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 1xmf_1_C DATA FIRST_RESID 2 DATA SEQUENCE SMLGERRRGL TDPEMAEVIL KALPEAPLDG NNKMGYFVTP RWKRLTEYEA DATA SEQUENCE LTVYAQPNAD WIAGGLDWGD WTQKFHGGRP SWGNETTELR TVDWFKHRDP DATA SEQUENCE LRRWHAPYVK DKAEEWRYTD RFLQGYSADG QIRAMNPTWR DEFINRYWGA DATA SEQUENCE FLFNEYGLFN AHSQGAREAL SDVTRVSLAF WGFDKIDIAQ MIQLERGFLA DATA SEQUENCE KIVPGFDEST AVPKAEWTNG EVYKSARLAV EGLWQEVFDW NESAFSVHAV DATA SEQUENCE YDALFGQFVR REFFQRLAPR FGDNLTPFFI NQAQTYFQIA KQGVQDLYYN DATA SEQUENCE CLGDDPEFSD YNRTVMRNWT GKWLEPTIAA LRDFMGLFAK LPAGTTDKEE DATA SEQUENCE ITASLYRVVD DWIEDYASRI DFKADRDQIV KAVLAGLK 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.603 174.600 0.004 0.000 1.055 2 S CA 0.000 58.203 58.200 0.004 0.000 1.107 2 S CB 0.000 63.203 63.200 0.004 0.000 0.593 3 M N 4.255 123.858 119.600 0.004 0.000 2.132 3 M HA -0.001 4.478 4.480 -0.000 0.000 0.263 3 M C 1.060 177.362 176.300 0.005 0.000 1.065 3 M CA 1.822 57.124 55.300 0.005 0.000 1.122 3 M CB -0.177 32.425 32.600 0.004 0.000 1.365 3 M HN 0.725 nan 8.290 nan 0.000 0.411 4 L N 0.280 121.505 121.223 0.005 0.000 2.049 4 L HA 0.282 4.622 4.340 -0.000 0.000 0.203 4 L C 1.099 177.972 176.870 0.005 0.000 1.074 4 L CA 1.817 56.660 54.840 0.005 0.000 0.749 4 L CB -0.480 41.582 42.059 0.005 0.000 0.907 4 L HN 0.585 nan 8.230 nan 0.000 0.439 5 G N -3.020 105.782 108.800 0.005 0.000 2.479 5 G HA2 0.121 4.080 3.960 -0.000 0.000 0.686 5 G HA3 0.121 4.080 3.960 -0.000 0.000 0.686 5 G C 0.076 174.979 174.900 0.005 0.000 1.295 5 G CA 0.260 45.363 45.100 0.005 0.000 0.922 5 G HN 0.281 nan 8.290 nan 0.000 0.582 6 E N -0.469 119.733 120.200 0.005 0.000 2.201 6 E HA 0.304 4.654 4.350 -0.000 0.000 0.193 6 E C 1.499 178.101 176.600 0.005 0.000 0.957 6 E CA 1.281 57.684 56.400 0.005 0.000 0.858 6 E CB 0.038 29.740 29.700 0.004 0.000 0.816 6 E HN 0.881 nan 8.360 nan 0.000 0.475 7 R N 1.163 121.666 120.500 0.005 0.000 2.370 7 R HA 0.226 4.565 4.340 -0.000 0.000 0.309 7 R C -0.518 175.785 176.300 0.005 0.000 1.059 7 R CA -0.261 55.842 56.100 0.005 0.000 0.981 7 R CB 0.163 30.466 30.300 0.006 0.000 0.972 7 R HN 0.164 nan 8.270 nan 0.000 0.437 8 R N 4.219 124.722 120.500 0.005 0.000 2.221 8 R HA 0.213 4.553 4.340 -0.000 0.000 0.327 8 R C -0.306 175.998 176.300 0.006 0.000 1.033 8 R CA -0.385 55.718 56.100 0.005 0.000 0.887 8 R CB 1.227 31.529 30.300 0.005 0.000 1.057 8 R HN 0.483 nan 8.270 nan 0.000 0.455 9 R N 1.332 121.836 120.500 0.006 0.000 2.265 9 R HA 0.155 4.495 4.340 -0.000 0.000 0.319 9 R C 1.297 177.601 176.300 0.006 0.000 1.006 9 R CA -0.316 55.788 56.100 0.006 0.000 0.880 9 R CB 1.406 31.711 30.300 0.007 0.000 1.077 9 R HN 0.845 nan 8.270 nan 0.000 0.454 10 G N 2.485 111.289 108.800 0.006 0.000 2.475 10 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 10 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 10 G C 1.082 175.986 174.900 0.006 0.000 1.125 10 G CA 0.644 45.748 45.100 0.006 0.000 0.755 10 G HN 0.462 nan 8.290 nan 0.000 0.565 11 L N 1.102 122.330 121.223 0.007 0.000 2.240 11 L HA 0.144 4.484 4.340 -0.000 0.000 0.211 11 L C 2.731 179.606 176.870 0.007 0.000 1.106 11 L CA 2.363 57.207 54.840 0.007 0.000 0.793 11 L CB -0.072 41.992 42.059 0.008 0.000 0.927 11 L HN 0.313 nan 8.230 nan 0.000 0.446 12 T N -5.310 109.248 114.554 0.007 0.000 2.971 12 T HA 0.086 4.436 4.350 -0.000 0.000 0.252 12 T C 0.746 175.450 174.700 0.006 0.000 1.022 12 T CA -0.254 61.850 62.100 0.006 0.000 0.980 12 T CB -0.321 68.552 68.868 0.007 0.000 1.044 12 T HN 0.251 nan 8.240 nan 0.000 0.501 13 D N 2.985 123.388 120.400 0.005 0.000 2.339 13 D HA 0.158 4.797 4.640 -0.000 0.000 0.256 13 D C -1.656 174.647 176.300 0.005 0.000 1.214 13 D CA -1.806 52.197 54.000 0.005 0.000 0.877 13 D CB 1.940 42.743 40.800 0.005 0.000 1.111 13 D HN -0.016 nan 8.370 nan 0.000 0.478 14 P HA -0.185 nan 4.420 nan 0.000 0.214 14 P C 1.179 178.481 177.300 0.004 0.000 1.163 14 P CA 1.104 64.206 63.100 0.004 0.000 0.889 14 P CB 0.273 31.976 31.700 0.004 0.000 0.790 15 E N -0.739 119.463 120.200 0.004 0.000 2.012 15 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 15 E C 1.934 178.536 176.600 0.004 0.000 1.007 15 E CA 1.677 58.079 56.400 0.003 0.000 0.816 15 E CB -0.508 29.194 29.700 0.003 0.000 0.762 15 E HN 0.080 nan 8.360 nan 0.000 0.451 16 M N 0.361 119.963 119.600 0.004 0.000 2.080 16 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 16 M C 2.475 178.778 176.300 0.004 0.000 1.068 16 M CA 1.790 57.092 55.300 0.004 0.000 1.109 16 M CB -0.286 32.317 32.600 0.004 0.000 1.342 16 M HN 0.240 nan 8.290 nan 0.000 0.405 17 A N -0.218 122.604 122.820 0.004 0.000 1.940 17 A HA -0.218 4.101 4.320 -0.000 0.000 0.219 17 A C 2.013 179.599 177.584 0.004 0.000 1.176 17 A CA 2.113 54.153 52.037 0.005 0.000 0.631 17 A CB -0.665 18.338 19.000 0.005 0.000 0.814 17 A HN 0.435 nan 8.150 nan 0.000 0.446 18 E N -0.124 120.078 120.200 0.004 0.000 2.106 18 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 18 E C 1.893 178.495 176.600 0.003 0.000 0.984 18 E CA 1.266 57.668 56.400 0.003 0.000 0.806 18 E CB -0.464 29.238 29.700 0.003 0.000 0.750 18 E HN 0.258 nan 8.360 nan 0.000 0.458 19 V N 0.665 120.581 119.914 0.003 0.000 2.295 19 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 19 V C 2.386 178.482 176.094 0.003 0.000 1.049 19 V CA 1.777 64.078 62.300 0.003 0.000 1.024 19 V CB -0.417 31.408 31.823 0.003 0.000 0.648 19 V HN 0.284 nan 8.190 nan 0.000 0.447 20 I N -0.494 120.079 120.570 0.004 0.000 2.142 20 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 20 I C 2.341 178.461 176.117 0.004 0.000 1.078 20 I CA 1.704 63.006 61.300 0.004 0.000 1.343 20 I CB -0.368 37.635 38.000 0.005 0.000 1.046 20 I HN 0.244 nan 8.210 nan 0.000 0.405 21 L N 0.553 121.778 121.223 0.004 0.000 2.079 21 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 21 L C 2.595 179.467 176.870 0.003 0.000 1.081 21 L CA 1.458 56.300 54.840 0.004 0.000 0.752 21 L CB -0.629 41.432 42.059 0.004 0.000 0.896 21 L HN 0.275 nan 8.230 nan 0.000 0.433 22 K N 0.508 120.910 120.400 0.003 0.000 2.148 22 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 22 K C 1.915 178.517 176.600 0.002 0.000 1.050 22 K CA 1.208 57.497 56.287 0.002 0.000 0.942 22 K CB -0.007 32.495 32.500 0.002 0.000 0.724 22 K HN 0.275 nan 8.250 nan 0.000 0.446 23 A N 0.857 123.678 122.820 0.002 0.000 2.208 23 A HA 0.172 4.492 4.320 -0.000 0.000 0.209 23 A C 0.613 178.199 177.584 0.002 0.000 1.161 23 A CA -0.058 51.980 52.037 0.002 0.000 0.782 23 A CB -0.190 18.812 19.000 0.002 0.000 0.816 23 A HN 0.189 nan 8.150 nan 0.000 0.477 24 L N 1.567 122.792 121.223 0.002 0.000 2.439 24 L HA 0.251 4.590 4.340 -0.000 0.000 0.269 24 L C -1.632 175.238 176.870 0.001 0.000 1.179 24 L CA -1.629 53.212 54.840 0.002 0.000 0.828 24 L CB 0.210 42.271 42.059 0.003 0.000 1.106 24 L HN 0.223 nan 8.230 nan 0.000 0.467 25 P HA 0.206 nan 4.420 nan 0.000 0.279 25 P C 0.280 177.580 177.300 0.000 0.000 1.252 25 P CA -0.297 62.803 63.100 0.000 0.000 0.811 25 P CB 0.910 32.610 31.700 -0.001 0.000 1.035 26 E N 0.912 121.112 120.200 -0.001 0.000 2.085 26 E HA 0.059 4.409 4.350 -0.000 0.000 0.194 26 E C 1.125 177.725 176.600 -0.001 0.000 0.994 26 E CA 1.556 57.956 56.400 -0.000 0.000 0.801 26 E CB -0.446 29.253 29.700 -0.001 0.000 0.743 26 E HN 0.892 nan 8.360 nan 0.000 0.453 27 A N -0.774 122.045 122.820 -0.002 0.000 2.569 27 A HA 0.661 4.981 4.320 -0.000 0.000 0.290 27 A C -2.797 174.786 177.584 -0.003 0.000 1.136 27 A CA -1.273 50.763 52.037 -0.002 0.000 0.710 27 A CB 0.939 19.937 19.000 -0.003 0.000 1.303 27 A HN 0.135 nan 8.150 nan 0.000 0.413 28 P HA 0.206 nan 4.420 nan 0.000 0.267 28 P C 0.249 177.545 177.300 -0.007 0.000 1.200 28 P CA -0.044 63.054 63.100 -0.004 0.000 0.772 28 P CB 0.346 32.043 31.700 -0.005 0.000 0.855 29 L N 0.660 121.879 121.223 -0.007 0.000 2.627 29 L HA 0.144 4.484 4.340 -0.000 0.000 0.233 29 L C 0.525 177.385 176.870 -0.015 0.000 1.144 29 L CA 0.859 55.694 54.840 -0.009 0.000 0.892 29 L CB -0.333 41.722 42.059 -0.006 0.000 1.039 29 L HN 0.429 nan 8.230 nan 0.000 0.442 30 D N -1.438 118.951 120.400 -0.019 0.000 2.746 30 D HA 0.116 4.756 4.640 -0.000 0.000 0.211 30 D C 0.380 176.659 176.300 -0.034 0.000 1.242 30 D CA -0.090 53.890 54.000 -0.033 0.000 0.790 30 D CB 1.710 42.487 40.800 -0.038 0.000 1.744 30 D HN -0.056 nan 8.370 nan 0.000 0.520 31 G N 2.188 110.963 108.800 -0.042 0.000 2.920 31 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.208 31 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.208 31 G C 0.771 175.641 174.900 -0.050 0.000 1.159 31 G CA -0.150 44.928 45.100 -0.037 0.000 0.784 31 G HN 0.339 nan 8.290 nan 0.000 0.535 32 N N 2.123 120.773 118.700 -0.082 0.000 2.739 32 N HA -0.000 4.740 4.740 -0.000 0.000 0.266 32 N C 0.834 176.308 175.510 -0.060 0.000 1.168 32 N CA -0.479 52.500 53.050 -0.118 0.000 1.055 32 N CB -0.062 38.265 38.487 -0.267 0.000 1.393 32 N HN 0.264 nan 8.380 nan 0.000 0.514 33 N N 0.461 119.150 118.700 -0.019 0.000 2.322 33 N HA -0.016 4.724 4.740 -0.000 0.000 0.216 33 N C -0.463 175.069 175.510 0.037 0.000 1.144 33 N CA -0.076 52.981 53.050 0.011 0.000 0.830 33 N CB -0.266 38.226 38.487 0.008 0.000 1.034 33 N HN 0.308 nan 8.380 nan 0.000 0.484 34 K N 1.249 121.686 120.400 0.062 0.000 2.347 34 K HA 0.308 4.627 4.320 -0.000 0.000 0.262 34 K C 0.135 176.842 176.600 0.177 0.000 1.052 34 K CA -0.764 55.581 56.287 0.097 0.000 0.946 34 K CB 0.491 33.048 32.500 0.096 0.000 1.220 34 K HN 0.317 nan 8.250 nan 0.000 0.450 35 M N 2.064 121.728 119.600 0.106 0.000 2.252 35 M HA 0.306 4.786 4.480 -0.000 0.000 0.348 35 M C 1.097 177.396 176.300 -0.001 0.000 1.334 35 M CA 2.258 57.615 55.300 0.097 0.000 1.071 35 M CB -0.424 32.195 32.600 0.032 0.000 1.763 35 M HN 1.406 nan 8.290 nan 0.000 0.452 36 G N 5.481 114.225 108.800 -0.093 0.000 2.141 36 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.242 36 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.242 36 G C 0.090 174.667 174.900 -0.538 0.000 0.982 36 G CA 0.694 45.494 45.100 -0.501 0.000 0.662 36 G HN 1.026 nan 8.290 nan 0.000 0.527 37 Y N -0.127 120.094 120.300 -0.132 0.000 2.298 37 Y HA 0.024 4.574 4.550 -0.000 0.000 0.287 37 Y C 2.120 177.997 175.900 -0.037 0.000 1.164 37 Y CA 1.523 59.595 58.100 -0.046 0.000 1.229 37 Y CB -0.918 37.572 38.460 0.050 0.000 0.977 37 Y HN 0.658 nan 8.280 nan 0.000 0.538 38 F N -0.363 119.142 119.950 -0.742 0.000 2.811 38 F HA 0.394 4.921 4.527 -0.000 0.000 0.301 38 F C 0.105 175.805 175.800 -0.166 0.000 1.151 38 F CA -1.130 56.607 58.000 -0.439 0.000 1.412 38 F CB -0.997 37.613 39.000 -0.651 0.000 1.113 38 F HN -0.165 nan 8.300 nan 0.000 0.579 39 V N 1.456 121.010 119.914 -0.601 0.000 2.649 39 V HA 0.118 4.238 4.120 -0.000 0.000 0.292 39 V C 0.486 176.502 176.094 -0.131 0.000 1.055 39 V CA -0.542 61.575 62.300 -0.306 0.000 1.023 39 V CB 1.175 32.758 31.823 -0.399 0.000 0.992 39 V HN 0.241 nan 8.190 nan 0.000 0.480 40 T N 7.390 121.908 114.554 -0.059 0.000 2.738 40 T HA 0.244 4.594 4.350 -0.000 0.000 0.293 40 T C -2.238 172.410 174.700 -0.086 0.000 0.913 40 T CA -0.603 61.470 62.100 -0.046 0.000 1.103 40 T CB 0.544 69.399 68.868 -0.021 0.000 0.880 40 T HN 0.507 nan 8.240 nan 0.000 0.526 41 P HA 0.223 nan 4.420 nan 0.000 0.268 41 P C 0.663 177.870 177.300 -0.155 0.000 1.205 41 P CA -0.482 62.580 63.100 -0.063 0.000 0.771 41 P CB 0.754 32.461 31.700 0.012 0.000 0.858 42 R N 2.900 123.206 120.500 -0.323 0.000 2.127 42 R HA 0.079 4.419 4.340 -0.000 0.000 0.217 42 R C 0.216 176.095 176.300 -0.701 0.000 1.074 42 R CA 1.233 56.920 56.100 -0.689 0.000 0.991 42 R CB 0.012 29.498 30.300 -1.357 0.000 0.895 42 R HN 0.508 nan 8.270 nan 0.000 0.450 43 W N -0.735 120.581 121.300 0.026 0.000 3.139 43 W HA 0.366 5.026 4.660 -0.000 0.000 0.399 43 W C 1.658 178.191 176.519 0.023 0.000 1.484 43 W CA -0.266 57.096 57.345 0.027 0.000 1.287 43 W CB -0.248 29.232 29.460 0.033 0.000 1.948 43 W HN -0.019 nan 8.180 nan 0.000 0.668 44 K N 0.791 121.362 120.400 0.284 0.000 1.987 44 K HA -0.063 4.257 4.320 -0.000 0.000 0.216 44 K C 1.286 177.964 176.600 0.131 0.000 1.051 44 K CA 2.407 58.788 56.287 0.157 0.000 0.942 44 K CB -1.181 31.395 32.500 0.126 0.000 0.722 44 K HN 0.504 nan 8.250 nan 0.000 0.444 45 R N -0.760 119.828 120.500 0.147 0.000 2.832 45 R HA 0.748 5.088 4.340 -0.000 0.000 0.271 45 R C -0.217 176.168 176.300 0.142 0.000 0.996 45 R CA -0.308 55.860 56.100 0.113 0.000 0.977 45 R CB 0.489 30.838 30.300 0.083 0.000 1.168 45 R HN 0.691 nan 8.270 nan 0.000 0.482 46 L N 1.477 122.759 121.223 0.098 0.000 2.485 46 L HA 0.389 4.729 4.340 -0.000 0.000 0.275 46 L C 0.874 177.811 176.870 0.112 0.000 1.207 46 L CA 0.829 55.724 54.840 0.091 0.000 0.855 46 L CB 1.221 43.293 42.059 0.021 0.000 1.114 46 L HN 1.002 nan 8.230 nan 0.000 0.485 47 T N -0.104 114.544 114.554 0.156 0.000 2.943 47 T HA 0.315 4.665 4.350 -0.000 0.000 0.284 47 T C 0.776 175.523 174.700 0.078 0.000 1.015 47 T CA -0.466 61.728 62.100 0.155 0.000 1.042 47 T CB 1.185 70.215 68.868 0.270 0.000 1.055 47 T HN 0.743 nan 8.240 nan 0.000 0.500 48 E N -0.117 120.124 120.200 0.067 0.000 2.118 48 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 48 E C 1.510 178.009 176.600 -0.168 0.000 0.992 48 E CA 1.188 57.556 56.400 -0.053 0.000 0.804 48 E CB -0.262 29.451 29.700 0.022 0.000 0.741 48 E HN 0.776 nan 8.360 nan 0.000 0.458 49 Y N 1.591 121.843 120.300 -0.079 0.000 2.128 49 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 49 Y C 1.734 177.594 175.900 -0.067 0.000 1.154 49 Y CA 2.205 60.288 58.100 -0.028 0.000 1.149 49 Y CB -0.236 38.355 38.460 0.218 0.000 0.976 49 Y HN 0.047 nan 8.280 nan 0.000 0.505 50 E N 0.212 120.250 120.200 -0.271 0.000 2.047 50 E HA -0.132 4.217 4.350 -0.000 0.000 0.191 50 E C 2.455 178.851 176.600 -0.341 0.000 0.987 50 E CA 0.948 57.114 56.400 -0.391 0.000 0.799 50 E CB -0.400 29.216 29.700 -0.140 0.000 0.752 50 E HN 0.566 nan 8.360 nan 0.000 0.449 51 A N 1.410 124.080 122.820 -0.250 0.000 1.883 51 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 51 A C 2.189 179.612 177.584 -0.268 0.000 1.186 51 A CA 1.295 53.186 52.037 -0.243 0.000 0.624 51 A CB -0.765 18.126 19.000 -0.181 0.000 0.822 51 A HN 0.154 nan 8.150 nan 0.000 0.444 52 L N -1.003 120.014 121.223 -0.343 0.000 2.376 52 L HA -0.071 4.269 4.340 -0.000 0.000 0.219 52 L C 2.216 178.922 176.870 -0.273 0.000 1.133 52 L CA 1.348 55.977 54.840 -0.352 0.000 0.816 52 L CB -0.395 41.303 42.059 -0.602 0.000 0.933 52 L HN 0.396 nan 8.230 nan 0.000 0.449 53 T N -1.886 112.476 114.554 -0.320 0.000 3.114 53 T HA 0.118 4.468 4.350 -0.000 0.000 0.240 53 T C 0.729 175.284 174.700 -0.241 0.000 0.983 53 T CA -0.213 61.722 62.100 -0.276 0.000 1.151 53 T CB 0.240 68.878 68.868 -0.384 0.000 0.974 53 T HN -0.160 nan 8.240 nan 0.000 0.442 54 V N 3.507 123.224 119.914 -0.328 0.000 2.539 54 V HA -0.007 4.113 4.120 -0.000 0.000 0.300 54 V C 0.286 176.181 176.094 -0.332 0.000 1.019 54 V CA 0.610 62.674 62.300 -0.393 0.000 1.160 54 V CB -1.200 30.286 31.823 -0.561 0.000 0.901 54 V HN 0.675 nan 8.190 nan 0.000 0.481 55 Y N 1.268 121.480 120.300 -0.146 0.000 4.943 55 Y HA -0.288 4.262 4.550 -0.000 0.000 0.258 55 Y C 1.663 177.526 175.900 -0.061 0.000 0.930 55 Y CA 0.613 58.568 58.100 -0.242 0.000 1.902 55 Y CB -2.193 36.126 38.460 -0.235 0.000 1.386 55 Y HN 0.664 nan 8.280 nan 0.000 0.558 56 A N -0.022 122.845 122.820 0.078 0.000 1.969 56 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 56 A C 1.361 178.984 177.584 0.065 0.000 1.169 56 A CA 1.295 53.359 52.037 0.045 0.000 0.635 56 A CB -0.222 18.770 19.000 -0.013 0.000 0.810 56 A HN 0.527 nan 8.150 nan 0.000 0.445 57 Q N 0.906 120.756 119.800 0.083 0.000 2.286 57 Q HA 0.147 4.487 4.340 -0.000 0.000 0.267 57 Q C -2.041 174.052 176.000 0.154 0.000 1.028 57 Q CA -1.844 53.963 55.803 0.008 0.000 0.901 57 Q CB 0.780 29.392 28.738 -0.210 0.000 1.183 57 Q HN 0.253 nan 8.270 nan 0.000 0.392 58 P HA -0.023 nan 4.420 nan 0.000 0.269 58 P C -0.943 176.505 177.300 0.248 0.000 1.601 58 P CA -0.013 63.228 63.100 0.234 0.000 0.831 58 P CB -0.073 31.806 31.700 0.299 0.000 1.688 59 N N 1.086 119.921 118.700 0.225 0.000 2.492 59 N HA 0.217 4.957 4.740 -0.000 0.000 0.260 59 N C 0.547 175.972 175.510 -0.142 0.000 1.215 59 N CA 0.142 53.237 53.050 0.075 0.000 0.923 59 N CB 0.623 39.193 38.487 0.138 0.000 1.092 59 N HN 0.183 nan 8.380 nan 0.000 0.448 60 A N 0.836 123.387 122.820 -0.449 0.000 2.264 60 A HA 0.212 4.532 4.320 -0.000 0.000 0.304 60 A C 0.942 178.371 177.584 -0.258 0.000 1.100 60 A CA -0.561 51.263 52.037 -0.355 0.000 0.839 60 A CB 0.302 19.058 19.000 -0.406 0.000 1.121 60 A HN 0.738 nan 8.150 nan 0.000 0.496 61 D N 0.293 120.684 120.400 -0.015 0.000 2.271 61 D HA -0.239 4.401 4.640 -0.000 0.000 0.207 61 D C 1.304 177.685 176.300 0.135 0.000 0.983 61 D CA 1.704 55.752 54.000 0.079 0.000 0.878 61 D CB -0.471 40.409 40.800 0.134 0.000 0.920 61 D HN 0.806 nan 8.370 nan 0.000 0.479 62 W N 0.561 121.914 121.300 0.087 0.000 2.961 62 W HA 0.258 4.918 4.660 -0.000 0.000 0.240 62 W C -0.124 176.486 176.519 0.152 0.000 1.305 62 W CA -0.580 56.826 57.345 0.101 0.000 1.465 62 W CB -0.680 28.823 29.460 0.072 0.000 1.135 62 W HN -0.088 nan 8.180 nan 0.000 0.688 63 I N 2.067 122.581 120.570 -0.093 0.000 2.437 63 I HA 0.341 4.511 4.170 -0.000 0.000 0.279 63 I C 0.730 176.962 176.117 0.192 0.000 1.028 63 I CA -1.093 60.221 61.300 0.023 0.000 1.142 63 I CB 0.969 38.863 38.000 -0.178 0.000 1.266 63 I HN -0.145 nan 8.210 nan 0.000 0.461 64 A N 4.801 127.778 122.820 0.261 0.000 2.468 64 A HA 0.123 4.443 4.320 -0.000 0.000 0.295 64 A C 1.484 179.239 177.584 0.285 0.000 0.906 64 A CA 1.392 53.554 52.037 0.208 0.000 1.156 64 A CB -0.727 18.286 19.000 0.022 0.000 0.738 64 A HN 1.408 nan 8.150 nan 0.000 0.393 65 G N 1.686 110.648 108.800 0.270 0.000 2.195 65 G HA2 0.056 4.015 3.960 -0.000 0.000 0.246 65 G HA3 0.056 4.015 3.960 -0.000 0.000 0.246 65 G C 1.209 176.373 174.900 0.441 0.000 0.984 65 G CA 0.558 45.897 45.100 0.397 0.000 0.633 65 G HN 2.328 nan 8.290 nan 0.000 0.525 66 G N -0.506 108.509 108.800 0.358 0.000 2.554 66 G HA2 0.496 4.456 3.960 -0.000 0.000 0.238 66 G HA3 0.496 4.456 3.960 -0.000 0.000 0.238 66 G C 0.998 175.926 174.900 0.048 0.000 1.259 66 G CA 0.002 45.243 45.100 0.234 0.000 0.843 66 G HN 0.616 nan 8.290 nan 0.000 0.582 67 L N 0.286 121.466 121.223 -0.071 0.000 2.638 67 L HA 0.208 4.548 4.340 -0.000 0.000 0.232 67 L C 0.949 177.768 176.870 -0.085 0.000 1.099 67 L CA -0.211 54.536 54.840 -0.155 0.000 0.883 67 L CB 0.085 41.911 42.059 -0.388 0.000 1.136 67 L HN 0.424 nan 8.230 nan 0.000 0.492 68 D N 0.060 120.412 120.400 -0.080 0.000 2.478 68 D HA 0.167 4.807 4.640 -0.000 0.000 0.274 68 D C -0.812 175.514 176.300 0.043 0.000 1.234 68 D CA -0.226 53.719 54.000 -0.092 0.000 1.069 68 D CB 1.171 41.841 40.800 -0.217 0.000 1.113 68 D HN 0.004 nan 8.370 nan 0.000 0.571 69 W N -1.235 120.029 121.300 -0.059 0.000 3.083 69 W HA 0.515 5.175 4.660 -0.000 0.000 0.333 69 W C -0.211 176.315 176.519 0.013 0.000 1.217 69 W CA -0.816 56.530 57.345 0.002 0.000 1.170 69 W CB 0.142 29.602 29.460 -0.001 0.000 1.437 69 W HN 0.780 nan 8.180 nan 0.000 0.557 70 G N 1.446 110.499 108.800 0.422 0.000 2.746 70 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.685 70 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.685 70 G C -0.984 173.989 174.900 0.122 0.000 1.350 70 G CA -0.194 45.044 45.100 0.231 0.000 0.837 70 G HN 0.822 nan 8.290 nan 0.000 0.564 71 D N -0.760 119.661 120.400 0.035 0.000 2.398 71 D HA 0.468 5.108 4.640 -0.000 0.000 0.247 71 D C 0.598 176.867 176.300 -0.052 0.000 1.227 71 D CA -0.380 53.627 54.000 0.012 0.000 0.980 71 D CB 0.362 41.158 40.800 -0.005 0.000 1.106 71 D HN 0.436 nan 8.370 nan 0.000 0.493 72 W N -0.389 121.053 121.300 0.236 0.000 2.150 72 W HA 0.106 4.765 4.660 -0.000 0.000 0.341 72 W C 2.052 178.593 176.519 0.037 0.000 1.276 72 W CA -0.138 57.281 57.345 0.124 0.000 1.238 72 W CB 0.485 30.023 29.460 0.130 0.000 1.128 72 W HN 0.398 nan 8.180 nan 0.000 0.581 73 T N -1.553 113.154 114.554 0.255 0.000 2.857 73 T HA -0.147 4.202 4.350 -0.000 0.000 0.266 73 T C 0.490 175.234 174.700 0.072 0.000 1.048 73 T CA 0.841 63.006 62.100 0.107 0.000 1.139 73 T CB -0.002 68.901 68.868 0.059 0.000 0.874 73 T HN 0.486 nan 8.240 nan 0.000 0.455 74 Q N 0.243 120.080 119.800 0.061 0.000 2.285 74 Q HA 0.486 4.826 4.340 -0.000 0.000 0.269 74 Q C -1.428 174.539 176.000 -0.056 0.000 1.030 74 Q CA -0.850 54.937 55.803 -0.027 0.000 0.788 74 Q CB 1.746 30.427 28.738 -0.094 0.000 1.266 74 Q HN 0.295 nan 8.270 nan 0.000 0.438 75 K N 1.888 122.263 120.400 -0.043 0.000 2.354 75 K HA 0.478 4.798 4.320 -0.000 0.000 0.238 75 K C -0.709 175.834 176.600 -0.096 0.000 1.068 75 K CA -0.786 55.493 56.287 -0.014 0.000 0.925 75 K CB 0.863 33.447 32.500 0.141 0.000 1.286 75 K HN 0.344 nan 8.250 nan 0.000 0.500 76 F N 1.127 121.038 119.950 -0.065 0.000 2.406 76 F HA 0.094 4.620 4.527 -0.000 0.000 0.327 76 F C 1.305 177.081 175.800 -0.039 0.000 1.153 76 F CA -0.116 57.858 58.000 -0.043 0.000 1.218 76 F CB 0.338 39.333 39.000 -0.008 0.000 1.215 76 F HN 0.240 nan 8.300 nan 0.000 0.570 77 H N 1.085 120.267 119.070 0.188 0.000 2.964 77 H HA 0.176 4.732 4.556 -0.000 0.000 0.328 77 H C 1.105 176.498 175.328 0.108 0.000 1.030 77 H CA 1.463 57.574 56.048 0.105 0.000 1.445 77 H CB 0.366 30.174 29.762 0.077 0.000 1.449 77 H HN 0.865 nan 8.280 nan 0.000 0.581 78 G N 2.205 111.099 108.800 0.156 0.000 2.284 78 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.216 78 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.216 78 G C 0.968 175.918 174.900 0.083 0.000 1.009 78 G CA 0.266 45.431 45.100 0.107 0.000 0.625 78 G HN 1.289 nan 8.290 nan 0.000 0.501 79 G N -0.932 107.931 108.800 0.105 0.000 2.255 79 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.196 79 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.196 79 G C 0.325 175.310 174.900 0.141 0.000 0.998 79 G CA 0.897 46.056 45.100 0.099 0.000 0.656 79 G HN 0.910 nan 8.290 nan 0.000 0.490 80 R N 2.152 122.738 120.500 0.144 0.000 2.504 80 R HA 0.160 4.500 4.340 -0.000 0.000 0.291 80 R C -2.047 174.429 176.300 0.294 0.000 0.974 80 R CA -0.456 55.715 56.100 0.117 0.000 1.077 80 R CB 0.147 30.360 30.300 -0.145 0.000 0.926 80 R HN 0.277 nan 8.270 nan 0.000 0.407 81 P HA 0.037 nan 4.420 nan 0.000 0.271 81 P C 0.158 177.553 177.300 0.158 0.000 1.218 81 P CA -0.130 63.220 63.100 0.417 0.000 0.780 81 P CB 0.724 32.854 31.700 0.717 0.000 0.901 82 S N 0.873 116.352 115.700 -0.369 0.000 2.372 82 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 82 S C 0.448 174.551 174.600 -0.828 0.000 1.044 82 S CA 1.193 58.879 58.200 -0.856 0.000 1.050 82 S CB -0.313 61.861 63.200 -1.709 0.000 0.901 82 S HN 0.568 nan 8.310 nan 0.000 0.447 83 W N -0.368 120.689 121.300 -0.405 0.000 3.138 83 W HA 0.603 5.263 4.660 -0.000 0.000 0.331 83 W C 0.048 176.694 176.519 0.212 0.000 1.166 83 W CA -0.884 56.393 57.345 -0.112 0.000 1.212 83 W CB 1.537 30.889 29.460 -0.180 0.000 1.399 83 W HN 0.161 nan 8.180 nan 0.000 0.514 84 G N 1.264 110.309 108.800 0.409 0.000 2.646 84 G HA2 0.126 4.086 3.960 -0.000 0.000 0.291 84 G HA3 0.126 4.086 3.960 -0.000 0.000 0.291 84 G C 0.156 175.259 174.900 0.338 0.000 1.445 84 G CA -0.633 44.738 45.100 0.451 0.000 0.814 84 G HN 0.354 nan 8.290 nan 0.000 0.495 85 N N 0.299 119.224 118.700 0.375 0.000 2.289 85 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 85 N C 1.940 177.618 175.510 0.280 0.000 1.016 85 N CA 1.535 54.782 53.050 0.329 0.000 0.872 85 N CB 0.078 38.761 38.487 0.327 0.000 0.973 85 N HN 0.882 nan 8.380 nan 0.000 0.433 86 E N 0.719 121.075 120.200 0.261 0.000 2.463 86 E HA -0.111 4.239 4.350 -0.000 0.000 0.201 86 E C 0.980 177.698 176.600 0.197 0.000 1.045 86 E CA 1.173 57.694 56.400 0.202 0.000 0.872 86 E CB -0.490 29.311 29.700 0.169 0.000 0.797 86 E HN 0.337 nan 8.360 nan 0.000 0.538 87 T N -2.432 112.271 114.554 0.247 0.000 3.129 87 T HA 0.076 4.426 4.350 -0.000 0.000 0.251 87 T C 0.446 175.313 174.700 0.279 0.000 1.117 87 T CA 0.254 62.524 62.100 0.285 0.000 1.034 87 T CB 0.616 69.697 68.868 0.355 0.000 0.968 87 T HN 0.074 nan 8.240 nan 0.000 0.526 88 T N 0.079 114.758 114.554 0.209 0.000 2.942 88 T HA 0.274 4.624 4.350 -0.000 0.000 0.327 88 T C -0.018 174.803 174.700 0.202 0.000 1.360 88 T CA -0.588 61.572 62.100 0.101 0.000 1.055 88 T CB 1.859 70.604 68.868 -0.205 0.000 1.261 88 T HN -0.082 nan 8.240 nan 0.000 0.485 89 E N 2.156 122.509 120.200 0.255 0.000 2.152 89 E HA 0.086 4.436 4.350 -0.000 0.000 0.192 89 E C 0.820 177.590 176.600 0.282 0.000 0.983 89 E CA 0.472 57.031 56.400 0.265 0.000 0.818 89 E CB -0.009 29.842 29.700 0.252 0.000 0.758 89 E HN 0.578 nan 8.360 nan 0.000 0.467 90 L N 1.975 123.336 121.223 0.229 0.000 2.483 90 L HA 0.058 4.397 4.340 -0.000 0.000 0.276 90 L C 0.782 177.772 176.870 0.201 0.000 1.213 90 L CA 0.364 55.329 54.840 0.208 0.000 0.843 90 L CB 0.216 42.393 42.059 0.197 0.000 1.107 90 L HN -0.143 nan 8.230 nan 0.000 0.487 91 R N 0.866 121.352 120.500 -0.023 0.000 2.744 91 R HA 0.652 4.992 4.340 -0.000 0.000 0.279 91 R C -0.646 175.189 176.300 -0.775 0.000 0.977 91 R CA -0.570 55.217 56.100 -0.522 0.000 0.906 91 R CB 2.245 31.933 30.300 -1.020 0.000 1.197 91 R HN 0.656 nan 8.270 nan 0.000 0.463 92 T N -1.147 112.847 114.554 -0.934 0.000 2.787 92 T HA 0.212 4.562 4.350 -0.000 0.000 0.297 92 T C -0.094 174.421 174.700 -0.308 0.000 1.221 92 T CA -0.403 61.335 62.100 -0.604 0.000 1.006 92 T CB 1.777 70.076 68.868 -0.948 0.000 1.328 92 T HN 0.199 nan 8.240 nan 0.000 0.509 93 V N 0.629 120.518 119.914 -0.042 0.000 3.174 93 V HA 0.359 4.479 4.120 -0.000 0.000 0.254 93 V C -0.245 175.848 176.094 -0.002 0.000 1.120 93 V CA 1.329 63.672 62.300 0.072 0.000 1.114 93 V CB -0.020 31.867 31.823 0.106 0.000 0.756 93 V HN 0.826 nan 8.190 nan 0.000 0.467 94 D N -2.089 118.251 120.400 -0.100 0.000 2.548 94 D HA 0.116 4.755 4.640 -0.000 0.000 0.214 94 D C -0.283 175.980 176.300 -0.062 0.000 1.345 94 D CA -0.462 53.545 54.000 0.011 0.000 0.945 94 D CB 0.432 41.299 40.800 0.112 0.000 1.499 94 D HN 0.201 nan 8.370 nan 0.000 0.579 95 W N 2.411 123.703 121.300 -0.014 0.000 2.961 95 W HA 0.094 4.753 4.660 -0.000 0.000 0.240 95 W C 1.279 177.582 176.519 -0.360 0.000 1.305 95 W CA -0.146 57.080 57.345 -0.198 0.000 1.465 95 W CB 0.066 29.329 29.460 -0.328 0.000 1.135 95 W HN 0.368 nan 8.180 nan 0.000 0.688 96 F N -0.080 119.934 119.950 0.106 0.000 2.664 96 F HA 0.179 4.706 4.527 -0.000 0.000 0.303 96 F C 2.154 177.906 175.800 -0.080 0.000 1.092 96 F CA 0.709 58.673 58.000 -0.060 0.000 1.305 96 F CB -0.913 37.933 39.000 -0.257 0.000 1.054 96 F HN -0.167 nan 8.300 nan 0.000 0.565 97 K N -0.061 120.404 120.400 0.108 0.000 2.103 97 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 97 K C 0.934 177.556 176.600 0.037 0.000 1.052 97 K CA 0.964 57.276 56.287 0.042 0.000 0.945 97 K CB -1.211 31.302 32.500 0.022 0.000 0.722 97 K HN 0.501 nan 8.250 nan 0.000 0.443 98 H N 0.940 120.008 119.070 -0.003 0.000 3.016 98 H HA 0.077 4.632 4.556 -0.000 0.000 0.345 98 H C -0.699 174.653 175.328 0.039 0.000 1.066 98 H CA 0.420 56.477 56.048 0.014 0.000 1.390 98 H CB 0.453 30.230 29.762 0.025 0.000 1.344 98 H HN 0.191 nan 8.280 nan 0.000 0.605 99 R N 3.348 123.453 120.500 -0.659 0.000 2.522 99 R HA 0.061 4.401 4.340 -0.000 0.000 0.283 99 R C -1.235 174.845 176.300 -0.366 0.000 1.074 99 R CA -0.870 55.032 56.100 -0.329 0.000 0.925 99 R CB 1.371 31.578 30.300 -0.155 0.000 1.205 99 R HN 0.739 nan 8.270 nan 0.000 0.436 100 D N 3.983 124.307 120.400 -0.128 0.000 2.358 100 D HA 0.146 4.786 4.640 -0.000 0.000 0.258 100 D C -1.515 174.812 176.300 0.045 0.000 1.223 100 D CA -1.934 52.055 54.000 -0.019 0.000 0.886 100 D CB 1.407 42.189 40.800 -0.030 0.000 1.120 100 D HN 0.099 nan 8.370 nan 0.000 0.482 101 P HA -0.096 nan 4.420 nan 0.000 0.218 101 P C 1.181 178.476 177.300 -0.008 0.000 1.146 101 P CA 0.960 64.166 63.100 0.176 0.000 0.813 101 P CB 0.180 31.976 31.700 0.160 0.000 0.778 102 L N -1.753 119.445 121.223 -0.042 0.000 2.599 102 L HA 0.130 4.470 4.340 -0.000 0.000 0.230 102 L C 0.504 177.240 176.870 -0.222 0.000 1.141 102 L CA 0.080 54.861 54.840 -0.099 0.000 0.877 102 L CB -0.592 41.456 42.059 -0.017 0.000 1.009 102 L HN -0.069 nan 8.230 nan 0.000 0.447 103 R N 0.748 120.989 120.500 -0.432 0.000 3.333 103 R HA -0.171 4.169 4.340 -0.000 0.000 0.256 103 R C -0.424 175.533 176.300 -0.573 0.000 1.010 103 R CA 0.368 55.906 56.100 -0.936 0.000 0.680 103 R CB -1.841 28.195 30.300 -0.439 0.000 1.102 103 R HN 0.417 nan 8.270 nan 0.000 0.440 104 R N 1.791 122.099 120.500 -0.319 0.000 2.210 104 R HA 0.169 4.508 4.340 -0.000 0.000 0.338 104 R C 0.566 177.165 176.300 0.497 0.000 1.062 104 R CA -0.252 55.914 56.100 0.110 0.000 0.902 104 R CB 0.513 30.935 30.300 0.204 0.000 1.050 104 R HN 0.289 nan 8.270 nan 0.000 0.461 105 W N 2.404 123.926 121.300 0.371 0.000 2.492 105 W HA 0.239 4.899 4.660 -0.000 0.000 0.373 105 W C 1.203 177.981 176.519 0.432 0.000 1.323 105 W CA -0.960 56.638 57.345 0.422 0.000 1.406 105 W CB -0.393 29.265 29.460 0.329 0.000 1.398 105 W HN 0.504 nan 8.180 nan 0.000 0.671 106 H N 0.962 120.346 119.070 0.525 0.000 2.319 106 H HA -0.204 4.352 4.556 -0.000 0.000 0.297 106 H C 2.100 177.351 175.328 -0.127 0.000 1.097 106 H CA 3.279 59.485 56.048 0.263 0.000 1.285 106 H CB -0.439 29.486 29.762 0.273 0.000 1.368 106 H HN 0.533 nan 8.280 nan 0.000 0.495 107 A N 1.272 123.875 122.820 -0.361 0.000 1.851 107 A HA -0.136 4.183 4.320 -0.000 0.000 0.216 107 A C -0.041 177.216 177.584 -0.544 0.000 1.195 107 A CA 1.909 53.602 52.037 -0.574 0.000 0.622 107 A CB -1.519 16.834 19.000 -1.079 0.000 0.831 107 A HN 0.428 nan 8.150 nan 0.000 0.444 108 P HA -0.164 nan 4.420 nan 0.000 0.216 108 P C 1.426 178.545 177.300 -0.300 0.000 1.150 108 P CA 1.249 64.096 63.100 -0.421 0.000 0.837 108 P CB -0.171 31.294 31.700 -0.392 0.000 0.786 109 Y N 1.223 121.237 120.300 -0.476 0.000 2.089 109 Y HA -0.213 4.337 4.550 -0.000 0.000 0.282 109 Y C 2.081 177.686 175.900 -0.492 0.000 1.139 109 Y CA 1.676 59.421 58.100 -0.592 0.000 1.123 109 Y CB -1.152 36.632 38.460 -1.127 0.000 0.980 109 Y HN -0.185 nan 8.280 nan 0.000 0.493 110 V N -0.626 118.964 119.914 -0.539 0.000 2.626 110 V HA -0.186 3.934 4.120 -0.000 0.000 0.252 110 V C 2.245 178.162 176.094 -0.295 0.000 1.067 110 V CA 2.132 64.161 62.300 -0.452 0.000 1.081 110 V CB -0.934 30.722 31.823 -0.278 0.000 0.686 110 V HN 0.407 nan 8.190 nan 0.000 0.468 111 K N 0.645 120.890 120.400 -0.257 0.000 2.025 111 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 111 K C 1.861 178.363 176.600 -0.164 0.000 1.049 111 K CA 2.208 58.391 56.287 -0.173 0.000 0.933 111 K CB -0.312 32.089 32.500 -0.166 0.000 0.714 111 K HN 0.505 nan 8.250 nan 0.000 0.438 112 D N 0.512 120.784 120.400 -0.214 0.000 2.097 112 D HA -0.158 4.481 4.640 -0.000 0.000 0.195 112 D C 1.785 177.986 176.300 -0.165 0.000 0.989 112 D CA 1.203 55.099 54.000 -0.174 0.000 0.827 112 D CB -0.027 40.660 40.800 -0.188 0.000 0.966 112 D HN 0.242 nan 8.370 nan 0.000 0.456 113 K N 0.350 120.572 120.400 -0.297 0.000 2.097 113 K HA -0.046 4.273 4.320 -0.000 0.000 0.205 113 K C 1.949 178.519 176.600 -0.050 0.000 1.050 113 K CA 1.103 57.248 56.287 -0.237 0.000 0.938 113 K CB -0.023 32.196 32.500 -0.469 0.000 0.718 113 K HN 0.062 nan 8.250 nan 0.000 0.442 114 A N 1.424 124.213 122.820 -0.051 0.000 1.902 114 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 114 A C 1.782 179.443 177.584 0.128 0.000 1.181 114 A CA 1.601 53.688 52.037 0.084 0.000 0.623 114 A CB -0.419 18.602 19.000 0.036 0.000 0.818 114 A HN 0.467 nan 8.150 nan 0.000 0.443 115 E N -0.242 119.988 120.200 0.050 0.000 2.077 115 E HA -0.221 4.128 4.350 -0.000 0.000 0.193 115 E C 1.979 178.656 176.600 0.128 0.000 0.989 115 E CA 1.430 57.862 56.400 0.054 0.000 0.800 115 E CB -0.200 29.496 29.700 -0.007 0.000 0.746 115 E HN 0.748 nan 8.360 nan 0.000 0.452 116 E N 0.455 120.738 120.200 0.140 0.000 2.077 116 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 116 E C 1.678 178.485 176.600 0.346 0.000 0.989 116 E CA 0.944 57.474 56.400 0.216 0.000 0.800 116 E CB -0.223 29.584 29.700 0.178 0.000 0.746 116 E HN 0.420 nan 8.360 nan 0.000 0.452 117 W N 1.677 123.022 121.300 0.075 0.000 2.333 117 W HA -0.232 4.428 4.660 -0.000 0.000 0.316 117 W C 1.936 178.508 176.519 0.088 0.000 1.215 117 W CA 0.878 58.267 57.345 0.074 0.000 1.278 117 W CB 0.030 29.509 29.460 0.032 0.000 1.154 117 W HN -0.025 nan 8.180 nan 0.000 0.486 118 R N -0.638 119.902 120.500 0.068 0.000 2.096 118 R HA -0.222 4.118 4.340 -0.000 0.000 0.235 118 R C 2.067 178.367 176.300 0.001 0.000 1.127 118 R CA 1.635 57.666 56.100 -0.114 0.000 0.968 118 R CB -1.283 29.002 30.300 -0.024 0.000 0.861 118 R HN 0.338 nan 8.270 nan 0.000 0.440 119 Y N 2.030 122.331 120.300 0.001 0.000 2.200 119 Y HA -0.153 4.397 4.550 -0.000 0.000 0.290 119 Y C 2.228 178.184 175.900 0.093 0.000 1.137 119 Y CA 1.438 59.566 58.100 0.047 0.000 1.163 119 Y CB -0.544 37.964 38.460 0.081 0.000 0.988 119 Y HN -0.096 nan 8.280 nan 0.000 0.518 120 T N 0.565 115.175 114.554 0.093 0.000 2.665 120 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 120 T C 1.755 176.349 174.700 -0.177 0.000 1.035 120 T CA 1.770 63.899 62.100 0.049 0.000 1.151 120 T CB -0.574 68.493 68.868 0.332 0.000 0.862 120 T HN 0.559 nan 8.240 nan 0.000 0.438 121 D N 0.551 120.780 120.400 -0.286 0.000 2.104 121 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 121 D C 2.367 178.503 176.300 -0.273 0.000 0.994 121 D CA 1.205 54.986 54.000 -0.366 0.000 0.830 121 D CB -0.039 40.457 40.800 -0.508 0.000 0.959 121 D HN 0.227 nan 8.370 nan 0.000 0.452 122 R N -0.834 119.537 120.500 -0.214 0.000 2.081 122 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 122 R C 2.335 178.496 176.300 -0.231 0.000 1.131 122 R CA 1.332 57.336 56.100 -0.160 0.000 0.960 122 R CB -0.609 29.667 30.300 -0.040 0.000 0.856 122 R HN 0.234 nan 8.270 nan 0.000 0.436 123 F N 1.093 120.711 119.950 -0.554 0.000 2.046 123 F HA -0.207 4.320 4.527 -0.000 0.000 0.297 123 F C 1.658 177.145 175.800 -0.522 0.000 1.123 123 F CA 1.631 59.216 58.000 -0.692 0.000 1.199 123 F CB -0.590 37.639 39.000 -1.286 0.000 0.972 123 F HN -0.069 nan 8.300 nan 0.000 0.474 124 L N 0.046 120.746 121.223 -0.871 0.000 2.081 124 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 124 L C 2.576 179.204 176.870 -0.403 0.000 1.080 124 L CA 1.743 56.020 54.840 -0.938 0.000 0.754 124 L CB -0.921 40.592 42.059 -0.912 0.000 0.893 124 L HN 0.334 nan 8.230 nan 0.000 0.433 125 Q N -0.583 119.052 119.800 -0.274 0.000 2.167 125 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 125 Q C 2.301 178.230 176.000 -0.118 0.000 0.970 125 Q CA 1.307 57.037 55.803 -0.122 0.000 0.855 125 Q CB -0.230 28.442 28.738 -0.110 0.000 0.911 125 Q HN 0.627 nan 8.270 nan 0.000 0.438 126 G N -0.231 108.456 108.800 -0.187 0.000 2.396 126 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.214 126 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.214 126 G C 1.153 175.956 174.900 -0.162 0.000 1.166 126 G CA 0.365 45.378 45.100 -0.145 0.000 0.793 126 G HN 0.332 nan 8.290 nan 0.000 0.533 127 Y N 2.907 122.947 120.300 -0.434 0.000 2.081 127 Y HA -0.286 4.263 4.550 -0.000 0.000 0.280 127 Y C 3.211 179.028 175.900 -0.138 0.000 1.163 127 Y CA 2.471 60.339 58.100 -0.388 0.000 1.135 127 Y CB -0.266 37.745 38.460 -0.750 0.000 0.970 127 Y HN 0.323 nan 8.280 nan 0.000 0.498 128 S N 0.081 115.849 115.700 0.112 0.000 2.368 128 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 128 S C 2.200 176.755 174.600 -0.075 0.000 1.029 128 S CA 0.911 59.146 58.200 0.058 0.000 0.988 128 S CB -1.117 62.183 63.200 0.166 0.000 0.838 128 S HN 0.518 nan 8.310 nan 0.000 0.462 129 A N 1.589 124.367 122.820 -0.070 0.000 1.969 129 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 129 A C 1.880 179.403 177.584 -0.103 0.000 1.169 129 A CA 1.576 53.568 52.037 -0.076 0.000 0.635 129 A CB -0.813 18.150 19.000 -0.061 0.000 0.810 129 A HN 0.505 nan 8.150 nan 0.000 0.445 130 D N -1.224 119.088 120.400 -0.146 0.000 2.349 130 D HA 0.202 4.842 4.640 -0.000 0.000 0.224 130 D C 1.348 177.532 176.300 -0.195 0.000 1.029 130 D CA 1.026 54.932 54.000 -0.156 0.000 0.879 130 D CB -0.238 40.461 40.800 -0.169 0.000 0.906 130 D HN 0.475 nan 8.370 nan 0.000 0.528 131 G N 1.050 109.716 108.800 -0.224 0.000 2.258 131 G HA2 -0.418 3.541 3.960 -0.000 0.000 0.274 131 G HA3 -0.418 3.541 3.960 -0.000 0.000 0.274 131 G C 0.999 175.732 174.900 -0.280 0.000 1.021 131 G CA 0.759 45.730 45.100 -0.216 0.000 0.798 131 G HN 0.440 nan 8.290 nan 0.000 0.507 132 Q N -1.139 118.370 119.800 -0.486 0.000 2.297 132 Q HA -0.062 4.277 4.340 -0.000 0.000 0.208 132 Q C 2.576 178.383 176.000 -0.321 0.000 0.981 132 Q CA 1.217 56.740 55.803 -0.467 0.000 0.876 132 Q CB -0.109 28.215 28.738 -0.690 0.000 0.921 132 Q HN 0.698 nan 8.270 nan 0.000 0.446 133 I N 1.199 121.570 120.570 -0.333 0.000 2.423 133 I HA -0.297 3.872 4.170 -0.000 0.000 0.254 133 I C 1.848 177.973 176.117 0.013 0.000 1.151 133 I CA 1.394 62.690 61.300 -0.006 0.000 1.421 133 I CB -0.091 37.922 38.000 0.023 0.000 1.079 133 I HN 0.049 nan 8.210 nan 0.000 0.431 134 R N 0.575 121.051 120.500 -0.040 0.000 2.096 134 R HA -0.135 4.205 4.340 -0.000 0.000 0.240 134 R C 1.980 178.293 176.300 0.022 0.000 1.139 134 R CA 1.598 57.692 56.100 -0.010 0.000 0.952 134 R CB -0.740 29.540 30.300 -0.033 0.000 0.854 134 R HN 0.475 nan 8.270 nan 0.000 0.436 135 A N 0.568 123.399 122.820 0.019 0.000 2.261 135 A HA 0.058 4.378 4.320 -0.000 0.000 0.208 135 A C 0.732 178.364 177.584 0.081 0.000 1.223 135 A CA 0.013 52.073 52.037 0.038 0.000 0.833 135 A CB -0.293 18.718 19.000 0.018 0.000 0.830 135 A HN 0.202 nan 8.150 nan 0.000 0.483 136 M N 1.024 120.696 119.600 0.120 0.000 2.209 136 M HA 0.183 4.663 4.480 -0.000 0.000 0.355 136 M C -0.143 176.284 176.300 0.211 0.000 1.171 136 M CA -0.590 54.821 55.300 0.186 0.000 1.069 136 M CB 0.604 33.349 32.600 0.242 0.000 1.622 136 M HN 0.321 nan 8.290 nan 0.000 0.459 137 N N 5.580 124.439 118.700 0.265 0.000 2.411 137 N HA 0.025 4.765 4.740 -0.000 0.000 0.261 137 N C -2.202 173.505 175.510 0.330 0.000 1.248 137 N CA -0.711 52.525 53.050 0.311 0.000 0.885 137 N CB 1.124 39.887 38.487 0.461 0.000 1.062 137 N HN 0.437 nan 8.380 nan 0.000 0.471 138 P HA -0.059 nan 4.420 nan 0.000 0.215 138 P C 1.127 178.583 177.300 0.260 0.000 1.157 138 P CA 1.426 64.665 63.100 0.232 0.000 0.863 138 P CB 0.191 31.996 31.700 0.174 0.000 0.787 139 T N -1.063 113.657 114.554 0.277 0.000 2.684 139 T HA -0.209 4.140 4.350 -0.000 0.000 0.267 139 T C 1.441 176.364 174.700 0.371 0.000 1.036 139 T CA 1.110 63.385 62.100 0.292 0.000 1.148 139 T CB -1.036 68.021 68.868 0.315 0.000 0.863 139 T HN 0.281 nan 8.240 nan 0.000 0.436 140 W N 2.821 124.223 121.300 0.170 0.000 2.363 140 W HA -0.126 4.534 4.660 -0.000 0.000 0.296 140 W C 2.356 179.025 176.519 0.249 0.000 1.212 140 W CA 1.237 58.637 57.345 0.091 0.000 1.260 140 W CB -0.383 28.866 29.460 -0.351 0.000 1.131 140 W HN 0.184 nan 8.180 nan 0.000 0.530 141 R N 0.592 121.278 120.500 0.309 0.000 2.061 141 R HA -0.159 4.181 4.340 -0.000 0.000 0.230 141 R C 1.795 178.266 176.300 0.284 0.000 1.140 141 R CA 2.178 58.433 56.100 0.258 0.000 0.940 141 R CB -0.734 29.744 30.300 0.296 0.000 0.839 141 R HN 0.006 nan 8.270 nan 0.000 0.429 142 D N -0.481 120.077 120.400 0.263 0.000 2.277 142 D HA -0.109 4.531 4.640 -0.000 0.000 0.208 142 D C 1.392 177.718 176.300 0.044 0.000 0.962 142 D CA 0.907 55.013 54.000 0.176 0.000 0.865 142 D CB 0.277 41.155 40.800 0.129 0.000 0.939 142 D HN 0.484 nan 8.370 nan 0.000 0.510 143 E N -0.725 119.499 120.200 0.040 0.000 2.192 143 E HA 0.000 4.350 4.350 -0.000 0.000 0.196 143 E C 1.597 178.110 176.600 -0.146 0.000 0.922 143 E CA -0.058 56.277 56.400 -0.109 0.000 0.924 143 E CB 0.183 29.764 29.700 -0.199 0.000 0.911 143 E HN 0.006 nan 8.360 nan 0.000 0.478 144 F N 0.948 120.889 119.950 -0.015 0.000 2.234 144 F HA -0.066 4.461 4.527 -0.000 0.000 0.296 144 F C 2.202 177.998 175.800 -0.007 0.000 1.089 144 F CA 0.412 58.391 58.000 -0.034 0.000 1.343 144 F CB -0.016 38.616 39.000 -0.614 0.000 1.040 144 F HN 0.138 nan 8.300 nan 0.000 0.498 145 I N 0.119 120.647 120.570 -0.071 0.000 2.235 145 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 145 I C 2.359 178.624 176.117 0.247 0.000 1.085 145 I CA 1.252 62.608 61.300 0.094 0.000 1.378 145 I CB -1.413 36.613 38.000 0.043 0.000 1.076 145 I HN 0.264 nan 8.210 nan 0.000 0.415 146 N N 1.004 119.833 118.700 0.216 0.000 2.188 146 N HA -0.210 4.530 4.740 -0.000 0.000 0.184 146 N C 2.105 177.624 175.510 0.014 0.000 1.018 146 N CA 1.248 54.392 53.050 0.156 0.000 0.858 146 N CB 0.404 38.882 38.487 -0.016 0.000 0.989 146 N HN 0.345 nan 8.380 nan 0.000 0.426 147 R N -0.993 119.474 120.500 -0.055 0.000 2.062 147 R HA -0.017 4.323 4.340 -0.000 0.000 0.218 147 R C 1.893 178.088 176.300 -0.176 0.000 1.161 147 R CA 0.578 56.543 56.100 -0.225 0.000 0.994 147 R CB -0.369 29.635 30.300 -0.493 0.000 0.888 147 R HN 0.155 nan 8.270 nan 0.000 0.442 148 Y N -0.665 119.770 120.300 0.225 0.000 2.243 148 Y HA -0.156 4.393 4.550 -0.000 0.000 0.293 148 Y C 2.223 178.463 175.900 0.566 0.000 1.124 148 Y CA 1.236 59.627 58.100 0.485 0.000 1.159 148 Y CB -0.408 38.320 38.460 0.447 0.000 1.008 148 Y HN 0.305 nan 8.280 nan 0.000 0.527 149 W N 0.911 122.330 121.300 0.199 0.000 2.409 149 W HA -0.096 4.564 4.660 -0.000 0.000 0.299 149 W C 2.098 178.582 176.519 -0.058 0.000 1.203 149 W CA 1.197 58.350 57.345 -0.321 0.000 1.298 149 W CB -0.438 28.713 29.460 -0.514 0.000 1.127 149 W HN 0.165 nan 8.180 nan 0.000 0.528 150 G N 0.885 109.686 108.800 0.001 0.000 2.440 150 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 150 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 150 G C 1.625 176.470 174.900 -0.091 0.000 1.154 150 G CA 1.606 46.633 45.100 -0.122 0.000 0.767 150 G HN 0.370 nan 8.290 nan 0.000 0.552 151 A N 0.228 123.081 122.820 0.056 0.000 1.972 151 A HA 0.065 4.384 4.320 -0.000 0.000 0.219 151 A C 2.131 179.636 177.584 -0.132 0.000 1.169 151 A CA 1.454 53.561 52.037 0.117 0.000 0.635 151 A CB -0.536 18.596 19.000 0.221 0.000 0.810 151 A HN 0.384 nan 8.150 nan 0.000 0.446 152 F N 1.351 121.052 119.950 -0.414 0.000 2.250 152 F HA -0.181 4.346 4.527 -0.000 0.000 0.301 152 F C 1.830 177.259 175.800 -0.618 0.000 1.077 152 F CA 1.373 59.050 58.000 -0.538 0.000 1.348 152 F CB -0.334 38.399 39.000 -0.444 0.000 1.040 152 F HN 0.291 nan 8.300 nan 0.000 0.509 153 L N -1.245 119.576 121.223 -0.670 0.000 2.079 153 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 153 L C 1.888 178.246 176.870 -0.855 0.000 1.081 153 L CA 1.865 56.235 54.840 -0.783 0.000 0.752 153 L CB -2.144 39.449 42.059 -0.777 0.000 0.896 153 L HN 0.029 nan 8.230 nan 0.000 0.433 154 F N 0.599 120.003 119.950 -0.911 0.000 2.365 154 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 154 F C 2.577 177.622 175.800 -1.258 0.000 1.090 154 F CA 1.324 58.672 58.000 -1.086 0.000 1.408 154 F CB -0.820 37.186 39.000 -1.657 0.000 1.060 154 F HN 0.380 nan 8.300 nan 0.000 0.534 155 N N 0.720 118.657 118.700 -1.272 0.000 2.109 155 N HA -0.161 4.578 4.740 -0.000 0.000 0.188 155 N C 1.719 176.931 175.510 -0.497 0.000 1.034 155 N CA 1.344 53.910 53.050 -0.806 0.000 0.846 155 N CB 0.008 38.115 38.487 -0.634 0.000 1.010 155 N HN 0.183 nan 8.380 nan 0.000 0.425 156 E N 0.113 119.903 120.200 -0.683 0.000 2.110 156 E HA -0.185 4.164 4.350 -0.000 0.000 0.193 156 E C 1.749 178.207 176.600 -0.236 0.000 0.988 156 E CA 0.640 56.798 56.400 -0.404 0.000 0.804 156 E CB -0.650 28.790 29.700 -0.433 0.000 0.745 156 E HN 0.522 nan 8.360 nan 0.000 0.458 157 Y N 1.517 121.571 120.300 -0.410 0.000 2.181 157 Y HA -0.121 4.428 4.550 -0.000 0.000 0.288 157 Y C 2.348 178.120 175.900 -0.214 0.000 1.146 157 Y CA 1.854 59.780 58.100 -0.290 0.000 1.164 157 Y CB -0.625 37.597 38.460 -0.397 0.000 0.982 157 Y HN 0.018 nan 8.280 nan 0.000 0.515 158 G N 0.284 108.918 108.800 -0.277 0.000 2.418 158 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 158 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 158 G C 1.679 176.340 174.900 -0.399 0.000 1.158 158 G CA 1.095 45.998 45.100 -0.328 0.000 0.771 158 G HN 0.453 nan 8.290 nan 0.000 0.545 159 L N -0.414 120.685 121.223 -0.208 0.000 2.093 159 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 159 L C 2.572 179.408 176.870 -0.056 0.000 1.085 159 L CA 0.992 55.760 54.840 -0.121 0.000 0.755 159 L CB -0.498 41.564 42.059 0.006 0.000 0.904 159 L HN 0.301 nan 8.230 nan 0.000 0.435 160 F N 1.618 121.408 119.950 -0.266 0.000 2.069 160 F HA -0.250 4.276 4.527 -0.000 0.000 0.298 160 F C 2.036 177.638 175.800 -0.329 0.000 1.113 160 F CA 2.037 59.883 58.000 -0.256 0.000 1.214 160 F CB -0.765 38.002 39.000 -0.389 0.000 0.978 160 F HN 0.045 nan 8.300 nan 0.000 0.474 161 N N 0.158 118.072 118.700 -1.310 0.000 2.348 161 N HA -0.113 4.626 4.740 -0.000 0.000 0.185 161 N C 1.780 176.568 175.510 -1.204 0.000 1.019 161 N CA 0.770 52.816 53.050 -1.673 0.000 0.880 161 N CB -0.303 36.734 38.487 -2.417 0.000 0.965 161 N HN 0.470 nan 8.380 nan 0.000 0.437 162 A N -0.207 122.136 122.820 -0.796 0.000 2.172 162 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 162 A C 1.150 178.523 177.584 -0.351 0.000 1.154 162 A CA 1.089 52.872 52.037 -0.424 0.000 0.701 162 A CB -0.434 18.356 19.000 -0.350 0.000 0.789 162 A HN 0.354 nan 8.150 nan 0.000 0.465 163 H N -0.259 118.609 119.070 -0.336 0.000 2.551 163 H HA 0.007 4.563 4.556 -0.000 0.000 0.266 163 H C 2.462 177.671 175.328 -0.198 0.000 0.964 163 H CA 0.880 56.825 56.048 -0.172 0.000 1.180 163 H CB 0.074 29.784 29.762 -0.087 0.000 1.408 163 H HN 0.652 nan 8.280 nan 0.000 0.563 164 S N 0.446 116.022 115.700 -0.206 0.000 2.368 164 S HA -0.374 4.095 4.470 -0.000 0.000 0.226 164 S C 2.098 176.651 174.600 -0.079 0.000 1.044 164 S CA 1.779 59.881 58.200 -0.163 0.000 1.062 164 S CB -0.343 62.750 63.200 -0.178 0.000 0.931 164 S HN 0.590 nan 8.310 nan 0.000 0.440 165 Q N 1.445 121.208 119.800 -0.062 0.000 2.124 165 Q HA -0.043 4.297 4.340 -0.000 0.000 0.202 165 Q C 2.271 178.261 176.000 -0.018 0.000 0.977 165 Q CA 1.510 57.295 55.803 -0.030 0.000 0.850 165 Q CB -0.908 27.813 28.738 -0.028 0.000 0.901 165 Q HN 0.739 nan 8.270 nan 0.000 0.429 166 G N 0.113 108.917 108.800 0.007 0.000 2.432 166 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 166 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 166 G C 1.419 176.214 174.900 -0.175 0.000 1.135 166 G CA 0.726 45.816 45.100 -0.016 0.000 0.767 166 G HN 0.480 nan 8.290 nan 0.000 0.550 167 A N 0.561 123.317 122.820 -0.107 0.000 1.972 167 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 167 A C 2.311 179.828 177.584 -0.111 0.000 1.169 167 A CA 2.099 54.061 52.037 -0.125 0.000 0.635 167 A CB -0.272 18.682 19.000 -0.076 0.000 0.810 167 A HN 0.348 nan 8.150 nan 0.000 0.446 168 R N -0.391 120.057 120.500 -0.087 0.000 2.090 168 R HA 0.051 4.391 4.340 -0.000 0.000 0.219 168 R C 1.498 177.797 176.300 -0.002 0.000 1.100 168 R CA 1.479 57.556 56.100 -0.038 0.000 0.991 168 R CB -0.166 30.113 30.300 -0.035 0.000 0.893 168 R HN 0.375 nan 8.270 nan 0.000 0.443 169 E N 0.741 120.845 120.200 -0.159 0.000 2.340 169 E HA 0.222 4.572 4.350 -0.000 0.000 0.194 169 E C 0.198 176.230 176.600 -0.947 0.000 0.996 169 E CA 0.592 56.817 56.400 -0.291 0.000 0.869 169 E CB -0.129 29.457 29.700 -0.190 0.000 0.835 169 E HN 0.344 nan 8.360 nan 0.000 0.493 170 A N 1.557 123.581 122.820 -1.326 0.000 2.608 170 A HA -0.085 4.235 4.320 -0.000 0.000 0.239 170 A C 0.957 177.670 177.584 -1.452 0.000 1.018 170 A CA 0.419 51.282 52.037 -1.957 0.000 0.766 170 A CB -0.089 18.220 19.000 -1.152 0.000 0.928 170 A HN 0.244 nan 8.150 nan 0.000 0.512 171 L N 2.193 122.551 121.223 -1.443 0.000 2.627 171 L HA 0.157 4.497 4.340 -0.000 0.000 0.232 171 L C 0.824 177.105 176.870 -0.982 0.000 1.150 171 L CA 0.702 54.877 54.840 -1.108 0.000 0.917 171 L CB -0.856 40.469 42.059 -1.223 0.000 1.104 171 L HN 0.875 nan 8.230 nan 0.000 0.445 172 S N -3.423 111.729 115.700 -0.913 0.000 2.587 172 S HA 0.186 4.655 4.470 -0.000 0.000 0.269 172 S C -0.063 174.195 174.600 -0.571 0.000 1.154 172 S CA -0.556 57.139 58.200 -0.841 0.000 0.824 172 S CB 1.336 63.962 63.200 -0.957 0.000 1.118 172 S HN 0.152 nan 8.310 nan 0.000 0.462 173 D N 1.698 121.879 120.400 -0.366 0.000 2.084 173 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 173 D C 2.187 178.349 176.300 -0.229 0.000 0.985 173 D CA 1.704 55.553 54.000 -0.252 0.000 0.826 173 D CB -1.006 39.720 40.800 -0.123 0.000 0.978 173 D HN 0.683 nan 8.370 nan 0.000 0.456 174 V N -0.112 119.707 119.914 -0.158 0.000 2.392 174 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 174 V C 2.426 178.527 176.094 0.012 0.000 1.059 174 V CA 2.421 64.694 62.300 -0.046 0.000 1.051 174 V CB -1.892 29.945 31.823 0.023 0.000 0.658 174 V HN 0.482 nan 8.190 nan 0.000 0.455 175 T N -0.695 113.791 114.554 -0.114 0.000 2.809 175 T HA -0.175 4.174 4.350 -0.000 0.000 0.260 175 T C 2.053 176.509 174.700 -0.407 0.000 1.039 175 T CA 1.340 63.293 62.100 -0.246 0.000 1.141 175 T CB -0.500 68.242 68.868 -0.209 0.000 0.869 175 T HN 0.561 nan 8.240 nan 0.000 0.437 176 R N 0.944 121.181 120.500 -0.439 0.000 2.083 176 R HA -0.083 4.257 4.340 -0.000 0.000 0.237 176 R C 2.277 178.292 176.300 -0.476 0.000 1.137 176 R CA 1.700 57.529 56.100 -0.452 0.000 0.951 176 R CB -0.844 29.204 30.300 -0.421 0.000 0.851 176 R HN 0.338 nan 8.270 nan 0.000 0.434 177 V N 0.471 120.097 119.914 -0.479 0.000 2.295 177 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 177 V C 2.358 177.866 176.094 -0.976 0.000 1.049 177 V CA 2.139 64.014 62.300 -0.707 0.000 1.024 177 V CB -0.418 31.090 31.823 -0.524 0.000 0.648 177 V HN 0.405 nan 8.190 nan 0.000 0.447 178 S N -0.133 115.139 115.700 -0.713 0.000 2.348 178 S HA -0.148 4.322 4.470 -0.000 0.000 0.221 178 S C 1.938 175.668 174.600 -1.450 0.000 1.033 178 S CA 1.617 59.273 58.200 -0.906 0.000 1.010 178 S CB -0.414 62.384 63.200 -0.669 0.000 0.891 178 S HN 0.434 nan 8.310 nan 0.000 0.442 179 L N 1.101 121.616 121.223 -1.180 0.000 2.013 179 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 179 L C 2.784 179.456 176.870 -0.330 0.000 1.073 179 L CA 1.476 55.906 54.840 -0.682 0.000 0.753 179 L CB -0.727 41.153 42.059 -0.298 0.000 0.890 179 L HN 0.353 nan 8.230 nan 0.000 0.432 180 A N -0.337 122.248 122.820 -0.391 0.000 1.908 180 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 180 A C 2.142 179.704 177.584 -0.037 0.000 1.181 180 A CA 1.645 53.550 52.037 -0.219 0.000 0.627 180 A CB -0.936 17.872 19.000 -0.320 0.000 0.818 180 A HN 0.428 nan 8.150 nan 0.000 0.445 181 F N -2.139 117.581 119.950 -0.383 0.000 2.325 181 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 181 F C 2.269 178.067 175.800 -0.004 0.000 1.090 181 F CA -0.075 57.677 58.000 -0.414 0.000 1.392 181 F CB -0.217 38.359 39.000 -0.707 0.000 1.053 181 F HN 0.340 nan 8.300 nan 0.000 0.521 182 W N 0.769 122.094 121.300 0.041 0.000 2.379 182 W HA -0.018 4.642 4.660 -0.000 0.000 0.307 182 W C 2.560 178.988 176.519 -0.151 0.000 1.200 182 W CA 1.076 58.401 57.345 -0.033 0.000 1.297 182 W CB -1.719 27.716 29.460 -0.041 0.000 1.140 182 W HN -0.046 nan 8.180 nan 0.000 0.507 183 G N -0.628 108.038 108.800 -0.222 0.000 2.408 183 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 183 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 183 G C 1.486 176.513 174.900 0.212 0.000 1.150 183 G CA 0.638 45.522 45.100 -0.359 0.000 0.776 183 G HN 0.126 nan 8.290 nan 0.000 0.542 184 F N 1.733 121.741 119.950 0.097 0.000 2.171 184 F HA 0.001 4.527 4.527 -0.000 0.000 0.300 184 F C 2.127 177.948 175.800 0.035 0.000 1.090 184 F CA 1.430 59.483 58.000 0.089 0.000 1.293 184 F CB -0.038 39.056 39.000 0.157 0.000 1.013 184 F HN 0.084 nan 8.300 nan 0.000 0.486 185 D N -0.197 120.301 120.400 0.164 0.000 2.178 185 D HA -0.126 4.514 4.640 -0.000 0.000 0.202 185 D C 2.225 178.573 176.300 0.079 0.000 0.974 185 D CA 0.868 54.889 54.000 0.035 0.000 0.841 185 D CB -0.061 40.772 40.800 0.056 0.000 0.953 185 D HN 0.096 nan 8.370 nan 0.000 0.478 186 K N 0.329 120.777 120.400 0.080 0.000 2.057 186 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 186 K C 2.092 178.619 176.600 -0.122 0.000 1.050 186 K CA 0.240 56.559 56.287 0.053 0.000 0.935 186 K CB -0.451 32.119 32.500 0.116 0.000 0.715 186 K HN 0.213 nan 8.250 nan 0.000 0.439 187 I N 2.164 122.546 120.570 -0.314 0.000 2.394 187 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 187 I C 1.864 177.695 176.117 -0.477 0.000 1.136 187 I CA 1.537 62.468 61.300 -0.614 0.000 1.425 187 I CB -0.336 36.895 38.000 -1.283 0.000 1.079 187 I HN 0.087 nan 8.210 nan 0.000 0.425 188 D N 0.534 120.673 120.400 -0.434 0.000 2.092 188 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 188 D C 2.148 178.356 176.300 -0.153 0.000 0.994 188 D CA 1.610 55.414 54.000 -0.326 0.000 0.828 188 D CB -0.086 40.578 40.800 -0.227 0.000 0.963 188 D HN 0.296 nan 8.370 nan 0.000 0.450 189 I N 1.247 121.791 120.570 -0.044 0.000 2.163 189 I HA -0.223 3.947 4.170 -0.000 0.000 0.243 189 I C 2.597 178.614 176.117 -0.165 0.000 1.085 189 I CA 1.146 62.432 61.300 -0.023 0.000 1.347 189 I CB -1.634 36.395 38.000 0.048 0.000 1.044 189 I HN 0.006 nan 8.210 nan 0.000 0.408 190 A N 0.354 123.022 122.820 -0.254 0.000 1.908 190 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 190 A C 2.244 179.605 177.584 -0.371 0.000 1.181 190 A CA 1.626 53.440 52.037 -0.372 0.000 0.627 190 A CB -0.697 18.082 19.000 -0.368 0.000 0.818 190 A HN 0.557 nan 8.150 nan 0.000 0.445 191 Q N -1.327 118.279 119.800 -0.324 0.000 2.167 191 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 191 Q C 2.041 177.897 176.000 -0.241 0.000 0.970 191 Q CA 1.191 56.813 55.803 -0.302 0.000 0.855 191 Q CB -0.217 28.329 28.738 -0.319 0.000 0.911 191 Q HN 0.541 nan 8.270 nan 0.000 0.438 192 M N 0.023 119.511 119.600 -0.187 0.000 2.254 192 M HA -0.072 4.407 4.480 -0.000 0.000 0.265 192 M C 2.090 178.197 176.300 -0.321 0.000 1.066 192 M CA 1.219 56.433 55.300 -0.143 0.000 1.123 192 M CB -0.519 32.139 32.600 0.096 0.000 1.388 192 M HN 0.256 nan 8.290 nan 0.000 0.425 193 I N -0.022 120.377 120.570 -0.285 0.000 2.226 193 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 193 I C 2.571 178.512 176.117 -0.293 0.000 1.100 193 I CA 1.216 62.312 61.300 -0.339 0.000 1.374 193 I CB -0.370 37.257 38.000 -0.622 0.000 1.057 193 I HN 0.286 nan 8.210 nan 0.000 0.413 194 Q N 1.082 120.706 119.800 -0.292 0.000 2.172 194 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 194 Q C 1.990 177.906 176.000 -0.140 0.000 0.964 194 Q CA 1.482 57.157 55.803 -0.214 0.000 0.855 194 Q CB -0.367 28.225 28.738 -0.244 0.000 0.918 194 Q HN 0.423 nan 8.270 nan 0.000 0.444 195 L N 0.677 121.796 121.223 -0.172 0.000 2.083 195 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 195 L C 2.170 178.977 176.870 -0.105 0.000 1.083 195 L CA 2.314 57.096 54.840 -0.096 0.000 0.752 195 L CB -0.574 41.452 42.059 -0.056 0.000 0.899 195 L HN 0.442 nan 8.230 nan 0.000 0.433 196 E N -0.734 119.286 120.200 -0.299 0.000 2.072 196 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 196 E C 2.279 178.895 176.600 0.027 0.000 0.985 196 E CA 0.968 57.253 56.400 -0.191 0.000 0.801 196 E CB -0.042 29.475 29.700 -0.306 0.000 0.750 196 E HN 0.490 nan 8.360 nan 0.000 0.452 197 R N -0.385 120.141 120.500 0.043 0.000 2.092 197 R HA -0.048 4.292 4.340 -0.000 0.000 0.231 197 R C 2.484 178.890 176.300 0.177 0.000 1.119 197 R CA 1.079 57.292 56.100 0.188 0.000 0.970 197 R CB -0.345 30.075 30.300 0.200 0.000 0.864 197 R HN 0.227 nan 8.270 nan 0.000 0.440 198 G N 0.275 109.139 108.800 0.107 0.000 2.448 198 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.218 198 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.218 198 G C 1.135 176.105 174.900 0.117 0.000 1.135 198 G CA 0.023 45.188 45.100 0.107 0.000 0.784 198 G HN 0.226 nan 8.290 nan 0.000 0.543 199 F N 1.139 121.064 119.950 -0.043 0.000 2.163 199 F HA 0.191 4.718 4.527 -0.000 0.000 0.297 199 F C 2.348 178.080 175.800 -0.114 0.000 1.094 199 F CA 0.710 58.676 58.000 -0.056 0.000 1.290 199 F CB -0.250 38.720 39.000 -0.049 0.000 1.017 199 F HN 0.021 nan 8.300 nan 0.000 0.483 200 L N 0.064 121.099 121.223 -0.313 0.000 2.083 200 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 200 L C 2.734 179.287 176.870 -0.529 0.000 1.083 200 L CA 1.170 55.610 54.840 -0.666 0.000 0.752 200 L CB -1.171 40.141 42.059 -1.245 0.000 0.899 200 L HN 0.231 nan 8.230 nan 0.000 0.433 201 A N -0.220 122.489 122.820 -0.185 0.000 2.019 201 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 201 A C 2.301 179.873 177.584 -0.020 0.000 1.164 201 A CA 1.535 53.639 52.037 0.112 0.000 0.644 201 A CB -0.261 18.873 19.000 0.223 0.000 0.805 201 A HN 0.356 nan 8.150 nan 0.000 0.449 202 K N -0.588 119.732 120.400 -0.133 0.000 2.211 202 K HA 0.137 4.457 4.320 -0.000 0.000 0.201 202 K C 1.519 178.001 176.600 -0.195 0.000 1.052 202 K CA 1.258 57.464 56.287 -0.136 0.000 0.973 202 K CB -0.058 32.370 32.500 -0.121 0.000 0.766 202 K HN 0.773 nan 8.250 nan 0.000 0.466 203 I N -2.535 117.835 120.570 -0.334 0.000 4.018 203 I HA 0.152 4.322 4.170 -0.000 0.000 0.337 203 I C -0.229 175.776 176.117 -0.187 0.000 1.327 203 I CA -0.214 60.913 61.300 -0.288 0.000 1.100 203 I CB 0.920 38.661 38.000 -0.431 0.000 1.025 203 I HN -0.326 nan 8.210 nan 0.000 0.396 204 V N 3.089 122.911 119.914 -0.153 0.000 2.385 204 V HA 0.418 4.537 4.120 -0.000 0.000 0.277 204 V C -2.449 173.668 176.094 0.038 0.000 1.012 204 V CA -1.397 60.870 62.300 -0.054 0.000 0.832 204 V CB 1.027 32.804 31.823 -0.077 0.000 1.028 204 V HN 0.056 nan 8.190 nan 0.000 0.436 205 P HA 0.214 nan 4.420 nan 0.000 0.262 205 P C 1.099 178.445 177.300 0.077 0.000 1.182 205 P CA 1.575 64.701 63.100 0.043 0.000 0.761 205 P CB 0.610 32.323 31.700 0.022 0.000 0.795 206 G N 2.236 111.082 108.800 0.075 0.000 2.175 206 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 206 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 206 G C -0.024 174.925 174.900 0.082 0.000 0.982 206 G CA -0.559 44.579 45.100 0.064 0.000 0.641 206 G HN 0.522 nan 8.290 nan 0.000 0.527 207 F N 2.680 122.625 119.950 -0.009 0.000 2.444 207 F HA 0.519 5.046 4.527 -0.000 0.000 0.360 207 F C 0.272 176.066 175.800 -0.012 0.000 1.106 207 F CA -0.870 57.126 58.000 -0.007 0.000 1.170 207 F CB 0.857 39.852 39.000 -0.009 0.000 1.113 207 F HN 0.022 nan 8.300 nan 0.000 0.521 208 D N 5.321 125.526 120.400 -0.324 0.000 2.316 208 D HA 0.033 4.673 4.640 -0.000 0.000 0.245 208 D C 0.742 176.954 176.300 -0.146 0.000 1.171 208 D CA -0.102 53.794 54.000 -0.174 0.000 0.856 208 D CB 1.041 41.730 40.800 -0.185 0.000 1.090 208 D HN 0.785 nan 8.370 nan 0.000 0.476 209 E N 1.459 121.679 120.200 0.033 0.000 2.502 209 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 209 E C 0.636 177.238 176.600 0.004 0.000 1.062 209 E CA -0.346 56.101 56.400 0.079 0.000 0.867 209 E CB 0.180 29.943 29.700 0.106 0.000 0.888 209 E HN 0.141 nan 8.360 nan 0.000 0.510 210 S N 0.969 116.650 115.700 -0.031 0.000 2.558 210 S HA -0.034 4.435 4.470 -0.000 0.000 0.288 210 S C 1.198 175.778 174.600 -0.034 0.000 1.318 210 S CA 0.401 58.581 58.200 -0.034 0.000 1.056 210 S CB 0.910 64.084 63.200 -0.043 0.000 0.853 210 S HN 0.427 nan 8.310 nan 0.000 0.505 211 T N 2.500 117.047 114.554 -0.012 0.000 3.100 211 T HA 0.237 4.586 4.350 -0.000 0.000 0.253 211 T C 1.875 176.602 174.700 0.046 0.000 1.118 211 T CA 0.480 62.599 62.100 0.032 0.000 1.058 211 T CB -0.362 68.545 68.868 0.066 0.000 0.953 211 T HN 0.719 nan 8.240 nan 0.000 0.515 212 A N 1.898 124.717 122.820 -0.002 0.000 1.896 212 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 212 A C 2.489 180.045 177.584 -0.048 0.000 1.206 212 A CA 2.266 54.288 52.037 -0.025 0.000 0.647 212 A CB -1.363 17.615 19.000 -0.037 0.000 0.828 212 A HN 0.426 nan 8.150 nan 0.000 0.455 213 V N 1.203 121.078 119.914 -0.064 0.000 2.223 213 V HA -0.170 3.950 4.120 -0.000 0.000 0.244 213 V C 0.120 176.164 176.094 -0.083 0.000 1.045 213 V CA 2.390 64.636 62.300 -0.089 0.000 1.000 213 V CB -1.837 29.912 31.823 -0.123 0.000 0.635 213 V HN 0.494 nan 8.190 nan 0.000 0.445 214 P HA -0.230 nan 4.420 nan 0.000 0.218 214 P C 1.560 178.853 177.300 -0.012 0.000 1.148 214 P CA 1.796 64.900 63.100 0.006 0.000 0.822 214 P CB 0.015 31.760 31.700 0.075 0.000 0.784 215 K N 0.199 120.548 120.400 -0.086 0.000 2.025 215 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 215 K C 2.252 178.679 176.600 -0.289 0.000 1.049 215 K CA 1.373 57.339 56.287 -0.535 0.000 0.933 215 K CB -0.589 31.703 32.500 -0.347 0.000 0.714 215 K HN -0.059 nan 8.250 nan 0.000 0.438 216 A N 1.150 123.882 122.820 -0.146 0.000 1.940 216 A HA -0.226 4.093 4.320 -0.000 0.000 0.219 216 A C 1.976 179.518 177.584 -0.070 0.000 1.176 216 A CA 2.051 54.028 52.037 -0.099 0.000 0.631 216 A CB -0.612 18.340 19.000 -0.079 0.000 0.814 216 A HN 0.516 nan 8.150 nan 0.000 0.446 217 E N -0.655 119.513 120.200 -0.053 0.000 2.077 217 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 217 E C 1.837 178.509 176.600 0.120 0.000 0.989 217 E CA 1.456 57.861 56.400 0.008 0.000 0.800 217 E CB -0.433 29.239 29.700 -0.047 0.000 0.746 217 E HN 0.745 nan 8.360 nan 0.000 0.452 218 W N 1.119 122.343 121.300 -0.127 0.000 2.379 218 W HA -0.166 4.494 4.660 -0.000 0.000 0.307 218 W C 1.791 178.242 176.519 -0.114 0.000 1.200 218 W CA 2.640 59.906 57.345 -0.131 0.000 1.297 218 W CB -0.634 28.597 29.460 -0.382 0.000 1.140 218 W HN 0.273 nan 8.180 nan 0.000 0.507 219 T N -1.103 113.362 114.554 -0.149 0.000 2.904 219 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 219 T C 0.928 175.528 174.700 -0.167 0.000 1.059 219 T CA 1.550 63.530 62.100 -0.199 0.000 1.137 219 T CB -0.509 68.296 68.868 -0.105 0.000 0.879 219 T HN 0.103 nan 8.240 nan 0.000 0.467 220 N N 0.554 119.189 118.700 -0.108 0.000 2.160 220 N HA 0.364 5.104 4.740 -0.000 0.000 0.226 220 N C 0.625 176.108 175.510 -0.046 0.000 1.256 220 N CA -0.057 52.947 53.050 -0.077 0.000 0.890 220 N CB 0.927 39.379 38.487 -0.059 0.000 1.116 220 N HN 0.528 nan 8.380 nan 0.000 0.517 221 G N -0.082 108.706 108.800 -0.020 0.000 2.621 221 G HA2 0.121 4.081 3.960 -0.000 0.000 0.271 221 G HA3 0.121 4.081 3.960 -0.000 0.000 0.271 221 G C 0.544 175.461 174.900 0.028 0.000 1.236 221 G CA -0.140 44.981 45.100 0.035 0.000 0.958 221 G HN -0.004 nan 8.290 nan 0.000 0.512 222 E N -0.740 119.488 120.200 0.047 0.000 2.244 222 E HA -0.006 4.343 4.350 -0.000 0.000 0.196 222 E C 2.851 179.471 176.600 0.034 0.000 0.939 222 E CA 0.165 56.579 56.400 0.024 0.000 0.884 222 E CB -0.073 29.634 29.700 0.012 0.000 0.850 222 E HN 0.213 nan 8.360 nan 0.000 0.481 223 V N 0.605 120.543 119.914 0.039 0.000 2.324 223 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 223 V C 1.530 177.638 176.094 0.022 0.000 1.060 223 V CA 1.752 64.016 62.300 -0.059 0.000 1.042 223 V CB -0.535 31.184 31.823 -0.173 0.000 0.650 223 V HN 0.285 nan 8.190 nan 0.000 0.450 224 Y N -1.054 119.389 120.300 0.238 0.000 2.507 224 Y HA 0.211 4.761 4.550 -0.000 0.000 0.254 224 Y C 2.018 177.841 175.900 -0.129 0.000 1.171 224 Y CA -0.090 58.131 58.100 0.202 0.000 1.238 224 Y CB 0.132 38.798 38.460 0.344 0.000 1.148 224 Y HN 0.114 nan 8.280 nan 0.000 0.525 225 K N 0.444 120.852 120.400 0.013 0.000 1.987 225 K HA -0.210 4.109 4.320 -0.000 0.000 0.216 225 K C 2.046 178.564 176.600 -0.137 0.000 1.051 225 K CA 2.149 58.367 56.287 -0.114 0.000 0.942 225 K CB -0.224 32.239 32.500 -0.063 0.000 0.722 225 K HN 0.117 nan 8.250 nan 0.000 0.444 226 S N 0.208 115.871 115.700 -0.062 0.000 2.399 226 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 226 S C 1.873 176.412 174.600 -0.101 0.000 1.022 226 S CA 1.036 59.199 58.200 -0.063 0.000 0.983 226 S CB -0.255 62.934 63.200 -0.017 0.000 0.803 226 S HN 0.534 nan 8.310 nan 0.000 0.480 227 A N 1.918 124.664 122.820 -0.124 0.000 1.858 227 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 227 A C 2.061 179.561 177.584 -0.140 0.000 1.190 227 A CA 1.689 53.613 52.037 -0.188 0.000 0.617 227 A CB -0.598 18.332 19.000 -0.117 0.000 0.827 227 A HN 0.469 nan 8.150 nan 0.000 0.443 228 R N -0.248 119.996 120.500 -0.427 0.000 2.081 228 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 228 R C 1.950 178.129 176.300 -0.202 0.000 1.131 228 R CA 1.564 57.318 56.100 -0.577 0.000 0.960 228 R CB -0.447 29.135 30.300 -1.197 0.000 0.856 228 R HN 0.522 nan 8.270 nan 0.000 0.436 229 L N 0.191 121.303 121.223 -0.185 0.000 2.083 229 L HA -0.144 4.195 4.340 -0.000 0.000 0.209 229 L C 2.724 179.564 176.870 -0.050 0.000 1.083 229 L CA 1.351 56.131 54.840 -0.099 0.000 0.752 229 L CB -0.576 41.433 42.059 -0.084 0.000 0.899 229 L HN 0.350 nan 8.230 nan 0.000 0.433 230 A N -0.337 122.432 122.820 -0.086 0.000 1.873 230 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 230 A C 2.344 179.789 177.584 -0.231 0.000 1.186 230 A CA 1.500 53.480 52.037 -0.095 0.000 0.616 230 A CB -0.786 18.071 19.000 -0.239 0.000 0.823 230 A HN 0.154 nan 8.150 nan 0.000 0.442 231 V N 0.284 120.035 119.914 -0.272 0.000 2.255 231 V HA -0.324 3.795 4.120 -0.000 0.000 0.247 231 V C 2.433 178.554 176.094 0.044 0.000 1.051 231 V CA 2.467 64.686 62.300 -0.136 0.000 1.018 231 V CB -0.947 30.988 31.823 0.187 0.000 0.641 231 V HN 0.649 nan 8.190 nan 0.000 0.445 232 E N -0.004 120.246 120.200 0.084 0.000 2.118 232 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 232 E C 2.268 178.863 176.600 -0.008 0.000 0.992 232 E CA 1.311 57.741 56.400 0.051 0.000 0.804 232 E CB -0.467 29.228 29.700 -0.008 0.000 0.741 232 E HN 0.678 nan 8.360 nan 0.000 0.458 233 G N 0.946 109.771 108.800 0.041 0.000 2.404 233 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.214 233 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.214 233 G C 1.557 176.498 174.900 0.069 0.000 1.189 233 G CA 0.271 45.463 45.100 0.153 0.000 0.789 233 G HN 0.082 nan 8.290 nan 0.000 0.533 234 L N -0.918 120.163 121.223 -0.237 0.000 2.081 234 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 234 L C 2.628 179.355 176.870 -0.237 0.000 1.080 234 L CA 1.406 55.894 54.840 -0.586 0.000 0.754 234 L CB -0.297 41.303 42.059 -0.764 0.000 0.893 234 L HN 0.479 nan 8.230 nan 0.000 0.433 235 W N 0.458 121.574 121.300 -0.307 0.000 2.444 235 W HA -0.097 4.562 4.660 -0.000 0.000 0.308 235 W C 2.262 178.632 176.519 -0.249 0.000 1.183 235 W CA 1.052 58.236 57.345 -0.267 0.000 1.340 235 W CB -0.252 29.081 29.460 -0.211 0.000 1.138 235 W HN 0.050 nan 8.180 nan 0.000 0.510 236 Q N -0.028 119.610 119.800 -0.270 0.000 2.319 236 Q HA 0.070 4.410 4.340 -0.000 0.000 0.209 236 Q C 1.199 177.051 176.000 -0.246 0.000 0.884 236 Q CA 0.654 56.198 55.803 -0.433 0.000 0.938 236 Q CB 0.496 28.861 28.738 -0.621 0.000 1.098 236 Q HN 0.519 nan 8.270 nan 0.000 0.517 237 E N 0.004 120.155 120.200 -0.081 0.000 2.498 237 E HA 0.128 4.477 4.350 -0.000 0.000 0.203 237 E C -0.403 176.300 176.600 0.171 0.000 1.013 237 E CA -0.043 56.410 56.400 0.087 0.000 0.927 237 E CB 1.307 31.086 29.700 0.132 0.000 1.012 237 E HN -0.102 nan 8.360 nan 0.000 0.482 238 V N 1.480 121.408 119.914 0.023 0.000 2.384 238 V HA 0.174 4.294 4.120 -0.000 0.000 0.287 238 V C -0.259 175.804 176.094 -0.053 0.000 1.020 238 V CA -0.292 62.039 62.300 0.052 0.000 0.850 238 V CB 0.916 32.693 31.823 -0.076 0.000 0.987 238 V HN 0.160 nan 8.190 nan 0.000 0.436 239 F N 0.860 120.808 119.950 -0.003 0.000 2.695 239 F HA 0.275 4.802 4.527 -0.000 0.000 0.303 239 F C 1.098 176.921 175.800 0.038 0.000 1.091 239 F CA -0.288 57.722 58.000 0.017 0.000 1.300 239 F CB 0.479 39.490 39.000 0.019 0.000 1.071 239 F HN 0.436 nan 8.300 nan 0.000 0.578 240 D N 0.973 121.454 120.400 0.136 0.000 2.380 240 D HA -0.041 4.599 4.640 -0.000 0.000 0.230 240 D C 1.325 177.600 176.300 -0.042 0.000 1.154 240 D CA -0.473 53.555 54.000 0.047 0.000 0.859 240 D CB 0.451 41.242 40.800 -0.015 0.000 1.045 240 D HN 0.335 nan 8.370 nan 0.000 0.495 241 W N 4.469 125.759 121.300 -0.016 0.000 2.341 241 W HA -0.188 4.471 4.660 -0.000 0.000 0.283 241 W C 0.463 176.984 176.519 0.003 0.000 1.215 241 W CA 0.213 57.533 57.345 -0.041 0.000 1.211 241 W CB -0.744 28.690 29.460 -0.044 0.000 1.131 241 W HN 0.290 nan 8.180 nan 0.000 0.552 242 N N 1.073 119.468 118.700 -0.509 0.000 2.290 242 N HA -0.142 4.598 4.740 -0.000 0.000 0.179 242 N C 1.794 177.112 175.510 -0.320 0.000 1.016 242 N CA 1.460 54.348 53.050 -0.270 0.000 0.871 242 N CB -0.489 37.855 38.487 -0.239 0.000 0.987 242 N HN 0.414 nan 8.380 nan 0.000 0.431 243 E N 0.741 120.437 120.200 -0.841 0.000 2.077 243 E HA -0.136 4.213 4.350 -0.000 0.000 0.193 243 E C 1.827 177.999 176.600 -0.714 0.000 0.989 243 E CA 0.917 56.376 56.400 -1.569 0.000 0.800 243 E CB 0.039 28.731 29.700 -1.680 0.000 0.746 243 E HN 0.088 nan 8.360 nan 0.000 0.452 244 S N -0.117 115.305 115.700 -0.463 0.000 2.343 244 S HA -0.183 4.287 4.470 -0.000 0.000 0.219 244 S C 2.090 176.496 174.600 -0.324 0.000 1.033 244 S CA 1.567 59.532 58.200 -0.392 0.000 1.014 244 S CB -0.415 62.624 63.200 -0.268 0.000 0.915 244 S HN 0.443 nan 8.310 nan 0.000 0.435 245 A N 0.550 123.304 122.820 -0.111 0.000 1.883 245 A HA -0.042 4.277 4.320 -0.000 0.000 0.217 245 A C 2.069 179.684 177.584 0.051 0.000 1.186 245 A CA 1.830 53.947 52.037 0.133 0.000 0.624 245 A CB -1.168 18.174 19.000 0.570 0.000 0.822 245 A HN 0.712 nan 8.150 nan 0.000 0.444 246 F N 1.152 120.893 119.950 -0.350 0.000 2.113 246 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 246 F C 2.527 178.165 175.800 -0.271 0.000 1.103 246 F CA 2.033 59.705 58.000 -0.547 0.000 1.248 246 F CB -0.294 38.303 39.000 -0.672 0.000 0.999 246 F HN 0.186 nan 8.300 nan 0.000 0.475 247 S N -0.139 115.461 115.700 -0.166 0.000 2.402 247 S HA -0.134 4.335 4.470 -0.000 0.000 0.229 247 S C 2.107 176.475 174.600 -0.387 0.000 1.021 247 S CA 1.155 59.181 58.200 -0.290 0.000 0.974 247 S CB -0.425 62.407 63.200 -0.614 0.000 0.800 247 S HN 0.262 nan 8.310 nan 0.000 0.484 248 V N 1.505 121.159 119.914 -0.433 0.000 2.283 248 V HA -0.131 3.989 4.120 -0.000 0.000 0.243 248 V C 2.136 178.018 176.094 -0.353 0.000 1.039 248 V CA 1.527 63.578 62.300 -0.414 0.000 1.016 248 V CB -0.554 30.915 31.823 -0.589 0.000 0.650 248 V HN 0.551 nan 8.190 nan 0.000 0.449 249 H N -0.329 118.639 119.070 -0.170 0.000 2.465 249 H HA 0.252 4.808 4.556 -0.000 0.000 0.289 249 H C 2.033 177.187 175.328 -0.290 0.000 1.022 249 H CA 1.312 57.253 56.048 -0.178 0.000 1.340 249 H CB 0.085 29.683 29.762 -0.273 0.000 1.437 249 H HN 0.457 nan 8.280 nan 0.000 0.539 250 A N 0.537 123.129 122.820 -0.380 0.000 2.308 250 A HA 0.327 4.646 4.320 -0.000 0.000 0.217 250 A C 1.591 178.950 177.584 -0.374 0.000 1.216 250 A CA 0.160 51.858 52.037 -0.565 0.000 0.864 250 A CB 0.336 18.866 19.000 -0.783 0.000 0.902 250 A HN 0.145 nan 8.150 nan 0.000 0.499 251 V N -2.766 116.984 119.914 -0.273 0.000 4.178 251 V HA 0.026 4.146 4.120 -0.000 0.000 0.173 251 V C 1.672 177.659 176.094 -0.177 0.000 1.265 251 V CA 0.594 62.806 62.300 -0.147 0.000 1.269 251 V CB -1.151 30.669 31.823 -0.006 0.000 1.466 251 V HN 0.455 nan 8.190 nan 0.000 0.573 252 Y N 1.634 121.831 120.300 -0.171 0.000 2.089 252 Y HA -0.273 4.277 4.550 -0.000 0.000 0.282 252 Y C 2.299 178.214 175.900 0.025 0.000 1.139 252 Y CA 2.715 60.769 58.100 -0.076 0.000 1.123 252 Y CB -0.048 38.355 38.460 -0.095 0.000 0.980 252 Y HN 0.468 nan 8.280 nan 0.000 0.493 253 D N -0.312 120.077 120.400 -0.018 0.000 2.269 253 D HA -0.073 4.566 4.640 -0.000 0.000 0.208 253 D C 1.949 178.299 176.300 0.084 0.000 0.963 253 D CA 1.012 55.036 54.000 0.040 0.000 0.864 253 D CB -0.173 40.766 40.800 0.232 0.000 0.936 253 D HN 0.437 nan 8.370 nan 0.000 0.505 254 A N -0.572 122.275 122.820 0.045 0.000 2.067 254 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 254 A C 1.971 179.515 177.584 -0.066 0.000 1.156 254 A CA 0.653 52.744 52.037 0.089 0.000 0.683 254 A CB -0.158 18.723 19.000 -0.198 0.000 0.808 254 A HN 0.302 nan 8.150 nan 0.000 0.455 255 L N -3.227 117.866 121.223 -0.218 0.000 2.471 255 L HA 0.195 4.534 4.340 -0.000 0.000 0.186 255 L C 2.226 179.025 176.870 -0.117 0.000 1.191 255 L CA 0.573 55.279 54.840 -0.222 0.000 0.835 255 L CB -0.846 40.969 42.059 -0.407 0.000 1.092 255 L HN 0.345 nan 8.230 nan 0.000 0.495 256 F N 1.434 121.182 119.950 -0.337 0.000 2.046 256 F HA -0.150 4.377 4.527 -0.000 0.000 0.297 256 F C 2.165 177.859 175.800 -0.177 0.000 1.123 256 F CA 1.884 59.703 58.000 -0.302 0.000 1.199 256 F CB -0.805 37.843 39.000 -0.588 0.000 0.972 256 F HN 0.043 nan 8.300 nan 0.000 0.474 257 G N -0.337 108.329 108.800 -0.223 0.000 2.446 257 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 257 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 257 G C 1.516 176.294 174.900 -0.203 0.000 1.168 257 G CA 0.794 45.837 45.100 -0.094 0.000 0.771 257 G HN 0.372 nan 8.290 nan 0.000 0.551 258 Q N -0.555 119.097 119.800 -0.248 0.000 2.124 258 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 258 Q C 2.214 178.117 176.000 -0.160 0.000 0.977 258 Q CA 0.834 56.465 55.803 -0.288 0.000 0.850 258 Q CB -0.411 28.154 28.738 -0.289 0.000 0.901 258 Q HN 0.565 nan 8.270 nan 0.000 0.429 259 F N 0.686 120.483 119.950 -0.255 0.000 2.084 259 F HA -0.191 4.336 4.527 -0.000 0.000 0.296 259 F C 2.210 177.878 175.800 -0.220 0.000 1.111 259 F CA 1.013 58.901 58.000 -0.186 0.000 1.224 259 F CB -0.365 38.530 39.000 -0.174 0.000 0.991 259 F HN -0.199 nan 8.300 nan 0.000 0.471 260 V N 1.220 120.838 119.914 -0.493 0.000 2.255 260 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 260 V C 2.552 178.520 176.094 -0.209 0.000 1.051 260 V CA 2.428 64.365 62.300 -0.606 0.000 1.018 260 V CB -0.789 30.364 31.823 -1.118 0.000 0.641 260 V HN 0.282 nan 8.190 nan 0.000 0.445 261 R N -0.553 119.790 120.500 -0.262 0.000 2.070 261 R HA -0.151 4.189 4.340 -0.000 0.000 0.233 261 R C 2.582 178.850 176.300 -0.054 0.000 1.137 261 R CA 1.945 58.004 56.100 -0.068 0.000 0.945 261 R CB -0.356 29.939 30.300 -0.009 0.000 0.845 261 R HN 0.406 nan 8.270 nan 0.000 0.430 262 R N 0.423 120.849 120.500 -0.124 0.000 2.075 262 R HA -0.036 4.303 4.340 -0.000 0.000 0.220 262 R C 1.480 177.690 176.300 -0.150 0.000 1.118 262 R CA 0.865 56.897 56.100 -0.113 0.000 0.986 262 R CB 0.313 30.549 30.300 -0.106 0.000 0.884 262 R HN 0.064 nan 8.270 nan 0.000 0.439 263 E N -0.603 119.429 120.200 -0.279 0.000 2.481 263 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 263 E C 0.701 177.071 176.600 -0.384 0.000 1.047 263 E CA 0.452 56.621 56.400 -0.385 0.000 0.867 263 E CB 0.259 29.599 29.700 -0.600 0.000 0.858 263 E HN 0.295 nan 8.360 nan 0.000 0.513 264 F N -1.083 118.613 119.950 -0.423 0.000 2.373 264 F HA 0.120 4.647 4.527 -0.000 0.000 0.253 264 F C 1.572 177.227 175.800 -0.242 0.000 0.954 264 F CA 0.030 57.836 58.000 -0.323 0.000 1.136 264 F CB -0.313 38.480 39.000 -0.345 0.000 1.342 264 F HN -0.193 nan 8.300 nan 0.000 0.701 265 F N 1.242 121.357 119.950 0.274 0.000 2.113 265 F HA -0.146 4.380 4.527 -0.000 0.000 0.297 265 F C 2.588 178.364 175.800 -0.041 0.000 1.103 265 F CA 1.755 59.856 58.000 0.167 0.000 1.248 265 F CB -0.858 38.088 39.000 -0.090 0.000 0.999 265 F HN 0.138 nan 8.300 nan 0.000 0.475 266 Q N 0.804 120.637 119.800 0.056 0.000 2.084 266 Q HA -0.195 4.144 4.340 -0.000 0.000 0.202 266 Q C 2.284 178.242 176.000 -0.070 0.000 0.978 266 Q CA 1.693 57.480 55.803 -0.028 0.000 0.844 266 Q CB -0.239 28.468 28.738 -0.051 0.000 0.898 266 Q HN 0.291 nan 8.270 nan 0.000 0.426 267 R N -0.831 119.602 120.500 -0.112 0.000 2.090 267 R HA 0.006 4.346 4.340 -0.000 0.000 0.228 267 R C 1.751 177.924 176.300 -0.211 0.000 1.110 267 R CA 1.237 57.247 56.100 -0.151 0.000 0.973 267 R CB 0.037 30.242 30.300 -0.159 0.000 0.869 267 R HN 0.365 nan 8.270 nan 0.000 0.440 268 L N -0.863 120.185 121.223 -0.292 0.000 2.408 268 L HA 0.252 4.592 4.340 -0.000 0.000 0.215 268 L C 2.496 179.056 176.870 -0.517 0.000 1.081 268 L CA 0.452 55.053 54.840 -0.399 0.000 0.840 268 L CB -0.353 41.379 42.059 -0.544 0.000 1.002 268 L HN 0.161 nan 8.230 nan 0.000 0.468 269 A N 1.587 124.151 122.820 -0.428 0.000 1.884 269 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 269 A C -0.059 177.331 177.584 -0.323 0.000 1.197 269 A CA 2.092 53.874 52.037 -0.425 0.000 0.637 269 A CB -1.868 17.215 19.000 0.139 0.000 0.827 269 A HN 0.247 nan 8.150 nan 0.000 0.450 270 P HA -0.174 nan 4.420 nan 0.000 0.216 270 P C 1.296 178.466 177.300 -0.217 0.000 1.150 270 P CA 1.441 64.456 63.100 -0.143 0.000 0.843 270 P CB -0.173 31.458 31.700 -0.114 0.000 0.787 271 R N -1.943 118.360 120.500 -0.328 0.000 2.241 271 R HA -0.049 4.291 4.340 -0.000 0.000 0.224 271 R C 0.761 176.654 176.300 -0.679 0.000 1.101 271 R CA 0.929 56.735 56.100 -0.490 0.000 0.995 271 R CB -0.556 29.374 30.300 -0.618 0.000 0.870 271 R HN 0.289 nan 8.270 nan 0.000 0.463 272 F N -0.469 119.193 119.950 -0.480 0.000 2.708 272 F HA 0.307 4.834 4.527 -0.000 0.000 0.300 272 F C 1.185 176.860 175.800 -0.208 0.000 1.118 272 F CA -0.104 57.660 58.000 -0.394 0.000 1.307 272 F CB 0.953 39.540 39.000 -0.689 0.000 0.986 272 F HN 0.055 nan 8.300 nan 0.000 0.522 273 G N 1.299 110.070 108.800 -0.048 0.000 2.249 273 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.273 273 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.273 273 G C -0.392 174.573 174.900 0.108 0.000 1.036 273 G CA 0.435 45.552 45.100 0.029 0.000 0.824 273 G HN 0.420 nan 8.290 nan 0.000 0.504 274 D N -0.419 120.033 120.400 0.086 0.000 2.441 274 D HA 0.442 5.082 4.640 -0.000 0.000 0.231 274 D C 0.903 177.308 176.300 0.176 0.000 1.073 274 D CA -0.882 53.239 54.000 0.202 0.000 0.850 274 D CB 0.236 41.227 40.800 0.319 0.000 1.062 274 D HN -0.031 nan 8.370 nan 0.000 0.524 275 N N 3.224 122.063 118.700 0.231 0.000 2.184 275 N HA 0.018 4.757 4.740 -0.000 0.000 0.206 275 N C 1.244 176.898 175.510 0.241 0.000 1.151 275 N CA -0.098 53.081 53.050 0.215 0.000 0.878 275 N CB 0.475 39.106 38.487 0.240 0.000 1.014 275 N HN 0.405 nan 8.380 nan 0.000 0.512 276 L N 1.029 122.381 121.223 0.216 0.000 2.007 276 L HA 0.014 4.353 4.340 -0.000 0.000 0.205 276 L C 1.939 178.999 176.870 0.315 0.000 1.073 276 L CA 1.906 56.825 54.840 0.133 0.000 0.744 276 L CB -1.128 40.933 42.059 0.005 0.000 0.898 276 L HN -0.032 nan 8.230 nan 0.000 0.435 277 T N 0.633 115.356 114.554 0.280 0.000 2.720 277 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 277 T C -0.566 174.228 174.700 0.156 0.000 1.037 277 T CA 1.960 64.191 62.100 0.219 0.000 1.144 277 T CB -1.232 67.648 68.868 0.020 0.000 0.864 277 T HN 0.309 nan 8.240 nan 0.000 0.444 278 P HA -0.032 nan 4.420 nan 0.000 0.221 278 P C 1.131 178.415 177.300 -0.025 0.000 1.145 278 P CA 0.601 63.715 63.100 0.022 0.000 0.795 278 P CB -0.171 31.545 31.700 0.027 0.000 0.775 279 F N -0.850 118.986 119.950 -0.191 0.000 2.146 279 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 279 F C 1.748 177.245 175.800 -0.506 0.000 1.096 279 F CA 1.545 59.242 58.000 -0.505 0.000 1.275 279 F CB -0.568 37.857 39.000 -0.958 0.000 1.008 279 F HN -0.199 nan 8.300 nan 0.000 0.480 280 F N 0.093 120.055 119.950 0.020 0.000 2.293 280 F HA -0.016 4.511 4.527 -0.000 0.000 0.297 280 F C 2.199 177.952 175.800 -0.078 0.000 1.089 280 F CA 0.890 58.883 58.000 -0.012 0.000 1.377 280 F CB -0.590 38.521 39.000 0.184 0.000 1.051 280 F HN -0.109 nan 8.300 nan 0.000 0.511 281 I N 0.038 120.665 120.570 0.096 0.000 2.493 281 I HA -0.265 3.905 4.170 -0.000 0.000 0.254 281 I C 1.898 177.963 176.117 -0.088 0.000 1.160 281 I CA 0.742 62.060 61.300 0.031 0.000 1.445 281 I CB -0.472 37.504 38.000 -0.041 0.000 1.086 281 I HN 0.141 nan 8.210 nan 0.000 0.433 282 N N 0.817 119.401 118.700 -0.194 0.000 2.149 282 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 282 N C 1.836 177.171 175.510 -0.292 0.000 1.019 282 N CA 1.308 54.210 53.050 -0.247 0.000 0.857 282 N CB -0.157 38.109 38.487 -0.368 0.000 0.997 282 N HN 0.505 nan 8.380 nan 0.000 0.426 283 Q N 0.209 119.768 119.800 -0.402 0.000 2.020 283 Q HA 0.071 4.411 4.340 -0.000 0.000 0.198 283 Q C 2.178 177.717 176.000 -0.767 0.000 0.974 283 Q CA 1.364 56.789 55.803 -0.628 0.000 0.829 283 Q CB -0.194 28.166 28.738 -0.631 0.000 0.894 283 Q HN 0.352 nan 8.270 nan 0.000 0.433 284 A N 0.998 123.575 122.820 -0.405 0.000 1.948 284 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 284 A C 2.054 179.656 177.584 0.031 0.000 1.177 284 A CA 1.479 53.435 52.037 -0.134 0.000 0.636 284 A CB -0.433 18.630 19.000 0.104 0.000 0.815 284 A HN 0.264 nan 8.150 nan 0.000 0.449 285 Q N -0.770 119.029 119.800 -0.002 0.000 2.123 285 Q HA -0.081 4.259 4.340 -0.000 0.000 0.199 285 Q C 2.192 178.281 176.000 0.148 0.000 0.966 285 Q CA 1.855 57.712 55.803 0.091 0.000 0.845 285 Q CB -1.077 27.673 28.738 0.020 0.000 0.907 285 Q HN 0.676 nan 8.270 nan 0.000 0.439 286 T N 0.715 115.293 114.554 0.041 0.000 2.746 286 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 286 T C 1.765 176.642 174.700 0.295 0.000 1.039 286 T CA 1.048 63.218 62.100 0.116 0.000 1.142 286 T CB -0.383 68.516 68.868 0.052 0.000 0.866 286 T HN 0.391 nan 8.240 nan 0.000 0.444 287 Y N -0.180 120.191 120.300 0.118 0.000 2.181 287 Y HA -0.141 4.409 4.550 -0.000 0.000 0.288 287 Y C 2.329 178.321 175.900 0.153 0.000 1.146 287 Y CA 0.639 58.819 58.100 0.134 0.000 1.164 287 Y CB -0.391 38.153 38.460 0.140 0.000 0.982 287 Y HN 0.161 nan 8.280 nan 0.000 0.515 288 F N 1.524 121.617 119.950 0.239 0.000 2.134 288 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 288 F C 2.347 178.225 175.800 0.130 0.000 1.097 288 F CA 1.477 59.579 58.000 0.170 0.000 1.264 288 F CB -0.271 38.824 39.000 0.158 0.000 1.001 288 F HN -0.028 nan 8.300 nan 0.000 0.479 289 Q N 0.314 120.260 119.800 0.245 0.000 2.224 289 Q HA -0.087 4.253 4.340 -0.000 0.000 0.203 289 Q C 2.478 178.497 176.000 0.031 0.000 0.970 289 Q CA 1.387 57.268 55.803 0.129 0.000 0.865 289 Q CB -0.307 28.546 28.738 0.192 0.000 0.922 289 Q HN 0.544 nan 8.270 nan 0.000 0.445 290 I N 0.134 120.746 120.570 0.071 0.000 2.333 290 I HA -0.187 3.983 4.170 -0.000 0.000 0.246 290 I C 2.146 178.274 176.117 0.019 0.000 1.106 290 I CA 0.864 62.208 61.300 0.074 0.000 1.411 290 I CB -0.212 37.867 38.000 0.131 0.000 1.082 290 I HN 0.037 nan 8.210 nan 0.000 0.420 291 A N 0.450 123.212 122.820 -0.098 0.000 1.968 291 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 291 A C 2.342 179.617 177.584 -0.515 0.000 1.169 291 A CA 1.444 53.249 52.037 -0.386 0.000 0.638 291 A CB -0.437 18.186 19.000 -0.628 0.000 0.812 291 A HN 0.303 nan 8.150 nan 0.000 0.446 292 K N -0.213 119.931 120.400 -0.428 0.000 2.063 292 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 292 K C 2.171 178.690 176.600 -0.135 0.000 1.048 292 K CA 1.853 57.947 56.287 -0.321 0.000 0.928 292 K CB -0.221 32.114 32.500 -0.274 0.000 0.713 292 K HN 0.648 nan 8.250 nan 0.000 0.442 293 Q N -0.793 118.977 119.800 -0.050 0.000 2.084 293 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 293 Q C 2.141 178.215 176.000 0.125 0.000 0.978 293 Q CA 1.475 57.307 55.803 0.048 0.000 0.844 293 Q CB -0.166 28.615 28.738 0.072 0.000 0.898 293 Q HN 0.525 nan 8.270 nan 0.000 0.426 294 G N 0.113 109.019 108.800 0.175 0.000 2.394 294 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.215 294 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.215 294 G C 1.519 176.658 174.900 0.398 0.000 1.165 294 G CA 0.607 45.979 45.100 0.454 0.000 0.784 294 G HN 0.186 nan 8.290 nan 0.000 0.535 295 V N 0.660 120.548 119.914 -0.043 0.000 2.343 295 V HA -0.265 3.854 4.120 -0.000 0.000 0.247 295 V C 2.910 179.009 176.094 0.009 0.000 1.051 295 V CA 2.264 64.490 62.300 -0.123 0.000 1.036 295 V CB -0.638 30.966 31.823 -0.364 0.000 0.654 295 V HN 0.421 nan 8.190 nan 0.000 0.451 296 Q N -0.398 119.400 119.800 -0.004 0.000 2.084 296 Q HA -0.275 4.064 4.340 -0.000 0.000 0.202 296 Q C 2.109 178.167 176.000 0.095 0.000 0.978 296 Q CA 2.076 57.893 55.803 0.024 0.000 0.844 296 Q CB -0.277 28.567 28.738 0.178 0.000 0.898 296 Q HN 0.756 nan 8.270 nan 0.000 0.426 297 D N 0.074 120.576 120.400 0.170 0.000 2.117 297 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 297 D C 1.735 178.161 176.300 0.210 0.000 0.987 297 D CA 0.728 54.859 54.000 0.218 0.000 0.829 297 D CB 0.062 41.022 40.800 0.266 0.000 0.961 297 D HN 0.103 nan 8.370 nan 0.000 0.460 298 L N -0.633 120.671 121.223 0.136 0.000 2.023 298 L HA -0.055 4.284 4.340 -0.000 0.000 0.205 298 L C 1.687 178.386 176.870 -0.285 0.000 1.073 298 L CA 1.667 56.407 54.840 -0.166 0.000 0.745 298 L CB -0.953 40.742 42.059 -0.607 0.000 0.900 298 L HN 0.193 nan 8.230 nan 0.000 0.435 299 Y N -2.335 117.962 120.300 -0.005 0.000 2.475 299 Y HA -0.087 4.463 4.550 -0.000 0.000 0.289 299 Y C 1.713 177.627 175.900 0.023 0.000 1.121 299 Y CA 1.335 59.414 58.100 -0.035 0.000 1.257 299 Y CB -0.152 38.299 38.460 -0.015 0.000 1.026 299 Y HN 0.218 nan 8.280 nan 0.000 0.555 300 Y N -1.743 118.724 120.300 0.279 0.000 2.439 300 Y HA -0.036 4.514 4.550 -0.000 0.000 0.281 300 Y C 2.345 178.318 175.900 0.123 0.000 1.145 300 Y CA 0.158 58.372 58.100 0.190 0.000 1.252 300 Y CB -0.523 38.036 38.460 0.165 0.000 1.271 300 Y HN -0.070 nan 8.280 nan 0.000 0.516 301 N N 0.124 118.983 118.700 0.265 0.000 2.104 301 N HA -0.193 4.546 4.740 -0.000 0.000 0.190 301 N C 1.459 177.036 175.510 0.112 0.000 1.024 301 N CA 1.722 54.869 53.050 0.162 0.000 0.853 301 N CB -0.104 38.465 38.487 0.136 0.000 1.008 301 N HN 0.299 nan 8.380 nan 0.000 0.424 302 C N -0.179 119.180 119.300 0.099 0.000 2.564 302 C HA 0.187 4.647 4.460 -0.000 0.000 0.281 302 C C 2.666 177.670 174.990 0.023 0.000 1.314 302 C CA -0.099 58.949 59.018 0.050 0.000 1.706 302 C CB -0.962 26.807 27.740 0.049 0.000 2.109 302 C HN 0.428 nan 8.230 nan 0.000 0.502 303 L N 0.824 122.066 121.223 0.032 0.000 2.130 303 L HA 0.155 4.494 4.340 -0.000 0.000 0.200 303 L C 2.808 179.737 176.870 0.099 0.000 1.075 303 L CA 1.572 56.429 54.840 0.027 0.000 0.768 303 L CB -1.294 40.787 42.059 0.037 0.000 0.933 303 L HN 0.455 nan 8.230 nan 0.000 0.451 304 G N -0.375 108.530 108.800 0.175 0.000 2.470 304 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 304 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 304 G C 0.672 175.655 174.900 0.138 0.000 1.121 304 G CA 0.851 46.068 45.100 0.195 0.000 0.766 304 G HN 0.315 nan 8.290 nan 0.000 0.553 305 D N 0.068 120.542 120.400 0.123 0.000 2.501 305 D HA 0.100 4.740 4.640 -0.000 0.000 0.224 305 D C 0.035 176.375 176.300 0.066 0.000 1.202 305 D CA -0.418 53.633 54.000 0.086 0.000 0.829 305 D CB 0.257 41.107 40.800 0.084 0.000 1.023 305 D HN 0.214 nan 8.370 nan 0.000 0.499 306 D N 1.608 122.053 120.400 0.075 0.000 2.493 306 D HA -0.038 4.602 4.640 -0.000 0.000 0.240 306 D C -1.438 174.893 176.300 0.052 0.000 1.142 306 D CA -1.182 52.861 54.000 0.072 0.000 0.872 306 D CB 2.022 42.894 40.800 0.120 0.000 1.173 306 D HN -0.088 nan 8.370 nan 0.000 0.467 307 P HA -0.136 nan 4.420 nan 0.000 0.217 307 P C 0.795 178.054 177.300 -0.069 0.000 1.148 307 P CA 1.179 64.273 63.100 -0.011 0.000 0.828 307 P CB 0.280 31.976 31.700 -0.007 0.000 0.783 308 E N -2.605 117.525 120.200 -0.117 0.000 2.434 308 E HA 0.086 4.436 4.350 -0.000 0.000 0.207 308 E C 0.487 176.701 176.600 -0.643 0.000 0.929 308 E CA 0.108 56.268 56.400 -0.399 0.000 1.001 308 E CB 0.247 29.617 29.700 -0.550 0.000 1.016 308 E HN 0.149 nan 8.360 nan 0.000 0.502 309 F N -0.016 119.935 119.950 0.001 0.000 2.735 309 F HA 0.290 4.817 4.527 -0.000 0.000 0.308 309 F C 1.774 177.621 175.800 0.079 0.000 1.112 309 F CA -0.251 57.780 58.000 0.052 0.000 1.235 309 F CB 0.709 39.735 39.000 0.044 0.000 1.027 309 F HN -0.060 nan 8.300 nan 0.000 0.528 310 S N 0.871 116.653 115.700 0.137 0.000 2.359 310 S HA -0.295 4.175 4.470 -0.000 0.000 0.223 310 S C 2.057 176.709 174.600 0.086 0.000 1.039 310 S CA 2.580 60.839 58.200 0.099 0.000 1.042 310 S CB -0.293 62.939 63.200 0.054 0.000 0.915 310 S HN 0.507 nan 8.310 nan 0.000 0.439 311 D N -1.044 119.401 120.400 0.075 0.000 2.097 311 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 311 D C 1.854 178.197 176.300 0.072 0.000 0.989 311 D CA 1.502 55.537 54.000 0.059 0.000 0.827 311 D CB -0.443 40.386 40.800 0.047 0.000 0.966 311 D HN 0.605 nan 8.370 nan 0.000 0.456 312 Y N 1.239 121.559 120.300 0.034 0.000 2.097 312 Y HA -0.216 4.334 4.550 -0.000 0.000 0.282 312 Y C 1.956 177.841 175.900 -0.024 0.000 1.152 312 Y CA 2.004 60.127 58.100 0.037 0.000 1.136 312 Y CB -0.626 37.918 38.460 0.141 0.000 0.975 312 Y HN -0.016 nan 8.280 nan 0.000 0.498 313 N N 0.508 119.146 118.700 -0.102 0.000 2.149 313 N HA -0.166 4.574 4.740 -0.000 0.000 0.188 313 N C 1.895 177.230 175.510 -0.292 0.000 1.019 313 N CA 1.629 54.524 53.050 -0.258 0.000 0.857 313 N CB -0.386 38.087 38.487 -0.023 0.000 0.997 313 N HN 0.485 nan 8.380 nan 0.000 0.426 314 R N 0.116 120.532 120.500 -0.139 0.000 2.092 314 R HA -0.005 4.335 4.340 -0.000 0.000 0.231 314 R C 2.045 178.248 176.300 -0.162 0.000 1.119 314 R CA 1.319 57.363 56.100 -0.093 0.000 0.970 314 R CB -0.493 29.802 30.300 -0.008 0.000 0.864 314 R HN 0.205 nan 8.270 nan 0.000 0.440 315 T N 0.899 115.329 114.554 -0.208 0.000 2.684 315 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 315 T C 2.026 176.516 174.700 -0.350 0.000 1.036 315 T CA 1.509 63.482 62.100 -0.213 0.000 1.148 315 T CB -0.184 68.561 68.868 -0.205 0.000 0.863 315 T HN 0.003 nan 8.240 nan 0.000 0.436 316 V N 1.475 121.023 119.914 -0.610 0.000 2.295 316 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 316 V C 2.493 177.939 176.094 -1.080 0.000 1.049 316 V CA 1.713 63.471 62.300 -0.902 0.000 1.024 316 V CB -0.628 30.491 31.823 -1.173 0.000 0.648 316 V HN 0.479 nan 8.190 nan 0.000 0.447 317 M N -0.676 118.388 119.600 -0.894 0.000 2.175 317 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 317 M C 2.450 178.607 176.300 -0.239 0.000 1.063 317 M CA 1.654 56.470 55.300 -0.806 0.000 1.119 317 M CB -0.482 31.651 32.600 -0.778 0.000 1.377 317 M HN 0.199 nan 8.290 nan 0.000 0.415 318 R N 0.757 121.191 120.500 -0.109 0.000 2.081 318 R HA -0.181 4.158 4.340 -0.000 0.000 0.235 318 R C 2.144 178.543 176.300 0.164 0.000 1.131 318 R CA 1.620 57.812 56.100 0.153 0.000 0.960 318 R CB -0.293 30.110 30.300 0.172 0.000 0.856 318 R HN 0.372 nan 8.270 nan 0.000 0.436 319 N N 0.300 119.000 118.700 0.000 0.000 2.084 319 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 319 N C 1.459 177.101 175.510 0.219 0.000 1.030 319 N CA 1.467 54.551 53.050 0.058 0.000 0.849 319 N CB -0.299 38.139 38.487 -0.082 0.000 1.012 319 N HN 0.276 nan 8.380 nan 0.000 0.423 320 W N 1.482 122.814 121.300 0.054 0.000 2.338 320 W HA -0.019 4.641 4.660 -0.000 0.000 0.304 320 W C 2.477 179.168 176.519 0.287 0.000 1.212 320 W CA 1.128 58.582 57.345 0.182 0.000 1.264 320 W CB -1.458 28.079 29.460 0.129 0.000 1.142 320 W HN 0.099 nan 8.180 nan 0.000 0.512 321 T N -0.215 114.597 114.554 0.430 0.000 2.720 321 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 321 T C 2.042 176.777 174.700 0.058 0.000 1.037 321 T CA 2.033 64.238 62.100 0.174 0.000 1.144 321 T CB -0.825 67.833 68.868 -0.351 0.000 0.864 321 T HN 0.270 nan 8.240 nan 0.000 0.444 322 G N 1.199 110.086 108.800 0.146 0.000 2.408 322 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 322 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 322 G C 1.475 176.460 174.900 0.142 0.000 1.150 322 G CA 0.973 46.237 45.100 0.274 0.000 0.776 322 G HN 0.480 nan 8.290 nan 0.000 0.542 323 K N -0.672 119.785 120.400 0.096 0.000 2.057 323 K HA -0.116 4.203 4.320 -0.000 0.000 0.207 323 K C 1.974 178.363 176.600 -0.352 0.000 1.049 323 K CA 1.278 57.476 56.287 -0.149 0.000 0.931 323 K CB -0.259 32.128 32.500 -0.187 0.000 0.714 323 K HN 0.500 nan 8.250 nan 0.000 0.440 324 W N 0.236 121.587 121.300 0.084 0.000 3.114 324 W HA 0.118 4.777 4.660 -0.000 0.000 0.279 324 W C 1.523 178.056 176.519 0.024 0.000 1.277 324 W CA -0.646 56.722 57.345 0.037 0.000 1.630 324 W CB 0.103 29.578 29.460 0.025 0.000 1.087 324 W HN 0.107 nan 8.180 nan 0.000 0.637 325 L N 1.091 122.420 121.223 0.176 0.000 2.046 325 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 325 L C 2.268 179.178 176.870 0.067 0.000 1.077 325 L CA 2.120 57.008 54.840 0.080 0.000 0.747 325 L CB -0.842 41.286 42.059 0.115 0.000 0.896 325 L HN 0.086 nan 8.230 nan 0.000 0.432 326 E N -0.526 119.712 120.200 0.062 0.000 2.031 326 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 326 E C -0.506 176.114 176.600 0.033 0.000 0.994 326 E CA 1.464 57.884 56.400 0.034 0.000 0.800 326 E CB -0.759 28.943 29.700 0.004 0.000 0.752 326 E HN 0.384 nan 8.360 nan 0.000 0.447 327 P HA -0.081 nan 4.420 nan 0.000 0.218 327 P C 1.048 178.421 177.300 0.121 0.000 1.149 327 P CA 1.464 64.604 63.100 0.066 0.000 0.817 327 P CB 0.010 31.770 31.700 0.100 0.000 0.785 328 T N -0.546 114.110 114.554 0.171 0.000 2.777 328 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 328 T C 1.764 176.509 174.700 0.075 0.000 1.040 328 T CA 0.973 63.184 62.100 0.186 0.000 1.141 328 T CB -0.819 68.125 68.868 0.126 0.000 0.868 328 T HN 0.072 nan 8.240 nan 0.000 0.444 329 I N 1.452 122.040 120.570 0.031 0.000 2.208 329 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 329 I C 2.944 179.079 176.117 0.031 0.000 1.097 329 I CA 1.144 62.449 61.300 0.008 0.000 1.363 329 I CB -0.507 37.496 38.000 0.004 0.000 1.051 329 I HN 0.201 nan 8.210 nan 0.000 0.413 330 A N 0.802 123.644 122.820 0.035 0.000 1.908 330 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 330 A C 2.559 180.171 177.584 0.046 0.000 1.181 330 A CA 1.952 54.008 52.037 0.032 0.000 0.627 330 A CB -0.841 18.169 19.000 0.017 0.000 0.818 330 A HN 0.446 nan 8.150 nan 0.000 0.445 331 A N -0.399 122.443 122.820 0.037 0.000 1.902 331 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 331 A C 2.197 179.886 177.584 0.175 0.000 1.181 331 A CA 1.560 53.581 52.037 -0.027 0.000 0.623 331 A CB -0.589 18.263 19.000 -0.247 0.000 0.818 331 A HN 0.478 nan 8.150 nan 0.000 0.443 332 L N -1.177 120.183 121.223 0.228 0.000 2.056 332 L HA -0.169 4.170 4.340 -0.000 0.000 0.207 332 L C 2.816 179.807 176.870 0.203 0.000 1.078 332 L CA 1.639 56.638 54.840 0.264 0.000 0.749 332 L CB -0.447 41.635 42.059 0.039 0.000 0.901 332 L HN 0.471 nan 8.230 nan 0.000 0.433 333 R N 0.427 120.995 120.500 0.113 0.000 2.080 333 R HA -0.221 4.119 4.340 -0.000 0.000 0.236 333 R C 1.821 178.188 176.300 0.111 0.000 1.137 333 R CA 2.399 58.550 56.100 0.084 0.000 0.943 333 R CB -0.299 30.030 30.300 0.047 0.000 0.846 333 R HN 0.294 nan 8.270 nan 0.000 0.431 334 D N -0.295 120.175 120.400 0.117 0.000 2.149 334 D HA -0.173 4.467 4.640 -0.000 0.000 0.198 334 D C 1.465 177.834 176.300 0.114 0.000 0.990 334 D CA 1.006 55.063 54.000 0.096 0.000 0.839 334 D CB -0.278 40.573 40.800 0.085 0.000 0.948 334 D HN 0.219 nan 8.370 nan 0.000 0.460 335 F N 0.660 120.651 119.950 0.069 0.000 2.293 335 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 335 F C 1.970 177.760 175.800 -0.016 0.000 1.086 335 F CA 0.771 58.782 58.000 0.018 0.000 1.375 335 F CB -0.054 39.071 39.000 0.208 0.000 1.045 335 F HN -0.139 nan 8.300 nan 0.000 0.516 336 M N -0.074 119.602 119.600 0.127 0.000 2.267 336 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 336 M C 2.508 178.861 176.300 0.088 0.000 1.063 336 M CA 1.269 56.702 55.300 0.223 0.000 1.090 336 M CB -2.270 30.457 32.600 0.212 0.000 1.392 336 M HN 0.254 nan 8.290 nan 0.000 0.422 337 G N 0.017 108.778 108.800 -0.064 0.000 2.470 337 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.220 337 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.220 337 G C 1.518 176.294 174.900 -0.206 0.000 1.121 337 G CA 0.383 45.431 45.100 -0.086 0.000 0.766 337 G HN 0.417 nan 8.290 nan 0.000 0.553 338 L N -0.271 120.641 121.223 -0.517 0.000 2.191 338 L HA 0.197 4.537 4.340 -0.000 0.000 0.212 338 L C 2.315 178.978 176.870 -0.345 0.000 1.103 338 L CA 1.168 55.595 54.840 -0.688 0.000 0.769 338 L CB -0.540 40.696 42.059 -1.372 0.000 0.908 338 L HN 0.258 nan 8.230 nan 0.000 0.438 339 F N -0.498 119.410 119.950 -0.070 0.000 2.216 339 F HA -0.154 4.373 4.527 -0.000 0.000 0.300 339 F C 2.447 178.275 175.800 0.047 0.000 1.085 339 F CA 0.934 58.971 58.000 0.061 0.000 1.326 339 F CB -0.668 38.376 39.000 0.073 0.000 1.027 339 F HN 0.193 nan 8.300 nan 0.000 0.497 340 A N -0.118 122.809 122.820 0.177 0.000 2.015 340 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 340 A C 2.197 179.853 177.584 0.119 0.000 1.163 340 A CA 1.141 53.252 52.037 0.123 0.000 0.646 340 A CB -0.320 18.725 19.000 0.074 0.000 0.806 340 A HN 0.114 nan 8.150 nan 0.000 0.448 341 K N -0.178 120.288 120.400 0.109 0.000 2.155 341 K HA 0.110 4.430 4.320 -0.000 0.000 0.203 341 K C 0.677 177.499 176.600 0.371 0.000 1.052 341 K CA 0.105 56.488 56.287 0.160 0.000 0.948 341 K CB -0.604 31.904 32.500 0.013 0.000 0.728 341 K HN 0.475 nan 8.250 nan 0.000 0.448 342 L N 2.367 123.804 121.223 0.357 0.000 2.492 342 L HA -0.011 4.329 4.340 -0.000 0.000 0.280 342 L C -1.957 175.049 176.870 0.227 0.000 1.240 342 L CA -1.470 53.515 54.840 0.241 0.000 0.831 342 L CB -0.397 41.717 42.059 0.091 0.000 1.100 342 L HN -0.082 nan 8.230 nan 0.000 0.505 343 P HA 0.087 nan 4.420 nan 0.000 0.271 343 P C -0.792 176.587 177.300 0.132 0.000 1.218 343 P CA -0.312 62.907 63.100 0.199 0.000 0.780 343 P CB 0.698 32.547 31.700 0.249 0.000 0.901 344 A N 2.734 125.612 122.820 0.097 0.000 2.561 344 A HA 0.377 4.697 4.320 -0.000 0.000 0.234 344 A C 1.604 179.206 177.584 0.030 0.000 1.055 344 A CA 0.903 52.976 52.037 0.060 0.000 0.756 344 A CB -1.356 17.673 19.000 0.048 0.000 0.986 344 A HN 0.891 nan 8.150 nan 0.000 0.505 345 G N 1.484 110.289 108.800 0.010 0.000 2.234 345 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.260 345 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.260 345 G C 1.101 175.968 174.900 -0.055 0.000 0.987 345 G CA 1.209 46.294 45.100 -0.025 0.000 0.625 345 G HN 1.144 nan 8.290 nan 0.000 0.532 346 T N -0.557 113.976 114.554 -0.034 0.000 2.665 346 T HA 0.179 4.529 4.350 -0.000 0.000 0.268 346 T C 1.163 175.807 174.700 -0.094 0.000 1.035 346 T CA 2.560 64.614 62.100 -0.077 0.000 1.151 346 T CB -0.117 68.779 68.868 0.047 0.000 0.862 346 T HN 1.214 nan 8.240 nan 0.000 0.438 347 T N 0.619 115.143 114.554 -0.051 0.000 2.786 347 T HA 0.463 4.813 4.350 -0.000 0.000 0.316 347 T C -2.383 172.271 174.700 -0.076 0.000 1.503 347 T CA -0.908 61.146 62.100 -0.076 0.000 1.019 347 T CB 1.788 70.606 68.868 -0.084 0.000 1.415 347 T HN 0.257 nan 8.240 nan 0.000 0.496 348 D N 0.875 121.216 120.400 -0.098 0.000 2.467 348 D HA 0.394 5.034 4.640 -0.000 0.000 0.245 348 D C 1.005 177.225 176.300 -0.134 0.000 1.038 348 D CA -0.876 53.069 54.000 -0.092 0.000 1.038 348 D CB 1.070 41.834 40.800 -0.060 0.000 1.278 348 D HN 0.590 nan 8.370 nan 0.000 0.564 349 K N -0.454 119.882 120.400 -0.106 0.000 2.211 349 K HA -0.227 4.093 4.320 -0.000 0.000 0.204 349 K C 1.529 178.084 176.600 -0.075 0.000 1.047 349 K CA 1.381 57.602 56.287 -0.110 0.000 0.935 349 K CB 0.080 32.544 32.500 -0.061 0.000 0.728 349 K HN 0.548 nan 8.250 nan 0.000 0.452 350 E N 0.517 120.687 120.200 -0.049 0.000 2.072 350 E HA -0.181 4.168 4.350 -0.000 0.000 0.191 350 E C 1.619 178.212 176.600 -0.010 0.000 0.985 350 E CA 1.167 57.558 56.400 -0.016 0.000 0.801 350 E CB 0.138 29.830 29.700 -0.014 0.000 0.750 350 E HN 0.401 nan 8.360 nan 0.000 0.452 351 E N 0.379 120.553 120.200 -0.043 0.000 2.077 351 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 351 E C 2.186 178.775 176.600 -0.019 0.000 0.989 351 E CA 0.850 57.230 56.400 -0.033 0.000 0.800 351 E CB -0.035 29.625 29.700 -0.066 0.000 0.746 351 E HN 0.306 nan 8.360 nan 0.000 0.452 352 I N 1.451 121.956 120.570 -0.108 0.000 2.118 352 I HA -0.260 3.910 4.170 -0.000 0.000 0.241 352 I C 2.422 178.568 176.117 0.048 0.000 1.070 352 I CA 1.613 62.845 61.300 -0.114 0.000 1.327 352 I CB -1.888 35.873 38.000 -0.399 0.000 1.034 352 I HN 0.097 nan 8.210 nan 0.000 0.405 353 T N 1.477 116.045 114.554 0.023 0.000 2.720 353 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 353 T C 2.057 176.888 174.700 0.219 0.000 1.037 353 T CA 1.659 63.812 62.100 0.088 0.000 1.144 353 T CB -0.419 68.523 68.868 0.123 0.000 0.864 353 T HN 0.485 nan 8.240 nan 0.000 0.444 354 A N 1.992 124.927 122.820 0.191 0.000 1.902 354 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 354 A C 2.619 180.337 177.584 0.223 0.000 1.181 354 A CA 2.163 54.327 52.037 0.211 0.000 0.623 354 A CB -0.939 18.127 19.000 0.110 0.000 0.818 354 A HN 0.617 nan 8.150 nan 0.000 0.443 355 S N -0.468 115.355 115.700 0.204 0.000 2.382 355 S HA -0.092 4.378 4.470 -0.000 0.000 0.228 355 S C 1.814 176.632 174.600 0.363 0.000 1.027 355 S CA 1.335 59.686 58.200 0.252 0.000 0.991 355 S CB -0.462 62.884 63.200 0.244 0.000 0.823 355 S HN 0.229 nan 8.310 nan 0.000 0.469 356 L N 0.678 122.089 121.223 0.314 0.000 1.994 356 L HA 0.044 4.383 4.340 -0.000 0.000 0.208 356 L C 2.457 179.376 176.870 0.081 0.000 1.071 356 L CA 1.794 56.702 54.840 0.113 0.000 0.745 356 L CB -1.788 40.188 42.059 -0.138 0.000 0.892 356 L HN 0.345 nan 8.230 nan 0.000 0.431 357 Y N -0.086 120.287 120.300 0.122 0.000 2.256 357 Y HA -0.255 4.295 4.550 -0.000 0.000 0.288 357 Y C 2.801 178.784 175.900 0.137 0.000 1.155 357 Y CA 1.151 59.321 58.100 0.116 0.000 1.203 357 Y CB -0.118 38.396 38.460 0.089 0.000 0.980 357 Y HN 0.173 nan 8.280 nan 0.000 0.530 358 R N -0.723 119.950 120.500 0.288 0.000 2.066 358 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 358 R C 2.185 178.622 176.300 0.228 0.000 1.131 358 R CA 1.634 57.869 56.100 0.224 0.000 0.955 358 R CB -0.769 29.637 30.300 0.175 0.000 0.851 358 R HN 0.184 nan 8.270 nan 0.000 0.432 359 V N 0.639 120.694 119.914 0.234 0.000 2.295 359 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 359 V C 2.400 178.659 176.094 0.275 0.000 1.049 359 V CA 1.674 64.112 62.300 0.231 0.000 1.024 359 V CB -0.338 31.624 31.823 0.230 0.000 0.648 359 V HN 0.131 nan 8.190 nan 0.000 0.447 360 V N 0.125 120.188 119.914 0.248 0.000 2.295 360 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 360 V C 2.275 178.618 176.094 0.414 0.000 1.049 360 V CA 2.189 64.688 62.300 0.331 0.000 1.024 360 V CB -0.737 31.216 31.823 0.217 0.000 0.648 360 V HN 0.541 nan 8.190 nan 0.000 0.447 361 D N 0.029 120.625 120.400 0.328 0.000 2.144 361 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 361 D C 1.923 178.374 176.300 0.252 0.000 0.984 361 D CA 1.338 55.501 54.000 0.272 0.000 0.834 361 D CB -0.341 40.594 40.800 0.226 0.000 0.955 361 D HN 0.415 nan 8.370 nan 0.000 0.465 362 D N -0.563 120.005 120.400 0.279 0.000 2.117 362 D HA -0.132 4.507 4.640 -0.000 0.000 0.198 362 D C 1.833 178.358 176.300 0.375 0.000 0.982 362 D CA 0.490 54.656 54.000 0.276 0.000 0.828 362 D CB -0.479 40.490 40.800 0.283 0.000 0.967 362 D HN 0.309 nan 8.370 nan 0.000 0.464 363 W N 1.683 123.162 121.300 0.298 0.000 2.338 363 W HA -0.103 4.557 4.660 -0.000 0.000 0.304 363 W C 2.032 178.776 176.519 0.375 0.000 1.212 363 W CA 1.109 58.703 57.345 0.414 0.000 1.264 363 W CB -0.487 29.117 29.460 0.241 0.000 1.142 363 W HN -0.112 nan 8.180 nan 0.000 0.512 364 I N 0.686 121.334 120.570 0.129 0.000 2.252 364 I HA -0.247 3.922 4.170 -0.000 0.000 0.245 364 I C 2.705 178.762 176.117 -0.099 0.000 1.102 364 I CA 1.946 63.178 61.300 -0.113 0.000 1.385 364 I CB -1.188 36.864 38.000 0.086 0.000 1.064 364 I HN 0.239 nan 8.210 nan 0.000 0.414 365 E N 0.505 120.706 120.200 0.001 0.000 2.072 365 E HA -0.229 4.121 4.350 -0.000 0.000 0.190 365 E C 1.697 178.238 176.600 -0.098 0.000 0.982 365 E CA 1.652 58.035 56.400 -0.028 0.000 0.803 365 E CB -0.565 29.149 29.700 0.023 0.000 0.755 365 E HN 0.476 nan 8.360 nan 0.000 0.453 366 D N -1.653 118.684 120.400 -0.104 0.000 2.249 366 D HA 0.066 4.706 4.640 -0.000 0.000 0.205 366 D C 1.091 177.052 176.300 -0.564 0.000 0.962 366 D CA 1.024 54.824 54.000 -0.335 0.000 0.860 366 D CB 0.109 40.647 40.800 -0.437 0.000 0.955 366 D HN 0.648 nan 8.370 nan 0.000 0.505 367 Y N -0.349 119.835 120.300 -0.194 0.000 3.105 367 Y HA 0.418 4.967 4.550 -0.000 0.000 0.216 367 Y C 2.212 177.857 175.900 -0.425 0.000 0.943 367 Y CA 0.005 57.969 58.100 -0.228 0.000 1.535 367 Y CB -0.837 37.566 38.460 -0.095 0.000 1.475 367 Y HN -0.153 nan 8.280 nan 0.000 0.435 368 A N 0.902 123.405 122.820 -0.527 0.000 1.927 368 A HA -0.275 4.045 4.320 -0.000 0.000 0.220 368 A C 2.263 179.756 177.584 -0.151 0.000 1.185 368 A CA 2.953 54.736 52.037 -0.424 0.000 0.639 368 A CB -1.314 17.223 19.000 -0.771 0.000 0.820 368 A HN 0.540 nan 8.150 nan 0.000 0.451 369 S N -0.992 114.593 115.700 -0.192 0.000 2.453 369 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 369 S C 1.794 176.298 174.600 -0.161 0.000 1.005 369 S CA 0.749 58.874 58.200 -0.124 0.000 0.949 369 S CB -0.297 62.840 63.200 -0.106 0.000 0.774 369 S HN 0.526 nan 8.310 nan 0.000 0.510 370 R N 1.752 122.064 120.500 -0.315 0.000 2.148 370 R HA 0.160 4.500 4.340 -0.000 0.000 0.227 370 R C 1.950 178.119 176.300 -0.217 0.000 1.103 370 R CA 1.217 57.058 56.100 -0.432 0.000 0.983 370 R CB -0.808 28.768 30.300 -1.207 0.000 0.874 370 R HN 0.813 nan 8.270 nan 0.000 0.451 371 I N -2.341 118.174 120.570 -0.090 0.000 3.974 371 I HA 0.238 4.408 4.170 -0.000 0.000 0.334 371 I C -0.906 175.254 176.117 0.072 0.000 1.437 371 I CA -0.207 61.124 61.300 0.053 0.000 1.113 371 I CB 0.337 38.434 38.000 0.161 0.000 1.063 371 I HN -0.201 nan 8.210 nan 0.000 0.400 372 D N 1.383 121.805 120.400 0.037 0.000 2.945 372 D HA -0.270 4.370 4.640 -0.000 0.000 0.225 372 D C -0.142 176.210 176.300 0.086 0.000 1.158 372 D CA 0.801 54.824 54.000 0.038 0.000 0.805 372 D CB -1.650 39.162 40.800 0.020 0.000 1.098 372 D HN 0.516 nan 8.370 nan 0.000 0.426 373 F N 1.904 121.846 119.950 -0.013 0.000 2.502 373 F HA 0.132 4.658 4.527 -0.000 0.000 0.371 373 F C 0.805 176.616 175.800 0.018 0.000 1.083 373 F CA -0.310 57.706 58.000 0.027 0.000 1.174 373 F CB 0.539 39.578 39.000 0.065 0.000 1.096 373 F HN -0.340 nan 8.300 nan 0.000 0.545 374 K N 6.698 126.829 120.400 -0.449 0.000 2.228 374 K HA 0.308 4.628 4.320 -0.000 0.000 0.284 374 K C -0.188 176.203 176.600 -0.347 0.000 1.088 374 K CA 0.004 56.108 56.287 -0.305 0.000 0.941 374 K CB 0.084 32.446 32.500 -0.231 0.000 1.158 374 K HN 0.620 nan 8.250 nan 0.000 0.438 375 A N 2.673 125.459 122.820 -0.057 0.000 2.306 375 A HA 0.223 4.543 4.320 -0.000 0.000 0.314 375 A C -0.317 177.351 177.584 0.141 0.000 1.164 375 A CA -0.629 51.504 52.037 0.160 0.000 0.822 375 A CB 0.570 19.827 19.000 0.428 0.000 1.130 375 A HN 0.556 nan 8.150 nan 0.000 0.496 376 D N 2.232 122.729 120.400 0.161 0.000 2.454 376 D HA 0.160 4.800 4.640 -0.000 0.000 0.225 376 D C 1.404 177.813 176.300 0.181 0.000 1.081 376 D CA -0.441 53.641 54.000 0.137 0.000 0.864 376 D CB 0.706 41.562 40.800 0.093 0.000 1.040 376 D HN 0.673 nan 8.370 nan 0.000 0.517 377 R N 2.928 123.557 120.500 0.215 0.000 2.096 377 R HA -0.180 4.160 4.340 -0.000 0.000 0.240 377 R C 0.680 177.119 176.300 0.231 0.000 1.139 377 R CA 1.234 57.491 56.100 0.263 0.000 0.952 377 R CB -0.300 30.214 30.300 0.356 0.000 0.854 377 R HN 0.274 nan 8.270 nan 0.000 0.436 378 D N 0.754 121.311 120.400 0.261 0.000 2.084 378 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 378 D C 2.215 178.580 176.300 0.108 0.000 0.990 378 D CA 1.143 55.284 54.000 0.235 0.000 0.826 378 D CB -0.236 40.679 40.800 0.193 0.000 0.971 378 D HN 0.297 nan 8.370 nan 0.000 0.453 379 Q N 0.555 120.413 119.800 0.095 0.000 2.084 379 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 379 Q C 2.622 178.648 176.000 0.043 0.000 0.978 379 Q CA 0.565 56.407 55.803 0.065 0.000 0.844 379 Q CB -0.382 28.398 28.738 0.070 0.000 0.898 379 Q HN 0.457 nan 8.270 nan 0.000 0.426 380 I N -0.172 120.429 120.570 0.053 0.000 2.142 380 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 380 I C 2.314 178.395 176.117 -0.059 0.000 1.078 380 I CA 0.843 62.156 61.300 0.021 0.000 1.343 380 I CB -0.427 37.609 38.000 0.059 0.000 1.046 380 I HN -0.032 nan 8.210 nan 0.000 0.405 381 V N 0.941 120.772 119.914 -0.140 0.000 2.287 381 V HA -0.336 3.783 4.120 -0.000 0.000 0.248 381 V C 2.519 178.525 176.094 -0.148 0.000 1.053 381 V CA 2.082 64.220 62.300 -0.271 0.000 1.027 381 V CB -0.712 30.703 31.823 -0.679 0.000 0.646 381 V HN 0.376 nan 8.190 nan 0.000 0.447 382 K N 0.199 120.557 120.400 -0.070 0.000 2.032 382 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 382 K C 2.201 178.791 176.600 -0.017 0.000 1.048 382 K CA 1.656 57.931 56.287 -0.019 0.000 0.927 382 K CB -0.516 31.994 32.500 0.018 0.000 0.712 382 K HN 0.437 nan 8.250 nan 0.000 0.441 383 A N 0.152 122.964 122.820 -0.013 0.000 1.908 383 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 383 A C 2.264 179.839 177.584 -0.014 0.000 1.181 383 A CA 1.871 53.905 52.037 -0.005 0.000 0.627 383 A CB -0.740 18.262 19.000 0.004 0.000 0.818 383 A HN 0.162 nan 8.150 nan 0.000 0.445 384 V N 0.170 120.060 119.914 -0.039 0.000 2.295 384 V HA -0.251 3.868 4.120 -0.000 0.000 0.246 384 V C 2.524 178.603 176.094 -0.025 0.000 1.049 384 V CA 1.902 64.177 62.300 -0.043 0.000 1.024 384 V CB -0.815 30.945 31.823 -0.106 0.000 0.648 384 V HN 0.585 nan 8.190 nan 0.000 0.447 385 L N 0.407 121.606 121.223 -0.040 0.000 2.189 385 L HA -0.215 4.125 4.340 -0.000 0.000 0.214 385 L C 2.627 179.500 176.870 0.005 0.000 1.097 385 L CA 1.356 56.185 54.840 -0.019 0.000 0.764 385 L CB -0.838 41.205 42.059 -0.026 0.000 0.900 385 L HN 0.398 nan 8.230 nan 0.000 0.436 386 A N 0.356 123.179 122.820 0.005 0.000 2.131 386 A HA -0.136 4.183 4.320 -0.000 0.000 0.220 386 A C 2.302 179.899 177.584 0.022 0.000 1.158 386 A CA 1.570 53.615 52.037 0.013 0.000 0.665 386 A CB -0.919 18.088 19.000 0.012 0.000 0.795 386 A HN 0.475 nan 8.150 nan 0.000 0.460 387 G N -0.889 107.929 108.800 0.031 0.000 2.650 387 G HA2 0.179 4.139 3.960 -0.000 0.000 0.214 387 G HA3 0.179 4.139 3.960 -0.000 0.000 0.214 387 G C 0.604 175.538 174.900 0.057 0.000 1.136 387 G CA -0.222 44.905 45.100 0.045 0.000 0.789 387 G HN 0.433 nan 8.290 nan 0.000 0.536 388 L N 1.805 123.063 121.223 0.060 0.000 2.678 388 L HA 0.115 4.455 4.340 -0.000 0.000 0.276 388 L C 0.695 177.596 176.870 0.052 0.000 1.142 388 L CA -0.089 54.794 54.840 0.071 0.000 0.961 388 L CB 0.293 42.378 42.059 0.043 0.000 1.291 388 L HN 0.146 nan 8.230 nan 0.000 0.476 389 K N 0.000 120.434 120.400 0.057 0.000 2.780 389 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 389 K CA 0.000 56.312 56.287 0.041 0.000 0.838 389 K CB 0.000 32.520 32.500 0.034 0.000 1.064 389 K HN 0.000 nan 8.250 nan 0.000 0.543