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 2o19_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRLFIAEKPS LARAIADVLP KPHRKGDGFI ECGNGQVVTW CIGHLLEQAQ DATA SEQUENCE PDAYDSRYAR WNLADLPIVP EKWQLQPRPS VTKQLNVIKR FLHEASEIVH DATA SEQUENCE AGDPDREGQL LVDEVLDYLQ LAPEKRQQVQ RCLINDLNPQ AVERAIDRLR DATA SEQUENCE SNSEFVPLCV SALARARADW LYGINMTRAY TILGRNAGYQ GVLSVGRVQT DATA SEQUENCE PVLGLVVRRD EEIENFVAKD FFEVKAHIVT PADERFTAIW QPSEACEPYQ DATA SEQUENCE DEEGRLLHRP LAEHVVNRIS GQPAIVTSYN DKRESESAPL PFSLSALQIE DATA SEQUENCE AAKRFGLSAQ NVLDICQKLY ETHKLITYPR SDCRYLPEEH FAGRHAVMNA DATA SEQUENCE ISVHAPDLLP QPVVDPDIRN RCWDDKKVDA HHAIIPTARS SAINLTENEA DATA SEQUENCE KVYNLIARQY LMQFCPDAVF RKCVIELDIA KGKFVAKARF LAEAGWRTLL DATA SEQUENCE GSKERDEEND GTPLPVVAKG DELLCEKGEV VERQTQPPRH FTDATLLSAM DATA SEQUENCE TGIARFVQDK DLKKILRATD GLGTEATRAG IIELLFKRGF LTKKGRYIHS DATA SEQUENCE TDAGKALFHS LPEMATRPDM TAHWESVLTQ ISEKQCRYQD FMQPLVGTLY DATA SEQUENCE QLIDQAKRTP VRQFRGIVAP XXXXXXXXXX XXXXXXXXXX XXXXXXXGSG DATA SEQUENCE AIAHHHHH 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 0.000 176.318 176.300 0.030 0.000 1.140 1 M CA 0.000 55.328 55.300 0.047 0.000 0.988 1 M CB 0.000 32.641 32.600 0.069 0.000 1.302 2 R N 0.936 121.454 120.500 0.030 0.000 2.221 2 R HA 0.711 5.050 4.340 -0.000 0.000 0.327 2 R C -1.560 174.730 176.300 -0.016 0.000 1.033 2 R CA -0.781 55.304 56.100 -0.025 0.000 0.887 2 R CB 0.953 31.240 30.300 -0.022 0.000 1.057 2 R HN 0.793 nan 8.270 nan 0.000 0.455 3 L N 4.971 126.137 121.223 -0.095 0.000 2.296 3 L HA 0.437 4.777 4.340 -0.000 0.000 0.286 3 L C -1.355 175.415 176.870 -0.166 0.000 1.023 3 L CA -0.101 54.698 54.840 -0.068 0.000 0.812 3 L CB 0.848 42.877 42.059 -0.050 0.000 1.223 3 L HN 0.382 nan 8.230 nan 0.000 0.421 4 F N 5.869 125.790 119.950 -0.049 0.000 2.415 4 F HA 0.501 5.028 4.527 -0.000 0.000 0.348 4 F C 0.120 175.897 175.800 -0.039 0.000 1.119 4 F CA -0.287 57.696 58.000 -0.028 0.000 1.069 4 F CB 1.130 40.123 39.000 -0.012 0.000 1.124 4 F HN 0.263 nan 8.300 nan 0.000 0.472 5 I N 4.049 124.676 120.570 0.094 0.000 2.359 5 I HA 0.473 4.643 4.170 -0.000 0.000 0.284 5 I C 0.087 176.236 176.117 0.054 0.000 1.018 5 I CA -0.536 60.782 61.300 0.030 0.000 1.173 5 I CB 0.885 38.839 38.000 -0.075 0.000 1.326 5 I HN 0.650 nan 8.210 nan 0.000 0.462 6 A N 4.415 127.309 122.820 0.124 0.000 2.257 6 A HA 0.302 4.622 4.320 -0.000 0.000 0.289 6 A C 1.184 178.824 177.584 0.092 0.000 1.095 6 A CA -0.355 51.754 52.037 0.120 0.000 0.836 6 A CB 0.707 19.797 19.000 0.150 0.000 1.111 6 A HN 0.817 nan 8.150 nan 0.000 0.497 7 E N 0.045 120.282 120.200 0.062 0.000 2.150 7 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 7 E C 0.323 176.972 176.600 0.081 0.000 0.985 7 E CA 1.683 58.108 56.400 0.042 0.000 0.814 7 E CB -0.118 29.598 29.700 0.026 0.000 0.752 7 E HN 0.612 nan 8.360 nan 0.000 0.466 8 K N -3.286 117.170 120.400 0.094 0.000 2.579 8 K HA 0.291 4.611 4.320 -0.000 0.000 0.284 8 K C -2.646 173.892 176.600 -0.104 0.000 0.990 8 K CA -1.588 54.730 56.287 0.052 0.000 0.880 8 K CB 1.395 33.919 32.500 0.040 0.000 1.488 8 K HN -0.395 nan 8.250 nan 0.000 0.425 9 P HA -0.312 nan 4.420 nan 0.000 0.215 9 P C 1.484 178.481 177.300 -0.504 0.000 1.163 9 P CA 2.390 64.943 63.100 -0.911 0.000 0.894 9 P CB 0.025 31.248 31.700 -0.796 0.000 0.791 10 S N -1.063 114.477 115.700 -0.267 0.000 2.382 10 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 10 S C 1.942 176.480 174.600 -0.104 0.000 1.027 10 S CA 1.215 59.319 58.200 -0.160 0.000 0.991 10 S CB -1.550 61.616 63.200 -0.056 0.000 0.823 10 S HN 0.026 nan 8.310 nan 0.000 0.469 11 L N 1.646 122.829 121.223 -0.067 0.000 2.109 11 L HA 0.266 4.606 4.340 -0.000 0.000 0.207 11 L C 2.702 179.544 176.870 -0.047 0.000 1.086 11 L CA 1.407 56.227 54.840 -0.034 0.000 0.760 11 L CB -0.990 41.065 42.059 -0.006 0.000 0.910 11 L HN 0.368 nan 8.230 nan 0.000 0.437 12 A N -0.192 122.600 122.820 -0.047 0.000 1.883 12 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 12 A C 2.421 179.957 177.584 -0.080 0.000 1.186 12 A CA 1.919 53.957 52.037 0.003 0.000 0.624 12 A CB -0.587 18.509 19.000 0.160 0.000 0.822 12 A HN 0.471 nan 8.150 nan 0.000 0.444 13 R N -0.706 119.703 120.500 -0.151 0.000 2.091 13 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 13 R C 2.468 178.690 176.300 -0.132 0.000 1.136 13 R CA 1.261 57.269 56.100 -0.153 0.000 0.959 13 R CB -0.489 29.704 30.300 -0.178 0.000 0.856 13 R HN 0.533 nan 8.270 nan 0.000 0.437 14 A N 1.008 123.766 122.820 -0.103 0.000 1.933 14 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 14 A C 2.101 179.614 177.584 -0.119 0.000 1.175 14 A CA 1.245 53.232 52.037 -0.083 0.000 0.628 14 A CB -0.408 18.567 19.000 -0.042 0.000 0.814 14 A HN 0.201 nan 8.150 nan 0.000 0.444 15 I N -0.436 120.043 120.570 -0.152 0.000 2.286 15 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 15 I C 2.917 178.851 176.117 -0.304 0.000 1.104 15 I CA 0.875 62.026 61.300 -0.247 0.000 1.397 15 I CB -0.381 37.427 38.000 -0.321 0.000 1.072 15 I HN 0.306 nan 8.210 nan 0.000 0.417 16 A N 0.390 123.046 122.820 -0.273 0.000 1.940 16 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 16 A C 2.078 179.346 177.584 -0.527 0.000 1.176 16 A CA 2.104 53.920 52.037 -0.368 0.000 0.631 16 A CB -0.674 18.162 19.000 -0.274 0.000 0.814 16 A HN 0.392 nan 8.150 nan 0.000 0.446 17 D N -0.632 119.584 120.400 -0.306 0.000 2.190 17 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 17 D C 1.623 177.868 176.300 -0.092 0.000 0.992 17 D CA 1.461 55.355 54.000 -0.177 0.000 0.854 17 D CB 0.091 40.836 40.800 -0.092 0.000 0.936 17 D HN 0.219 nan 8.370 nan 0.000 0.462 18 V N 0.017 119.857 119.914 -0.122 0.000 3.621 18 V HA 0.133 4.253 4.120 -0.000 0.000 0.263 18 V C 1.186 177.264 176.094 -0.026 0.000 1.272 18 V CA -0.038 62.232 62.300 -0.051 0.000 1.080 18 V CB 0.600 32.384 31.823 -0.065 0.000 0.816 18 V HN 0.049 nan 8.190 nan 0.000 0.451 19 L N 1.166 122.340 121.223 -0.082 0.000 2.466 19 L HA 0.267 4.607 4.340 -0.000 0.000 0.257 19 L C -2.075 174.923 176.870 0.213 0.000 1.189 19 L CA -1.582 53.256 54.840 -0.002 0.000 0.813 19 L CB 0.116 42.119 42.059 -0.094 0.000 1.118 19 L HN 0.053 nan 8.230 nan 0.000 0.471 20 P HA 0.022 nan 4.420 nan 0.000 0.264 20 P C -0.839 176.550 177.300 0.148 0.000 1.193 20 P CA 0.109 63.292 63.100 0.139 0.000 0.763 20 P CB 0.353 32.103 31.700 0.084 0.000 0.810 21 K N 4.339 124.696 120.400 -0.071 0.000 2.230 21 K HA 0.173 4.492 4.320 -0.000 0.000 0.253 21 K C -1.824 174.709 176.600 -0.112 0.000 1.008 21 K CA -1.077 55.005 56.287 -0.342 0.000 0.910 21 K CB -0.341 31.949 32.500 -0.351 0.000 0.994 21 K HN 0.442 nan 8.250 nan 0.000 0.495 22 P HA 0.137 nan 4.420 nan 0.000 0.281 22 P C -1.266 175.998 177.300 -0.059 0.000 1.249 22 P CA -0.197 62.806 63.100 -0.162 0.000 0.810 22 P CB 0.503 32.172 31.700 -0.051 0.000 1.008 23 H N 0.815 119.899 119.070 0.023 0.000 2.700 23 H HA 0.303 4.859 4.556 -0.000 0.000 0.269 23 H C 0.480 175.825 175.328 0.030 0.000 1.222 23 H CA -0.728 55.335 56.048 0.025 0.000 1.254 23 H CB 0.808 30.575 29.762 0.009 0.000 1.413 23 H HN 0.084 nan 8.280 nan 0.000 0.507 24 R N 3.266 123.863 120.500 0.163 0.000 2.221 24 R HA 0.163 4.503 4.340 -0.000 0.000 0.327 24 R C -0.629 175.721 176.300 0.083 0.000 1.033 24 R CA -0.558 55.609 56.100 0.112 0.000 0.887 24 R CB 0.501 30.876 30.300 0.124 0.000 1.057 24 R HN 0.596 nan 8.270 nan 0.000 0.455 25 K N 1.707 122.123 120.400 0.027 0.000 2.322 25 K HA 0.314 4.634 4.320 -0.000 0.000 0.283 25 K C 0.336 176.834 176.600 -0.170 0.000 1.042 25 K CA -0.132 56.127 56.287 -0.047 0.000 0.958 25 K CB 1.407 33.888 32.500 -0.031 0.000 0.984 25 K HN 0.704 nan 8.250 nan 0.000 0.473 26 G N 1.140 109.655 108.800 -0.474 0.000 2.714 26 G HA2 0.206 4.166 3.960 -0.000 0.000 0.292 26 G HA3 0.206 4.166 3.960 -0.000 0.000 0.292 26 G C -1.325 173.181 174.900 -0.658 0.000 1.308 26 G CA -0.766 43.798 45.100 -0.892 0.000 0.964 26 G HN 0.715 nan 8.290 nan 0.000 0.484 27 D N -0.673 119.457 120.400 -0.450 0.000 2.339 27 D HA 0.408 5.048 4.640 -0.000 0.000 0.241 27 D C 1.041 177.279 176.300 -0.103 0.000 1.183 27 D CA 0.288 54.204 54.000 -0.141 0.000 0.859 27 D CB 0.929 41.723 40.800 -0.009 0.000 1.067 27 D HN 1.270 nan 8.370 nan 0.000 0.484 28 G N 2.099 110.864 108.800 -0.057 0.000 2.213 28 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.236 28 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.236 28 G C 0.011 174.447 174.900 -0.773 0.000 0.991 28 G CA 0.337 45.259 45.100 -0.298 0.000 0.629 28 G HN 0.749 nan 8.290 nan 0.000 0.517 29 F N -1.288 118.384 119.950 -0.464 0.000 2.685 29 F HA 0.856 5.383 4.527 -0.000 0.000 0.315 29 F C -0.858 174.945 175.800 0.005 0.000 1.126 29 F CA -2.164 55.586 58.000 -0.416 0.000 0.950 29 F CB 1.138 39.917 39.000 -0.368 0.000 1.360 29 F HN 0.051 nan 8.300 nan 0.000 0.469 30 I N 1.238 121.944 120.570 0.227 0.000 2.534 30 I HA 0.296 4.466 4.170 -0.000 0.000 0.288 30 I C -1.137 175.110 176.117 0.217 0.000 1.077 30 I CA -0.535 60.881 61.300 0.193 0.000 1.051 30 I CB 2.153 40.249 38.000 0.160 0.000 1.234 30 I HN 0.738 nan 8.210 nan 0.000 0.425 31 E N 5.348 125.703 120.200 0.259 0.000 2.174 31 E HA 0.488 4.838 4.350 -0.000 0.000 0.282 31 E C -1.381 175.325 176.600 0.176 0.000 0.992 31 E CA -0.483 56.044 56.400 0.211 0.000 0.803 31 E CB 1.234 31.090 29.700 0.261 0.000 1.090 31 E HN 0.613 nan 8.360 nan 0.000 0.396 32 C N 2.969 122.360 119.300 0.153 0.000 2.562 32 C HA 0.664 5.124 4.460 -0.000 0.000 0.332 32 C C 0.808 175.888 174.990 0.150 0.000 1.201 32 C CA -0.812 58.327 59.018 0.201 0.000 1.803 32 C CB 1.121 28.957 27.740 0.161 0.000 2.328 32 C HN 0.892 nan 8.230 nan 0.000 0.500 33 G N 0.912 109.795 108.800 0.139 0.000 2.544 33 G HA2 0.343 4.303 3.960 -0.000 0.000 0.242 33 G HA3 0.343 4.303 3.960 -0.000 0.000 0.242 33 G C 0.369 175.320 174.900 0.085 0.000 1.247 33 G CA 0.372 45.525 45.100 0.087 0.000 0.840 33 G HN 1.057 nan 8.290 nan 0.000 0.578 34 N N -0.260 118.481 118.700 0.070 0.000 2.920 34 N HA -0.180 4.560 4.740 -0.000 0.000 0.247 34 N C 0.998 176.553 175.510 0.075 0.000 1.123 34 N CA 1.214 54.304 53.050 0.066 0.000 0.711 34 N CB -1.210 37.317 38.487 0.067 0.000 1.065 34 N HN 2.048 nan 8.380 nan 0.000 0.554 35 G N 0.711 109.556 108.800 0.075 0.000 2.338 35 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.296 35 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.296 35 G C -0.401 174.555 174.900 0.093 0.000 1.040 35 G CA 0.689 45.836 45.100 0.077 0.000 1.004 35 G HN 0.515 nan 8.290 nan 0.000 0.509 36 Q N -0.698 119.166 119.800 0.107 0.000 2.327 36 Q HA 0.585 4.925 4.340 -0.000 0.000 0.270 36 Q C -0.447 175.618 176.000 0.107 0.000 1.022 36 Q CA -0.646 55.239 55.803 0.137 0.000 0.773 36 Q CB 2.730 31.561 28.738 0.155 0.000 1.251 36 Q HN 0.246 nan 8.270 nan 0.000 0.457 37 V N 2.629 122.592 119.914 0.082 0.000 2.540 37 V HA 0.486 4.606 4.120 -0.000 0.000 0.302 37 V C -0.002 176.108 176.094 0.027 0.000 1.035 37 V CA -0.902 61.382 62.300 -0.027 0.000 0.873 37 V CB 2.023 33.672 31.823 -0.290 0.000 0.992 37 V HN 0.579 nan 8.190 nan 0.000 0.428 38 V N 1.807 121.739 119.914 0.031 0.000 2.483 38 V HA 0.898 5.018 4.120 -0.000 0.000 0.295 38 V C -0.191 175.917 176.094 0.023 0.000 1.035 38 V CA -0.072 62.282 62.300 0.090 0.000 0.896 38 V CB 1.433 33.301 31.823 0.076 0.000 0.986 38 V HN 0.863 nan 8.190 nan 0.000 0.447 39 T N 3.863 118.414 114.554 -0.005 0.000 2.831 39 T HA 0.857 5.207 4.350 -0.000 0.000 0.287 39 T C -1.812 172.938 174.700 0.083 0.000 1.070 39 T CA -0.381 61.620 62.100 -0.164 0.000 1.010 39 T CB 1.796 70.440 68.868 -0.372 0.000 1.264 39 T HN 1.220 nan 8.240 nan 0.000 0.532 40 W N 0.088 121.388 121.300 0.000 0.000 3.217 40 W HA 0.720 5.380 4.660 -0.000 0.000 0.323 40 W C -0.977 175.537 176.519 -0.008 0.000 1.216 40 W CA -1.091 56.249 57.345 -0.009 0.000 1.194 40 W CB -0.132 29.323 29.460 -0.008 0.000 1.397 40 W HN 0.646 nan 8.180 nan 0.000 0.537 41 C N 2.034 121.448 119.300 0.191 0.000 2.560 41 C HA 0.546 5.006 4.460 -0.000 0.000 0.334 41 C C 0.775 175.914 174.990 0.249 0.000 1.404 41 C CA -0.397 58.698 59.018 0.128 0.000 2.410 41 C CB 0.148 27.902 27.740 0.022 0.000 2.268 41 C HN 0.620 nan 8.230 nan 0.000 0.673 42 I N 1.881 122.552 120.570 0.168 0.000 2.905 42 I HA 0.410 4.580 4.170 -0.000 0.000 0.297 42 I C 0.880 177.059 176.117 0.104 0.000 1.358 42 I CA 0.362 61.758 61.300 0.160 0.000 0.975 42 I CB -0.500 37.604 38.000 0.173 0.000 1.857 42 I HN 1.039 nan 8.210 nan 0.000 0.612 43 G N 2.727 111.574 108.800 0.078 0.000 2.547 43 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.271 43 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.271 43 G C -0.068 174.832 174.900 0.000 0.000 1.209 43 G CA -0.371 44.762 45.100 0.054 0.000 0.959 43 G HN 0.569 nan 8.290 nan 0.000 0.563 44 H N 0.916 120.014 119.070 0.047 0.000 2.767 44 H HA 0.360 4.916 4.556 -0.000 0.000 0.316 44 H C 1.431 176.767 175.328 0.014 0.000 1.059 44 H CA 0.488 56.552 56.048 0.027 0.000 1.461 44 H CB 0.931 30.710 29.762 0.029 0.000 1.475 44 H HN 0.347 nan 8.280 nan 0.000 0.531 45 L N 3.585 124.855 121.223 0.078 0.000 2.416 45 L HA 0.124 4.464 4.340 -0.000 0.000 0.216 45 L C 0.411 177.271 176.870 -0.016 0.000 1.098 45 L CA 0.562 55.416 54.840 0.023 0.000 0.840 45 L CB 0.261 42.310 42.059 -0.018 0.000 0.981 45 L HN 0.272 nan 8.230 nan 0.000 0.462 46 L N -0.425 120.801 121.223 0.004 0.000 2.322 46 L HA 0.441 4.781 4.340 -0.000 0.000 0.269 46 L C -0.369 176.504 176.870 0.006 0.000 1.012 46 L CA -0.544 54.254 54.840 -0.071 0.000 0.815 46 L CB 1.853 43.815 42.059 -0.163 0.000 1.295 46 L HN 0.017 nan 8.230 nan 0.000 0.438 47 E N 0.374 120.564 120.200 -0.016 0.000 2.367 47 E HA 0.344 4.694 4.350 -0.000 0.000 0.273 47 E C -1.594 175.029 176.600 0.038 0.000 0.903 47 E CA -1.103 55.304 56.400 0.011 0.000 0.764 47 E CB 1.454 31.180 29.700 0.044 0.000 1.252 47 E HN 0.347 nan 8.360 nan 0.000 0.446 48 Q N 0.829 120.664 119.800 0.058 0.000 2.283 48 Q HA 0.152 4.492 4.340 -0.000 0.000 0.301 48 Q C 0.182 176.273 176.000 0.150 0.000 1.063 48 Q CA 0.293 56.138 55.803 0.070 0.000 0.952 48 Q CB 0.616 29.346 28.738 -0.013 0.000 1.166 48 Q HN 0.624 nan 8.270 nan 0.000 0.381 49 A N 3.937 126.835 122.820 0.129 0.000 2.507 49 A HA 0.025 4.345 4.320 -0.000 0.000 0.235 49 A C 0.489 178.276 177.584 0.337 0.000 1.070 49 A CA -0.261 51.854 52.037 0.129 0.000 0.768 49 A CB 0.350 19.303 19.000 -0.078 0.000 1.011 49 A HN 0.635 nan 8.150 nan 0.000 0.502 50 Q N 0.846 120.828 119.800 0.304 0.000 2.417 50 Q HA 0.129 4.469 4.340 -0.000 0.000 0.241 50 Q C -1.547 174.768 176.000 0.524 0.000 1.008 50 Q CA -1.586 54.470 55.803 0.422 0.000 0.901 50 Q CB -0.149 28.749 28.738 0.266 0.000 1.259 50 Q HN 0.449 nan 8.270 nan 0.000 0.489 51 P HA -0.246 nan 4.420 nan 0.000 0.218 51 P C 0.456 178.090 177.300 0.557 0.000 1.154 51 P CA 2.053 65.515 63.100 0.603 0.000 0.872 51 P CB 0.033 31.888 31.700 0.258 0.000 0.790 52 D N -0.928 119.683 120.400 0.353 0.000 2.309 52 D HA -0.101 4.539 4.640 -0.000 0.000 0.212 52 D C 1.717 178.083 176.300 0.109 0.000 0.968 52 D CA 0.944 55.083 54.000 0.232 0.000 0.882 52 D CB -0.782 40.119 40.800 0.169 0.000 0.918 52 D HN 0.124 nan 8.370 nan 0.000 0.503 53 A N -0.023 122.819 122.820 0.038 0.000 1.972 53 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 53 A C 1.603 179.011 177.584 -0.294 0.000 1.169 53 A CA 0.893 52.812 52.037 -0.198 0.000 0.635 53 A CB -0.981 17.794 19.000 -0.375 0.000 0.810 53 A HN 0.423 nan 8.150 nan 0.000 0.446 54 Y N -1.002 119.359 120.300 0.101 0.000 2.420 54 Y HA 0.151 4.701 4.550 -0.000 0.000 0.292 54 Y C 0.469 176.340 175.900 -0.049 0.000 1.119 54 Y CA 0.787 58.925 58.100 0.064 0.000 1.229 54 Y CB 0.523 39.072 38.460 0.149 0.000 1.026 54 Y HN 0.264 nan 8.280 nan 0.000 0.554 55 D N -1.286 119.087 120.400 -0.045 0.000 2.633 55 D HA 0.029 4.669 4.640 -0.000 0.000 0.198 55 D C 0.448 176.603 176.300 -0.241 0.000 1.273 55 D CA 0.375 54.178 54.000 -0.328 0.000 0.830 55 D CB 1.173 41.426 40.800 -0.911 0.000 1.771 55 D HN 0.045 nan 8.370 nan 0.000 0.547 56 S N 3.414 119.037 115.700 -0.127 0.000 2.419 56 S HA -0.215 4.255 4.470 -0.000 0.000 0.235 56 S C 1.744 176.327 174.600 -0.028 0.000 1.019 56 S CA 0.746 58.920 58.200 -0.044 0.000 0.982 56 S CB -0.017 63.167 63.200 -0.027 0.000 0.789 56 S HN 0.465 nan 8.310 nan 0.000 0.490 57 R N 0.589 121.027 120.500 -0.102 0.000 2.170 57 R HA 0.026 4.366 4.340 -0.000 0.000 0.242 57 R C 1.674 178.040 176.300 0.111 0.000 1.145 57 R CA 1.632 57.712 56.100 -0.035 0.000 0.984 57 R CB -0.815 29.431 30.300 -0.091 0.000 0.869 57 R HN 0.711 nan 8.270 nan 0.000 0.455 58 Y N -1.077 119.270 120.300 0.080 0.000 2.616 58 Y HA -0.032 4.518 4.550 -0.000 0.000 0.296 58 Y C 2.111 178.083 175.900 0.121 0.000 1.154 58 Y CA -0.228 57.922 58.100 0.084 0.000 1.325 58 Y CB 0.047 38.565 38.460 0.097 0.000 1.007 58 Y HN 0.165 nan 8.280 nan 0.000 0.542 59 A N 0.676 123.660 122.820 0.273 0.000 1.969 59 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 59 A C 1.346 179.119 177.584 0.315 0.000 1.169 59 A CA 0.419 52.613 52.037 0.262 0.000 0.635 59 A CB -0.367 18.736 19.000 0.173 0.000 0.810 59 A HN 0.212 nan 8.150 nan 0.000 0.445 60 R N -0.122 120.530 120.500 0.253 0.000 2.401 60 R HA 0.151 4.491 4.340 -0.000 0.000 0.299 60 R C -1.524 174.991 176.300 0.357 0.000 1.064 60 R CA -0.555 55.693 56.100 0.246 0.000 1.000 60 R CB -0.202 30.191 30.300 0.155 0.000 0.973 60 R HN 0.372 nan 8.270 nan 0.000 0.438 61 W N 5.442 126.754 121.300 0.020 0.000 2.358 61 W HA 0.253 4.913 4.660 -0.000 0.000 0.307 61 W C -0.140 176.372 176.519 -0.012 0.000 1.203 61 W CA -0.399 56.942 57.345 -0.006 0.000 1.279 61 W CB 0.105 29.551 29.460 -0.023 0.000 1.264 61 W HN 0.738 nan 8.180 nan 0.000 0.474 62 N N 1.028 119.811 118.700 0.137 0.000 2.396 62 N HA 0.314 5.054 4.740 -0.000 0.000 0.275 62 N C -0.200 175.304 175.510 -0.010 0.000 1.218 62 N CA -0.826 52.266 53.050 0.070 0.000 0.812 62 N CB 0.947 39.477 38.487 0.073 0.000 1.592 62 N HN 0.233 nan 8.380 nan 0.000 0.480 63 L N 0.039 121.249 121.223 -0.021 0.000 2.093 63 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 63 L C 2.290 179.125 176.870 -0.058 0.000 1.085 63 L CA 1.737 56.540 54.840 -0.062 0.000 0.755 63 L CB -0.610 41.414 42.059 -0.057 0.000 0.904 63 L HN 0.855 nan 8.230 nan 0.000 0.435 64 A N -0.430 122.377 122.820 -0.022 0.000 1.969 64 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 64 A C 1.778 179.358 177.584 -0.006 0.000 1.169 64 A CA 1.674 53.707 52.037 -0.006 0.000 0.635 64 A CB -0.356 18.654 19.000 0.018 0.000 0.810 64 A HN 0.336 nan 8.150 nan 0.000 0.445 65 D N -0.412 119.984 120.400 -0.008 0.000 2.363 65 D HA 0.108 4.748 4.640 -0.000 0.000 0.220 65 D C 0.361 176.570 176.300 -0.152 0.000 0.994 65 D CA 0.344 54.337 54.000 -0.010 0.000 0.890 65 D CB -0.026 40.809 40.800 0.058 0.000 0.906 65 D HN 0.387 nan 8.370 nan 0.000 0.530 66 L N 2.164 123.283 121.223 -0.174 0.000 2.334 66 L HA 0.306 4.646 4.340 -0.000 0.000 0.277 66 L C -2.024 174.687 176.870 -0.265 0.000 1.075 66 L CA -1.839 52.849 54.840 -0.255 0.000 0.804 66 L CB 1.081 42.991 42.059 -0.248 0.000 1.174 66 L HN -0.220 nan 8.230 nan 0.000 0.438 67 P HA 0.210 nan 4.420 nan 0.000 0.277 67 P C -0.734 176.341 177.300 -0.374 0.000 1.240 67 P CA -0.210 62.632 63.100 -0.429 0.000 0.798 67 P CB 1.104 32.450 31.700 -0.590 0.000 0.979 68 I N 2.102 122.447 120.570 -0.375 0.000 2.312 68 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 68 I C -0.154 175.845 176.117 -0.196 0.000 1.031 68 I CA -0.511 60.556 61.300 -0.389 0.000 1.293 68 I CB 1.084 38.728 38.000 -0.594 0.000 1.403 68 I HN -0.005 nan 8.210 nan 0.000 0.484 69 V N 8.272 128.083 119.914 -0.171 0.000 2.419 69 V HA 0.300 4.420 4.120 -0.000 0.000 0.287 69 V C -2.172 173.720 176.094 -0.336 0.000 1.017 69 V CA -1.545 60.667 62.300 -0.146 0.000 0.844 69 V CB 1.344 33.178 31.823 0.018 0.000 1.011 69 V HN 0.596 nan 8.190 nan 0.000 0.429 70 P HA 0.149 nan 4.420 nan 0.000 0.268 70 P C 0.824 177.785 177.300 -0.565 0.000 1.205 70 P CA -0.116 62.381 63.100 -1.005 0.000 0.771 70 P CB 0.708 31.162 31.700 -2.076 0.000 0.858 71 E N 1.432 121.466 120.200 -0.277 0.000 2.276 71 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 71 E C 0.329 176.899 176.600 -0.050 0.000 0.983 71 E CA 0.430 56.772 56.400 -0.097 0.000 0.861 71 E CB 0.113 29.801 29.700 -0.020 0.000 0.817 71 E HN 0.070 nan 8.360 nan 0.000 0.485 72 K N 0.831 121.191 120.400 -0.066 0.000 2.535 72 K HA 0.199 4.519 4.320 -0.000 0.000 0.253 72 K C -1.982 174.674 176.600 0.094 0.000 0.953 72 K CA -0.673 55.644 56.287 0.051 0.000 0.863 72 K CB 0.415 32.959 32.500 0.072 0.000 1.111 72 K HN 0.006 nan 8.250 nan 0.000 0.431 73 W N 2.904 124.263 121.300 0.098 0.000 2.170 73 W HA 0.290 4.950 4.660 -0.000 0.000 0.336 73 W C 0.419 177.032 176.519 0.157 0.000 1.283 73 W CA 0.111 57.535 57.345 0.131 0.000 1.224 73 W CB 0.723 30.188 29.460 0.008 0.000 1.132 73 W HN 0.394 nan 8.180 nan 0.000 0.571 74 Q N 1.982 122.034 119.800 0.420 0.000 2.387 74 Q HA 0.671 5.011 4.340 -0.000 0.000 0.273 74 Q C -0.945 175.161 176.000 0.175 0.000 1.089 74 Q CA -1.071 54.841 55.803 0.181 0.000 0.824 74 Q CB 2.260 30.948 28.738 -0.083 0.000 1.367 74 Q HN 0.332 nan 8.270 nan 0.000 0.443 75 L N 1.086 122.405 121.223 0.159 0.000 2.333 75 L HA 0.539 4.879 4.340 -0.000 0.000 0.269 75 L C -0.536 176.378 176.870 0.073 0.000 1.010 75 L CA -0.801 54.098 54.840 0.099 0.000 0.818 75 L CB 1.904 44.007 42.059 0.072 0.000 1.306 75 L HN 0.490 nan 8.230 nan 0.000 0.430 76 Q N 1.326 121.120 119.800 -0.010 0.000 2.394 76 Q HA 0.448 4.788 4.340 -0.000 0.000 0.273 76 Q C -2.550 173.371 176.000 -0.133 0.000 1.089 76 Q CA -2.043 53.745 55.803 -0.025 0.000 0.812 76 Q CB 2.449 31.201 28.738 0.024 0.000 1.353 76 Q HN 0.277 nan 8.270 nan 0.000 0.438 77 P HA -0.013 nan 4.420 nan 0.000 0.268 77 P C -0.960 176.314 177.300 -0.043 0.000 1.204 77 P CA -0.048 62.969 63.100 -0.137 0.000 0.768 77 P CB 0.484 32.142 31.700 -0.071 0.000 0.842 78 R N 6.315 126.799 120.500 -0.026 0.000 2.370 78 R HA 0.099 4.439 4.340 -0.000 0.000 0.309 78 R C -1.283 175.029 176.300 0.019 0.000 1.059 78 R CA -1.251 54.858 56.100 0.014 0.000 0.981 78 R CB 0.235 30.555 30.300 0.033 0.000 0.972 78 R HN 0.378 nan 8.270 nan 0.000 0.437 79 P HA -0.119 nan 4.420 nan 0.000 0.221 79 P C 1.025 178.344 177.300 0.032 0.000 1.150 79 P CA 0.836 63.953 63.100 0.029 0.000 0.800 79 P CB 0.215 31.934 31.700 0.032 0.000 0.787 80 S N 0.007 115.728 115.700 0.036 0.000 2.374 80 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 80 S C 1.458 176.084 174.600 0.042 0.000 1.037 80 S CA 1.869 60.092 58.200 0.039 0.000 1.024 80 S CB -0.697 62.529 63.200 0.044 0.000 0.861 80 S HN 0.118 nan 8.310 nan 0.000 0.456 81 V N -1.099 118.840 119.914 0.042 0.000 2.915 81 V HA 0.431 4.551 4.120 -0.000 0.000 0.364 81 V C 1.304 177.418 176.094 0.033 0.000 1.354 81 V CA 0.339 62.667 62.300 0.047 0.000 1.213 81 V CB -0.344 31.515 31.823 0.059 0.000 1.268 81 V HN 0.281 nan 8.190 nan 0.000 0.557 82 T N 0.918 115.489 114.554 0.029 0.000 2.833 82 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 82 T C 1.754 176.469 174.700 0.025 0.000 1.054 82 T CA 2.449 64.562 62.100 0.023 0.000 1.135 82 T CB -0.028 68.855 68.868 0.026 0.000 0.869 82 T HN 0.655 nan 8.240 nan 0.000 0.466 83 K N 0.642 121.059 120.400 0.030 0.000 2.097 83 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 83 K C 2.293 178.907 176.600 0.022 0.000 1.050 83 K CA 1.486 57.791 56.287 0.030 0.000 0.938 83 K CB -0.381 32.141 32.500 0.037 0.000 0.718 83 K HN 0.251 nan 8.250 nan 0.000 0.442 84 Q N 0.098 119.909 119.800 0.018 0.000 2.167 84 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 84 Q C 1.829 177.813 176.000 -0.026 0.000 0.970 84 Q CA 1.252 57.045 55.803 -0.016 0.000 0.855 84 Q CB -0.341 28.391 28.738 -0.011 0.000 0.911 84 Q HN 0.369 nan 8.270 nan 0.000 0.438 85 L N 0.580 121.799 121.223 -0.007 0.000 2.083 85 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 85 L C 1.546 178.418 176.870 0.004 0.000 1.083 85 L CA 1.829 56.666 54.840 -0.004 0.000 0.752 85 L CB -0.641 41.418 42.059 0.001 0.000 0.899 85 L HN 0.292 nan 8.230 nan 0.000 0.433 86 N N -1.075 117.630 118.700 0.009 0.000 2.396 86 N HA -0.085 4.655 4.740 -0.000 0.000 0.180 86 N C 1.827 177.326 175.510 -0.017 0.000 1.028 86 N CA 1.193 54.243 53.050 0.000 0.000 0.893 86 N CB 0.087 38.579 38.487 0.009 0.000 0.967 86 N HN 0.260 nan 8.380 nan 0.000 0.440 87 V N 1.742 121.657 119.914 0.002 0.000 2.358 87 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 87 V C 2.221 178.366 176.094 0.085 0.000 1.047 87 V CA 1.151 63.476 62.300 0.041 0.000 1.035 87 V CB -0.246 31.613 31.823 0.059 0.000 0.658 87 V HN 0.208 nan 8.190 nan 0.000 0.452 88 I N -0.302 120.281 120.570 0.021 0.000 2.394 88 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 88 I C 2.497 178.601 176.117 -0.022 0.000 1.136 88 I CA 1.500 62.812 61.300 0.019 0.000 1.425 88 I CB -0.369 37.610 38.000 -0.034 0.000 1.079 88 I HN 0.259 nan 8.210 nan 0.000 0.425 89 K N 1.154 121.516 120.400 -0.064 0.000 2.026 89 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 89 K C 2.326 178.775 176.600 -0.252 0.000 1.048 89 K CA 1.266 57.459 56.287 -0.156 0.000 0.929 89 K CB -0.032 32.413 32.500 -0.090 0.000 0.713 89 K HN 0.101 nan 8.250 nan 0.000 0.439 90 R N -0.586 119.793 120.500 -0.201 0.000 2.115 90 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 90 R C 2.204 178.274 176.300 -0.384 0.000 1.133 90 R CA 2.327 58.228 56.100 -0.330 0.000 0.935 90 R CB -0.485 29.503 30.300 -0.520 0.000 0.853 90 R HN 0.246 nan 8.270 nan 0.000 0.433 91 F N -0.262 119.587 119.950 -0.169 0.000 2.456 91 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 91 F C 2.049 177.770 175.800 -0.133 0.000 1.104 91 F CA 0.107 58.018 58.000 -0.147 0.000 1.435 91 F CB -0.069 38.840 39.000 -0.151 0.000 1.078 91 F HN 0.012 nan 8.300 nan 0.000 0.546 92 L N -0.369 120.824 121.223 -0.051 0.000 2.141 92 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 92 L C 2.081 178.902 176.870 -0.080 0.000 1.094 92 L CA 1.990 56.767 54.840 -0.105 0.000 0.763 92 L CB -0.925 41.018 42.059 -0.193 0.000 0.908 92 L HN 0.219 nan 8.230 nan 0.000 0.437 93 H N -1.734 117.325 119.070 -0.019 0.000 2.448 93 H HA 0.014 4.570 4.556 -0.000 0.000 0.292 93 H C 1.648 176.958 175.328 -0.030 0.000 1.035 93 H CA 0.746 56.774 56.048 -0.033 0.000 1.349 93 H CB 0.297 30.027 29.762 -0.054 0.000 1.425 93 H HN 0.391 nan 8.280 nan 0.000 0.539 94 E N 0.757 120.997 120.200 0.068 0.000 2.427 94 E HA 0.092 4.442 4.350 -0.000 0.000 0.196 94 E C 0.360 176.998 176.600 0.063 0.000 1.028 94 E CA 0.040 56.465 56.400 0.042 0.000 0.864 94 E CB 0.412 30.114 29.700 0.004 0.000 0.813 94 E HN 0.323 nan 8.360 nan 0.000 0.514 95 A N 0.685 123.544 122.820 0.066 0.000 2.325 95 A HA 0.353 4.673 4.320 -0.000 0.000 0.333 95 A C 0.825 178.427 177.584 0.030 0.000 1.155 95 A CA -0.390 51.675 52.037 0.047 0.000 0.814 95 A CB 1.185 20.207 19.000 0.037 0.000 1.206 95 A HN 0.094 nan 8.150 nan 0.000 0.482 96 S N 0.495 116.205 115.700 0.017 0.000 2.539 96 S HA 0.203 4.673 4.470 -0.000 0.000 0.226 96 S C 0.101 174.698 174.600 -0.005 0.000 1.054 96 S CA 0.158 58.364 58.200 0.010 0.000 0.910 96 S CB -0.098 63.108 63.200 0.011 0.000 0.818 96 S HN 0.690 nan 8.310 nan 0.000 0.490 97 E N 1.492 121.679 120.200 -0.022 0.000 2.199 97 E HA 0.563 4.913 4.350 -0.000 0.000 0.265 97 E C -1.195 175.350 176.600 -0.093 0.000 0.882 97 E CA -0.614 55.754 56.400 -0.052 0.000 0.759 97 E CB 1.801 31.465 29.700 -0.060 0.000 1.148 97 E HN 0.246 nan 8.360 nan 0.000 0.412 98 I N 2.825 123.337 120.570 -0.097 0.000 2.404 98 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 98 I C -0.526 175.487 176.117 -0.173 0.000 0.992 98 I CA -1.009 60.218 61.300 -0.122 0.000 1.149 98 I CB 1.497 39.461 38.000 -0.060 0.000 1.315 98 I HN 0.304 nan 8.210 nan 0.000 0.446 99 V N 5.191 124.936 119.914 -0.280 0.000 2.378 99 V HA 0.221 4.341 4.120 -0.000 0.000 0.288 99 V C 0.091 176.131 176.094 -0.090 0.000 1.016 99 V CA -0.709 61.419 62.300 -0.285 0.000 0.840 99 V CB 1.540 32.929 31.823 -0.724 0.000 0.994 99 V HN 0.621 nan 8.190 nan 0.000 0.431 100 H N 4.938 123.941 119.070 -0.112 0.000 3.015 100 H HA 0.438 4.994 4.556 -0.000 0.000 0.268 100 H C 0.339 175.632 175.328 -0.057 0.000 1.113 100 H CA 0.012 56.014 56.048 -0.077 0.000 1.479 100 H CB 1.329 31.032 29.762 -0.099 0.000 1.493 100 H HN 0.722 nan 8.280 nan 0.000 0.486 101 A N 4.815 127.755 122.820 0.199 0.000 2.827 101 A HA 0.354 4.674 4.320 -0.000 0.000 0.300 101 A C 1.203 178.869 177.584 0.137 0.000 1.237 101 A CA -0.028 52.120 52.037 0.185 0.000 0.964 101 A CB -0.248 18.877 19.000 0.209 0.000 1.143 101 A HN 0.739 nan 8.150 nan 0.000 0.554 102 G N -0.392 108.543 108.800 0.224 0.000 2.606 102 G HA2 0.376 4.336 3.960 -0.000 0.000 0.252 102 G HA3 0.376 4.336 3.960 -0.000 0.000 0.252 102 G C -0.563 174.364 174.900 0.045 0.000 1.206 102 G CA -0.347 44.828 45.100 0.125 0.000 0.861 102 G HN 0.313 nan 8.290 nan 0.000 0.561 103 D N 0.694 121.091 120.400 -0.006 0.000 2.548 103 D HA 0.058 4.698 4.640 -0.000 0.000 0.231 103 D C -1.638 174.605 176.300 -0.095 0.000 1.142 103 D CA -0.259 53.692 54.000 -0.082 0.000 0.866 103 D CB 0.972 41.732 40.800 -0.067 0.000 1.190 103 D HN 0.090 nan 8.370 nan 0.000 0.469 104 P HA 0.080 nan 4.420 nan 0.000 0.231 104 P C -1.020 176.232 177.300 -0.079 0.000 1.756 104 P CA -0.127 62.897 63.100 -0.127 0.000 0.990 104 P CB -0.102 31.527 31.700 -0.118 0.000 1.973 105 D N -1.613 118.756 120.400 -0.050 0.000 2.665 105 D HA 0.196 4.836 4.640 -0.000 0.000 0.287 105 D C 1.129 177.437 176.300 0.014 0.000 1.266 105 D CA -1.051 52.946 54.000 -0.005 0.000 0.830 105 D CB 0.724 41.532 40.800 0.013 0.000 1.356 105 D HN -0.220 nan 8.370 nan 0.000 0.437 106 R N -0.331 120.187 120.500 0.030 0.000 2.168 106 R HA -0.288 4.052 4.340 -0.000 0.000 0.242 106 R C 1.558 177.890 176.300 0.053 0.000 1.123 106 R CA 2.680 58.802 56.100 0.036 0.000 0.928 106 R CB -0.258 30.064 30.300 0.037 0.000 0.873 106 R HN 0.591 nan 8.270 nan 0.000 0.434 107 E N -1.316 118.928 120.200 0.074 0.000 2.216 107 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 107 E C 1.682 178.322 176.600 0.066 0.000 0.988 107 E CA 1.177 57.645 56.400 0.112 0.000 0.834 107 E CB -0.147 29.645 29.700 0.153 0.000 0.772 107 E HN 0.527 nan 8.360 nan 0.000 0.479 108 G N 0.081 108.910 108.800 0.047 0.000 2.422 108 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 108 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 108 G C 1.591 176.550 174.900 0.098 0.000 1.140 108 G CA 0.776 45.900 45.100 0.039 0.000 0.775 108 G HN 0.214 nan 8.290 nan 0.000 0.545 109 Q N -0.111 119.725 119.800 0.059 0.000 2.020 109 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 109 Q C 2.374 178.476 176.000 0.169 0.000 0.982 109 Q CA 1.101 56.943 55.803 0.064 0.000 0.838 109 Q CB -0.621 28.114 28.738 -0.005 0.000 0.899 109 Q HN 0.351 nan 8.270 nan 0.000 0.423 110 L N 0.197 121.479 121.223 0.097 0.000 2.056 110 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 110 L C 2.059 178.958 176.870 0.049 0.000 1.078 110 L CA 1.809 56.705 54.840 0.094 0.000 0.749 110 L CB -0.944 41.187 42.059 0.120 0.000 0.901 110 L HN 0.520 nan 8.230 nan 0.000 0.433 111 L N -3.434 117.744 121.223 -0.075 0.000 2.275 111 L HA -0.015 4.325 4.340 -0.000 0.000 0.215 111 L C 1.946 178.703 176.870 -0.189 0.000 1.119 111 L CA 1.384 56.037 54.840 -0.312 0.000 0.790 111 L CB -1.110 40.524 42.059 -0.709 0.000 0.919 111 L HN -0.010 nan 8.230 nan 0.000 0.443 112 V N -0.215 119.598 119.914 -0.168 0.000 2.492 112 V HA -0.067 4.053 4.120 -0.000 0.000 0.241 112 V C 2.197 178.197 176.094 -0.157 0.000 1.041 112 V CA 1.387 63.505 62.300 -0.303 0.000 1.057 112 V CB -0.499 30.793 31.823 -0.886 0.000 0.711 112 V HN 0.314 nan 8.190 nan 0.000 0.468 113 D N 0.793 121.193 120.400 -0.000 0.000 2.158 113 D HA -0.224 4.416 4.640 -0.000 0.000 0.197 113 D C 2.192 178.517 176.300 0.042 0.000 0.995 113 D CA 1.796 55.838 54.000 0.070 0.000 0.846 113 D CB -0.158 40.715 40.800 0.123 0.000 0.941 113 D HN 0.783 nan 8.370 nan 0.000 0.456 114 E N 0.178 120.402 120.200 0.041 0.000 2.204 114 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 114 E C 1.966 178.610 176.600 0.072 0.000 0.989 114 E CA 0.724 57.161 56.400 0.061 0.000 0.824 114 E CB -0.174 29.573 29.700 0.078 0.000 0.756 114 E HN 0.079 nan 8.360 nan 0.000 0.477 115 V N 1.606 121.537 119.914 0.029 0.000 2.453 115 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 115 V C 2.399 178.529 176.094 0.060 0.000 1.048 115 V CA 1.177 63.499 62.300 0.037 0.000 1.049 115 V CB -0.386 31.422 31.823 -0.024 0.000 0.672 115 V HN 0.294 nan 8.190 nan 0.000 0.457 116 L N -0.159 121.079 121.223 0.024 0.000 2.046 116 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 116 L C 2.286 179.183 176.870 0.046 0.000 1.077 116 L CA 1.843 56.697 54.840 0.024 0.000 0.747 116 L CB -0.779 41.289 42.059 0.015 0.000 0.896 116 L HN 0.336 nan 8.230 nan 0.000 0.432 117 D N -0.974 119.463 120.400 0.062 0.000 2.097 117 D HA -0.227 4.413 4.640 -0.000 0.000 0.195 117 D C 1.939 178.285 176.300 0.077 0.000 0.989 117 D CA 1.235 55.270 54.000 0.058 0.000 0.827 117 D CB -0.229 40.606 40.800 0.058 0.000 0.966 117 D HN 0.240 nan 8.370 nan 0.000 0.456 118 Y N 0.914 121.215 120.300 0.003 0.000 2.145 118 Y HA -0.096 4.454 4.550 -0.000 0.000 0.286 118 Y C 1.893 177.794 175.900 0.002 0.000 1.145 118 Y CA 1.367 59.471 58.100 0.007 0.000 1.148 118 Y CB -0.146 38.321 38.460 0.012 0.000 0.981 118 Y HN -0.058 nan 8.280 nan 0.000 0.507 119 L N 0.064 121.374 121.223 0.144 0.000 2.465 119 L HA -0.129 4.211 4.340 -0.000 0.000 0.224 119 L C 0.916 177.780 176.870 -0.010 0.000 1.145 119 L CA 1.062 55.929 54.840 0.046 0.000 0.834 119 L CB -0.476 41.612 42.059 0.048 0.000 0.944 119 L HN 0.345 nan 8.230 nan 0.000 0.451 120 Q N 1.263 121.060 119.800 -0.005 0.000 2.464 120 Q HA -0.175 4.165 4.340 -0.000 0.000 0.304 120 Q C -0.041 175.971 176.000 0.021 0.000 1.401 120 Q CA -0.017 55.780 55.803 -0.010 0.000 0.806 120 Q CB -1.050 27.659 28.738 -0.048 0.000 1.134 120 Q HN 0.571 nan 8.270 nan 0.000 0.411 121 L N -1.679 119.560 121.223 0.026 0.000 2.473 121 L HA 0.603 4.943 4.340 -0.000 0.000 0.268 121 L C 0.560 177.459 176.870 0.047 0.000 1.215 121 L CA 0.030 54.897 54.840 0.046 0.000 0.823 121 L CB 0.474 42.546 42.059 0.023 0.000 1.099 121 L HN 0.236 nan 8.230 nan 0.000 0.483 122 A N 3.218 126.075 122.820 0.062 0.000 2.580 122 A HA 0.180 4.500 4.320 -0.000 0.000 0.244 122 A C -1.430 176.174 177.584 0.032 0.000 1.045 122 A CA -0.587 51.474 52.037 0.040 0.000 0.761 122 A CB -0.550 18.473 19.000 0.039 0.000 0.962 122 A HN 0.834 nan 8.150 nan 0.000 0.512 123 P HA -0.198 nan 4.420 nan 0.000 0.218 123 P C 1.426 178.744 177.300 0.031 0.000 1.149 123 P CA 1.498 64.617 63.100 0.030 0.000 0.817 123 P CB 0.134 31.850 31.700 0.025 0.000 0.785 124 E N 1.063 121.276 120.200 0.023 0.000 2.077 124 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 124 E C 1.584 178.198 176.600 0.023 0.000 0.989 124 E CA 1.424 57.836 56.400 0.020 0.000 0.800 124 E CB -0.873 28.835 29.700 0.013 0.000 0.746 124 E HN 0.255 nan 8.360 nan 0.000 0.452 125 K N 0.502 120.917 120.400 0.025 0.000 2.155 125 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 125 K C 2.419 179.035 176.600 0.028 0.000 1.052 125 K CA 0.840 57.141 56.287 0.024 0.000 0.948 125 K CB -0.104 32.412 32.500 0.026 0.000 0.728 125 K HN 0.007 nan 8.250 nan 0.000 0.448 126 R N 1.189 121.711 120.500 0.036 0.000 2.152 126 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 126 R C 1.269 177.605 176.300 0.061 0.000 1.117 126 R CA 1.432 57.561 56.100 0.048 0.000 0.981 126 R CB 0.157 30.490 30.300 0.055 0.000 0.870 126 R HN 0.182 nan 8.270 nan 0.000 0.451 127 Q N -0.964 118.868 119.800 0.053 0.000 2.247 127 Q HA 0.061 4.401 4.340 -0.000 0.000 0.204 127 Q C 0.388 176.412 176.000 0.040 0.000 0.872 127 Q CA 0.038 55.874 55.803 0.055 0.000 0.951 127 Q CB 1.150 29.916 28.738 0.046 0.000 1.099 127 Q HN 0.207 nan 8.270 nan 0.000 0.501 128 Q N -0.520 119.299 119.800 0.031 0.000 2.219 128 Q HA 0.156 4.496 4.340 -0.000 0.000 0.209 128 Q C -0.131 175.876 176.000 0.011 0.000 0.854 128 Q CA 0.040 55.854 55.803 0.018 0.000 0.960 128 Q CB 0.895 29.639 28.738 0.009 0.000 1.116 128 Q HN 0.094 nan 8.270 nan 0.000 0.500 129 V N 2.857 122.786 119.914 0.024 0.000 2.555 129 V HA 0.056 4.176 4.120 -0.000 0.000 0.286 129 V C 0.557 176.664 176.094 0.022 0.000 1.044 129 V CA 0.037 62.348 62.300 0.018 0.000 1.026 129 V CB 0.913 32.763 31.823 0.045 0.000 0.981 129 V HN 0.161 nan 8.190 nan 0.000 0.480 130 Q N 3.329 123.122 119.800 -0.013 0.000 2.248 130 Q HA 0.622 4.962 4.340 -0.000 0.000 0.263 130 Q C -0.551 175.434 176.000 -0.025 0.000 1.007 130 Q CA -1.032 54.762 55.803 -0.015 0.000 0.877 130 Q CB 2.387 31.092 28.738 -0.055 0.000 1.315 130 Q HN 0.569 nan 8.270 nan 0.000 0.454 131 R N 0.223 120.697 120.500 -0.043 0.000 2.439 131 R HA 0.361 4.701 4.340 -0.000 0.000 0.310 131 R C -1.590 174.650 176.300 -0.099 0.000 0.955 131 R CA -0.244 55.760 56.100 -0.161 0.000 0.853 131 R CB 0.925 30.956 30.300 -0.447 0.000 1.171 131 R HN 0.723 nan 8.270 nan 0.000 0.449 132 C N 6.873 126.143 119.300 -0.050 0.000 2.273 132 C HA 0.563 5.023 4.460 -0.000 0.000 0.328 132 C C -0.752 174.211 174.990 -0.046 0.000 1.275 132 C CA -0.759 58.271 59.018 0.021 0.000 1.704 132 C CB -0.560 27.272 27.740 0.152 0.000 2.326 132 C HN 0.794 nan 8.230 nan 0.000 0.517 133 L N 8.054 129.248 121.223 -0.049 0.000 2.277 133 L HA 0.564 4.904 4.340 -0.000 0.000 0.284 133 L C -0.367 176.482 176.870 -0.036 0.000 1.028 133 L CA -0.093 54.704 54.840 -0.071 0.000 0.835 133 L CB 0.640 42.656 42.059 -0.070 0.000 1.215 133 L HN 0.549 nan 8.230 nan 0.000 0.425 134 I N 3.509 124.049 120.570 -0.050 0.000 2.418 134 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 134 I C 0.107 176.172 176.117 -0.086 0.000 1.008 134 I CA -0.321 60.955 61.300 -0.040 0.000 1.104 134 I CB 1.775 39.761 38.000 -0.024 0.000 1.264 134 I HN 0.626 nan 8.210 nan 0.000 0.438 135 N N 2.640 121.306 118.700 -0.056 0.000 2.143 135 N HA 0.090 4.830 4.740 -0.000 0.000 0.222 135 N C -0.516 175.014 175.510 0.034 0.000 1.264 135 N CA -0.147 52.849 53.050 -0.089 0.000 0.897 135 N CB 0.584 39.014 38.487 -0.096 0.000 1.092 135 N HN 0.485 nan 8.380 nan 0.000 0.516 136 D N 0.386 120.841 120.400 0.091 0.000 2.696 136 D HA 0.276 4.916 4.640 -0.000 0.000 0.251 136 D C 0.074 176.477 176.300 0.171 0.000 1.188 136 D CA -0.576 53.547 54.000 0.205 0.000 0.876 136 D CB 1.590 42.524 40.800 0.224 0.000 1.334 136 D HN -0.140 nan 8.370 nan 0.000 0.540 137 L N 2.769 124.122 121.223 0.217 0.000 2.599 137 L HA 0.193 4.533 4.340 -0.000 0.000 0.230 137 L C 0.253 177.189 176.870 0.109 0.000 1.141 137 L CA 0.223 55.148 54.840 0.142 0.000 0.877 137 L CB -1.009 41.144 42.059 0.156 0.000 1.009 137 L HN 0.347 nan 8.230 nan 0.000 0.447 138 N N 0.274 119.049 118.700 0.124 0.000 2.454 138 N HA 0.007 4.747 4.740 -0.000 0.000 0.260 138 N C -1.601 173.930 175.510 0.036 0.000 1.218 138 N CA -1.098 51.980 53.050 0.048 0.000 0.904 138 N CB 0.373 38.865 38.487 0.009 0.000 1.065 138 N HN -0.085 nan 8.380 nan 0.000 0.462 139 P HA -0.148 nan 4.420 nan 0.000 0.220 139 P C 0.796 178.104 177.300 0.013 0.000 1.144 139 P CA 1.205 64.309 63.100 0.007 0.000 0.800 139 P CB 0.413 32.114 31.700 0.003 0.000 0.772 140 Q N -0.371 119.441 119.800 0.020 0.000 1.990 140 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 140 Q C 2.363 178.384 176.000 0.036 0.000 0.980 140 Q CA 2.074 57.893 55.803 0.027 0.000 0.832 140 Q CB -1.484 27.272 28.738 0.030 0.000 0.897 140 Q HN 0.158 nan 8.270 nan 0.000 0.427 141 A N -0.138 122.713 122.820 0.050 0.000 1.972 141 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 141 A C 2.280 179.888 177.584 0.039 0.000 1.169 141 A CA 1.412 53.483 52.037 0.057 0.000 0.635 141 A CB -0.676 18.376 19.000 0.086 0.000 0.810 141 A HN 0.226 nan 8.150 nan 0.000 0.446 142 V N -0.078 119.853 119.914 0.028 0.000 2.358 142 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 142 V C 2.366 178.461 176.094 0.000 0.000 1.047 142 V CA 2.178 64.481 62.300 0.005 0.000 1.035 142 V CB -0.798 31.015 31.823 -0.017 0.000 0.658 142 V HN 0.622 nan 8.190 nan 0.000 0.452 143 E N -0.027 120.177 120.200 0.006 0.000 2.051 143 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 143 E C 2.444 179.060 176.600 0.027 0.000 0.991 143 E CA 1.256 57.663 56.400 0.012 0.000 0.799 143 E CB -0.194 29.515 29.700 0.015 0.000 0.748 143 E HN 0.420 nan 8.360 nan 0.000 0.449 144 R N 0.483 121.001 120.500 0.030 0.000 2.105 144 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 144 R C 2.132 178.456 176.300 0.040 0.000 1.135 144 R CA 1.356 57.477 56.100 0.036 0.000 0.967 144 R CB -0.121 30.202 30.300 0.037 0.000 0.861 144 R HN 0.142 nan 8.270 nan 0.000 0.442 145 A N 0.757 123.601 122.820 0.039 0.000 1.854 145 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 145 A C 2.114 179.738 177.584 0.067 0.000 1.192 145 A CA 1.187 53.251 52.037 0.044 0.000 0.611 145 A CB -0.437 18.583 19.000 0.034 0.000 0.832 145 A HN 0.320 nan 8.150 nan 0.000 0.442 146 I N 0.248 120.862 120.570 0.073 0.000 2.335 146 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 146 I C 1.124 177.308 176.117 0.112 0.000 1.129 146 I CA 1.366 62.742 61.300 0.126 0.000 1.402 146 I CB -0.377 37.673 38.000 0.083 0.000 1.069 146 I HN 0.229 nan 8.210 nan 0.000 0.424 147 D N 0.732 121.176 120.400 0.074 0.000 2.355 147 D HA 0.010 4.650 4.640 -0.000 0.000 0.218 147 D C 0.906 177.241 176.300 0.058 0.000 1.004 147 D CA 0.684 54.721 54.000 0.063 0.000 0.880 147 D CB 0.061 40.890 40.800 0.048 0.000 0.911 147 D HN 0.275 nan 8.370 nan 0.000 0.528 148 R N 0.691 121.227 120.500 0.060 0.000 2.886 148 R HA 0.286 4.626 4.340 -0.000 0.000 0.306 148 R C -0.365 175.971 176.300 0.060 0.000 1.300 148 R CA -0.325 55.808 56.100 0.054 0.000 1.441 148 R CB 0.691 31.020 30.300 0.047 0.000 1.328 148 R HN 0.028 nan 8.270 nan 0.000 0.629 149 L N 1.546 122.807 121.223 0.064 0.000 2.453 149 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 149 L C 0.797 177.705 176.870 0.065 0.000 1.182 149 L CA 0.312 55.187 54.840 0.059 0.000 0.858 149 L CB 0.286 42.374 42.059 0.048 0.000 1.120 149 L HN 0.107 nan 8.230 nan 0.000 0.474 150 R N 1.007 121.559 120.500 0.086 0.000 2.856 150 R HA 0.406 4.746 4.340 -0.000 0.000 0.258 150 R C -0.453 175.930 176.300 0.138 0.000 1.066 150 R CA -0.753 55.429 56.100 0.136 0.000 1.045 150 R CB 1.827 32.279 30.300 0.254 0.000 1.178 150 R HN 0.575 nan 8.270 nan 0.000 0.499 151 S N 0.380 116.164 115.700 0.141 0.000 2.528 151 S HA -0.007 4.463 4.470 -0.000 0.000 0.277 151 S C 0.885 175.615 174.600 0.218 0.000 1.297 151 S CA -0.396 57.878 58.200 0.124 0.000 1.052 151 S CB 0.562 63.809 63.200 0.078 0.000 0.917 151 S HN 0.607 nan 8.310 nan 0.000 0.492 152 N N 3.132 121.932 118.700 0.165 0.000 2.453 152 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 152 N C 1.678 177.341 175.510 0.256 0.000 1.041 152 N CA 1.514 54.684 53.050 0.200 0.000 0.900 152 N CB -0.097 38.439 38.487 0.081 0.000 0.961 152 N HN 0.615 nan 8.380 nan 0.000 0.443 153 S N -0.604 115.201 115.700 0.175 0.000 2.453 153 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 153 S C 1.390 176.036 174.600 0.076 0.000 1.005 153 S CA 0.549 58.833 58.200 0.140 0.000 0.949 153 S CB -0.292 62.975 63.200 0.112 0.000 0.774 153 S HN 0.402 nan 8.310 nan 0.000 0.510 154 E N 0.175 120.381 120.200 0.010 0.000 2.478 154 E HA 0.023 4.373 4.350 -0.000 0.000 0.198 154 E C 0.201 176.514 176.600 -0.478 0.000 1.046 154 E CA 0.656 56.896 56.400 -0.267 0.000 0.870 154 E CB -0.200 29.237 29.700 -0.438 0.000 0.818 154 E HN 0.690 nan 8.360 nan 0.000 0.527 155 F N -1.204 118.718 119.950 -0.046 0.000 2.682 155 F HA 0.084 4.611 4.527 -0.000 0.000 0.308 155 F C 1.714 177.475 175.800 -0.064 0.000 1.093 155 F CA -0.244 57.712 58.000 -0.073 0.000 1.244 155 F CB 0.289 39.220 39.000 -0.116 0.000 1.052 155 F HN -0.169 nan 8.300 nan 0.000 0.573 156 V N 2.022 121.988 119.914 0.087 0.000 2.231 156 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 156 V C -0.142 175.910 176.094 -0.070 0.000 1.058 156 V CA 2.463 64.793 62.300 0.051 0.000 1.022 156 V CB -1.439 30.462 31.823 0.130 0.000 0.640 156 V HN 0.174 nan 8.190 nan 0.000 0.445 157 P HA -0.187 nan 4.420 nan 0.000 0.216 157 P C 1.872 179.044 177.300 -0.213 0.000 1.157 157 P CA 1.389 64.269 63.100 -0.368 0.000 0.880 157 P CB -0.145 31.387 31.700 -0.280 0.000 0.791 158 L N -0.364 120.805 121.223 -0.090 0.000 2.012 158 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 158 L C 2.513 179.367 176.870 -0.027 0.000 1.073 158 L CA 1.859 56.683 54.840 -0.026 0.000 0.748 158 L CB -1.581 40.522 42.059 0.072 0.000 0.891 158 L HN 0.072 nan 8.230 nan 0.000 0.431 159 C N -1.646 117.650 119.300 -0.007 0.000 2.413 159 C HA -0.135 4.325 4.460 -0.000 0.000 0.276 159 C C 2.703 177.675 174.990 -0.029 0.000 1.248 159 C CA 1.118 60.136 59.018 0.001 0.000 1.742 159 C CB -0.903 26.852 27.740 0.026 0.000 2.017 159 C HN 0.483 nan 8.230 nan 0.000 0.481 160 V N 1.727 121.603 119.914 -0.064 0.000 2.295 160 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 160 V C 2.835 178.900 176.094 -0.048 0.000 1.049 160 V CA 2.481 64.756 62.300 -0.042 0.000 1.024 160 V CB -0.993 30.792 31.823 -0.064 0.000 0.648 160 V HN 0.819 nan 8.190 nan 0.000 0.447 161 S N 1.083 116.717 115.700 -0.109 0.000 2.382 161 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 161 S C 2.058 176.562 174.600 -0.159 0.000 1.027 161 S CA 1.518 59.616 58.200 -0.169 0.000 0.991 161 S CB -0.486 62.628 63.200 -0.144 0.000 0.823 161 S HN 0.572 nan 8.310 nan 0.000 0.469 162 A N 1.751 124.523 122.820 -0.079 0.000 1.898 162 A HA 0.225 4.545 4.320 -0.000 0.000 0.216 162 A C 2.345 179.898 177.584 -0.052 0.000 1.181 162 A CA 1.173 53.186 52.037 -0.040 0.000 0.620 162 A CB -0.850 18.157 19.000 0.011 0.000 0.819 162 A HN 0.535 nan 8.150 nan 0.000 0.442 163 L N -0.722 120.470 121.223 -0.052 0.000 2.042 163 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 163 L C 3.101 179.907 176.870 -0.106 0.000 1.076 163 L CA 1.241 56.037 54.840 -0.073 0.000 0.749 163 L CB -0.457 41.570 42.059 -0.054 0.000 0.893 163 L HN 0.477 nan 8.230 nan 0.000 0.432 164 A N -0.468 122.285 122.820 -0.112 0.000 1.858 164 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 164 A C 2.404 179.782 177.584 -0.344 0.000 1.190 164 A CA 1.510 53.378 52.037 -0.282 0.000 0.617 164 A CB -0.594 18.034 19.000 -0.619 0.000 0.827 164 A HN 0.277 nan 8.150 nan 0.000 0.443 165 R N -0.050 120.261 120.500 -0.315 0.000 2.103 165 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 165 R C 2.409 178.744 176.300 0.058 0.000 1.132 165 R CA 2.037 58.081 56.100 -0.093 0.000 0.925 165 R CB -1.127 29.169 30.300 -0.007 0.000 0.842 165 R HN 0.449 nan 8.270 nan 0.000 0.430 166 A N 1.150 123.973 122.820 0.006 0.000 1.884 166 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 166 A C 2.394 179.975 177.584 -0.004 0.000 1.197 166 A CA 2.120 54.167 52.037 0.016 0.000 0.637 166 A CB -0.597 18.372 19.000 -0.052 0.000 0.827 166 A HN 0.437 nan 8.150 nan 0.000 0.450 167 R N -0.854 119.524 120.500 -0.204 0.000 2.096 167 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 167 R C 2.474 178.812 176.300 0.063 0.000 1.127 167 R CA 1.236 57.078 56.100 -0.429 0.000 0.968 167 R CB -0.433 29.329 30.300 -0.897 0.000 0.861 167 R HN 0.548 nan 8.270 nan 0.000 0.440 168 A N 1.006 123.884 122.820 0.098 0.000 1.898 168 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 168 A C 1.613 179.499 177.584 0.503 0.000 1.181 168 A CA 1.543 53.686 52.037 0.177 0.000 0.620 168 A CB -0.309 18.543 19.000 -0.248 0.000 0.819 168 A HN 0.159 nan 8.150 nan 0.000 0.442 169 D N -1.569 119.170 120.400 0.565 0.000 2.144 169 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 169 D C 1.619 178.203 176.300 0.473 0.000 0.984 169 D CA 1.096 55.438 54.000 0.570 0.000 0.834 169 D CB -0.282 40.767 40.800 0.415 0.000 0.955 169 D HN 0.746 nan 8.370 nan 0.000 0.465 170 W N 1.493 122.946 121.300 0.255 0.000 2.379 170 W HA -0.111 4.549 4.660 -0.000 0.000 0.307 170 W C 2.191 178.853 176.519 0.238 0.000 1.200 170 W CA 0.910 58.396 57.345 0.235 0.000 1.297 170 W CB -0.364 29.262 29.460 0.276 0.000 1.140 170 W HN -0.115 nan 8.180 nan 0.000 0.507 171 L N -0.532 121.137 121.223 0.744 0.000 2.012 171 L HA -0.284 4.056 4.340 -0.000 0.000 0.210 171 L C 2.440 179.457 176.870 0.245 0.000 1.073 171 L CA 1.907 57.060 54.840 0.522 0.000 0.748 171 L CB -1.153 41.207 42.059 0.502 0.000 0.891 171 L HN 0.147 nan 8.230 nan 0.000 0.431 172 Y N 0.164 120.589 120.300 0.208 0.000 2.206 172 Y HA -0.057 4.493 4.550 -0.000 0.000 0.292 172 Y C 2.285 178.203 175.900 0.031 0.000 1.123 172 Y CA 1.483 59.670 58.100 0.145 0.000 1.142 172 Y CB -0.499 38.128 38.460 0.278 0.000 1.006 172 Y HN 0.024 nan 8.280 nan 0.000 0.518 173 G N 0.585 109.409 108.800 0.041 0.000 2.394 173 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.215 173 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.215 173 G C 1.524 176.270 174.900 -0.257 0.000 1.165 173 G CA 0.976 46.010 45.100 -0.109 0.000 0.784 173 G HN 0.346 nan 8.290 nan 0.000 0.535 174 I N 1.773 122.116 120.570 -0.378 0.000 2.202 174 I HA -0.121 4.049 4.170 -0.000 0.000 0.242 174 I C 2.361 178.159 176.117 -0.532 0.000 1.091 174 I CA 0.912 61.867 61.300 -0.575 0.000 1.368 174 I CB -1.106 36.264 38.000 -1.049 0.000 1.058 174 I HN 0.156 nan 8.210 nan 0.000 0.410 175 N N 0.608 119.034 118.700 -0.457 0.000 2.106 175 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 175 N C 1.828 177.147 175.510 -0.320 0.000 1.029 175 N CA 1.254 54.069 53.050 -0.392 0.000 0.848 175 N CB -0.148 38.154 38.487 -0.309 0.000 1.007 175 N HN 0.264 nan 8.380 nan 0.000 0.423 176 M N 0.785 120.192 119.600 -0.322 0.000 2.213 176 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 176 M C 1.872 178.122 176.300 -0.083 0.000 1.062 176 M CA 1.100 56.275 55.300 -0.209 0.000 1.105 176 M CB -1.325 30.996 32.600 -0.466 0.000 1.385 176 M HN 0.076 nan 8.290 nan 0.000 0.417 177 T N 0.251 114.697 114.554 -0.181 0.000 2.777 177 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 177 T C 2.001 176.634 174.700 -0.111 0.000 1.040 177 T CA 1.052 63.097 62.100 -0.092 0.000 1.141 177 T CB -0.127 68.685 68.868 -0.093 0.000 0.868 177 T HN 0.376 nan 8.240 nan 0.000 0.444 178 R N 0.993 121.262 120.500 -0.385 0.000 2.083 178 R HA -0.034 4.306 4.340 -0.000 0.000 0.237 178 R C 2.830 179.039 176.300 -0.151 0.000 1.137 178 R CA 1.437 57.258 56.100 -0.465 0.000 0.951 178 R CB -0.561 29.290 30.300 -0.747 0.000 0.851 178 R HN 0.365 nan 8.270 nan 0.000 0.434 179 A N 0.406 123.120 122.820 -0.177 0.000 1.877 179 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 179 A C 1.903 179.317 177.584 -0.284 0.000 1.186 179 A CA 1.277 53.177 52.037 -0.229 0.000 0.620 179 A CB -0.715 18.116 19.000 -0.281 0.000 0.822 179 A HN 0.331 nan 8.150 nan 0.000 0.443 180 Y N 0.424 120.658 120.300 -0.110 0.000 2.314 180 Y HA -0.100 4.450 4.550 -0.000 0.000 0.293 180 Y C 2.938 178.738 175.900 -0.166 0.000 1.129 180 Y CA 1.553 59.569 58.100 -0.139 0.000 1.201 180 Y CB -0.808 37.589 38.460 -0.105 0.000 0.999 180 Y HN 0.263 nan 8.280 nan 0.000 0.541 181 T N 0.694 115.306 114.554 0.098 0.000 2.652 181 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 181 T C 1.986 176.717 174.700 0.052 0.000 1.039 181 T CA 1.935 64.119 62.100 0.140 0.000 1.153 181 T CB -0.592 68.494 68.868 0.363 0.000 0.863 181 T HN 0.221 nan 8.240 nan 0.000 0.428 182 I N 0.807 121.415 120.570 0.063 0.000 2.151 182 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 182 I C 2.333 178.407 176.117 -0.072 0.000 1.080 182 I CA 1.307 62.618 61.300 0.018 0.000 1.339 182 I CB -0.490 37.523 38.000 0.022 0.000 1.039 182 I HN 0.205 nan 8.210 nan 0.000 0.409 183 L N 0.223 121.340 121.223 -0.177 0.000 2.012 183 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 183 L C 2.712 179.395 176.870 -0.312 0.000 1.073 183 L CA 1.732 56.437 54.840 -0.225 0.000 0.748 183 L CB -1.304 40.574 42.059 -0.301 0.000 0.891 183 L HN 0.362 nan 8.230 nan 0.000 0.431 184 G N -0.421 108.068 108.800 -0.519 0.000 2.446 184 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 184 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 184 G C 1.714 176.600 174.900 -0.023 0.000 1.168 184 G CA 0.296 45.142 45.100 -0.424 0.000 0.771 184 G HN 0.179 nan 8.290 nan 0.000 0.551 185 R N 0.525 121.029 120.500 0.006 0.000 2.096 185 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 185 R C 2.112 178.432 176.300 0.033 0.000 1.127 185 R CA 0.922 57.043 56.100 0.036 0.000 0.968 185 R CB -0.689 29.619 30.300 0.013 0.000 0.861 185 R HN 0.300 nan 8.270 nan 0.000 0.440 186 N N 0.653 119.364 118.700 0.018 0.000 2.453 186 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 186 N C 1.050 176.598 175.510 0.063 0.000 1.041 186 N CA 1.021 54.090 53.050 0.032 0.000 0.900 186 N CB 0.181 38.682 38.487 0.023 0.000 0.961 186 N HN 0.216 nan 8.380 nan 0.000 0.443 187 A N -0.973 121.902 122.820 0.093 0.000 2.431 187 A HA 0.524 4.844 4.320 -0.000 0.000 0.239 187 A C 1.344 179.014 177.584 0.143 0.000 1.230 187 A CA 0.541 52.663 52.037 0.140 0.000 0.928 187 A CB 0.303 19.449 19.000 0.244 0.000 1.006 187 A HN 0.223 nan 8.150 nan 0.000 0.520 188 G N -1.874 106.999 108.800 0.122 0.000 2.184 188 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.206 188 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.206 188 G C -0.058 174.929 174.900 0.145 0.000 0.995 188 G CA 0.095 45.261 45.100 0.110 0.000 0.651 188 G HN 0.638 nan 8.290 nan 0.000 0.511 189 Y N 1.943 122.266 120.300 0.038 0.000 2.359 189 Y HA 0.530 5.080 4.550 -0.000 0.000 0.334 189 Y C 1.478 177.382 175.900 0.007 0.000 1.058 189 Y CA 0.349 58.471 58.100 0.037 0.000 1.244 189 Y CB 0.964 39.452 38.460 0.046 0.000 1.187 189 Y HN 0.200 nan 8.280 nan 0.000 0.510 190 Q N 3.439 122.969 119.800 -0.450 0.000 2.408 190 Q HA 0.140 4.480 4.340 -0.000 0.000 0.205 190 Q C 0.948 176.677 176.000 -0.451 0.000 0.919 190 Q CA 0.316 55.908 55.803 -0.351 0.000 0.932 190 Q CB 0.427 29.016 28.738 -0.249 0.000 1.058 190 Q HN 0.976 nan 8.270 nan 0.000 0.517 191 G N 0.061 108.293 108.800 -0.947 0.000 2.516 191 G HA2 0.320 4.280 3.960 -0.000 0.000 0.276 191 G HA3 0.320 4.280 3.960 -0.000 0.000 0.276 191 G C -0.576 174.316 174.900 -0.014 0.000 1.390 191 G CA -0.450 44.357 45.100 -0.489 0.000 1.050 191 G HN 0.025 nan 8.290 nan 0.000 0.519 192 V N 0.125 120.121 119.914 0.136 0.000 2.435 192 V HA 0.339 4.459 4.120 -0.000 0.000 0.290 192 V C -0.034 176.278 176.094 0.362 0.000 1.030 192 V CA -0.399 62.023 62.300 0.203 0.000 0.881 192 V CB 1.485 33.375 31.823 0.111 0.000 0.983 192 V HN 0.453 nan 8.190 nan 0.000 0.445 193 L N 5.304 126.739 121.223 0.353 0.000 2.360 193 L HA 0.368 4.708 4.340 -0.000 0.000 0.265 193 L C 0.563 177.601 176.870 0.279 0.000 1.066 193 L CA -0.108 54.957 54.840 0.374 0.000 0.929 193 L CB 1.009 43.166 42.059 0.163 0.000 1.306 193 L HN 0.785 nan 8.230 nan 0.000 0.434 194 S N 1.696 117.587 115.700 0.318 0.000 2.601 194 S HA 0.703 5.173 4.470 -0.000 0.000 0.271 194 S C -0.160 174.506 174.600 0.110 0.000 1.305 194 S CA -0.735 57.574 58.200 0.181 0.000 1.022 194 S CB 2.189 65.483 63.200 0.156 0.000 0.940 194 S HN 0.174 nan 8.310 nan 0.000 0.525 195 V N 1.134 121.045 119.914 -0.004 0.000 2.760 195 V HA 0.887 5.007 4.120 -0.000 0.000 0.309 195 V C 0.451 176.514 176.094 -0.051 0.000 1.077 195 V CA -0.204 62.048 62.300 -0.080 0.000 0.910 195 V CB 1.748 33.427 31.823 -0.240 0.000 1.008 195 V HN 1.294 nan 8.190 nan 0.000 0.424 196 G N 2.143 110.974 108.800 0.051 0.000 2.677 196 G HA2 0.491 4.451 3.960 -0.000 0.000 0.291 196 G HA3 0.491 4.451 3.960 -0.000 0.000 0.291 196 G C -0.000 175.023 174.900 0.206 0.000 1.435 196 G CA -0.547 44.650 45.100 0.160 0.000 0.826 196 G HN 0.649 nan 8.290 nan 0.000 0.491 197 R N -0.407 120.186 120.500 0.155 0.000 2.120 197 R HA -0.034 4.306 4.340 -0.000 0.000 0.234 197 R C 1.521 177.729 176.300 -0.154 0.000 1.123 197 R CA 2.070 58.069 56.100 -0.168 0.000 0.975 197 R CB -0.096 29.897 30.300 -0.512 0.000 0.866 197 R HN 0.321 nan 8.270 nan 0.000 0.446 198 V N 1.033 120.901 119.914 -0.076 0.000 2.521 198 V HA -0.149 3.971 4.120 -0.000 0.000 0.239 198 V C 2.363 178.433 176.094 -0.039 0.000 1.053 198 V CA 1.374 63.633 62.300 -0.070 0.000 1.073 198 V CB -0.184 31.610 31.823 -0.048 0.000 0.746 198 V HN 0.468 nan 8.190 nan 0.000 0.476 199 Q N 0.540 120.340 119.800 0.000 0.000 2.096 199 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 199 Q C 1.911 177.920 176.000 0.015 0.000 0.982 199 Q CA 2.475 58.291 55.803 0.021 0.000 0.850 199 Q CB -0.868 27.907 28.738 0.062 0.000 0.901 199 Q HN 0.551 nan 8.270 nan 0.000 0.422 200 T N 1.680 116.240 114.554 0.011 0.000 2.770 200 T HA -0.007 4.343 4.350 -0.000 0.000 0.263 200 T C -0.913 173.773 174.700 -0.022 0.000 1.039 200 T CA 1.099 63.195 62.100 -0.007 0.000 1.142 200 T CB -1.019 67.838 68.868 -0.019 0.000 0.868 200 T HN 0.314 nan 8.240 nan 0.000 0.435 201 P HA 0.025 nan 4.420 nan 0.000 0.222 201 P C 1.468 178.710 177.300 -0.096 0.000 1.147 201 P CA 0.437 63.502 63.100 -0.058 0.000 0.790 201 P CB -0.196 31.452 31.700 -0.086 0.000 0.780 202 V N -0.400 119.452 119.914 -0.103 0.000 2.379 202 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 202 V C 2.315 178.321 176.094 -0.147 0.000 1.044 202 V CA 1.327 63.535 62.300 -0.154 0.000 1.036 202 V CB -1.176 30.574 31.823 -0.122 0.000 0.664 202 V HN 0.066 nan 8.190 nan 0.000 0.453 203 L N 1.623 122.798 121.223 -0.080 0.000 2.079 203 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 203 L C 2.292 179.098 176.870 -0.108 0.000 1.081 203 L CA 2.460 57.254 54.840 -0.077 0.000 0.752 203 L CB -1.399 40.635 42.059 -0.042 0.000 0.896 203 L HN 0.272 nan 8.230 nan 0.000 0.433 204 G N -0.483 108.294 108.800 -0.039 0.000 2.421 204 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 204 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 204 G C 1.643 176.473 174.900 -0.117 0.000 1.171 204 G CA 1.034 46.145 45.100 0.018 0.000 0.775 204 G HN 0.450 nan 8.290 nan 0.000 0.543 205 L N 0.185 121.321 121.223 -0.145 0.000 2.021 205 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 205 L C 3.026 179.889 176.870 -0.012 0.000 1.074 205 L CA 1.016 55.758 54.840 -0.162 0.000 0.760 205 L CB -0.537 41.268 42.059 -0.423 0.000 0.889 205 L HN 0.142 nan 8.230 nan 0.000 0.433 206 V N -1.311 118.545 119.914 -0.096 0.000 2.323 206 V HA -0.201 3.919 4.120 -0.000 0.000 0.244 206 V C 2.361 178.417 176.094 -0.064 0.000 1.041 206 V CA 1.380 63.700 62.300 0.034 0.000 1.025 206 V CB -0.301 31.496 31.823 -0.043 0.000 0.656 206 V HN 0.187 nan 8.190 nan 0.000 0.451 207 V N 0.002 119.755 119.914 -0.268 0.000 2.332 207 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 207 V C 2.634 178.465 176.094 -0.438 0.000 1.055 207 V CA 2.110 64.134 62.300 -0.461 0.000 1.038 207 V CB -0.837 30.421 31.823 -0.942 0.000 0.651 207 V HN 0.445 nan 8.190 nan 0.000 0.450 208 R N -0.381 119.876 120.500 -0.405 0.000 2.081 208 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 208 R C 2.540 178.796 176.300 -0.073 0.000 1.131 208 R CA 1.638 57.620 56.100 -0.197 0.000 0.960 208 R CB -0.359 29.899 30.300 -0.069 0.000 0.856 208 R HN 0.300 nan 8.270 nan 0.000 0.436 209 R N 1.396 121.886 120.500 -0.017 0.000 2.091 209 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 209 R C 1.356 177.604 176.300 -0.088 0.000 1.136 209 R CA 2.012 58.078 56.100 -0.056 0.000 0.959 209 R CB -0.576 29.678 30.300 -0.077 0.000 0.856 209 R HN 0.165 nan 8.270 nan 0.000 0.437 210 D N 0.119 120.496 120.400 -0.037 0.000 2.117 210 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 210 D C 1.594 177.890 176.300 -0.007 0.000 0.987 210 D CA 1.480 55.484 54.000 0.008 0.000 0.829 210 D CB -0.089 40.735 40.800 0.040 0.000 0.961 210 D HN 0.499 nan 8.370 nan 0.000 0.460 211 E N 0.348 120.532 120.200 -0.027 0.000 2.216 211 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 211 E C 1.855 178.465 176.600 0.016 0.000 0.988 211 E CA 0.184 56.590 56.400 0.010 0.000 0.834 211 E CB 0.062 29.779 29.700 0.028 0.000 0.772 211 E HN 0.349 nan 8.360 nan 0.000 0.479 212 E N 0.932 121.130 120.200 -0.004 0.000 2.110 212 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 212 E C 2.007 178.620 176.600 0.021 0.000 0.988 212 E CA 0.715 57.125 56.400 0.017 0.000 0.804 212 E CB 0.056 29.751 29.700 -0.007 0.000 0.745 212 E HN 0.238 nan 8.360 nan 0.000 0.458 213 I N 0.815 121.346 120.570 -0.066 0.000 2.202 213 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 213 I C 2.205 178.327 176.117 0.009 0.000 1.091 213 I CA 1.197 62.430 61.300 -0.112 0.000 1.368 213 I CB -0.175 37.642 38.000 -0.305 0.000 1.058 213 I HN 0.080 nan 8.210 nan 0.000 0.410 214 E N 0.815 121.032 120.200 0.027 0.000 2.085 214 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 214 E C 1.529 178.169 176.600 0.066 0.000 0.994 214 E CA 1.227 57.659 56.400 0.053 0.000 0.801 214 E CB -0.162 29.569 29.700 0.051 0.000 0.743 214 E HN 0.462 nan 8.360 nan 0.000 0.453 215 N N 0.127 118.868 118.700 0.069 0.000 2.467 215 N HA -0.033 4.706 4.740 -0.000 0.000 0.184 215 N C -0.097 175.454 175.510 0.069 0.000 1.106 215 N CA 0.127 53.210 53.050 0.055 0.000 0.892 215 N CB -0.029 38.482 38.487 0.040 0.000 0.969 215 N HN 0.036 nan 8.380 nan 0.000 0.454 216 F N 2.491 122.419 119.950 -0.036 0.000 2.578 216 F HA 0.056 4.583 4.527 -0.000 0.000 0.376 216 F C 0.449 176.231 175.800 -0.030 0.000 1.085 216 F CA -0.625 57.351 58.000 -0.041 0.000 1.260 216 F CB 0.622 39.585 39.000 -0.061 0.000 1.095 216 F HN -0.222 nan 8.300 nan 0.000 0.573 217 V N 4.589 124.118 119.914 -0.640 0.000 2.378 217 V HA 0.813 4.933 4.120 -0.000 0.000 0.288 217 V C 0.078 175.780 176.094 -0.654 0.000 1.016 217 V CA -0.845 61.199 62.300 -0.427 0.000 0.840 217 V CB 0.369 32.049 31.823 -0.239 0.000 0.994 217 V HN 1.086 nan 8.190 nan 0.000 0.431 218 A N 4.432 127.110 122.820 -0.237 0.000 2.483 218 A HA 0.517 4.837 4.320 -0.000 0.000 0.238 218 A C 0.223 177.760 177.584 -0.078 0.000 1.070 218 A CA 0.016 52.035 52.037 -0.031 0.000 0.770 218 A CB 0.343 19.434 19.000 0.152 0.000 1.008 218 A HN 1.054 nan 8.150 nan 0.000 0.497 219 K N 1.501 121.893 120.400 -0.014 0.000 2.482 219 K HA 0.256 4.576 4.320 -0.000 0.000 0.251 219 K C -1.473 175.160 176.600 0.055 0.000 0.936 219 K CA -0.675 55.607 56.287 -0.009 0.000 0.791 219 K CB 1.212 33.682 32.500 -0.049 0.000 1.213 219 K HN 0.789 nan 8.250 nan 0.000 0.428 220 D N 5.049 125.444 120.400 -0.009 0.000 2.351 220 D HA 0.184 4.824 4.640 -0.000 0.000 0.251 220 D C -0.172 176.001 176.300 -0.212 0.000 1.137 220 D CA 0.403 54.307 54.000 -0.161 0.000 0.879 220 D CB 0.493 41.178 40.800 -0.191 0.000 1.181 220 D HN 0.362 nan 8.370 nan 0.000 0.448 221 F N -0.141 119.445 119.950 -0.606 0.000 2.675 221 F HA 0.768 5.295 4.527 -0.000 0.000 0.324 221 F C -1.613 173.654 175.800 -0.888 0.000 1.106 221 F CA -1.243 56.393 58.000 -0.607 0.000 0.970 221 F CB 1.283 40.164 39.000 -0.200 0.000 1.385 221 F HN 0.062 nan 8.300 nan 0.000 0.489 222 F N -0.003 119.986 119.950 0.064 0.000 2.588 222 F HA 0.547 5.074 4.527 -0.000 0.000 0.310 222 F C -0.703 175.162 175.800 0.109 0.000 1.082 222 F CA -0.814 57.175 58.000 -0.018 0.000 0.929 222 F CB 2.343 41.376 39.000 0.056 0.000 1.254 222 F HN 0.695 nan 8.300 nan 0.000 0.455 223 E N 0.273 120.622 120.200 0.247 0.000 2.392 223 E HA 0.790 5.140 4.350 -0.000 0.000 0.269 223 E C -1.900 174.865 176.600 0.275 0.000 0.924 223 E CA -1.177 55.384 56.400 0.267 0.000 0.784 223 E CB 2.789 32.606 29.700 0.195 0.000 1.292 223 E HN 0.301 nan 8.360 nan 0.000 0.447 224 V N 1.504 121.624 119.914 0.344 0.000 2.409 224 V HA 0.301 4.421 4.120 -0.000 0.000 0.291 224 V C -0.330 175.937 176.094 0.289 0.000 1.020 224 V CA -0.825 61.653 62.300 0.298 0.000 0.848 224 V CB 1.260 33.261 31.823 0.297 0.000 0.990 224 V HN 0.530 nan 8.190 nan 0.000 0.430 225 K N 3.329 123.833 120.400 0.173 0.000 2.183 225 K HA 0.761 5.081 4.320 -0.000 0.000 0.274 225 K C -0.193 176.412 176.600 0.007 0.000 1.009 225 K CA -0.338 55.995 56.287 0.077 0.000 0.888 225 K CB 1.999 34.458 32.500 -0.069 0.000 1.078 225 K HN 0.771 nan 8.250 nan 0.000 0.459 226 A N 3.304 126.115 122.820 -0.015 0.000 2.271 226 A HA 0.293 4.613 4.320 -0.000 0.000 0.317 226 A C -1.096 176.319 177.584 -0.281 0.000 1.245 226 A CA -0.700 51.240 52.037 -0.162 0.000 0.857 226 A CB -0.006 18.795 19.000 -0.333 0.000 1.175 226 A HN 0.750 nan 8.150 nan 0.000 0.512 227 H N 2.537 121.533 119.070 -0.123 0.000 2.864 227 H HA 0.326 4.882 4.556 -0.000 0.000 0.281 227 H C 0.081 175.262 175.328 -0.245 0.000 1.093 227 H CA 0.139 56.096 56.048 -0.151 0.000 1.453 227 H CB 0.297 30.001 29.762 -0.097 0.000 1.462 227 H HN 0.450 nan 8.280 nan 0.000 0.480 228 I N 3.336 123.705 120.570 -0.336 0.000 2.577 228 I HA 0.295 4.465 4.170 -0.000 0.000 0.305 228 I C 0.033 175.926 176.117 -0.374 0.000 0.986 228 I CA -0.731 60.276 61.300 -0.489 0.000 1.189 228 I CB 1.743 39.139 38.000 -1.006 0.000 1.355 228 I HN 0.297 nan 8.210 nan 0.000 0.476 229 V N 4.513 124.286 119.914 -0.235 0.000 2.638 229 V HA 0.452 4.572 4.120 -0.000 0.000 0.306 229 V C -0.051 176.011 176.094 -0.053 0.000 1.052 229 V CA -0.219 62.013 62.300 -0.114 0.000 0.885 229 V CB 2.364 34.147 31.823 -0.068 0.000 0.999 229 V HN 0.946 nan 8.190 nan 0.000 0.424 230 T N 8.472 123.037 114.554 0.018 0.000 2.904 230 T HA 0.282 4.632 4.350 -0.000 0.000 0.290 230 T C -1.898 172.813 174.700 0.019 0.000 1.018 230 T CA -0.812 61.319 62.100 0.052 0.000 1.075 230 T CB 1.319 70.244 68.868 0.096 0.000 0.986 230 T HN 0.629 nan 8.240 nan 0.000 0.523 231 P HA 0.018 nan 4.420 nan 0.000 0.223 231 P C 0.574 177.876 177.300 0.003 0.000 1.144 231 P CA 0.438 63.539 63.100 0.003 0.000 0.783 231 P CB 0.084 31.784 31.700 0.000 0.000 0.771 232 A N -0.973 121.853 122.820 0.011 0.000 2.460 232 A HA 0.228 4.548 4.320 -0.000 0.000 0.258 232 A C 0.393 177.986 177.584 0.014 0.000 1.300 232 A CA 0.163 52.205 52.037 0.009 0.000 0.913 232 A CB -0.970 18.034 19.000 0.007 0.000 1.031 232 A HN 0.063 nan 8.150 nan 0.000 0.512 233 D N -0.263 120.145 120.400 0.014 0.000 2.870 233 D HA -0.141 4.499 4.640 -0.000 0.000 0.228 233 D C -0.232 176.086 176.300 0.029 0.000 1.147 233 D CA 1.332 55.340 54.000 0.014 0.000 0.757 233 D CB -1.170 39.634 40.800 0.006 0.000 1.091 233 D HN 0.742 nan 8.370 nan 0.000 0.429 234 E N 0.237 120.469 120.200 0.053 0.000 2.231 234 E HA 0.535 4.885 4.350 -0.000 0.000 0.277 234 E C 0.143 176.812 176.600 0.115 0.000 0.999 234 E CA -0.554 55.900 56.400 0.090 0.000 0.827 234 E CB 1.303 31.072 29.700 0.115 0.000 1.101 234 E HN 0.129 nan 8.360 nan 0.000 0.393 235 R N 2.485 123.060 120.500 0.124 0.000 2.494 235 R HA 0.525 4.865 4.340 -0.000 0.000 0.305 235 R C -1.002 175.429 176.300 0.218 0.000 0.959 235 R CA -0.654 55.502 56.100 0.094 0.000 0.864 235 R CB 0.871 31.202 30.300 0.052 0.000 1.159 235 R HN 0.487 nan 8.270 nan 0.000 0.446 236 F N -1.569 118.416 119.950 0.059 0.000 2.662 236 F HA 0.572 5.099 4.527 -0.000 0.000 0.312 236 F C -0.552 175.273 175.800 0.043 0.000 1.113 236 F CA -1.131 56.906 58.000 0.061 0.000 0.951 236 F CB 1.444 40.481 39.000 0.062 0.000 1.344 236 F HN 0.381 nan 8.300 nan 0.000 0.462 237 T N 0.126 114.796 114.554 0.193 0.000 2.902 237 T HA 0.877 5.227 4.350 -0.000 0.000 0.283 237 T C -0.584 174.251 174.700 0.224 0.000 1.009 237 T CA -0.224 61.884 62.100 0.013 0.000 1.051 237 T CB 1.429 70.241 68.868 -0.094 0.000 0.999 237 T HN 1.380 nan 8.240 nan 0.000 0.474 238 A N 3.022 125.925 122.820 0.139 0.000 2.401 238 A HA 0.747 5.067 4.320 -0.000 0.000 0.310 238 A C -0.473 177.296 177.584 0.308 0.000 1.075 238 A CA -1.055 51.153 52.037 0.283 0.000 0.746 238 A CB 1.013 20.226 19.000 0.355 0.000 1.277 238 A HN 0.822 nan 8.150 nan 0.000 0.425 239 I N 0.630 121.373 120.570 0.288 0.000 2.498 239 I HA 0.231 4.401 4.170 -0.000 0.000 0.301 239 I C -0.355 175.872 176.117 0.184 0.000 0.984 239 I CA -0.478 60.969 61.300 0.245 0.000 1.204 239 I CB 1.399 39.482 38.000 0.138 0.000 1.362 239 I HN 0.897 nan 8.210 nan 0.000 0.471 240 W N 6.103 127.291 121.300 -0.187 0.000 2.304 240 W HA 0.204 4.864 4.660 -0.000 0.000 0.313 240 W C -0.259 176.042 176.519 -0.364 0.000 1.323 240 W CA -0.308 56.607 57.345 -0.716 0.000 1.223 240 W CB 0.572 29.662 29.460 -0.617 0.000 1.237 240 W HN 0.377 nan 8.180 nan 0.000 0.535 241 Q N 7.930 127.373 119.800 -0.594 0.000 2.509 241 Q HA 0.267 4.607 4.340 -0.000 0.000 0.236 241 Q C -2.125 173.394 176.000 -0.802 0.000 1.073 241 Q CA -2.046 53.422 55.803 -0.560 0.000 0.867 241 Q CB 0.616 29.204 28.738 -0.250 0.000 1.181 241 Q HN 0.287 nan 8.270 nan 0.000 0.526 242 P HA -0.070 nan 4.420 nan 0.000 0.265 242 P C 0.198 177.291 177.300 -0.345 0.000 1.187 242 P CA 0.365 62.903 63.100 -0.937 0.000 0.766 242 P CB 0.660 31.791 31.700 -0.948 0.000 0.820 243 S N 1.481 117.108 115.700 -0.122 0.000 2.655 243 S HA 0.092 4.562 4.470 -0.000 0.000 0.265 243 S C 1.322 175.905 174.600 -0.029 0.000 1.240 243 S CA -0.255 57.921 58.200 -0.040 0.000 0.986 243 S CB 0.368 63.590 63.200 0.036 0.000 0.985 243 S HN 0.551 nan 8.310 nan 0.000 0.562 244 E N 1.051 121.244 120.200 -0.012 0.000 2.097 244 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 244 E C 2.002 178.614 176.600 0.021 0.000 1.000 244 E CA 1.285 57.681 56.400 -0.006 0.000 0.804 244 E CB -0.865 28.832 29.700 -0.004 0.000 0.740 244 E HN 0.780 nan 8.360 nan 0.000 0.454 245 A N 0.763 123.612 122.820 0.049 0.000 2.194 245 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 245 A C 2.179 179.852 177.584 0.148 0.000 1.162 245 A CA 1.317 53.406 52.037 0.088 0.000 0.674 245 A CB -0.900 18.162 19.000 0.102 0.000 0.789 245 A HN 0.557 nan 8.150 nan 0.000 0.470 246 C N -1.092 118.284 119.300 0.127 0.000 2.799 246 C HA 0.204 4.664 4.460 -0.000 0.000 0.267 246 C C 2.130 177.226 174.990 0.177 0.000 1.257 246 C CA 0.272 59.416 59.018 0.209 0.000 1.702 246 C CB -1.268 26.520 27.740 0.080 0.000 1.934 246 C HN 0.714 nan 8.230 nan 0.000 0.594 247 E N 1.608 121.841 120.200 0.055 0.000 2.086 247 E HA -0.216 4.134 4.350 -0.000 0.000 0.200 247 E C -0.845 175.724 176.600 -0.052 0.000 1.012 247 E CA 1.840 58.236 56.400 -0.005 0.000 0.812 247 E CB -0.745 28.936 29.700 -0.031 0.000 0.743 247 E HN 0.556 nan 8.360 nan 0.000 0.453 248 P HA -0.143 nan 4.420 nan 0.000 0.228 248 P C 0.129 177.146 177.300 -0.471 0.000 1.151 248 P CA 1.246 64.130 63.100 -0.360 0.000 0.770 248 P CB -0.052 31.321 31.700 -0.545 0.000 0.786 249 Y N -1.889 118.417 120.300 0.010 0.000 2.462 249 Y HA 0.239 4.789 4.550 -0.000 0.000 0.253 249 Y C 1.258 177.195 175.900 0.062 0.000 1.095 249 Y CA -0.316 57.810 58.100 0.043 0.000 1.283 249 Y CB -0.395 38.111 38.460 0.078 0.000 1.138 249 Y HN -0.114 nan 8.280 nan 0.000 0.522 250 Q N 2.138 122.024 119.800 0.143 0.000 2.327 250 Q HA 0.090 4.430 4.340 -0.000 0.000 0.254 250 Q C -0.249 175.761 176.000 0.017 0.000 0.952 250 Q CA -0.509 55.333 55.803 0.066 0.000 0.884 250 Q CB 0.742 29.484 28.738 0.006 0.000 1.224 250 Q HN 0.285 nan 8.270 nan 0.000 0.422 251 D N 1.047 121.445 120.400 -0.003 0.000 2.447 251 D HA -0.037 4.603 4.640 -0.000 0.000 0.265 251 D C 0.240 176.505 176.300 -0.059 0.000 1.250 251 D CA -0.216 53.763 54.000 -0.036 0.000 1.046 251 D CB 0.579 41.347 40.800 -0.054 0.000 1.095 251 D HN 0.370 nan 8.370 nan 0.000 0.555 252 E N -0.772 119.389 120.200 -0.065 0.000 2.160 252 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 252 E C 1.366 177.920 176.600 -0.077 0.000 0.991 252 E CA 1.264 57.624 56.400 -0.065 0.000 0.810 252 E CB -0.099 29.565 29.700 -0.060 0.000 0.742 252 E HN 0.498 nan 8.360 nan 0.000 0.466 253 E N -1.475 118.666 120.200 -0.099 0.000 2.479 253 E HA 0.190 4.540 4.350 -0.000 0.000 0.193 253 E C 0.767 177.292 176.600 -0.124 0.000 1.049 253 E CA 0.529 56.860 56.400 -0.115 0.000 0.870 253 E CB 0.658 30.273 29.700 -0.142 0.000 0.944 253 E HN 0.282 nan 8.360 nan 0.000 0.492 254 G N 0.912 109.646 108.800 -0.110 0.000 2.179 254 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 254 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 254 G C 0.080 174.922 174.900 -0.097 0.000 0.990 254 G CA -0.267 44.772 45.100 -0.101 0.000 0.646 254 G HN 0.155 nan 8.290 nan 0.000 0.517 255 R N -0.263 120.161 120.500 -0.127 0.000 2.441 255 R HA 0.553 4.893 4.340 -0.000 0.000 0.284 255 R C 0.128 176.475 176.300 0.080 0.000 1.070 255 R CA -0.690 55.359 56.100 -0.085 0.000 1.047 255 R CB 1.170 31.234 30.300 -0.392 0.000 1.016 255 R HN 0.232 nan 8.270 nan 0.000 0.477 256 L N 3.772 125.129 121.223 0.224 0.000 2.319 256 L HA 0.136 4.476 4.340 -0.000 0.000 0.280 256 L C 0.228 177.347 176.870 0.415 0.000 1.099 256 L CA 0.490 55.508 54.840 0.297 0.000 0.828 256 L CB 0.754 43.007 42.059 0.322 0.000 1.150 256 L HN 0.701 nan 8.230 nan 0.000 0.442 257 L N 3.999 125.462 121.223 0.399 0.000 2.470 257 L HA 0.195 4.535 4.340 -0.000 0.000 0.219 257 L C 0.615 177.845 176.870 0.600 0.000 1.071 257 L CA -0.072 55.021 54.840 0.423 0.000 0.850 257 L CB -0.193 42.035 42.059 0.283 0.000 1.040 257 L HN 0.606 nan 8.230 nan 0.000 0.475 258 H N 0.858 120.153 119.070 0.375 0.000 2.640 258 H HA 0.152 4.708 4.556 -0.000 0.000 0.297 258 H C 0.626 175.918 175.328 -0.060 0.000 1.073 258 H CA -0.167 55.996 56.048 0.192 0.000 1.305 258 H CB 1.262 31.110 29.762 0.144 0.000 1.404 258 H HN 0.056 nan 8.280 nan 0.000 0.459 259 R N 4.275 124.399 120.500 -0.627 0.000 2.073 259 R HA -0.070 4.270 4.340 -0.000 0.000 0.234 259 R C -0.939 175.038 176.300 -0.538 0.000 1.134 259 R CA 0.942 56.404 56.100 -1.063 0.000 0.952 259 R CB -0.739 28.836 30.300 -1.208 0.000 0.850 259 R HN 0.479 nan 8.270 nan 0.000 0.433 260 P HA -0.192 nan 4.420 nan 0.000 0.217 260 P C 1.259 178.491 177.300 -0.113 0.000 1.151 260 P CA 1.060 64.009 63.100 -0.252 0.000 0.849 260 P CB -0.106 31.460 31.700 -0.223 0.000 0.787 261 L N -0.829 120.365 121.223 -0.049 0.000 2.141 261 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 261 L C 2.144 179.025 176.870 0.019 0.000 1.094 261 L CA 1.925 56.770 54.840 0.008 0.000 0.763 261 L CB -1.404 40.651 42.059 -0.006 0.000 0.908 261 L HN -0.124 nan 8.230 nan 0.000 0.437 262 A N -0.515 122.297 122.820 -0.013 0.000 1.858 262 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 262 A C 2.175 179.713 177.584 -0.077 0.000 1.190 262 A CA 1.780 53.811 52.037 -0.010 0.000 0.617 262 A CB -0.744 18.249 19.000 -0.011 0.000 0.827 262 A HN 0.582 nan 8.150 nan 0.000 0.443 263 E N -1.306 118.835 120.200 -0.099 0.000 2.086 263 E HA -0.274 4.076 4.350 -0.000 0.000 0.200 263 E C 2.024 178.599 176.600 -0.042 0.000 1.012 263 E CA 1.415 57.770 56.400 -0.075 0.000 0.812 263 E CB -0.372 29.277 29.700 -0.084 0.000 0.743 263 E HN 0.823 nan 8.360 nan 0.000 0.453 264 H N 0.156 119.150 119.070 -0.127 0.000 2.290 264 H HA -0.127 4.429 4.556 -0.000 0.000 0.298 264 H C 2.130 177.364 175.328 -0.156 0.000 1.087 264 H CA 1.677 57.652 56.048 -0.121 0.000 1.291 264 H CB 0.122 29.821 29.762 -0.106 0.000 1.369 264 H HN 0.031 nan 8.280 nan 0.000 0.492 265 V N 0.689 120.432 119.914 -0.285 0.000 2.392 265 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 265 V C 2.849 178.758 176.094 -0.309 0.000 1.059 265 V CA 1.320 63.355 62.300 -0.441 0.000 1.051 265 V CB -0.525 30.821 31.823 -0.795 0.000 0.658 265 V HN 0.258 nan 8.190 nan 0.000 0.455 266 V N 0.812 120.603 119.914 -0.206 0.000 2.261 266 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 266 V C 2.361 178.368 176.094 -0.146 0.000 1.047 266 V CA 2.312 64.532 62.300 -0.133 0.000 1.015 266 V CB -0.905 30.874 31.823 -0.074 0.000 0.642 266 V HN 0.577 nan 8.190 nan 0.000 0.446 267 N N 0.406 119.014 118.700 -0.153 0.000 2.137 267 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 267 N C 1.876 177.278 175.510 -0.180 0.000 1.017 267 N CA 1.389 54.353 53.050 -0.143 0.000 0.859 267 N CB -0.418 38.000 38.487 -0.115 0.000 1.002 267 N HN 0.484 nan 8.380 nan 0.000 0.428 268 R N 0.364 120.706 120.500 -0.264 0.000 2.236 268 R HA 0.118 4.458 4.340 -0.000 0.000 0.208 268 R C 1.857 178.042 176.300 -0.191 0.000 1.036 268 R CA 0.599 56.550 56.100 -0.248 0.000 1.001 268 R CB -0.024 30.071 30.300 -0.342 0.000 0.896 268 R HN 0.447 nan 8.270 nan 0.000 0.464 269 I N -3.771 116.681 120.570 -0.196 0.000 3.939 269 I HA 0.210 4.380 4.170 -0.000 0.000 0.313 269 I C 0.176 176.185 176.117 -0.179 0.000 1.274 269 I CA -0.250 60.922 61.300 -0.213 0.000 1.301 269 I CB 0.462 38.273 38.000 -0.316 0.000 1.105 269 I HN -0.268 nan 8.210 nan 0.000 0.427 270 S N 2.444 118.059 115.700 -0.140 0.000 2.544 270 S HA 0.313 4.783 4.470 -0.000 0.000 0.290 270 S C 1.308 175.849 174.600 -0.099 0.000 1.276 270 S CA 0.800 58.935 58.200 -0.108 0.000 1.075 270 S CB 0.396 63.545 63.200 -0.085 0.000 0.849 270 S HN 0.838 nan 8.310 nan 0.000 0.494 271 G N 2.626 111.370 108.800 -0.093 0.000 2.166 271 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.260 271 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.260 271 G C -0.019 174.831 174.900 -0.083 0.000 0.986 271 G CA 0.018 45.070 45.100 -0.081 0.000 0.683 271 G HN 0.624 nan 8.290 nan 0.000 0.527 272 Q N 0.223 119.961 119.800 -0.103 0.000 2.205 272 Q HA 0.426 4.766 4.340 -0.000 0.000 0.249 272 Q C -2.320 173.622 176.000 -0.098 0.000 0.948 272 Q CA -1.939 53.806 55.803 -0.097 0.000 0.895 272 Q CB 1.583 30.254 28.738 -0.111 0.000 1.249 272 Q HN 0.245 nan 8.270 nan 0.000 0.458 273 P HA 0.046 nan 4.420 nan 0.000 0.265 273 P C -1.270 175.987 177.300 -0.073 0.000 1.193 273 P CA 0.124 63.188 63.100 -0.061 0.000 0.765 273 P CB 0.432 32.109 31.700 -0.038 0.000 0.823 274 A N 5.457 128.235 122.820 -0.070 0.000 2.277 274 A HA 0.483 4.803 4.320 -0.000 0.000 0.318 274 A C -0.000 177.583 177.584 -0.001 0.000 1.339 274 A CA -0.687 51.313 52.037 -0.062 0.000 0.875 274 A CB 0.072 19.009 19.000 -0.105 0.000 1.158 274 A HN 0.350 nan 8.150 nan 0.000 0.514 275 I N 3.476 124.059 120.570 0.022 0.000 2.342 275 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 275 I C 0.266 176.430 176.117 0.078 0.000 1.010 275 I CA -0.474 60.853 61.300 0.045 0.000 1.308 275 I CB 1.097 39.121 38.000 0.041 0.000 1.400 275 I HN 0.278 nan 8.210 nan 0.000 0.488 276 V N 6.992 126.956 119.914 0.084 0.000 2.446 276 V HA 0.032 4.152 4.120 -0.000 0.000 0.276 276 V C 1.561 177.713 176.094 0.097 0.000 1.030 276 V CA 0.172 62.538 62.300 0.110 0.000 1.033 276 V CB 0.432 32.320 31.823 0.109 0.000 0.993 276 V HN 0.956 nan 8.190 nan 0.000 0.477 277 T N 0.107 114.725 114.554 0.107 0.000 3.057 277 T HA 0.181 4.531 4.350 -0.000 0.000 0.254 277 T C 0.572 175.326 174.700 0.089 0.000 1.094 277 T CA 0.459 62.613 62.100 0.090 0.000 1.088 277 T CB 0.155 69.076 68.868 0.089 0.000 0.934 277 T HN 0.885 nan 8.240 nan 0.000 0.497 278 S N -0.358 115.407 115.700 0.109 0.000 2.608 278 S HA 0.498 4.968 4.470 -0.000 0.000 0.285 278 S C -1.912 172.784 174.600 0.161 0.000 1.108 278 S CA -1.202 57.065 58.200 0.113 0.000 0.858 278 S CB 1.011 64.255 63.200 0.073 0.000 1.077 278 S HN 0.382 nan 8.310 nan 0.000 0.450 279 Y N 2.525 122.839 120.300 0.022 0.000 2.373 279 Y HA 0.708 5.258 4.550 -0.000 0.000 0.336 279 Y C -1.267 174.637 175.900 0.007 0.000 0.979 279 Y CA -0.523 57.582 58.100 0.010 0.000 1.080 279 Y CB 1.716 40.178 38.460 0.004 0.000 1.190 279 Y HN 0.890 nan 8.280 nan 0.000 0.446 280 N N 4.932 123.289 118.700 -0.572 0.000 2.295 280 N HA 0.172 4.912 4.740 -0.000 0.000 0.293 280 N C -2.197 172.963 175.510 -0.583 0.000 1.040 280 N CA -0.510 52.286 53.050 -0.423 0.000 0.840 280 N CB 2.161 40.535 38.487 -0.189 0.000 1.468 280 N HN 0.738 nan 8.380 nan 0.000 0.478 281 D N 2.166 122.357 120.400 -0.347 0.000 2.389 281 D HA 0.232 4.872 4.640 -0.000 0.000 0.256 281 D C -0.989 175.274 176.300 -0.061 0.000 1.239 281 D CA -0.160 53.723 54.000 -0.196 0.000 0.925 281 D CB 0.991 41.736 40.800 -0.090 0.000 1.145 281 D HN 0.278 nan 8.370 nan 0.000 0.542 282 K N 2.317 122.690 120.400 -0.045 0.000 2.207 282 K HA 0.460 4.780 4.320 -0.000 0.000 0.255 282 K C 0.105 176.720 176.600 0.025 0.000 0.941 282 K CA -0.765 55.518 56.287 -0.007 0.000 0.825 282 K CB 2.431 34.923 32.500 -0.014 0.000 1.119 282 K HN 0.147 nan 8.250 nan 0.000 0.430 283 R N 1.950 122.472 120.500 0.037 0.000 2.390 283 R HA 0.147 4.487 4.340 -0.000 0.000 0.291 283 R C -0.474 175.868 176.300 0.070 0.000 1.070 283 R CA 0.002 56.138 56.100 0.059 0.000 1.014 283 R CB 0.720 31.049 30.300 0.048 0.000 1.007 283 R HN 0.561 nan 8.270 nan 0.000 0.466 284 E N 0.960 121.229 120.200 0.114 0.000 2.246 284 E HA 0.218 4.568 4.350 -0.000 0.000 0.266 284 E C -1.077 175.630 176.600 0.179 0.000 0.880 284 E CA -0.484 55.986 56.400 0.117 0.000 0.762 284 E CB 2.358 32.110 29.700 0.087 0.000 1.180 284 E HN 0.392 nan 8.360 nan 0.000 0.416 285 S N 2.014 117.796 115.700 0.136 0.000 2.586 285 S HA 0.214 4.684 4.470 -0.000 0.000 0.274 285 S C -0.335 174.379 174.600 0.190 0.000 1.281 285 S CA -0.495 57.800 58.200 0.159 0.000 1.035 285 S CB 0.923 64.187 63.200 0.107 0.000 0.962 285 S HN 0.494 nan 8.310 nan 0.000 0.512 286 E N 1.940 122.304 120.200 0.274 0.000 2.316 286 E HA 0.269 4.619 4.350 -0.000 0.000 0.254 286 E C -1.016 175.803 176.600 0.365 0.000 0.902 286 E CA -0.360 56.231 56.400 0.317 0.000 0.801 286 E CB 0.917 30.901 29.700 0.473 0.000 1.270 286 E HN 0.550 nan 8.360 nan 0.000 0.414 287 S N 1.758 117.542 115.700 0.140 0.000 2.573 287 S HA 0.208 4.678 4.470 -0.000 0.000 0.277 287 S C 0.292 174.676 174.600 -0.359 0.000 1.346 287 S CA -0.141 58.042 58.200 -0.027 0.000 1.034 287 S CB 1.076 64.218 63.200 -0.097 0.000 0.879 287 S HN 0.637 nan 8.310 nan 0.000 0.528 288 A N 4.121 126.510 122.820 -0.718 0.000 2.531 288 A HA 0.352 4.672 4.320 -0.000 0.000 0.236 288 A C -1.820 175.227 177.584 -0.895 0.000 1.062 288 A CA -0.963 50.235 52.037 -1.398 0.000 0.760 288 A CB -0.612 17.897 19.000 -0.818 0.000 0.995 288 A HN 0.555 nan 8.150 nan 0.000 0.501 289 P HA 0.217 nan 4.420 nan 0.000 0.272 289 P C -0.271 176.706 177.300 -0.538 0.000 1.230 289 P CA -0.115 62.638 63.100 -0.577 0.000 0.788 289 P CB 0.462 31.870 31.700 -0.486 0.000 0.949 290 L N 2.344 123.294 121.223 -0.455 0.000 2.476 290 L HA 0.253 4.593 4.340 -0.000 0.000 0.255 290 L C -1.834 174.729 176.870 -0.511 0.000 1.218 290 L CA -1.926 52.612 54.840 -0.504 0.000 0.819 290 L CB -0.490 41.241 42.059 -0.546 0.000 1.119 290 L HN 0.252 nan 8.230 nan 0.000 0.485 291 P HA -0.000 nan 4.420 nan 0.000 0.269 291 P C -0.768 176.362 177.300 -0.284 0.000 1.209 291 P CA 0.049 62.893 63.100 -0.427 0.000 0.776 291 P CB 0.235 31.747 31.700 -0.314 0.000 0.876 292 F N 0.429 120.314 119.950 -0.109 0.000 2.518 292 F HA 0.043 4.570 4.527 -0.000 0.000 0.359 292 F C 1.687 177.440 175.800 -0.079 0.000 1.118 292 F CA -0.036 57.910 58.000 -0.090 0.000 1.287 292 F CB 0.343 39.306 39.000 -0.062 0.000 1.132 292 F HN 0.306 nan 8.300 nan 0.000 0.587 293 S N 3.231 119.027 115.700 0.161 0.000 2.681 293 S HA 0.213 4.683 4.470 -0.000 0.000 0.270 293 S C 0.721 175.328 174.600 0.012 0.000 1.209 293 S CA -0.961 57.276 58.200 0.061 0.000 0.988 293 S CB 1.294 64.516 63.200 0.035 0.000 1.006 293 S HN 0.668 nan 8.310 nan 0.000 0.558 294 L N 1.481 122.674 121.223 -0.049 0.000 2.046 294 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 294 L C 2.582 179.383 176.870 -0.115 0.000 1.077 294 L CA 2.586 57.364 54.840 -0.104 0.000 0.747 294 L CB -1.278 40.705 42.059 -0.128 0.000 0.896 294 L HN 0.954 nan 8.230 nan 0.000 0.432 295 S N -0.610 115.044 115.700 -0.076 0.000 2.383 295 S HA -0.058 4.412 4.470 -0.000 0.000 0.227 295 S C 2.119 176.667 174.600 -0.086 0.000 1.026 295 S CA 0.695 58.852 58.200 -0.072 0.000 0.981 295 S CB -1.022 62.154 63.200 -0.040 0.000 0.818 295 S HN 0.504 nan 8.310 nan 0.000 0.472 296 A N 1.727 124.512 122.820 -0.058 0.000 1.930 296 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 296 A C 2.197 179.568 177.584 -0.354 0.000 1.175 296 A CA 1.430 53.439 52.037 -0.046 0.000 0.627 296 A CB -0.766 18.332 19.000 0.164 0.000 0.815 296 A HN 0.505 nan 8.150 nan 0.000 0.443 297 L N -0.278 120.611 121.223 -0.556 0.000 2.056 297 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 297 L C 2.373 178.971 176.870 -0.455 0.000 1.078 297 L CA 2.212 56.505 54.840 -0.911 0.000 0.749 297 L CB -0.693 40.998 42.059 -0.614 0.000 0.901 297 L HN 0.483 nan 8.230 nan 0.000 0.433 298 Q N -0.563 119.079 119.800 -0.263 0.000 2.124 298 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 298 Q C 2.240 178.162 176.000 -0.129 0.000 0.977 298 Q CA 2.077 57.785 55.803 -0.159 0.000 0.850 298 Q CB -0.185 28.484 28.738 -0.114 0.000 0.901 298 Q HN 0.579 nan 8.270 nan 0.000 0.429 299 I N 0.286 120.779 120.570 -0.129 0.000 2.163 299 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 299 I C 2.387 178.451 176.117 -0.088 0.000 1.081 299 I CA 1.086 62.338 61.300 -0.079 0.000 1.353 299 I CB -0.155 37.819 38.000 -0.043 0.000 1.054 299 I HN 0.158 nan 8.210 nan 0.000 0.407 300 E N 1.432 121.551 120.200 -0.136 0.000 2.085 300 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 300 E C 2.080 178.615 176.600 -0.108 0.000 0.994 300 E CA 1.808 58.144 56.400 -0.105 0.000 0.801 300 E CB -0.228 29.415 29.700 -0.094 0.000 0.743 300 E HN 0.425 nan 8.360 nan 0.000 0.453 301 A N 0.157 122.917 122.820 -0.100 0.000 2.067 301 A HA 0.096 4.416 4.320 -0.000 0.000 0.219 301 A C 2.286 179.888 177.584 0.030 0.000 1.158 301 A CA 1.611 53.670 52.037 0.037 0.000 0.661 301 A CB -0.600 18.436 19.000 0.059 0.000 0.801 301 A HN 0.354 nan 8.150 nan 0.000 0.452 302 A N 0.044 122.844 122.820 -0.032 0.000 1.874 302 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 302 A C 2.070 179.618 177.584 -0.059 0.000 1.189 302 A CA 1.488 53.507 52.037 -0.031 0.000 0.615 302 A CB -0.359 18.619 19.000 -0.037 0.000 0.830 302 A HN 0.466 nan 8.150 nan 0.000 0.443 303 K N -0.630 119.722 120.400 -0.080 0.000 2.063 303 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 303 K C 2.255 178.757 176.600 -0.164 0.000 1.048 303 K CA 1.610 57.839 56.287 -0.097 0.000 0.928 303 K CB -0.136 32.319 32.500 -0.076 0.000 0.713 303 K HN 0.349 nan 8.250 nan 0.000 0.442 304 R N -1.221 119.104 120.500 -0.292 0.000 2.156 304 R HA 0.088 4.428 4.340 -0.000 0.000 0.207 304 R C 1.355 177.279 176.300 -0.626 0.000 1.040 304 R CA 0.775 56.528 56.100 -0.579 0.000 1.013 304 R CB 0.345 30.053 30.300 -0.987 0.000 0.931 304 R HN 0.179 nan 8.270 nan 0.000 0.465 305 F N -1.388 118.552 119.950 -0.017 0.000 2.817 305 F HA 0.298 4.825 4.527 -0.000 0.000 0.333 305 F C 1.137 176.919 175.800 -0.030 0.000 1.085 305 F CA 0.070 58.059 58.000 -0.019 0.000 1.170 305 F CB 1.281 40.271 39.000 -0.017 0.000 1.066 305 F HN 0.092 nan 8.300 nan 0.000 0.564 306 G N 2.200 111.047 108.800 0.078 0.000 2.198 306 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 306 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 306 G C -0.012 174.905 174.900 0.028 0.000 1.025 306 G CA -0.142 44.973 45.100 0.025 0.000 0.769 306 G HN 0.275 nan 8.290 nan 0.000 0.507 307 L N 1.442 122.699 121.223 0.057 0.000 2.380 307 L HA 0.470 4.810 4.340 -0.000 0.000 0.273 307 L C 1.455 178.312 176.870 -0.021 0.000 1.138 307 L CA 0.005 54.856 54.840 0.019 0.000 0.832 307 L CB 1.207 43.289 42.059 0.038 0.000 1.124 307 L HN 0.443 nan 8.230 nan 0.000 0.454 308 S N 2.160 117.830 115.700 -0.050 0.000 2.614 308 S HA 0.317 4.787 4.470 -0.000 0.000 0.265 308 S C 1.190 175.749 174.600 -0.068 0.000 1.303 308 S CA -0.177 57.979 58.200 -0.073 0.000 1.000 308 S CB 1.563 64.694 63.200 -0.116 0.000 0.935 308 S HN 0.701 nan 8.310 nan 0.000 0.551 309 A N 1.008 123.786 122.820 -0.069 0.000 1.908 309 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 309 A C 2.268 179.811 177.584 -0.068 0.000 1.181 309 A CA 2.119 54.116 52.037 -0.067 0.000 0.627 309 A CB -1.324 17.640 19.000 -0.059 0.000 0.818 309 A HN 0.901 nan 8.150 nan 0.000 0.445 310 Q N 0.362 120.120 119.800 -0.071 0.000 2.050 310 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 310 Q C 1.744 177.707 176.000 -0.062 0.000 0.980 310 Q CA 2.262 58.025 55.803 -0.066 0.000 0.840 310 Q CB -0.630 28.066 28.738 -0.070 0.000 0.898 310 Q HN 0.815 nan 8.270 nan 0.000 0.424 311 N N -1.099 117.563 118.700 -0.064 0.000 2.021 311 N HA -0.208 4.532 4.740 -0.000 0.000 0.198 311 N C 1.655 177.136 175.510 -0.049 0.000 1.041 311 N CA 1.906 54.923 53.050 -0.054 0.000 0.862 311 N CB -0.219 38.238 38.487 -0.050 0.000 1.048 311 N HN 0.055 nan 8.380 nan 0.000 0.427 312 V N 1.160 121.042 119.914 -0.053 0.000 2.287 312 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 312 V C 2.216 178.272 176.094 -0.063 0.000 1.053 312 V CA 1.349 63.615 62.300 -0.056 0.000 1.027 312 V CB -0.644 31.137 31.823 -0.070 0.000 0.646 312 V HN 0.306 nan 8.190 nan 0.000 0.447 313 L N 0.556 121.736 121.223 -0.071 0.000 2.017 313 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 313 L C 2.116 178.948 176.870 -0.063 0.000 1.073 313 L CA 2.112 56.904 54.840 -0.081 0.000 0.745 313 L CB -1.023 40.987 42.059 -0.081 0.000 0.894 313 L HN 0.313 nan 8.230 nan 0.000 0.432 314 D N -0.316 120.055 120.400 -0.048 0.000 2.123 314 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 314 D C 2.330 178.619 176.300 -0.018 0.000 0.992 314 D CA 1.902 55.882 54.000 -0.032 0.000 0.833 314 D CB -0.160 40.621 40.800 -0.031 0.000 0.954 314 D HN 0.448 nan 8.370 nan 0.000 0.455 315 I N 0.398 120.956 120.570 -0.019 0.000 2.252 315 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 315 I C 2.464 178.593 176.117 0.020 0.000 1.102 315 I CA 0.609 61.910 61.300 0.001 0.000 1.385 315 I CB -0.144 37.849 38.000 -0.012 0.000 1.064 315 I HN 0.054 nan 8.210 nan 0.000 0.414 316 C N 0.015 119.311 119.300 -0.006 0.000 2.425 316 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 316 C C 2.862 177.868 174.990 0.027 0.000 1.280 316 C CA 0.667 59.682 59.018 -0.004 0.000 1.744 316 C CB -0.941 26.755 27.740 -0.074 0.000 1.989 316 C HN 0.514 nan 8.230 nan 0.000 0.491 317 Q N 0.965 120.771 119.800 0.009 0.000 2.050 317 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 317 Q C 2.303 178.344 176.000 0.069 0.000 0.980 317 Q CA 1.450 57.287 55.803 0.058 0.000 0.840 317 Q CB -0.309 28.438 28.738 0.016 0.000 0.898 317 Q HN 0.670 nan 8.270 nan 0.000 0.424 318 K N 0.261 120.683 120.400 0.036 0.000 2.057 318 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 318 K C 2.258 178.906 176.600 0.080 0.000 1.049 318 K CA 0.788 57.080 56.287 0.008 0.000 0.931 318 K CB -0.166 32.362 32.500 0.047 0.000 0.714 318 K HN 0.193 nan 8.250 nan 0.000 0.440 319 L N -0.137 121.188 121.223 0.170 0.000 2.191 319 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 319 L C 2.420 179.395 176.870 0.175 0.000 1.103 319 L CA 1.129 56.092 54.840 0.205 0.000 0.769 319 L CB -0.294 41.865 42.059 0.168 0.000 0.908 319 L HN 0.243 nan 8.230 nan 0.000 0.438 320 Y N -0.044 120.261 120.300 0.008 0.000 2.266 320 Y HA -0.069 4.481 4.550 -0.000 0.000 0.294 320 Y C 2.496 178.379 175.900 -0.029 0.000 1.127 320 Y CA 1.240 59.336 58.100 -0.007 0.000 1.140 320 Y CB 0.077 38.515 38.460 -0.037 0.000 1.071 320 Y HN 0.042 nan 8.280 nan 0.000 0.525 321 E N -0.809 119.244 120.200 -0.245 0.000 2.086 321 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 321 E C 1.688 178.119 176.600 -0.282 0.000 0.975 321 E CA 1.507 57.685 56.400 -0.371 0.000 0.813 321 E CB 0.160 29.752 29.700 -0.181 0.000 0.768 321 E HN 0.472 nan 8.360 nan 0.000 0.457 322 T N -0.106 114.284 114.554 -0.272 0.000 2.781 322 T HA -0.030 4.320 4.350 -0.000 0.000 0.252 322 T C 1.462 175.948 174.700 -0.356 0.000 1.039 322 T CA 0.796 62.674 62.100 -0.369 0.000 1.147 322 T CB -0.266 68.267 68.868 -0.558 0.000 0.865 322 T HN 0.248 nan 8.240 nan 0.000 0.423 323 H N 1.479 120.493 119.070 -0.094 0.000 2.548 323 H HA 0.231 4.787 4.556 -0.000 0.000 0.268 323 H C 0.643 175.904 175.328 -0.113 0.000 0.975 323 H CA 0.474 56.458 56.048 -0.107 0.000 1.195 323 H CB 0.032 29.717 29.762 -0.129 0.000 1.397 323 H HN 0.384 nan 8.280 nan 0.000 0.572 324 K N 0.220 120.602 120.400 -0.029 0.000 3.069 324 K HA -0.183 4.137 4.320 -0.000 0.000 0.267 324 K C 0.755 177.365 176.600 0.017 0.000 1.082 324 K CA 0.284 56.547 56.287 -0.041 0.000 0.782 324 K CB -1.581 30.882 32.500 -0.063 0.000 1.230 324 K HN 0.314 nan 8.250 nan 0.000 0.488 325 L N -0.119 121.127 121.223 0.039 0.000 2.463 325 L HA 0.230 4.570 4.340 -0.000 0.000 0.219 325 L C 1.168 178.162 176.870 0.206 0.000 1.088 325 L CA 0.263 55.116 54.840 0.022 0.000 0.849 325 L CB 0.195 42.143 42.059 -0.185 0.000 1.012 325 L HN 0.308 nan 8.230 nan 0.000 0.468 326 I N -4.906 115.797 120.570 0.220 0.000 2.969 326 I HA 0.478 4.648 4.170 -0.000 0.000 0.307 326 I C 0.389 176.671 176.117 0.275 0.000 1.149 326 I CA -0.777 60.656 61.300 0.222 0.000 1.008 326 I CB 1.833 39.943 38.000 0.184 0.000 1.232 326 I HN -0.156 nan 8.210 nan 0.000 0.435 327 T N 0.203 114.892 114.554 0.225 0.000 2.689 327 T HA 0.175 4.525 4.350 -0.000 0.000 0.308 327 T C 0.019 174.721 174.700 0.003 0.000 1.021 327 T CA 0.005 62.253 62.100 0.246 0.000 0.973 327 T CB 0.127 69.168 68.868 0.290 0.000 1.113 327 T HN 0.610 nan 8.240 nan 0.000 0.522 328 Y N 3.297 123.431 120.300 -0.277 0.000 2.804 328 Y HA 0.192 4.742 4.550 -0.000 0.000 0.338 328 Y C -1.639 173.929 175.900 -0.553 0.000 1.252 328 Y CA -1.840 55.839 58.100 -0.701 0.000 1.576 328 Y CB 0.378 38.582 38.460 -0.427 0.000 1.223 328 Y HN 0.399 nan 8.280 nan 0.000 0.536 329 P HA 0.053 nan 4.420 nan 0.000 0.255 329 P C -0.074 176.818 177.300 -0.681 0.000 1.248 329 P CA 0.728 63.423 63.100 -0.675 0.000 0.807 329 P CB 0.351 31.759 31.700 -0.487 0.000 1.150 330 R N -0.176 119.634 120.500 -1.150 0.000 3.039 330 R HA 0.311 4.651 4.340 -0.000 0.000 0.336 330 R C 0.264 176.403 176.300 -0.268 0.000 1.258 330 R CA -0.067 55.656 56.100 -0.628 0.000 1.125 330 R CB 0.187 30.166 30.300 -0.534 0.000 1.427 330 R HN -0.006 nan 8.270 nan 0.000 0.588 331 S N 0.732 116.325 115.700 -0.178 0.000 2.541 331 S HA 0.072 4.542 4.470 -0.000 0.000 0.283 331 S C 0.534 175.145 174.600 0.018 0.000 1.196 331 S CA -0.812 57.399 58.200 0.019 0.000 1.062 331 S CB 1.020 64.262 63.200 0.071 0.000 1.009 331 S HN 0.429 nan 8.310 nan 0.000 0.502 332 D N 1.798 122.236 120.400 0.064 0.000 2.340 332 D HA 0.116 4.756 4.640 -0.000 0.000 0.217 332 D C 0.442 176.782 176.300 0.067 0.000 1.081 332 D CA -0.228 53.803 54.000 0.052 0.000 0.842 332 D CB -0.394 40.439 40.800 0.056 0.000 0.934 332 D HN 0.273 nan 8.370 nan 0.000 0.511 333 C N 0.610 119.962 119.300 0.085 0.000 2.366 333 C HA 0.552 5.012 4.460 -0.000 0.000 0.345 333 C C 0.824 175.853 174.990 0.064 0.000 1.209 333 C CA -0.719 58.365 59.018 0.111 0.000 2.050 333 C CB 0.637 28.464 27.740 0.145 0.000 2.359 333 C HN 0.302 nan 8.230 nan 0.000 0.527 334 R N 2.457 122.975 120.500 0.030 0.000 2.577 334 R HA 0.220 4.560 4.340 -0.000 0.000 0.344 334 R C -1.191 174.786 176.300 -0.538 0.000 1.037 334 R CA 0.057 56.014 56.100 -0.238 0.000 1.102 334 R CB 0.335 30.447 30.300 -0.314 0.000 1.313 334 R HN 0.696 nan 8.270 nan 0.000 0.561 335 Y N -0.049 120.194 120.300 -0.095 0.000 2.633 335 Y HA 0.554 5.104 4.550 -0.000 0.000 0.339 335 Y C -0.024 175.790 175.900 -0.142 0.000 1.045 335 Y CA -1.003 57.004 58.100 -0.154 0.000 1.098 335 Y CB 1.759 40.157 38.460 -0.104 0.000 1.296 335 Y HN -0.217 nan 8.280 nan 0.000 0.494 336 L N 2.544 123.734 121.223 -0.056 0.000 2.370 336 L HA 0.561 4.901 4.340 -0.000 0.000 0.266 336 L C -2.708 174.174 176.870 0.020 0.000 1.002 336 L CA -2.347 52.395 54.840 -0.164 0.000 0.818 336 L CB 2.498 44.283 42.059 -0.457 0.000 1.325 336 L HN 0.304 nan 8.230 nan 0.000 0.418 337 P HA 0.068 nan 4.420 nan 0.000 0.268 337 P C -0.091 177.406 177.300 0.327 0.000 1.205 337 P CA -0.042 63.137 63.100 0.131 0.000 0.771 337 P CB 0.598 32.371 31.700 0.123 0.000 0.858 338 E N 1.317 121.686 120.200 0.281 0.000 2.204 338 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 338 E C 1.406 178.162 176.600 0.259 0.000 0.990 338 E CA 1.057 57.628 56.400 0.286 0.000 0.821 338 E CB -0.135 29.657 29.700 0.153 0.000 0.750 338 E HN 0.603 nan 8.360 nan 0.000 0.477 339 E N -0.001 120.351 120.200 0.254 0.000 2.209 339 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 339 E C 1.684 178.417 176.600 0.222 0.000 0.993 339 E CA 0.721 57.245 56.400 0.206 0.000 0.819 339 E CB 0.007 29.817 29.700 0.183 0.000 0.745 339 E HN 0.454 nan 8.360 nan 0.000 0.477 340 H N -1.444 117.754 119.070 0.213 0.000 2.547 340 H HA -0.079 4.477 4.556 -0.000 0.000 0.272 340 H C 1.690 177.106 175.328 0.148 0.000 0.989 340 H CA 0.374 56.571 56.048 0.248 0.000 1.214 340 H CB 0.117 30.101 29.762 0.370 0.000 1.389 340 H HN 0.204 nan 8.280 nan 0.000 0.577 341 F N 1.863 121.713 119.950 -0.166 0.000 2.171 341 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 341 F C 2.491 178.100 175.800 -0.319 0.000 1.090 341 F CA 1.086 58.653 58.000 -0.721 0.000 1.293 341 F CB -0.148 38.307 39.000 -0.908 0.000 1.013 341 F HN 0.050 nan 8.300 nan 0.000 0.486 342 A N -0.186 122.547 122.820 -0.144 0.000 1.969 342 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 342 A C 2.265 179.761 177.584 -0.147 0.000 1.169 342 A CA 1.328 53.281 52.037 -0.140 0.000 0.635 342 A CB -1.560 17.431 19.000 -0.015 0.000 0.810 342 A HN 0.440 nan 8.150 nan 0.000 0.445 343 G N -0.147 108.591 108.800 -0.103 0.000 3.181 343 G HA2 0.079 4.039 3.960 -0.000 0.000 0.219 343 G HA3 0.079 4.039 3.960 -0.000 0.000 0.219 343 G C 1.336 176.208 174.900 -0.046 0.000 1.182 343 G CA 0.410 45.477 45.100 -0.054 0.000 0.791 343 G HN 0.729 nan 8.290 nan 0.000 0.537 344 R N -0.386 120.007 120.500 -0.179 0.000 2.096 344 R HA -0.099 4.240 4.340 -0.000 0.000 0.235 344 R C 1.671 177.830 176.300 -0.236 0.000 1.127 344 R CA 1.244 57.250 56.100 -0.156 0.000 0.968 344 R CB -0.779 29.253 30.300 -0.448 0.000 0.861 344 R HN 0.339 nan 8.270 nan 0.000 0.440 345 H N 1.261 120.246 119.070 -0.143 0.000 2.321 345 H HA 0.020 4.576 4.556 -0.000 0.000 0.300 345 H C 2.351 177.646 175.328 -0.054 0.000 1.087 345 H CA 1.742 57.722 56.048 -0.114 0.000 1.319 345 H CB -0.311 29.381 29.762 -0.117 0.000 1.379 345 H HN 0.448 nan 8.280 nan 0.000 0.501 346 A N 0.937 123.805 122.820 0.079 0.000 1.908 346 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 346 A C 2.873 180.481 177.584 0.041 0.000 1.181 346 A CA 1.781 53.847 52.037 0.048 0.000 0.627 346 A CB -0.894 18.125 19.000 0.032 0.000 0.818 346 A HN 0.211 nan 8.150 nan 0.000 0.445 347 V N -0.170 119.763 119.914 0.031 0.000 2.295 347 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 347 V C 2.629 178.736 176.094 0.020 0.000 1.049 347 V CA 2.279 64.579 62.300 -0.001 0.000 1.024 347 V CB -0.750 31.018 31.823 -0.091 0.000 0.648 347 V HN 0.574 nan 8.190 nan 0.000 0.447 348 M N 0.022 119.650 119.600 0.047 0.000 2.213 348 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 348 M C 2.249 178.584 176.300 0.057 0.000 1.062 348 M CA 1.670 57.006 55.300 0.060 0.000 1.105 348 M CB -0.698 31.906 32.600 0.006 0.000 1.385 348 M HN 0.482 nan 8.290 nan 0.000 0.417 349 N N 0.742 119.471 118.700 0.049 0.000 2.120 349 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 349 N C 1.662 177.200 175.510 0.046 0.000 1.024 349 N CA 1.612 54.685 53.050 0.038 0.000 0.852 349 N CB 0.093 38.596 38.487 0.027 0.000 1.003 349 N HN 0.321 nan 8.380 nan 0.000 0.424 350 A N 1.661 124.529 122.820 0.079 0.000 1.877 350 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 350 A C 2.293 180.007 177.584 0.216 0.000 1.186 350 A CA 1.043 53.169 52.037 0.148 0.000 0.620 350 A CB -0.724 18.395 19.000 0.198 0.000 0.822 350 A HN 0.360 nan 8.150 nan 0.000 0.443 351 I N 0.854 121.547 120.570 0.205 0.000 2.151 351 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 351 I C 2.882 179.104 176.117 0.174 0.000 1.080 351 I CA 1.858 63.302 61.300 0.240 0.000 1.339 351 I CB -0.431 37.663 38.000 0.156 0.000 1.039 351 I HN 0.536 nan 8.210 nan 0.000 0.409 352 S N 0.150 115.907 115.700 0.095 0.000 2.419 352 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 352 S C 1.858 176.464 174.600 0.010 0.000 1.016 352 S CA 1.125 59.357 58.200 0.053 0.000 0.974 352 S CB -0.682 62.537 63.200 0.031 0.000 0.786 352 S HN 0.272 nan 8.310 nan 0.000 0.492 353 V N 1.513 121.400 119.914 -0.045 0.000 2.331 353 V HA -0.010 4.110 4.120 -0.000 0.000 0.242 353 V C 2.246 178.214 176.094 -0.210 0.000 1.034 353 V CA 1.780 63.968 62.300 -0.186 0.000 1.027 353 V CB -0.873 30.736 31.823 -0.356 0.000 0.667 353 V HN 0.572 nan 8.190 nan 0.000 0.457 354 H N -0.236 118.839 119.070 0.009 0.000 2.535 354 H HA 0.462 5.018 4.556 -0.000 0.000 0.273 354 H C 0.921 176.271 175.328 0.036 0.000 0.983 354 H CA 0.745 56.745 56.048 -0.080 0.000 1.238 354 H CB 0.194 29.747 29.762 -0.349 0.000 1.412 354 H HN 0.439 nan 8.280 nan 0.000 0.562 355 A N 0.797 123.765 122.820 0.246 0.000 3.370 355 A HA 0.228 4.548 4.320 -0.000 0.000 0.295 355 A C -1.996 175.670 177.584 0.138 0.000 1.030 355 A CA -1.018 51.153 52.037 0.224 0.000 0.883 355 A CB 0.471 19.668 19.000 0.328 0.000 1.191 355 A HN 0.016 nan 8.150 nan 0.000 0.507 356 P HA -0.097 nan 4.420 nan 0.000 0.228 356 P C 0.232 177.567 177.300 0.059 0.000 1.151 356 P CA 1.006 64.139 63.100 0.055 0.000 0.770 356 P CB 0.337 32.053 31.700 0.026 0.000 0.786 357 D N -0.440 120.002 120.400 0.070 0.000 2.269 357 D HA -0.009 4.631 4.640 -0.000 0.000 0.208 357 D C 1.994 178.340 176.300 0.075 0.000 0.963 357 D CA 0.693 54.733 54.000 0.067 0.000 0.864 357 D CB -0.385 40.458 40.800 0.071 0.000 0.936 357 D HN 0.248 nan 8.370 nan 0.000 0.505 358 L N -0.594 120.684 121.223 0.091 0.000 2.270 358 L HA 0.127 4.467 4.340 -0.000 0.000 0.210 358 L C 0.712 177.634 176.870 0.086 0.000 1.104 358 L CA 0.518 55.416 54.840 0.097 0.000 0.804 358 L CB 0.262 42.391 42.059 0.117 0.000 0.937 358 L HN -0.083 nan 8.230 nan 0.000 0.450 359 L N -0.281 120.988 121.223 0.076 0.000 2.409 359 L HA 0.455 4.795 4.340 -0.000 0.000 0.262 359 L C -2.379 174.518 176.870 0.045 0.000 0.992 359 L CA -1.770 53.108 54.840 0.063 0.000 0.817 359 L CB 2.578 44.677 42.059 0.067 0.000 1.350 359 L HN -0.194 nan 8.230 nan 0.000 0.411 360 P HA 0.289 nan 4.420 nan 0.000 0.278 360 P C -1.684 175.640 177.300 0.040 0.000 1.258 360 P CA -0.604 62.518 63.100 0.036 0.000 0.811 360 P CB 1.509 33.224 31.700 0.025 0.000 1.063 361 Q N 0.772 120.598 119.800 0.043 0.000 2.444 361 Q HA 0.226 4.566 4.340 -0.000 0.000 0.239 361 Q C -2.109 173.918 176.000 0.046 0.000 0.853 361 Q CA -1.402 54.428 55.803 0.046 0.000 0.856 361 Q CB 1.726 30.500 28.738 0.060 0.000 1.413 361 Q HN 0.141 nan 8.270 nan 0.000 0.437 362 P HA -0.266 nan 4.420 nan 0.000 0.218 362 P C 1.133 178.461 177.300 0.047 0.000 1.154 362 P CA 1.226 64.347 63.100 0.035 0.000 0.872 362 P CB 0.230 31.947 31.700 0.027 0.000 0.790 363 V N -0.804 119.142 119.914 0.052 0.000 2.324 363 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 363 V C 1.411 177.563 176.094 0.096 0.000 1.060 363 V CA 1.167 63.508 62.300 0.068 0.000 1.042 363 V CB -1.136 30.729 31.823 0.069 0.000 0.650 363 V HN -0.047 nan 8.190 nan 0.000 0.450 364 V N 2.503 122.477 119.914 0.099 0.000 2.416 364 V HA 0.026 4.146 4.120 -0.000 0.000 0.267 364 V C 0.056 176.205 176.094 0.092 0.000 1.007 364 V CA 0.345 62.717 62.300 0.120 0.000 1.102 364 V CB 0.013 31.892 31.823 0.093 0.000 1.035 364 V HN 0.466 nan 8.190 nan 0.000 0.473 365 D N 7.888 128.371 120.400 0.139 0.000 2.427 365 D HA 0.361 5.001 4.640 -0.000 0.000 0.226 365 D C -1.761 174.626 176.300 0.145 0.000 1.076 365 D CA -2.377 51.694 54.000 0.117 0.000 0.849 365 D CB 2.202 43.078 40.800 0.126 0.000 1.052 365 D HN 0.207 nan 8.370 nan 0.000 0.515 366 P HA 0.014 nan 4.420 nan 0.000 0.242 366 P C 0.533 177.878 177.300 0.075 0.000 1.197 366 P CA 0.435 63.446 63.100 -0.148 0.000 0.765 366 P CB 0.405 31.959 31.700 -0.243 0.000 0.936 367 D N -0.743 119.751 120.400 0.156 0.000 2.323 367 D HA 0.001 4.641 4.640 -0.000 0.000 0.209 367 D C 0.517 176.980 176.300 0.272 0.000 0.973 367 D CA 0.182 54.301 54.000 0.198 0.000 0.874 367 D CB -0.264 40.614 40.800 0.130 0.000 0.930 367 D HN 0.083 nan 8.370 nan 0.000 0.521 368 I N 1.273 122.032 120.570 0.314 0.000 2.416 368 I HA 0.157 4.327 4.170 -0.000 0.000 0.288 368 I C 0.502 176.798 176.117 0.299 0.000 1.051 368 I CA -0.171 61.281 61.300 0.253 0.000 1.375 368 I CB 0.966 39.089 38.000 0.205 0.000 1.407 368 I HN -0.144 nan 8.210 nan 0.000 0.516 369 R N 6.581 127.113 120.500 0.053 0.000 2.335 369 R HA 0.210 4.550 4.340 -0.000 0.000 0.302 369 R C -0.250 176.018 176.300 -0.054 0.000 1.147 369 R CA -0.577 55.389 56.100 -0.224 0.000 1.111 369 R CB 0.277 30.139 30.300 -0.730 0.000 1.122 369 R HN 0.764 nan 8.270 nan 0.000 0.557 370 N N 2.689 121.440 118.700 0.084 0.000 2.443 370 N HA 0.009 4.749 4.740 -0.000 0.000 0.294 370 N C 0.811 176.361 175.510 0.065 0.000 1.289 370 N CA -0.399 52.672 53.050 0.035 0.000 0.966 370 N CB 0.250 38.708 38.487 -0.048 0.000 1.122 370 N HN 0.504 nan 8.380 nan 0.000 0.569 371 R N -1.028 119.465 120.500 -0.012 0.000 2.241 371 R HA -0.087 4.253 4.340 -0.000 0.000 0.224 371 R C 1.712 178.027 176.300 0.026 0.000 1.101 371 R CA 1.551 57.660 56.100 0.014 0.000 0.995 371 R CB -1.287 29.017 30.300 0.006 0.000 0.870 371 R HN 0.670 nan 8.270 nan 0.000 0.463 372 C N -0.585 118.601 119.300 -0.190 0.000 2.481 372 C HA 0.153 4.613 4.460 -0.000 0.000 0.275 372 C C 0.516 175.318 174.990 -0.314 0.000 1.419 372 C CA -1.259 57.526 59.018 -0.388 0.000 1.773 372 C CB -1.248 26.032 27.740 -0.768 0.000 1.862 372 C HN 0.542 nan 8.230 nan 0.000 0.530 373 W N 2.500 123.801 121.300 0.002 0.000 2.318 373 W HA 0.518 5.178 4.660 -0.000 0.000 0.362 373 W C -0.018 176.506 176.519 0.007 0.000 0.978 373 W CA -0.372 56.977 57.345 0.008 0.000 1.509 373 W CB -0.092 29.337 29.460 -0.052 0.000 1.437 373 W HN 0.220 nan 8.180 nan 0.000 0.361 374 D N 2.022 122.524 120.400 0.170 0.000 2.365 374 D HA 0.028 4.668 4.640 -0.000 0.000 0.235 374 D C 0.593 176.895 176.300 0.003 0.000 1.368 374 D CA -0.245 53.783 54.000 0.047 0.000 1.001 374 D CB 1.039 41.804 40.800 -0.058 0.000 1.364 374 D HN 0.121 nan 8.370 nan 0.000 0.577 375 D N 2.088 122.504 120.400 0.027 0.000 2.149 375 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 375 D C 1.404 177.688 176.300 -0.025 0.000 0.990 375 D CA 0.904 54.916 54.000 0.021 0.000 0.839 375 D CB 0.444 41.266 40.800 0.036 0.000 0.948 375 D HN 0.481 nan 8.370 nan 0.000 0.460 376 K N 0.405 120.769 120.400 -0.060 0.000 2.360 376 K HA -0.056 4.264 4.320 -0.000 0.000 0.201 376 K C 1.389 177.902 176.600 -0.144 0.000 1.046 376 K CA 0.715 56.951 56.287 -0.086 0.000 0.945 376 K CB 0.211 32.660 32.500 -0.085 0.000 0.750 376 K HN 0.121 nan 8.250 nan 0.000 0.464 377 K N 0.595 120.856 120.400 -0.231 0.000 2.387 377 K HA 0.141 4.461 4.320 -0.000 0.000 0.203 377 K C -0.322 176.190 176.600 -0.147 0.000 1.030 377 K CA 0.000 56.079 56.287 -0.347 0.000 1.099 377 K CB 1.196 33.118 32.500 -0.963 0.000 0.863 377 K HN -0.137 nan 8.250 nan 0.000 0.529 378 V N 3.803 123.691 119.914 -0.043 0.000 2.406 378 V HA -0.006 4.114 4.120 -0.000 0.000 0.272 378 V C 0.262 176.367 176.094 0.018 0.000 1.043 378 V CA -0.370 61.956 62.300 0.044 0.000 0.915 378 V CB 0.876 32.742 31.823 0.072 0.000 0.988 378 V HN 0.331 nan 8.190 nan 0.000 0.466 379 D N 5.378 125.797 120.400 0.031 0.000 2.311 379 D HA 0.311 4.951 4.640 -0.000 0.000 0.278 379 D C 1.623 177.895 176.300 -0.047 0.000 1.189 379 D CA 0.203 54.205 54.000 0.003 0.000 1.117 379 D CB 0.109 40.923 40.800 0.024 0.000 1.168 379 D HN 0.404 nan 8.370 nan 0.000 0.509 380 A N -1.712 121.055 122.820 -0.089 0.000 2.121 380 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 380 A C 0.309 177.494 177.584 -0.665 0.000 1.154 380 A CA 0.992 52.844 52.037 -0.309 0.000 0.679 380 A CB -0.684 18.152 19.000 -0.274 0.000 0.795 380 A HN 0.498 nan 8.150 nan 0.000 0.458 381 H N -2.289 116.741 119.070 -0.067 0.000 3.016 381 H HA 0.416 4.972 4.556 -0.000 0.000 0.362 381 H C -1.035 174.274 175.328 -0.032 0.000 1.233 381 H CA -0.456 55.520 56.048 -0.121 0.000 1.124 381 H CB 1.168 30.849 29.762 -0.135 0.000 1.850 381 H HN 0.602 nan 8.280 nan 0.000 0.549 382 H N -0.508 118.643 119.070 0.135 0.000 2.630 382 H HA 0.718 5.274 4.556 -0.000 0.000 0.343 382 H C 0.013 175.379 175.328 0.064 0.000 1.232 382 H CA -0.596 55.488 56.048 0.060 0.000 1.294 382 H CB 0.417 30.157 29.762 -0.036 0.000 1.746 382 H HN 0.736 nan 8.280 nan 0.000 0.593 383 A N 0.750 123.712 122.820 0.236 0.000 2.536 383 A HA 0.171 4.491 4.320 -0.000 0.000 0.234 383 A C 0.243 177.936 177.584 0.181 0.000 1.076 383 A CA -0.232 51.885 52.037 0.133 0.000 0.769 383 A CB -0.647 18.359 19.000 0.011 0.000 1.020 383 A HN 0.651 nan 8.150 nan 0.000 0.508 384 I N 2.132 122.761 120.570 0.098 0.000 2.436 384 I HA 0.257 4.427 4.170 -0.000 0.000 0.289 384 I C 0.211 176.397 176.117 0.115 0.000 1.083 384 I CA 0.460 61.810 61.300 0.083 0.000 1.372 384 I CB -0.550 37.471 38.000 0.036 0.000 1.408 384 I HN 0.556 nan 8.210 nan 0.000 0.516 385 I N 4.925 125.574 120.570 0.132 0.000 3.042 385 I HA 0.699 4.869 4.170 -0.000 0.000 0.310 385 I C -2.867 173.248 176.117 -0.003 0.000 1.117 385 I CA -2.929 58.408 61.300 0.062 0.000 1.003 385 I CB 2.026 40.090 38.000 0.107 0.000 1.228 385 I HN 0.131 nan 8.210 nan 0.000 0.443 386 P HA 0.165 nan 4.420 nan 0.000 0.271 386 P C -0.391 176.910 177.300 0.003 0.000 1.218 386 P CA -0.066 62.993 63.100 -0.067 0.000 0.780 386 P CB 0.589 32.188 31.700 -0.169 0.000 0.901 387 T N -1.495 113.126 114.554 0.111 0.000 2.816 387 T HA 0.423 4.773 4.350 -0.000 0.000 0.282 387 T C 1.143 175.896 174.700 0.090 0.000 0.993 387 T CA -0.390 61.775 62.100 0.109 0.000 0.994 387 T CB 0.523 69.465 68.868 0.122 0.000 1.025 387 T HN 0.308 nan 8.240 nan 0.000 0.529 388 A N 0.270 123.135 122.820 0.076 0.000 2.252 388 A HA 0.179 4.499 4.320 -0.000 0.000 0.207 388 A C 1.254 178.890 177.584 0.085 0.000 1.194 388 A CA -0.134 51.945 52.037 0.069 0.000 0.809 388 A CB -0.685 18.343 19.000 0.046 0.000 0.814 388 A HN 0.785 nan 8.150 nan 0.000 0.482 389 R N 0.956 121.517 120.500 0.102 0.000 2.351 389 R HA 0.165 4.505 4.340 -0.000 0.000 0.318 389 R C 0.835 177.265 176.300 0.218 0.000 1.055 389 R CA 0.699 56.866 56.100 0.113 0.000 0.968 389 R CB 0.342 30.687 30.300 0.075 0.000 0.974 389 R HN 0.401 nan 8.270 nan 0.000 0.439 390 S N 0.865 116.650 115.700 0.142 0.000 2.526 390 S HA 0.011 4.481 4.470 -0.000 0.000 0.220 390 S C 0.359 174.951 174.600 -0.014 0.000 1.017 390 S CA -0.194 58.047 58.200 0.068 0.000 0.930 390 S CB 0.262 63.466 63.200 0.006 0.000 0.856 390 S HN 0.571 nan 8.310 nan 0.000 0.497 391 S N 2.128 117.858 115.700 0.049 0.000 2.563 391 S HA 0.565 5.035 4.470 -0.000 0.000 0.284 391 S C 0.435 175.065 174.600 0.049 0.000 1.331 391 S CA -0.324 57.891 58.200 0.024 0.000 1.047 391 S CB 0.284 63.503 63.200 0.032 0.000 0.859 391 S HN 0.748 nan 8.310 nan 0.000 0.514 392 A N 2.436 125.254 122.820 -0.004 0.000 2.477 392 A HA 0.583 4.903 4.320 -0.000 0.000 0.246 392 A C -0.020 177.599 177.584 0.059 0.000 1.078 392 A CA -0.415 51.618 52.037 -0.006 0.000 0.770 392 A CB -0.454 18.524 19.000 -0.037 0.000 1.011 392 A HN 0.828 nan 8.150 nan 0.000 0.494 393 I N 1.930 122.553 120.570 0.089 0.000 2.619 393 I HA 0.171 4.341 4.170 -0.000 0.000 0.292 393 I C -0.466 175.617 176.117 -0.057 0.000 1.100 393 I CA -0.487 60.818 61.300 0.009 0.000 1.043 393 I CB 2.385 40.359 38.000 -0.044 0.000 1.239 393 I HN 0.753 nan 8.210 nan 0.000 0.420 394 N N 6.281 124.936 118.700 -0.076 0.000 2.470 394 N HA 0.476 5.216 4.740 -0.000 0.000 0.268 394 N C -1.244 174.159 175.510 -0.179 0.000 1.136 394 N CA -0.188 52.807 53.050 -0.092 0.000 0.961 394 N CB 0.785 39.242 38.487 -0.050 0.000 1.067 394 N HN 0.299 nan 8.380 nan 0.000 0.468 395 L N 1.253 122.377 121.223 -0.165 0.000 2.342 395 L HA 0.469 4.809 4.340 -0.000 0.000 0.271 395 L C 0.847 177.645 176.870 -0.121 0.000 1.008 395 L CA -1.006 53.711 54.840 -0.205 0.000 0.818 395 L CB 1.879 43.809 42.059 -0.215 0.000 1.296 395 L HN 0.559 nan 8.230 nan 0.000 0.427 396 T N -2.809 111.682 114.554 -0.104 0.000 2.828 396 T HA 0.064 4.414 4.350 -0.000 0.000 0.290 396 T C 0.918 175.569 174.700 -0.081 0.000 1.019 396 T CA -0.319 61.739 62.100 -0.071 0.000 1.031 396 T CB 1.282 70.120 68.868 -0.050 0.000 1.001 396 T HN 0.773 nan 8.240 nan 0.000 0.531 397 E N 0.618 120.772 120.200 -0.076 0.000 2.085 397 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 397 E C 1.761 178.277 176.600 -0.140 0.000 0.994 397 E CA 1.385 57.727 56.400 -0.096 0.000 0.801 397 E CB -0.066 29.583 29.700 -0.085 0.000 0.743 397 E HN 0.619 nan 8.360 nan 0.000 0.453 398 N N 0.625 119.248 118.700 -0.128 0.000 2.171 398 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 398 N C 1.556 176.996 175.510 -0.117 0.000 1.021 398 N CA 0.974 53.933 53.050 -0.152 0.000 0.854 398 N CB -0.215 38.208 38.487 -0.106 0.000 0.994 398 N HN 0.284 nan 8.380 nan 0.000 0.426 399 E N 0.863 121.015 120.200 -0.079 0.000 2.097 399 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 399 E C 1.853 178.433 176.600 -0.033 0.000 1.000 399 E CA 1.285 57.653 56.400 -0.054 0.000 0.804 399 E CB -0.084 29.563 29.700 -0.089 0.000 0.740 399 E HN 0.361 nan 8.360 nan 0.000 0.454 400 A N 1.375 124.158 122.820 -0.062 0.000 1.929 400 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 400 A C 1.922 179.508 177.584 0.004 0.000 1.176 400 A CA 1.262 53.291 52.037 -0.013 0.000 0.628 400 A CB -0.184 18.793 19.000 -0.039 0.000 0.816 400 A HN 0.037 nan 8.150 nan 0.000 0.444 401 K N -0.421 119.899 120.400 -0.135 0.000 2.057 401 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 401 K C 1.867 178.438 176.600 -0.048 0.000 1.049 401 K CA 1.411 57.545 56.287 -0.254 0.000 0.931 401 K CB -0.299 31.686 32.500 -0.858 0.000 0.714 401 K HN 0.301 nan 8.250 nan 0.000 0.440 402 V N 0.461 120.359 119.914 -0.025 0.000 2.283 402 V HA -0.246 3.874 4.120 -0.000 0.000 0.243 402 V C 2.007 178.166 176.094 0.108 0.000 1.039 402 V CA 1.554 63.885 62.300 0.051 0.000 1.016 402 V CB -0.545 31.287 31.823 0.016 0.000 0.650 402 V HN 0.254 nan 8.190 nan 0.000 0.449 403 Y N 1.665 121.971 120.300 0.010 0.000 2.114 403 Y HA -0.321 4.229 4.550 -0.000 0.000 0.282 403 Y C 2.685 178.632 175.900 0.078 0.000 1.165 403 Y CA 2.305 60.423 58.100 0.031 0.000 1.148 403 Y CB -0.445 38.009 38.460 -0.010 0.000 0.972 403 Y HN 0.285 nan 8.280 nan 0.000 0.504 404 N N 0.628 119.432 118.700 0.173 0.000 2.069 404 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 404 N C 1.921 177.500 175.510 0.115 0.000 1.031 404 N CA 2.005 55.136 53.050 0.135 0.000 0.852 404 N CB -0.440 38.150 38.487 0.171 0.000 1.018 404 N HN 0.514 nan 8.380 nan 0.000 0.423 405 L N 0.755 122.086 121.223 0.179 0.000 2.042 405 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 405 L C 2.467 179.521 176.870 0.307 0.000 1.076 405 L CA 0.972 55.978 54.840 0.277 0.000 0.749 405 L CB -0.359 41.873 42.059 0.288 0.000 0.893 405 L HN 0.189 nan 8.230 nan 0.000 0.432 406 I N -0.410 120.262 120.570 0.171 0.000 2.226 406 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 406 I C 2.754 178.860 176.117 -0.019 0.000 1.100 406 I CA 1.230 62.609 61.300 0.131 0.000 1.374 406 I CB -0.425 37.572 38.000 -0.006 0.000 1.057 406 I HN 0.206 nan 8.210 nan 0.000 0.413 407 A N 0.543 123.257 122.820 -0.176 0.000 1.897 407 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 407 A C 2.438 180.061 177.584 0.064 0.000 1.181 407 A CA 1.384 53.339 52.037 -0.137 0.000 0.620 407 A CB -0.589 18.245 19.000 -0.275 0.000 0.821 407 A HN 0.300 nan 8.150 nan 0.000 0.443 408 R N -0.787 119.754 120.500 0.068 0.000 2.091 408 R HA -0.233 4.107 4.340 -0.000 0.000 0.238 408 R C 2.362 178.692 176.300 0.049 0.000 1.136 408 R CA 2.043 58.202 56.100 0.099 0.000 0.959 408 R CB -0.230 30.143 30.300 0.122 0.000 0.856 408 R HN 0.582 nan 8.270 nan 0.000 0.437 409 Q N -0.773 118.999 119.800 -0.048 0.000 2.119 409 Q HA -0.197 4.143 4.340 -0.000 0.000 0.201 409 Q C 1.697 177.591 176.000 -0.177 0.000 0.972 409 Q CA 1.689 57.327 55.803 -0.275 0.000 0.847 409 Q CB -0.349 27.909 28.738 -0.800 0.000 0.903 409 Q HN 0.479 nan 8.270 nan 0.000 0.433 410 Y N 0.105 120.313 120.300 -0.153 0.000 2.128 410 Y HA -0.232 4.318 4.550 -0.000 0.000 0.284 410 Y C 1.526 177.481 175.900 0.091 0.000 1.154 410 Y CA 1.789 59.858 58.100 -0.053 0.000 1.149 410 Y CB -0.115 38.362 38.460 0.028 0.000 0.976 410 Y HN 0.132 nan 8.280 nan 0.000 0.505 411 L N -0.584 120.776 121.223 0.227 0.000 2.141 411 L HA -0.260 4.080 4.340 -0.000 0.000 0.209 411 L C 2.476 179.451 176.870 0.175 0.000 1.094 411 L CA 1.345 56.350 54.840 0.275 0.000 0.763 411 L CB -0.493 41.710 42.059 0.239 0.000 0.908 411 L HN 0.327 nan 8.230 nan 0.000 0.437 412 M N -0.833 118.789 119.600 0.036 0.000 2.260 412 M HA -0.233 4.247 4.480 -0.000 0.000 0.261 412 M C 1.961 178.179 176.300 -0.137 0.000 1.066 412 M CA 1.383 56.674 55.300 -0.015 0.000 1.082 412 M CB -0.240 32.281 32.600 -0.131 0.000 1.388 412 M HN 0.249 nan 8.290 nan 0.000 0.419 413 Q N -0.801 118.810 119.800 -0.314 0.000 2.488 413 Q HA -0.004 4.336 4.340 -0.000 0.000 0.211 413 Q C 0.797 176.475 176.000 -0.537 0.000 0.967 413 Q CA 1.115 56.601 55.803 -0.527 0.000 0.926 413 Q CB -0.197 28.050 28.738 -0.818 0.000 0.992 413 Q HN 0.558 nan 8.270 nan 0.000 0.506 414 F N -1.189 118.766 119.950 0.009 0.000 2.668 414 F HA 0.191 4.718 4.527 -0.000 0.000 0.301 414 F C 0.323 176.164 175.800 0.069 0.000 1.106 414 F CA -0.599 57.437 58.000 0.059 0.000 1.289 414 F CB 0.611 39.632 39.000 0.034 0.000 1.006 414 F HN -0.160 nan 8.300 nan 0.000 0.535 415 C N 0.905 120.308 119.300 0.171 0.000 2.435 415 C HA 0.544 5.004 4.460 -0.000 0.000 0.333 415 C C -1.891 173.194 174.990 0.159 0.000 1.202 415 C CA -1.795 57.331 59.018 0.179 0.000 1.830 415 C CB 1.377 29.251 27.740 0.224 0.000 2.326 415 C HN 0.062 nan 8.230 nan 0.000 0.507 416 P HA 0.094 nan 4.420 nan 0.000 0.270 416 P C -0.509 176.914 177.300 0.204 0.000 1.227 416 P CA 0.109 63.288 63.100 0.132 0.000 0.788 416 P CB 0.383 32.139 31.700 0.094 0.000 0.926 417 D N -0.328 120.182 120.400 0.183 0.000 2.449 417 D HA 0.194 4.833 4.640 -0.000 0.000 0.236 417 D C 0.387 176.812 176.300 0.209 0.000 1.149 417 D CA 0.405 54.562 54.000 0.260 0.000 0.878 417 D CB 0.159 41.060 40.800 0.169 0.000 1.198 417 D HN 0.324 nan 8.370 nan 0.000 0.446 418 A N 1.505 124.467 122.820 0.236 0.000 2.371 418 A HA 0.431 4.751 4.320 -0.000 0.000 0.257 418 A C -0.263 177.329 177.584 0.013 0.000 1.089 418 A CA -0.447 51.553 52.037 -0.062 0.000 0.794 418 A CB 0.595 19.440 19.000 -0.257 0.000 1.029 418 A HN 0.317 nan 8.150 nan 0.000 0.488 419 V N 2.480 122.314 119.914 -0.134 0.000 2.487 419 V HA 0.464 4.584 4.120 -0.000 0.000 0.298 419 V C -0.835 175.158 176.094 -0.170 0.000 1.028 419 V CA -0.234 62.045 62.300 -0.034 0.000 0.860 419 V CB 0.990 32.810 31.823 -0.005 0.000 0.991 419 V HN 0.732 nan 8.190 nan 0.000 0.427 420 F N 3.179 123.135 119.950 0.011 0.000 2.440 420 F HA 0.684 5.211 4.527 -0.000 0.000 0.328 420 F C 0.720 176.534 175.800 0.023 0.000 1.070 420 F CA -0.741 57.267 58.000 0.014 0.000 1.011 420 F CB 1.509 40.510 39.000 0.001 0.000 1.226 420 F HN 0.235 nan 8.300 nan 0.000 0.491 421 R N 1.511 122.148 120.500 0.228 0.000 2.409 421 R HA 0.307 4.647 4.340 -0.000 0.000 0.313 421 R C -0.924 175.463 176.300 0.144 0.000 0.953 421 R CA -0.899 55.287 56.100 0.144 0.000 0.849 421 R CB 1.915 32.271 30.300 0.094 0.000 1.171 421 R HN 0.485 nan 8.270 nan 0.000 0.458 422 K N 2.969 123.416 120.400 0.078 0.000 2.234 422 K HA 0.264 4.584 4.320 -0.000 0.000 0.277 422 K C -1.083 175.498 176.600 -0.033 0.000 1.038 422 K CA -0.400 55.904 56.287 0.030 0.000 0.888 422 K CB 1.271 33.769 32.500 -0.005 0.000 1.091 422 K HN 0.557 nan 8.250 nan 0.000 0.467 423 C N 5.345 124.620 119.300 -0.042 0.000 2.298 423 C HA 0.613 5.073 4.460 -0.000 0.000 0.323 423 C C -0.857 174.041 174.990 -0.153 0.000 1.284 423 C CA -0.429 58.499 59.018 -0.150 0.000 1.577 423 C CB 0.090 27.768 27.740 -0.105 0.000 2.249 423 C HN 0.562 nan 8.230 nan 0.000 0.497 424 V N 8.023 127.799 119.914 -0.229 0.000 2.487 424 V HA 0.526 4.646 4.120 -0.000 0.000 0.298 424 V C -0.225 175.781 176.094 -0.148 0.000 1.028 424 V CA -0.307 61.908 62.300 -0.142 0.000 0.860 424 V CB 1.582 33.352 31.823 -0.089 0.000 0.991 424 V HN 0.766 nan 8.190 nan 0.000 0.427 425 I N 4.042 124.587 120.570 -0.043 0.000 2.406 425 I HA 0.489 4.659 4.170 -0.000 0.000 0.290 425 I C -0.145 176.044 176.117 0.119 0.000 0.999 425 I CA -0.428 60.909 61.300 0.062 0.000 1.124 425 I CB 1.868 39.902 38.000 0.057 0.000 1.289 425 I HN 0.613 nan 8.210 nan 0.000 0.441 426 E N 7.208 127.488 120.200 0.133 0.000 2.171 426 E HA 0.668 5.018 4.350 -0.000 0.000 0.271 426 E C -1.202 175.506 176.600 0.180 0.000 0.916 426 E CA -0.710 55.779 56.400 0.148 0.000 0.774 426 E CB 2.605 32.368 29.700 0.105 0.000 1.128 426 E HN 0.414 nan 8.360 nan 0.000 0.403 427 L N 1.640 122.997 121.223 0.223 0.000 2.341 427 L HA 0.442 4.782 4.340 -0.000 0.000 0.267 427 L C -0.629 176.379 176.870 0.230 0.000 1.009 427 L CA -1.031 53.935 54.840 0.210 0.000 0.819 427 L CB 1.955 44.136 42.059 0.204 0.000 1.323 427 L HN 0.480 nan 8.230 nan 0.000 0.425 428 D N 2.096 122.594 120.400 0.163 0.000 2.349 428 D HA 0.581 5.221 4.640 -0.000 0.000 0.232 428 D C -1.090 175.271 176.300 0.101 0.000 1.071 428 D CA -0.121 53.976 54.000 0.162 0.000 0.832 428 D CB 0.887 41.754 40.800 0.112 0.000 1.086 428 D HN 0.320 nan 8.370 nan 0.000 0.504 429 I N 3.193 123.839 120.570 0.127 0.000 2.468 429 I HA 0.464 4.633 4.170 -0.000 0.000 0.284 429 I C 0.255 176.385 176.117 0.023 0.000 1.038 429 I CA -1.231 60.043 61.300 -0.042 0.000 1.083 429 I CB 1.900 39.669 38.000 -0.386 0.000 1.223 429 I HN 0.632 nan 8.210 nan 0.000 0.443 430 A N 5.695 128.510 122.820 -0.008 0.000 2.687 430 A HA -0.219 4.101 4.320 -0.000 0.000 0.299 430 A C 1.165 178.780 177.584 0.051 0.000 1.497 430 A CA 0.877 52.912 52.037 -0.003 0.000 0.751 430 A CB -1.245 17.723 19.000 -0.055 0.000 1.048 430 A HN 0.844 nan 8.150 nan 0.000 0.464 431 K N -4.002 116.444 120.400 0.077 0.000 3.274 431 K HA -0.222 4.098 4.320 -0.000 0.000 0.305 431 K C 0.612 177.303 176.600 0.152 0.000 1.225 431 K CA 1.692 58.039 56.287 0.099 0.000 0.904 431 K CB -2.262 30.282 32.500 0.072 0.000 1.227 431 K HN 2.021 nan 8.250 nan 0.000 0.453 432 G N 0.429 109.364 108.800 0.224 0.000 2.471 432 G HA2 0.514 4.474 3.960 -0.000 0.000 0.332 432 G HA3 0.514 4.474 3.960 -0.000 0.000 0.332 432 G C -0.997 174.138 174.900 0.393 0.000 1.176 432 G CA -0.623 44.673 45.100 0.326 0.000 0.949 432 G HN 0.018 nan 8.290 nan 0.000 0.488 433 K N 0.394 120.966 120.400 0.288 0.000 2.235 433 K HA 0.523 4.843 4.320 -0.000 0.000 0.266 433 K C -1.552 175.087 176.600 0.064 0.000 0.980 433 K CA -0.465 55.948 56.287 0.210 0.000 0.849 433 K CB 0.862 33.416 32.500 0.091 0.000 1.098 433 K HN 0.304 nan 8.250 nan 0.000 0.445 434 F N 3.017 123.081 119.950 0.190 0.000 2.540 434 F HA 0.352 4.879 4.527 -0.000 0.000 0.317 434 F C -0.217 175.672 175.800 0.148 0.000 1.104 434 F CA -0.959 57.154 58.000 0.188 0.000 0.913 434 F CB 2.117 41.215 39.000 0.163 0.000 1.170 434 F HN 0.191 nan 8.300 nan 0.000 0.450 435 V N 0.437 120.514 119.914 0.272 0.000 2.789 435 V HA 0.984 5.104 4.120 -0.000 0.000 0.311 435 V C -1.066 175.152 176.094 0.207 0.000 1.073 435 V CA -0.881 61.537 62.300 0.197 0.000 0.921 435 V CB 1.351 33.233 31.823 0.099 0.000 1.009 435 V HN 0.964 nan 8.190 nan 0.000 0.426 436 A N 4.076 127.009 122.820 0.188 0.000 2.318 436 A HA 0.871 5.191 4.320 -0.000 0.000 0.317 436 A C -0.344 177.270 177.584 0.051 0.000 1.159 436 A CA -0.822 51.308 52.037 0.155 0.000 0.799 436 A CB 1.270 20.393 19.000 0.206 0.000 1.194 436 A HN 0.944 nan 8.150 nan 0.000 0.479 437 K N 0.563 120.993 120.400 0.050 0.000 2.267 437 K HA 0.821 5.141 4.320 -0.000 0.000 0.246 437 K C -0.775 175.850 176.600 0.040 0.000 0.954 437 K CA -0.566 55.732 56.287 0.018 0.000 0.824 437 K CB 2.578 35.084 32.500 0.010 0.000 1.167 437 K HN 0.910 nan 8.250 nan 0.000 0.431 438 A N 2.028 124.874 122.820 0.044 0.000 2.517 438 A HA 0.559 4.879 4.320 -0.000 0.000 0.297 438 A C -1.502 176.150 177.584 0.113 0.000 1.050 438 A CA -0.668 51.446 52.037 0.127 0.000 0.694 438 A CB 1.497 20.633 19.000 0.227 0.000 1.277 438 A HN 0.720 nan 8.150 nan 0.000 0.400 439 R N 1.928 122.450 120.500 0.037 0.000 2.483 439 R HA 0.698 5.038 4.340 -0.000 0.000 0.303 439 R C -2.151 174.102 176.300 -0.078 0.000 0.987 439 R CA -0.306 55.810 56.100 0.027 0.000 0.881 439 R CB 0.869 31.124 30.300 -0.075 0.000 1.177 439 R HN 0.594 nan 8.270 nan 0.000 0.451 440 F N 3.612 123.670 119.950 0.181 0.000 2.569 440 F HA 0.315 4.842 4.527 -0.000 0.000 0.312 440 F C -0.358 175.497 175.800 0.091 0.000 1.109 440 F CA -1.013 57.077 58.000 0.150 0.000 0.919 440 F CB 1.727 40.757 39.000 0.050 0.000 1.211 440 F HN 0.329 nan 8.300 nan 0.000 0.446 441 L N 3.331 124.578 121.223 0.040 0.000 2.513 441 L HA 0.365 4.705 4.340 -0.000 0.000 0.272 441 L C 0.473 177.210 176.870 -0.222 0.000 1.187 441 L CA 0.696 55.222 54.840 -0.523 0.000 0.895 441 L CB 0.510 42.218 42.059 -0.585 0.000 1.147 441 L HN 0.807 nan 8.230 nan 0.000 0.483 442 A N 4.265 126.932 122.820 -0.254 0.000 1.999 442 A HA 0.287 4.607 4.320 -0.000 0.000 0.200 442 A C 0.455 177.956 177.584 -0.137 0.000 1.363 442 A CA 0.051 52.014 52.037 -0.123 0.000 0.844 442 A CB 0.037 19.004 19.000 -0.055 0.000 0.954 442 A HN 0.722 nan 8.150 nan 0.000 0.481 443 E N -0.239 119.851 120.200 -0.183 0.000 2.185 443 E HA 0.543 4.893 4.350 -0.000 0.000 0.261 443 E C 0.420 176.885 176.600 -0.225 0.000 0.879 443 E CA -0.032 56.279 56.400 -0.149 0.000 0.756 443 E CB 1.822 31.470 29.700 -0.086 0.000 1.152 443 E HN 0.287 nan 8.360 nan 0.000 0.416 444 A N 3.775 126.470 122.820 -0.208 0.000 1.902 444 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 444 A C 1.481 178.882 177.584 -0.305 0.000 1.181 444 A CA 1.659 53.528 52.037 -0.280 0.000 0.623 444 A CB -1.013 17.863 19.000 -0.206 0.000 0.818 444 A HN 0.950 nan 8.150 nan 0.000 0.443 445 G N -0.663 108.043 108.800 -0.157 0.000 2.611 445 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.301 445 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.301 445 G C 1.008 175.883 174.900 -0.041 0.000 1.233 445 G CA 1.195 46.261 45.100 -0.057 0.000 0.993 445 G HN 1.298 nan 8.290 nan 0.000 0.553 446 W N 1.293 122.592 121.300 -0.002 0.000 2.421 446 W HA 0.015 4.675 4.660 -0.000 0.000 0.270 446 W C 2.048 178.568 176.519 0.002 0.000 1.233 446 W CA 1.128 58.475 57.345 0.002 0.000 1.226 446 W CB -0.691 28.763 29.460 -0.010 0.000 1.121 446 W HN 0.480 nan 8.180 nan 0.000 0.579 447 R N 0.644 120.669 120.500 -0.792 0.000 2.285 447 R HA -0.049 4.291 4.340 -0.000 0.000 0.213 447 R C 2.151 178.280 176.300 -0.286 0.000 1.068 447 R CA 1.576 57.222 56.100 -0.756 0.000 1.004 447 R CB -0.509 29.255 30.300 -0.894 0.000 0.873 447 R HN 0.111 nan 8.270 nan 0.000 0.467 448 T N 1.625 116.076 114.554 -0.171 0.000 2.849 448 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 448 T C 1.705 176.398 174.700 -0.011 0.000 1.066 448 T CA 0.957 63.014 62.100 -0.072 0.000 1.130 448 T CB -0.054 68.795 68.868 -0.032 0.000 0.864 448 T HN 0.224 nan 8.240 nan 0.000 0.481 449 L N 0.141 121.386 121.223 0.037 0.000 2.376 449 L HA 0.158 4.498 4.340 -0.000 0.000 0.219 449 L C 0.824 177.741 176.870 0.078 0.000 1.133 449 L CA 0.311 55.203 54.840 0.086 0.000 0.816 449 L CB -0.570 41.580 42.059 0.151 0.000 0.933 449 L HN 0.236 nan 8.230 nan 0.000 0.449 450 L N -0.767 120.480 121.223 0.040 0.000 2.456 450 L HA 0.367 4.707 4.340 -0.000 0.000 0.257 450 L C 1.114 177.998 176.870 0.022 0.000 1.162 450 L CA -0.540 54.325 54.840 0.041 0.000 0.808 450 L CB 0.167 42.231 42.059 0.009 0.000 1.136 450 L HN -0.070 nan 8.230 nan 0.000 0.466 451 G N -0.335 108.482 108.800 0.028 0.000 2.684 451 G HA2 0.171 4.131 3.960 -0.000 0.000 0.255 451 G HA3 0.171 4.131 3.960 -0.000 0.000 0.255 451 G C 0.900 175.800 174.900 0.000 0.000 1.219 451 G CA 0.083 45.194 45.100 0.019 0.000 0.901 451 G HN 0.778 nan 8.290 nan 0.000 0.548 452 S N -0.290 115.411 115.700 0.001 0.000 2.383 452 S HA -0.141 4.329 4.470 -0.000 0.000 0.227 452 S C 1.983 176.580 174.600 -0.004 0.000 1.026 452 S CA 1.390 59.586 58.200 -0.006 0.000 0.981 452 S CB -0.205 62.996 63.200 0.002 0.000 0.818 452 S HN 0.647 nan 8.310 nan 0.000 0.472 453 K N 1.497 121.898 120.400 0.001 0.000 2.025 453 K HA -0.031 4.289 4.320 -0.000 0.000 0.207 453 K C 2.227 178.826 176.600 -0.001 0.000 1.049 453 K CA 1.292 57.580 56.287 0.002 0.000 0.933 453 K CB -0.178 32.324 32.500 0.003 0.000 0.714 453 K HN 0.382 nan 8.250 nan 0.000 0.438 454 E N 0.226 120.425 120.200 -0.002 0.000 2.118 454 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 454 E C 2.149 178.743 176.600 -0.010 0.000 0.992 454 E CA 0.813 57.216 56.400 0.005 0.000 0.804 454 E CB -0.020 29.691 29.700 0.019 0.000 0.741 454 E HN 0.250 nan 8.360 nan 0.000 0.458 455 R N 0.975 121.452 120.500 -0.038 0.000 2.075 455 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 455 R C 0.733 176.997 176.300 -0.061 0.000 1.126 455 R CA 1.439 57.484 56.100 -0.092 0.000 0.963 455 R CB 0.084 30.323 30.300 -0.101 0.000 0.858 455 R HN 0.067 nan 8.270 nan 0.000 0.435 456 D N 0.345 120.732 120.400 -0.022 0.000 2.339 456 D HA -0.070 4.570 4.640 -0.000 0.000 0.217 456 D C 1.383 177.688 176.300 0.008 0.000 1.050 456 D CA 0.311 54.313 54.000 0.003 0.000 0.856 456 D CB 0.155 40.967 40.800 0.020 0.000 0.922 456 D HN 0.559 nan 8.370 nan 0.000 0.518 457 E N 0.952 121.158 120.200 0.010 0.000 2.331 457 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 457 E C 1.331 177.925 176.600 -0.010 0.000 1.008 457 E CA 0.972 57.373 56.400 0.002 0.000 0.843 457 E CB -0.005 29.701 29.700 0.010 0.000 0.761 457 E HN 0.190 nan 8.360 nan 0.000 0.507 458 E N 0.255 120.465 120.200 0.017 0.000 2.481 458 E HA 0.067 4.417 4.350 -0.000 0.000 0.198 458 E C -0.355 176.204 176.600 -0.067 0.000 1.027 458 E CA -0.344 56.042 56.400 -0.023 0.000 0.900 458 E CB 0.378 30.092 29.700 0.022 0.000 0.993 458 E HN 0.135 nan 8.360 nan 0.000 0.482 459 N N 1.583 120.230 118.700 -0.087 0.000 2.492 459 N HA 0.072 4.812 4.740 -0.000 0.000 0.260 459 N C -0.930 174.330 175.510 -0.416 0.000 1.215 459 N CA 0.502 53.333 53.050 -0.365 0.000 0.923 459 N CB 1.008 39.211 38.487 -0.474 0.000 1.092 459 N HN 0.100 nan 8.380 nan 0.000 0.448 460 D N -0.267 119.788 120.400 -0.574 0.000 2.890 460 D HA 0.580 5.220 4.640 -0.000 0.000 0.233 460 D C 0.119 176.279 176.300 -0.233 0.000 1.306 460 D CA -0.073 53.746 54.000 -0.302 0.000 0.929 460 D CB 0.749 41.438 40.800 -0.186 0.000 1.512 460 D HN 0.651 nan 8.370 nan 0.000 0.568 461 G N 2.009 110.773 108.800 -0.060 0.000 2.627 461 G HA2 0.059 4.019 3.960 -0.000 0.000 0.214 461 G HA3 0.059 4.019 3.960 -0.000 0.000 0.214 461 G C -0.640 174.435 174.900 0.292 0.000 1.331 461 G CA -0.297 44.866 45.100 0.106 0.000 0.891 461 G HN 0.889 nan 8.290 nan 0.000 0.539 462 T N 0.414 115.147 114.554 0.298 0.000 2.824 462 T HA 0.672 5.022 4.350 -0.000 0.000 0.282 462 T C -2.609 172.208 174.700 0.196 0.000 0.993 462 T CA -1.147 61.125 62.100 0.287 0.000 0.967 462 T CB 1.978 70.953 68.868 0.178 0.000 0.960 462 T HN 0.572 nan 8.240 nan 0.000 0.441 463 P HA 0.093 nan 4.420 nan 0.000 0.264 463 P C -0.832 176.444 177.300 -0.040 0.000 1.173 463 P CA 0.062 63.078 63.100 -0.139 0.000 0.761 463 P CB 0.360 31.874 31.700 -0.310 0.000 0.794 464 L N 4.874 126.066 121.223 -0.051 0.000 2.334 464 L HA 0.491 4.831 4.340 -0.000 0.000 0.276 464 L C -1.667 175.165 176.870 -0.064 0.000 1.014 464 L CA -2.159 52.615 54.840 -0.111 0.000 0.815 464 L CB 1.537 43.491 42.059 -0.174 0.000 1.268 464 L HN 0.328 nan 8.230 nan 0.000 0.428 465 P HA 0.089 nan 4.420 nan 0.000 0.273 465 P C -0.809 176.477 177.300 -0.023 0.000 1.250 465 P CA -0.353 62.734 63.100 -0.022 0.000 0.793 465 P CB 0.910 32.632 31.700 0.036 0.000 1.011 466 V N 1.690 121.556 119.914 -0.080 0.000 2.385 466 V HA 0.264 4.384 4.120 -0.000 0.000 0.269 466 V C 0.829 176.689 176.094 -0.389 0.000 1.043 466 V CA -0.247 61.887 62.300 -0.277 0.000 0.906 466 V CB 0.793 32.505 31.823 -0.184 0.000 0.995 466 V HN 0.496 nan 8.190 nan 0.000 0.467 467 V N 2.542 122.035 119.914 -0.702 0.000 3.164 467 V HA 1.091 5.211 4.120 -0.000 0.000 0.313 467 V C -0.138 175.649 176.094 -0.512 0.000 1.188 467 V CA -0.814 61.240 62.300 -0.409 0.000 1.058 467 V CB 2.013 33.763 31.823 -0.123 0.000 1.110 467 V HN 0.963 nan 8.190 nan 0.000 0.453 468 A N 0.548 123.248 122.820 -0.200 0.000 2.413 468 A HA 0.730 5.049 4.320 -0.000 0.000 0.307 468 A C -0.293 177.295 177.584 0.007 0.000 1.087 468 A CA -0.937 51.041 52.037 -0.098 0.000 0.750 468 A CB 1.423 20.379 19.000 -0.074 0.000 1.296 468 A HN 1.097 nan 8.150 nan 0.000 0.423 469 K N 0.376 120.807 120.400 0.052 0.000 2.466 469 K HA 0.310 4.630 4.320 -0.000 0.000 0.278 469 K C 1.137 177.761 176.600 0.040 0.000 1.048 469 K CA 1.705 58.029 56.287 0.063 0.000 1.088 469 K CB -0.226 32.314 32.500 0.067 0.000 0.884 469 K HN 1.854 nan 8.250 nan 0.000 0.478 470 G N 3.067 111.893 108.800 0.044 0.000 2.195 470 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.224 470 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.224 470 G C -0.410 174.506 174.900 0.026 0.000 0.990 470 G CA -0.013 45.106 45.100 0.032 0.000 0.639 470 G HN 0.707 nan 8.290 nan 0.000 0.514 471 D N 1.085 121.501 120.400 0.027 0.000 2.424 471 D HA 0.418 5.058 4.640 -0.000 0.000 0.244 471 D C 0.546 176.862 176.300 0.026 0.000 1.134 471 D CA 0.273 54.285 54.000 0.020 0.000 0.881 471 D CB 1.023 41.833 40.800 0.017 0.000 1.191 471 D HN 0.539 nan 8.370 nan 0.000 0.445 472 E N 2.817 123.026 120.200 0.015 0.000 2.081 472 E HA 0.268 4.618 4.350 -0.000 0.000 0.281 472 E C -0.973 175.630 176.600 0.005 0.000 0.986 472 E CA -0.669 55.736 56.400 0.008 0.000 0.796 472 E CB 0.324 30.024 29.700 -0.000 0.000 1.085 472 E HN 0.147 nan 8.360 nan 0.000 0.398 473 L N 3.719 124.945 121.223 0.004 0.000 2.347 473 L HA 0.551 4.891 4.340 -0.000 0.000 0.268 473 L C -0.632 176.210 176.870 -0.046 0.000 1.019 473 L CA -0.950 53.884 54.840 -0.010 0.000 0.806 473 L CB 1.073 43.139 42.059 0.011 0.000 1.339 473 L HN 0.642 nan 8.230 nan 0.000 0.463 474 L N 0.242 121.422 121.223 -0.072 0.000 2.362 474 L HA 0.496 4.836 4.340 -0.000 0.000 0.275 474 L C -0.841 175.951 176.870 -0.130 0.000 0.998 474 L CA -0.271 54.516 54.840 -0.089 0.000 0.820 474 L CB 1.602 43.619 42.059 -0.069 0.000 1.270 474 L HN 0.653 nan 8.230 nan 0.000 0.415 475 C N 4.843 124.057 119.300 -0.144 0.000 2.192 475 C HA 0.310 4.770 4.460 -0.000 0.000 0.337 475 C C 1.424 176.343 174.990 -0.118 0.000 1.103 475 C CA -0.312 58.606 59.018 -0.168 0.000 1.581 475 C CB -0.982 26.620 27.740 -0.231 0.000 2.070 475 C HN 1.060 nan 8.230 nan 0.000 0.485 476 E N 2.327 122.472 120.200 -0.091 0.000 2.110 476 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 476 E C 0.465 177.028 176.600 -0.061 0.000 0.988 476 E CA 0.940 57.299 56.400 -0.069 0.000 0.804 476 E CB 0.217 29.880 29.700 -0.061 0.000 0.745 476 E HN 0.699 nan 8.360 nan 0.000 0.458 477 K N -0.542 119.838 120.400 -0.033 0.000 2.569 477 K HA 0.310 4.630 4.320 -0.000 0.000 0.259 477 K C -1.195 175.445 176.600 0.066 0.000 0.932 477 K CA -0.306 55.977 56.287 -0.008 0.000 0.833 477 K CB 1.821 34.289 32.500 -0.053 0.000 1.340 477 K HN 0.083 nan 8.250 nan 0.000 0.429 478 G N 1.794 110.604 108.800 0.017 0.000 2.437 478 G HA2 0.440 4.400 3.960 -0.000 0.000 0.319 478 G HA3 0.440 4.400 3.960 -0.000 0.000 0.319 478 G C -1.252 173.702 174.900 0.091 0.000 1.158 478 G CA -0.192 44.927 45.100 0.031 0.000 0.899 478 G HN 0.572 nan 8.290 nan 0.000 0.502 479 E N 0.198 120.463 120.200 0.109 0.000 2.308 479 E HA 0.376 4.726 4.350 -0.000 0.000 0.275 479 E C -1.341 175.315 176.600 0.093 0.000 0.890 479 E CA -0.673 55.797 56.400 0.116 0.000 0.754 479 E CB 2.563 32.394 29.700 0.218 0.000 1.207 479 E HN 0.232 nan 8.360 nan 0.000 0.426 480 V N 4.424 124.379 119.914 0.069 0.000 2.389 480 V HA 0.152 4.272 4.120 -0.000 0.000 0.264 480 V C -0.111 176.046 176.094 0.105 0.000 1.049 480 V CA -0.402 61.945 62.300 0.078 0.000 0.932 480 V CB 1.058 32.892 31.823 0.019 0.000 1.011 480 V HN 0.451 nan 8.190 nan 0.000 0.475 481 V N 5.376 125.365 119.914 0.125 0.000 2.364 481 V HA 0.285 4.405 4.120 -0.000 0.000 0.272 481 V C 0.279 176.413 176.094 0.066 0.000 1.036 481 V CA -0.430 61.919 62.300 0.082 0.000 0.880 481 V CB 1.390 33.247 31.823 0.057 0.000 0.991 481 V HN 0.914 nan 8.190 nan 0.000 0.460 482 E N 5.614 125.835 120.200 0.036 0.000 2.174 482 E HA 0.533 4.883 4.350 -0.000 0.000 0.282 482 E C -0.524 175.929 176.600 -0.245 0.000 0.992 482 E CA -0.586 55.799 56.400 -0.026 0.000 0.803 482 E CB 0.754 30.508 29.700 0.089 0.000 1.090 482 E HN 0.573 nan 8.360 nan 0.000 0.396 483 R N 3.346 123.515 120.500 -0.553 0.000 2.771 483 R HA 0.343 4.683 4.340 -0.000 0.000 0.274 483 R C -1.103 174.911 176.300 -0.476 0.000 0.987 483 R CA -1.052 54.684 56.100 -0.608 0.000 0.908 483 R CB 1.886 31.555 30.300 -1.052 0.000 1.213 483 R HN 0.488 nan 8.270 nan 0.000 0.468 484 Q N 0.491 120.213 119.800 -0.130 0.000 2.342 484 Q HA 0.291 4.631 4.340 -0.000 0.000 0.267 484 Q C -0.549 175.605 176.000 0.255 0.000 1.038 484 Q CA -0.616 55.228 55.803 0.068 0.000 0.832 484 Q CB 2.117 30.880 28.738 0.042 0.000 1.323 484 Q HN 0.657 nan 8.270 nan 0.000 0.448 485 T N 0.046 114.787 114.554 0.312 0.000 2.930 485 T HA 0.234 4.584 4.350 -0.000 0.000 0.306 485 T C -0.075 174.808 174.700 0.306 0.000 1.045 485 T CA -0.798 61.488 62.100 0.310 0.000 1.134 485 T CB 0.528 69.570 68.868 0.289 0.000 0.961 485 T HN 0.274 nan 8.240 nan 0.000 0.545 486 Q N 2.302 122.172 119.800 0.118 0.000 2.266 486 Q HA 0.464 4.804 4.340 -0.000 0.000 0.261 486 Q C -2.338 173.252 176.000 -0.683 0.000 0.985 486 Q CA -2.320 53.395 55.803 -0.146 0.000 0.873 486 Q CB 1.660 30.331 28.738 -0.111 0.000 1.306 486 Q HN 0.595 nan 8.270 nan 0.000 0.447 487 P HA 0.283 nan 4.420 nan 0.000 0.276 487 P C -2.400 174.518 177.300 -0.637 0.000 1.244 487 P CA -1.222 61.114 63.100 -1.274 0.000 0.801 487 P CB -0.058 31.110 31.700 -0.886 0.000 1.006 488 P HA 0.169 nan 4.420 nan 0.000 0.272 488 P C 0.026 177.091 177.300 -0.392 0.000 1.230 488 P CA -0.160 62.720 63.100 -0.367 0.000 0.788 488 P CB 0.587 32.098 31.700 -0.315 0.000 0.949 489 R N 0.792 121.107 120.500 -0.308 0.000 2.679 489 R HA 0.197 4.537 4.340 -0.000 0.000 0.269 489 R C 0.550 176.626 176.300 -0.374 0.000 1.076 489 R CA -0.300 55.625 56.100 -0.291 0.000 1.160 489 R CB -0.371 29.892 30.300 -0.063 0.000 1.054 489 R HN 0.628 nan 8.270 nan 0.000 0.507 490 H N 0.088 118.972 119.070 -0.310 0.000 2.836 490 H HA 0.024 4.580 4.556 -0.000 0.000 0.368 490 H C 0.111 175.426 175.328 -0.022 0.000 1.164 490 H CA 0.285 56.186 56.048 -0.244 0.000 1.425 490 H CB 0.292 29.833 29.762 -0.369 0.000 1.414 490 H HN 0.335 nan 8.280 nan 0.000 0.614 491 F N 0.651 120.701 119.950 0.166 0.000 2.545 491 F HA 0.053 4.580 4.527 -0.000 0.000 0.348 491 F C 1.268 177.175 175.800 0.179 0.000 1.163 491 F CA 0.418 58.497 58.000 0.131 0.000 1.331 491 F CB 0.625 39.657 39.000 0.054 0.000 1.138 491 F HN 0.548 nan 8.300 nan 0.000 0.602 492 T N -2.278 112.481 114.554 0.342 0.000 2.883 492 T HA 0.241 4.591 4.350 -0.000 0.000 0.284 492 T C 0.626 175.402 174.700 0.126 0.000 1.041 492 T CA -0.898 61.287 62.100 0.142 0.000 1.007 492 T CB 1.371 70.233 68.868 -0.010 0.000 1.220 492 T HN 0.457 nan 8.240 nan 0.000 0.552 493 D N 0.489 120.920 120.400 0.052 0.000 2.116 493 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 493 D C 2.269 178.579 176.300 0.017 0.000 0.998 493 D CA 1.888 55.901 54.000 0.022 0.000 0.836 493 D CB -0.540 40.250 40.800 -0.016 0.000 0.951 493 D HN 0.707 nan 8.370 nan 0.000 0.449 494 A N 0.762 123.594 122.820 0.019 0.000 1.855 494 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 494 A C 2.426 180.052 177.584 0.070 0.000 1.191 494 A CA 2.888 54.938 52.037 0.022 0.000 0.613 494 A CB -1.054 17.950 19.000 0.006 0.000 0.829 494 A HN 0.394 nan 8.150 nan 0.000 0.442 495 T N -2.255 112.384 114.554 0.143 0.000 2.951 495 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 495 T C 1.749 176.626 174.700 0.296 0.000 1.073 495 T CA 1.318 63.572 62.100 0.256 0.000 1.134 495 T CB -0.370 68.684 68.868 0.309 0.000 0.884 495 T HN 0.155 nan 8.240 nan 0.000 0.479 496 L N 0.549 121.861 121.223 0.149 0.000 1.994 496 L HA 0.197 4.537 4.340 -0.000 0.000 0.208 496 L C 2.325 179.085 176.870 -0.184 0.000 1.071 496 L CA 1.433 56.112 54.840 -0.267 0.000 0.745 496 L CB -1.106 40.789 42.059 -0.274 0.000 0.892 496 L HN 0.273 nan 8.230 nan 0.000 0.431 497 L N -1.083 120.097 121.223 -0.071 0.000 2.046 497 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 497 L C 2.705 179.558 176.870 -0.029 0.000 1.077 497 L CA 2.070 56.874 54.840 -0.059 0.000 0.747 497 L CB -0.985 41.049 42.059 -0.042 0.000 0.896 497 L HN 0.416 nan 8.230 nan 0.000 0.432 498 S N -1.112 114.600 115.700 0.020 0.000 2.383 498 S HA -0.187 4.283 4.470 -0.000 0.000 0.229 498 S C 2.064 176.725 174.600 0.102 0.000 1.030 498 S CA 1.171 59.410 58.200 0.065 0.000 1.002 498 S CB -0.346 62.914 63.200 0.101 0.000 0.829 498 S HN 0.635 nan 8.310 nan 0.000 0.467 499 A N 0.533 123.402 122.820 0.082 0.000 2.014 499 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 499 A C 2.105 179.634 177.584 -0.092 0.000 1.163 499 A CA 1.126 53.196 52.037 0.054 0.000 0.652 499 A CB -0.424 18.447 19.000 -0.216 0.000 0.808 499 A HN 0.610 nan 8.150 nan 0.000 0.449 500 M N -0.369 119.161 119.600 -0.118 0.000 2.193 500 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 500 M C 2.401 178.678 176.300 -0.038 0.000 1.071 500 M CA 1.858 57.092 55.300 -0.109 0.000 1.140 500 M CB -0.481 32.049 32.600 -0.117 0.000 1.369 500 M HN 0.605 nan 8.290 nan 0.000 0.423 501 T N -2.285 112.263 114.554 -0.010 0.000 2.857 501 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 501 T C 1.647 176.371 174.700 0.039 0.000 1.048 501 T CA 1.238 63.344 62.100 0.010 0.000 1.139 501 T CB -0.838 68.037 68.868 0.012 0.000 0.874 501 T HN 0.474 nan 8.240 nan 0.000 0.455 502 G N 0.420 109.265 108.800 0.076 0.000 3.518 502 G HA2 0.325 4.285 3.960 -0.000 0.000 0.273 502 G HA3 0.325 4.285 3.960 -0.000 0.000 0.273 502 G C 0.952 175.969 174.900 0.196 0.000 1.199 502 G CA -0.357 44.812 45.100 0.116 0.000 0.899 502 G HN 0.398 nan 8.290 nan 0.000 0.533 503 I N 1.527 122.190 120.570 0.155 0.000 2.381 503 I HA -0.242 3.928 4.170 -0.000 0.000 0.255 503 I C 2.748 179.002 176.117 0.229 0.000 1.140 503 I CA 1.179 62.597 61.300 0.197 0.000 1.404 503 I CB 0.081 38.103 38.000 0.037 0.000 1.075 503 I HN 0.245 nan 8.210 nan 0.000 0.433 504 A N 0.061 122.956 122.820 0.124 0.000 1.986 504 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 504 A C 2.418 180.032 177.584 0.050 0.000 1.171 504 A CA 1.739 53.817 52.037 0.068 0.000 0.640 504 A CB -0.669 18.350 19.000 0.031 0.000 0.811 504 A HN 0.480 nan 8.150 nan 0.000 0.451 505 R N -1.877 118.646 120.500 0.039 0.000 2.152 505 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 505 R C 0.744 176.863 176.300 -0.301 0.000 1.117 505 R CA 1.443 57.438 56.100 -0.174 0.000 0.981 505 R CB -0.294 29.804 30.300 -0.337 0.000 0.870 505 R HN 0.622 nan 8.270 nan 0.000 0.451 506 F N -0.622 119.332 119.950 0.007 0.000 2.695 506 F HA 0.160 4.687 4.527 -0.000 0.000 0.303 506 F C 0.288 176.089 175.800 0.002 0.000 1.091 506 F CA -0.225 57.783 58.000 0.013 0.000 1.300 506 F CB 0.658 39.675 39.000 0.028 0.000 1.071 506 F HN -0.310 nan 8.300 nan 0.000 0.578 507 V N 0.429 120.413 119.914 0.117 0.000 2.483 507 V HA 0.205 4.325 4.120 -0.000 0.000 0.295 507 V C 0.571 176.674 176.094 0.015 0.000 1.035 507 V CA -0.572 61.761 62.300 0.056 0.000 0.896 507 V CB 1.813 33.654 31.823 0.030 0.000 0.986 507 V HN 0.146 nan 8.190 nan 0.000 0.447 508 Q N 0.759 120.565 119.800 0.010 0.000 2.204 508 Q HA 0.027 4.367 4.340 -0.000 0.000 0.198 508 Q C 0.756 176.751 176.000 -0.007 0.000 0.946 508 Q CA 0.365 56.166 55.803 -0.004 0.000 0.859 508 Q CB 0.272 29.009 28.738 -0.000 0.000 0.946 508 Q HN 0.792 nan 8.270 nan 0.000 0.474 509 D N 1.511 121.909 120.400 -0.004 0.000 2.434 509 D HA -0.072 4.568 4.640 -0.000 0.000 0.252 509 D C 0.559 176.852 176.300 -0.013 0.000 1.185 509 D CA 0.443 54.439 54.000 -0.006 0.000 0.886 509 D CB 0.898 41.695 40.800 -0.006 0.000 1.148 509 D HN 0.042 nan 8.370 nan 0.000 0.483 510 K N 3.151 123.545 120.400 -0.010 0.000 2.097 510 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 510 K C 0.855 177.449 176.600 -0.011 0.000 1.049 510 K CA 1.029 57.309 56.287 -0.012 0.000 0.933 510 K CB 0.292 32.786 32.500 -0.010 0.000 0.717 510 K HN 0.420 nan 8.250 nan 0.000 0.442 511 D N 0.803 121.198 120.400 -0.008 0.000 2.117 511 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 511 D C 1.934 178.221 176.300 -0.021 0.000 0.982 511 D CA 0.912 54.909 54.000 -0.006 0.000 0.828 511 D CB -0.083 40.721 40.800 0.007 0.000 0.967 511 D HN 0.228 nan 8.370 nan 0.000 0.464 512 L N 0.441 121.638 121.223 -0.043 0.000 2.093 512 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 512 L C 2.346 179.189 176.870 -0.044 0.000 1.085 512 L CA 0.869 55.663 54.840 -0.077 0.000 0.755 512 L CB -0.328 41.653 42.059 -0.130 0.000 0.904 512 L HN -0.052 nan 8.230 nan 0.000 0.435 513 K N 0.657 121.041 120.400 -0.027 0.000 2.020 513 K HA -0.263 4.057 4.320 -0.000 0.000 0.212 513 K C 2.229 178.824 176.600 -0.009 0.000 1.050 513 K CA 1.812 58.091 56.287 -0.013 0.000 0.929 513 K CB -0.106 32.386 32.500 -0.013 0.000 0.714 513 K HN 0.107 nan 8.250 nan 0.000 0.443 514 K N 0.801 121.195 120.400 -0.009 0.000 2.026 514 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 514 K C 1.996 178.596 176.600 -0.000 0.000 1.048 514 K CA 1.430 57.715 56.287 -0.004 0.000 0.929 514 K CB -0.078 32.420 32.500 -0.003 0.000 0.713 514 K HN 0.058 nan 8.250 nan 0.000 0.439 515 I N 0.919 121.487 120.570 -0.003 0.000 2.226 515 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 515 I C 2.062 178.181 176.117 0.004 0.000 1.100 515 I CA 1.129 62.431 61.300 0.003 0.000 1.374 515 I CB -0.176 37.825 38.000 0.001 0.000 1.057 515 I HN 0.164 nan 8.210 nan 0.000 0.413 516 L N -0.072 121.149 121.223 -0.003 0.000 2.056 516 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 516 L C 2.731 179.608 176.870 0.011 0.000 1.078 516 L CA 1.336 56.177 54.840 0.001 0.000 0.749 516 L CB -0.487 41.572 42.059 -0.001 0.000 0.901 516 L HN 0.127 nan 8.230 nan 0.000 0.433 517 R N -0.263 120.244 120.500 0.011 0.000 2.092 517 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 517 R C 2.283 178.593 176.300 0.017 0.000 1.119 517 R CA 1.315 57.424 56.100 0.015 0.000 0.970 517 R CB -0.337 29.970 30.300 0.011 0.000 0.864 517 R HN 0.336 nan 8.270 nan 0.000 0.440 518 A N 0.001 122.829 122.820 0.014 0.000 2.119 518 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 518 A C 1.507 179.103 177.584 0.020 0.000 1.152 518 A CA 1.397 53.443 52.037 0.016 0.000 0.708 518 A CB -0.054 18.953 19.000 0.012 0.000 0.805 518 A HN 0.420 nan 8.150 nan 0.000 0.460 519 T N -4.808 109.759 114.554 0.022 0.000 3.252 519 T HA 0.364 4.714 4.350 -0.000 0.000 0.286 519 T C 0.021 174.736 174.700 0.025 0.000 1.013 519 T CA 0.563 62.679 62.100 0.026 0.000 0.914 519 T CB -0.041 68.845 68.868 0.030 0.000 1.131 519 T HN 0.298 nan 8.240 nan 0.000 0.529 520 D N 0.338 120.752 120.400 0.024 0.000 2.947 520 D HA -0.067 4.573 4.640 -0.000 0.000 0.224 520 D C 1.008 177.316 176.300 0.013 0.000 1.132 520 D CA 1.724 55.737 54.000 0.022 0.000 0.801 520 D CB -1.321 39.496 40.800 0.027 0.000 1.097 520 D HN 1.113 nan 8.370 nan 0.000 0.431 521 G N -1.117 107.690 108.800 0.010 0.000 2.547 521 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.271 521 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.271 521 G C -0.103 174.787 174.900 -0.018 0.000 1.209 521 G CA -0.119 44.982 45.100 0.001 0.000 0.959 521 G HN 0.642 nan 8.290 nan 0.000 0.563 522 L N 2.183 123.385 121.223 -0.035 0.000 2.265 522 L HA 0.551 4.891 4.340 -0.000 0.000 0.288 522 L C 1.328 178.171 176.870 -0.045 0.000 1.058 522 L CA 0.787 55.593 54.840 -0.056 0.000 0.809 522 L CB 0.269 42.279 42.059 -0.083 0.000 1.179 522 L HN 2.261 nan 8.230 nan 0.000 0.429 523 G N 2.821 111.599 108.800 -0.036 0.000 2.693 523 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.226 523 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.226 523 G C -0.293 174.605 174.900 -0.003 0.000 1.354 523 G CA -0.215 44.874 45.100 -0.018 0.000 0.873 523 G HN 0.865 nan 8.290 nan 0.000 0.562 524 T N -3.866 110.690 114.554 0.003 0.000 2.804 524 T HA 0.724 5.074 4.350 -0.000 0.000 0.290 524 T C 0.938 175.635 174.700 -0.004 0.000 1.099 524 T CA 0.486 62.592 62.100 0.011 0.000 1.011 524 T CB 1.944 70.831 68.868 0.031 0.000 1.291 524 T HN 0.568 nan 8.240 nan 0.000 0.523 525 E N 0.343 120.539 120.200 -0.007 0.000 2.153 525 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 525 E C 2.220 178.791 176.600 -0.048 0.000 0.988 525 E CA 1.448 57.825 56.400 -0.037 0.000 0.811 525 E CB -0.686 28.982 29.700 -0.053 0.000 0.746 525 E HN 0.777 nan 8.360 nan 0.000 0.466 526 A N 1.056 123.862 122.820 -0.023 0.000 2.067 526 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 526 A C 2.265 179.846 177.584 -0.006 0.000 1.156 526 A CA 1.805 53.831 52.037 -0.018 0.000 0.683 526 A CB -0.325 18.685 19.000 0.017 0.000 0.808 526 A HN 0.366 nan 8.150 nan 0.000 0.455 527 T N -4.329 110.225 114.554 -0.000 0.000 2.999 527 T HA 0.130 4.480 4.350 -0.000 0.000 0.247 527 T C 1.863 176.560 174.700 -0.005 0.000 1.012 527 T CA 0.259 62.362 62.100 0.005 0.000 1.048 527 T CB -0.204 68.675 68.868 0.018 0.000 1.020 527 T HN 0.363 nan 8.240 nan 0.000 0.478 528 R N 1.409 121.899 120.500 -0.016 0.000 2.103 528 R HA 0.031 4.371 4.340 -0.000 0.000 0.242 528 R C 2.845 179.132 176.300 -0.023 0.000 1.142 528 R CA 1.603 57.688 56.100 -0.024 0.000 0.960 528 R CB -0.715 29.564 30.300 -0.035 0.000 0.858 528 R HN 0.532 nan 8.270 nan 0.000 0.439 529 A N 0.625 123.427 122.820 -0.030 0.000 1.902 529 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 529 A C 2.408 179.982 177.584 -0.017 0.000 1.181 529 A CA 1.770 53.788 52.037 -0.032 0.000 0.623 529 A CB -1.108 17.864 19.000 -0.046 0.000 0.818 529 A HN 0.482 nan 8.150 nan 0.000 0.443 530 G N -0.224 108.570 108.800 -0.010 0.000 2.432 530 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 530 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 530 G C 1.412 176.324 174.900 0.020 0.000 1.135 530 G CA 1.067 46.169 45.100 0.003 0.000 0.767 530 G HN 0.388 nan 8.290 nan 0.000 0.550 531 I N 0.724 121.305 120.570 0.019 0.000 2.286 531 I HA -0.054 4.115 4.170 -0.000 0.000 0.245 531 I C 2.778 178.926 176.117 0.052 0.000 1.104 531 I CA 0.835 62.152 61.300 0.029 0.000 1.397 531 I CB -0.696 37.312 38.000 0.012 0.000 1.072 531 I HN 0.185 nan 8.210 nan 0.000 0.417 532 I N 0.731 121.333 120.570 0.052 0.000 2.127 532 I HA -0.290 3.880 4.170 -0.000 0.000 0.241 532 I C 2.571 178.814 176.117 0.210 0.000 1.075 532 I CA 1.371 62.739 61.300 0.115 0.000 1.334 532 I CB -0.413 37.633 38.000 0.077 0.000 1.040 532 I HN 0.221 nan 8.210 nan 0.000 0.405 533 E N 0.499 120.764 120.200 0.109 0.000 2.085 533 E HA -0.250 4.099 4.350 -0.000 0.000 0.194 533 E C 2.141 178.818 176.600 0.129 0.000 0.994 533 E CA 1.132 57.591 56.400 0.099 0.000 0.801 533 E CB -0.537 29.165 29.700 0.003 0.000 0.743 533 E HN 0.333 nan 8.360 nan 0.000 0.453 534 L N 1.049 122.320 121.223 0.079 0.000 2.079 534 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 534 L C 2.242 179.129 176.870 0.028 0.000 1.081 534 L CA 1.427 56.294 54.840 0.044 0.000 0.752 534 L CB -0.522 41.559 42.059 0.035 0.000 0.896 534 L HN 0.074 nan 8.230 nan 0.000 0.433 535 L N -2.158 119.114 121.223 0.081 0.000 2.093 535 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 535 L C 2.351 179.197 176.870 -0.041 0.000 1.085 535 L CA 0.996 55.859 54.840 0.038 0.000 0.755 535 L CB -0.517 41.582 42.059 0.067 0.000 0.904 535 L HN 0.196 nan 8.230 nan 0.000 0.435 536 F N 0.248 120.183 119.950 -0.025 0.000 2.113 536 F HA -0.188 4.339 4.527 -0.000 0.000 0.297 536 F C 2.666 178.428 175.800 -0.064 0.000 1.103 536 F CA 1.350 59.336 58.000 -0.023 0.000 1.248 536 F CB -0.393 38.601 39.000 -0.011 0.000 0.999 536 F HN -0.074 nan 8.300 nan 0.000 0.475 537 K N 0.336 120.802 120.400 0.110 0.000 2.063 537 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 537 K C 2.096 178.638 176.600 -0.098 0.000 1.048 537 K CA 1.179 57.472 56.287 0.010 0.000 0.928 537 K CB -0.046 32.453 32.500 -0.001 0.000 0.713 537 K HN 0.097 nan 8.250 nan 0.000 0.442 538 R N -0.742 119.612 120.500 -0.242 0.000 2.280 538 R HA -0.040 4.300 4.340 -0.000 0.000 0.207 538 R C 1.180 177.192 176.300 -0.480 0.000 1.043 538 R CA 0.937 56.727 56.100 -0.518 0.000 1.006 538 R CB -0.174 29.451 30.300 -1.124 0.000 0.885 538 R HN 0.567 nan 8.270 nan 0.000 0.467 539 G N 0.385 109.043 108.800 -0.237 0.000 2.143 539 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 539 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 539 G C 0.660 175.607 174.900 0.078 0.000 0.991 539 G CA 0.202 45.271 45.100 -0.051 0.000 0.689 539 G HN 0.444 nan 8.290 nan 0.000 0.522 540 F N -0.429 119.493 119.950 -0.047 0.000 2.416 540 F HA 0.384 4.911 4.527 -0.000 0.000 0.296 540 F C 1.558 177.247 175.800 -0.186 0.000 1.099 540 F CA 0.088 58.037 58.000 -0.084 0.000 1.427 540 F CB 0.163 39.123 39.000 -0.067 0.000 1.079 540 F HN 0.085 nan 8.300 nan 0.000 0.536 541 L N -0.774 120.325 121.223 -0.206 0.000 2.301 541 L HA 0.599 4.939 4.340 -0.000 0.000 0.264 541 L C -0.169 176.342 176.870 -0.597 0.000 1.016 541 L CA -0.538 53.989 54.840 -0.522 0.000 0.821 541 L CB 2.191 43.643 42.059 -1.011 0.000 1.346 541 L HN -0.308 nan 8.230 nan 0.000 0.429 542 T N 0.001 114.337 114.554 -0.364 0.000 2.816 542 T HA 0.422 4.772 4.350 -0.000 0.000 0.299 542 T C -1.557 173.275 174.700 0.220 0.000 1.230 542 T CA -0.653 61.438 62.100 -0.016 0.000 1.007 542 T CB 1.968 70.845 68.868 0.015 0.000 1.289 542 T HN 0.482 nan 8.240 nan 0.000 0.508 543 K N 1.859 122.443 120.400 0.306 0.000 2.345 543 K HA 0.524 4.844 4.320 -0.000 0.000 0.255 543 K C -1.174 175.498 176.600 0.120 0.000 0.934 543 K CA -0.837 55.613 56.287 0.272 0.000 0.801 543 K CB 1.474 34.134 32.500 0.267 0.000 1.137 543 K HN 0.562 nan 8.250 nan 0.000 0.424 544 K N 1.600 122.065 120.400 0.108 0.000 2.450 544 K HA 0.557 4.877 4.320 -0.000 0.000 0.257 544 K C 0.418 177.117 176.600 0.165 0.000 0.953 544 K CA -0.407 55.915 56.287 0.059 0.000 0.844 544 K CB 1.577 34.024 32.500 -0.089 0.000 1.103 544 K HN 0.630 nan 8.250 nan 0.000 0.429 545 G N 3.868 112.735 108.800 0.112 0.000 2.591 545 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.298 545 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.298 545 G C 0.636 175.568 174.900 0.053 0.000 1.195 545 G CA 0.544 45.702 45.100 0.097 0.000 0.989 545 G HN 0.943 nan 8.290 nan 0.000 0.551 546 R N 0.006 120.480 120.500 -0.044 0.000 2.317 546 R HA 0.337 4.677 4.340 -0.000 0.000 0.208 546 R C 0.238 176.399 176.300 -0.232 0.000 0.914 546 R CA 0.132 56.117 56.100 -0.191 0.000 1.060 546 R CB 0.005 30.109 30.300 -0.326 0.000 1.015 546 R HN 0.481 nan 8.270 nan 0.000 0.498 547 Y N 0.985 121.367 120.300 0.136 0.000 2.334 547 Y HA 0.410 4.960 4.550 -0.000 0.000 0.328 547 Y C 0.276 176.308 175.900 0.219 0.000 1.130 547 Y CA -1.066 57.126 58.100 0.153 0.000 1.163 547 Y CB 1.410 39.957 38.460 0.146 0.000 1.207 547 Y HN -0.127 nan 8.280 nan 0.000 0.471 548 I N 3.979 124.748 120.570 0.331 0.000 2.336 548 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 548 I C -0.317 175.863 176.117 0.105 0.000 0.991 548 I CA -0.348 61.127 61.300 0.291 0.000 1.227 548 I CB 0.630 38.798 38.000 0.279 0.000 1.366 548 I HN 0.575 nan 8.210 nan 0.000 0.466 549 H N 3.520 122.589 119.070 -0.002 0.000 2.622 549 H HA 0.350 4.906 4.556 -0.000 0.000 0.363 549 H C -0.369 174.912 175.328 -0.079 0.000 1.151 549 H CA -0.910 55.099 56.048 -0.064 0.000 1.184 549 H CB 2.217 31.896 29.762 -0.138 0.000 1.643 549 H HN 0.574 nan 8.280 nan 0.000 0.531 550 S N 1.396 117.124 115.700 0.047 0.000 2.580 550 S HA 0.154 4.624 4.470 -0.000 0.000 0.274 550 S C 0.712 175.325 174.600 0.021 0.000 1.329 550 S CA -0.762 57.431 58.200 -0.011 0.000 1.036 550 S CB 1.034 64.198 63.200 -0.060 0.000 0.919 550 S HN 0.698 nan 8.310 nan 0.000 0.515 551 T N -0.278 114.287 114.554 0.020 0.000 2.862 551 T HA 0.341 4.691 4.350 -0.000 0.000 0.276 551 T C 0.401 175.130 174.700 0.048 0.000 0.974 551 T CA -0.574 61.552 62.100 0.044 0.000 0.966 551 T CB 0.292 69.204 68.868 0.074 0.000 1.072 551 T HN 0.472 nan 8.240 nan 0.000 0.538 552 D N 0.677 121.113 120.400 0.059 0.000 2.123 552 D HA -0.069 4.571 4.640 -0.000 0.000 0.196 552 D C 2.297 178.630 176.300 0.054 0.000 0.992 552 D CA 1.799 55.834 54.000 0.058 0.000 0.833 552 D CB -0.778 40.060 40.800 0.064 0.000 0.954 552 D HN 0.727 nan 8.370 nan 0.000 0.455 553 A N 0.537 123.408 122.820 0.086 0.000 1.930 553 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 553 A C 2.367 179.915 177.584 -0.059 0.000 1.175 553 A CA 1.934 54.007 52.037 0.059 0.000 0.627 553 A CB -1.014 18.107 19.000 0.201 0.000 0.815 553 A HN 0.297 nan 8.150 nan 0.000 0.443 554 G N -0.035 108.751 108.800 -0.023 0.000 2.459 554 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 554 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 554 G C 1.681 176.482 174.900 -0.165 0.000 1.183 554 G CA 1.165 46.143 45.100 -0.204 0.000 0.776 554 G HN 0.560 nan 8.290 nan 0.000 0.552 555 K N 0.558 120.922 120.400 -0.061 0.000 2.032 555 K HA -0.030 4.290 4.320 -0.000 0.000 0.209 555 K C 2.967 179.617 176.600 0.085 0.000 1.048 555 K CA 1.111 57.403 56.287 0.007 0.000 0.927 555 K CB -0.267 32.277 32.500 0.074 0.000 0.712 555 K HN 0.281 nan 8.250 nan 0.000 0.441 556 A N 1.409 124.247 122.820 0.029 0.000 1.902 556 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 556 A C 2.105 179.668 177.584 -0.035 0.000 1.181 556 A CA 1.163 53.191 52.037 -0.015 0.000 0.623 556 A CB -0.548 18.433 19.000 -0.033 0.000 0.818 556 A HN 0.242 nan 8.150 nan 0.000 0.443 557 L N -1.291 119.897 121.223 -0.058 0.000 2.012 557 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 557 L C 2.215 179.013 176.870 -0.122 0.000 1.073 557 L CA 2.437 57.225 54.840 -0.088 0.000 0.748 557 L CB -0.847 40.950 42.059 -0.437 0.000 0.891 557 L HN 0.457 nan 8.230 nan 0.000 0.431 558 F N -0.401 119.381 119.950 -0.281 0.000 2.095 558 F HA -0.274 4.253 4.527 -0.000 0.000 0.298 558 F C 2.554 178.185 175.800 -0.282 0.000 1.104 558 F CA 2.042 59.857 58.000 -0.309 0.000 1.232 558 F CB -0.442 38.331 39.000 -0.378 0.000 0.987 558 F HN 0.259 nan 8.300 nan 0.000 0.475 559 H N -0.552 118.501 119.070 -0.029 0.000 2.491 559 H HA -0.040 4.516 4.556 -0.000 0.000 0.290 559 H C 2.493 177.704 175.328 -0.195 0.000 1.050 559 H CA 1.327 57.300 56.048 -0.125 0.000 1.309 559 H CB -0.507 29.252 29.762 -0.005 0.000 1.392 559 H HN 0.402 nan 8.280 nan 0.000 0.554 560 S N -0.147 115.500 115.700 -0.088 0.000 2.528 560 S HA 0.076 4.546 4.470 -0.000 0.000 0.219 560 S C 0.940 175.551 174.600 0.019 0.000 0.985 560 S CA -0.183 57.989 58.200 -0.047 0.000 0.914 560 S CB -0.102 63.074 63.200 -0.039 0.000 0.776 560 S HN 0.059 nan 8.310 nan 0.000 0.526 561 L N 2.659 123.787 121.223 -0.157 0.000 2.379 561 L HA 0.503 4.843 4.340 -0.000 0.000 0.269 561 L C -2.086 174.667 176.870 -0.195 0.000 1.084 561 L CA -2.573 52.134 54.840 -0.221 0.000 0.802 561 L CB 0.830 42.654 42.059 -0.393 0.000 1.175 561 L HN 0.084 nan 8.230 nan 0.000 0.448 562 P HA 0.038 nan 4.420 nan 0.000 0.274 562 P C 0.112 177.334 177.300 -0.131 0.000 1.237 562 P CA -0.315 62.736 63.100 -0.083 0.000 0.793 562 P CB 0.862 32.556 31.700 -0.009 0.000 0.977 563 E N 0.868 121.003 120.200 -0.109 0.000 2.130 563 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 563 E C 1.840 178.401 176.600 -0.065 0.000 0.998 563 E CA 1.188 57.525 56.400 -0.104 0.000 0.806 563 E CB -0.192 29.478 29.700 -0.051 0.000 0.738 563 E HN 0.395 nan 8.360 nan 0.000 0.459 564 M N -0.274 119.308 119.600 -0.031 0.000 2.149 564 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 564 M C 2.034 178.322 176.300 -0.021 0.000 1.064 564 M CA 1.792 57.086 55.300 -0.009 0.000 1.102 564 M CB -0.012 32.600 32.600 0.020 0.000 1.369 564 M HN 0.209 nan 8.290 nan 0.000 0.408 565 A N -0.836 121.973 122.820 -0.019 0.000 2.119 565 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 565 A C 1.851 179.405 177.584 -0.049 0.000 1.152 565 A CA 1.578 53.620 52.037 0.008 0.000 0.708 565 A CB -0.739 18.256 19.000 -0.008 0.000 0.805 565 A HN 0.666 nan 8.150 nan 0.000 0.460 566 T N -3.757 110.747 114.554 -0.084 0.000 3.023 566 T HA 0.344 4.694 4.350 -0.000 0.000 0.253 566 T C 0.744 175.451 174.700 0.010 0.000 1.038 566 T CA -0.357 61.718 62.100 -0.042 0.000 0.962 566 T CB 0.114 68.906 68.868 -0.128 0.000 1.018 566 T HN 0.307 nan 8.240 nan 0.000 0.521 567 R N 1.423 121.912 120.500 -0.019 0.000 2.720 567 R HA 0.452 4.792 4.340 -0.000 0.000 0.272 567 R C -2.188 174.081 176.300 -0.052 0.000 0.991 567 R CA -2.303 53.790 56.100 -0.012 0.000 1.010 567 R CB 1.203 31.506 30.300 0.005 0.000 1.141 567 R HN -0.054 nan 8.270 nan 0.000 0.494 568 P HA 0.063 nan 4.420 nan 0.000 0.245 568 P C -0.321 176.919 177.300 -0.101 0.000 1.206 568 P CA 0.500 63.548 63.100 -0.088 0.000 0.781 568 P CB 0.323 31.986 31.700 -0.062 0.000 0.994 569 D N -0.499 119.858 120.400 -0.072 0.000 2.172 569 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 569 D C 1.837 178.080 176.300 -0.094 0.000 0.999 569 D CA 1.163 55.108 54.000 -0.091 0.000 0.856 569 D CB -0.634 40.152 40.800 -0.023 0.000 0.934 569 D HN 0.126 nan 8.370 nan 0.000 0.453 570 M N 0.100 119.655 119.600 -0.074 0.000 2.108 570 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 570 M C 1.720 177.867 176.300 -0.255 0.000 1.066 570 M CA 1.356 56.594 55.300 -0.103 0.000 1.107 570 M CB -0.124 32.296 32.600 -0.299 0.000 1.356 570 M HN 0.008 nan 8.290 nan 0.000 0.406 571 T N 0.829 115.188 114.554 -0.325 0.000 2.708 571 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 571 T C 1.755 176.426 174.700 -0.047 0.000 1.037 571 T CA 1.571 63.513 62.100 -0.262 0.000 1.146 571 T CB -0.493 68.243 68.868 -0.221 0.000 0.865 571 T HN 0.591 nan 8.240 nan 0.000 0.435 572 A N 1.212 123.986 122.820 -0.078 0.000 1.892 572 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 572 A C 1.927 179.517 177.584 0.010 0.000 1.188 572 A CA 2.169 54.164 52.037 -0.070 0.000 0.631 572 A CB -1.096 17.796 19.000 -0.180 0.000 0.822 572 A HN 0.693 nan 8.150 nan 0.000 0.447 573 H N -2.681 116.460 119.070 0.118 0.000 2.353 573 H HA -0.206 4.350 4.556 -0.000 0.000 0.300 573 H C 1.929 177.450 175.328 0.320 0.000 1.090 573 H CA 1.775 57.930 56.048 0.179 0.000 1.327 573 H CB -0.145 29.711 29.762 0.157 0.000 1.383 573 H HN 0.686 nan 8.280 nan 0.000 0.508 574 W N 1.524 122.950 121.300 0.211 0.000 2.333 574 W HA -0.139 4.521 4.660 -0.000 0.000 0.316 574 W C 2.385 179.031 176.519 0.212 0.000 1.215 574 W CA 0.846 58.384 57.345 0.321 0.000 1.278 574 W CB -0.623 29.004 29.460 0.278 0.000 1.154 574 W HN 0.210 nan 8.180 nan 0.000 0.486 575 E N -0.223 120.187 120.200 0.351 0.000 2.077 575 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 575 E C 2.241 178.924 176.600 0.137 0.000 0.989 575 E CA 1.702 58.213 56.400 0.185 0.000 0.800 575 E CB -1.116 28.654 29.700 0.116 0.000 0.746 575 E HN 0.237 nan 8.360 nan 0.000 0.452 576 S N 0.499 116.289 115.700 0.149 0.000 2.370 576 S HA -0.135 4.335 4.470 -0.000 0.000 0.226 576 S C 2.162 176.833 174.600 0.117 0.000 1.033 576 S CA 1.534 59.803 58.200 0.115 0.000 1.011 576 S CB -0.141 63.132 63.200 0.122 0.000 0.852 576 S HN 0.079 nan 8.310 nan 0.000 0.457 577 V N 1.714 121.729 119.914 0.169 0.000 2.488 577 V HA 0.015 4.135 4.120 -0.000 0.000 0.246 577 V C 2.396 178.536 176.094 0.076 0.000 1.046 577 V CA 1.443 63.836 62.300 0.155 0.000 1.053 577 V CB -0.668 31.310 31.823 0.258 0.000 0.679 577 V HN 0.472 nan 8.190 nan 0.000 0.458 578 L N -0.293 120.946 121.223 0.026 0.000 2.141 578 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 578 L C 2.568 179.414 176.870 -0.040 0.000 1.094 578 L CA 1.592 56.371 54.840 -0.103 0.000 0.763 578 L CB -1.012 40.959 42.059 -0.147 0.000 0.908 578 L HN 0.320 nan 8.230 nan 0.000 0.437 579 T N -0.805 113.754 114.554 0.008 0.000 2.746 579 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 579 T C 1.928 176.634 174.700 0.009 0.000 1.039 579 T CA 1.302 63.408 62.100 0.009 0.000 1.142 579 T CB -0.133 68.749 68.868 0.024 0.000 0.866 579 T HN 0.395 nan 8.240 nan 0.000 0.444 580 Q N 0.190 120.005 119.800 0.025 0.000 2.084 580 Q HA -0.014 4.325 4.340 -0.000 0.000 0.202 580 Q C 2.389 178.413 176.000 0.041 0.000 0.978 580 Q CA 1.193 57.016 55.803 0.033 0.000 0.844 580 Q CB -0.371 28.395 28.738 0.045 0.000 0.898 580 Q HN 0.504 nan 8.270 nan 0.000 0.426 581 I N 0.991 121.581 120.570 0.033 0.000 2.127 581 I HA -0.324 3.846 4.170 -0.000 0.000 0.241 581 I C 2.592 178.691 176.117 -0.030 0.000 1.075 581 I CA 1.587 62.917 61.300 0.050 0.000 1.334 581 I CB -0.410 37.577 38.000 -0.022 0.000 1.040 581 I HN 0.255 nan 8.210 nan 0.000 0.405 582 S N 0.146 115.810 115.700 -0.060 0.000 2.423 582 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 582 S C 1.635 176.202 174.600 -0.056 0.000 1.014 582 S CA 0.805 58.957 58.200 -0.080 0.000 0.965 582 S CB -0.363 62.803 63.200 -0.056 0.000 0.785 582 S HN 0.422 nan 8.310 nan 0.000 0.495 583 E N 1.277 121.465 120.200 -0.020 0.000 2.478 583 E HA 0.062 4.412 4.350 -0.000 0.000 0.198 583 E C 0.331 176.937 176.600 0.011 0.000 1.046 583 E CA 0.166 56.558 56.400 -0.013 0.000 0.870 583 E CB -0.294 29.405 29.700 -0.002 0.000 0.818 583 E HN 0.621 nan 8.360 nan 0.000 0.527 584 K N -0.140 120.303 120.400 0.072 0.000 3.230 584 K HA -0.246 4.074 4.320 -0.000 0.000 0.285 584 K C 0.733 177.377 176.600 0.073 0.000 1.196 584 K CA 0.579 56.968 56.287 0.170 0.000 0.838 584 K CB -1.061 31.495 32.500 0.093 0.000 1.262 584 K HN 0.177 nan 8.250 nan 0.000 0.492 585 Q N -0.855 118.978 119.800 0.055 0.000 2.360 585 Q HA 0.068 4.408 4.340 -0.000 0.000 0.202 585 Q C 0.529 176.539 176.000 0.016 0.000 0.915 585 Q CA 0.904 56.720 55.803 0.023 0.000 0.943 585 Q CB 0.486 29.235 28.738 0.019 0.000 1.064 585 Q HN 0.608 nan 8.270 nan 0.000 0.511 586 C N -2.780 116.541 119.300 0.036 0.000 3.167 586 C HA 0.551 5.011 4.460 -0.000 0.000 0.348 586 C C -1.354 173.644 174.990 0.013 0.000 1.394 586 C CA -1.476 57.538 59.018 -0.006 0.000 1.204 586 C CB 1.117 28.866 27.740 0.015 0.000 1.467 586 C HN 0.177 nan 8.230 nan 0.000 0.446 587 R N -0.510 119.940 120.500 -0.084 0.000 2.691 587 R HA 0.468 4.808 4.340 -0.000 0.000 0.259 587 R C 0.687 176.993 176.300 0.010 0.000 1.048 587 R CA -0.465 55.524 56.100 -0.185 0.000 1.086 587 R CB 0.604 30.550 30.300 -0.590 0.000 1.166 587 R HN 0.826 nan 8.270 nan 0.000 0.526 588 Y N 1.290 121.542 120.300 -0.079 0.000 2.102 588 Y HA -0.354 4.196 4.550 -0.000 0.000 0.280 588 Y C 2.049 178.060 175.900 0.185 0.000 1.178 588 Y CA 1.975 60.132 58.100 0.095 0.000 1.146 588 Y CB 0.127 38.712 38.460 0.209 0.000 0.968 588 Y HN 0.449 nan 8.280 nan 0.000 0.504 589 Q N 0.273 120.306 119.800 0.388 0.000 2.226 589 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 589 Q C 1.639 177.699 176.000 0.100 0.000 0.975 589 Q CA 1.576 57.551 55.803 0.286 0.000 0.866 589 Q CB -0.453 28.553 28.738 0.446 0.000 0.915 589 Q HN 0.654 nan 8.270 nan 0.000 0.440 590 D N -0.797 119.650 120.400 0.078 0.000 2.310 590 D HA -0.110 4.530 4.640 -0.000 0.000 0.212 590 D C 1.386 177.700 176.300 0.024 0.000 0.965 590 D CA 0.520 54.543 54.000 0.039 0.000 0.879 590 D CB -0.074 40.748 40.800 0.037 0.000 0.921 590 D HN 0.230 nan 8.370 nan 0.000 0.510 591 F N 0.297 120.146 119.950 -0.167 0.000 2.419 591 F HA 0.038 4.565 4.527 -0.000 0.000 0.283 591 F C 2.049 177.675 175.800 -0.291 0.000 1.044 591 F CA 0.210 58.062 58.000 -0.245 0.000 1.376 591 F CB 0.042 38.855 39.000 -0.311 0.000 1.131 591 F HN -0.280 nan 8.300 nan 0.000 0.585 592 M N 0.725 120.192 119.600 -0.222 0.000 2.213 592 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 592 M C 2.163 178.351 176.300 -0.187 0.000 1.062 592 M CA 1.352 56.499 55.300 -0.254 0.000 1.105 592 M CB -1.338 31.151 32.600 -0.185 0.000 1.385 592 M HN 0.409 nan 8.290 nan 0.000 0.417 593 Q N 0.393 120.114 119.800 -0.130 0.000 1.993 593 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 593 Q C -0.736 175.193 176.000 -0.118 0.000 0.984 593 Q CA 1.737 57.491 55.803 -0.081 0.000 0.837 593 Q CB -0.776 27.938 28.738 -0.041 0.000 0.902 593 Q HN 0.269 nan 8.270 nan 0.000 0.423 594 P HA -0.180 nan 4.420 nan 0.000 0.216 594 P C 1.545 178.728 177.300 -0.195 0.000 1.150 594 P CA 1.005 64.000 63.100 -0.175 0.000 0.837 594 P CB -0.164 31.409 31.700 -0.211 0.000 0.786 595 L N -0.075 120.938 121.223 -0.350 0.000 1.976 595 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 595 L C 2.511 179.347 176.870 -0.057 0.000 1.071 595 L CA 1.758 56.418 54.840 -0.300 0.000 0.746 595 L CB -1.089 40.606 42.059 -0.606 0.000 0.890 595 L HN -0.251 nan 8.230 nan 0.000 0.432 596 V N 0.274 120.177 119.914 -0.018 0.000 2.332 596 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 596 V C 2.566 178.785 176.094 0.209 0.000 1.055 596 V CA 1.908 64.290 62.300 0.137 0.000 1.038 596 V CB -1.603 30.309 31.823 0.149 0.000 0.651 596 V HN 0.700 nan 8.190 nan 0.000 0.450 597 G N -0.551 108.297 108.800 0.081 0.000 2.433 597 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 597 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 597 G C 1.693 176.662 174.900 0.114 0.000 1.186 597 G CA 1.490 46.628 45.100 0.064 0.000 0.779 597 G HN 0.458 nan 8.290 nan 0.000 0.543 598 T N 1.266 115.865 114.554 0.075 0.000 2.665 598 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 598 T C 2.265 177.055 174.700 0.150 0.000 1.035 598 T CA 1.347 63.503 62.100 0.093 0.000 1.151 598 T CB -0.317 68.591 68.868 0.067 0.000 0.862 598 T HN 0.136 nan 8.240 nan 0.000 0.438 599 L N 0.032 121.361 121.223 0.177 0.000 2.012 599 L HA -0.110 4.229 4.340 -0.000 0.000 0.210 599 L C 2.125 179.050 176.870 0.092 0.000 1.073 599 L CA 1.769 56.706 54.840 0.162 0.000 0.748 599 L CB -0.787 41.360 42.059 0.147 0.000 0.891 599 L HN 0.257 nan 8.230 nan 0.000 0.431 600 Y N -0.414 119.908 120.300 0.036 0.000 2.181 600 Y HA -0.269 4.281 4.550 -0.000 0.000 0.288 600 Y C 2.865 178.774 175.900 0.016 0.000 1.146 600 Y CA 2.112 60.221 58.100 0.015 0.000 1.164 600 Y CB -0.407 38.057 38.460 0.008 0.000 0.982 600 Y HN 0.379 nan 8.280 nan 0.000 0.515 601 Q N 0.429 120.342 119.800 0.188 0.000 2.050 601 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 601 Q C 2.171 178.224 176.000 0.087 0.000 0.980 601 Q CA 1.610 57.480 55.803 0.112 0.000 0.840 601 Q CB -0.334 28.455 28.738 0.085 0.000 0.898 601 Q HN 0.535 nan 8.270 nan 0.000 0.424 602 L N 0.427 121.708 121.223 0.097 0.000 2.017 602 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 602 L C 2.509 179.416 176.870 0.061 0.000 1.073 602 L CA 0.616 55.514 54.840 0.097 0.000 0.745 602 L CB -0.462 41.681 42.059 0.140 0.000 0.894 602 L HN 0.271 nan 8.230 nan 0.000 0.432 603 I N 0.101 120.677 120.570 0.011 0.000 2.286 603 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 603 I C 2.055 178.147 176.117 -0.042 0.000 1.115 603 I CA 1.612 62.879 61.300 -0.056 0.000 1.392 603 I CB -1.118 36.796 38.000 -0.143 0.000 1.065 603 I HN 0.277 nan 8.210 nan 0.000 0.418 604 D N 0.246 120.648 120.400 0.003 0.000 2.104 604 D HA -0.229 4.411 4.640 -0.000 0.000 0.194 604 D C 2.291 178.594 176.300 0.005 0.000 0.994 604 D CA 1.208 55.216 54.000 0.013 0.000 0.830 604 D CB 0.023 40.851 40.800 0.046 0.000 0.959 604 D HN 0.328 nan 8.370 nan 0.000 0.452 605 Q N -0.286 119.527 119.800 0.022 0.000 2.096 605 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 605 Q C 2.159 178.163 176.000 0.006 0.000 0.982 605 Q CA 1.458 57.277 55.803 0.027 0.000 0.850 605 Q CB -0.134 28.637 28.738 0.054 0.000 0.901 605 Q HN 0.298 nan 8.270 nan 0.000 0.422 606 A N 1.144 123.947 122.820 -0.028 0.000 1.883 606 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 606 A C 1.869 179.350 177.584 -0.172 0.000 1.186 606 A CA 1.743 53.670 52.037 -0.183 0.000 0.624 606 A CB -0.387 18.404 19.000 -0.348 0.000 0.822 606 A HN 0.217 nan 8.150 nan 0.000 0.444 607 K N -0.752 119.578 120.400 -0.115 0.000 2.209 607 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 607 K C 1.883 178.454 176.600 -0.049 0.000 1.048 607 K CA 1.218 57.454 56.287 -0.085 0.000 0.940 607 K CB -0.113 32.351 32.500 -0.060 0.000 0.729 607 K HN 0.375 nan 8.250 nan 0.000 0.451 608 R N 0.390 120.872 120.500 -0.031 0.000 2.310 608 R HA 0.053 4.393 4.340 -0.000 0.000 0.202 608 R C -0.009 176.289 176.300 -0.003 0.000 0.933 608 R CA 0.279 56.373 56.100 -0.011 0.000 1.054 608 R CB 0.345 30.644 30.300 -0.001 0.000 0.985 608 R HN 0.016 nan 8.270 nan 0.000 0.489 609 T N 3.982 118.531 114.554 -0.008 0.000 2.794 609 T HA 0.175 4.525 4.350 -0.000 0.000 0.296 609 T C -2.173 172.552 174.700 0.042 0.000 0.949 609 T CA -1.211 60.903 62.100 0.023 0.000 1.101 609 T CB 1.358 70.253 68.868 0.044 0.000 0.905 609 T HN 0.056 nan 8.240 nan 0.000 0.516 610 P HA 0.120 nan 4.420 nan 0.000 0.276 610 P C 1.143 178.495 177.300 0.087 0.000 1.230 610 P CA -0.435 62.689 63.100 0.040 0.000 0.776 610 P CB 0.876 32.581 31.700 0.010 0.000 0.888 611 V N 2.183 122.173 119.914 0.127 0.000 2.951 611 V HA -0.142 3.978 4.120 -0.000 0.000 0.255 611 V C 2.161 178.368 176.094 0.189 0.000 1.088 611 V CA 0.700 63.154 62.300 0.256 0.000 1.109 611 V CB -1.181 30.757 31.823 0.192 0.000 0.724 611 V HN 0.360 nan 8.190 nan 0.000 0.471 612 R N 2.195 122.739 120.500 0.073 0.000 2.165 612 R HA -0.321 4.019 4.340 -0.000 0.000 0.254 612 R C 2.390 178.681 176.300 -0.014 0.000 1.153 612 R CA 2.634 58.752 56.100 0.030 0.000 0.971 612 R CB -0.849 29.451 30.300 -0.001 0.000 0.878 612 R HN 0.884 nan 8.270 nan 0.000 0.449 613 Q N -0.118 119.604 119.800 -0.130 0.000 2.436 613 Q HA -0.071 4.269 4.340 -0.000 0.000 0.209 613 Q C 0.872 176.658 176.000 -0.357 0.000 0.965 613 Q CA 1.074 56.711 55.803 -0.276 0.000 0.910 613 Q CB -0.061 28.437 28.738 -0.400 0.000 0.980 613 Q HN 0.405 nan 8.270 nan 0.000 0.491 614 F N 0.951 120.909 119.950 0.013 0.000 2.692 614 F HA 0.285 4.812 4.527 -0.000 0.000 0.303 614 F C 0.568 176.388 175.800 0.033 0.000 1.114 614 F CA -0.633 57.369 58.000 0.003 0.000 1.361 614 F CB 0.342 39.343 39.000 0.001 0.000 1.063 614 F HN -0.146 nan 8.300 nan 0.000 0.550 615 R N 0.138 120.725 120.500 0.145 0.000 2.441 615 R HA 0.415 4.755 4.340 -0.000 0.000 0.284 615 R C 1.135 177.495 176.300 0.100 0.000 1.070 615 R CA 0.552 56.724 56.100 0.120 0.000 1.047 615 R CB 0.628 30.974 30.300 0.077 0.000 1.016 615 R HN 0.335 nan 8.270 nan 0.000 0.477 616 G N 2.597 111.463 108.800 0.109 0.000 2.160 616 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 616 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 616 G C 0.060 175.028 174.900 0.113 0.000 1.022 616 G CA 0.408 45.563 45.100 0.093 0.000 0.741 616 G HN 0.629 nan 8.290 nan 0.000 0.508 617 I N -2.758 117.911 120.570 0.166 0.000 2.530 617 I HA 0.895 5.065 4.170 -0.000 0.000 0.297 617 I C -0.181 176.126 176.117 0.316 0.000 1.011 617 I CA -1.583 59.841 61.300 0.207 0.000 1.107 617 I CB 2.307 40.411 38.000 0.173 0.000 1.285 617 I HN -0.015 nan 8.210 nan 0.000 0.436 618 V N 4.728 124.805 119.914 0.271 0.000 2.815 618 V HA 0.824 4.944 4.120 -0.000 0.000 0.314 618 V C 0.478 176.696 176.094 0.207 0.000 1.064 618 V CA -0.422 61.996 62.300 0.197 0.000 0.952 618 V CB 1.939 33.817 31.823 0.093 0.000 1.020 618 V HN 1.055 nan 8.190 nan 0.000 0.439 619 A N 6.813 129.609 122.820 -0.040 0.000 2.351 619 A HA 0.747 5.067 4.320 -0.000 0.000 0.257 619 A C -1.836 175.732 177.584 -0.027 0.000 1.087 619 A CA -0.889 51.071 52.037 -0.129 0.000 0.798 619 A CB -0.266 18.492 19.000 -0.403 0.000 1.033 619 A HN 0.820 nan 8.150 nan 0.000 0.488 649 S N 0.619 116.277 115.700 -0.071 0.000 2.453 649 S HA 0.143 4.613 4.470 -0.000 0.000 0.231 649 S C 2.394 176.918 174.600 -0.127 0.000 1.005 649 S CA 1.673 59.813 58.200 -0.100 0.000 0.949 649 S CB -0.332 62.835 63.200 -0.055 0.000 0.774 649 S HN 0.761 nan 8.310 nan 0.000 0.510 650 G N 1.875 110.588 108.800 -0.145 0.000 2.440 650 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.218 650 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.218 650 G C 1.632 176.241 174.900 -0.484 0.000 1.154 650 G CA 0.907 45.847 45.100 -0.267 0.000 0.767 650 G HN 0.761 nan 8.290 nan 0.000 0.552 651 A N 0.591 123.237 122.820 -0.290 0.000 1.897 651 A HA 0.136 4.456 4.320 -0.000 0.000 0.215 651 A C 2.396 179.954 177.584 -0.042 0.000 1.181 651 A CA 1.144 53.069 52.037 -0.187 0.000 0.620 651 A CB -0.310 18.645 19.000 -0.075 0.000 0.821 651 A HN 0.367 nan 8.150 nan 0.000 0.443 652 I N 0.109 120.644 120.570 -0.057 0.000 2.118 652 I HA -0.349 3.821 4.170 -0.000 0.000 0.241 652 I C 2.995 179.242 176.117 0.217 0.000 1.070 652 I CA 1.301 62.627 61.300 0.043 0.000 1.327 652 I CB -0.430 37.466 38.000 -0.174 0.000 1.034 652 I HN 0.353 nan 8.210 nan 0.000 0.405 653 A N 0.079 122.957 122.820 0.096 0.000 1.883 653 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 653 A C 2.158 179.912 177.584 0.283 0.000 1.186 653 A CA 1.946 54.073 52.037 0.150 0.000 0.624 653 A CB -1.391 17.642 19.000 0.054 0.000 0.822 653 A HN 0.527 nan 8.150 nan 0.000 0.444 654 H N -2.837 116.309 119.070 0.126 0.000 2.390 654 H HA -0.211 4.345 4.556 -0.000 0.000 0.298 654 H C 2.245 177.728 175.328 0.259 0.000 1.106 654 H CA 1.533 57.664 56.048 0.139 0.000 1.297 654 H CB -0.023 29.820 29.762 0.136 0.000 1.375 654 H HN 0.748 nan 8.280 nan 0.000 0.509 655 H N -0.160 119.079 119.070 0.281 0.000 2.343 655 H HA -0.069 4.487 4.556 -0.000 0.000 0.303 655 H C 2.015 177.438 175.328 0.158 0.000 1.068 655 H CA 1.512 57.675 56.048 0.192 0.000 1.359 655 H CB -0.179 29.641 29.762 0.096 0.000 1.402 655 H HN 0.325 nan 8.280 nan 0.000 0.515 656 H N -1.905 117.227 119.070 0.104 0.000 2.426 656 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 656 H C 1.775 177.134 175.328 0.051 0.000 1.107 656 H CA 2.018 58.088 56.048 0.037 0.000 1.298 656 H CB 0.069 29.891 29.762 0.100 0.000 1.377 656 H HN 0.470 nan 8.280 nan 0.000 0.519 657 H N -1.516 117.628 119.070 0.124 0.000 2.486 657 H HA 0.117 4.673 4.556 -0.000 0.000 0.287 657 H C 0.723 176.067 175.328 0.027 0.000 1.010 657 H CA 0.245 56.325 56.048 0.053 0.000 1.324 657 H CB 0.318 30.092 29.762 0.019 0.000 1.446 657 H HN 0.356 nan 8.280 nan 0.000 0.537 658 H N 0.000 119.130 119.070 0.099 0.000 2.539 658 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 658 H CA 0.000 56.072 56.048 0.040 0.000 1.023 658 H CB 0.000 29.802 29.762 0.067 0.000 1.292 658 H HN 0.000 nan 8.280 nan 0.000 0.496