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 2exk_1_B DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPDPSICRVG DDYYIAVSTF EWFPGVRIYH SKDLKNWRLV DATA SEQUENCE ARPLNRLSQL NMIGNPDSGG VWAPHLSYSD GKFWLIYTDV KVVEGQWKDG DATA SEQUENCE HNYLVTCDTI DGAWSDPIYL NSSGFDPSLF HDEDGRKYLV NMYWDHRVDH DATA SEQUENCE HPFYGIVLQE YSVEQKKLVG EPKIIFKGTD LRITGGPHLY KINGYYYLLT DATA SEQUENCE AEGGTRYNHA ATIARSTSLY GPYEVHPDNP LLTSWPYPRN PLQKAGHASI DATA SEQUENCE VHTHTDEWFL VHLTGRPLPR EGQPLLEHRG YCPLGRETAI QRLEWKDGWP DATA SEQUENCE YVVGGNGPSL EIDGPSVEEV SWEKDYDEKD DFDGDTLNHH FQTLRIPLGE DATA SEQUENCE DIATLKARPG HLRLYGRESL TSRFTQAFVA RRWQHFHFVA ETKVSFRPTT DATA SEQUENCE FQQSAGLVNY YNTQNWTTLQ ITWHEEKGRI LELMTCDHLV VDQPLRGREI DATA SEQUENCE VVPDDIEYVY LRVTVQATTY KYSYSFDGMN WIDLPVTFES YKLSDDYIKS DATA SEQUENCE RAAFTGAFVG MHCRDGSGQN NYADFDYFLY KEL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.605 176.600 0.008 0.000 0.988 3 K CA 0.000 56.292 56.287 0.008 0.000 0.838 3 K CB 0.000 32.505 32.500 0.008 0.000 1.064 4 I N 3.344 123.929 120.570 0.025 0.000 2.362 4 I HA 0.256 4.425 4.170 -0.000 0.000 0.289 4 I C -0.631 175.513 176.117 0.046 0.000 0.994 4 I CA -0.761 60.558 61.300 0.031 0.000 1.158 4 I CB 1.575 39.592 38.000 0.029 0.000 1.315 4 I HN 0.037 nan 8.210 nan 0.000 0.451 5 K N 6.264 126.690 120.400 0.044 0.000 2.185 5 K HA 0.362 4.682 4.320 -0.000 0.000 0.269 5 K C -0.582 176.043 176.600 0.042 0.000 0.987 5 K CA -0.380 55.935 56.287 0.047 0.000 0.865 5 K CB 0.858 33.387 32.500 0.047 0.000 1.090 5 K HN 0.410 nan 8.250 nan 0.000 0.450 6 N N 4.037 122.763 118.700 0.043 0.000 2.508 6 N HA 0.419 5.159 4.740 -0.000 0.000 0.285 6 N C -2.507 173.022 175.510 0.033 0.000 1.144 6 N CA -1.656 51.407 53.050 0.021 0.000 0.978 6 N CB 1.068 39.575 38.487 0.033 0.000 1.180 6 N HN 0.494 nan 8.380 nan 0.000 0.484 7 P HA 0.242 nan 4.420 nan 0.000 0.277 7 P C 0.837 178.068 177.300 -0.115 0.000 1.240 7 P CA -0.332 62.723 63.100 -0.075 0.000 0.798 7 P CB 0.663 32.312 31.700 -0.085 0.000 0.979 8 I N -0.854 119.602 120.570 -0.190 0.000 2.716 8 I HA 0.105 4.275 4.170 -0.000 0.000 0.259 8 I C 0.257 176.132 176.117 -0.403 0.000 1.172 8 I CA 0.904 62.075 61.300 -0.216 0.000 1.478 8 I CB -0.344 37.526 38.000 -0.217 0.000 1.104 8 I HN 0.057 nan 8.210 nan 0.000 0.439 9 L N 1.695 122.590 121.223 -0.547 0.000 2.319 9 L HA 0.494 4.833 4.340 -0.000 0.000 0.281 9 L C -0.448 176.106 176.870 -0.528 0.000 1.005 9 L CA -0.244 54.104 54.840 -0.819 0.000 0.828 9 L CB 1.717 43.003 42.059 -1.288 0.000 1.227 9 L HN -0.038 nan 8.230 nan 0.000 0.415 10 T N 1.865 116.175 114.554 -0.407 0.000 2.902 10 T HA 0.676 5.026 4.350 -0.000 0.000 0.283 10 T C 0.375 175.033 174.700 -0.070 0.000 1.009 10 T CA 0.638 62.613 62.100 -0.208 0.000 1.051 10 T CB 1.740 70.454 68.868 -0.256 0.000 0.999 10 T HN 0.955 nan 8.240 nan 0.000 0.474 11 G N 2.455 111.202 108.800 -0.090 0.000 2.806 11 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.236 11 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.236 11 G C -0.180 174.748 174.900 0.045 0.000 1.387 11 G CA -0.385 44.679 45.100 -0.060 0.000 0.884 11 G HN 0.899 nan 8.290 nan 0.000 0.560 12 F N 2.286 122.075 119.950 -0.269 0.000 2.327 12 F HA 0.293 4.819 4.527 -0.000 0.000 0.340 12 F C 0.772 176.298 175.800 -0.457 0.000 1.125 12 F CA 0.583 58.413 58.000 -0.283 0.000 0.910 12 F CB -0.948 37.860 39.000 -0.319 0.000 0.934 12 F HN 0.529 nan 8.300 nan 0.000 0.548 13 H N 4.950 123.944 119.070 -0.126 0.000 2.696 13 H HA 0.301 4.857 4.556 -0.000 0.000 0.221 13 H C -2.638 172.631 175.328 -0.098 0.000 1.399 13 H CA -1.276 54.624 56.048 -0.246 0.000 1.408 13 H CB 0.572 30.162 29.762 -0.287 0.000 1.853 13 H HN 0.316 nan 8.280 nan 0.000 0.546 14 P HA 0.167 nan 4.420 nan 0.000 0.281 14 P C -0.351 176.981 177.300 0.054 0.000 1.281 14 P CA -0.491 62.681 63.100 0.121 0.000 0.811 14 P CB 0.808 32.650 31.700 0.236 0.000 1.154 15 D N -2.163 118.239 120.400 0.004 0.000 2.737 15 D HA -0.112 4.528 4.640 -0.000 0.000 0.238 15 D C -2.089 174.273 176.300 0.103 0.000 1.157 15 D CA 0.406 54.350 54.000 -0.095 0.000 0.694 15 D CB -1.634 38.998 40.800 -0.279 0.000 1.021 15 D HN 0.322 nan 8.370 nan 0.000 0.420 16 P HA 0.110 nan 4.420 nan 0.000 0.276 16 P C -0.262 177.159 177.300 0.201 0.000 1.243 16 P CA -0.018 63.143 63.100 0.102 0.000 0.768 16 P CB 1.453 33.157 31.700 0.007 0.000 0.856 17 S N 4.348 120.161 115.700 0.189 0.000 2.520 17 S HA 0.441 4.911 4.470 -0.000 0.000 0.324 17 S C -0.294 174.421 174.600 0.192 0.000 1.069 17 S CA -0.887 57.443 58.200 0.216 0.000 1.121 17 S CB -0.369 62.978 63.200 0.244 0.000 0.971 17 S HN 0.416 nan 8.310 nan 0.000 0.463 18 I N 4.890 125.592 120.570 0.220 0.000 2.440 18 I HA 0.594 4.764 4.170 -0.000 0.000 0.294 18 I C -0.625 175.697 176.117 0.341 0.000 0.995 18 I CA -0.468 61.005 61.300 0.288 0.000 1.306 18 I CB 0.959 39.136 38.000 0.296 0.000 1.407 18 I HN 0.773 nan 8.210 nan 0.000 0.501 19 C N 8.285 127.837 119.300 0.421 0.000 2.481 19 C HA 0.504 4.964 4.460 -0.000 0.000 0.324 19 C C -0.494 174.765 174.990 0.447 0.000 1.170 19 C CA -0.671 58.612 59.018 0.441 0.000 1.361 19 C CB 1.132 29.163 27.740 0.486 0.000 1.977 19 C HN 0.929 nan 8.230 nan 0.000 0.459 20 R N 4.641 125.327 120.500 0.310 0.000 2.346 20 R HA 0.735 5.075 4.340 -0.000 0.000 0.311 20 R C -1.649 174.642 176.300 -0.015 0.000 0.983 20 R CA -0.258 55.867 56.100 0.041 0.000 0.880 20 R CB 1.345 31.676 30.300 0.051 0.000 1.100 20 R HN 0.652 nan 8.270 nan 0.000 0.453 21 V N 5.531 125.350 119.914 -0.160 0.000 2.357 21 V HA 0.357 4.476 4.120 -0.000 0.000 0.281 21 V C 0.967 176.880 176.094 -0.301 0.000 1.015 21 V CA 0.187 62.323 62.300 -0.274 0.000 0.827 21 V CB 0.700 32.284 31.823 -0.399 0.000 1.018 21 V HN 1.180 nan 8.190 nan 0.000 0.432 22 G N 5.112 113.755 108.800 -0.262 0.000 2.620 22 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.315 22 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.315 22 G C 0.535 175.195 174.900 -0.400 0.000 1.179 22 G CA 0.776 45.721 45.100 -0.260 0.000 0.971 22 G HN 0.947 nan 8.290 nan 0.000 0.544 23 D N 1.218 121.340 120.400 -0.463 0.000 2.440 23 D HA 0.244 4.884 4.640 -0.000 0.000 0.216 23 D C -0.317 175.733 176.300 -0.418 0.000 1.150 23 D CA 0.194 53.838 54.000 -0.593 0.000 0.832 23 D CB 0.048 40.411 40.800 -0.728 0.000 0.992 23 D HN 0.357 nan 8.370 nan 0.000 0.502 24 D N 0.583 120.704 120.400 -0.466 0.000 2.177 24 D HA 0.234 4.873 4.640 -0.000 0.000 0.247 24 D C -0.696 175.156 176.300 -0.747 0.000 1.063 24 D CA -0.196 53.581 54.000 -0.372 0.000 0.867 24 D CB 1.139 41.863 40.800 -0.125 0.000 1.168 24 D HN 0.101 nan 8.370 nan 0.000 0.445 25 Y N 1.070 121.122 120.300 -0.413 0.000 2.376 25 Y HA 0.385 4.934 4.550 -0.000 0.000 0.340 25 Y C -0.566 175.209 175.900 -0.208 0.000 0.965 25 Y CA -0.907 57.069 58.100 -0.207 0.000 1.078 25 Y CB 1.412 39.816 38.460 -0.094 0.000 1.193 25 Y HN 0.236 nan 8.280 nan 0.000 0.452 26 Y N 3.039 123.662 120.300 0.538 0.000 2.425 26 Y HA 0.659 5.209 4.550 -0.000 0.000 0.344 26 Y C -0.565 175.587 175.900 0.420 0.000 0.969 26 Y CA -1.063 57.332 58.100 0.492 0.000 1.052 26 Y CB 1.851 40.499 38.460 0.313 0.000 1.215 26 Y HN 0.373 nan 8.280 nan 0.000 0.451 27 I N 2.955 123.811 120.570 0.477 0.000 2.410 27 I HA 0.582 4.751 4.170 -0.000 0.000 0.286 27 I C -0.497 175.737 176.117 0.195 0.000 1.009 27 I CA -0.837 60.579 61.300 0.193 0.000 1.111 27 I CB 1.500 39.388 38.000 -0.187 0.000 1.262 27 I HN 0.733 nan 8.210 nan 0.000 0.443 28 A N 6.973 129.883 122.820 0.150 0.000 2.301 28 A HA 0.742 5.061 4.320 -0.000 0.000 0.298 28 A C -0.257 177.371 177.584 0.074 0.000 1.185 28 A CA -0.441 51.649 52.037 0.089 0.000 0.830 28 A CB 0.871 19.904 19.000 0.055 0.000 1.112 28 A HN 0.579 nan 8.150 nan 0.000 0.508 29 V N 0.829 120.771 119.914 0.046 0.000 2.919 29 V HA 0.850 4.970 4.120 -0.000 0.000 0.316 29 V C 0.226 176.288 176.094 -0.053 0.000 1.077 29 V CA -0.374 61.933 62.300 0.012 0.000 0.977 29 V CB 1.380 33.215 31.823 0.020 0.000 1.039 29 V HN 1.107 nan 8.190 nan 0.000 0.441 30 S N 1.203 116.871 115.700 -0.054 0.000 2.580 30 S HA 0.488 4.958 4.470 -0.000 0.000 0.274 30 S C 0.715 175.275 174.600 -0.067 0.000 1.329 30 S CA 0.216 58.345 58.200 -0.118 0.000 1.036 30 S CB 1.043 64.112 63.200 -0.219 0.000 0.919 30 S HN 1.382 nan 8.310 nan 0.000 0.515 31 T N -2.054 112.486 114.554 -0.023 0.000 2.986 31 T HA 0.334 4.684 4.350 -0.000 0.000 0.264 31 T C 0.486 175.592 174.700 0.677 0.000 0.964 31 T CA -0.221 62.048 62.100 0.282 0.000 0.895 31 T CB -0.818 68.098 68.868 0.080 0.000 1.163 31 T HN 0.551 nan 8.240 nan 0.000 0.517 32 F N 2.640 122.824 119.950 0.390 0.000 2.271 32 F HA -0.346 4.181 4.527 -0.000 0.000 0.306 32 F C 1.854 177.810 175.800 0.260 0.000 1.484 32 F CA 1.891 60.107 58.000 0.360 0.000 1.166 32 F CB -1.126 38.076 39.000 0.335 0.000 3.762 32 F HN 0.314 nan 8.300 nan 0.000 0.149 33 E N 0.561 120.982 120.200 0.369 0.000 2.482 33 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 33 E C -0.006 176.560 176.600 -0.057 0.000 1.047 33 E CA 0.671 57.107 56.400 0.060 0.000 0.869 33 E CB -0.344 29.285 29.700 -0.119 0.000 0.836 33 E HN 0.497 nan 8.360 nan 0.000 0.520 34 W N 1.058 122.452 121.300 0.157 0.000 2.287 34 W HA 0.372 5.032 4.660 -0.000 0.000 0.313 34 W C -0.252 176.332 176.519 0.108 0.000 1.267 34 W CA -0.741 56.657 57.345 0.089 0.000 1.201 34 W CB 0.452 29.979 29.460 0.111 0.000 1.196 34 W HN -0.115 nan 8.180 nan 0.000 0.536 35 F N 6.274 126.332 119.950 0.180 0.000 2.469 35 F HA 0.541 5.068 4.527 -0.000 0.000 0.332 35 F C -1.926 173.918 175.800 0.073 0.000 1.103 35 F CA -2.978 55.063 58.000 0.068 0.000 0.979 35 F CB 1.091 40.087 39.000 -0.007 0.000 1.137 35 F HN 0.093 nan 8.300 nan 0.000 0.463 36 P HA 0.284 nan 4.420 nan 0.000 0.279 36 P C -0.708 176.227 177.300 -0.609 0.000 1.276 36 P CA -0.413 61.935 63.100 -1.253 0.000 0.801 36 P CB 0.689 31.793 31.700 -0.993 0.000 1.127 37 G N -0.602 107.813 108.800 -0.641 0.000 2.390 37 G HA2 0.482 4.442 3.960 -0.000 0.000 0.270 37 G HA3 0.482 4.442 3.960 -0.000 0.000 0.270 37 G C -0.731 173.933 174.900 -0.393 0.000 1.211 37 G CA -0.416 44.450 45.100 -0.391 0.000 0.842 37 G HN 0.442 nan 8.290 nan 0.000 0.519 38 V N 1.304 121.049 119.914 -0.282 0.000 3.478 38 V HA -0.176 3.943 4.120 -0.000 0.000 0.498 38 V C -0.470 175.469 176.094 -0.258 0.000 0.682 38 V CA 0.089 62.231 62.300 -0.262 0.000 2.047 38 V CB -0.768 30.858 31.823 -0.328 0.000 2.481 38 V HN 1.084 nan 8.190 nan 0.000 0.507 39 R N 4.817 125.205 120.500 -0.187 0.000 2.338 39 R HA 0.749 5.089 4.340 -0.000 0.000 0.317 39 R C -0.590 175.633 176.300 -0.130 0.000 0.968 39 R CA -0.606 55.372 56.100 -0.202 0.000 0.849 39 R CB 1.482 31.718 30.300 -0.105 0.000 1.128 39 R HN 0.719 nan 8.270 nan 0.000 0.448 40 I N 3.769 124.205 120.570 -0.224 0.000 2.362 40 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 40 I C -0.628 175.427 176.117 -0.103 0.000 0.994 40 I CA -0.935 60.326 61.300 -0.066 0.000 1.158 40 I CB 0.895 38.846 38.000 -0.081 0.000 1.315 40 I HN 0.353 nan 8.210 nan 0.000 0.451 41 Y N 4.473 124.856 120.300 0.138 0.000 2.419 41 Y HA 0.413 4.963 4.550 -0.000 0.000 0.328 41 Y C 0.276 176.481 175.900 0.508 0.000 1.162 41 Y CA -0.454 57.796 58.100 0.251 0.000 1.174 41 Y CB 1.095 39.683 38.460 0.214 0.000 1.228 41 Y HN 0.474 nan 8.280 nan 0.000 0.473 42 H N 0.757 120.071 119.070 0.406 0.000 2.569 42 H HA 0.660 5.216 4.556 -0.000 0.000 0.357 42 H C -1.372 173.927 175.328 -0.048 0.000 1.153 42 H CA -0.388 55.742 56.048 0.137 0.000 1.193 42 H CB 2.108 31.838 29.762 -0.053 0.000 1.602 42 H HN 0.658 nan 8.280 nan 0.000 0.523 43 S N 2.316 117.459 115.700 -0.928 0.000 2.556 43 S HA 0.272 4.742 4.470 -0.000 0.000 0.271 43 S C -0.012 174.178 174.600 -0.684 0.000 1.135 43 S CA -0.767 56.859 58.200 -0.955 0.000 0.858 43 S CB 1.578 63.599 63.200 -1.965 0.000 1.114 43 S HN 0.722 nan 8.310 nan 0.000 0.468 44 K N 1.414 121.603 120.400 -0.351 0.000 2.335 44 K HA 0.162 4.482 4.320 -0.000 0.000 0.195 44 K C 0.320 176.828 176.600 -0.155 0.000 1.058 44 K CA 0.769 56.975 56.287 -0.135 0.000 0.988 44 K CB 0.002 32.446 32.500 -0.093 0.000 0.880 44 K HN 0.779 nan 8.250 nan 0.000 0.513 45 D N -0.362 119.824 120.400 -0.357 0.000 2.500 45 D HA 0.092 4.732 4.640 -0.000 0.000 0.217 45 D C 0.887 176.908 176.300 -0.466 0.000 1.159 45 D CA -0.268 53.521 54.000 -0.352 0.000 0.828 45 D CB 0.002 40.630 40.800 -0.286 0.000 1.039 45 D HN 0.009 nan 8.370 nan 0.000 0.512 46 L N -1.101 119.733 121.223 -0.649 0.000 5.051 46 L HA -0.347 3.993 4.340 -0.000 0.000 0.432 46 L C 1.670 178.476 176.870 -0.107 0.000 1.055 46 L CA 1.593 56.160 54.840 -0.454 0.000 1.095 46 L CB -1.129 40.630 42.059 -0.500 0.000 1.957 46 L HN 0.249 nan 8.230 nan 0.000 0.727 47 K N 0.349 120.587 120.400 -0.269 0.000 2.172 47 K HA 0.098 4.418 4.320 -0.000 0.000 0.203 47 K C 0.664 177.243 176.600 -0.034 0.000 1.040 47 K CA 0.352 56.605 56.287 -0.058 0.000 0.974 47 K CB 0.392 32.829 32.500 -0.104 0.000 0.857 47 K HN 0.232 nan 8.250 nan 0.000 0.464 48 N N 0.615 119.162 118.700 -0.255 0.000 2.422 48 N HA 0.115 4.855 4.740 -0.000 0.000 0.266 48 N C -1.529 173.964 175.510 -0.030 0.000 1.007 48 N CA -0.097 52.912 53.050 -0.068 0.000 0.941 48 N CB 0.816 39.183 38.487 -0.200 0.000 1.115 48 N HN 0.120 nan 8.380 nan 0.000 0.492 49 W N 1.219 122.699 121.300 0.301 0.000 2.785 49 W HA 0.452 5.112 4.660 -0.000 0.000 0.333 49 W C 0.446 177.112 176.519 0.245 0.000 1.062 49 W CA -0.920 56.566 57.345 0.235 0.000 1.233 49 W CB 1.790 31.268 29.460 0.030 0.000 1.413 49 W HN 0.252 nan 8.180 nan 0.000 0.489 50 R N 3.232 123.902 120.500 0.284 0.000 2.575 50 R HA 0.608 4.948 4.340 -0.000 0.000 0.293 50 R C -1.552 174.778 176.300 0.050 0.000 0.983 50 R CA -0.994 55.146 56.100 0.066 0.000 0.887 50 R CB 1.532 31.495 30.300 -0.562 0.000 1.184 50 R HN 0.634 nan 8.270 nan 0.000 0.445 51 L N 5.475 126.611 121.223 -0.145 0.000 2.462 51 L HA 0.081 4.421 4.340 -0.000 0.000 0.272 51 L C 0.424 177.080 176.870 -0.357 0.000 1.166 51 L CA 0.624 55.078 54.840 -0.645 0.000 0.880 51 L CB 1.551 43.020 42.059 -0.984 0.000 1.142 51 L HN 0.711 nan 8.230 nan 0.000 0.473 52 V N 1.761 121.503 119.914 -0.286 0.000 3.497 52 V HA 0.750 4.870 4.120 -0.000 0.000 0.272 52 V C 0.375 176.377 176.094 -0.152 0.000 1.474 52 V CA 0.427 62.633 62.300 -0.158 0.000 1.025 52 V CB -0.244 31.521 31.823 -0.096 0.000 0.820 52 V HN 0.902 nan 8.190 nan 0.000 0.437 53 A N 0.652 123.343 122.820 -0.215 0.000 2.547 53 A HA 0.876 5.196 4.320 -0.000 0.000 0.297 53 A C -0.634 176.796 177.584 -0.257 0.000 1.056 53 A CA -0.757 51.172 52.037 -0.179 0.000 0.688 53 A CB 1.523 20.452 19.000 -0.118 0.000 1.282 53 A HN 0.300 nan 8.150 nan 0.000 0.400 54 R N 2.610 122.969 120.500 -0.236 0.000 2.585 54 R HA 0.295 4.634 4.340 -0.000 0.000 0.278 54 R C -2.338 173.757 176.300 -0.342 0.000 1.663 54 R CA -1.462 54.461 56.100 -0.296 0.000 1.592 54 R CB 1.423 31.573 30.300 -0.249 0.000 1.200 54 R HN 0.448 nan 8.270 nan 0.000 0.611 55 P HA -0.100 nan 4.420 nan 0.000 0.217 55 P C 0.157 177.126 177.300 -0.551 0.000 1.151 55 P CA 0.904 63.568 63.100 -0.728 0.000 0.828 55 P CB 0.345 31.116 31.700 -1.548 0.000 0.788 56 L N 1.028 121.906 121.223 -0.575 0.000 2.422 56 L HA 0.223 4.563 4.340 -0.000 0.000 0.256 56 L C 0.601 177.170 176.870 -0.501 0.000 1.202 56 L CA -0.176 54.355 54.840 -0.516 0.000 1.119 56 L CB -0.804 40.861 42.059 -0.656 0.000 1.383 56 L HN 0.046 nan 8.230 nan 0.000 0.411 57 N N 0.222 118.741 118.700 -0.302 0.000 2.177 57 N HA 0.111 4.851 4.740 -0.000 0.000 0.218 57 N C 0.216 175.807 175.510 0.135 0.000 1.182 57 N CA -0.429 52.488 53.050 -0.221 0.000 0.882 57 N CB 0.607 39.001 38.487 -0.155 0.000 1.052 57 N HN 0.302 nan 8.380 nan 0.000 0.519 58 R N -0.048 120.525 120.500 0.122 0.000 2.740 58 R HA 0.426 4.766 4.340 -0.000 0.000 0.282 58 R C 0.645 177.043 176.300 0.163 0.000 0.969 58 R CA -0.770 55.422 56.100 0.154 0.000 0.918 58 R CB 1.694 32.038 30.300 0.073 0.000 1.175 58 R HN 0.012 nan 8.270 nan 0.000 0.464 59 L N 0.909 122.196 121.223 0.106 0.000 2.187 59 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 59 L C 2.227 179.112 176.870 0.024 0.000 1.100 59 L CA 1.679 56.545 54.840 0.045 0.000 0.765 59 L CB -0.416 41.630 42.059 -0.021 0.000 0.904 59 L HN 0.749 nan 8.230 nan 0.000 0.437 60 S N -0.833 114.880 115.700 0.021 0.000 2.419 60 S HA -0.231 4.239 4.470 -0.000 0.000 0.233 60 S C 1.792 176.387 174.600 -0.009 0.000 1.016 60 S CA 1.027 59.230 58.200 0.004 0.000 0.974 60 S CB -0.216 62.993 63.200 0.015 0.000 0.786 60 S HN 0.548 nan 8.310 nan 0.000 0.492 61 Q N -0.341 119.465 119.800 0.011 0.000 2.259 61 Q HA 0.434 4.774 4.340 -0.000 0.000 0.201 61 Q C -0.462 175.533 176.000 -0.009 0.000 0.938 61 Q CA 0.369 56.175 55.803 0.004 0.000 0.872 61 Q CB 0.267 28.991 28.738 -0.024 0.000 0.971 61 Q HN 0.448 nan 8.270 nan 0.000 0.494 62 L N 1.304 122.546 121.223 0.031 0.000 2.611 62 L HA 0.388 4.728 4.340 -0.000 0.000 0.263 62 L C -1.972 174.983 176.870 0.141 0.000 0.969 62 L CA -0.335 54.555 54.840 0.083 0.000 0.894 62 L CB 1.873 43.958 42.059 0.043 0.000 1.229 62 L HN -0.098 nan 8.230 nan 0.000 0.416 63 N N 5.466 124.207 118.700 0.069 0.000 2.696 63 N HA 0.381 5.121 4.740 -0.000 0.000 0.246 63 N C -0.295 175.228 175.510 0.021 0.000 1.057 63 N CA -0.231 52.832 53.050 0.022 0.000 0.867 63 N CB 0.856 39.339 38.487 -0.007 0.000 1.141 63 N HN 0.729 nan 8.380 nan 0.000 0.517 64 M N 2.281 121.888 119.600 0.011 0.000 2.356 64 M HA 0.279 4.758 4.480 -0.000 0.000 0.262 64 M C 0.680 176.932 176.300 -0.080 0.000 1.097 64 M CA -0.382 54.919 55.300 0.002 0.000 0.991 64 M CB 0.520 33.153 32.600 0.055 0.000 1.450 64 M HN 0.416 nan 8.290 nan 0.000 0.495 65 I N 1.172 121.682 120.570 -0.100 0.000 2.752 65 I HA -0.062 4.108 4.170 -0.000 0.000 0.289 65 I C 1.286 177.255 176.117 -0.247 0.000 1.197 65 I CA 1.385 62.593 61.300 -0.154 0.000 1.432 65 I CB 0.530 38.501 38.000 -0.048 0.000 1.359 65 I HN 0.673 nan 8.210 nan 0.000 0.571 66 G N 4.608 113.027 108.800 -0.636 0.000 2.267 66 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.257 66 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.257 66 G C 0.385 175.050 174.900 -0.392 0.000 0.998 66 G CA 0.230 44.825 45.100 -0.840 0.000 0.620 66 G HN 0.652 nan 8.290 nan 0.000 0.529 67 N N 2.594 121.156 118.700 -0.229 0.000 2.294 67 N HA 0.311 5.051 4.740 -0.000 0.000 0.248 67 N C -1.668 173.787 175.510 -0.091 0.000 1.242 67 N CA 0.021 53.011 53.050 -0.099 0.000 0.848 67 N CB 0.680 39.150 38.487 -0.030 0.000 1.084 67 N HN 0.342 nan 8.380 nan 0.000 0.457 68 P HA 0.082 nan 4.420 nan 0.000 0.274 68 P C -0.783 176.540 177.300 0.039 0.000 1.237 68 P CA -0.300 62.806 63.100 0.009 0.000 0.793 68 P CB 0.601 32.332 31.700 0.052 0.000 0.977 69 D N 0.386 120.798 120.400 0.020 0.000 2.488 69 D HA -0.025 4.615 4.640 -0.000 0.000 0.238 69 D C 0.715 177.066 176.300 0.085 0.000 1.138 69 D CA 0.865 54.876 54.000 0.018 0.000 0.873 69 D CB -0.193 40.603 40.800 -0.007 0.000 1.183 69 D HN 0.305 nan 8.370 nan 0.000 0.458 70 S N -0.210 115.554 115.700 0.106 0.000 3.521 70 S HA -0.146 4.324 4.470 -0.000 0.000 0.328 70 S C 0.742 175.747 174.600 0.675 0.000 1.165 70 S CA 0.782 59.117 58.200 0.225 0.000 0.941 70 S CB -1.137 62.021 63.200 -0.071 0.000 0.951 70 S HN 0.765 nan 8.310 nan 0.000 0.539 71 G N -0.399 108.723 108.800 0.536 0.000 2.583 71 G HA2 0.751 4.711 3.960 -0.000 0.000 0.280 71 G HA3 0.751 4.711 3.960 -0.000 0.000 0.280 71 G C 0.811 176.029 174.900 0.529 0.000 1.376 71 G CA 0.214 45.641 45.100 0.544 0.000 1.043 71 G HN 1.434 nan 8.290 nan 0.000 0.538 72 G N -1.823 107.149 108.800 0.287 0.000 2.523 72 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.271 72 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.271 72 G C 0.044 175.088 174.900 0.239 0.000 1.146 72 G CA 0.214 45.452 45.100 0.230 0.000 0.961 72 G HN 1.496 nan 8.290 nan 0.000 0.549 73 V N 1.816 121.820 119.914 0.151 0.000 2.352 73 V HA 0.412 4.531 4.120 -0.000 0.000 0.253 73 V C 0.620 176.529 176.094 -0.310 0.000 1.083 73 V CA -0.037 62.276 62.300 0.023 0.000 0.993 73 V CB -0.166 31.642 31.823 -0.026 0.000 1.111 73 V HN 0.458 nan 8.190 nan 0.000 0.490 74 W N 2.346 123.368 121.300 -0.463 0.000 1.807 74 W HA 0.590 5.250 4.660 -0.000 0.000 0.493 74 W C 0.994 177.333 176.519 -0.298 0.000 2.080 74 W CA -0.755 56.244 57.345 -0.576 0.000 2.345 74 W CB 0.046 29.372 29.460 -0.224 0.000 1.717 74 W HN 0.497 nan 8.180 nan 0.000 0.777 75 A N 3.971 126.864 122.820 0.121 0.000 2.573 75 A HA 0.181 4.501 4.320 -0.000 0.000 0.250 75 A C -2.044 175.686 177.584 0.244 0.000 1.049 75 A CA -0.351 51.770 52.037 0.140 0.000 0.767 75 A CB -1.359 17.782 19.000 0.234 0.000 0.965 75 A HN 0.186 nan 8.150 nan 0.000 0.514 76 P HA 0.460 nan 4.420 nan 0.000 0.285 76 P C -1.120 176.408 177.300 0.380 0.000 1.285 76 P CA -0.320 62.938 63.100 0.265 0.000 0.854 76 P CB 1.279 33.066 31.700 0.145 0.000 1.180 77 H N 0.023 119.258 119.070 0.275 0.000 2.744 77 H HA 0.584 5.140 4.556 -0.000 0.000 0.339 77 H C -1.633 173.871 175.328 0.293 0.000 1.004 77 H CA -0.731 55.500 56.048 0.305 0.000 1.257 77 H CB 0.682 30.652 29.762 0.346 0.000 1.552 77 H HN 0.172 nan 8.280 nan 0.000 0.522 78 L N 4.912 126.033 121.223 -0.169 0.000 2.307 78 L HA 0.679 5.018 4.340 -0.000 0.000 0.284 78 L C -0.764 176.057 176.870 -0.081 0.000 1.023 78 L CA 0.020 54.867 54.840 0.012 0.000 0.810 78 L CB 1.191 43.339 42.059 0.149 0.000 1.231 78 L HN 0.839 nan 8.230 nan 0.000 0.423 79 S N 3.448 119.295 115.700 0.245 0.000 2.685 79 S HA 0.676 5.145 4.470 -0.000 0.000 0.282 79 S C -1.410 173.517 174.600 0.544 0.000 1.159 79 S CA -0.695 57.726 58.200 0.368 0.000 0.833 79 S CB 1.391 64.850 63.200 0.433 0.000 1.151 79 S HN 0.571 nan 8.310 nan 0.000 0.485 80 Y N 0.227 120.647 120.300 0.199 0.000 2.421 80 Y HA 0.718 5.268 4.550 -0.000 0.000 0.339 80 Y C -0.611 175.196 175.900 -0.156 0.000 0.996 80 Y CA 0.050 58.151 58.100 0.000 0.000 1.046 80 Y CB 1.999 40.323 38.460 -0.226 0.000 1.226 80 Y HN 1.084 nan 8.280 nan 0.000 0.445 81 S N 3.746 119.146 115.700 -0.500 0.000 2.558 81 S HA 0.324 4.793 4.470 -0.000 0.000 0.277 81 S C -1.737 172.749 174.600 -0.189 0.000 1.143 81 S CA -0.522 57.426 58.200 -0.421 0.000 0.865 81 S CB 0.774 63.411 63.200 -0.938 0.000 1.102 81 S HN 0.833 nan 8.310 nan 0.000 0.454 82 D N 2.027 122.344 120.400 -0.139 0.000 2.723 82 D HA -0.155 4.485 4.640 -0.000 0.000 0.236 82 D C 0.885 177.093 176.300 -0.153 0.000 1.138 82 D CA 2.215 56.186 54.000 -0.049 0.000 0.676 82 D CB -1.596 39.270 40.800 0.110 0.000 1.069 82 D HN 1.633 nan 8.370 nan 0.000 0.430 83 G N -0.296 108.321 108.800 -0.304 0.000 2.159 83 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.256 83 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.256 83 G C 0.242 174.854 174.900 -0.480 0.000 0.977 83 G CA 1.149 46.086 45.100 -0.271 0.000 0.652 83 G HN 0.844 nan 8.290 nan 0.000 0.531 84 K N -1.377 118.496 120.400 -0.879 0.000 2.533 84 K HA 0.773 5.093 4.320 -0.000 0.000 0.272 84 K C -0.922 175.132 176.600 -0.911 0.000 0.985 84 K CA -1.387 54.425 56.287 -0.790 0.000 0.876 84 K CB 1.088 33.215 32.500 -0.622 0.000 1.452 84 K HN -0.029 nan 8.250 nan 0.000 0.439 85 F N 0.817 120.541 119.950 -0.377 0.000 2.384 85 F HA 0.398 4.925 4.527 -0.000 0.000 0.338 85 F C -0.617 175.126 175.800 -0.095 0.000 1.103 85 F CA 0.164 58.141 58.000 -0.038 0.000 1.157 85 F CB 0.807 39.803 39.000 -0.007 0.000 1.167 85 F HN 0.370 nan 8.300 nan 0.000 0.529 86 W N 5.357 126.896 121.300 0.397 0.000 2.600 86 W HA 0.616 5.276 4.660 -0.000 0.000 0.325 86 W C -1.381 175.398 176.519 0.434 0.000 1.034 86 W CA -0.825 56.750 57.345 0.385 0.000 1.226 86 W CB 1.316 30.964 29.460 0.312 0.000 1.379 86 W HN 0.155 nan 8.180 nan 0.000 0.466 87 L N 5.867 127.464 121.223 0.623 0.000 2.349 87 L HA 0.628 4.968 4.340 -0.000 0.000 0.278 87 L C -1.133 175.974 176.870 0.394 0.000 0.996 87 L CA -0.816 54.251 54.840 0.379 0.000 0.825 87 L CB 0.562 42.629 42.059 0.014 0.000 1.243 87 L HN 0.207 nan 8.230 nan 0.000 0.412 88 I N 6.207 127.001 120.570 0.373 0.000 2.377 88 I HA 0.460 4.630 4.170 -0.000 0.000 0.293 88 I C -0.445 175.886 176.117 0.357 0.000 0.987 88 I CA -0.541 60.946 61.300 0.311 0.000 1.185 88 I CB 0.851 39.010 38.000 0.265 0.000 1.341 88 I HN 0.736 nan 8.210 nan 0.000 0.455 89 Y N 2.130 122.537 120.300 0.179 0.000 2.625 89 Y HA 0.781 5.331 4.550 -0.000 0.000 0.338 89 Y C -0.787 175.233 175.900 0.199 0.000 1.123 89 Y CA -1.014 57.185 58.100 0.164 0.000 1.046 89 Y CB 1.243 39.765 38.460 0.104 0.000 1.299 89 Y HN 0.438 nan 8.280 nan 0.000 0.464 90 T N 1.548 116.275 114.554 0.290 0.000 2.888 90 T HA 0.328 4.677 4.350 -0.000 0.000 0.284 90 T C -1.651 173.225 174.700 0.294 0.000 1.017 90 T CA -0.573 61.630 62.100 0.172 0.000 1.022 90 T CB 1.459 70.371 68.868 0.073 0.000 1.013 90 T HN 0.665 nan 8.240 nan 0.000 0.465 91 D N 2.190 122.762 120.400 0.286 0.000 2.460 91 D HA 0.358 4.998 4.640 -0.000 0.000 0.232 91 D C -0.731 175.602 176.300 0.055 0.000 1.079 91 D CA -0.498 53.649 54.000 0.246 0.000 0.864 91 D CB 0.691 41.713 40.800 0.370 0.000 1.048 91 D HN 0.174 nan 8.370 nan 0.000 0.523 92 V N 5.643 125.487 119.914 -0.116 0.000 2.432 92 V HA 0.217 4.337 4.120 -0.000 0.000 0.275 92 V C 1.331 177.347 176.094 -0.130 0.000 1.043 92 V CA -0.379 61.724 62.300 -0.329 0.000 0.925 92 V CB 1.549 32.803 31.823 -0.948 0.000 0.985 92 V HN 0.437 nan 8.190 nan 0.000 0.466 93 K N 3.011 123.334 120.400 -0.128 0.000 2.335 93 K HA 0.271 4.591 4.320 -0.000 0.000 0.195 93 K C -0.070 176.502 176.600 -0.047 0.000 1.058 93 K CA 0.614 56.874 56.287 -0.046 0.000 0.988 93 K CB 0.995 33.486 32.500 -0.015 0.000 0.880 93 K HN 0.462 nan 8.250 nan 0.000 0.513 94 V N 1.963 121.817 119.914 -0.100 0.000 2.525 94 V HA 0.181 4.301 4.120 -0.000 0.000 0.299 94 V C 0.389 176.445 176.094 -0.064 0.000 1.034 94 V CA -0.644 61.622 62.300 -0.057 0.000 0.863 94 V CB 1.948 33.734 31.823 -0.063 0.000 0.999 94 V HN 0.012 nan 8.190 nan 0.000 0.423 95 V N 0.589 120.531 119.914 0.048 0.000 3.398 95 V HA 0.554 4.674 4.120 -0.000 0.000 0.298 95 V C 0.179 176.373 176.094 0.167 0.000 1.496 95 V CA 0.172 62.564 62.300 0.153 0.000 1.044 95 V CB 0.215 32.229 31.823 0.318 0.000 0.880 95 V HN 0.777 nan 8.190 nan 0.000 0.443 96 E N 0.444 120.718 120.200 0.124 0.000 2.292 96 E HA 0.650 5.000 4.350 -0.000 0.000 0.272 96 E C 0.084 176.779 176.600 0.157 0.000 0.881 96 E CA -0.022 56.460 56.400 0.137 0.000 0.754 96 E CB 2.241 32.007 29.700 0.109 0.000 1.201 96 E HN 0.643 nan 8.360 nan 0.000 0.425 97 G N 1.624 110.531 108.800 0.179 0.000 2.447 97 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 97 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 97 G C 0.245 175.273 174.900 0.213 0.000 1.261 97 G CA -0.620 44.601 45.100 0.202 0.000 1.000 97 G HN 0.414 nan 8.290 nan 0.000 0.515 98 Q N -0.803 119.079 119.800 0.137 0.000 2.297 98 Q HA 0.059 4.399 4.340 -0.000 0.000 0.204 98 Q C 0.729 176.734 176.000 0.007 0.000 0.962 98 Q CA 1.073 56.825 55.803 -0.085 0.000 0.879 98 Q CB 0.178 28.548 28.738 -0.613 0.000 0.947 98 Q HN 0.515 nan 8.270 nan 0.000 0.462 99 W N 0.190 121.608 121.300 0.197 0.000 2.576 99 W HA 0.362 5.022 4.660 -0.000 0.000 0.360 99 W C 0.507 176.757 176.519 -0.449 0.000 1.109 99 W CA -0.794 56.514 57.345 -0.062 0.000 1.237 99 W CB 1.021 30.426 29.460 -0.091 0.000 1.369 99 W HN -0.234 nan 8.180 nan 0.000 0.609 100 K N 1.380 121.382 120.400 -0.665 0.000 3.278 100 K HA 0.114 4.434 4.320 -0.000 0.000 0.200 100 K C -0.862 175.421 176.600 -0.528 0.000 1.107 100 K CA -0.128 55.713 56.287 -0.744 0.000 0.923 100 K CB -0.412 31.323 32.500 -1.275 0.000 0.787 100 K HN 0.123 nan 8.250 nan 0.000 0.481 101 D N 0.985 121.188 120.400 -0.329 0.000 2.520 101 D HA 0.246 4.885 4.640 -0.000 0.000 0.243 101 D C 0.365 176.423 176.300 -0.404 0.000 1.160 101 D CA 0.970 54.775 54.000 -0.325 0.000 0.877 101 D CB 0.985 41.652 40.800 -0.222 0.000 1.150 101 D HN 0.474 nan 8.370 nan 0.000 0.494 102 G N 1.738 110.198 108.800 -0.567 0.000 2.702 102 G HA2 0.351 4.310 3.960 -0.000 0.000 0.296 102 G HA3 0.351 4.310 3.960 -0.000 0.000 0.296 102 G C -1.517 173.000 174.900 -0.639 0.000 1.463 102 G CA -0.795 43.993 45.100 -0.520 0.000 0.890 102 G HN 0.427 nan 8.290 nan 0.000 0.534 103 H N 1.168 120.173 119.070 -0.107 0.000 2.524 103 H HA 0.449 5.005 4.556 -0.000 0.000 0.353 103 H C -0.542 174.541 175.328 -0.409 0.000 1.136 103 H CA -0.787 55.147 56.048 -0.189 0.000 1.193 103 H CB 2.273 31.933 29.762 -0.169 0.000 1.558 103 H HN 0.337 nan 8.280 nan 0.000 0.515 104 N N 1.905 120.371 118.700 -0.390 0.000 2.430 104 N HA 0.247 4.987 4.740 -0.000 0.000 0.292 104 N C -0.984 174.074 175.510 -0.753 0.000 1.051 104 N CA -0.216 52.567 53.050 -0.444 0.000 0.917 104 N CB 1.415 39.751 38.487 -0.251 0.000 1.164 104 N HN 0.447 nan 8.380 nan 0.000 0.484 105 Y N 0.178 120.264 120.300 -0.357 0.000 2.524 105 Y HA 0.466 5.016 4.550 -0.000 0.000 0.347 105 Y C -0.319 175.384 175.900 -0.329 0.000 1.005 105 Y CA -1.165 56.690 58.100 -0.409 0.000 1.025 105 Y CB 1.646 39.686 38.460 -0.701 0.000 1.275 105 Y HN 0.285 nan 8.280 nan 0.000 0.460 106 L N 4.252 125.518 121.223 0.073 0.000 2.322 106 L HA 0.916 5.256 4.340 -0.000 0.000 0.281 106 L C -1.046 175.990 176.870 0.275 0.000 1.014 106 L CA -0.865 54.073 54.840 0.163 0.000 0.815 106 L CB 1.359 43.461 42.059 0.073 0.000 1.247 106 L HN 0.465 nan 8.230 nan 0.000 0.421 107 V N 1.159 121.300 119.914 0.379 0.000 2.876 107 V HA 0.959 5.079 4.120 -0.000 0.000 0.312 107 V C -0.209 176.156 176.094 0.451 0.000 1.085 107 V CA 0.085 62.622 62.300 0.395 0.000 0.945 107 V CB 1.486 33.573 31.823 0.440 0.000 1.017 107 V HN 0.994 nan 8.190 nan 0.000 0.428 108 T N -0.396 114.317 114.554 0.265 0.000 2.916 108 T HA 0.810 5.160 4.350 -0.000 0.000 0.292 108 T C -0.714 173.808 174.700 -0.297 0.000 1.055 108 T CA -0.652 61.419 62.100 -0.048 0.000 1.009 108 T CB 1.632 70.246 68.868 -0.423 0.000 1.118 108 T HN 1.483 nan 8.240 nan 0.000 0.497 109 C N 1.147 120.005 119.300 -0.735 0.000 3.090 109 C HA 0.484 4.943 4.460 -0.000 0.000 0.347 109 C C 0.489 175.154 174.990 -0.542 0.000 1.147 109 C CA -0.497 58.008 59.018 -0.855 0.000 1.305 109 C CB 1.122 27.792 27.740 -1.784 0.000 1.692 109 C HN 1.048 nan 8.230 nan 0.000 0.506 110 D N 1.098 121.286 120.400 -0.354 0.000 2.219 110 D HA 0.078 4.718 4.640 -0.000 0.000 0.205 110 D C 0.879 177.156 176.300 -0.039 0.000 0.970 110 D CA 1.497 55.380 54.000 -0.196 0.000 0.851 110 D CB 0.314 41.022 40.800 -0.153 0.000 0.943 110 D HN 0.666 nan 8.370 nan 0.000 0.488 111 T N -1.165 113.322 114.554 -0.112 0.000 2.906 111 T HA 0.285 4.635 4.350 -0.000 0.000 0.295 111 T C 0.824 175.363 174.700 -0.270 0.000 1.075 111 T CA -0.785 61.312 62.100 -0.005 0.000 1.005 111 T CB 1.406 70.235 68.868 -0.065 0.000 1.136 111 T HN -0.257 nan 8.240 nan 0.000 0.498 112 I N 1.903 122.230 120.570 -0.405 0.000 2.361 112 I HA -0.013 4.157 4.170 -0.000 0.000 0.251 112 I C 1.134 177.150 176.117 -0.167 0.000 1.133 112 I CA 1.790 62.658 61.300 -0.719 0.000 1.413 112 I CB 0.058 37.413 38.000 -1.074 0.000 1.073 112 I HN 0.777 nan 8.210 nan 0.000 0.424 113 D N -1.339 118.982 120.400 -0.133 0.000 2.538 113 D HA 0.248 4.888 4.640 -0.000 0.000 0.231 113 D C 0.779 177.070 176.300 -0.014 0.000 1.229 113 D CA -0.033 53.957 54.000 -0.017 0.000 0.828 113 D CB -0.711 40.052 40.800 -0.063 0.000 1.035 113 D HN 0.211 nan 8.370 nan 0.000 0.495 114 G N -0.086 108.652 108.800 -0.103 0.000 2.510 114 G HA2 0.517 4.477 3.960 -0.000 0.000 0.280 114 G HA3 0.517 4.477 3.960 -0.000 0.000 0.280 114 G C -0.325 174.559 174.900 -0.027 0.000 1.386 114 G CA -0.621 44.413 45.100 -0.111 0.000 1.047 114 G HN 0.305 nan 8.290 nan 0.000 0.527 115 A N -0.718 122.080 122.820 -0.037 0.000 2.395 115 A HA 0.472 4.792 4.320 -0.000 0.000 0.286 115 A C -0.560 177.028 177.584 0.007 0.000 1.193 115 A CA -0.436 51.623 52.037 0.037 0.000 0.852 115 A CB -0.380 18.627 19.000 0.012 0.000 1.118 115 A HN 0.432 nan 8.150 nan 0.000 0.524 116 W N 2.173 123.436 121.300 -0.061 0.000 2.126 116 W HA 0.373 5.032 4.660 -0.000 0.000 0.346 116 W C 1.235 177.736 176.519 -0.031 0.000 1.279 116 W CA 0.494 57.808 57.345 -0.052 0.000 1.259 116 W CB 0.592 30.016 29.460 -0.060 0.000 1.133 116 W HN 0.826 nan 8.180 nan 0.000 0.592 117 S N 0.817 116.630 115.700 0.188 0.000 2.596 117 S HA 0.103 4.572 4.470 -0.000 0.000 0.260 117 S C -0.194 174.496 174.600 0.151 0.000 1.336 117 S CA -0.853 57.418 58.200 0.119 0.000 0.993 117 S CB 0.567 63.812 63.200 0.076 0.000 0.923 117 S HN 0.374 nan 8.310 nan 0.000 0.567 118 D N 2.477 122.940 120.400 0.106 0.000 2.362 118 D HA 0.336 4.976 4.640 -0.000 0.000 0.242 118 D C -2.045 174.336 176.300 0.134 0.000 1.132 118 D CA -1.063 52.997 54.000 0.100 0.000 0.907 118 D CB 0.187 41.028 40.800 0.069 0.000 1.195 118 D HN 0.419 nan 8.370 nan 0.000 0.429 119 P HA 0.128 nan 4.420 nan 0.000 0.271 119 P C -0.470 176.960 177.300 0.217 0.000 1.216 119 P CA -0.337 62.871 63.100 0.180 0.000 0.776 119 P CB 0.753 32.476 31.700 0.038 0.000 0.881 120 I N 3.785 124.508 120.570 0.254 0.000 2.304 120 I HA 0.137 4.307 4.170 -0.000 0.000 0.291 120 I C 0.365 176.667 176.117 0.308 0.000 1.018 120 I CA -1.124 60.336 61.300 0.267 0.000 1.260 120 I CB -0.254 37.903 38.000 0.261 0.000 1.390 120 I HN 0.407 nan 8.210 nan 0.000 0.475 121 Y N 7.179 127.611 120.300 0.219 0.000 2.442 121 Y HA 0.200 4.750 4.550 -0.000 0.000 0.330 121 Y C 0.304 176.232 175.900 0.046 0.000 1.129 121 Y CA 0.274 58.449 58.100 0.125 0.000 1.365 121 Y CB 0.903 39.430 38.460 0.112 0.000 1.233 121 Y HN 0.547 nan 8.280 nan 0.000 0.529 122 L N 3.988 124.746 121.223 -0.774 0.000 2.327 122 L HA 0.201 4.541 4.340 -0.000 0.000 0.192 122 L C 0.080 176.434 176.870 -0.860 0.000 1.158 122 L CA 0.308 54.791 54.840 -0.595 0.000 0.813 122 L CB -0.226 41.635 42.059 -0.331 0.000 1.021 122 L HN 0.754 nan 8.230 nan 0.000 0.481 123 N N -3.137 115.073 118.700 -0.818 0.000 3.378 123 N HA 0.160 4.900 4.740 -0.000 0.000 0.294 123 N C -0.619 174.805 175.510 -0.144 0.000 1.544 123 N CA -0.401 52.385 53.050 -0.440 0.000 0.872 123 N CB 1.406 39.789 38.487 -0.172 0.000 1.670 123 N HN -0.172 nan 8.380 nan 0.000 0.551 124 S N -1.236 114.465 115.700 0.001 0.000 2.817 124 S HA 0.082 4.552 4.470 -0.000 0.000 0.262 124 S C 0.887 175.403 174.600 -0.140 0.000 1.051 124 S CA 0.157 58.332 58.200 -0.041 0.000 1.185 124 S CB -0.256 62.977 63.200 0.055 0.000 1.152 124 S HN 0.688 nan 8.310 nan 0.000 0.653 125 S N 1.563 117.184 115.700 -0.131 0.000 2.493 125 S HA 0.289 4.759 4.470 -0.000 0.000 0.243 125 S C 1.055 175.466 174.600 -0.315 0.000 0.991 125 S CA 0.727 58.767 58.200 -0.267 0.000 0.957 125 S CB -0.184 62.909 63.200 -0.179 0.000 0.756 125 S HN 0.789 nan 8.310 nan 0.000 0.521 126 G N 0.203 108.871 108.800 -0.219 0.000 2.358 126 G HA2 0.392 4.352 3.960 -0.000 0.000 0.303 126 G HA3 0.392 4.352 3.960 -0.000 0.000 0.303 126 G C -0.580 174.187 174.900 -0.222 0.000 1.537 126 G CA -0.726 44.207 45.100 -0.279 0.000 0.928 126 G HN 0.349 nan 8.290 nan 0.000 0.656 127 F N -0.494 119.417 119.950 -0.065 0.000 2.234 127 F HA 0.689 5.215 4.527 -0.000 0.000 0.292 127 F C 0.685 176.557 175.800 0.120 0.000 1.187 127 F CA -0.066 57.929 58.000 -0.009 0.000 1.128 127 F CB 0.153 39.137 39.000 -0.027 0.000 1.507 127 F HN 0.436 nan 8.300 nan 0.000 0.512 128 D N -0.648 120.039 120.400 0.478 0.000 2.705 128 D HA -0.112 4.528 4.640 -0.000 0.000 0.240 128 D C -2.560 173.842 176.300 0.171 0.000 1.137 128 D CA 0.362 54.589 54.000 0.377 0.000 0.677 128 D CB -1.694 39.358 40.800 0.419 0.000 1.049 128 D HN 0.367 nan 8.370 nan 0.000 0.427 129 P HA 0.300 nan 4.420 nan 0.000 0.278 129 P C -0.396 176.958 177.300 0.091 0.000 1.238 129 P CA -0.172 62.972 63.100 0.073 0.000 0.794 129 P CB 1.800 33.530 31.700 0.050 0.000 0.955 130 S N 2.070 117.755 115.700 -0.026 0.000 2.572 130 S HA 0.493 4.962 4.470 -0.000 0.000 0.274 130 S C -1.469 173.033 174.600 -0.164 0.000 1.150 130 S CA -0.657 57.402 58.200 -0.234 0.000 0.944 130 S CB 0.531 63.538 63.200 -0.321 0.000 1.071 130 S HN 0.313 nan 8.310 nan 0.000 0.479 131 L N 5.375 126.573 121.223 -0.041 0.000 2.272 131 L HA 0.705 5.045 4.340 -0.000 0.000 0.289 131 L C -1.097 175.720 176.870 -0.088 0.000 1.032 131 L CA -0.416 54.392 54.840 -0.053 0.000 0.810 131 L CB 0.841 42.851 42.059 -0.082 0.000 1.205 131 L HN 0.676 nan 8.230 nan 0.000 0.422 132 F N 4.966 124.752 119.950 -0.273 0.000 2.420 132 F HA 0.466 4.993 4.527 -0.000 0.000 0.342 132 F C -0.422 175.213 175.800 -0.275 0.000 1.113 132 F CA -0.367 57.521 58.000 -0.187 0.000 1.059 132 F CB 0.586 39.548 39.000 -0.063 0.000 1.128 132 F HN 0.484 nan 8.300 nan 0.000 0.475 133 H N 4.756 123.422 119.070 -0.674 0.000 2.623 133 H HA 0.182 4.738 4.556 -0.000 0.000 0.299 133 H C -0.703 174.075 175.328 -0.916 0.000 1.052 133 H CA -0.629 55.044 56.048 -0.626 0.000 1.231 133 H CB 1.010 30.568 29.762 -0.339 0.000 1.389 133 H HN 0.572 nan 8.280 nan 0.000 0.469 134 D N 1.927 121.947 120.400 -0.633 0.000 2.313 134 D HA -0.002 4.638 4.640 -0.000 0.000 0.247 134 D C 1.176 177.453 176.300 -0.038 0.000 1.094 134 D CA -0.296 53.507 54.000 -0.328 0.000 0.925 134 D CB 1.186 42.052 40.800 0.110 0.000 1.188 134 D HN 0.454 nan 8.370 nan 0.000 0.430 135 E N 1.107 121.350 120.200 0.072 0.000 2.273 135 E HA -0.191 4.158 4.350 -0.000 0.000 0.198 135 E C 0.739 177.381 176.600 0.070 0.000 1.002 135 E CA 0.918 57.364 56.400 0.078 0.000 0.828 135 E CB 0.044 29.801 29.700 0.094 0.000 0.747 135 E HN 0.528 nan 8.360 nan 0.000 0.491 136 D N -0.952 119.502 120.400 0.091 0.000 2.339 136 D HA 0.082 4.722 4.640 -0.000 0.000 0.217 136 D C 1.266 177.604 176.300 0.063 0.000 1.050 136 D CA 0.589 54.639 54.000 0.084 0.000 0.856 136 D CB 0.151 41.019 40.800 0.114 0.000 0.922 136 D HN 0.150 nan 8.370 nan 0.000 0.518 137 G N 0.403 109.230 108.800 0.044 0.000 2.157 137 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 137 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 137 G C 0.207 175.115 174.900 0.013 0.000 0.979 137 G CA -0.194 44.920 45.100 0.024 0.000 0.650 137 G HN 0.395 nan 8.290 nan 0.000 0.529 138 R N 0.284 120.806 120.500 0.037 0.000 2.500 138 R HA 0.587 4.927 4.340 -0.000 0.000 0.277 138 R C 0.004 176.264 176.300 -0.066 0.000 1.026 138 R CA -0.283 55.811 56.100 -0.010 0.000 1.058 138 R CB 0.925 31.275 30.300 0.083 0.000 1.078 138 R HN 0.262 nan 8.270 nan 0.000 0.509 139 K N 2.338 122.595 120.400 -0.238 0.000 2.324 139 K HA 0.413 4.733 4.320 -0.000 0.000 0.253 139 K C -1.165 175.219 176.600 -0.360 0.000 0.932 139 K CA -0.668 55.480 56.287 -0.233 0.000 0.799 139 K CB 1.983 34.355 32.500 -0.213 0.000 1.154 139 K HN 0.461 nan 8.250 nan 0.000 0.425 140 Y N 0.973 121.254 120.300 -0.032 0.000 2.442 140 Y HA 0.354 4.904 4.550 -0.000 0.000 0.344 140 Y C -0.576 175.317 175.900 -0.011 0.000 0.976 140 Y CA -1.183 56.936 58.100 0.031 0.000 1.040 140 Y CB 1.850 40.353 38.460 0.072 0.000 1.228 140 Y HN 0.404 nan 8.280 nan 0.000 0.451 141 L N 4.912 126.205 121.223 0.116 0.000 2.289 141 L HA 0.751 5.091 4.340 -0.000 0.000 0.285 141 L C -0.700 176.185 176.870 0.024 0.000 1.049 141 L CA -0.627 54.232 54.840 0.031 0.000 0.804 141 L CB 0.967 43.026 42.059 -0.001 0.000 1.195 141 L HN 0.469 nan 8.230 nan 0.000 0.428 142 V N 3.358 123.257 119.914 -0.024 0.000 2.628 142 V HA 0.785 4.905 4.120 -0.000 0.000 0.306 142 V C -0.688 175.379 176.094 -0.045 0.000 1.045 142 V CA -0.588 61.681 62.300 -0.052 0.000 0.905 142 V CB 1.593 33.347 31.823 -0.115 0.000 0.997 142 V HN 0.970 nan 8.190 nan 0.000 0.436 143 N N 2.697 121.385 118.700 -0.020 0.000 2.934 143 N HA 0.471 5.211 4.740 -0.000 0.000 0.253 143 N C -0.808 174.703 175.510 0.000 0.000 1.466 143 N CA -0.892 52.149 53.050 -0.016 0.000 0.858 143 N CB 2.056 40.533 38.487 -0.017 0.000 1.459 143 N HN 0.877 nan 8.380 nan 0.000 0.532 144 M N -0.711 118.857 119.600 -0.052 0.000 2.241 144 M HA 0.414 4.894 4.480 -0.000 0.000 0.335 144 M C -1.076 175.204 176.300 -0.034 0.000 1.122 144 M CA 0.004 55.270 55.300 -0.057 0.000 1.164 144 M CB 0.152 32.636 32.600 -0.193 0.000 1.459 144 M HN 0.525 nan 8.290 nan 0.000 0.461 145 Y N 3.243 123.503 120.300 -0.067 0.000 2.356 145 Y HA 0.363 4.913 4.550 -0.000 0.000 0.334 145 Y C -1.329 174.552 175.900 -0.032 0.000 0.958 145 Y CA -0.575 57.520 58.100 -0.009 0.000 1.196 145 Y CB 0.773 39.297 38.460 0.106 0.000 1.137 145 Y HN 0.817 nan 8.280 nan 0.000 0.485 146 W N 7.586 128.606 121.300 -0.468 0.000 2.287 146 W HA 0.221 4.881 4.660 -0.000 0.000 0.313 146 W C -1.029 175.324 176.519 -0.276 0.000 1.267 146 W CA -0.072 57.043 57.345 -0.383 0.000 1.201 146 W CB 1.219 30.466 29.460 -0.354 0.000 1.196 146 W HN 0.548 nan 8.180 nan 0.000 0.536 147 D N 4.984 124.917 120.400 -0.777 0.000 2.453 147 D HA 0.012 4.652 4.640 -0.000 0.000 0.238 147 D C 1.261 177.110 176.300 -0.752 0.000 1.088 147 D CA -0.226 53.430 54.000 -0.573 0.000 0.854 147 D CB 0.598 41.167 40.800 -0.384 0.000 1.076 147 D HN 0.553 nan 8.370 nan 0.000 0.533 148 H N 2.547 121.371 119.070 -0.411 0.000 2.555 148 H HA 0.156 4.712 4.556 -0.000 0.000 0.269 148 H C -0.023 175.044 175.328 -0.435 0.000 0.988 148 H CA -0.066 55.726 56.048 -0.427 0.000 1.178 148 H CB 0.132 29.480 29.762 -0.690 0.000 1.373 148 H HN 0.119 nan 8.280 nan 0.000 0.588 149 R N 0.864 120.851 120.500 -0.855 0.000 2.590 149 R HA 0.056 4.396 4.340 -0.000 0.000 0.274 149 R C 1.448 177.613 176.300 -0.226 0.000 1.061 149 R CA 0.109 55.856 56.100 -0.587 0.000 1.081 149 R CB 1.054 30.966 30.300 -0.647 0.000 0.984 149 R HN -0.061 nan 8.270 nan 0.000 0.448 150 V N 1.307 121.147 119.914 -0.123 0.000 2.250 150 V HA -0.249 3.870 4.120 -0.000 0.000 0.250 150 V C 0.627 176.723 176.094 0.002 0.000 1.060 150 V CA 1.893 64.166 62.300 -0.045 0.000 1.030 150 V CB -0.258 31.561 31.823 -0.007 0.000 0.643 150 V HN 0.742 nan 8.190 nan 0.000 0.445 151 D N -0.618 119.821 120.400 0.065 0.000 2.970 151 D HA 0.393 5.033 4.640 -0.000 0.000 0.282 151 D C -0.601 175.670 176.300 -0.047 0.000 1.291 151 D CA 0.037 54.050 54.000 0.021 0.000 0.967 151 D CB 0.000 40.796 40.800 -0.008 0.000 1.017 151 D HN 0.540 nan 8.370 nan 0.000 0.512 152 H N -0.970 118.057 119.070 -0.073 0.000 3.123 152 H HA 0.111 4.667 4.556 -0.000 0.000 0.346 152 H C -0.776 174.514 175.328 -0.063 0.000 1.138 152 H CA -0.732 55.278 56.048 -0.064 0.000 1.273 152 H CB 0.955 30.642 29.762 -0.127 0.000 1.926 152 H HN 0.105 nan 8.280 nan 0.000 0.524 153 H N 4.915 123.983 119.070 -0.004 0.000 2.929 153 H HA 0.112 4.668 4.556 -0.000 0.000 0.317 153 H C -1.735 173.545 175.328 -0.079 0.000 1.031 153 H CA -1.556 54.479 56.048 -0.022 0.000 1.466 153 H CB 1.062 30.818 29.762 -0.010 0.000 1.482 153 H HN 0.437 nan 8.280 nan 0.000 0.561 154 P HA -0.145 nan 4.420 nan 0.000 0.218 154 P C -0.327 176.405 177.300 -0.946 0.000 1.148 154 P CA 1.208 63.648 63.100 -1.099 0.000 0.822 154 P CB 0.117 30.876 31.700 -1.567 0.000 0.784 155 F N -1.242 118.302 119.950 -0.677 0.000 2.567 155 F HA 0.124 4.651 4.527 -0.000 0.000 0.352 155 F C 1.445 177.276 175.800 0.052 0.000 1.229 155 F CA -0.522 57.369 58.000 -0.182 0.000 1.228 155 F CB -0.525 38.485 39.000 0.016 0.000 1.568 155 F HN -0.103 nan 8.300 nan 0.000 0.634 156 Y N 2.000 122.298 120.300 -0.003 0.000 2.639 156 Y HA 0.218 4.767 4.550 -0.000 0.000 0.297 156 Y C 1.295 177.228 175.900 0.053 0.000 1.151 156 Y CA 0.692 58.826 58.100 0.056 0.000 1.335 156 Y CB -0.397 38.131 38.460 0.114 0.000 0.994 156 Y HN 0.578 nan 8.280 nan 0.000 0.548 157 G N -0.177 108.685 108.800 0.103 0.000 2.352 157 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.324 157 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.324 157 G C -1.561 173.392 174.900 0.089 0.000 1.249 157 G CA -0.529 44.571 45.100 -0.001 0.000 1.053 157 G HN -0.031 nan 8.290 nan 0.000 0.492 158 I N 1.014 121.620 120.570 0.060 0.000 2.330 158 I HA 0.536 4.706 4.170 -0.000 0.000 0.289 158 I C 0.824 176.966 176.117 0.041 0.000 1.001 158 I CA -0.839 60.501 61.300 0.068 0.000 1.193 158 I CB 0.548 38.587 38.000 0.065 0.000 1.345 158 I HN 0.543 nan 8.210 nan 0.000 0.461 159 V N 8.156 128.110 119.914 0.067 0.000 2.644 159 V HA 0.552 4.672 4.120 -0.000 0.000 0.295 159 V C -0.624 175.476 176.094 0.010 0.000 1.053 159 V CA -0.471 61.858 62.300 0.049 0.000 0.987 159 V CB 2.255 34.172 31.823 0.157 0.000 1.006 159 V HN 0.618 nan 8.190 nan 0.000 0.472 160 L N 5.188 126.406 121.223 -0.008 0.000 2.401 160 L HA 0.691 5.031 4.340 -0.000 0.000 0.266 160 L C -0.831 176.073 176.870 0.057 0.000 0.991 160 L CA 0.081 54.895 54.840 -0.043 0.000 0.818 160 L CB 1.939 43.849 42.059 -0.248 0.000 1.321 160 L HN 0.821 nan 8.230 nan 0.000 0.413 161 Q N 2.362 122.231 119.800 0.115 0.000 2.353 161 Q HA 0.314 4.653 4.340 -0.000 0.000 0.275 161 Q C -1.500 174.610 176.000 0.184 0.000 1.029 161 Q CA -0.670 55.237 55.803 0.173 0.000 0.848 161 Q CB 2.032 30.842 28.738 0.119 0.000 1.390 161 Q HN 0.755 nan 8.270 nan 0.000 0.401 162 E N 1.782 122.064 120.200 0.136 0.000 2.392 162 E HA 0.017 4.367 4.350 -0.000 0.000 0.264 162 E C -1.592 174.965 176.600 -0.071 0.000 1.024 162 E CA -0.026 56.255 56.400 -0.198 0.000 0.903 162 E CB 0.613 30.130 29.700 -0.304 0.000 0.963 162 E HN 0.481 nan 8.360 nan 0.000 0.432 163 Y N 3.024 123.175 120.300 -0.248 0.000 2.328 163 Y HA 0.233 4.783 4.550 -0.000 0.000 0.337 163 Y C -0.551 175.269 175.900 -0.134 0.000 0.966 163 Y CA -0.704 57.311 58.100 -0.141 0.000 1.136 163 Y CB 1.579 39.974 38.460 -0.108 0.000 1.170 163 Y HN 0.370 nan 8.280 nan 0.000 0.470 164 S N 5.287 120.578 115.700 -0.681 0.000 2.416 164 S HA 0.209 4.679 4.470 -0.000 0.000 0.287 164 S C 0.732 174.902 174.600 -0.716 0.000 1.139 164 S CA -0.516 57.369 58.200 -0.525 0.000 1.058 164 S CB 0.419 63.428 63.200 -0.319 0.000 0.967 164 S HN 0.741 nan 8.310 nan 0.000 0.495 165 V N 5.048 124.774 119.914 -0.313 0.000 2.407 165 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 165 V C 2.510 178.595 176.094 -0.016 0.000 1.055 165 V CA 2.214 64.505 62.300 -0.015 0.000 1.049 165 V CB -0.721 31.223 31.823 0.201 0.000 0.662 165 V HN 0.884 nan 8.190 nan 0.000 0.455 166 E N 0.270 120.437 120.200 -0.056 0.000 2.072 166 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 166 E C 2.159 178.732 176.600 -0.045 0.000 0.985 166 E CA 1.365 57.748 56.400 -0.029 0.000 0.801 166 E CB -0.140 29.543 29.700 -0.028 0.000 0.750 166 E HN 0.662 nan 8.360 nan 0.000 0.452 167 Q N -0.037 119.701 119.800 -0.103 0.000 2.425 167 Q HA 0.090 4.429 4.340 -0.000 0.000 0.204 167 Q C -0.335 175.620 176.000 -0.076 0.000 0.933 167 Q CA 0.178 55.930 55.803 -0.084 0.000 0.939 167 Q CB 0.413 29.092 28.738 -0.098 0.000 1.044 167 Q HN 0.075 nan 8.270 nan 0.000 0.513 168 K N 1.250 121.585 120.400 -0.108 0.000 3.096 168 K HA -0.209 4.111 4.320 -0.000 0.000 0.266 168 K C -0.640 175.995 176.600 0.059 0.000 1.043 168 K CA 1.156 57.464 56.287 0.035 0.000 0.758 168 K CB -1.898 30.673 32.500 0.118 0.000 1.260 168 K HN 0.488 nan 8.250 nan 0.000 0.481 169 K N -1.632 118.668 120.400 -0.166 0.000 2.642 169 K HA 0.454 4.773 4.320 -0.000 0.000 0.290 169 K C -0.719 175.811 176.600 -0.117 0.000 1.006 169 K CA -1.175 55.105 56.287 -0.012 0.000 0.869 169 K CB 0.954 33.458 32.500 0.007 0.000 1.499 169 K HN -0.033 nan 8.250 nan 0.000 0.403 170 L N 1.990 123.252 121.223 0.065 0.000 2.397 170 L HA 0.411 4.750 4.340 -0.000 0.000 0.271 170 L C 0.241 177.106 176.870 -0.008 0.000 1.148 170 L CA -0.624 54.249 54.840 0.055 0.000 0.825 170 L CB 1.168 43.272 42.059 0.075 0.000 1.117 170 L HN 0.578 nan 8.230 nan 0.000 0.456 171 V N -0.190 119.711 119.914 -0.022 0.000 3.155 171 V HA 1.019 5.139 4.120 -0.000 0.000 0.313 171 V C 0.415 176.520 176.094 0.019 0.000 1.162 171 V CA 0.008 62.296 62.300 -0.019 0.000 1.048 171 V CB 1.010 32.798 31.823 -0.059 0.000 1.092 171 V HN 0.995 nan 8.190 nan 0.000 0.447 172 G N 0.642 109.455 108.800 0.022 0.000 2.575 172 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.267 172 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.267 172 G C -0.287 174.647 174.900 0.058 0.000 1.264 172 G CA 0.588 45.714 45.100 0.044 0.000 0.935 172 G HN 1.208 nan 8.290 nan 0.000 0.568 173 E N 1.346 121.590 120.200 0.073 0.000 2.202 173 E HA 0.492 4.842 4.350 -0.000 0.000 0.272 173 E C -2.171 174.501 176.600 0.119 0.000 0.951 173 E CA -1.679 54.766 56.400 0.076 0.000 0.813 173 E CB 2.055 31.786 29.700 0.051 0.000 1.151 173 E HN 0.342 nan 8.360 nan 0.000 0.398 174 P HA 0.224 nan 4.420 nan 0.000 0.286 174 P C -1.129 176.233 177.300 0.103 0.000 1.269 174 P CA -0.249 62.922 63.100 0.119 0.000 0.787 174 P CB 1.006 32.770 31.700 0.107 0.000 0.920 175 K N 2.769 123.262 120.400 0.155 0.000 2.371 175 K HA 0.463 4.783 4.320 -0.000 0.000 0.251 175 K C -0.097 176.544 176.600 0.068 0.000 0.934 175 K CA -1.096 55.275 56.287 0.139 0.000 0.798 175 K CB 2.052 34.729 32.500 0.296 0.000 1.204 175 K HN 0.382 nan 8.250 nan 0.000 0.427 176 I N 4.850 125.426 120.570 0.011 0.000 2.452 176 I HA 0.018 4.188 4.170 -0.000 0.000 0.287 176 I C 1.595 177.745 176.117 0.056 0.000 1.079 176 I CA 0.378 61.674 61.300 -0.007 0.000 1.387 176 I CB 0.041 38.005 38.000 -0.060 0.000 1.404 176 I HN 0.698 nan 8.210 nan 0.000 0.522 177 I N 3.386 123.994 120.570 0.063 0.000 3.854 177 I HA 0.300 4.470 4.170 -0.000 0.000 0.312 177 I C -0.100 176.165 176.117 0.247 0.000 1.273 177 I CA 0.442 61.828 61.300 0.142 0.000 1.298 177 I CB 0.573 38.617 38.000 0.073 0.000 1.071 177 I HN 0.288 nan 8.210 nan 0.000 0.428 178 F N 1.663 121.575 119.950 -0.064 0.000 2.604 178 F HA 0.459 4.986 4.527 -0.000 0.000 0.316 178 F C 0.188 175.935 175.800 -0.088 0.000 1.136 178 F CA -1.140 56.811 58.000 -0.083 0.000 0.989 178 F CB 1.624 40.504 39.000 -0.200 0.000 1.258 178 F HN -0.277 nan 8.300 nan 0.000 0.451 179 K N 3.046 123.086 120.400 -0.599 0.000 2.284 179 K HA 0.485 4.805 4.320 -0.000 0.000 0.198 179 K C 0.790 176.931 176.600 -0.765 0.000 1.048 179 K CA 0.833 56.787 56.287 -0.555 0.000 0.987 179 K CB -0.113 32.147 32.500 -0.400 0.000 0.800 179 K HN 0.982 nan 8.250 nan 0.000 0.486 180 G N 0.913 108.795 108.800 -1.529 0.000 2.525 180 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.685 180 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.685 180 G C -0.111 174.468 174.900 -0.535 0.000 1.290 180 G CA -0.343 44.108 45.100 -1.081 0.000 0.915 180 G HN 0.205 nan 8.290 nan 0.000 0.548 181 T N -2.836 111.579 114.554 -0.232 0.000 2.880 181 T HA 0.547 4.897 4.350 -0.000 0.000 0.279 181 T C 1.403 175.997 174.700 -0.177 0.000 0.990 181 T CA 0.888 62.904 62.100 -0.140 0.000 0.938 181 T CB 1.296 70.129 68.868 -0.058 0.000 1.206 181 T HN 1.168 nan 8.240 nan 0.000 0.573 182 D N -0.168 120.138 120.400 -0.155 0.000 2.378 182 D HA -0.071 4.569 4.640 -0.000 0.000 0.222 182 D C 1.722 177.902 176.300 -0.201 0.000 0.980 182 D CA 0.218 54.113 54.000 -0.176 0.000 0.907 182 D CB -0.487 40.224 40.800 -0.148 0.000 0.899 182 D HN 0.242 nan 8.370 nan 0.000 0.527 183 L N 0.325 121.436 121.223 -0.187 0.000 2.141 183 L HA -0.019 4.321 4.340 -0.000 0.000 0.209 183 L C 1.182 177.923 176.870 -0.214 0.000 1.094 183 L CA 0.866 55.588 54.840 -0.196 0.000 0.763 183 L CB -0.682 41.283 42.059 -0.157 0.000 0.908 183 L HN 0.075 nan 8.230 nan 0.000 0.437 184 R N -1.395 118.968 120.500 -0.228 0.000 3.797 184 R HA -0.269 4.071 4.340 -0.000 0.000 0.502 184 R C 0.858 177.055 176.300 -0.172 0.000 0.241 184 R CA 0.918 56.853 56.100 -0.275 0.000 1.568 184 R CB -1.697 28.235 30.300 -0.614 0.000 1.016 184 R HN 0.239 nan 8.270 nan 0.000 0.558 185 I N -0.843 119.700 120.570 -0.046 0.000 6.679 185 I HA -0.258 3.912 4.170 -0.000 0.000 0.126 185 I C 0.031 175.879 176.117 -0.449 0.000 1.811 185 I CA 1.311 62.235 61.300 -0.628 0.000 2.117 185 I CB -1.841 35.812 38.000 -0.579 0.000 3.492 185 I HN 0.470 nan 8.210 nan 0.000 0.193 186 T N 1.775 116.320 114.554 -0.015 0.000 2.738 186 T HA 0.523 4.873 4.350 -0.000 0.000 0.293 186 T C 0.795 175.693 174.700 0.331 0.000 0.913 186 T CA 0.308 62.482 62.100 0.123 0.000 1.103 186 T CB 1.333 70.239 68.868 0.063 0.000 0.880 186 T HN 0.673 nan 8.240 nan 0.000 0.526 187 G N 0.916 109.874 108.800 0.263 0.000 3.085 187 G HA2 0.586 4.546 3.960 -0.000 0.000 0.264 187 G HA3 0.586 4.546 3.960 -0.000 0.000 0.264 187 G C 0.564 175.515 174.900 0.085 0.000 1.206 187 G CA -0.160 45.116 45.100 0.293 0.000 0.809 187 G HN 1.021 nan 8.290 nan 0.000 0.592 188 G N 0.884 109.706 108.800 0.038 0.000 2.421 188 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.300 188 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.300 188 G C -1.752 172.873 174.900 -0.458 0.000 0.974 188 G CA 0.435 45.317 45.100 -0.363 0.000 1.062 188 G HN 0.574 nan 8.290 nan 0.000 0.514 189 P HA 0.273 nan 4.420 nan 0.000 0.276 189 P C -0.372 176.609 177.300 -0.532 0.000 1.235 189 P CA 0.241 63.150 63.100 -0.318 0.000 0.772 189 P CB 1.033 32.627 31.700 -0.178 0.000 0.871 190 H N 2.119 121.138 119.070 -0.086 0.000 2.717 190 H HA 0.460 5.016 4.556 -0.000 0.000 0.366 190 H C -0.174 174.969 175.328 -0.309 0.000 1.132 190 H CA -0.667 55.272 56.048 -0.182 0.000 1.180 190 H CB 1.686 31.450 29.762 0.003 0.000 1.678 190 H HN 0.312 nan 8.280 nan 0.000 0.537 191 L N 2.903 123.889 121.223 -0.396 0.000 2.334 191 L HA 0.439 4.779 4.340 -0.000 0.000 0.276 191 L C -1.065 175.416 176.870 -0.648 0.000 1.014 191 L CA -0.785 53.735 54.840 -0.534 0.000 0.815 191 L CB 1.125 42.637 42.059 -0.910 0.000 1.268 191 L HN 0.491 nan 8.230 nan 0.000 0.428 192 Y N 1.069 121.451 120.300 0.137 0.000 2.421 192 Y HA 0.358 4.907 4.550 -0.000 0.000 0.339 192 Y C -0.388 175.752 175.900 0.400 0.000 0.996 192 Y CA -1.082 57.254 58.100 0.393 0.000 1.046 192 Y CB 1.843 40.559 38.460 0.426 0.000 1.226 192 Y HN 0.328 nan 8.280 nan 0.000 0.445 193 K N 4.086 124.847 120.400 0.602 0.000 2.267 193 K HA 0.647 4.967 4.320 -0.000 0.000 0.282 193 K C -1.642 175.147 176.600 0.315 0.000 1.078 193 K CA 0.127 56.612 56.287 0.330 0.000 0.903 193 K CB -0.020 32.641 32.500 0.268 0.000 1.111 193 K HN 0.671 nan 8.250 nan 0.000 0.475 194 I N 4.895 125.649 120.570 0.305 0.000 2.499 194 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 194 I C 0.150 176.335 176.117 0.114 0.000 1.048 194 I CA -0.886 60.513 61.300 0.166 0.000 1.062 194 I CB 1.829 39.799 38.000 -0.051 0.000 1.238 194 I HN 0.886 nan 8.210 nan 0.000 0.426 195 N N 3.357 122.046 118.700 -0.020 0.000 1.241 195 N HA -0.266 4.474 4.740 -0.000 0.000 0.135 195 N C 1.249 176.700 175.510 -0.097 0.000 0.723 195 N CA 1.754 54.771 53.050 -0.055 0.000 0.950 195 N CB -0.996 37.454 38.487 -0.060 0.000 1.215 195 N HN 0.871 nan 8.380 nan 0.000 0.520 196 G N -1.733 106.951 108.800 -0.193 0.000 2.939 196 G HA2 0.243 4.202 3.960 -0.000 0.000 0.210 196 G HA3 0.243 4.202 3.960 -0.000 0.000 0.210 196 G C -0.612 173.941 174.900 -0.579 0.000 1.160 196 G CA 0.341 45.179 45.100 -0.436 0.000 0.770 196 G HN 0.401 nan 8.290 nan 0.000 0.543 197 Y N -1.234 118.925 120.300 -0.233 0.000 2.509 197 Y HA 0.566 5.116 4.550 -0.000 0.000 0.341 197 Y C -0.719 174.965 175.900 -0.360 0.000 1.038 197 Y CA -1.568 56.305 58.100 -0.379 0.000 1.089 197 Y CB 1.282 39.323 38.460 -0.698 0.000 1.241 197 Y HN -0.031 nan 8.280 nan 0.000 0.468 198 Y N 1.392 121.663 120.300 -0.047 0.000 2.404 198 Y HA 0.255 4.805 4.550 -0.000 0.000 0.344 198 Y C -0.861 175.035 175.900 -0.007 0.000 0.995 198 Y CA -0.637 57.469 58.100 0.010 0.000 1.201 198 Y CB 0.038 38.468 38.460 -0.049 0.000 1.151 198 Y HN 0.426 nan 8.280 nan 0.000 0.517 199 Y N 3.893 124.385 120.300 0.319 0.000 2.327 199 Y HA 0.359 4.908 4.550 -0.000 0.000 0.336 199 Y C -0.346 175.685 175.900 0.219 0.000 1.035 199 Y CA -0.835 57.436 58.100 0.286 0.000 1.165 199 Y CB 1.007 39.650 38.460 0.304 0.000 1.181 199 Y HN 0.443 nan 8.280 nan 0.000 0.494 200 L N 5.851 127.154 121.223 0.133 0.000 2.280 200 L HA 0.529 4.869 4.340 -0.000 0.000 0.287 200 L C -1.478 175.344 176.870 -0.080 0.000 1.023 200 L CA -0.736 53.997 54.840 -0.178 0.000 0.819 200 L CB 0.777 42.337 42.059 -0.830 0.000 1.212 200 L HN 0.606 nan 8.230 nan 0.000 0.420 201 L N 5.611 126.887 121.223 0.088 0.000 2.275 201 L HA 0.770 5.110 4.340 -0.000 0.000 0.288 201 L C -0.070 176.804 176.870 0.007 0.000 1.046 201 L CA 0.363 55.275 54.840 0.121 0.000 0.805 201 L CB 1.460 43.725 42.059 0.344 0.000 1.193 201 L HN 0.861 nan 8.230 nan 0.000 0.426 202 T N 2.197 116.744 114.554 -0.012 0.000 2.916 202 T HA 0.886 5.235 4.350 -0.000 0.000 0.292 202 T C -0.376 174.305 174.700 -0.031 0.000 1.055 202 T CA -0.561 61.526 62.100 -0.021 0.000 1.009 202 T CB 1.549 70.474 68.868 0.095 0.000 1.118 202 T HN 0.841 nan 8.240 nan 0.000 0.497 203 A N 1.413 124.197 122.820 -0.060 0.000 2.301 203 A HA 0.699 5.019 4.320 -0.000 0.000 0.298 203 A C 0.007 177.629 177.584 0.063 0.000 1.185 203 A CA -0.621 51.410 52.037 -0.010 0.000 0.830 203 A CB 0.262 19.296 19.000 0.057 0.000 1.112 203 A HN 0.863 nan 8.150 nan 0.000 0.508 204 E N 0.297 120.527 120.200 0.049 0.000 2.392 204 E HA 0.573 4.923 4.350 -0.000 0.000 0.269 204 E C 0.497 177.133 176.600 0.060 0.000 0.924 204 E CA -0.385 56.029 56.400 0.024 0.000 0.784 204 E CB 1.888 31.579 29.700 -0.016 0.000 1.292 204 E HN 1.356 nan 8.360 nan 0.000 0.447 205 G N 0.594 109.380 108.800 -0.024 0.000 2.176 205 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.253 205 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.253 205 G C 0.569 175.472 174.900 0.004 0.000 0.979 205 G CA 0.176 45.258 45.100 -0.030 0.000 0.641 205 G HN 1.282 nan 8.290 nan 0.000 0.530 206 G N -1.876 106.933 108.800 0.016 0.000 2.755 206 G HA2 0.201 4.161 3.960 -0.000 0.000 0.686 206 G HA3 0.201 4.161 3.960 -0.000 0.000 0.686 206 G C 0.436 175.213 174.900 -0.205 0.000 1.427 206 G CA 0.744 45.820 45.100 -0.040 0.000 0.873 206 G HN 1.620 nan 8.290 nan 0.000 0.580 207 T N 0.837 115.180 114.554 -0.352 0.000 3.361 207 T HA 0.192 4.541 4.350 -0.000 0.000 0.251 207 T C 1.611 176.078 174.700 -0.387 0.000 1.131 207 T CA 1.673 63.331 62.100 -0.736 0.000 1.001 207 T CB -0.389 68.239 68.868 -0.400 0.000 1.003 207 T HN 0.598 nan 8.240 nan 0.000 0.558 208 R N -0.854 119.508 120.500 -0.230 0.000 2.641 208 R HA 0.336 4.676 4.340 -0.000 0.000 0.197 208 R C 0.865 177.028 176.300 -0.228 0.000 1.408 208 R CA -0.514 55.427 56.100 -0.266 0.000 1.040 208 R CB -0.179 30.048 30.300 -0.120 0.000 2.279 208 R HN 0.165 nan 8.270 nan 0.000 0.520 209 Y N 0.714 121.060 120.300 0.077 0.000 2.561 209 Y HA 0.038 4.588 4.550 -0.000 0.000 0.291 209 Y C 1.120 177.185 175.900 0.274 0.000 1.141 209 Y CA 0.882 59.072 58.100 0.150 0.000 1.303 209 Y CB -0.370 38.146 38.460 0.093 0.000 1.015 209 Y HN 0.440 nan 8.280 nan 0.000 0.547 210 N N -1.481 117.388 118.700 0.282 0.000 2.322 210 N HA -0.036 4.704 4.740 -0.000 0.000 0.194 210 N C 0.079 175.682 175.510 0.155 0.000 1.126 210 N CA -0.124 53.011 53.050 0.142 0.000 0.845 210 N CB -0.004 38.435 38.487 -0.079 0.000 0.976 210 N HN 0.381 nan 8.380 nan 0.000 0.475 211 H N 1.014 120.137 119.070 0.088 0.000 2.948 211 H HA 0.252 4.808 4.556 -0.000 0.000 0.351 211 H C -0.352 175.019 175.328 0.072 0.000 1.079 211 H CA -0.198 55.891 56.048 0.068 0.000 1.407 211 H CB 0.573 30.385 29.762 0.083 0.000 1.373 211 H HN 0.174 nan 8.280 nan 0.000 0.605 212 A N 2.567 125.357 122.820 -0.051 0.000 2.612 212 A HA 0.609 4.929 4.320 -0.000 0.000 0.293 212 A C -1.463 176.005 177.584 -0.193 0.000 1.075 212 A CA -0.152 51.818 52.037 -0.112 0.000 0.680 212 A CB 1.260 20.232 19.000 -0.046 0.000 1.279 212 A HN 0.792 nan 8.150 nan 0.000 0.411 213 A N 0.829 123.554 122.820 -0.158 0.000 2.276 213 A HA 0.729 5.048 4.320 -0.000 0.000 0.316 213 A C 0.059 177.583 177.584 -0.100 0.000 1.229 213 A CA -0.200 51.769 52.037 -0.114 0.000 0.851 213 A CB 0.278 19.222 19.000 -0.094 0.000 1.165 213 A HN 0.833 nan 8.150 nan 0.000 0.513 214 T N 2.456 116.977 114.554 -0.055 0.000 2.895 214 T HA 0.617 4.966 4.350 -0.000 0.000 0.283 214 T C -0.563 174.122 174.700 -0.026 0.000 1.014 214 T CA -0.074 62.000 62.100 -0.043 0.000 1.037 214 T CB 0.870 69.761 68.868 0.038 0.000 1.006 214 T HN 0.580 nan 8.240 nan 0.000 0.468 215 I N 1.898 122.452 120.570 -0.026 0.000 2.619 215 I HA 0.744 4.914 4.170 -0.000 0.000 0.292 215 I C -1.096 175.108 176.117 0.146 0.000 1.100 215 I CA -0.632 60.712 61.300 0.073 0.000 1.043 215 I CB 1.356 39.450 38.000 0.156 0.000 1.239 215 I HN 0.768 nan 8.210 nan 0.000 0.420 216 A N 6.910 129.807 122.820 0.129 0.000 2.527 216 A HA 0.932 5.252 4.320 -0.000 0.000 0.293 216 A C -1.257 176.499 177.584 0.286 0.000 1.117 216 A CA -0.754 51.402 52.037 0.199 0.000 0.723 216 A CB 1.836 20.700 19.000 -0.227 0.000 1.313 216 A HN 0.790 nan 8.150 nan 0.000 0.411 217 R N -0.291 120.344 120.500 0.225 0.000 2.771 217 R HA 0.878 5.218 4.340 -0.000 0.000 0.274 217 R C -1.039 175.149 176.300 -0.187 0.000 0.987 217 R CA -0.363 55.615 56.100 -0.204 0.000 0.908 217 R CB 1.887 31.503 30.300 -1.139 0.000 1.213 217 R HN 0.822 nan 8.270 nan 0.000 0.468 218 S N -0.556 114.955 115.700 -0.315 0.000 2.550 218 S HA 0.220 4.690 4.470 -0.000 0.000 0.270 218 S C 0.369 174.922 174.600 -0.078 0.000 1.145 218 S CA -0.203 57.793 58.200 -0.340 0.000 0.852 218 S CB 1.803 64.423 63.200 -0.968 0.000 1.119 218 S HN 0.745 nan 8.310 nan 0.000 0.465 219 T N -0.025 114.503 114.554 -0.044 0.000 3.055 219 T HA 0.168 4.517 4.350 -0.000 0.000 0.265 219 T C 0.849 175.583 174.700 0.057 0.000 1.111 219 T CA 0.607 62.667 62.100 -0.067 0.000 1.118 219 T CB -0.091 68.698 68.868 -0.131 0.000 0.909 219 T HN 0.397 nan 8.240 nan 0.000 0.501 220 S N 0.681 116.361 115.700 -0.034 0.000 2.437 220 S HA 0.461 4.931 4.470 -0.000 0.000 0.305 220 S C 0.781 175.243 174.600 -0.230 0.000 1.109 220 S CA -0.954 57.220 58.200 -0.045 0.000 1.099 220 S CB 1.134 64.299 63.200 -0.058 0.000 1.004 220 S HN 0.280 nan 8.310 nan 0.000 0.475 221 L N 6.014 126.988 121.223 -0.414 0.000 2.129 221 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 221 L C 0.889 177.511 176.870 -0.412 0.000 1.087 221 L CA 2.102 56.436 54.840 -0.843 0.000 0.757 221 L CB -0.620 40.831 42.059 -1.014 0.000 0.896 221 L HN 0.876 nan 8.230 nan 0.000 0.434 222 Y N -0.147 120.021 120.300 -0.219 0.000 2.461 222 Y HA 0.442 4.992 4.550 -0.000 0.000 0.277 222 Y C 1.551 177.448 175.900 -0.005 0.000 1.182 222 Y CA 0.230 58.293 58.100 -0.062 0.000 1.276 222 Y CB -0.341 38.082 38.460 -0.062 0.000 1.087 222 Y HN 0.332 nan 8.280 nan 0.000 0.519 223 G N 0.612 109.362 108.800 -0.085 0.000 2.693 223 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.226 223 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.226 223 G C -2.627 172.231 174.900 -0.069 0.000 1.354 223 G CA -1.207 43.777 45.100 -0.194 0.000 0.873 223 G HN 0.083 nan 8.290 nan 0.000 0.562 224 P HA 0.447 nan 4.420 nan 0.000 0.271 224 P C -0.788 176.507 177.300 -0.007 0.000 1.216 224 P CA 0.033 63.170 63.100 0.062 0.000 0.776 224 P CB 0.217 31.959 31.700 0.071 0.000 0.881 225 Y N 0.945 121.289 120.300 0.074 0.000 2.341 225 Y HA 0.165 4.714 4.550 -0.000 0.000 0.340 225 Y C 1.256 177.203 175.900 0.077 0.000 0.997 225 Y CA -0.378 57.732 58.100 0.017 0.000 1.149 225 Y CB 0.706 39.083 38.460 -0.138 0.000 1.171 225 Y HN 0.395 nan 8.280 nan 0.000 0.494 226 E N 1.977 122.291 120.200 0.191 0.000 2.313 226 E HA 0.433 4.783 4.350 -0.000 0.000 0.276 226 E C -0.982 175.785 176.600 0.280 0.000 1.031 226 E CA -0.723 55.804 56.400 0.211 0.000 0.857 226 E CB 1.160 30.971 29.700 0.185 0.000 1.040 226 E HN 0.261 nan 8.360 nan 0.000 0.408 227 V N 3.146 123.158 119.914 0.165 0.000 2.732 227 V HA -0.042 4.078 4.120 -0.000 0.000 0.297 227 V C 0.798 176.705 176.094 -0.312 0.000 1.060 227 V CA -0.586 61.738 62.300 0.039 0.000 1.038 227 V CB 0.806 32.663 31.823 0.057 0.000 1.003 227 V HN 0.749 nan 8.190 nan 0.000 0.481 228 H N 7.638 126.200 119.070 -0.847 0.000 3.214 228 H HA -0.026 4.530 4.556 -0.000 0.000 0.291 228 H C -1.439 173.355 175.328 -0.890 0.000 0.926 228 H CA -1.050 54.058 56.048 -1.566 0.000 1.409 228 H CB 1.210 30.380 29.762 -0.987 0.000 1.406 228 H HN 0.414 nan 8.280 nan 0.000 0.561 229 P HA -0.119 nan 4.420 nan 0.000 0.219 229 P C 0.156 177.393 177.300 -0.106 0.000 1.146 229 P CA 1.214 64.125 63.100 -0.315 0.000 0.808 229 P CB 0.513 32.041 31.700 -0.286 0.000 0.779 230 D N -1.162 119.271 120.400 0.054 0.000 2.538 230 D HA 0.076 4.715 4.640 -0.000 0.000 0.231 230 D C 0.269 176.458 176.300 -0.186 0.000 1.229 230 D CA -0.444 53.567 54.000 0.017 0.000 0.828 230 D CB -0.511 40.394 40.800 0.174 0.000 1.035 230 D HN 0.085 nan 8.370 nan 0.000 0.495 231 N N 2.377 120.933 118.700 -0.240 0.000 2.292 231 N HA 0.002 4.742 4.740 -0.000 0.000 0.242 231 N C -2.357 173.045 175.510 -0.181 0.000 1.243 231 N CA -0.326 52.542 53.050 -0.303 0.000 0.851 231 N CB 0.515 38.883 38.487 -0.198 0.000 1.093 231 N HN -0.113 nan 8.380 nan 0.000 0.450 232 P HA -0.013 nan 4.420 nan 0.000 0.269 232 P C 0.682 177.783 177.300 -0.332 0.000 1.209 232 P CA -0.382 62.597 63.100 -0.201 0.000 0.776 232 P CB 0.554 32.191 31.700 -0.105 0.000 0.876 233 L N 3.030 124.018 121.223 -0.393 0.000 2.042 233 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 233 L C 0.475 177.192 176.870 -0.256 0.000 1.076 233 L CA 2.029 56.611 54.840 -0.429 0.000 0.749 233 L CB -0.531 41.335 42.059 -0.322 0.000 0.893 233 L HN 0.343 nan 8.230 nan 0.000 0.432 234 L N -1.568 119.546 121.223 -0.182 0.000 2.482 234 L HA 0.600 4.939 4.340 -0.000 0.000 0.263 234 L C -0.975 175.845 176.870 -0.084 0.000 0.957 234 L CA 0.188 54.941 54.840 -0.144 0.000 0.836 234 L CB 1.980 43.911 42.059 -0.214 0.000 1.324 234 L HN -0.021 nan 8.230 nan 0.000 0.406 235 T N 1.370 115.933 114.554 0.014 0.000 3.047 235 T HA 0.366 4.715 4.350 -0.000 0.000 0.340 235 T C 0.002 174.856 174.700 0.256 0.000 1.421 235 T CA 0.032 62.199 62.100 0.113 0.000 1.090 235 T CB 1.436 70.390 68.868 0.142 0.000 1.292 235 T HN 0.560 nan 8.240 nan 0.000 0.480 236 S N 1.838 117.699 115.700 0.270 0.000 2.548 236 S HA 0.087 4.557 4.470 -0.000 0.000 0.215 236 S C 1.276 176.054 174.600 0.297 0.000 0.976 236 S CA -0.192 58.214 58.200 0.343 0.000 0.908 236 S CB -0.198 63.167 63.200 0.274 0.000 0.781 236 S HN 0.763 nan 8.310 nan 0.000 0.519 237 W N 4.201 125.561 121.300 0.101 0.000 2.318 237 W HA -0.124 4.536 4.660 -0.000 0.000 0.313 237 W C -1.657 174.790 176.519 -0.120 0.000 1.221 237 W CA 1.563 58.917 57.345 0.016 0.000 1.266 237 W CB -1.128 28.334 29.460 0.003 0.000 1.150 237 W HN 0.203 nan 8.180 nan 0.000 0.496 238 P HA -0.016 nan 4.420 nan 0.000 0.253 238 P C -1.039 175.708 177.300 -0.922 0.000 1.260 238 P CA 0.990 63.513 63.100 -0.960 0.000 0.800 238 P CB -0.409 30.790 31.700 -0.835 0.000 1.162 239 Y N 0.340 120.524 120.300 -0.194 0.000 2.747 239 Y HA 0.298 4.848 4.550 -0.000 0.000 0.362 239 Y C -1.456 174.376 175.900 -0.113 0.000 1.026 239 Y CA -2.816 55.214 58.100 -0.117 0.000 1.135 239 Y CB 0.567 39.000 38.460 -0.045 0.000 1.175 239 Y HN 0.002 nan 8.280 nan 0.000 0.643 240 P HA -0.084 nan 4.420 nan 0.000 0.226 240 P C 0.790 178.068 177.300 -0.038 0.000 1.153 240 P CA 1.122 64.158 63.100 -0.107 0.000 0.777 240 P CB 0.433 32.019 31.700 -0.189 0.000 0.794 241 R N -1.186 119.314 120.500 0.001 0.000 2.317 241 R HA 0.114 4.454 4.340 -0.000 0.000 0.208 241 R C 0.991 177.313 176.300 0.037 0.000 0.914 241 R CA -0.307 55.800 56.100 0.011 0.000 1.060 241 R CB -0.288 30.015 30.300 0.004 0.000 1.015 241 R HN 0.096 nan 8.270 nan 0.000 0.498 242 N N 2.354 121.095 118.700 0.068 0.000 2.468 242 N HA -0.008 4.732 4.740 -0.000 0.000 0.265 242 N C -1.597 173.964 175.510 0.085 0.000 1.199 242 N CA -1.321 51.773 53.050 0.073 0.000 0.928 242 N CB 1.282 39.827 38.487 0.097 0.000 1.059 242 N HN -0.064 nan 8.380 nan 0.000 0.467 243 P HA -0.088 nan 4.420 nan 0.000 0.219 243 P C 0.033 177.416 177.300 0.139 0.000 1.146 243 P CA 1.115 64.273 63.100 0.096 0.000 0.808 243 P CB 0.355 32.107 31.700 0.086 0.000 0.779 244 L N 0.430 121.737 121.223 0.141 0.000 2.262 244 L HA 0.288 4.628 4.340 -0.000 0.000 0.288 244 L C 0.697 177.688 176.870 0.202 0.000 1.035 244 L CA -0.573 54.373 54.840 0.177 0.000 0.820 244 L CB 0.949 43.116 42.059 0.179 0.000 1.204 244 L HN -0.090 nan 8.230 nan 0.000 0.424 245 Q N 2.281 122.222 119.800 0.235 0.000 2.194 245 Q HA 0.370 4.709 4.340 -0.000 0.000 0.245 245 Q C 0.113 176.255 176.000 0.237 0.000 0.993 245 Q CA -0.708 55.262 55.803 0.278 0.000 0.930 245 Q CB 1.460 30.449 28.738 0.419 0.000 1.238 245 Q HN 0.379 nan 8.270 nan 0.000 0.486 246 K N -1.378 119.159 120.400 0.229 0.000 3.160 246 K HA -0.200 4.120 4.320 -0.000 0.000 0.280 246 K C -0.400 176.413 176.600 0.355 0.000 1.154 246 K CA 0.627 57.038 56.287 0.207 0.000 0.822 246 K CB -1.980 30.533 32.500 0.021 0.000 1.239 246 K HN 0.658 nan 8.250 nan 0.000 0.489 247 A N 1.080 124.052 122.820 0.253 0.000 2.484 247 A HA 0.525 4.845 4.320 -0.000 0.000 0.268 247 A C 0.960 178.505 177.584 -0.065 0.000 1.114 247 A CA 1.007 53.132 52.037 0.147 0.000 0.780 247 A CB 0.349 19.319 19.000 -0.050 0.000 1.061 247 A HN 0.638 nan 8.150 nan 0.000 0.505 248 G N 0.550 109.268 108.800 -0.137 0.000 2.325 248 G HA2 0.434 4.393 3.960 -0.000 0.000 0.295 248 G HA3 0.434 4.393 3.960 -0.000 0.000 0.295 248 G C -0.294 174.519 174.900 -0.145 0.000 1.274 248 G CA 0.012 44.762 45.100 -0.583 0.000 0.857 248 G HN 1.558 nan 8.290 nan 0.000 0.499 249 H N -0.682 118.274 119.070 -0.191 0.000 2.499 249 H HA 0.027 4.583 4.556 -0.000 0.000 0.321 249 H C 0.536 175.999 175.328 0.224 0.000 1.026 249 H CA 1.028 57.176 56.048 0.167 0.000 1.077 249 H CB -0.922 29.037 29.762 0.328 0.000 1.612 249 H HN 1.350 nan 8.280 nan 0.000 0.374 250 A N 2.156 125.130 122.820 0.257 0.000 2.282 250 A HA 0.744 5.064 4.320 -0.000 0.000 0.319 250 A C 0.060 177.880 177.584 0.393 0.000 1.121 250 A CA 0.081 52.300 52.037 0.303 0.000 0.836 250 A CB 1.212 20.330 19.000 0.198 0.000 1.146 250 A HN 0.789 nan 8.150 nan 0.000 0.494 251 S N -0.018 115.890 115.700 0.348 0.000 2.570 251 S HA 0.757 5.227 4.470 -0.000 0.000 0.286 251 S C -0.760 174.009 174.600 0.282 0.000 1.099 251 S CA -0.561 57.847 58.200 0.348 0.000 0.913 251 S CB 0.960 64.293 63.200 0.222 0.000 1.085 251 S HN 0.542 nan 8.310 nan 0.000 0.480 252 I N 1.710 122.422 120.570 0.237 0.000 2.392 252 I HA 0.577 4.746 4.170 -0.000 0.000 0.295 252 I C -0.626 175.639 176.117 0.246 0.000 0.985 252 I CA -1.000 60.363 61.300 0.105 0.000 1.221 252 I CB 1.813 39.640 38.000 -0.288 0.000 1.366 252 I HN 0.506 nan 8.210 nan 0.000 0.467 253 V N 5.954 126.061 119.914 0.322 0.000 2.540 253 V HA 0.384 4.504 4.120 -0.000 0.000 0.302 253 V C -1.067 175.186 176.094 0.265 0.000 1.035 253 V CA -0.462 62.044 62.300 0.343 0.000 0.873 253 V CB 1.698 33.750 31.823 0.381 0.000 0.992 253 V HN 0.699 nan 8.190 nan 0.000 0.428 254 H N 4.405 123.425 119.070 -0.084 0.000 2.581 254 H HA 0.579 5.135 4.556 -0.000 0.000 0.308 254 H C 0.293 175.503 175.328 -0.197 0.000 1.040 254 H CA 0.012 55.682 56.048 -0.630 0.000 1.231 254 H CB 1.076 30.197 29.762 -1.068 0.000 1.396 254 H HN 0.868 nan 8.280 nan 0.000 0.467 255 T N 1.292 115.771 114.554 -0.125 0.000 2.788 255 T HA -0.003 4.347 4.350 -0.000 0.000 0.287 255 T C 1.633 176.229 174.700 -0.173 0.000 1.007 255 T CA -0.212 61.909 62.100 0.035 0.000 1.005 255 T CB 0.459 69.345 68.868 0.030 0.000 1.012 255 T HN 0.836 nan 8.240 nan 0.000 0.530 256 H N -0.572 118.501 119.070 0.006 0.000 2.559 256 H HA 0.014 4.570 4.556 -0.000 0.000 0.273 256 H C 1.276 176.572 175.328 -0.053 0.000 1.000 256 H CA 1.220 57.225 56.048 -0.072 0.000 1.195 256 H CB -0.907 28.841 29.762 -0.024 0.000 1.368 256 H HN 0.767 nan 8.280 nan 0.000 0.592 257 T N -2.290 111.987 114.554 -0.462 0.000 3.122 257 T HA 0.053 4.403 4.350 -0.000 0.000 0.250 257 T C 0.285 174.917 174.700 -0.113 0.000 1.067 257 T CA 0.274 62.200 62.100 -0.289 0.000 0.966 257 T CB -0.259 68.425 68.868 -0.306 0.000 1.002 257 T HN 0.285 nan 8.240 nan 0.000 0.542 258 D N 0.853 121.172 120.400 -0.134 0.000 2.800 258 D HA -0.145 4.494 4.640 -0.000 0.000 0.232 258 D C -0.385 175.977 176.300 0.103 0.000 1.137 258 D CA 0.765 54.779 54.000 0.023 0.000 0.718 258 D CB -1.379 39.481 40.800 0.101 0.000 1.084 258 D HN 0.791 nan 8.370 nan 0.000 0.432 259 E N -1.040 119.170 120.200 0.017 0.000 2.299 259 E HA 0.707 5.057 4.350 -0.000 0.000 0.260 259 E C -0.490 176.072 176.600 -0.063 0.000 0.944 259 E CA -0.873 55.570 56.400 0.072 0.000 0.815 259 E CB 0.986 30.762 29.700 0.127 0.000 1.252 259 E HN 0.134 nan 8.360 nan 0.000 0.418 260 W N 0.835 122.081 121.300 -0.090 0.000 2.739 260 W HA 0.504 5.164 4.660 -0.000 0.000 0.331 260 W C -1.109 175.144 176.519 -0.444 0.000 1.049 260 W CA -0.346 56.978 57.345 -0.035 0.000 1.234 260 W CB 0.876 30.395 29.460 0.098 0.000 1.404 260 W HN 0.351 nan 8.180 nan 0.000 0.477 261 F N 2.412 122.541 119.950 0.299 0.000 2.620 261 F HA 0.698 5.225 4.527 -0.000 0.000 0.320 261 F C -0.841 175.071 175.800 0.187 0.000 1.069 261 F CA -1.407 56.709 58.000 0.193 0.000 0.953 261 F CB 1.612 40.687 39.000 0.125 0.000 1.322 261 F HN -0.014 nan 8.300 nan 0.000 0.479 262 L N 2.873 124.304 121.223 0.347 0.000 2.406 262 L HA 0.686 5.026 4.340 -0.000 0.000 0.270 262 L C -0.959 176.081 176.870 0.284 0.000 0.982 262 L CA -0.722 54.272 54.840 0.257 0.000 0.843 262 L CB 1.468 43.622 42.059 0.157 0.000 1.225 262 L HN 0.459 nan 8.230 nan 0.000 0.412 263 V N 2.050 122.108 119.914 0.240 0.000 2.732 263 V HA 0.809 4.929 4.120 -0.000 0.000 0.297 263 V C -0.413 175.822 176.094 0.233 0.000 1.060 263 V CA 0.150 62.544 62.300 0.158 0.000 1.038 263 V CB 1.064 32.919 31.823 0.053 0.000 1.003 263 V HN 1.073 nan 8.190 nan 0.000 0.481 264 H N 2.438 121.559 119.070 0.085 0.000 3.014 264 H HA 0.743 5.299 4.556 -0.000 0.000 0.337 264 H C -0.911 174.477 175.328 0.100 0.000 1.320 264 H CA -1.083 55.032 56.048 0.111 0.000 1.128 264 H CB 1.188 31.000 29.762 0.084 0.000 1.862 264 H HN 0.928 nan 8.280 nan 0.000 0.536 265 L N -0.654 120.700 121.223 0.219 0.000 2.421 265 L HA 0.850 5.190 4.340 -0.000 0.000 0.263 265 L C 0.103 177.124 176.870 0.252 0.000 1.122 265 L CA -0.204 54.729 54.840 0.154 0.000 0.804 265 L CB 1.441 43.627 42.059 0.211 0.000 1.150 265 L HN 0.942 nan 8.230 nan 0.000 0.457 266 T N 0.161 114.809 114.554 0.155 0.000 2.889 266 T HA 0.752 5.101 4.350 -0.000 0.000 0.315 266 T C -0.685 174.105 174.700 0.151 0.000 1.291 266 T CA -0.092 62.128 62.100 0.200 0.000 1.028 266 T CB 1.259 70.248 68.868 0.201 0.000 1.235 266 T HN 1.182 nan 8.240 nan 0.000 0.491 267 G N 2.152 111.046 108.800 0.157 0.000 2.470 267 G HA2 0.629 4.589 3.960 -0.000 0.000 0.320 267 G HA3 0.629 4.589 3.960 -0.000 0.000 0.320 267 G C -1.068 173.966 174.900 0.223 0.000 1.245 267 G CA -0.775 44.418 45.100 0.156 0.000 0.935 267 G HN 0.711 nan 8.290 nan 0.000 0.476 268 R N 3.069 123.736 120.500 0.279 0.000 2.247 268 R HA 0.323 4.663 4.340 -0.000 0.000 0.329 268 R C -2.536 174.003 176.300 0.399 0.000 1.014 268 R CA -1.411 54.899 56.100 0.350 0.000 0.907 268 R CB 1.521 32.108 30.300 0.478 0.000 1.146 268 R HN 0.320 nan 8.270 nan 0.000 0.499 269 P HA -0.062 nan 4.420 nan 0.000 0.266 269 P C -0.079 177.322 177.300 0.168 0.000 1.195 269 P CA -0.078 63.187 63.100 0.275 0.000 0.768 269 P CB 0.604 32.429 31.700 0.208 0.000 0.838 270 L N 4.735 126.084 121.223 0.210 0.000 2.503 270 L HA 0.040 4.380 4.340 -0.000 0.000 0.287 270 L C -1.675 175.198 176.870 0.004 0.000 1.252 270 L CA -1.247 53.631 54.840 0.063 0.000 0.835 270 L CB -0.633 41.553 42.059 0.213 0.000 1.099 270 L HN 0.302 nan 8.230 nan 0.000 0.516 271 P HA 0.027 nan 4.420 nan 0.000 0.262 271 P C -0.402 176.904 177.300 0.009 0.000 1.182 271 P CA 0.355 63.434 63.100 -0.035 0.000 0.761 271 P CB 0.393 32.069 31.700 -0.041 0.000 0.795 272 R N 1.033 121.537 120.500 0.007 0.000 2.565 272 R HA 0.110 4.450 4.340 -0.000 0.000 0.347 272 R C -0.187 176.113 176.300 -0.001 0.000 1.010 272 R CA -0.313 55.796 56.100 0.014 0.000 1.126 272 R CB 0.301 30.608 30.300 0.012 0.000 1.331 272 R HN 0.512 nan 8.270 nan 0.000 0.552 273 E N 0.762 120.959 120.200 -0.005 0.000 2.765 273 E HA -0.017 4.332 4.350 -0.000 0.000 0.256 273 E C 1.193 177.787 176.600 -0.009 0.000 0.935 273 E CA 1.692 58.087 56.400 -0.008 0.000 0.954 273 E CB 0.119 29.815 29.700 -0.006 0.000 0.908 273 E HN 0.436 nan 8.360 nan 0.000 0.500 274 G N 2.558 111.351 108.800 -0.012 0.000 2.217 274 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.246 274 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.246 274 G C 0.126 175.017 174.900 -0.014 0.000 0.990 274 G CA 0.093 45.185 45.100 -0.013 0.000 0.627 274 G HN 0.480 nan 8.290 nan 0.000 0.522 275 Q N 0.871 120.663 119.800 -0.014 0.000 2.230 275 Q HA 0.519 4.859 4.340 -0.000 0.000 0.248 275 Q C -2.299 173.689 176.000 -0.019 0.000 0.915 275 Q CA -1.803 53.992 55.803 -0.013 0.000 0.900 275 Q CB 1.066 29.800 28.738 -0.006 0.000 1.229 275 Q HN 0.156 nan 8.270 nan 0.000 0.439 276 P HA -0.106 nan 4.420 nan 0.000 0.262 276 P C 0.082 177.356 177.300 -0.042 0.000 1.182 276 P CA 0.050 63.134 63.100 -0.027 0.000 0.761 276 P CB 0.509 32.198 31.700 -0.019 0.000 0.795 277 L N 4.396 125.586 121.223 -0.054 0.000 2.042 277 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 277 L C 1.544 178.347 176.870 -0.112 0.000 1.076 277 L CA 2.003 56.796 54.840 -0.078 0.000 0.749 277 L CB -0.439 41.572 42.059 -0.078 0.000 0.893 277 L HN 0.412 nan 8.230 nan 0.000 0.432 278 L N -1.949 119.214 121.223 -0.100 0.000 2.609 278 L HA 0.099 4.438 4.340 -0.000 0.000 0.230 278 L C 2.152 178.966 176.870 -0.092 0.000 1.087 278 L CA -0.038 54.729 54.840 -0.120 0.000 0.874 278 L CB -0.067 41.927 42.059 -0.107 0.000 1.114 278 L HN 0.174 nan 8.230 nan 0.000 0.488 279 E N 0.929 121.097 120.200 -0.053 0.000 2.023 279 E HA -0.209 4.140 4.350 -0.000 0.000 0.196 279 E C 0.405 177.012 176.600 0.011 0.000 1.003 279 E CA 1.555 57.949 56.400 -0.010 0.000 0.809 279 E CB 0.078 29.784 29.700 0.010 0.000 0.755 279 E HN 0.451 nan 8.360 nan 0.000 0.449 280 H N -1.834 117.163 119.070 -0.122 0.000 2.877 280 H HA 0.445 5.000 4.556 -0.000 0.000 0.347 280 H C -0.231 174.917 175.328 -0.300 0.000 1.042 280 H CA -0.629 55.310 56.048 -0.181 0.000 1.276 280 H CB 1.043 30.723 29.762 -0.137 0.000 1.681 280 H HN -0.066 nan 8.280 nan 0.000 0.521 281 R N 3.082 123.085 120.500 -0.828 0.000 2.317 281 R HA 0.317 4.657 4.340 -0.000 0.000 0.208 281 R C 0.050 175.948 176.300 -0.670 0.000 0.914 281 R CA 0.430 56.008 56.100 -0.871 0.000 1.060 281 R CB 0.681 30.188 30.300 -1.322 0.000 1.015 281 R HN 0.832 nan 8.270 nan 0.000 0.498 282 G N -0.445 108.124 108.800 -0.386 0.000 2.353 282 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.424 282 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.424 282 G C -1.864 173.006 174.900 -0.051 0.000 1.320 282 G CA -1.056 44.015 45.100 -0.048 0.000 0.995 282 G HN 0.061 nan 8.290 nan 0.000 0.580 283 Y N -0.972 119.529 120.300 0.334 0.000 2.361 283 Y HA 0.568 5.118 4.550 -0.000 0.000 0.337 283 Y C 0.414 176.505 175.900 0.317 0.000 0.965 283 Y CA -0.753 57.551 58.100 0.340 0.000 1.091 283 Y CB 2.248 40.901 38.460 0.322 0.000 1.182 283 Y HN 0.679 nan 8.280 nan 0.000 0.450 284 C N 5.523 125.074 119.300 0.418 0.000 2.357 284 C HA 0.226 4.686 4.460 -0.000 0.000 0.300 284 C C -1.236 173.926 174.990 0.286 0.000 1.074 284 C CA -1.422 57.809 59.018 0.355 0.000 1.566 284 C CB 0.162 28.060 27.740 0.263 0.000 1.791 284 C HN 0.657 nan 8.230 nan 0.000 0.415 285 P HA -0.070 nan 4.420 nan 0.000 0.223 285 P C 0.986 178.344 177.300 0.096 0.000 1.151 285 P CA 1.177 64.373 63.100 0.159 0.000 0.787 285 P CB 0.249 32.090 31.700 0.235 0.000 0.788 286 L N -1.486 119.807 121.223 0.117 0.000 2.627 286 L HA 0.189 4.528 4.340 -0.000 0.000 0.233 286 L C 1.559 178.465 176.870 0.061 0.000 1.144 286 L CA 0.359 55.211 54.840 0.020 0.000 0.892 286 L CB -1.230 40.733 42.059 -0.159 0.000 1.039 286 L HN 0.104 nan 8.230 nan 0.000 0.442 287 G N 1.384 110.253 108.800 0.114 0.000 2.552 287 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.265 287 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.265 287 G C -0.096 174.887 174.900 0.137 0.000 1.234 287 G CA -0.329 44.850 45.100 0.131 0.000 0.944 287 G HN 0.384 nan 8.290 nan 0.000 0.568 288 R N 1.101 121.699 120.500 0.162 0.000 2.255 288 R HA 0.525 4.865 4.340 -0.000 0.000 0.326 288 R C 0.066 176.448 176.300 0.137 0.000 0.986 288 R CA -0.373 55.814 56.100 0.144 0.000 0.847 288 R CB 1.413 31.797 30.300 0.140 0.000 1.111 288 R HN 0.628 nan 8.270 nan 0.000 0.452 289 E N 0.737 120.989 120.200 0.087 0.000 2.243 289 E HA 0.307 4.657 4.350 -0.000 0.000 0.260 289 E C -0.565 176.006 176.600 -0.048 0.000 0.985 289 E CA -0.791 55.627 56.400 0.029 0.000 0.858 289 E CB 1.779 31.479 29.700 0.000 0.000 1.210 289 E HN 0.288 nan 8.360 nan 0.000 0.411 290 T N 0.948 115.408 114.554 -0.157 0.000 2.771 290 T HA 0.587 4.937 4.350 -0.000 0.000 0.281 290 T C -0.739 173.765 174.700 -0.327 0.000 0.982 290 T CA -0.473 61.472 62.100 -0.258 0.000 0.978 290 T CB 1.085 69.750 68.868 -0.338 0.000 0.930 290 T HN 0.499 nan 8.240 nan 0.000 0.447 291 A N 3.419 125.974 122.820 -0.441 0.000 2.387 291 A HA 0.941 5.261 4.320 -0.000 0.000 0.303 291 A C -1.113 176.267 177.584 -0.340 0.000 1.145 291 A CA -0.842 50.944 52.037 -0.417 0.000 0.801 291 A CB 1.213 19.933 19.000 -0.466 0.000 1.342 291 A HN 0.849 nan 8.150 nan 0.000 0.440 292 I N -0.277 120.246 120.570 -0.077 0.000 2.619 292 I HA 0.453 4.622 4.170 -0.000 0.000 0.292 292 I C -1.359 174.897 176.117 0.232 0.000 1.100 292 I CA -0.498 60.864 61.300 0.104 0.000 1.043 292 I CB 1.958 40.004 38.000 0.077 0.000 1.239 292 I HN 0.632 nan 8.210 nan 0.000 0.420 293 Q N 5.677 125.664 119.800 0.310 0.000 2.433 293 Q HA 0.491 4.831 4.340 -0.000 0.000 0.279 293 Q C -1.101 175.076 176.000 0.295 0.000 1.105 293 Q CA -0.796 55.161 55.803 0.257 0.000 0.815 293 Q CB 2.577 31.415 28.738 0.167 0.000 1.403 293 Q HN 0.624 nan 8.270 nan 0.000 0.435 294 R N 1.092 121.697 120.500 0.174 0.000 2.349 294 R HA 0.586 4.926 4.340 -0.000 0.000 0.299 294 R C -0.701 175.540 176.300 -0.098 0.000 1.027 294 R CA -0.258 55.806 56.100 -0.059 0.000 0.958 294 R CB 0.577 30.824 30.300 -0.089 0.000 1.047 294 R HN 0.505 nan 8.270 nan 0.000 0.468 295 L N 3.473 124.593 121.223 -0.171 0.000 2.331 295 L HA 0.491 4.831 4.340 -0.000 0.000 0.275 295 L C 0.011 176.810 176.870 -0.119 0.000 1.022 295 L CA -0.610 54.146 54.840 -0.139 0.000 0.812 295 L CB 1.714 43.678 42.059 -0.157 0.000 1.257 295 L HN 0.745 nan 8.230 nan 0.000 0.435 296 E N 0.788 120.908 120.200 -0.134 0.000 2.392 296 E HA 0.401 4.751 4.350 -0.000 0.000 0.269 296 E C -1.979 174.520 176.600 -0.167 0.000 0.924 296 E CA -0.880 55.483 56.400 -0.062 0.000 0.784 296 E CB 1.753 31.460 29.700 0.011 0.000 1.292 296 E HN 0.388 nan 8.360 nan 0.000 0.447 297 W N 1.015 122.246 121.300 -0.116 0.000 2.551 297 W HA 0.511 5.171 4.660 -0.000 0.000 0.330 297 W C -0.089 176.426 176.519 -0.008 0.000 1.063 297 W CA -0.585 56.694 57.345 -0.110 0.000 1.222 297 W CB 1.790 31.068 29.460 -0.303 0.000 1.349 297 W HN 0.373 nan 8.180 nan 0.000 0.536 298 K N 2.975 123.563 120.400 0.313 0.000 2.656 298 K HA 0.104 4.424 4.320 -0.000 0.000 0.253 298 K C -0.835 175.934 176.600 0.281 0.000 1.002 298 K CA -0.314 56.094 56.287 0.201 0.000 0.880 298 K CB 0.943 33.441 32.500 -0.003 0.000 1.232 298 K HN 0.609 nan 8.250 nan 0.000 0.456 299 D N 3.165 123.678 120.400 0.188 0.000 2.800 299 D HA -0.168 4.472 4.640 -0.000 0.000 0.232 299 D C 0.547 176.910 176.300 0.105 0.000 1.137 299 D CA 1.808 55.906 54.000 0.163 0.000 0.718 299 D CB -1.023 39.901 40.800 0.206 0.000 1.084 299 D HN 1.138 nan 8.370 nan 0.000 0.432 300 G N -1.171 107.701 108.800 0.120 0.000 2.153 300 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.252 300 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.252 300 G C -0.057 174.806 174.900 -0.061 0.000 0.994 300 G CA 0.552 45.674 45.100 0.038 0.000 0.698 300 G HN 0.385 nan 8.290 nan 0.000 0.521 301 W N 0.585 122.003 121.300 0.196 0.000 2.702 301 W HA 0.567 5.227 4.660 -0.000 0.000 0.331 301 W C -2.060 174.155 176.519 -0.507 0.000 1.049 301 W CA -2.647 54.583 57.345 -0.192 0.000 1.230 301 W CB 2.158 31.302 29.460 -0.526 0.000 1.408 301 W HN -0.052 nan 8.180 nan 0.000 0.492 302 P HA 0.207 nan 4.420 nan 0.000 0.284 302 P C -1.451 175.546 177.300 -0.505 0.000 1.253 302 P CA -0.056 62.323 63.100 -1.203 0.000 0.800 302 P CB 1.161 31.907 31.700 -1.588 0.000 0.961 303 Y N -0.003 120.094 120.300 -0.338 0.000 2.462 303 Y HA 0.301 4.851 4.550 -0.000 0.000 0.346 303 Y C 0.327 176.112 175.900 -0.193 0.000 0.976 303 Y CA -1.216 56.787 58.100 -0.161 0.000 1.044 303 Y CB 2.118 40.531 38.460 -0.077 0.000 1.230 303 Y HN 0.031 nan 8.280 nan 0.000 0.455 304 V N 4.196 124.096 119.914 -0.023 0.000 2.508 304 V HA 0.086 4.206 4.120 -0.000 0.000 0.281 304 V C -0.109 175.983 176.094 -0.004 0.000 1.041 304 V CA -0.703 61.571 62.300 -0.042 0.000 1.016 304 V CB 0.761 32.541 31.823 -0.072 0.000 0.984 304 V HN 0.507 nan 8.190 nan 0.000 0.478 305 V N 5.196 125.101 119.914 -0.016 0.000 2.529 305 V HA 0.429 4.549 4.120 -0.000 0.000 0.292 305 V C 1.277 177.362 176.094 -0.016 0.000 1.028 305 V CA 1.250 63.542 62.300 -0.012 0.000 1.074 305 V CB 0.168 31.982 31.823 -0.015 0.000 0.958 305 V HN 1.287 nan 8.190 nan 0.000 0.481 306 G N 3.144 111.931 108.800 -0.022 0.000 2.131 306 G HA2 0.276 4.235 3.960 -0.000 0.000 0.201 306 G HA3 0.276 4.235 3.960 -0.000 0.000 0.201 306 G C 0.641 175.503 174.900 -0.064 0.000 1.000 306 G CA -0.104 44.972 45.100 -0.039 0.000 0.680 306 G HN 2.297 nan 8.290 nan 0.000 0.514 307 G N -0.205 108.574 108.800 -0.035 0.000 2.757 307 G HA2 0.179 4.139 3.960 -0.000 0.000 0.638 307 G HA3 0.179 4.139 3.960 -0.000 0.000 0.638 307 G C 0.438 175.314 174.900 -0.041 0.000 1.344 307 G CA 0.413 45.498 45.100 -0.024 0.000 0.855 307 G HN 1.838 nan 8.290 nan 0.000 0.537 308 N N 0.454 119.160 118.700 0.009 0.000 2.461 308 N HA 0.267 5.007 4.740 -0.000 0.000 0.188 308 N C 0.983 176.488 175.510 -0.009 0.000 1.134 308 N CA 1.313 54.364 53.050 0.001 0.000 0.878 308 N CB -0.073 38.422 38.487 0.014 0.000 0.972 308 N HN 1.245 nan 8.380 nan 0.000 0.456 309 G N 0.712 109.385 108.800 -0.213 0.000 2.477 309 G HA2 0.465 4.425 3.960 -0.000 0.000 0.304 309 G HA3 0.465 4.425 3.960 -0.000 0.000 0.304 309 G C -2.803 171.952 174.900 -0.241 0.000 1.175 309 G CA -1.268 43.609 45.100 -0.371 0.000 0.907 309 G HN 0.141 nan 8.290 nan 0.000 0.509 310 P HA 0.258 nan 4.420 nan 0.000 0.286 310 P C -0.302 176.980 177.300 -0.029 0.000 1.269 310 P CA -0.290 62.774 63.100 -0.059 0.000 0.787 310 P CB 1.525 33.247 31.700 0.037 0.000 0.920 311 S N 2.381 118.086 115.700 0.008 0.000 2.584 311 S HA 0.124 4.594 4.470 -0.000 0.000 0.273 311 S C 1.328 175.965 174.600 0.062 0.000 1.311 311 S CA -0.452 57.759 58.200 0.018 0.000 1.034 311 S CB 0.604 63.818 63.200 0.022 0.000 0.939 311 S HN 0.416 nan 8.310 nan 0.000 0.513 312 L N 2.047 123.300 121.223 0.049 0.000 2.109 312 L HA 0.233 4.573 4.340 -0.000 0.000 0.207 312 L C 0.737 177.644 176.870 0.061 0.000 1.086 312 L CA 1.638 56.515 54.840 0.062 0.000 0.760 312 L CB -0.127 41.964 42.059 0.053 0.000 0.910 312 L HN 0.749 nan 8.230 nan 0.000 0.437 313 E N -0.132 120.100 120.200 0.054 0.000 2.246 313 E HA 0.456 4.805 4.350 -0.000 0.000 0.266 313 E C -1.032 175.606 176.600 0.063 0.000 0.880 313 E CA -0.607 55.826 56.400 0.055 0.000 0.762 313 E CB 1.451 31.177 29.700 0.043 0.000 1.180 313 E HN 0.275 nan 8.360 nan 0.000 0.416 314 I N -0.100 120.519 120.570 0.082 0.000 3.170 314 I HA 0.589 4.759 4.170 -0.000 0.000 0.312 314 I C -0.802 175.381 176.117 0.109 0.000 1.085 314 I CA -0.981 60.385 61.300 0.109 0.000 0.999 314 I CB 2.068 40.171 38.000 0.171 0.000 1.233 314 I HN 0.240 nan 8.210 nan 0.000 0.467 315 D N 2.992 123.474 120.400 0.136 0.000 2.313 315 D HA 0.341 4.981 4.640 -0.000 0.000 0.239 315 D C 0.271 176.708 176.300 0.229 0.000 1.142 315 D CA 0.149 54.229 54.000 0.133 0.000 0.847 315 D CB 1.785 42.648 40.800 0.106 0.000 1.082 315 D HN 0.850 nan 8.370 nan 0.000 0.480 316 G N 2.857 111.727 108.800 0.116 0.000 2.653 316 G HA2 0.291 4.251 3.960 -0.000 0.000 0.265 316 G HA3 0.291 4.251 3.960 -0.000 0.000 0.265 316 G C -2.179 172.788 174.900 0.112 0.000 1.237 316 G CA -0.695 44.413 45.100 0.014 0.000 0.946 316 G HN 0.269 nan 8.290 nan 0.000 0.522 317 P HA 0.169 nan 4.420 nan 0.000 0.274 317 P C -0.118 177.184 177.300 0.003 0.000 1.246 317 P CA -0.394 62.762 63.100 0.092 0.000 0.795 317 P CB 0.903 32.561 31.700 -0.069 0.000 1.006 318 S N -0.047 115.657 115.700 0.006 0.000 4.120 318 S HA 0.255 4.724 4.470 -0.000 0.000 0.215 318 S C 0.460 175.039 174.600 -0.035 0.000 1.347 318 S CA -0.417 57.776 58.200 -0.012 0.000 0.889 318 S CB -1.517 61.681 63.200 -0.003 0.000 1.585 318 S HN 0.337 nan 8.310 nan 0.000 0.447 319 V N -0.923 118.966 119.914 -0.041 0.000 3.102 319 V HA 0.629 4.748 4.120 -0.000 0.000 0.312 319 V C -0.282 175.787 176.094 -0.041 0.000 1.135 319 V CA -1.290 60.998 62.300 -0.021 0.000 1.022 319 V CB 1.545 33.368 31.823 0.000 0.000 1.056 319 V HN 0.161 nan 8.190 nan 0.000 0.436 320 E N 1.564 121.742 120.200 -0.036 0.000 2.360 320 E HA 0.146 4.496 4.350 -0.000 0.000 0.269 320 E C -0.113 176.421 176.600 -0.111 0.000 1.022 320 E CA 0.191 56.553 56.400 -0.065 0.000 0.887 320 E CB 1.186 30.853 29.700 -0.056 0.000 0.990 320 E HN 0.889 nan 8.360 nan 0.000 0.426 321 E N 1.746 121.868 120.200 -0.130 0.000 2.414 321 E HA 0.079 4.428 4.350 -0.000 0.000 0.263 321 E C -1.013 175.434 176.600 -0.255 0.000 1.000 321 E CA -0.163 56.124 56.400 -0.188 0.000 0.914 321 E CB 0.652 30.255 29.700 -0.162 0.000 0.948 321 E HN 0.059 nan 8.360 nan 0.000 0.444 322 V N 4.700 124.383 119.914 -0.385 0.000 2.325 322 V HA 0.167 4.287 4.120 -0.000 0.000 0.280 322 V C -0.312 175.243 176.094 -0.899 0.000 1.016 322 V CA -0.670 61.268 62.300 -0.603 0.000 0.818 322 V CB 1.314 32.738 31.823 -0.665 0.000 1.019 322 V HN 0.630 nan 8.190 nan 0.000 0.434 323 S N 3.613 118.918 115.700 -0.659 0.000 2.601 323 S HA 0.554 5.024 4.470 -0.000 0.000 0.271 323 S C -0.688 173.521 174.600 -0.651 0.000 1.305 323 S CA -0.358 57.501 58.200 -0.568 0.000 1.022 323 S CB 0.792 63.841 63.200 -0.252 0.000 0.940 323 S HN 0.642 nan 8.310 nan 0.000 0.525 324 W N 1.147 122.448 121.300 0.002 0.000 2.627 324 W HA 0.414 5.073 4.660 -0.000 0.000 0.339 324 W C 0.254 176.799 176.519 0.043 0.000 1.058 324 W CA -1.040 56.325 57.345 0.034 0.000 1.223 324 W CB 0.627 30.127 29.460 0.067 0.000 1.389 324 W HN 0.674 nan 8.180 nan 0.000 0.541 325 E N 2.488 122.871 120.200 0.305 0.000 2.383 325 E HA 0.139 4.489 4.350 -0.000 0.000 0.264 325 E C -0.112 176.594 176.600 0.177 0.000 1.050 325 E CA -0.706 55.799 56.400 0.176 0.000 0.896 325 E CB 0.976 30.750 29.700 0.123 0.000 0.982 325 E HN 0.341 nan 8.360 nan 0.000 0.424 326 K N 1.668 122.131 120.400 0.105 0.000 2.530 326 K HA -0.109 4.211 4.320 -0.000 0.000 0.280 326 K C -0.036 176.630 176.600 0.109 0.000 1.004 326 K CA 0.653 56.987 56.287 0.078 0.000 1.071 326 K CB 0.346 32.808 32.500 -0.064 0.000 0.876 326 K HN 0.657 nan 8.250 nan 0.000 0.487 327 D N 3.647 124.189 120.400 0.236 0.000 2.424 327 D HA 0.015 4.654 4.640 -0.000 0.000 0.220 327 D C -0.595 175.886 176.300 0.302 0.000 1.150 327 D CA -0.103 54.049 54.000 0.253 0.000 0.831 327 D CB -0.271 40.736 40.800 0.345 0.000 0.981 327 D HN 0.472 nan 8.370 nan 0.000 0.500 328 Y N -2.111 118.271 120.300 0.136 0.000 2.609 328 Y HA 0.584 5.134 4.550 -0.000 0.000 0.336 328 Y C -1.461 174.481 175.900 0.070 0.000 1.129 328 Y CA -1.451 56.711 58.100 0.103 0.000 1.040 328 Y CB 0.884 39.460 38.460 0.192 0.000 1.310 328 Y HN -0.375 nan 8.280 nan 0.000 0.460 329 D N 2.456 122.897 120.400 0.069 0.000 2.264 329 D HA 0.090 4.730 4.640 -0.000 0.000 0.250 329 D C 0.827 177.131 176.300 0.008 0.000 1.113 329 D CA -0.062 53.912 54.000 -0.043 0.000 0.871 329 D CB 1.903 42.710 40.800 0.011 0.000 1.167 329 D HN 0.939 nan 8.370 nan 0.000 0.447 330 E N 2.758 122.878 120.200 -0.134 0.000 2.070 330 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 330 E C 0.212 176.857 176.600 0.075 0.000 1.004 330 E CA 1.155 57.551 56.400 -0.006 0.000 0.805 330 E CB 0.279 29.929 29.700 -0.083 0.000 0.744 330 E HN 0.215 nan 8.360 nan 0.000 0.451 331 K N 1.267 121.663 120.400 -0.006 0.000 2.404 331 K HA 0.060 4.380 4.320 -0.000 0.000 0.257 331 K C -1.386 175.198 176.600 -0.026 0.000 1.026 331 K CA -0.529 55.737 56.287 -0.036 0.000 0.951 331 K CB 1.067 33.460 32.500 -0.179 0.000 1.203 331 K HN -0.096 nan 8.250 nan 0.000 0.446 332 D N 3.618 124.031 120.400 0.021 0.000 2.352 332 D HA 0.043 4.683 4.640 -0.000 0.000 0.245 332 D C -0.051 176.073 176.300 -0.293 0.000 1.224 332 D CA -0.064 53.874 54.000 -0.103 0.000 0.879 332 D CB 1.046 41.801 40.800 -0.074 0.000 1.057 332 D HN 0.516 nan 8.370 nan 0.000 0.491 333 D N 3.119 123.437 120.400 -0.136 0.000 2.349 333 D HA -0.065 4.575 4.640 -0.000 0.000 0.224 333 D C 0.307 176.654 176.300 0.078 0.000 1.029 333 D CA 0.003 53.983 54.000 -0.034 0.000 0.879 333 D CB -0.019 40.782 40.800 0.003 0.000 0.906 333 D HN 0.413 nan 8.370 nan 0.000 0.528 334 F N 0.447 120.496 119.950 0.165 0.000 3.074 334 F HA -0.218 4.309 4.527 -0.000 0.000 0.287 334 F C 0.987 176.851 175.800 0.107 0.000 0.932 334 F CA -0.018 58.066 58.000 0.141 0.000 0.995 334 F CB -1.959 37.125 39.000 0.139 0.000 0.966 334 F HN 0.020 nan 8.300 nan 0.000 0.721 335 D N -0.591 119.943 120.400 0.223 0.000 2.346 335 D HA 0.131 4.770 4.640 -0.000 0.000 0.206 335 D C 1.796 178.178 176.300 0.137 0.000 1.001 335 D CA 1.071 55.165 54.000 0.157 0.000 0.871 335 D CB 0.071 40.935 40.800 0.106 0.000 0.943 335 D HN 0.441 nan 8.370 nan 0.000 0.518 336 G N 1.172 110.062 108.800 0.150 0.000 2.599 336 G HA2 0.142 4.101 3.960 -0.000 0.000 0.264 336 G HA3 0.142 4.101 3.960 -0.000 0.000 0.264 336 G C 0.625 175.593 174.900 0.112 0.000 1.200 336 G CA -0.273 44.896 45.100 0.115 0.000 0.896 336 G HN -0.030 nan 8.290 nan 0.000 0.536 337 D N -1.887 118.560 120.400 0.078 0.000 2.305 337 D HA 0.012 4.651 4.640 -0.000 0.000 0.206 337 D C 1.354 177.690 176.300 0.061 0.000 0.974 337 D CA 0.935 54.973 54.000 0.064 0.000 0.871 337 D CB -0.232 40.595 40.800 0.044 0.000 0.947 337 D HN 0.465 nan 8.370 nan 0.000 0.516 338 T N -1.873 112.720 114.554 0.065 0.000 2.885 338 T HA 0.564 4.914 4.350 -0.000 0.000 0.285 338 T C 0.037 174.802 174.700 0.108 0.000 1.019 338 T CA -1.039 61.099 62.100 0.065 0.000 1.010 338 T CB 1.703 70.594 68.868 0.039 0.000 1.022 338 T HN 0.007 nan 8.240 nan 0.000 0.466 339 L N 3.164 124.460 121.223 0.121 0.000 2.455 339 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 339 L C 1.432 178.439 176.870 0.228 0.000 1.174 339 L CA -0.483 54.489 54.840 0.219 0.000 0.869 339 L CB 0.319 42.473 42.059 0.159 0.000 1.130 339 L HN 0.783 nan 8.230 nan 0.000 0.474 340 N N 2.736 121.619 118.700 0.305 0.000 2.293 340 N HA -0.148 4.592 4.740 -0.000 0.000 0.253 340 N C 1.117 176.668 175.510 0.069 0.000 1.248 340 N CA 0.206 53.318 53.050 0.102 0.000 0.845 340 N CB 0.483 39.015 38.487 0.075 0.000 1.073 340 N HN 0.726 nan 8.380 nan 0.000 0.464 341 H N 2.114 121.086 119.070 -0.164 0.000 2.559 341 H HA -0.005 4.551 4.556 -0.000 0.000 0.273 341 H C 0.421 175.542 175.328 -0.344 0.000 1.000 341 H CA 0.263 56.169 56.048 -0.237 0.000 1.195 341 H CB 0.031 29.626 29.762 -0.277 0.000 1.368 341 H HN 0.588 nan 8.280 nan 0.000 0.592 342 H N 0.493 119.572 119.070 0.015 0.000 2.529 342 H HA 0.023 4.579 4.556 -0.000 0.000 0.277 342 H C -0.085 175.060 175.328 -0.304 0.000 0.999 342 H CA 0.012 55.901 56.048 -0.265 0.000 1.256 342 H CB -0.133 29.348 29.762 -0.469 0.000 1.402 342 H HN 0.250 nan 8.280 nan 0.000 0.566 343 F N 2.158 122.100 119.950 -0.013 0.000 2.467 343 F HA 0.209 4.736 4.527 -0.000 0.000 0.362 343 F C 0.858 176.641 175.800 -0.029 0.000 1.090 343 F CA -0.052 57.905 58.000 -0.071 0.000 1.202 343 F CB 0.676 39.633 39.000 -0.073 0.000 1.113 343 F HN -0.033 nan 8.300 nan 0.000 0.541 344 Q N 0.703 120.625 119.800 0.203 0.000 2.495 344 Q HA 0.645 4.985 4.340 -0.000 0.000 0.283 344 Q C -0.526 175.621 176.000 0.245 0.000 1.097 344 Q CA -1.111 54.830 55.803 0.229 0.000 0.836 344 Q CB 2.595 31.512 28.738 0.298 0.000 1.426 344 Q HN 0.689 nan 8.270 nan 0.000 0.459 345 T N -2.353 112.372 114.554 0.285 0.000 2.930 345 T HA 0.621 4.970 4.350 -0.000 0.000 0.290 345 T C -0.422 174.281 174.700 0.005 0.000 1.052 345 T CA -0.855 61.313 62.100 0.114 0.000 1.017 345 T CB 0.614 69.502 68.868 0.034 0.000 1.137 345 T HN 0.373 nan 8.240 nan 0.000 0.511 346 L N 2.731 123.781 121.223 -0.287 0.000 2.313 346 L HA 0.432 4.772 4.340 -0.000 0.000 0.282 346 L C 1.465 178.176 176.870 -0.265 0.000 1.092 346 L CA -0.368 54.161 54.840 -0.518 0.000 0.831 346 L CB 0.269 41.998 42.059 -0.551 0.000 1.159 346 L HN 0.900 nan 8.230 nan 0.000 0.442 347 R N 1.345 121.727 120.500 -0.196 0.000 2.991 347 R HA -0.262 4.078 4.340 -0.000 0.000 0.236 347 R C 0.055 176.261 176.300 -0.156 0.000 0.788 347 R CA 2.174 58.204 56.100 -0.116 0.000 1.764 347 R CB -1.250 28.940 30.300 -0.184 0.000 1.289 347 R HN 0.739 nan 8.270 nan 0.000 0.583 348 I N -1.777 118.603 120.570 -0.315 0.000 2.934 348 I HA 0.636 4.806 4.170 -0.000 0.000 0.306 348 I C -2.687 172.970 176.117 -0.766 0.000 1.110 348 I CA -2.890 58.023 61.300 -0.644 0.000 1.019 348 I CB 2.475 40.254 38.000 -0.368 0.000 1.227 348 I HN -0.241 nan 8.210 nan 0.000 0.434 349 P HA 0.256 nan 4.420 nan 0.000 0.275 349 P C -1.078 176.084 177.300 -0.231 0.000 1.228 349 P CA -0.068 62.769 63.100 -0.440 0.000 0.786 349 P CB 1.008 32.526 31.700 -0.304 0.000 0.927 350 L N 2.455 123.609 121.223 -0.114 0.000 2.265 350 L HA 0.445 4.785 4.340 -0.000 0.000 0.289 350 L C 1.452 178.284 176.870 -0.063 0.000 1.033 350 L CA -0.556 54.230 54.840 -0.090 0.000 0.814 350 L CB 1.002 43.016 42.059 -0.075 0.000 1.203 350 L HN 0.446 nan 8.230 nan 0.000 0.423 351 G N 1.490 110.251 108.800 -0.066 0.000 2.653 351 G HA2 0.073 4.033 3.960 -0.000 0.000 0.265 351 G HA3 0.073 4.033 3.960 -0.000 0.000 0.265 351 G C 0.656 175.531 174.900 -0.041 0.000 1.237 351 G CA -0.380 44.689 45.100 -0.051 0.000 0.946 351 G HN 0.698 nan 8.290 nan 0.000 0.522 352 E N 0.239 120.416 120.200 -0.037 0.000 2.333 352 E HA -0.137 4.212 4.350 -0.000 0.000 0.198 352 E C 1.946 178.515 176.600 -0.051 0.000 1.007 352 E CA 1.220 57.604 56.400 -0.028 0.000 0.845 352 E CB 0.019 29.701 29.700 -0.029 0.000 0.766 352 E HN 0.678 nan 8.360 nan 0.000 0.507 353 D N -0.031 120.310 120.400 -0.098 0.000 2.312 353 D HA -0.111 4.529 4.640 -0.000 0.000 0.211 353 D C 1.726 177.935 176.300 -0.152 0.000 0.964 353 D CA 0.644 54.527 54.000 -0.196 0.000 0.877 353 D CB -0.168 40.526 40.800 -0.177 0.000 0.924 353 D HN 0.286 nan 8.370 nan 0.000 0.515 354 I N -0.398 120.166 120.570 -0.009 0.000 3.570 354 I HA 0.261 4.431 4.170 -0.000 0.000 0.270 354 I C 0.703 176.895 176.117 0.126 0.000 1.162 354 I CA 0.112 61.458 61.300 0.077 0.000 1.413 354 I CB 0.316 38.313 38.000 -0.004 0.000 1.437 354 I HN -0.026 nan 8.210 nan 0.000 0.457 355 A N 0.573 123.417 122.820 0.038 0.000 2.319 355 A HA 0.703 5.023 4.320 -0.000 0.000 0.310 355 A C -0.482 177.097 177.584 -0.008 0.000 1.152 355 A CA -0.236 51.794 52.037 -0.011 0.000 0.783 355 A CB 1.126 20.074 19.000 -0.087 0.000 1.184 355 A HN 0.093 nan 8.150 nan 0.000 0.474 356 T N 2.229 116.779 114.554 -0.006 0.000 2.993 356 T HA 0.487 4.837 4.350 -0.000 0.000 0.312 356 T C 0.002 174.682 174.700 -0.033 0.000 1.115 356 T CA -0.425 61.674 62.100 -0.002 0.000 1.027 356 T CB 0.632 69.531 68.868 0.052 0.000 1.116 356 T HN 0.441 nan 8.240 nan 0.000 0.464 357 L N 3.610 124.821 121.223 -0.021 0.000 2.607 357 L HA 0.360 4.700 4.340 -0.000 0.000 0.228 357 L C 2.046 178.941 176.870 0.041 0.000 1.123 357 L CA 0.159 55.002 54.840 0.004 0.000 0.890 357 L CB 0.021 42.099 42.059 0.032 0.000 1.103 357 L HN 0.579 nan 8.230 nan 0.000 0.468 358 K N -0.094 120.323 120.400 0.028 0.000 2.276 358 K HA 0.184 4.503 4.320 -0.000 0.000 0.198 358 K C 2.231 178.843 176.600 0.021 0.000 1.052 358 K CA 0.728 57.033 56.287 0.030 0.000 0.984 358 K CB 0.136 32.648 32.500 0.019 0.000 0.836 358 K HN 0.168 nan 8.250 nan 0.000 0.490 359 A N 1.506 124.332 122.820 0.009 0.000 1.877 359 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 359 A C 1.239 178.799 177.584 -0.041 0.000 1.186 359 A CA 1.151 53.176 52.037 -0.020 0.000 0.620 359 A CB 0.010 18.994 19.000 -0.027 0.000 0.822 359 A HN 0.029 nan 8.150 nan 0.000 0.443 360 R N -0.107 120.376 120.500 -0.027 0.000 2.422 360 R HA 0.345 4.685 4.340 -0.000 0.000 0.307 360 R C -3.276 173.088 176.300 0.106 0.000 1.004 360 R CA -2.383 53.701 56.100 -0.027 0.000 0.882 360 R CB 1.089 31.300 30.300 -0.149 0.000 1.164 360 R HN 0.072 nan 8.270 nan 0.000 0.489 361 P HA 0.055 nan 4.420 nan 0.000 0.264 361 P C 0.551 178.051 177.300 0.333 0.000 1.193 361 P CA 0.854 64.064 63.100 0.183 0.000 0.763 361 P CB 0.634 32.414 31.700 0.133 0.000 0.810 362 G N 1.298 110.268 108.800 0.283 0.000 2.159 362 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.256 362 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.256 362 G C -0.134 174.888 174.900 0.204 0.000 0.977 362 G CA -0.052 45.198 45.100 0.251 0.000 0.652 362 G HN 0.674 nan 8.290 nan 0.000 0.531 363 H N -1.634 117.568 119.070 0.220 0.000 2.768 363 H HA 0.664 5.220 4.556 -0.000 0.000 0.371 363 H C -0.315 175.009 175.328 -0.006 0.000 1.151 363 H CA -0.851 55.321 56.048 0.206 0.000 1.165 363 H CB 1.732 31.592 29.762 0.164 0.000 1.722 363 H HN 0.288 nan 8.280 nan 0.000 0.543 364 L N 2.018 123.123 121.223 -0.196 0.000 2.265 364 L HA 0.397 4.737 4.340 -0.000 0.000 0.288 364 L C -0.075 176.767 176.870 -0.047 0.000 1.058 364 L CA -0.187 54.397 54.840 -0.426 0.000 0.809 364 L CB 0.359 41.724 42.059 -1.155 0.000 1.179 364 L HN 0.578 nan 8.230 nan 0.000 0.429 365 R N 5.586 126.054 120.500 -0.053 0.000 2.294 365 R HA 0.582 4.922 4.340 -0.000 0.000 0.319 365 R C -1.569 174.689 176.300 -0.069 0.000 0.984 365 R CA -0.554 55.511 56.100 -0.059 0.000 0.861 365 R CB 0.676 30.848 30.300 -0.213 0.000 1.104 365 R HN 0.762 nan 8.270 nan 0.000 0.451 366 L N 5.781 127.004 121.223 0.000 0.000 2.298 366 L HA 0.371 4.710 4.340 -0.000 0.000 0.284 366 L C -0.936 175.909 176.870 -0.042 0.000 1.013 366 L CA -0.929 53.913 54.840 0.003 0.000 0.824 366 L CB 1.194 43.285 42.059 0.052 0.000 1.221 366 L HN 0.626 nan 8.230 nan 0.000 0.418 367 Y N 1.498 121.827 120.300 0.048 0.000 2.393 367 Y HA 0.273 4.823 4.550 -0.000 0.000 0.338 367 Y C 1.324 177.235 175.900 0.019 0.000 1.029 367 Y CA -0.138 58.008 58.100 0.076 0.000 1.239 367 Y CB 1.136 39.621 38.460 0.042 0.000 1.170 367 Y HN 0.637 nan 8.280 nan 0.000 0.515 368 G N 4.749 113.640 108.800 0.151 0.000 2.305 368 G HA2 0.229 4.189 3.960 -0.000 0.000 0.243 368 G HA3 0.229 4.189 3.960 -0.000 0.000 0.243 368 G C 0.343 175.269 174.900 0.043 0.000 1.288 368 G CA -0.460 44.673 45.100 0.054 0.000 0.901 368 G HN 0.552 nan 8.290 nan 0.000 0.516 369 R N 1.512 122.001 120.500 -0.017 0.000 2.721 369 R HA 0.317 4.657 4.340 -0.000 0.000 0.104 369 R C 0.384 176.689 176.300 0.007 0.000 1.052 369 R CA -0.590 55.506 56.100 -0.007 0.000 0.852 369 R CB -0.300 29.984 30.300 -0.026 0.000 0.799 369 R HN 0.666 nan 8.270 nan 0.000 0.373 370 E N 1.128 121.336 120.200 0.013 0.000 2.351 370 E HA 0.157 4.507 4.350 -0.000 0.000 0.255 370 E C 0.043 176.691 176.600 0.080 0.000 1.188 370 E CA -0.324 56.105 56.400 0.047 0.000 0.940 370 E CB 0.611 30.347 29.700 0.060 0.000 1.094 370 E HN 0.444 nan 8.360 nan 0.000 0.474 371 S N -0.019 115.729 115.700 0.079 0.000 2.617 371 S HA 0.050 4.519 4.470 -0.000 0.000 0.259 371 S C 1.064 175.654 174.600 -0.017 0.000 1.301 371 S CA -0.434 57.797 58.200 0.052 0.000 0.984 371 S CB 0.300 63.542 63.200 0.071 0.000 0.954 371 S HN 0.518 nan 8.310 nan 0.000 0.572 372 L N 0.754 121.821 121.223 -0.261 0.000 2.456 372 L HA -0.022 4.318 4.340 -0.000 0.000 0.224 372 L C 2.444 179.295 176.870 -0.032 0.000 1.148 372 L CA 1.328 55.864 54.840 -0.507 0.000 0.825 372 L CB -0.814 40.353 42.059 -1.487 0.000 0.937 372 L HN 1.015 nan 8.230 nan 0.000 0.450 373 T N -5.321 109.326 114.554 0.155 0.000 3.144 373 T HA 0.058 4.408 4.350 -0.000 0.000 0.249 373 T C 0.774 175.580 174.700 0.177 0.000 1.089 373 T CA -0.191 62.060 62.100 0.252 0.000 0.989 373 T CB 0.138 69.165 68.868 0.266 0.000 0.992 373 T HN 0.072 nan 8.240 nan 0.000 0.540 374 S N 0.751 116.535 115.700 0.141 0.000 2.475 374 S HA 0.409 4.878 4.470 -0.000 0.000 0.281 374 S C 0.743 175.406 174.600 0.104 0.000 1.198 374 S CA -0.855 57.449 58.200 0.173 0.000 1.063 374 S CB 0.692 63.997 63.200 0.175 0.000 0.972 374 S HN 0.417 nan 8.310 nan 0.000 0.486 375 R N 3.107 123.642 120.500 0.057 0.000 2.363 375 R HA 0.241 4.581 4.340 -0.000 0.000 0.236 375 R C -0.241 175.720 176.300 -0.565 0.000 0.966 375 R CA 0.387 56.331 56.100 -0.261 0.000 1.100 375 R CB 0.062 30.139 30.300 -0.372 0.000 1.125 375 R HN 0.619 nan 8.270 nan 0.000 0.514 376 F N -1.841 118.091 119.950 -0.031 0.000 2.171 376 F HA 0.243 4.770 4.527 -0.000 0.000 0.220 376 F C 0.757 176.518 175.800 -0.066 0.000 1.118 376 F CA -0.176 57.797 58.000 -0.044 0.000 1.229 376 F CB 0.240 39.221 39.000 -0.030 0.000 1.616 376 F HN -0.359 nan 8.300 nan 0.000 0.477 377 T N 2.234 116.876 114.554 0.147 0.000 2.842 377 T HA 0.383 4.733 4.350 -0.000 0.000 0.308 377 T C -0.790 173.910 174.700 -0.001 0.000 1.041 377 T CA -0.558 61.559 62.100 0.030 0.000 0.964 377 T CB 0.840 69.717 68.868 0.016 0.000 0.972 377 T HN 0.087 nan 8.240 nan 0.000 0.460 378 Q N 1.687 121.462 119.800 -0.041 0.000 2.331 378 Q HA 0.596 4.936 4.340 -0.000 0.000 0.267 378 Q C -0.478 175.442 176.000 -0.133 0.000 1.006 378 Q CA -0.883 54.876 55.803 -0.074 0.000 0.818 378 Q CB 2.299 31.021 28.738 -0.026 0.000 1.276 378 Q HN 0.755 nan 8.270 nan 0.000 0.450 379 A N 3.626 126.296 122.820 -0.251 0.000 2.915 379 A HA 0.316 4.635 4.320 -0.000 0.000 0.292 379 A C -1.101 176.299 177.584 -0.306 0.000 1.632 379 A CA 0.104 52.001 52.037 -0.234 0.000 1.337 379 A CB -0.531 18.356 19.000 -0.189 0.000 1.111 379 A HN 0.491 nan 8.150 nan 0.000 0.569 380 F N 2.300 122.037 119.950 -0.355 0.000 2.562 380 F HA 0.545 5.071 4.527 -0.000 0.000 0.319 380 F C -1.153 174.528 175.800 -0.198 0.000 1.154 380 F CA -1.463 56.372 58.000 -0.274 0.000 0.931 380 F CB 2.042 40.929 39.000 -0.189 0.000 1.198 380 F HN 0.064 nan 8.300 nan 0.000 0.444 381 V N 5.680 125.370 119.914 -0.373 0.000 2.407 381 V HA 0.880 5.000 4.120 -0.000 0.000 0.291 381 V C -0.472 175.255 176.094 -0.611 0.000 1.018 381 V CA -0.444 61.555 62.300 -0.501 0.000 0.842 381 V CB 1.076 32.532 31.823 -0.612 0.000 0.996 381 V HN 1.009 nan 8.190 nan 0.000 0.426 382 A N 5.547 128.117 122.820 -0.416 0.000 2.498 382 A HA 1.033 5.353 4.320 -0.000 0.000 0.298 382 A C -0.676 176.960 177.584 0.086 0.000 1.075 382 A CA -0.922 50.947 52.037 -0.279 0.000 0.714 382 A CB 2.120 20.744 19.000 -0.626 0.000 1.299 382 A HN 0.983 nan 8.150 nan 0.000 0.407 383 R N 0.485 121.014 120.500 0.049 0.000 2.854 383 R HA 0.763 5.102 4.340 -0.000 0.000 0.271 383 R C -0.760 175.232 176.300 -0.513 0.000 0.994 383 R CA -0.807 55.155 56.100 -0.230 0.000 0.945 383 R CB 0.944 30.960 30.300 -0.473 0.000 1.194 383 R HN 0.599 nan 8.270 nan 0.000 0.476 384 R N 0.995 120.936 120.500 -0.932 0.000 2.590 384 R HA 0.069 4.408 4.340 -0.000 0.000 0.274 384 R C -0.560 175.394 176.300 -0.576 0.000 1.061 384 R CA -0.071 55.382 56.100 -1.078 0.000 1.081 384 R CB 0.357 30.108 30.300 -0.914 0.000 0.984 384 R HN 0.491 nan 8.270 nan 0.000 0.448 385 W N 2.610 123.556 121.300 -0.591 0.000 2.347 385 W HA 0.003 4.663 4.660 -0.000 0.000 0.333 385 W C 0.815 177.087 176.519 -0.412 0.000 1.383 385 W CA 0.226 57.315 57.345 -0.426 0.000 1.283 385 W CB 0.145 29.555 29.460 -0.085 0.000 1.253 385 W HN 0.594 nan 8.180 nan 0.000 0.563 386 Q N 1.504 121.186 119.800 -0.198 0.000 2.140 386 Q HA 0.086 4.426 4.340 -0.000 0.000 0.227 386 Q C -0.658 174.957 176.000 -0.642 0.000 0.798 386 Q CA 0.107 55.680 55.803 -0.384 0.000 0.987 386 Q CB 0.792 29.243 28.738 -0.479 0.000 1.161 386 Q HN 0.524 nan 8.270 nan 0.000 0.480 387 H N -2.283 116.805 119.070 0.030 0.000 2.961 387 H HA 0.223 4.779 4.556 -0.000 0.000 0.371 387 H C -0.367 175.023 175.328 0.104 0.000 1.190 387 H CA -0.717 55.373 56.048 0.071 0.000 1.138 387 H CB 0.883 30.741 29.762 0.160 0.000 1.816 387 H HN -0.121 nan 8.280 nan 0.000 0.551 388 F N -0.170 119.952 119.950 0.287 0.000 2.407 388 F HA -0.018 4.508 4.527 -0.000 0.000 0.299 388 F C 0.742 176.375 175.800 -0.278 0.000 1.097 388 F CA 0.806 58.832 58.000 0.044 0.000 1.422 388 F CB 0.215 39.179 39.000 -0.059 0.000 1.067 388 F HN 0.365 nan 8.300 nan 0.000 0.539 389 H N -0.203 119.035 119.070 0.279 0.000 2.708 389 H HA 0.420 4.976 4.556 -0.000 0.000 0.320 389 H C -0.881 174.455 175.328 0.014 0.000 0.991 389 H CA -0.717 55.358 56.048 0.045 0.000 1.243 389 H CB 0.834 30.617 29.762 0.034 0.000 1.446 389 H HN 0.037 nan 8.280 nan 0.000 0.502 390 F N 0.475 120.326 119.950 -0.164 0.000 2.713 390 F HA 0.539 5.066 4.527 -0.000 0.000 0.311 390 F C -1.853 173.751 175.800 -0.327 0.000 1.141 390 F CA -1.239 56.556 58.000 -0.342 0.000 0.939 390 F CB 1.180 39.851 39.000 -0.548 0.000 1.325 390 F HN 0.210 nan 8.300 nan 0.000 0.453 391 V N 1.854 121.696 119.914 -0.119 0.000 2.555 391 V HA 0.942 5.062 4.120 -0.000 0.000 0.302 391 V C -0.909 175.199 176.094 0.024 0.000 1.038 391 V CA -0.126 62.096 62.300 -0.130 0.000 0.887 391 V CB 1.042 32.754 31.823 -0.185 0.000 0.991 391 V HN 1.501 nan 8.190 nan 0.000 0.434 392 A N 5.110 127.979 122.820 0.081 0.000 2.401 392 A HA 0.929 5.248 4.320 -0.000 0.000 0.310 392 A C -0.709 176.861 177.584 -0.024 0.000 1.075 392 A CA -0.622 51.440 52.037 0.043 0.000 0.746 392 A CB 1.784 20.940 19.000 0.261 0.000 1.277 392 A HN 0.976 nan 8.150 nan 0.000 0.425 393 E N 0.133 120.241 120.200 -0.154 0.000 2.354 393 E HA 0.558 4.908 4.350 -0.000 0.000 0.283 393 E C -1.375 175.247 176.600 0.037 0.000 0.938 393 E CA -0.297 56.140 56.400 0.061 0.000 0.777 393 E CB 2.131 31.929 29.700 0.165 0.000 1.222 393 E HN 0.694 nan 8.360 nan 0.000 0.423 394 T N 2.097 116.756 114.554 0.174 0.000 2.865 394 T HA 0.533 4.883 4.350 -0.000 0.000 0.294 394 T C -1.744 172.915 174.700 -0.069 0.000 1.119 394 T CA -0.690 61.459 62.100 0.082 0.000 1.007 394 T CB 1.425 70.578 68.868 0.475 0.000 1.225 394 T HN 0.366 nan 8.240 nan 0.000 0.515 395 K N 2.432 122.648 120.400 -0.307 0.000 2.613 395 K HA 0.673 4.993 4.320 -0.000 0.000 0.248 395 K C -1.992 174.554 176.600 -0.089 0.000 0.959 395 K CA -0.676 55.361 56.287 -0.418 0.000 0.855 395 K CB 1.693 33.640 32.500 -0.921 0.000 1.143 395 K HN 0.408 nan 8.250 nan 0.000 0.437 396 V N 2.687 122.614 119.914 0.022 0.000 2.709 396 V HA 0.544 4.663 4.120 -0.000 0.000 0.308 396 V C -1.370 174.736 176.094 0.020 0.000 1.062 396 V CA -0.378 61.880 62.300 -0.069 0.000 0.901 396 V CB 2.039 33.600 31.823 -0.436 0.000 1.003 396 V HN 0.823 nan 8.190 nan 0.000 0.425 397 S N 6.731 122.396 115.700 -0.060 0.000 2.433 397 S HA 0.803 5.273 4.470 -0.000 0.000 0.310 397 S C -1.303 173.255 174.600 -0.071 0.000 1.097 397 S CA -0.379 57.700 58.200 -0.202 0.000 1.103 397 S CB 0.678 63.620 63.200 -0.430 0.000 0.992 397 S HN 0.912 nan 8.310 nan 0.000 0.469 398 F N 4.577 124.373 119.950 -0.257 0.000 2.622 398 F HA 0.525 5.052 4.527 -0.000 0.000 0.318 398 F C -1.101 174.584 175.800 -0.192 0.000 1.135 398 F CA -0.718 57.135 58.000 -0.246 0.000 1.015 398 F CB 1.461 40.340 39.000 -0.202 0.000 1.275 398 F HN 0.559 nan 8.300 nan 0.000 0.457 399 R N 5.956 125.963 120.500 -0.821 0.000 2.494 399 R HA 0.328 4.668 4.340 -0.000 0.000 0.284 399 R C -2.912 172.870 176.300 -0.863 0.000 1.525 399 R CA -1.672 54.038 56.100 -0.651 0.000 1.460 399 R CB 1.122 31.177 30.300 -0.409 0.000 1.134 399 R HN 0.313 nan 8.270 nan 0.000 0.592 400 P HA 0.085 nan 4.420 nan 0.000 0.275 400 P C 0.652 177.705 177.300 -0.412 0.000 1.228 400 P CA 0.022 62.736 63.100 -0.644 0.000 0.786 400 P CB 1.003 32.535 31.700 -0.279 0.000 0.927 401 T N -2.243 111.999 114.554 -0.520 0.000 3.001 401 T HA 0.179 4.529 4.350 -0.000 0.000 0.251 401 T C 0.571 174.474 174.700 -1.329 0.000 1.040 401 T CA 0.168 61.779 62.100 -0.815 0.000 0.985 401 T CB -0.085 68.449 68.868 -0.557 0.000 1.011 401 T HN 0.548 nan 8.240 nan 0.000 0.509 402 T N 0.428 114.516 114.554 -0.778 0.000 2.868 402 T HA 0.479 4.829 4.350 -0.000 0.000 0.306 402 T C -0.147 174.538 174.700 -0.025 0.000 1.224 402 T CA -0.840 60.880 62.100 -0.635 0.000 1.012 402 T CB 0.911 69.384 68.868 -0.659 0.000 1.221 402 T HN 0.104 nan 8.240 nan 0.000 0.499 403 F N 1.140 121.290 119.950 0.334 0.000 2.546 403 F HA 0.199 4.726 4.527 -0.000 0.000 0.298 403 F C 1.903 177.805 175.800 0.170 0.000 1.120 403 F CA 0.436 58.607 58.000 0.285 0.000 1.456 403 F CB -0.792 38.361 39.000 0.254 0.000 1.088 403 F HN 0.542 nan 8.300 nan 0.000 0.572 404 Q N 0.358 120.142 119.800 -0.026 0.000 2.472 404 Q HA 0.059 4.399 4.340 -0.000 0.000 0.208 404 Q C 0.046 176.100 176.000 0.090 0.000 0.958 404 Q CA 0.440 56.274 55.803 0.050 0.000 0.932 404 Q CB 0.011 28.692 28.738 -0.094 0.000 1.007 404 Q HN 0.599 nan 8.270 nan 0.000 0.508 405 Q N 0.183 120.056 119.800 0.121 0.000 2.337 405 Q HA 0.428 4.767 4.340 -0.000 0.000 0.266 405 Q C -0.890 175.312 176.000 0.338 0.000 1.023 405 Q CA -0.538 55.392 55.803 0.212 0.000 0.829 405 Q CB 2.254 31.094 28.738 0.171 0.000 1.306 405 Q HN 0.048 nan 8.270 nan 0.000 0.449 406 S N 0.086 115.979 115.700 0.320 0.000 2.570 406 S HA 0.923 5.393 4.470 -0.000 0.000 0.270 406 S C -1.504 173.000 174.600 -0.161 0.000 1.149 406 S CA -0.800 57.541 58.200 0.235 0.000 0.837 406 S CB 2.007 65.293 63.200 0.143 0.000 1.124 406 S HN 0.714 nan 8.310 nan 0.000 0.465 407 A N 0.394 123.017 122.820 -0.328 0.000 2.520 407 A HA 1.035 5.355 4.320 -0.000 0.000 0.298 407 A C 0.015 177.563 177.584 -0.059 0.000 1.051 407 A CA -0.267 51.498 52.037 -0.452 0.000 0.690 407 A CB 1.172 19.389 19.000 -1.304 0.000 1.281 407 A HN 2.231 nan 8.150 nan 0.000 0.402 408 G N -0.586 108.309 108.800 0.158 0.000 2.430 408 G HA2 0.594 4.553 3.960 -0.000 0.000 0.300 408 G HA3 0.594 4.553 3.960 -0.000 0.000 0.300 408 G C -2.159 172.950 174.900 0.348 0.000 1.330 408 G CA -0.464 44.774 45.100 0.231 0.000 0.813 408 G HN 1.570 nan 8.290 nan 0.000 0.487 409 L N 0.693 122.123 121.223 0.345 0.000 2.282 409 L HA 0.793 5.133 4.340 -0.000 0.000 0.288 409 L C -0.478 176.642 176.870 0.417 0.000 1.033 409 L CA -0.633 54.474 54.840 0.444 0.000 0.807 409 L CB 1.508 43.877 42.059 0.516 0.000 1.209 409 L HN 0.423 nan 8.230 nan 0.000 0.423 410 V N 4.613 124.807 119.914 0.467 0.000 2.656 410 V HA 0.541 4.661 4.120 -0.000 0.000 0.307 410 V C -0.483 175.975 176.094 0.606 0.000 1.051 410 V CA -0.886 61.667 62.300 0.422 0.000 0.893 410 V CB 1.874 33.769 31.823 0.121 0.000 0.999 410 V HN 0.749 nan 8.190 nan 0.000 0.426 411 N N 2.919 121.981 118.700 0.604 0.000 2.424 411 N HA 0.466 5.206 4.740 -0.000 0.000 0.271 411 N C -1.634 174.211 175.510 0.558 0.000 0.985 411 N CA -0.266 53.148 53.050 0.606 0.000 0.921 411 N CB 2.357 41.143 38.487 0.498 0.000 1.149 411 N HN 0.824 nan 8.380 nan 0.000 0.492 412 Y N 2.158 122.696 120.300 0.396 0.000 2.421 412 Y HA 0.184 4.733 4.550 -0.000 0.000 0.339 412 Y C -0.589 175.506 175.900 0.325 0.000 0.996 412 Y CA -0.657 57.695 58.100 0.420 0.000 1.046 412 Y CB 1.244 40.036 38.460 0.554 0.000 1.226 412 Y HN 0.521 nan 8.280 nan 0.000 0.445 413 Y N 4.300 124.506 120.300 -0.156 0.000 2.333 413 Y HA 0.240 4.790 4.550 -0.000 0.000 0.287 413 Y C -0.030 175.666 175.900 -0.339 0.000 1.149 413 Y CA 1.075 59.081 58.100 -0.157 0.000 1.193 413 Y CB 0.433 38.785 38.460 -0.179 0.000 1.175 413 Y HN 0.762 nan 8.280 nan 0.000 0.518 414 N N -2.466 115.972 118.700 -0.437 0.000 3.204 414 N HA 0.103 4.843 4.740 -0.000 0.000 0.285 414 N C 0.395 175.626 175.510 -0.465 0.000 1.536 414 N CA 0.161 52.936 53.050 -0.459 0.000 0.832 414 N CB 0.374 38.823 38.487 -0.062 0.000 1.645 414 N HN 0.036 nan 8.380 nan 0.000 0.586 415 T N -3.045 111.494 114.554 -0.025 0.000 2.897 415 T HA -0.172 4.177 4.350 -0.000 0.000 0.271 415 T C 0.832 175.707 174.700 0.292 0.000 1.084 415 T CA 1.435 63.670 62.100 0.225 0.000 1.123 415 T CB -0.381 68.590 68.868 0.171 0.000 0.865 415 T HN 0.599 nan 8.240 nan 0.000 0.496 416 Q N 0.391 120.216 119.800 0.042 0.000 2.217 416 Q HA 0.264 4.604 4.340 -0.000 0.000 0.217 416 Q C -0.311 175.482 176.000 -0.346 0.000 0.844 416 Q CA -0.094 55.646 55.803 -0.105 0.000 0.957 416 Q CB 0.610 29.278 28.738 -0.116 0.000 1.127 416 Q HN 0.508 nan 8.270 nan 0.000 0.503 417 N N 1.120 119.628 118.700 -0.319 0.000 2.558 417 N HA 0.230 4.970 4.740 -0.000 0.000 0.285 417 N C -1.518 173.894 175.510 -0.163 0.000 1.112 417 N CA -0.166 52.680 53.050 -0.339 0.000 0.857 417 N CB 1.557 39.885 38.487 -0.266 0.000 1.376 417 N HN 0.163 nan 8.380 nan 0.000 0.526 418 W N 0.193 121.448 121.300 -0.075 0.000 3.173 418 W HA 0.398 5.058 4.660 -0.000 0.000 0.313 418 W C -1.274 175.284 176.519 0.064 0.000 1.228 418 W CA -0.873 56.477 57.345 0.009 0.000 1.185 418 W CB 0.453 29.940 29.460 0.044 0.000 1.390 418 W HN 0.240 nan 8.180 nan 0.000 0.568 419 T N -0.711 114.162 114.554 0.532 0.000 2.901 419 T HA 0.753 5.102 4.350 -0.000 0.000 0.293 419 T C -1.143 173.820 174.700 0.437 0.000 1.084 419 T CA -0.623 61.716 62.100 0.399 0.000 1.008 419 T CB 2.558 71.483 68.868 0.095 0.000 1.170 419 T HN 0.745 nan 8.240 nan 0.000 0.509 420 T N 0.888 115.557 114.554 0.192 0.000 2.942 420 T HA 0.527 4.877 4.350 -0.000 0.000 0.327 420 T C -2.100 172.395 174.700 -0.343 0.000 1.360 420 T CA -0.701 61.406 62.100 0.011 0.000 1.055 420 T CB 1.499 70.380 68.868 0.023 0.000 1.261 420 T HN 0.823 nan 8.240 nan 0.000 0.485 421 L N 5.684 126.609 121.223 -0.498 0.000 2.262 421 L HA 0.670 5.009 4.340 -0.000 0.000 0.288 421 L C -0.330 176.525 176.870 -0.026 0.000 1.035 421 L CA 0.130 54.770 54.840 -0.334 0.000 0.820 421 L CB 0.719 42.576 42.059 -0.337 0.000 1.204 421 L HN 0.796 nan 8.230 nan 0.000 0.424 422 Q N 4.229 124.036 119.800 0.012 0.000 2.421 422 Q HA 0.662 5.002 4.340 -0.000 0.000 0.280 422 Q C -1.349 174.715 176.000 0.108 0.000 1.085 422 Q CA -0.945 54.901 55.803 0.071 0.000 0.807 422 Q CB 2.141 30.909 28.738 0.050 0.000 1.405 422 Q HN 0.597 nan 8.270 nan 0.000 0.419 423 I N 1.636 122.301 120.570 0.157 0.000 2.353 423 I HA 0.476 4.646 4.170 -0.000 0.000 0.293 423 I C 0.068 176.378 176.117 0.322 0.000 0.992 423 I CA -0.181 61.259 61.300 0.234 0.000 1.268 423 I CB 1.788 39.983 38.000 0.325 0.000 1.387 423 I HN 0.820 nan 8.210 nan 0.000 0.478 424 T N 4.163 118.880 114.554 0.271 0.000 2.618 424 T HA 0.461 4.811 4.350 -0.000 0.000 0.293 424 T C -2.251 172.634 174.700 0.309 0.000 1.093 424 T CA -0.522 61.767 62.100 0.316 0.000 1.061 424 T CB 1.156 70.198 68.868 0.289 0.000 1.498 424 T HN 0.542 nan 8.240 nan 0.000 0.494 425 W N 1.637 123.017 121.300 0.133 0.000 2.785 425 W HA 0.661 5.321 4.660 -0.000 0.000 0.333 425 W C -1.265 175.380 176.519 0.210 0.000 1.062 425 W CA -0.530 56.879 57.345 0.107 0.000 1.233 425 W CB 1.064 30.532 29.460 0.012 0.000 1.413 425 W HN 0.685 nan 8.180 nan 0.000 0.489 426 H N 3.818 122.472 119.070 -0.694 0.000 2.538 426 H HA 0.196 4.751 4.556 -0.000 0.000 0.353 426 H C 0.431 174.980 175.328 -1.298 0.000 1.109 426 H CA -0.241 55.419 56.048 -0.647 0.000 1.192 426 H CB 2.157 31.713 29.762 -0.343 0.000 1.555 426 H HN 0.625 nan 8.280 nan 0.000 0.518 427 E N 2.511 121.978 120.200 -1.222 0.000 2.085 427 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 427 E C 1.310 177.639 176.600 -0.451 0.000 0.994 427 E CA 1.921 57.845 56.400 -0.794 0.000 0.801 427 E CB 0.297 29.817 29.700 -0.300 0.000 0.743 427 E HN 0.718 nan 8.360 nan 0.000 0.453 428 E N -0.096 119.947 120.200 -0.262 0.000 2.127 428 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 428 E C 1.668 178.256 176.600 -0.019 0.000 0.964 428 E CA 0.591 56.974 56.400 -0.028 0.000 0.832 428 E CB 0.156 29.912 29.700 0.093 0.000 0.790 428 E HN 0.060 nan 8.360 nan 0.000 0.465 429 K N 0.064 120.500 120.400 0.061 0.000 2.356 429 K HA 0.153 4.473 4.320 -0.000 0.000 0.195 429 K C 0.911 177.413 176.600 -0.164 0.000 1.037 429 K CA 0.396 56.637 56.287 -0.078 0.000 1.014 429 K CB 0.894 33.293 32.500 -0.168 0.000 0.815 429 K HN 0.183 nan 8.250 nan 0.000 0.507 430 G N 2.337 110.920 108.800 -0.363 0.000 2.528 430 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.262 430 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.262 430 G C -0.591 174.138 174.900 -0.285 0.000 1.200 430 G CA -0.035 44.792 45.100 -0.456 0.000 0.951 430 G HN 0.374 nan 8.290 nan 0.000 0.566 431 R N 0.957 121.430 120.500 -0.046 0.000 2.473 431 R HA 0.390 4.730 4.340 -0.000 0.000 0.315 431 R C 0.718 177.016 176.300 -0.004 0.000 0.972 431 R CA 0.802 56.920 56.100 0.030 0.000 1.047 431 R CB -0.644 29.670 30.300 0.022 0.000 0.932 431 R HN 0.812 nan 8.270 nan 0.000 0.411 432 I N 1.262 121.850 120.570 0.031 0.000 2.892 432 I HA 0.496 4.666 4.170 -0.000 0.000 0.306 432 I C -1.495 174.652 176.117 0.052 0.000 1.078 432 I CA -1.596 59.713 61.300 0.015 0.000 1.032 432 I CB 1.707 39.689 38.000 -0.030 0.000 1.229 432 I HN 0.364 nan 8.210 nan 0.000 0.435 433 L N 3.396 124.626 121.223 0.012 0.000 2.307 433 L HA 0.626 4.966 4.340 -0.000 0.000 0.284 433 L C -0.437 176.416 176.870 -0.028 0.000 1.023 433 L CA 0.344 55.181 54.840 -0.006 0.000 0.810 433 L CB 1.246 43.242 42.059 -0.105 0.000 1.231 433 L HN 0.945 nan 8.230 nan 0.000 0.423 434 E N 4.158 124.364 120.200 0.009 0.000 2.446 434 E HA 0.597 4.946 4.350 -0.000 0.000 0.276 434 E C -1.630 174.983 176.600 0.021 0.000 0.969 434 E CA -1.012 55.399 56.400 0.018 0.000 0.800 434 E CB 1.646 31.373 29.700 0.044 0.000 1.341 434 E HN 0.490 nan 8.360 nan 0.000 0.460 435 L N 1.236 122.489 121.223 0.050 0.000 2.325 435 L HA 0.615 4.955 4.340 -0.000 0.000 0.278 435 L C -0.328 176.610 176.870 0.113 0.000 1.023 435 L CA -0.839 54.039 54.840 0.063 0.000 0.811 435 L CB 1.712 43.879 42.059 0.180 0.000 1.249 435 L HN 0.623 nan 8.230 nan 0.000 0.431 436 M N 2.614 122.294 119.600 0.132 0.000 2.378 436 M HA 0.509 4.989 4.480 -0.000 0.000 0.289 436 M C -1.027 175.420 176.300 0.245 0.000 1.136 436 M CA -0.236 55.191 55.300 0.211 0.000 0.917 436 M CB 2.428 35.199 32.600 0.285 0.000 1.669 436 M HN 0.679 nan 8.290 nan 0.000 0.461 437 T N 0.590 115.209 114.554 0.108 0.000 2.907 437 T HA 0.733 5.082 4.350 -0.000 0.000 0.292 437 T C -1.310 173.104 174.700 -0.476 0.000 1.043 437 T CA -0.768 61.290 62.100 -0.070 0.000 1.003 437 T CB 1.684 70.597 68.868 0.076 0.000 1.084 437 T HN 0.859 nan 8.240 nan 0.000 0.483 438 C N 2.852 121.629 119.300 -0.873 0.000 2.516 438 C HA 0.725 5.185 4.460 -0.000 0.000 0.338 438 C C -1.642 172.979 174.990 -0.614 0.000 1.132 438 C CA -0.454 57.969 59.018 -0.992 0.000 1.310 438 C CB 0.354 26.863 27.740 -2.052 0.000 1.898 438 C HN 1.045 nan 8.230 nan 0.000 0.452 439 D N 3.480 123.694 120.400 -0.310 0.000 2.473 439 D HA 0.334 4.973 4.640 -0.000 0.000 0.253 439 D C 0.089 176.379 176.300 -0.017 0.000 1.233 439 D CA -0.041 53.893 54.000 -0.111 0.000 0.908 439 D CB 0.275 41.098 40.800 0.038 0.000 1.170 439 D HN 0.831 nan 8.370 nan 0.000 0.558 440 H N 2.934 121.924 119.070 -0.134 0.000 2.713 440 H HA -0.224 4.332 4.556 -0.000 0.000 0.311 440 H C 1.212 176.482 175.328 -0.096 0.000 1.175 440 H CA 0.753 56.731 56.048 -0.116 0.000 1.143 440 H CB -0.934 28.754 29.762 -0.124 0.000 1.434 440 H HN 0.412 nan 8.280 nan 0.000 0.418 441 L N -3.197 117.974 121.223 -0.086 0.000 3.803 441 L HA -0.223 4.117 4.340 -0.000 0.000 0.407 441 L C -0.073 176.758 176.870 -0.065 0.000 0.735 441 L CA 1.410 56.215 54.840 -0.059 0.000 2.621 441 L CB -0.812 41.251 42.059 0.006 0.000 1.075 441 L HN 0.181 nan 8.230 nan 0.000 0.644 442 V N 1.396 121.272 119.914 -0.063 0.000 2.439 442 V HA 0.328 4.448 4.120 -0.000 0.000 0.271 442 V C 0.643 176.671 176.094 -0.109 0.000 1.040 442 V CA -0.128 62.139 62.300 -0.054 0.000 1.002 442 V CB 1.108 32.919 31.823 -0.021 0.000 1.000 442 V HN 0.057 nan 8.190 nan 0.000 0.477 443 V N 4.629 124.495 119.914 -0.080 0.000 2.472 443 V HA 0.486 4.606 4.120 -0.000 0.000 0.290 443 V C -0.211 175.864 176.094 -0.032 0.000 1.037 443 V CA -0.344 61.902 62.300 -0.089 0.000 0.908 443 V CB 1.857 33.669 31.823 -0.018 0.000 0.985 443 V HN 0.979 nan 8.190 nan 0.000 0.454 444 D N 2.723 123.111 120.400 -0.021 0.000 2.601 444 D HA 0.472 5.112 4.640 -0.000 0.000 0.230 444 D C -0.839 175.496 176.300 0.058 0.000 1.106 444 D CA -0.530 53.482 54.000 0.021 0.000 0.873 444 D CB 2.262 43.075 40.800 0.023 0.000 1.515 444 D HN 0.513 nan 8.370 nan 0.000 0.468 445 Q N 2.441 122.277 119.800 0.059 0.000 2.674 445 Q HA 0.299 4.639 4.340 -0.000 0.000 0.249 445 Q C -1.880 174.158 176.000 0.063 0.000 1.011 445 Q CA -1.599 54.249 55.803 0.075 0.000 0.734 445 Q CB 2.082 30.858 28.738 0.065 0.000 1.201 445 Q HN 0.263 nan 8.270 nan 0.000 0.498 446 P HA -0.130 nan 4.420 nan 0.000 0.225 446 P C 0.351 177.674 177.300 0.039 0.000 1.148 446 P CA 0.787 63.920 63.100 0.054 0.000 0.779 446 P CB 0.369 32.112 31.700 0.071 0.000 0.780 447 L N -1.238 120.015 121.223 0.050 0.000 2.741 447 L HA 0.192 4.532 4.340 -0.000 0.000 0.237 447 L C 1.023 177.895 176.870 0.004 0.000 1.178 447 L CA -0.432 54.425 54.840 0.027 0.000 0.973 447 L CB -1.103 40.975 42.059 0.032 0.000 1.255 447 L HN -0.128 nan 8.230 nan 0.000 0.498 448 R N 0.717 121.223 120.500 0.010 0.000 2.526 448 R HA 0.070 4.410 4.340 -0.000 0.000 0.319 448 R C 1.263 177.551 176.300 -0.021 0.000 0.888 448 R CA 1.214 57.313 56.100 -0.002 0.000 1.127 448 R CB -0.229 30.076 30.300 0.007 0.000 0.888 448 R HN 0.506 nan 8.270 nan 0.000 0.410 449 G N 4.101 112.871 108.800 -0.050 0.000 2.234 449 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.260 449 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.260 449 G C 0.404 175.261 174.900 -0.072 0.000 0.987 449 G CA 0.558 45.618 45.100 -0.065 0.000 0.625 449 G HN 0.726 nan 8.290 nan 0.000 0.532 450 R N 0.127 120.593 120.500 -0.057 0.000 2.668 450 R HA 0.533 4.873 4.340 -0.000 0.000 0.435 450 R C -0.248 176.027 176.300 -0.042 0.000 1.059 450 R CA -0.427 55.648 56.100 -0.041 0.000 1.073 450 R CB 0.300 30.592 30.300 -0.013 0.000 1.401 450 R HN 0.291 nan 8.270 nan 0.000 0.590 451 E N 1.150 121.304 120.200 -0.077 0.000 2.436 451 E HA 0.051 4.400 4.350 -0.000 0.000 0.262 451 E C -0.391 176.169 176.600 -0.066 0.000 1.063 451 E CA -0.006 56.350 56.400 -0.073 0.000 0.944 451 E CB 0.584 30.222 29.700 -0.104 0.000 0.950 451 E HN 0.171 nan 8.360 nan 0.000 0.444 452 I N 2.284 122.810 120.570 -0.074 0.000 2.379 452 I HA 0.007 4.177 4.170 -0.000 0.000 0.290 452 I C -0.518 175.595 176.117 -0.007 0.000 1.063 452 I CA -0.016 61.246 61.300 -0.063 0.000 1.351 452 I CB 0.555 38.395 38.000 -0.267 0.000 1.410 452 I HN 0.204 nan 8.210 nan 0.000 0.505 453 V N 7.765 127.694 119.914 0.025 0.000 2.521 453 V HA 0.098 4.218 4.120 -0.000 0.000 0.286 453 V C 0.266 176.385 176.094 0.042 0.000 1.034 453 V CA -0.493 61.812 62.300 0.009 0.000 1.045 453 V CB 0.991 32.808 31.823 -0.011 0.000 0.974 453 V HN 0.371 nan 8.190 nan 0.000 0.480 454 V N 8.284 128.180 119.914 -0.030 0.000 2.364 454 V HA 0.262 4.381 4.120 -0.000 0.000 0.272 454 V C -1.974 173.976 176.094 -0.240 0.000 1.036 454 V CA -1.741 60.440 62.300 -0.198 0.000 0.880 454 V CB 1.043 32.794 31.823 -0.121 0.000 0.991 454 V HN 0.781 nan 8.190 nan 0.000 0.460 455 P HA 0.005 nan 4.420 nan 0.000 0.266 455 P C 0.812 177.999 177.300 -0.189 0.000 1.195 455 P CA 0.081 63.051 63.100 -0.218 0.000 0.768 455 P CB 0.634 32.197 31.700 -0.228 0.000 0.838 456 D N 1.721 122.051 120.400 -0.115 0.000 2.219 456 D HA -0.167 4.473 4.640 -0.000 0.000 0.205 456 D C 0.767 177.011 176.300 -0.093 0.000 0.970 456 D CA 0.962 54.906 54.000 -0.093 0.000 0.851 456 D CB 0.085 40.849 40.800 -0.060 0.000 0.943 456 D HN 0.508 nan 8.370 nan 0.000 0.488 457 D N 0.026 120.372 120.400 -0.089 0.000 2.336 457 D HA -0.088 4.552 4.640 -0.000 0.000 0.229 457 D C 0.477 176.736 176.300 -0.068 0.000 1.061 457 D CA -0.165 53.797 54.000 -0.064 0.000 0.875 457 D CB 0.145 40.921 40.800 -0.040 0.000 0.904 457 D HN 0.125 nan 8.370 nan 0.000 0.525 458 I N 2.025 122.524 120.570 -0.118 0.000 2.297 458 I HA 0.097 4.266 4.170 -0.000 0.000 0.291 458 I C 1.413 177.478 176.117 -0.087 0.000 1.033 458 I CA -0.406 60.832 61.300 -0.103 0.000 1.253 458 I CB 1.179 39.017 38.000 -0.269 0.000 1.396 458 I HN 0.043 nan 8.210 nan 0.000 0.476 459 E N 5.497 125.665 120.200 -0.053 0.000 2.076 459 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 459 E C -0.482 175.907 176.600 -0.350 0.000 0.979 459 E CA 1.097 57.368 56.400 -0.215 0.000 0.807 459 E CB 0.391 29.956 29.700 -0.225 0.000 0.761 459 E HN 0.501 nan 8.360 nan 0.000 0.454 460 Y N -0.243 120.085 120.300 0.046 0.000 2.350 460 Y HA 0.343 4.893 4.550 -0.000 0.000 0.338 460 Y C -0.604 175.350 175.900 0.090 0.000 0.961 460 Y CA -0.962 57.133 58.100 -0.009 0.000 1.100 460 Y CB 2.040 40.414 38.460 -0.144 0.000 1.179 460 Y HN -0.278 nan 8.280 nan 0.000 0.454 461 V N 4.342 124.401 119.914 0.242 0.000 2.394 461 V HA 0.283 4.403 4.120 -0.000 0.000 0.282 461 V C -0.820 175.416 176.094 0.236 0.000 1.031 461 V CA -1.158 61.364 62.300 0.371 0.000 0.881 461 V CB 0.490 32.525 31.823 0.354 0.000 0.982 461 V HN 0.597 nan 8.190 nan 0.000 0.451 462 Y N 5.128 125.555 120.300 0.212 0.000 2.326 462 Y HA 0.621 5.171 4.550 -0.000 0.000 0.337 462 Y C 0.119 176.227 175.900 0.346 0.000 1.023 462 Y CA -0.585 57.632 58.100 0.196 0.000 1.143 462 Y CB 1.144 39.581 38.460 -0.039 0.000 1.183 462 Y HN 0.417 nan 8.280 nan 0.000 0.485 463 L N 5.073 126.635 121.223 0.565 0.000 2.333 463 L HA 0.648 4.988 4.340 -0.000 0.000 0.280 463 L C -0.391 176.821 176.870 0.570 0.000 1.004 463 L CA -0.809 54.369 54.840 0.564 0.000 0.820 463 L CB 2.036 44.359 42.059 0.439 0.000 1.247 463 L HN 0.581 nan 8.230 nan 0.000 0.416 464 R N 2.430 123.267 120.500 0.560 0.000 2.628 464 R HA 0.730 5.070 4.340 -0.000 0.000 0.288 464 R C -2.009 174.450 176.300 0.265 0.000 0.980 464 R CA -0.547 55.727 56.100 0.291 0.000 0.891 464 R CB 2.740 33.000 30.300 -0.066 0.000 1.188 464 R HN 0.429 nan 8.270 nan 0.000 0.450 465 V N 3.564 123.543 119.914 0.109 0.000 2.495 465 V HA 0.487 4.607 4.120 -0.000 0.000 0.298 465 V C -0.970 175.005 176.094 -0.198 0.000 1.031 465 V CA -0.226 62.016 62.300 -0.097 0.000 0.871 465 V CB 2.190 33.876 31.823 -0.228 0.000 0.988 465 V HN 0.896 nan 8.190 nan 0.000 0.432 466 T N 6.197 120.624 114.554 -0.211 0.000 2.772 466 T HA 0.505 4.855 4.350 -0.000 0.000 0.288 466 T C -0.480 174.017 174.700 -0.339 0.000 0.994 466 T CA -0.300 61.633 62.100 -0.279 0.000 0.951 466 T CB 1.237 70.002 68.868 -0.173 0.000 0.933 466 T HN 0.433 nan 8.240 nan 0.000 0.447 467 V N 4.855 124.367 119.914 -0.670 0.000 2.370 467 V HA 0.351 4.470 4.120 -0.000 0.000 0.279 467 V C -0.086 175.761 176.094 -0.413 0.000 1.029 467 V CA -0.661 61.224 62.300 -0.692 0.000 0.870 467 V CB 1.391 32.256 31.823 -1.596 0.000 0.984 467 V HN 0.764 nan 8.190 nan 0.000 0.451 468 Q N 4.001 123.702 119.800 -0.166 0.000 2.788 468 Q HA 0.582 4.921 4.340 -0.000 0.000 0.261 468 Q C 0.747 176.684 176.000 -0.105 0.000 1.029 468 Q CA 0.336 56.104 55.803 -0.057 0.000 0.848 468 Q CB 1.415 30.197 28.738 0.073 0.000 1.185 468 Q HN 0.998 nan 8.270 nan 0.000 0.482 469 A N 1.666 124.307 122.820 -0.298 0.000 5.093 469 A HA -0.404 3.916 4.320 -0.000 0.000 0.329 469 A C 1.710 179.367 177.584 0.121 0.000 1.836 469 A CA 2.775 54.757 52.037 -0.091 0.000 0.707 469 A CB -2.134 16.783 19.000 -0.138 0.000 1.389 469 A HN 0.712 nan 8.150 nan 0.000 0.383 470 T N -1.786 112.830 114.554 0.103 0.000 2.995 470 T HA 0.333 4.683 4.350 -0.000 0.000 0.269 470 T C 0.942 175.755 174.700 0.188 0.000 1.091 470 T CA 2.296 64.490 62.100 0.157 0.000 1.128 470 T CB -0.961 67.968 68.868 0.102 0.000 0.891 470 T HN 2.299 nan 8.240 nan 0.000 0.492 471 T N -0.468 114.175 114.554 0.150 0.000 2.907 471 T HA 0.680 5.030 4.350 -0.000 0.000 0.290 471 T C -1.136 173.685 174.700 0.201 0.000 1.066 471 T CA -1.105 61.076 62.100 0.135 0.000 1.012 471 T CB 2.048 70.940 68.868 0.040 0.000 1.184 471 T HN 0.584 nan 8.240 nan 0.000 0.522 472 Y N -1.584 118.757 120.300 0.068 0.000 2.638 472 Y HA 0.856 5.406 4.550 -0.000 0.000 0.335 472 Y C -1.281 174.666 175.900 0.077 0.000 1.155 472 Y CA -1.327 56.763 58.100 -0.018 0.000 1.046 472 Y CB 1.659 40.055 38.460 -0.108 0.000 1.303 472 Y HN 0.918 nan 8.280 nan 0.000 0.460 473 K N 1.625 122.113 120.400 0.146 0.000 2.513 473 K HA 0.488 4.808 4.320 -0.000 0.000 0.251 473 K C -2.143 174.550 176.600 0.155 0.000 0.939 473 K CA -0.631 55.754 56.287 0.163 0.000 0.793 473 K CB 1.629 34.185 32.500 0.093 0.000 1.241 473 K HN 0.703 nan 8.250 nan 0.000 0.431 474 Y N 0.879 121.386 120.300 0.345 0.000 2.335 474 Y HA 0.393 4.943 4.550 -0.000 0.000 0.323 474 Y C 0.538 176.611 175.900 0.289 0.000 1.224 474 Y CA 0.209 58.498 58.100 0.315 0.000 1.241 474 Y CB 1.816 40.482 38.460 0.345 0.000 1.235 474 Y HN 0.625 nan 8.280 nan 0.000 0.492 475 S N 1.328 117.324 115.700 0.492 0.000 2.638 475 S HA 0.784 5.253 4.470 -0.000 0.000 0.274 475 S C -1.647 173.355 174.600 0.670 0.000 1.157 475 S CA -1.001 57.488 58.200 0.482 0.000 0.826 475 S CB 2.066 65.467 63.200 0.334 0.000 1.139 475 S HN 0.661 nan 8.310 nan 0.000 0.474 476 Y N -1.563 118.997 120.300 0.433 0.000 2.597 476 Y HA 0.878 5.428 4.550 -0.000 0.000 0.340 476 Y C -0.810 174.955 175.900 -0.225 0.000 1.097 476 Y CA -0.805 57.425 58.100 0.217 0.000 1.037 476 Y CB 1.368 39.864 38.460 0.060 0.000 1.305 476 Y HN 0.903 nan 8.280 nan 0.000 0.463 477 S N 0.938 116.309 115.700 -0.548 0.000 2.556 477 S HA 0.588 5.058 4.470 -0.000 0.000 0.271 477 S C -1.213 173.215 174.600 -0.287 0.000 1.135 477 S CA -0.599 57.058 58.200 -0.905 0.000 0.858 477 S CB 0.765 62.871 63.200 -1.823 0.000 1.114 477 S HN 0.616 nan 8.310 nan 0.000 0.468 478 F N 1.656 121.557 119.950 -0.081 0.000 2.731 478 F HA 0.269 4.796 4.527 -0.000 0.000 0.298 478 F C 1.496 177.353 175.800 0.095 0.000 1.106 478 F CA -0.105 57.968 58.000 0.122 0.000 1.329 478 F CB 0.248 39.316 39.000 0.114 0.000 1.100 478 F HN 0.673 nan 8.300 nan 0.000 0.592 479 D N -2.643 117.716 120.400 -0.069 0.000 2.514 479 D HA 0.232 4.872 4.640 -0.000 0.000 0.225 479 D C 1.779 177.761 176.300 -0.530 0.000 1.159 479 D CA 0.723 54.648 54.000 -0.126 0.000 0.823 479 D CB -0.037 40.724 40.800 -0.064 0.000 1.097 479 D HN 0.146 nan 8.370 nan 0.000 0.519 480 G N 0.546 108.581 108.800 -1.274 0.000 2.184 480 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.264 480 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.264 480 G C 0.884 175.497 174.900 -0.478 0.000 0.975 480 G CA 0.901 45.140 45.100 -1.434 0.000 0.642 480 G HN 0.387 nan 8.290 nan 0.000 0.536 481 M N -0.843 118.518 119.600 -0.398 0.000 2.669 481 M HA 0.227 4.707 4.480 -0.000 0.000 0.248 481 M C 0.276 176.526 176.300 -0.084 0.000 1.382 481 M CA 0.164 55.400 55.300 -0.106 0.000 1.158 481 M CB 0.386 32.948 32.600 -0.063 0.000 1.371 481 M HN 0.059 nan 8.290 nan 0.000 0.540 482 N N 0.381 118.908 118.700 -0.287 0.000 2.457 482 N HA 0.225 4.964 4.740 -0.000 0.000 0.250 482 N C -1.801 173.463 175.510 -0.411 0.000 0.982 482 N CA 0.001 52.924 53.050 -0.212 0.000 0.941 482 N CB 0.740 39.127 38.487 -0.166 0.000 1.120 482 N HN 0.091 nan 8.380 nan 0.000 0.505 483 W N 2.229 123.415 121.300 -0.189 0.000 2.551 483 W HA 0.578 5.238 4.660 -0.000 0.000 0.330 483 W C 0.316 176.669 176.519 -0.275 0.000 1.063 483 W CA -0.521 56.683 57.345 -0.235 0.000 1.222 483 W CB 1.256 30.636 29.460 -0.132 0.000 1.349 483 W HN 0.170 nan 8.180 nan 0.000 0.536 484 I N 3.150 123.585 120.570 -0.225 0.000 2.447 484 I HA 0.133 4.303 4.170 -0.000 0.000 0.287 484 I C -0.602 175.499 176.117 -0.028 0.000 1.023 484 I CA -1.025 60.127 61.300 -0.247 0.000 1.083 484 I CB 1.417 39.087 38.000 -0.550 0.000 1.245 484 I HN 0.189 nan 8.210 nan 0.000 0.434 485 D N 6.310 126.757 120.400 0.080 0.000 2.389 485 D HA 0.305 4.944 4.640 -0.000 0.000 0.247 485 D C -0.192 176.236 176.300 0.213 0.000 1.128 485 D CA 0.129 54.225 54.000 0.159 0.000 0.884 485 D CB 1.163 42.028 40.800 0.108 0.000 1.194 485 D HN 0.257 nan 8.370 nan 0.000 0.441 486 L N 4.610 126.006 121.223 0.288 0.000 2.319 486 L HA 0.243 4.583 4.340 -0.000 0.000 0.280 486 L C -1.529 175.449 176.870 0.180 0.000 1.099 486 L CA -1.457 53.544 54.840 0.269 0.000 0.828 486 L CB 0.831 43.088 42.059 0.330 0.000 1.150 486 L HN 0.235 nan 8.230 nan 0.000 0.442 487 P HA 0.077 nan 4.420 nan 0.000 0.237 487 P C -0.748 176.546 177.300 -0.010 0.000 1.723 487 P CA 0.167 63.296 63.100 0.049 0.000 0.882 487 P CB -0.054 31.670 31.700 0.040 0.000 1.810 488 V N -0.100 119.797 119.914 -0.028 0.000 2.577 488 V HA 0.315 4.435 4.120 -0.000 0.000 0.303 488 V C 0.225 176.126 176.094 -0.321 0.000 1.042 488 V CA -0.352 61.804 62.300 -0.240 0.000 0.872 488 V CB 2.246 33.844 31.823 -0.374 0.000 0.998 488 V HN 0.003 nan 8.190 nan 0.000 0.423 489 T N 5.438 119.765 114.554 -0.379 0.000 2.749 489 T HA 0.659 5.009 4.350 -0.000 0.000 0.287 489 T C -0.523 173.861 174.700 -0.526 0.000 0.970 489 T CA 0.016 61.932 62.100 -0.307 0.000 0.980 489 T CB 0.354 69.126 68.868 -0.160 0.000 0.924 489 T HN 0.292 nan 8.240 nan 0.000 0.456 490 F N 1.464 121.196 119.950 -0.364 0.000 2.440 490 F HA 0.441 4.968 4.527 -0.000 0.000 0.328 490 F C 1.040 176.542 175.800 -0.497 0.000 1.070 490 F CA -1.069 56.590 58.000 -0.568 0.000 1.011 490 F CB 1.152 39.476 39.000 -1.127 0.000 1.226 490 F HN 0.435 nan 8.300 nan 0.000 0.491 491 E N 0.199 120.331 120.200 -0.113 0.000 2.145 491 E HA 0.237 4.586 4.350 -0.000 0.000 0.270 491 E C 0.006 176.681 176.600 0.125 0.000 0.906 491 E CA -0.290 56.115 56.400 0.008 0.000 0.761 491 E CB 1.609 31.291 29.700 -0.030 0.000 1.116 491 E HN 0.558 nan 8.360 nan 0.000 0.408 492 S N 1.782 117.701 115.700 0.365 0.000 2.419 492 S HA -0.212 4.258 4.470 -0.000 0.000 0.233 492 S C 1.742 176.451 174.600 0.181 0.000 1.016 492 S CA 1.101 59.582 58.200 0.468 0.000 0.974 492 S CB -0.327 63.226 63.200 0.589 0.000 0.786 492 S HN 0.694 nan 8.310 nan 0.000 0.492 493 Y N 1.910 122.209 120.300 -0.001 0.000 2.333 493 Y HA 0.034 4.584 4.550 -0.000 0.000 0.290 493 Y C 1.568 177.232 175.900 -0.393 0.000 1.144 493 Y CA 0.948 58.934 58.100 -0.190 0.000 1.228 493 Y CB -0.525 37.644 38.460 -0.484 0.000 0.985 493 Y HN 0.047 nan 8.280 nan 0.000 0.542 494 K N 0.818 120.575 120.400 -1.072 0.000 2.439 494 K HA 0.077 4.396 4.320 -0.000 0.000 0.197 494 K C 0.667 177.033 176.600 -0.389 0.000 1.041 494 K CA 0.761 56.369 56.287 -1.132 0.000 0.970 494 K CB -0.066 31.840 32.500 -0.989 0.000 0.773 494 K HN 0.435 nan 8.250 nan 0.000 0.479 495 L N 1.311 122.394 121.223 -0.232 0.000 2.984 495 L HA 0.121 4.461 4.340 -0.000 0.000 0.246 495 L C 0.090 176.879 176.870 -0.135 0.000 1.268 495 L CA -0.491 54.255 54.840 -0.157 0.000 1.054 495 L CB 0.275 42.201 42.059 -0.222 0.000 1.393 495 L HN 0.003 nan 8.230 nan 0.000 0.532 496 S N -3.619 111.990 115.700 -0.152 0.000 2.578 496 S HA 0.339 4.809 4.470 -0.000 0.000 0.301 496 S C 0.479 174.937 174.600 -0.237 0.000 1.091 496 S CA -0.788 57.397 58.200 -0.025 0.000 1.032 496 S CB 2.210 65.564 63.200 0.257 0.000 1.064 496 S HN 0.046 nan 8.310 nan 0.000 0.508 497 D N 1.675 122.026 120.400 -0.081 0.000 2.133 497 D HA -0.156 4.484 4.640 -0.000 0.000 0.192 497 D C 1.001 177.274 176.300 -0.044 0.000 1.001 497 D CA 2.146 56.084 54.000 -0.103 0.000 0.844 497 D CB -0.529 40.293 40.800 0.037 0.000 0.944 497 D HN 0.809 nan 8.370 nan 0.000 0.447 498 D N -1.392 119.102 120.400 0.157 0.000 2.312 498 D HA -0.119 4.521 4.640 -0.000 0.000 0.211 498 D C 1.503 178.061 176.300 0.430 0.000 0.964 498 D CA 0.315 54.476 54.000 0.267 0.000 0.877 498 D CB -0.142 40.831 40.800 0.289 0.000 0.924 498 D HN 0.261 nan 8.370 nan 0.000 0.515 499 Y N 1.040 121.515 120.300 0.292 0.000 2.475 499 Y HA 0.112 4.662 4.550 -0.000 0.000 0.289 499 Y C 0.206 176.199 175.900 0.155 0.000 1.121 499 Y CA 0.044 58.303 58.100 0.265 0.000 1.257 499 Y CB 0.254 38.768 38.460 0.091 0.000 1.026 499 Y HN -0.186 nan 8.280 nan 0.000 0.555 500 I N 1.969 122.519 120.570 -0.033 0.000 2.452 500 I HA 0.022 4.192 4.170 -0.000 0.000 0.287 500 I C 1.109 177.236 176.117 0.018 0.000 1.079 500 I CA 0.081 61.346 61.300 -0.058 0.000 1.387 500 I CB 1.266 39.122 38.000 -0.241 0.000 1.404 500 I HN 0.074 nan 8.210 nan 0.000 0.522 501 K N 3.297 123.791 120.400 0.156 0.000 2.148 501 K HA -0.117 4.202 4.320 -0.000 0.000 0.204 501 K C 2.006 178.597 176.600 -0.015 0.000 1.050 501 K CA 1.279 57.532 56.287 -0.058 0.000 0.942 501 K CB -0.013 32.329 32.500 -0.263 0.000 0.724 501 K HN 0.770 nan 8.250 nan 0.000 0.446 502 S N 0.174 115.882 115.700 0.014 0.000 2.474 502 S HA -0.112 4.358 4.470 -0.000 0.000 0.235 502 S C 0.941 175.522 174.600 -0.032 0.000 0.997 502 S CA 0.733 58.932 58.200 -0.002 0.000 0.949 502 S CB -0.249 62.950 63.200 -0.001 0.000 0.766 502 S HN 0.303 nan 8.310 nan 0.000 0.517 503 R N -0.334 120.119 120.500 -0.079 0.000 3.995 503 R HA -0.210 4.130 4.340 -0.000 0.000 0.445 503 R C 0.487 176.583 176.300 -0.340 0.000 0.997 503 R CA 0.975 56.996 56.100 -0.132 0.000 1.513 503 R CB -2.401 27.891 30.300 -0.012 0.000 2.145 503 R HN 0.611 nan 8.270 nan 0.000 0.533 504 A N 1.154 123.791 122.820 -0.304 0.000 2.981 504 A HA 0.552 4.872 4.320 -0.000 0.000 0.280 504 A C 0.366 177.529 177.584 -0.702 0.000 1.743 504 A CA 0.689 52.405 52.037 -0.536 0.000 1.430 504 A CB -0.037 18.913 19.000 -0.083 0.000 1.085 504 A HN 0.398 nan 8.150 nan 0.000 0.597 505 A N 1.462 123.565 122.820 -1.194 0.000 2.815 505 A HA 0.669 4.989 4.320 -0.000 0.000 0.318 505 A C -0.556 176.644 177.584 -0.641 0.000 1.186 505 A CA -0.305 51.374 52.037 -0.595 0.000 0.754 505 A CB 0.120 18.913 19.000 -0.344 0.000 1.151 505 A HN 0.531 nan 8.150 nan 0.000 0.452 506 F N 0.538 120.261 119.950 -0.378 0.000 2.729 506 F HA 0.127 4.654 4.527 -0.000 0.000 0.315 506 F C 1.804 177.085 175.800 -0.866 0.000 1.102 506 F CA 0.599 58.148 58.000 -0.752 0.000 1.204 506 F CB 0.196 38.361 39.000 -1.392 0.000 1.052 506 F HN 0.522 nan 8.300 nan 0.000 0.551 507 T N -2.216 111.970 114.554 -0.613 0.000 3.074 507 T HA 0.794 5.144 4.350 -0.000 0.000 0.182 507 T C 0.858 175.069 174.700 -0.815 0.000 0.747 507 T CA 0.241 61.627 62.100 -1.191 0.000 1.884 507 T CB 0.302 68.461 68.868 -1.182 0.000 2.388 507 T HN 0.214 nan 8.240 nan 0.000 0.421 508 G N -0.040 108.314 108.800 -0.743 0.000 2.336 508 G HA2 0.540 4.500 3.960 -0.000 0.000 0.300 508 G HA3 0.540 4.500 3.960 -0.000 0.000 0.300 508 G C -1.250 173.494 174.900 -0.260 0.000 1.375 508 G CA -0.528 44.432 45.100 -0.233 0.000 0.885 508 G HN 0.898 nan 8.290 nan 0.000 0.599 509 A N -0.428 122.263 122.820 -0.215 0.000 2.401 509 A HA 0.785 5.105 4.320 -0.000 0.000 0.259 509 A C -0.694 176.676 177.584 -0.356 0.000 1.103 509 A CA 0.095 51.868 52.037 -0.440 0.000 0.789 509 A CB 0.049 18.236 19.000 -1.354 0.000 1.035 509 A HN 0.795 nan 8.150 nan 0.000 0.491 510 F N 0.684 120.518 119.950 -0.193 0.000 2.556 510 F HA 0.595 5.122 4.527 -0.000 0.000 0.327 510 F C 0.173 176.198 175.800 0.376 0.000 1.059 510 F CA -0.684 57.331 58.000 0.025 0.000 0.953 510 F CB 2.341 41.269 39.000 -0.120 0.000 1.227 510 F HN 0.422 nan 8.300 nan 0.000 0.478 511 V N 1.730 121.995 119.914 0.585 0.000 2.588 511 V HA 0.955 5.075 4.120 -0.000 0.000 0.304 511 V C -0.611 175.773 176.094 0.484 0.000 1.042 511 V CA 0.071 62.771 62.300 0.667 0.000 0.877 511 V CB 1.236 33.487 31.823 0.713 0.000 0.996 511 V HN 0.891 nan 8.190 nan 0.000 0.425 512 G N 5.220 114.328 108.800 0.513 0.000 2.619 512 G HA2 0.597 4.556 3.960 -0.000 0.000 0.305 512 G HA3 0.597 4.556 3.960 -0.000 0.000 0.305 512 G C -1.713 173.389 174.900 0.337 0.000 1.330 512 G CA -0.968 44.247 45.100 0.193 0.000 0.789 512 G HN 0.702 nan 8.290 nan 0.000 0.487 513 M N 1.055 120.657 119.600 0.004 0.000 2.383 513 M HA 0.475 4.954 4.480 -0.000 0.000 0.325 513 M C -0.860 175.464 176.300 0.041 0.000 1.092 513 M CA -0.782 54.404 55.300 -0.190 0.000 0.961 513 M CB 2.369 34.312 32.600 -1.096 0.000 1.672 513 M HN 0.624 nan 8.290 nan 0.000 0.438 514 H N 1.181 120.278 119.070 0.045 0.000 2.851 514 H HA 0.604 5.159 4.556 -0.000 0.000 0.372 514 H C -1.962 173.389 175.328 0.040 0.000 1.158 514 H CA -0.655 55.410 56.048 0.028 0.000 1.159 514 H CB 2.326 31.955 29.762 -0.222 0.000 1.757 514 H HN 0.877 nan 8.280 nan 0.000 0.546 515 C N 5.604 124.754 119.300 -0.250 0.000 2.551 515 C HA 0.548 5.007 4.460 -0.000 0.000 0.332 515 C C -0.706 174.177 174.990 -0.179 0.000 1.139 515 C CA -0.637 58.293 59.018 -0.147 0.000 1.328 515 C CB 0.720 28.381 27.740 -0.130 0.000 1.903 515 C HN 0.986 nan 8.230 nan 0.000 0.459 516 R N 3.558 124.066 120.500 0.013 0.000 2.514 516 R HA 0.597 4.937 4.340 -0.000 0.000 0.301 516 R C -1.439 174.915 176.300 0.089 0.000 0.962 516 R CA -0.140 56.002 56.100 0.070 0.000 0.882 516 R CB 1.265 31.656 30.300 0.152 0.000 1.143 516 R HN 0.757 nan 8.270 nan 0.000 0.452 517 D N 3.146 123.590 120.400 0.073 0.000 2.375 517 D HA 0.228 4.868 4.640 -0.000 0.000 0.259 517 D C 0.517 176.843 176.300 0.043 0.000 1.235 517 D CA -0.358 53.687 54.000 0.074 0.000 0.924 517 D CB 1.407 42.255 40.800 0.080 0.000 1.143 517 D HN 0.830 nan 8.370 nan 0.000 0.529 518 G N 1.371 110.197 108.800 0.043 0.000 2.679 518 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.212 518 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.212 518 G C 1.256 176.153 174.900 -0.004 0.000 1.137 518 G CA 0.917 46.035 45.100 0.031 0.000 0.787 518 G HN 0.463 nan 8.290 nan 0.000 0.534 519 S N -1.142 114.540 115.700 -0.030 0.000 2.483 519 S HA 0.369 4.838 4.470 -0.000 0.000 0.221 519 S C 1.721 176.294 174.600 -0.045 0.000 1.030 519 S CA 1.048 59.211 58.200 -0.062 0.000 0.925 519 S CB 0.067 63.197 63.200 -0.115 0.000 0.795 519 S HN 1.415 nan 8.310 nan 0.000 0.511 520 G N 1.197 109.982 108.800 -0.025 0.000 2.204 520 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 520 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 520 G C 0.136 175.025 174.900 -0.020 0.000 1.062 520 G CA 0.243 45.332 45.100 -0.017 0.000 0.798 520 G HN 0.554 nan 8.290 nan 0.000 0.496 521 Q N -0.605 119.184 119.800 -0.018 0.000 2.220 521 Q HA 0.263 4.603 4.340 -0.000 0.000 0.205 521 Q C 1.187 177.206 176.000 0.031 0.000 0.865 521 Q CA 0.068 55.859 55.803 -0.019 0.000 0.960 521 Q CB 0.329 29.030 28.738 -0.061 0.000 1.097 521 Q HN 0.467 nan 8.270 nan 0.000 0.493 522 N N 1.572 120.312 118.700 0.067 0.000 2.725 522 N HA -0.204 4.536 4.740 -0.000 0.000 0.251 522 N C -1.132 174.549 175.510 0.286 0.000 1.031 522 N CA 0.289 53.437 53.050 0.164 0.000 0.720 522 N CB -0.902 37.649 38.487 0.107 0.000 0.930 522 N HN 0.279 nan 8.380 nan 0.000 0.543 523 N N 0.535 119.341 118.700 0.176 0.000 2.513 523 N HA 0.384 5.123 4.740 -0.000 0.000 0.274 523 N C -0.608 175.024 175.510 0.203 0.000 1.189 523 N CA 0.074 53.191 53.050 0.111 0.000 0.975 523 N CB 0.378 38.858 38.487 -0.012 0.000 1.157 523 N HN 0.338 nan 8.380 nan 0.000 0.465 524 Y N -1.010 119.336 120.300 0.075 0.000 2.581 524 Y HA 0.815 5.365 4.550 -0.000 0.000 0.345 524 Y C -1.230 174.698 175.900 0.046 0.000 1.036 524 Y CA -1.585 56.443 58.100 -0.119 0.000 1.042 524 Y CB 0.759 38.827 38.460 -0.653 0.000 1.289 524 Y HN 0.474 nan 8.280 nan 0.000 0.471 525 A N 1.773 124.628 122.820 0.059 0.000 2.343 525 A HA 0.605 4.925 4.320 -0.000 0.000 0.316 525 A C -1.559 175.961 177.584 -0.108 0.000 1.104 525 A CA -0.756 51.212 52.037 -0.114 0.000 0.768 525 A CB 0.744 19.379 19.000 -0.607 0.000 1.213 525 A HN 0.726 nan 8.150 nan 0.000 0.456 526 D N 1.758 122.104 120.400 -0.091 0.000 2.329 526 D HA 0.456 5.096 4.640 -0.000 0.000 0.232 526 D C -1.184 175.150 176.300 0.057 0.000 1.088 526 D CA 0.508 54.542 54.000 0.057 0.000 0.835 526 D CB 0.710 41.555 40.800 0.075 0.000 1.078 526 D HN 0.326 nan 8.370 nan 0.000 0.495 527 F N 1.566 121.647 119.950 0.218 0.000 2.361 527 F HA 0.117 4.644 4.527 -0.000 0.000 0.364 527 F C 1.656 177.629 175.800 0.289 0.000 1.120 527 F CA -0.727 57.407 58.000 0.223 0.000 1.102 527 F CB 1.351 40.437 39.000 0.143 0.000 1.183 527 F HN 0.179 nan 8.300 nan 0.000 0.476 528 D N 2.632 123.199 120.400 0.279 0.000 2.123 528 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 528 D C -0.287 176.175 176.300 0.271 0.000 0.976 528 D CA 1.616 55.569 54.000 -0.079 0.000 0.831 528 D CB 0.220 40.837 40.800 -0.305 0.000 0.974 528 D HN 0.445 nan 8.370 nan 0.000 0.469 529 Y N -2.901 117.576 120.300 0.294 0.000 2.638 529 Y HA 0.530 5.080 4.550 -0.000 0.000 0.335 529 Y C -1.900 174.177 175.900 0.295 0.000 1.155 529 Y CA -1.955 56.213 58.100 0.113 0.000 1.046 529 Y CB 0.597 39.055 38.460 -0.003 0.000 1.303 529 Y HN -0.196 nan 8.280 nan 0.000 0.460 530 F N 4.145 124.177 119.950 0.136 0.000 2.536 530 F HA 0.682 5.209 4.527 -0.000 0.000 0.322 530 F C -1.876 174.128 175.800 0.341 0.000 1.144 530 F CA -1.119 57.074 58.000 0.322 0.000 0.924 530 F CB 1.567 40.835 39.000 0.446 0.000 1.181 530 F HN 0.728 nan 8.300 nan 0.000 0.438 531 L N 7.475 128.637 121.223 -0.103 0.000 2.334 531 L HA 0.642 4.982 4.340 -0.000 0.000 0.276 531 L C -2.320 174.471 176.870 -0.132 0.000 1.014 531 L CA -1.241 53.594 54.840 -0.008 0.000 0.815 531 L CB 1.284 43.387 42.059 0.074 0.000 1.268 531 L HN 0.625 nan 8.230 nan 0.000 0.428 532 Y N 3.759 124.045 120.300 -0.024 0.000 2.386 532 Y HA 0.645 5.195 4.550 -0.000 0.000 0.334 532 Y C -1.188 174.755 175.900 0.071 0.000 1.002 532 Y CA -0.618 57.483 58.100 0.002 0.000 1.068 532 Y CB 1.315 39.794 38.460 0.031 0.000 1.203 532 Y HN 0.854 nan 8.280 nan 0.000 0.443 533 K N 5.826 125.930 120.400 -0.492 0.000 2.619 533 K HA 0.174 4.494 4.320 -0.000 0.000 0.251 533 K C -1.337 174.985 176.600 -0.464 0.000 0.987 533 K CA -0.576 55.503 56.287 -0.347 0.000 0.844 533 K CB 1.644 34.031 32.500 -0.189 0.000 1.237 533 K HN 0.928 nan 8.250 nan 0.000 0.447 534 E N 4.960 124.863 120.200 -0.495 0.000 2.414 534 E HA 0.036 4.386 4.350 -0.000 0.000 0.263 534 E C -0.185 176.276 176.600 -0.232 0.000 1.000 534 E CA -0.121 55.990 56.400 -0.481 0.000 0.914 534 E CB 0.343 29.632 29.700 -0.686 0.000 0.948 534 E HN 0.463 nan 8.360 nan 0.000 0.444 535 L N 0.000 121.152 121.223 -0.118 0.000 2.949 535 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 535 L CA 0.000 54.795 54.840 -0.074 0.000 0.813 535 L CB 0.000 42.004 42.059 -0.092 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502