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 3mwv_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINPLSNSL LRHHNMVYAT TSRSASLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSIEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSRAVNHIR SVWEDLLEDT ETPIDTTIMA KSEVFCVQPX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQAVMGSS YGFQYSPKQR DATA SEQUENCE VEFLVNTWKS KKCPMGFSYD TRCFDSTVTE SDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIRSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAT DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAAALRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPINSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFTLHSYSPG EINRVASCLR KLGVPPLRTW DATA SEQUENCE RHRARSVRAK LLSQGGRAAT CGRYLFNWAV RTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.549 174.600 -0.085 0.000 1.055 1 S CA 0.000 58.166 58.200 -0.057 0.000 1.107 1 S CB 0.000 63.159 63.200 -0.068 0.000 0.593 2 M N 3.034 122.577 119.600 -0.095 0.000 2.200 2 M HA 0.280 4.760 4.480 -0.001 0.000 0.355 2 M C 1.843 177.998 176.300 -0.242 0.000 1.283 2 M CA -0.060 55.160 55.300 -0.134 0.000 1.124 2 M CB 0.701 33.252 32.600 -0.081 0.000 1.625 2 M HN 1.047 nan 8.290 nan 0.000 0.463 3 S N 2.945 118.408 115.700 -0.395 0.000 2.400 3 S HA -0.100 4.370 4.470 -0.001 0.000 0.232 3 S C 0.109 174.245 174.600 -0.774 0.000 1.025 3 S CA 1.015 58.851 58.200 -0.607 0.000 0.993 3 S CB -0.176 62.551 63.200 -0.789 0.000 0.808 3 S HN 0.645 nan 8.310 nan 0.000 0.478 4 Y N -0.444 119.687 120.300 -0.282 0.000 2.597 4 Y HA 0.603 5.153 4.550 -0.000 0.000 0.340 4 Y C -0.276 175.318 175.900 -0.510 0.000 1.097 4 Y CA -1.055 56.762 58.100 -0.473 0.000 1.037 4 Y CB 1.970 40.044 38.460 -0.643 0.000 1.305 4 Y HN -0.150 nan 8.280 nan 0.000 0.463 5 T N 1.271 115.525 114.554 -0.499 0.000 2.921 5 T HA 0.424 4.773 4.350 -0.001 0.000 0.297 5 T C -1.599 172.796 174.700 -0.508 0.000 1.013 5 T CA -0.828 61.069 62.100 -0.338 0.000 0.990 5 T CB 0.608 69.400 68.868 -0.126 0.000 1.023 5 T HN 0.456 nan 8.240 nan 0.000 0.447 6 W N 1.218 122.568 121.300 0.084 0.000 2.666 6 W HA 0.432 5.092 4.660 -0.000 0.000 0.334 6 W C 1.472 178.018 176.519 0.044 0.000 1.051 6 W CA -0.934 56.445 57.345 0.057 0.000 1.224 6 W CB 1.127 30.605 29.460 0.031 0.000 1.405 6 W HN 0.760 nan 8.180 nan 0.000 0.513 7 T N -2.214 112.504 114.554 0.274 0.000 3.054 7 T HA 0.321 4.671 4.350 -0.001 0.000 0.259 7 T C 1.420 176.204 174.700 0.141 0.000 1.092 7 T CA 0.964 63.161 62.100 0.162 0.000 1.121 7 T CB 0.019 68.961 68.868 0.122 0.000 0.912 7 T HN 1.148 nan 8.240 nan 0.000 0.489 8 G N 1.207 110.105 108.800 0.163 0.000 2.316 8 G HA2 0.071 4.031 3.960 -0.001 0.000 0.203 8 G HA3 0.071 4.031 3.960 -0.001 0.000 0.203 8 G C 0.388 175.322 174.900 0.057 0.000 0.999 8 G CA -0.156 44.997 45.100 0.089 0.000 0.649 8 G HN 1.054 nan 8.290 nan 0.000 0.489 9 A N 1.066 123.932 122.820 0.076 0.000 2.483 9 A HA 0.636 4.956 4.320 -0.001 0.000 0.238 9 A C 0.767 178.371 177.584 0.032 0.000 1.070 9 A CA 0.265 52.333 52.037 0.051 0.000 0.770 9 A CB 0.133 19.170 19.000 0.062 0.000 1.008 9 A HN 0.904 nan 8.150 nan 0.000 0.497 10 L N 1.654 122.881 121.223 0.005 0.000 2.418 10 L HA 0.323 4.663 4.340 -0.001 0.000 0.265 10 L C 0.085 176.944 176.870 -0.017 0.000 1.143 10 L CA -0.377 54.447 54.840 -0.026 0.000 0.809 10 L CB 0.661 42.704 42.059 -0.027 0.000 1.124 10 L HN 0.546 nan 8.230 nan 0.000 0.456 11 I N 1.738 122.278 120.570 -0.050 0.000 2.363 11 I HA 0.089 4.259 4.170 -0.001 0.000 0.292 11 I C 0.511 176.621 176.117 -0.012 0.000 1.075 11 I CA 0.031 61.315 61.300 -0.026 0.000 1.333 11 I CB 0.775 38.738 38.000 -0.061 0.000 1.415 11 I HN 0.692 nan 8.210 nan 0.000 0.502 12 T N 5.026 119.584 114.554 0.007 0.000 2.945 12 T HA 0.615 4.964 4.350 -0.001 0.000 0.286 12 T C -2.545 172.171 174.700 0.025 0.000 1.025 12 T CA -2.030 60.077 62.100 0.012 0.000 1.039 12 T CB 1.924 70.799 68.868 0.012 0.000 1.068 12 T HN 0.280 nan 8.240 nan 0.000 0.497 13 P HA 0.303 nan 4.420 nan 0.000 0.282 13 P C 0.455 177.777 177.300 0.036 0.000 1.259 13 P CA -0.767 62.356 63.100 0.038 0.000 0.826 13 P CB 0.943 32.667 31.700 0.039 0.000 1.064 14 C N -0.039 119.287 119.300 0.043 0.000 2.778 14 C HA 0.843 5.303 4.460 -0.001 0.000 0.294 14 C C 0.499 175.509 174.990 0.034 0.000 1.331 14 C CA -0.312 58.728 59.018 0.036 0.000 1.741 14 C CB -1.337 26.429 27.740 0.042 0.000 2.106 14 C HN 0.738 nan 8.230 nan 0.000 0.603 15 A N -0.011 122.832 122.820 0.038 0.000 2.490 15 A HA 0.735 5.054 4.320 -0.001 0.000 0.292 15 A C -0.435 177.176 177.584 0.045 0.000 1.047 15 A CA -0.037 52.023 52.037 0.039 0.000 0.632 15 A CB -0.533 18.492 19.000 0.041 0.000 1.323 15 A HN 1.642 nan 8.150 nan 0.000 0.448 16 A N 0.114 122.961 122.820 0.046 0.000 2.531 16 A HA 0.499 4.818 4.320 -0.001 0.000 0.236 16 A C 0.061 177.687 177.584 0.070 0.000 1.062 16 A CA 0.593 52.662 52.037 0.053 0.000 0.760 16 A CB -0.290 18.739 19.000 0.048 0.000 0.995 16 A HN 0.589 nan 8.150 nan 0.000 0.501 17 E N 1.746 121.994 120.200 0.079 0.000 2.129 17 E HA 0.257 4.607 4.350 -0.001 0.000 0.268 17 E C -0.839 175.844 176.600 0.138 0.000 0.900 17 E CA -0.696 55.767 56.400 0.104 0.000 0.755 17 E CB 1.161 30.915 29.700 0.090 0.000 1.117 17 E HN 0.590 nan 8.360 nan 0.000 0.410 18 E N 1.399 121.717 120.200 0.196 0.000 2.289 18 E HA 0.068 4.418 4.350 -0.001 0.000 0.278 18 E C 0.405 177.233 176.600 0.380 0.000 1.032 18 E CA 0.009 56.572 56.400 0.271 0.000 0.854 18 E CB 1.494 31.387 29.700 0.320 0.000 1.046 18 E HN 0.591 nan 8.360 nan 0.000 0.409 19 S N 1.854 117.768 115.700 0.358 0.000 2.593 19 S HA 0.190 4.659 4.470 -0.001 0.000 0.235 19 S C 0.462 175.339 174.600 0.462 0.000 1.059 19 S CA -0.234 58.179 58.200 0.356 0.000 0.953 19 S CB 0.634 63.972 63.200 0.230 0.000 0.897 19 S HN 0.202 nan 8.310 nan 0.000 0.507 20 K N 0.997 121.645 120.400 0.413 0.000 2.203 20 K HA 0.554 4.873 4.320 -0.001 0.000 0.251 20 K C -1.467 175.294 176.600 0.269 0.000 0.944 20 K CA -0.922 55.584 56.287 0.365 0.000 0.829 20 K CB 1.884 34.514 32.500 0.218 0.000 1.125 20 K HN 0.127 nan 8.250 nan 0.000 0.430 21 L N 3.905 125.305 121.223 0.295 0.000 2.361 21 L HA 0.255 4.595 4.340 -0.001 0.000 0.278 21 L C -2.428 174.424 176.870 -0.030 0.000 1.113 21 L CA -1.365 53.524 54.840 0.082 0.000 0.849 21 L CB 0.111 42.325 42.059 0.259 0.000 1.155 21 L HN 0.423 nan 8.230 nan 0.000 0.452 22 P HA 0.174 nan 4.420 nan 0.000 0.272 22 P C -0.702 176.480 177.300 -0.196 0.000 1.240 22 P CA -0.052 62.944 63.100 -0.173 0.000 0.791 22 P CB 0.449 32.028 31.700 -0.201 0.000 0.978 23 I N 2.145 122.576 120.570 -0.232 0.000 2.282 23 I HA 0.191 4.361 4.170 -0.001 0.000 0.290 23 I C 0.443 176.473 176.117 -0.145 0.000 1.090 23 I CA -0.079 61.060 61.300 -0.268 0.000 1.231 23 I CB -0.254 37.566 38.000 -0.301 0.000 1.434 23 I HN 0.282 nan 8.210 nan 0.000 0.487 24 N N 8.893 127.529 118.700 -0.105 0.000 2.296 24 N HA 0.361 5.100 4.740 -0.001 0.000 0.294 24 N C -2.000 173.486 175.510 -0.040 0.000 1.033 24 N CA -1.864 51.143 53.050 -0.072 0.000 0.839 24 N CB 3.020 41.462 38.487 -0.074 0.000 1.395 24 N HN 0.107 nan 8.380 nan 0.000 0.479 25 P HA -0.146 nan 4.420 nan 0.000 0.216 25 P C 1.592 178.890 177.300 -0.004 0.000 1.150 25 P CA 0.683 63.772 63.100 -0.020 0.000 0.837 25 P CB 0.588 32.273 31.700 -0.025 0.000 0.786 26 L N 0.589 121.809 121.223 -0.005 0.000 2.083 26 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 26 L C 2.706 179.627 176.870 0.085 0.000 1.083 26 L CA 2.325 57.177 54.840 0.021 0.000 0.752 26 L CB -1.900 40.153 42.059 -0.010 0.000 0.899 26 L HN 0.117 nan 8.230 nan 0.000 0.433 27 S N -1.886 113.843 115.700 0.048 0.000 2.446 27 S HA -0.083 4.386 4.470 -0.001 0.000 0.225 27 S C 1.793 176.413 174.600 0.034 0.000 1.016 27 S CA 0.695 58.924 58.200 0.049 0.000 0.943 27 S CB -0.611 62.609 63.200 0.033 0.000 0.786 27 S HN 0.391 nan 8.310 nan 0.000 0.508 28 N N 2.557 121.275 118.700 0.030 0.000 2.381 28 N HA -0.097 4.642 4.740 -0.001 0.000 0.182 28 N C 1.705 177.229 175.510 0.024 0.000 1.025 28 N CA 1.372 54.444 53.050 0.037 0.000 0.888 28 N CB -0.350 38.153 38.487 0.027 0.000 0.965 28 N HN 0.606 nan 8.380 nan 0.000 0.438 29 S N -1.022 114.691 115.700 0.021 0.000 2.489 29 S HA -0.033 4.436 4.470 -0.001 0.000 0.228 29 S C 1.678 176.282 174.600 0.007 0.000 0.995 29 S CA 0.349 58.545 58.200 -0.007 0.000 0.934 29 S CB -0.166 63.031 63.200 -0.005 0.000 0.771 29 S HN 0.340 nan 8.310 nan 0.000 0.522 30 L N 0.129 121.376 121.223 0.039 0.000 2.200 30 L HA 0.574 4.914 4.340 -0.001 0.000 0.200 30 L C 0.244 177.165 176.870 0.085 0.000 1.072 30 L CA 0.934 55.823 54.840 0.082 0.000 0.787 30 L CB 0.115 41.967 42.059 -0.347 0.000 0.957 30 L HN 0.469 nan 8.230 nan 0.000 0.459 31 L N -0.028 121.211 121.223 0.027 0.000 2.482 31 L HA 0.413 4.753 4.340 -0.001 0.000 0.269 31 L C 0.408 177.304 176.870 0.043 0.000 0.967 31 L CA -0.536 54.317 54.840 0.023 0.000 0.851 31 L CB 1.224 43.304 42.059 0.036 0.000 1.242 31 L HN 0.079 nan 8.230 nan 0.000 0.404 32 R N 1.855 122.349 120.500 -0.010 0.000 2.140 32 R HA 0.067 4.407 4.340 -0.001 0.000 0.213 32 R C 0.263 176.657 176.300 0.156 0.000 1.059 32 R CA 0.527 56.667 56.100 0.067 0.000 1.000 32 R CB -0.172 30.142 30.300 0.024 0.000 0.910 32 R HN 0.710 nan 8.270 nan 0.000 0.455 33 H N 1.849 120.930 119.070 0.019 0.000 3.319 33 H HA 0.015 4.570 4.556 -0.001 0.000 0.213 33 H C 1.096 176.382 175.328 -0.071 0.000 1.782 33 H CA -0.329 55.677 56.048 -0.069 0.000 1.339 33 H CB -0.322 29.423 29.762 -0.028 0.000 1.651 33 H HN 0.467 nan 8.280 nan 0.000 0.622 34 H N -0.888 118.285 119.070 0.171 0.000 2.460 34 H HA -0.153 4.403 4.556 -0.001 0.000 0.297 34 H C 1.406 176.825 175.328 0.152 0.000 1.103 34 H CA 1.218 57.350 56.048 0.140 0.000 1.292 34 H CB -0.048 29.771 29.762 0.095 0.000 1.376 34 H HN 0.342 nan 8.280 nan 0.000 0.531 35 N N 0.302 118.891 118.700 -0.184 0.000 2.459 35 N HA -0.036 4.704 4.740 -0.001 0.000 0.181 35 N C 1.186 176.749 175.510 0.087 0.000 1.046 35 N CA 1.070 54.121 53.050 0.002 0.000 0.904 35 N CB -0.037 38.384 38.487 -0.109 0.000 0.964 35 N HN 0.544 nan 8.380 nan 0.000 0.444 36 M N 0.116 119.778 119.600 0.104 0.000 2.595 36 M HA 0.067 4.547 4.480 -0.001 0.000 0.248 36 M C 0.022 176.474 176.300 0.253 0.000 1.119 36 M CA 0.326 55.718 55.300 0.152 0.000 1.079 36 M CB 0.588 33.272 32.600 0.140 0.000 1.472 36 M HN -0.261 nan 8.290 nan 0.000 0.501 37 V N 1.156 121.235 119.914 0.275 0.000 2.427 37 V HA 0.346 4.466 4.120 -0.001 0.000 0.286 37 V C -0.771 175.563 176.094 0.400 0.000 1.034 37 V CA -0.730 61.752 62.300 0.302 0.000 0.893 37 V CB 0.670 32.667 31.823 0.290 0.000 0.982 37 V HN 0.310 nan 8.190 nan 0.000 0.452 38 Y N 2.628 123.027 120.300 0.164 0.000 2.615 38 Y HA 0.921 5.471 4.550 -0.001 0.000 0.341 38 Y C -0.473 175.387 175.900 -0.066 0.000 1.089 38 Y CA -1.541 56.639 58.100 0.133 0.000 1.049 38 Y CB 1.571 40.104 38.460 0.122 0.000 1.296 38 Y HN 0.694 nan 8.280 nan 0.000 0.470 39 A N 1.477 124.214 122.820 -0.140 0.000 2.350 39 A HA 0.690 5.010 4.320 -0.001 0.000 0.324 39 A C -0.140 177.444 177.584 0.001 0.000 1.118 39 A CA -0.403 51.394 52.037 -0.400 0.000 0.783 39 A CB 0.528 19.102 19.000 -0.710 0.000 1.236 39 A HN 1.094 nan 8.150 nan 0.000 0.457 40 T N 0.040 114.595 114.554 0.003 0.000 2.898 40 T HA 0.563 4.913 4.350 -0.001 0.000 0.301 40 T C 0.427 175.176 174.700 0.081 0.000 1.049 40 T CA 0.406 62.590 62.100 0.141 0.000 1.095 40 T CB 0.819 69.785 68.868 0.163 0.000 0.976 40 T HN 1.505 nan 8.240 nan 0.000 0.539 41 T N -2.192 112.419 114.554 0.096 0.000 2.804 41 T HA 0.481 4.831 4.350 -0.001 0.000 0.290 41 T C 1.367 176.100 174.700 0.054 0.000 1.099 41 T CA -0.202 61.942 62.100 0.072 0.000 1.011 41 T CB 1.175 70.092 68.868 0.082 0.000 1.291 41 T HN 0.767 nan 8.240 nan 0.000 0.523 42 S N -0.094 115.631 115.700 0.041 0.000 2.469 42 S HA -0.085 4.385 4.470 -0.001 0.000 0.238 42 S C 1.742 176.345 174.600 0.006 0.000 0.998 42 S CA 0.300 58.512 58.200 0.020 0.000 0.957 42 S CB -0.689 62.522 63.200 0.018 0.000 0.764 42 S HN 0.703 nan 8.310 nan 0.000 0.514 43 R N 1.521 122.032 120.500 0.019 0.000 2.193 43 R HA -0.016 4.324 4.340 -0.001 0.000 0.229 43 R C 2.007 178.305 176.300 -0.004 0.000 1.110 43 R CA 1.408 57.513 56.100 0.008 0.000 0.988 43 R CB -0.434 29.879 30.300 0.021 0.000 0.871 43 R HN 0.724 nan 8.270 nan 0.000 0.458 44 S N -0.931 114.772 115.700 0.004 0.000 2.557 44 S HA 0.262 4.731 4.470 -0.001 0.000 0.223 44 S C 1.701 176.284 174.600 -0.028 0.000 0.969 44 S CA 0.107 58.304 58.200 -0.006 0.000 0.927 44 S CB 0.907 64.120 63.200 0.021 0.000 0.806 44 S HN 0.250 nan 8.310 nan 0.000 0.489 45 A N 3.016 125.809 122.820 -0.046 0.000 1.883 45 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 45 A C 2.503 179.992 177.584 -0.158 0.000 1.186 45 A CA 2.125 54.108 52.037 -0.090 0.000 0.624 45 A CB -1.476 17.464 19.000 -0.101 0.000 0.822 45 A HN 0.932 nan 8.150 nan 0.000 0.444 46 S N 0.024 115.626 115.700 -0.163 0.000 2.400 46 S HA -0.125 4.345 4.470 -0.001 0.000 0.232 46 S C 1.836 176.344 174.600 -0.153 0.000 1.025 46 S CA 1.543 59.618 58.200 -0.207 0.000 0.993 46 S CB -0.743 62.363 63.200 -0.157 0.000 0.808 46 S HN 0.460 nan 8.310 nan 0.000 0.478 47 L N 0.421 121.588 121.223 -0.093 0.000 2.093 47 L HA 0.034 4.373 4.340 -0.001 0.000 0.208 47 L C 3.070 179.916 176.870 -0.039 0.000 1.085 47 L CA 1.385 56.192 54.840 -0.054 0.000 0.755 47 L CB -0.382 41.657 42.059 -0.033 0.000 0.904 47 L HN 0.300 nan 8.230 nan 0.000 0.435 48 R N 0.313 120.784 120.500 -0.049 0.000 2.073 48 R HA -0.118 4.221 4.340 -0.001 0.000 0.229 48 R C 2.246 178.529 176.300 -0.029 0.000 1.120 48 R CA 1.393 57.483 56.100 -0.016 0.000 0.967 48 R CB -0.317 29.977 30.300 -0.009 0.000 0.862 48 R HN 0.313 nan 8.270 nan 0.000 0.436 49 Q N 0.279 119.986 119.800 -0.154 0.000 2.112 49 Q HA -0.253 4.087 4.340 -0.001 0.000 0.206 49 Q C 1.980 177.965 176.000 -0.024 0.000 0.987 49 Q CA 2.195 57.853 55.803 -0.243 0.000 0.858 49 Q CB -0.264 28.024 28.738 -0.750 0.000 0.905 49 Q HN 0.318 nan 8.270 nan 0.000 0.420 50 K N 1.217 121.593 120.400 -0.039 0.000 2.057 50 K HA -0.214 4.106 4.320 -0.001 0.000 0.207 50 K C 2.053 178.739 176.600 0.143 0.000 1.049 50 K CA 1.449 57.770 56.287 0.057 0.000 0.931 50 K CB -0.021 32.489 32.500 0.017 0.000 0.714 50 K HN -0.015 nan 8.250 nan 0.000 0.440 51 K N 0.719 121.194 120.400 0.125 0.000 2.103 51 K HA -0.067 4.253 4.320 -0.001 0.000 0.204 51 K C 1.657 178.450 176.600 0.322 0.000 1.052 51 K CA 1.290 57.681 56.287 0.173 0.000 0.945 51 K CB 0.191 32.759 32.500 0.115 0.000 0.722 51 K HN 0.207 nan 8.250 nan 0.000 0.443 52 V N -1.169 118.947 119.914 0.337 0.000 3.623 52 V HA 0.134 4.254 4.120 -0.001 0.000 0.271 52 V C 0.082 176.454 176.094 0.463 0.000 1.248 52 V CA 0.034 62.619 62.300 0.475 0.000 1.156 52 V CB 0.087 32.161 31.823 0.417 0.000 0.870 52 V HN -0.008 nan 8.190 nan 0.000 0.453 53 T N 4.418 119.247 114.554 0.458 0.000 2.801 53 T HA 0.728 5.078 4.350 -0.001 0.000 0.306 53 T C -0.779 174.117 174.700 0.327 0.000 1.020 53 T CA -0.047 62.267 62.100 0.358 0.000 0.948 53 T CB 0.207 69.369 68.868 0.490 0.000 0.962 53 T HN 0.644 nan 8.240 nan 0.000 0.465 54 F N -0.150 119.897 119.950 0.160 0.000 2.770 54 F HA 0.599 5.126 4.527 -0.001 0.000 0.313 54 F C -1.262 174.568 175.800 0.051 0.000 1.154 54 F CA -1.625 56.431 58.000 0.094 0.000 0.923 54 F CB 0.708 39.756 39.000 0.080 0.000 1.301 54 F HN 0.173 nan 8.300 nan 0.000 0.449 55 D N 1.503 122.045 120.400 0.237 0.000 2.308 55 D HA 0.363 5.002 4.640 -0.001 0.000 0.251 55 D C -0.434 176.005 176.300 0.231 0.000 1.127 55 D CA 0.019 54.094 54.000 0.124 0.000 0.876 55 D CB 0.855 41.712 40.800 0.094 0.000 1.176 55 D HN 0.540 nan 8.370 nan 0.000 0.446 56 R N 2.001 122.572 120.500 0.119 0.000 2.490 56 R HA 0.503 4.842 4.340 -0.001 0.000 0.278 56 R C -0.525 175.828 176.300 0.089 0.000 1.069 56 R CA -0.556 55.641 56.100 0.161 0.000 1.080 56 R CB 0.782 31.124 30.300 0.069 0.000 1.030 56 R HN 0.485 nan 8.270 nan 0.000 0.491 57 L N 1.839 123.112 121.223 0.083 0.000 2.313 57 L HA 0.489 4.829 4.340 -0.001 0.000 0.283 57 L C -1.196 175.684 176.870 0.017 0.000 1.013 57 L CA -0.393 54.468 54.840 0.035 0.000 0.816 57 L CB 1.233 43.306 42.059 0.024 0.000 1.236 57 L HN 0.631 nan 8.230 nan 0.000 0.419 58 Q N 4.052 123.850 119.800 -0.003 0.000 2.280 58 Q HA 0.503 4.843 4.340 -0.001 0.000 0.259 58 Q C -2.188 173.792 176.000 -0.033 0.000 0.964 58 Q CA -0.611 55.182 55.803 -0.017 0.000 0.844 58 Q CB 2.539 31.255 28.738 -0.036 0.000 1.334 58 Q HN 0.558 nan 8.270 nan 0.000 0.423 59 V N 5.514 125.416 119.914 -0.019 0.000 2.409 59 V HA 0.440 4.560 4.120 -0.001 0.000 0.290 59 V C -0.427 175.670 176.094 0.005 0.000 1.017 59 V CA -0.603 61.682 62.300 -0.024 0.000 0.841 59 V CB 1.409 33.217 31.823 -0.025 0.000 1.003 59 V HN 0.733 nan 8.190 nan 0.000 0.426 60 L N 5.346 126.517 121.223 -0.086 0.000 2.325 60 L HA 0.686 5.026 4.340 -0.001 0.000 0.279 60 L C -0.088 176.788 176.870 0.009 0.000 1.054 60 L CA -0.396 54.344 54.840 -0.168 0.000 0.804 60 L CB 1.479 43.265 42.059 -0.454 0.000 1.200 60 L HN 0.743 nan 8.230 nan 0.000 0.436 61 D N -0.285 120.205 120.400 0.149 0.000 2.727 61 D HA 0.174 4.814 4.640 -0.001 0.000 0.264 61 D C 0.125 176.502 176.300 0.128 0.000 1.101 61 D CA -0.585 53.491 54.000 0.127 0.000 1.122 61 D CB 0.679 41.563 40.800 0.141 0.000 1.390 61 D HN 0.275 nan 8.370 nan 0.000 0.606 62 D N -1.112 119.300 120.400 0.020 0.000 2.144 62 D HA -0.149 4.490 4.640 -0.001 0.000 0.199 62 D C 1.771 178.081 176.300 0.017 0.000 0.984 62 D CA 1.259 55.242 54.000 -0.028 0.000 0.834 62 D CB -0.235 40.482 40.800 -0.139 0.000 0.955 62 D HN 0.395 nan 8.370 nan 0.000 0.465 63 H N -0.809 118.339 119.070 0.129 0.000 2.353 63 H HA -0.150 4.406 4.556 0.001 0.000 0.300 63 H C 2.001 177.384 175.328 0.093 0.000 1.090 63 H CA 1.099 57.217 56.048 0.116 0.000 1.327 63 H CB -0.742 29.117 29.762 0.162 0.000 1.383 63 H HN 0.306 nan 8.280 nan 0.000 0.508 64 Y N 1.908 122.275 120.300 0.112 0.000 2.097 64 Y HA -0.234 4.315 4.550 -0.001 0.000 0.282 64 Y C 2.704 178.562 175.900 -0.070 0.000 1.152 64 Y CA 1.683 59.712 58.100 -0.119 0.000 1.136 64 Y CB -0.086 38.207 38.460 -0.278 0.000 0.975 64 Y HN -0.039 nan 8.280 nan 0.000 0.498 65 R N 0.051 120.648 120.500 0.161 0.000 2.115 65 R HA -0.148 4.192 4.340 -0.001 0.000 0.230 65 R C 1.759 178.051 176.300 -0.015 0.000 1.111 65 R CA 1.404 57.544 56.100 0.066 0.000 0.976 65 R CB -0.297 30.064 30.300 0.102 0.000 0.870 65 R HN 0.449 nan 8.270 nan 0.000 0.445 66 D N 0.108 120.515 120.400 0.011 0.000 2.117 66 D HA -0.113 4.527 4.640 -0.001 0.000 0.198 66 D C 1.987 178.273 176.300 -0.023 0.000 0.982 66 D CA 1.070 55.076 54.000 0.010 0.000 0.828 66 D CB -0.155 40.677 40.800 0.053 0.000 0.967 66 D HN 0.011 nan 8.370 nan 0.000 0.464 67 V N 1.363 121.241 119.914 -0.059 0.000 2.358 67 V HA -0.206 3.914 4.120 -0.001 0.000 0.246 67 V C 2.504 178.523 176.094 -0.124 0.000 1.047 67 V CA 0.980 63.226 62.300 -0.090 0.000 1.035 67 V CB -0.494 31.241 31.823 -0.147 0.000 0.658 67 V HN 0.117 nan 8.190 nan 0.000 0.452 68 L N 0.442 121.529 121.223 -0.227 0.000 2.012 68 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 68 L C 2.401 179.209 176.870 -0.103 0.000 1.073 68 L CA 2.050 56.761 54.840 -0.214 0.000 0.748 68 L CB -0.765 41.130 42.059 -0.273 0.000 0.891 68 L HN 0.220 nan 8.230 nan 0.000 0.431 69 K N -0.483 119.876 120.400 -0.070 0.000 2.063 69 K HA -0.202 4.117 4.320 -0.001 0.000 0.208 69 K C 1.999 178.584 176.600 -0.026 0.000 1.048 69 K CA 1.941 58.206 56.287 -0.036 0.000 0.928 69 K CB -0.227 32.261 32.500 -0.020 0.000 0.713 69 K HN 0.482 nan 8.250 nan 0.000 0.442 70 E N 0.454 120.642 120.200 -0.019 0.000 2.110 70 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 70 E C 2.016 178.615 176.600 -0.001 0.000 0.988 70 E CA 1.323 57.723 56.400 -0.001 0.000 0.804 70 E CB -0.040 29.669 29.700 0.016 0.000 0.745 70 E HN 0.286 nan 8.360 nan 0.000 0.458 71 M N 0.500 120.095 119.600 -0.008 0.000 2.132 71 M HA -0.138 4.342 4.480 -0.001 0.000 0.263 71 M C 2.049 178.323 176.300 -0.043 0.000 1.065 71 M CA 1.285 56.573 55.300 -0.020 0.000 1.122 71 M CB -0.067 32.520 32.600 -0.022 0.000 1.365 71 M HN -0.062 nan 8.290 nan 0.000 0.411 72 K N 0.455 120.829 120.400 -0.045 0.000 2.097 72 K HA -0.060 4.260 4.320 -0.001 0.000 0.206 72 K C 2.124 178.709 176.600 -0.026 0.000 1.049 72 K CA 1.458 57.721 56.287 -0.040 0.000 0.933 72 K CB -0.382 32.095 32.500 -0.038 0.000 0.717 72 K HN 0.302 nan 8.250 nan 0.000 0.442 73 A N 2.253 125.061 122.820 -0.020 0.000 1.940 73 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 73 A C 1.992 179.567 177.584 -0.015 0.000 1.176 73 A CA 1.557 53.586 52.037 -0.013 0.000 0.631 73 A CB -0.270 18.726 19.000 -0.007 0.000 0.814 73 A HN 0.230 nan 8.150 nan 0.000 0.446 74 K N -0.561 119.826 120.400 -0.022 0.000 2.103 74 K HA 0.075 4.395 4.320 -0.001 0.000 0.204 74 K C 2.224 178.803 176.600 -0.036 0.000 1.052 74 K CA 0.867 57.136 56.287 -0.030 0.000 0.945 74 K CB -0.242 32.234 32.500 -0.041 0.000 0.722 74 K HN 0.422 nan 8.250 nan 0.000 0.443 75 A N 1.092 123.889 122.820 -0.038 0.000 2.015 75 A HA -0.104 4.216 4.320 -0.001 0.000 0.219 75 A C 2.027 179.603 177.584 -0.013 0.000 1.163 75 A CA 1.410 53.429 52.037 -0.030 0.000 0.646 75 A CB -0.362 18.620 19.000 -0.029 0.000 0.806 75 A HN 0.130 nan 8.150 nan 0.000 0.448 76 S N -0.219 115.474 115.700 -0.012 0.000 2.500 76 S HA -0.104 4.366 4.470 -0.001 0.000 0.239 76 S C 1.885 176.483 174.600 -0.003 0.000 0.989 76 S CA 1.581 59.779 58.200 -0.004 0.000 0.951 76 S CB -0.472 62.726 63.200 -0.004 0.000 0.759 76 S HN 0.903 nan 8.310 nan 0.000 0.523 77 T N -0.960 113.589 114.554 -0.009 0.000 3.129 77 T HA 0.230 4.579 4.350 -0.001 0.000 0.251 77 T C 0.422 175.116 174.700 -0.009 0.000 1.117 77 T CA -0.156 61.939 62.100 -0.008 0.000 1.034 77 T CB -0.214 68.646 68.868 -0.012 0.000 0.968 77 T HN 0.009 nan 8.240 nan 0.000 0.526 78 V N 1.584 121.493 119.914 -0.008 0.000 2.567 78 V HA 0.481 4.600 4.120 -0.001 0.000 0.289 78 V C -0.033 176.062 176.094 0.002 0.000 1.049 78 V CA -0.977 61.319 62.300 -0.008 0.000 0.969 78 V CB 1.535 33.350 31.823 -0.013 0.000 0.995 78 V HN 0.370 nan 8.190 nan 0.000 0.471 79 K N 3.236 123.637 120.400 0.002 0.000 2.535 79 K HA 0.731 5.050 4.320 -0.001 0.000 0.253 79 K C -0.665 175.940 176.600 0.009 0.000 0.953 79 K CA -0.381 55.911 56.287 0.009 0.000 0.863 79 K CB 1.382 33.888 32.500 0.010 0.000 1.111 79 K HN 0.852 nan 8.250 nan 0.000 0.431 80 A N 4.251 127.080 122.820 0.014 0.000 2.312 80 A HA 0.469 4.789 4.320 -0.001 0.000 0.326 80 A C -0.893 176.707 177.584 0.027 0.000 1.172 80 A CA -0.823 51.223 52.037 0.014 0.000 0.821 80 A CB 0.601 19.605 19.000 0.008 0.000 1.166 80 A HN 0.824 nan 8.150 nan 0.000 0.493 81 K N 1.641 122.060 120.400 0.031 0.000 2.123 81 K HA 0.665 4.985 4.320 -0.001 0.000 0.259 81 K C -0.885 175.742 176.600 0.044 0.000 0.960 81 K CA -0.781 55.527 56.287 0.035 0.000 0.872 81 K CB 1.417 33.935 32.500 0.030 0.000 1.079 81 K HN 0.391 nan 8.250 nan 0.000 0.440 82 L N 2.969 124.214 121.223 0.036 0.000 2.367 82 L HA 0.197 4.536 4.340 -0.001 0.000 0.275 82 L C -0.892 175.966 176.870 -0.020 0.000 1.129 82 L CA -0.365 54.489 54.840 0.024 0.000 0.839 82 L CB 0.417 42.491 42.059 0.024 0.000 1.133 82 L HN 0.614 nan 8.230 nan 0.000 0.453 83 L N 4.051 125.252 121.223 -0.036 0.000 2.395 83 L HA 0.410 4.749 4.340 -0.001 0.000 0.269 83 L C 0.545 177.327 176.870 -0.147 0.000 1.133 83 L CA 0.440 55.242 54.840 -0.063 0.000 0.812 83 L CB 1.331 43.362 42.059 -0.046 0.000 1.125 83 L HN 0.894 nan 8.230 nan 0.000 0.452 84 S N 2.651 118.272 115.700 -0.132 0.000 2.624 84 S HA 0.281 4.751 4.470 -0.001 0.000 0.263 84 S C 1.422 175.910 174.600 -0.186 0.000 1.287 84 S CA -0.551 57.552 58.200 -0.161 0.000 0.990 84 S CB 0.429 63.561 63.200 -0.114 0.000 0.950 84 S HN 0.507 nan 8.310 nan 0.000 0.561 85 I N 0.594 121.044 120.570 -0.200 0.000 2.286 85 I HA -0.147 4.022 4.170 -0.001 0.000 0.248 85 I C 2.939 178.972 176.117 -0.140 0.000 1.115 85 I CA 1.498 62.688 61.300 -0.184 0.000 1.392 85 I CB -0.382 37.515 38.000 -0.171 0.000 1.065 85 I HN 0.813 nan 8.210 nan 0.000 0.418 86 E N 1.411 121.538 120.200 -0.121 0.000 2.051 86 E HA -0.249 4.101 4.350 -0.001 0.000 0.192 86 E C 1.948 178.482 176.600 -0.110 0.000 0.991 86 E CA 1.622 57.961 56.400 -0.103 0.000 0.799 86 E CB 0.005 29.654 29.700 -0.084 0.000 0.748 86 E HN 0.538 nan 8.360 nan 0.000 0.449 87 E N 0.086 120.216 120.200 -0.116 0.000 2.077 87 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 87 E C 2.028 178.518 176.600 -0.183 0.000 0.989 87 E CA 0.999 57.320 56.400 -0.132 0.000 0.800 87 E CB -0.136 29.496 29.700 -0.114 0.000 0.746 87 E HN 0.294 nan 8.360 nan 0.000 0.452 88 A N 0.647 123.361 122.820 -0.176 0.000 1.930 88 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 88 A C 2.362 179.846 177.584 -0.166 0.000 1.175 88 A CA 0.992 52.916 52.037 -0.189 0.000 0.627 88 A CB -0.689 18.223 19.000 -0.147 0.000 0.815 88 A HN 0.348 nan 8.150 nan 0.000 0.443 89 C N -0.767 118.451 119.300 -0.136 0.000 2.440 89 C HA -0.015 4.444 4.460 -0.001 0.000 0.278 89 C C 2.598 177.509 174.990 -0.132 0.000 1.295 89 C CA 1.252 60.201 59.018 -0.116 0.000 1.738 89 C CB -0.932 26.749 27.740 -0.099 0.000 1.987 89 C HN 0.688 nan 8.230 nan 0.000 0.492 90 K N 0.544 120.862 120.400 -0.137 0.000 2.283 90 K HA -0.007 4.313 4.320 -0.001 0.000 0.202 90 K C 1.484 177.997 176.600 -0.145 0.000 1.048 90 K CA 0.901 57.115 56.287 -0.122 0.000 0.948 90 K CB -0.085 32.355 32.500 -0.099 0.000 0.742 90 K HN 0.493 nan 8.250 nan 0.000 0.458 91 L N 0.790 121.876 121.223 -0.228 0.000 2.591 91 L HA 0.032 4.372 4.340 -0.001 0.000 0.228 91 L C 0.265 176.994 176.870 -0.235 0.000 1.133 91 L CA 0.079 54.727 54.840 -0.321 0.000 0.880 91 L CB 0.220 41.963 42.059 -0.527 0.000 1.033 91 L HN -0.016 nan 8.230 nan 0.000 0.450 92 T N 1.714 116.157 114.554 -0.186 0.000 2.794 92 T HA 0.218 4.568 4.350 -0.001 0.000 0.296 92 T C -2.310 172.247 174.700 -0.239 0.000 0.949 92 T CA -1.113 60.886 62.100 -0.169 0.000 1.101 92 T CB 1.081 69.871 68.868 -0.131 0.000 0.905 92 T HN -0.139 nan 8.240 nan 0.000 0.516 93 P HA 0.146 nan 4.420 nan 0.000 0.268 93 P C -1.880 175.197 177.300 -0.372 0.000 1.204 93 P CA -1.343 61.563 63.100 -0.322 0.000 0.768 93 P CB 0.288 31.923 31.700 -0.108 0.000 0.842 94 P HA -0.185 nan 4.420 nan 0.000 0.217 94 P C 0.279 177.292 177.300 -0.479 0.000 1.151 94 P CA 1.740 64.540 63.100 -0.500 0.000 0.849 94 P CB -0.190 31.179 31.700 -0.552 0.000 0.787 95 H N -2.504 116.454 119.070 -0.186 0.000 2.507 95 H HA 0.289 4.844 4.556 -0.001 0.000 0.294 95 H C 0.535 175.791 175.328 -0.121 0.000 1.064 95 H CA -0.307 55.665 56.048 -0.127 0.000 1.138 95 H CB -0.348 29.354 29.762 -0.100 0.000 1.515 95 H HN -0.016 nan 8.280 nan 0.000 0.547 96 S N 1.136 116.797 115.700 -0.065 0.000 2.573 96 S HA 0.358 4.828 4.470 -0.001 0.000 0.277 96 S C 0.775 175.331 174.600 -0.074 0.000 1.346 96 S CA -0.488 57.663 58.200 -0.082 0.000 1.034 96 S CB 0.230 63.374 63.200 -0.093 0.000 0.879 96 S HN 0.541 nan 8.310 nan 0.000 0.528 97 A N 4.469 127.233 122.820 -0.093 0.000 2.566 97 A HA 0.221 4.541 4.320 -0.001 0.000 0.245 97 A C 0.602 178.159 177.584 -0.046 0.000 1.056 97 A CA -0.070 51.934 52.037 -0.054 0.000 0.757 97 A CB -0.309 18.672 19.000 -0.031 0.000 0.979 97 A HN 0.869 nan 8.150 nan 0.000 0.508 98 K N 2.308 122.668 120.400 -0.067 0.000 2.336 98 K HA 0.313 4.633 4.320 -0.001 0.000 0.262 98 K C 0.389 176.875 176.600 -0.190 0.000 0.992 98 K CA 0.123 56.329 56.287 -0.134 0.000 0.927 98 K CB 0.379 32.803 32.500 -0.127 0.000 0.956 98 K HN 0.468 nan 8.250 nan 0.000 0.495 99 S N -0.060 115.404 115.700 -0.393 0.000 2.603 99 S HA 0.052 4.522 4.470 -0.001 0.000 0.268 99 S C 0.698 175.052 174.600 -0.410 0.000 1.317 99 S CA -0.714 57.210 58.200 -0.460 0.000 1.012 99 S CB 0.628 63.242 63.200 -0.977 0.000 0.926 99 S HN 0.789 nan 8.310 nan 0.000 0.539 100 K N 1.675 121.797 120.400 -0.463 0.000 2.458 100 K HA 0.105 4.425 4.320 -0.001 0.000 0.194 100 K C -0.384 175.852 176.600 -0.606 0.000 1.024 100 K CA 0.450 56.424 56.287 -0.523 0.000 1.108 100 K CB -0.188 31.950 32.500 -0.605 0.000 0.846 100 K HN 0.523 nan 8.250 nan 0.000 0.518 101 F N 1.453 121.310 119.950 -0.155 0.000 2.837 101 F HA 0.345 4.872 4.527 -0.001 0.000 0.298 101 F C 1.081 176.830 175.800 -0.085 0.000 1.161 101 F CA -0.429 57.544 58.000 -0.044 0.000 1.353 101 F CB 0.783 39.867 39.000 0.140 0.000 0.951 101 F HN 0.310 nan 8.300 nan 0.000 0.508 102 G N 0.428 109.221 108.800 -0.013 0.000 2.132 102 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.228 102 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.228 102 G C -0.340 174.609 174.900 0.082 0.000 1.000 102 G CA 0.197 45.312 45.100 0.025 0.000 0.693 102 G HN 0.563 nan 8.290 nan 0.000 0.515 103 Y N -2.619 117.629 120.300 -0.087 0.000 2.624 103 Y HA 0.752 5.302 4.550 -0.001 0.000 0.334 103 Y C 0.273 176.139 175.900 -0.058 0.000 1.155 103 Y CA -1.105 56.946 58.100 -0.081 0.000 1.046 103 Y CB 0.606 39.000 38.460 -0.110 0.000 1.316 103 Y HN 0.719 nan 8.280 nan 0.000 0.457 104 G N -0.048 108.783 108.800 0.051 0.000 3.013 104 G HA2 0.551 4.511 3.960 -0.001 0.000 0.278 104 G HA3 0.551 4.511 3.960 -0.001 0.000 0.278 104 G C 0.248 175.164 174.900 0.027 0.000 1.353 104 G CA -0.782 44.297 45.100 -0.036 0.000 1.043 104 G HN 1.224 nan 8.290 nan 0.000 0.523 105 A N -0.392 122.401 122.820 -0.045 0.000 1.940 105 A HA -0.055 4.265 4.320 -0.001 0.000 0.219 105 A C 2.241 179.769 177.584 -0.093 0.000 1.176 105 A CA 2.327 54.322 52.037 -0.071 0.000 0.631 105 A CB -0.411 18.508 19.000 -0.135 0.000 0.814 105 A HN 0.473 nan 8.150 nan 0.000 0.446 106 K N 0.321 120.656 120.400 -0.107 0.000 2.057 106 K HA -0.111 4.209 4.320 -0.001 0.000 0.207 106 K C 1.555 178.115 176.600 -0.066 0.000 1.049 106 K CA 1.679 57.898 56.287 -0.114 0.000 0.931 106 K CB -0.261 32.171 32.500 -0.114 0.000 0.714 106 K HN 0.542 nan 8.250 nan 0.000 0.440 107 D N -0.399 119.991 120.400 -0.017 0.000 2.144 107 D HA -0.124 4.516 4.640 -0.001 0.000 0.200 107 D C 1.885 178.173 176.300 -0.020 0.000 0.978 107 D CA 0.944 54.943 54.000 -0.002 0.000 0.833 107 D CB -0.118 40.717 40.800 0.059 0.000 0.961 107 D HN -0.044 nan 8.370 nan 0.000 0.470 108 V N 1.404 121.327 119.914 0.014 0.000 2.295 108 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 108 V C 2.481 178.537 176.094 -0.064 0.000 1.049 108 V CA 1.601 63.892 62.300 -0.015 0.000 1.024 108 V CB -0.342 31.501 31.823 0.033 0.000 0.648 108 V HN 0.127 nan 8.190 nan 0.000 0.447 109 R N 0.184 120.634 120.500 -0.084 0.000 2.148 109 R HA -0.067 4.273 4.340 -0.001 0.000 0.227 109 R C 1.781 178.030 176.300 -0.086 0.000 1.103 109 R CA 1.202 57.239 56.100 -0.105 0.000 0.983 109 R CB -0.293 29.919 30.300 -0.146 0.000 0.874 109 R HN 0.508 nan 8.270 nan 0.000 0.451 110 N N 0.737 119.392 118.700 -0.074 0.000 2.398 110 N HA 0.062 4.801 4.740 -0.001 0.000 0.188 110 N C 0.214 175.688 175.510 -0.061 0.000 1.122 110 N CA 0.325 53.337 53.050 -0.063 0.000 0.866 110 N CB 0.309 38.763 38.487 -0.055 0.000 0.970 110 N HN 0.119 nan 8.380 nan 0.000 0.462 111 L N 0.892 122.073 121.223 -0.070 0.000 3.717 111 L HA -0.218 4.122 4.340 -0.001 0.000 0.411 111 L C 0.230 177.057 176.870 -0.073 0.000 1.233 111 L CA -0.096 54.699 54.840 -0.075 0.000 0.917 111 L CB -2.588 39.429 42.059 -0.069 0.000 1.902 111 L HN 0.141 nan 8.230 nan 0.000 0.894 112 S N -0.986 114.670 115.700 -0.074 0.000 2.566 112 S HA 0.216 4.685 4.470 -0.001 0.000 0.280 112 S C 1.524 176.076 174.600 -0.080 0.000 1.343 112 S CA -0.023 58.137 58.200 -0.066 0.000 1.036 112 S CB 1.674 64.840 63.200 -0.056 0.000 0.866 112 S HN 0.540 nan 8.310 nan 0.000 0.526 113 S N 2.333 117.999 115.700 -0.057 0.000 2.383 113 S HA -0.238 4.231 4.470 -0.001 0.000 0.229 113 S C 1.888 176.456 174.600 -0.053 0.000 1.030 113 S CA 1.061 59.231 58.200 -0.050 0.000 1.002 113 S CB -0.640 62.543 63.200 -0.029 0.000 0.829 113 S HN 0.854 nan 8.310 nan 0.000 0.467 114 R N 1.487 121.953 120.500 -0.056 0.000 2.066 114 R HA 0.046 4.385 4.340 -0.001 0.000 0.232 114 R C 2.569 178.738 176.300 -0.219 0.000 1.131 114 R CA 1.287 57.360 56.100 -0.045 0.000 0.955 114 R CB -0.874 29.398 30.300 -0.046 0.000 0.851 114 R HN 0.499 nan 8.270 nan 0.000 0.432 115 A N 0.320 122.883 122.820 -0.428 0.000 1.877 115 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 115 A C 2.282 179.594 177.584 -0.453 0.000 1.186 115 A CA 1.752 53.276 52.037 -0.856 0.000 0.620 115 A CB -0.719 17.974 19.000 -0.511 0.000 0.822 115 A HN 0.237 nan 8.150 nan 0.000 0.443 116 V N 1.098 120.874 119.914 -0.230 0.000 2.332 116 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 116 V C 2.330 178.365 176.094 -0.098 0.000 1.055 116 V CA 2.161 64.377 62.300 -0.140 0.000 1.038 116 V CB -0.987 30.773 31.823 -0.104 0.000 0.651 116 V HN 0.561 nan 8.190 nan 0.000 0.450 117 N N -0.338 118.320 118.700 -0.070 0.000 2.120 117 N HA -0.165 4.575 4.740 -0.001 0.000 0.188 117 N C 1.792 177.260 175.510 -0.070 0.000 1.024 117 N CA 1.647 54.666 53.050 -0.052 0.000 0.852 117 N CB -0.411 38.056 38.487 -0.033 0.000 1.003 117 N HN 0.591 nan 8.380 nan 0.000 0.424 118 H N 0.699 119.666 119.070 -0.172 0.000 2.389 118 H HA 0.135 4.691 4.556 -0.001 0.000 0.299 118 H C 2.120 177.415 175.328 -0.055 0.000 1.081 118 H CA 0.722 56.701 56.048 -0.115 0.000 1.345 118 H CB -0.158 29.556 29.762 -0.079 0.000 1.393 118 H HN 0.182 nan 8.280 nan 0.000 0.520 119 I N 0.108 120.697 120.570 0.031 0.000 2.252 119 I HA -0.251 3.918 4.170 -0.001 0.000 0.245 119 I C 2.336 178.500 176.117 0.077 0.000 1.102 119 I CA 1.119 62.457 61.300 0.063 0.000 1.385 119 I CB -0.185 37.816 38.000 0.001 0.000 1.064 119 I HN 0.204 nan 8.210 nan 0.000 0.414 120 R N 0.637 121.152 120.500 0.024 0.000 2.081 120 R HA -0.160 4.180 4.340 -0.001 0.000 0.235 120 R C 2.600 178.958 176.300 0.096 0.000 1.131 120 R CA 1.955 58.087 56.100 0.054 0.000 0.960 120 R CB -0.461 29.837 30.300 -0.003 0.000 0.856 120 R HN 0.477 nan 8.270 nan 0.000 0.436 121 S N 0.212 115.919 115.700 0.011 0.000 2.383 121 S HA -0.072 4.398 4.470 -0.001 0.000 0.227 121 S C 2.148 176.751 174.600 0.004 0.000 1.026 121 S CA 1.109 59.294 58.200 -0.025 0.000 0.981 121 S CB -0.431 62.692 63.200 -0.128 0.000 0.818 121 S HN 0.050 nan 8.310 nan 0.000 0.472 122 V N 1.002 120.942 119.914 0.042 0.000 2.358 122 V HA -0.125 3.994 4.120 -0.001 0.000 0.246 122 V C 2.245 178.399 176.094 0.100 0.000 1.047 122 V CA 1.804 64.139 62.300 0.060 0.000 1.035 122 V CB -1.050 30.841 31.823 0.113 0.000 0.658 122 V HN 0.731 nan 8.190 nan 0.000 0.452 123 W N 1.214 122.502 121.300 -0.020 0.000 2.355 123 W HA -0.242 4.418 4.660 -0.000 0.000 0.309 123 W C 2.432 178.936 176.519 -0.024 0.000 1.206 123 W CA 2.268 59.603 57.345 -0.017 0.000 1.284 123 W CB -0.078 29.373 29.460 -0.016 0.000 1.145 123 W HN 0.345 nan 8.180 nan 0.000 0.502 124 E N 0.972 121.219 120.200 0.079 0.000 2.110 124 E HA -0.269 4.081 4.350 -0.001 0.000 0.193 124 E C 1.636 178.168 176.600 -0.113 0.000 0.988 124 E CA 2.228 58.610 56.400 -0.029 0.000 0.804 124 E CB -0.747 28.974 29.700 0.036 0.000 0.745 124 E HN 0.302 nan 8.360 nan 0.000 0.458 125 D N -0.870 119.478 120.400 -0.087 0.000 2.178 125 D HA -0.115 4.524 4.640 -0.001 0.000 0.201 125 D C 1.869 178.085 176.300 -0.140 0.000 0.980 125 D CA 0.996 54.938 54.000 -0.096 0.000 0.842 125 D CB -0.054 40.703 40.800 -0.072 0.000 0.948 125 D HN 0.257 nan 8.370 nan 0.000 0.472 126 L N -0.101 120.999 121.223 -0.205 0.000 2.141 126 L HA -0.098 4.242 4.340 -0.001 0.000 0.209 126 L C 2.314 179.001 176.870 -0.305 0.000 1.094 126 L CA 0.567 55.247 54.840 -0.267 0.000 0.763 126 L CB -0.273 41.559 42.059 -0.378 0.000 0.908 126 L HN 0.227 nan 8.230 nan 0.000 0.437 127 L N -0.897 120.111 121.223 -0.358 0.000 2.217 127 L HA -0.128 4.211 4.340 -0.001 0.000 0.211 127 L C 2.180 178.953 176.870 -0.161 0.000 1.107 127 L CA 1.008 55.677 54.840 -0.284 0.000 0.783 127 L CB -0.261 41.630 42.059 -0.280 0.000 0.919 127 L HN 0.284 nan 8.230 nan 0.000 0.442 128 E N -1.022 119.098 120.200 -0.134 0.000 2.166 128 E HA -0.048 4.301 4.350 -0.001 0.000 0.192 128 E C 0.384 176.938 176.600 -0.077 0.000 0.967 128 E CA 0.147 56.494 56.400 -0.088 0.000 0.840 128 E CB 0.397 30.055 29.700 -0.071 0.000 0.795 128 E HN 0.139 nan 8.360 nan 0.000 0.470 129 D N 0.634 120.983 120.400 -0.084 0.000 2.373 129 D HA 0.028 4.667 4.640 -0.001 0.000 0.227 129 D C 0.323 176.579 176.300 -0.074 0.000 1.091 129 D CA -0.030 53.929 54.000 -0.068 0.000 0.840 129 D CB 1.376 42.140 40.800 -0.060 0.000 1.060 129 D HN 0.028 nan 8.370 nan 0.000 0.502 130 T N 0.231 114.748 114.554 -0.061 0.000 3.086 130 T HA 0.212 4.561 4.350 -0.001 0.000 0.250 130 T C 0.897 175.571 174.700 -0.044 0.000 1.074 130 T CA 0.202 62.268 62.100 -0.058 0.000 0.988 130 T CB 0.297 69.137 68.868 -0.047 0.000 0.988 130 T HN 0.390 nan 8.240 nan 0.000 0.530 131 E N 0.607 120.784 120.200 -0.037 0.000 2.441 131 E HA 0.122 4.472 4.350 -0.001 0.000 0.207 131 E C -0.201 176.389 176.600 -0.016 0.000 0.803 131 E CA -0.033 56.352 56.400 -0.024 0.000 1.240 131 E CB 0.525 30.214 29.700 -0.018 0.000 1.233 131 E HN 0.286 nan 8.360 nan 0.000 0.590 132 T N 4.910 119.453 114.554 -0.019 0.000 2.792 132 T HA 0.051 4.400 4.350 -0.001 0.000 0.286 132 T C -2.521 172.175 174.700 -0.006 0.000 0.970 132 T CA -0.706 61.390 62.100 -0.008 0.000 1.187 132 T CB 0.307 69.168 68.868 -0.011 0.000 0.915 132 T HN -0.093 nan 8.240 nan 0.000 0.529 133 P HA 0.143 nan 4.420 nan 0.000 0.263 133 P C -0.070 177.225 177.300 -0.009 0.000 1.195 133 P CA -0.053 63.056 63.100 0.014 0.000 0.762 133 P CB 0.278 32.028 31.700 0.083 0.000 0.799 134 I N 2.600 123.147 120.570 -0.039 0.000 2.519 134 I HA 0.110 4.280 4.170 -0.001 0.000 0.287 134 I C 1.051 177.143 176.117 -0.042 0.000 1.047 134 I CA -0.251 61.030 61.300 -0.032 0.000 1.381 134 I CB 0.601 38.572 38.000 -0.047 0.000 1.417 134 I HN 0.333 nan 8.210 nan 0.000 0.540 135 D N 3.988 124.377 120.400 -0.019 0.000 2.382 135 D HA 0.265 4.905 4.640 -0.001 0.000 0.240 135 D C -0.421 175.832 176.300 -0.078 0.000 1.146 135 D CA 0.201 54.175 54.000 -0.043 0.000 0.897 135 D CB 0.833 41.623 40.800 -0.017 0.000 1.197 135 D HN 0.634 nan 8.370 nan 0.000 0.432 136 T N -1.123 113.357 114.554 -0.123 0.000 2.900 136 T HA 0.563 4.912 4.350 -0.001 0.000 0.303 136 T C -0.539 174.005 174.700 -0.259 0.000 1.142 136 T CA -0.976 61.012 62.100 -0.187 0.000 1.007 136 T CB 1.473 70.258 68.868 -0.138 0.000 1.156 136 T HN 0.217 nan 8.240 nan 0.000 0.490 137 T N 2.460 116.716 114.554 -0.496 0.000 2.867 137 T HA 0.628 4.977 4.350 -0.001 0.000 0.282 137 T C -0.421 174.044 174.700 -0.391 0.000 1.000 137 T CA -0.655 61.143 62.100 -0.503 0.000 1.042 137 T CB 0.835 69.232 68.868 -0.785 0.000 0.973 137 T HN 0.753 nan 8.240 nan 0.000 0.465 138 I N 3.819 124.305 120.570 -0.139 0.000 2.406 138 I HA 0.533 4.703 4.170 -0.001 0.000 0.290 138 I C -1.140 175.012 176.117 0.058 0.000 0.999 138 I CA -0.856 60.448 61.300 0.007 0.000 1.124 138 I CB 0.828 38.875 38.000 0.078 0.000 1.289 138 I HN 0.411 nan 8.210 nan 0.000 0.441 139 M N 6.073 125.753 119.600 0.132 0.000 2.619 139 M HA 0.523 5.002 4.480 -0.001 0.000 0.297 139 M C -0.544 175.820 176.300 0.107 0.000 1.229 139 M CA -0.648 54.732 55.300 0.133 0.000 0.860 139 M CB 1.841 34.569 32.600 0.214 0.000 1.741 139 M HN 0.599 nan 8.290 nan 0.000 0.462 140 A N 1.871 124.736 122.820 0.074 0.000 2.320 140 A HA 0.433 4.752 4.320 -0.001 0.000 0.287 140 A C -0.035 177.589 177.584 0.067 0.000 1.181 140 A CA -0.431 51.640 52.037 0.058 0.000 0.831 140 A CB 0.266 19.288 19.000 0.036 0.000 1.102 140 A HN 0.774 nan 8.150 nan 0.000 0.513 141 K N 1.682 122.124 120.400 0.069 0.000 2.270 141 K HA 0.274 4.594 4.320 -0.001 0.000 0.276 141 K C -0.028 176.589 176.600 0.029 0.000 1.023 141 K CA 0.025 56.344 56.287 0.053 0.000 0.955 141 K CB 0.556 33.093 32.500 0.062 0.000 0.975 141 K HN 0.593 nan 8.250 nan 0.000 0.471 142 S N 3.470 119.165 115.700 -0.008 0.000 2.423 142 S HA 0.204 4.674 4.470 -0.001 0.000 0.317 142 S C -1.212 173.293 174.600 -0.158 0.000 1.065 142 S CA -0.609 57.556 58.200 -0.059 0.000 1.111 142 S CB 0.275 63.451 63.200 -0.040 0.000 0.968 142 S HN 0.591 nan 8.310 nan 0.000 0.474 143 E N 2.658 122.728 120.200 -0.215 0.000 2.317 143 E HA 0.469 4.819 4.350 -0.001 0.000 0.270 143 E C -1.208 174.971 176.600 -0.701 0.000 0.885 143 E CA -0.978 55.167 56.400 -0.424 0.000 0.760 143 E CB 2.188 31.681 29.700 -0.346 0.000 1.227 143 E HN 0.384 nan 8.360 nan 0.000 0.434 144 V N 3.284 122.645 119.914 -0.921 0.000 2.481 144 V HA 0.482 4.601 4.120 -0.001 0.000 0.286 144 V C -0.725 174.711 176.094 -1.096 0.000 1.042 144 V CA -0.124 61.608 62.300 -0.946 0.000 0.928 144 V CB 0.201 31.545 31.823 -0.798 0.000 0.986 144 V HN 0.515 nan 8.190 nan 0.000 0.462 145 F N 2.034 121.609 119.950 -0.625 0.000 2.692 145 F HA 0.600 5.127 4.527 -0.001 0.000 0.320 145 F C -0.025 175.592 175.800 -0.305 0.000 1.123 145 F CA -0.784 56.949 58.000 -0.446 0.000 0.961 145 F CB 1.318 40.049 39.000 -0.449 0.000 1.383 145 F HN 0.539 nan 8.300 nan 0.000 0.483 146 C N 2.804 122.219 119.300 0.191 0.000 2.355 146 C HA 0.806 5.265 4.460 -0.001 0.000 0.332 146 C C -0.007 175.193 174.990 0.349 0.000 1.255 146 C CA -0.723 58.431 59.018 0.226 0.000 1.792 146 C CB -0.102 27.719 27.740 0.136 0.000 2.300 146 C HN 0.727 nan 8.230 nan 0.000 0.515 147 V N 5.360 125.490 119.914 0.360 0.000 2.928 147 V HA 0.206 4.326 4.120 -0.001 0.000 0.307 147 V C 0.024 176.190 176.094 0.121 0.000 1.105 147 V CA 0.255 62.688 62.300 0.222 0.000 1.223 147 V CB -0.045 31.827 31.823 0.082 0.000 0.930 147 V HN 0.942 nan 8.190 nan 0.000 0.499 148 Q N 2.927 122.763 119.800 0.060 0.000 2.214 148 Q HA 0.573 4.913 4.340 -0.001 0.000 0.251 148 Q C -1.971 174.031 176.000 0.003 0.000 0.936 148 Q CA -1.534 54.283 55.803 0.024 0.000 0.894 148 Q CB 0.364 29.101 28.738 -0.001 0.000 1.252 148 Q HN 0.765 nan 8.270 nan 0.000 0.448 155 K N 2.494 122.920 120.400 0.044 0.000 2.205 155 K HA 0.333 4.652 4.320 -0.001 0.000 0.279 155 K C -2.115 174.524 176.600 0.065 0.000 1.027 155 K CA -1.517 54.755 56.287 -0.025 0.000 0.932 155 K CB 0.874 33.215 32.500 -0.264 0.000 1.032 155 K HN 0.274 nan 8.250 nan 0.000 0.466 156 P HA 0.112 nan 4.420 nan 0.000 0.282 156 P C -0.890 176.456 177.300 0.077 0.000 1.249 156 P CA -0.546 62.584 63.100 0.049 0.000 0.806 156 P CB 1.070 32.779 31.700 0.015 0.000 0.984 157 A N 3.863 126.735 122.820 0.087 0.000 2.561 157 A HA 0.044 4.363 4.320 -0.001 0.000 0.234 157 A C 0.697 178.331 177.584 0.084 0.000 1.055 157 A CA 0.098 52.194 52.037 0.097 0.000 0.756 157 A CB -0.342 18.702 19.000 0.073 0.000 0.986 157 A HN 0.494 nan 8.150 nan 0.000 0.505 158 R N 0.349 120.914 120.500 0.108 0.000 2.615 158 R HA 0.362 4.701 4.340 -0.001 0.000 0.270 158 R C -1.054 175.305 176.300 0.097 0.000 1.081 158 R CA -0.600 55.566 56.100 0.110 0.000 1.154 158 R CB 0.345 30.724 30.300 0.133 0.000 1.063 158 R HN 0.504 nan 8.270 nan 0.000 0.519 159 L N 3.857 125.144 121.223 0.106 0.000 2.272 159 L HA 0.428 4.768 4.340 -0.001 0.000 0.289 159 L C -0.018 176.943 176.870 0.153 0.000 1.032 159 L CA -0.169 54.735 54.840 0.107 0.000 0.810 159 L CB 1.167 43.272 42.059 0.075 0.000 1.205 159 L HN 0.485 nan 8.230 nan 0.000 0.422 160 I N 1.416 122.088 120.570 0.170 0.000 2.412 160 I HA 0.793 4.962 4.170 -0.001 0.000 0.296 160 I C -0.713 175.573 176.117 0.282 0.000 0.987 160 I CA -0.810 60.624 61.300 0.225 0.000 1.180 160 I CB 1.856 39.986 38.000 0.217 0.000 1.340 160 I HN 0.153 nan 8.210 nan 0.000 0.455 161 V N 6.958 127.045 119.914 0.288 0.000 2.531 161 V HA 0.618 4.738 4.120 -0.001 0.000 0.301 161 V C -0.613 175.660 176.094 0.299 0.000 1.034 161 V CA -0.386 62.039 62.300 0.209 0.000 0.865 161 V CB 1.274 33.191 31.823 0.157 0.000 0.995 161 V HN 0.752 nan 8.190 nan 0.000 0.424 162 F N 4.713 124.703 119.950 0.066 0.000 2.631 162 F HA 0.962 5.489 4.527 -0.001 0.000 0.308 162 F C -3.120 172.707 175.800 0.046 0.000 1.097 162 F CA -2.604 55.434 58.000 0.063 0.000 0.952 162 F CB 1.722 40.755 39.000 0.055 0.000 1.307 162 F HN 0.309 nan 8.300 nan 0.000 0.450 163 P HA 0.222 nan 4.420 nan 0.000 0.287 163 P C -1.162 176.224 177.300 0.143 0.000 1.296 163 P CA -0.200 62.937 63.100 0.061 0.000 0.811 163 P CB 1.413 33.163 31.700 0.082 0.000 1.211 164 D N -0.837 119.622 120.400 0.098 0.000 2.400 164 D HA -0.054 4.586 4.640 -0.001 0.000 0.238 164 D C 1.374 177.767 176.300 0.154 0.000 1.157 164 D CA -0.272 53.799 54.000 0.119 0.000 0.889 164 D CB 0.285 41.173 40.800 0.147 0.000 1.199 164 D HN 0.107 nan 8.370 nan 0.000 0.436 165 L N 3.275 124.564 121.223 0.110 0.000 2.051 165 L HA -0.035 4.305 4.340 -0.001 0.000 0.214 165 L C 2.030 179.012 176.870 0.187 0.000 1.076 165 L CA 2.612 57.515 54.840 0.105 0.000 0.758 165 L CB -1.077 40.983 42.059 0.002 0.000 0.890 165 L HN 0.658 nan 8.230 nan 0.000 0.433 166 G N -1.313 107.650 108.800 0.271 0.000 2.418 166 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.217 166 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.217 166 G C 1.518 176.548 174.900 0.217 0.000 1.158 166 G CA 1.029 46.321 45.100 0.320 0.000 0.771 166 G HN 0.361 nan 8.290 nan 0.000 0.545 167 V N 0.748 120.777 119.914 0.191 0.000 2.427 167 V HA -0.140 3.979 4.120 -0.001 0.000 0.248 167 V C 2.907 179.092 176.094 0.152 0.000 1.051 167 V CA 1.778 64.169 62.300 0.152 0.000 1.048 167 V CB -0.432 31.462 31.823 0.118 0.000 0.666 167 V HN 0.333 nan 8.190 nan 0.000 0.456 168 R N -0.291 120.299 120.500 0.150 0.000 2.096 168 R HA -0.105 4.234 4.340 -0.001 0.000 0.235 168 R C 2.213 178.579 176.300 0.110 0.000 1.127 168 R CA 1.333 57.513 56.100 0.133 0.000 0.968 168 R CB -0.575 29.793 30.300 0.114 0.000 0.861 168 R HN 0.421 nan 8.270 nan 0.000 0.440 169 V N 0.393 120.372 119.914 0.107 0.000 2.427 169 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 169 V C 2.455 178.601 176.094 0.086 0.000 1.051 169 V CA 1.470 63.809 62.300 0.066 0.000 1.048 169 V CB -0.398 31.461 31.823 0.060 0.000 0.666 169 V HN 0.437 nan 8.190 nan 0.000 0.456 170 C N -0.180 119.220 119.300 0.166 0.000 2.440 170 C HA -0.115 4.345 4.460 -0.001 0.000 0.278 170 C C 2.647 177.817 174.990 0.299 0.000 1.295 170 C CA 0.699 59.893 59.018 0.294 0.000 1.738 170 C CB -0.934 27.052 27.740 0.411 0.000 1.987 170 C HN 0.617 nan 8.230 nan 0.000 0.492 171 E N 0.975 121.307 120.200 0.219 0.000 2.058 171 E HA -0.232 4.117 4.350 -0.001 0.000 0.194 171 E C 2.160 178.878 176.600 0.196 0.000 0.997 171 E CA 1.253 57.786 56.400 0.222 0.000 0.801 171 E CB -0.153 29.680 29.700 0.222 0.000 0.746 171 E HN 0.631 nan 8.360 nan 0.000 0.450 172 K N 0.340 120.825 120.400 0.141 0.000 2.032 172 K HA -0.159 4.160 4.320 -0.001 0.000 0.209 172 K C 2.249 178.909 176.600 0.101 0.000 1.048 172 K CA 1.555 57.908 56.287 0.110 0.000 0.927 172 K CB -0.180 32.307 32.500 -0.021 0.000 0.712 172 K HN 0.137 nan 8.250 nan 0.000 0.441 173 M N 0.247 119.872 119.600 0.042 0.000 2.080 173 M HA -0.204 4.276 4.480 -0.001 0.000 0.260 173 M C 2.464 178.812 176.300 0.079 0.000 1.068 173 M CA 1.895 57.164 55.300 -0.051 0.000 1.109 173 M CB -0.407 31.993 32.600 -0.332 0.000 1.342 173 M HN 0.254 nan 8.290 nan 0.000 0.405 174 A N -0.653 122.328 122.820 0.268 0.000 1.970 174 A HA 0.044 4.364 4.320 -0.001 0.000 0.216 174 A C 1.813 179.494 177.584 0.162 0.000 1.170 174 A CA 1.118 53.346 52.037 0.317 0.000 0.645 174 A CB -0.194 19.048 19.000 0.403 0.000 0.816 174 A HN 0.504 nan 8.150 nan 0.000 0.447 175 L N -2.975 118.328 121.223 0.133 0.000 3.086 175 L HA 0.198 4.538 4.340 -0.001 0.000 0.274 175 L C 1.768 178.663 176.870 0.042 0.000 1.184 175 L CA -0.046 54.813 54.840 0.032 0.000 1.002 175 L CB 0.069 42.113 42.059 -0.026 0.000 1.383 175 L HN 0.424 nan 8.230 nan 0.000 0.582 176 Y N 1.626 121.931 120.300 0.009 0.000 2.097 176 Y HA -0.353 4.197 4.550 -0.000 0.000 0.282 176 Y C 2.243 178.165 175.900 0.036 0.000 1.152 176 Y CA 2.357 60.471 58.100 0.024 0.000 1.136 176 Y CB 0.034 38.492 38.460 -0.004 0.000 0.975 176 Y HN 0.257 nan 8.280 nan 0.000 0.498 177 D N -0.757 119.659 120.400 0.027 0.000 2.144 177 D HA -0.166 4.474 4.640 -0.001 0.000 0.199 177 D C 2.158 178.389 176.300 -0.115 0.000 0.984 177 D CA 1.431 55.401 54.000 -0.050 0.000 0.834 177 D CB -0.209 40.616 40.800 0.042 0.000 0.955 177 D HN 0.265 nan 8.370 nan 0.000 0.465 178 V N 0.390 120.239 119.914 -0.108 0.000 2.261 178 V HA -0.218 3.902 4.120 -0.001 0.000 0.246 178 V C 2.658 178.638 176.094 -0.190 0.000 1.047 178 V CA 1.793 64.007 62.300 -0.144 0.000 1.015 178 V CB -0.681 31.017 31.823 -0.208 0.000 0.642 178 V HN 0.349 nan 8.190 nan 0.000 0.446 179 V N -2.275 117.504 119.914 -0.226 0.000 3.078 179 V HA -0.050 4.070 4.120 -0.001 0.000 0.265 179 V C 1.819 177.769 176.094 -0.239 0.000 1.122 179 V CA 1.931 64.104 62.300 -0.212 0.000 1.141 179 V CB -0.373 31.355 31.823 -0.160 0.000 0.735 179 V HN 0.460 nan 8.190 nan 0.000 0.498 180 S N -0.188 115.356 115.700 -0.261 0.000 2.517 180 S HA 0.106 4.576 4.470 -0.001 0.000 0.214 180 S C 1.676 176.182 174.600 -0.156 0.000 0.991 180 S CA 0.894 58.961 58.200 -0.222 0.000 0.906 180 S CB 0.388 63.401 63.200 -0.312 0.000 0.789 180 S HN 0.750 nan 8.310 nan 0.000 0.513 181 T N 1.316 115.772 114.554 -0.163 0.000 3.028 181 T HA 0.286 4.635 4.350 -0.001 0.000 0.250 181 T C 1.585 176.189 174.700 -0.159 0.000 0.979 181 T CA -0.216 61.807 62.100 -0.128 0.000 1.004 181 T CB -0.129 68.689 68.868 -0.082 0.000 1.120 181 T HN 0.157 nan 8.240 nan 0.000 0.482 182 L N 2.035 123.164 121.223 -0.156 0.000 2.046 182 L HA 0.000 4.340 4.340 -0.001 0.000 0.208 182 L C -1.047 175.674 176.870 -0.248 0.000 1.077 182 L CA 1.600 56.356 54.840 -0.141 0.000 0.747 182 L CB -0.772 41.263 42.059 -0.040 0.000 0.896 182 L HN 0.120 nan 8.230 nan 0.000 0.432 183 P HA -0.251 nan 4.420 nan 0.000 0.215 183 P C 1.261 178.158 177.300 -0.671 0.000 1.157 183 P CA 1.526 64.211 63.100 -0.692 0.000 0.874 183 P CB -0.011 30.907 31.700 -1.303 0.000 0.790 184 Q N 0.145 119.593 119.800 -0.587 0.000 2.050 184 Q HA -0.154 4.186 4.340 -0.001 0.000 0.202 184 Q C 2.035 177.917 176.000 -0.198 0.000 0.980 184 Q CA 2.315 57.947 55.803 -0.284 0.000 0.840 184 Q CB -1.367 27.285 28.738 -0.143 0.000 0.898 184 Q HN 0.113 nan 8.270 nan 0.000 0.424 185 A N -0.602 122.111 122.820 -0.179 0.000 1.933 185 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 185 A C 2.222 179.727 177.584 -0.133 0.000 1.175 185 A CA 1.612 53.575 52.037 -0.123 0.000 0.628 185 A CB -0.551 18.392 19.000 -0.095 0.000 0.814 185 A HN 0.290 nan 8.150 nan 0.000 0.444 186 V N -0.777 119.024 119.914 -0.188 0.000 2.379 186 V HA -0.126 3.994 4.120 -0.001 0.000 0.243 186 V C 2.395 178.325 176.094 -0.273 0.000 1.035 186 V CA 1.967 64.147 62.300 -0.199 0.000 1.035 186 V CB -0.487 31.205 31.823 -0.218 0.000 0.673 186 V HN 0.554 nan 8.190 nan 0.000 0.457 187 M N -0.831 118.539 119.600 -0.384 0.000 2.465 187 M HA 0.339 4.819 4.480 -0.001 0.000 0.249 187 M C 1.470 177.644 176.300 -0.211 0.000 1.130 187 M CA 0.792 55.791 55.300 -0.501 0.000 1.067 187 M CB 0.159 32.339 32.600 -0.700 0.000 1.394 187 M HN 0.488 nan 8.290 nan 0.000 0.483 188 G N 1.612 110.326 108.800 -0.143 0.000 2.596 188 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.295 188 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.295 188 G C 0.819 175.681 174.900 -0.063 0.000 1.240 188 G CA 0.850 45.909 45.100 -0.069 0.000 0.985 188 G HN 0.532 nan 8.290 nan 0.000 0.555 189 S N -0.731 114.958 115.700 -0.019 0.000 2.465 189 S HA -0.014 4.456 4.470 -0.001 0.000 0.241 189 S C 2.215 176.712 174.600 -0.171 0.000 1.000 189 S CA 2.187 60.349 58.200 -0.063 0.000 0.964 189 S CB -0.217 63.041 63.200 0.096 0.000 0.763 189 S HN 1.068 nan 8.310 nan 0.000 0.512 190 S N 0.077 115.761 115.700 -0.026 0.000 2.489 190 S HA 0.129 4.599 4.470 -0.001 0.000 0.228 190 S C 0.261 174.851 174.600 -0.016 0.000 0.995 190 S CA -0.115 58.108 58.200 0.039 0.000 0.934 190 S CB -0.399 62.936 63.200 0.225 0.000 0.771 190 S HN 0.704 nan 8.310 nan 0.000 0.522 191 Y N 3.081 123.235 120.300 -0.243 0.000 2.637 191 Y HA 0.414 4.964 4.550 -0.000 0.000 0.350 191 Y C 1.286 176.970 175.900 -0.361 0.000 1.069 191 Y CA -1.381 56.553 58.100 -0.275 0.000 1.397 191 Y CB -0.066 38.236 38.460 -0.264 0.000 1.163 191 Y HN 0.066 nan 8.280 nan 0.000 0.527 192 G N 4.623 113.018 108.800 -0.675 0.000 2.432 192 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.219 192 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.219 192 G C 1.090 175.453 174.900 -0.895 0.000 1.135 192 G CA 0.292 44.976 45.100 -0.693 0.000 0.767 192 G HN 0.649 nan 8.290 nan 0.000 0.550 193 F N 1.373 120.623 119.950 -1.168 0.000 2.722 193 F HA 0.032 4.559 4.527 -0.001 0.000 0.298 193 F C 2.790 178.341 175.800 -0.415 0.000 1.175 193 F CA 0.938 58.398 58.000 -0.900 0.000 1.462 193 F CB -0.101 38.333 39.000 -0.943 0.000 1.111 193 F HN 0.394 nan 8.300 nan 0.000 0.592 194 Q N -0.888 118.639 119.800 -0.454 0.000 2.424 194 Q HA -0.041 4.298 4.340 -0.001 0.000 0.204 194 Q C -0.529 175.325 176.000 -0.244 0.000 0.933 194 Q CA 0.573 56.208 55.803 -0.279 0.000 0.929 194 Q CB -0.239 28.238 28.738 -0.435 0.000 1.037 194 Q HN 0.287 nan 8.270 nan 0.000 0.511 195 Y N 1.869 122.155 120.300 -0.024 0.000 2.334 195 Y HA 0.334 4.883 4.550 -0.001 0.000 0.328 195 Y C 0.648 176.422 175.900 -0.209 0.000 1.130 195 Y CA -1.186 56.859 58.100 -0.093 0.000 1.163 195 Y CB 1.445 39.808 38.460 -0.162 0.000 1.207 195 Y HN 0.095 nan 8.280 nan 0.000 0.471 196 S N 1.987 117.495 115.700 -0.320 0.000 2.681 196 S HA 0.332 4.801 4.470 -0.001 0.000 0.270 196 S C -2.083 172.157 174.600 -0.600 0.000 1.209 196 S CA -1.228 56.287 58.200 -1.142 0.000 0.988 196 S CB 1.419 64.059 63.200 -0.933 0.000 1.006 196 S HN 0.399 nan 8.310 nan 0.000 0.558 197 P HA -0.102 nan 4.420 nan 0.000 0.216 197 P C 1.376 178.552 177.300 -0.206 0.000 1.150 197 P CA 1.266 64.177 63.100 -0.314 0.000 0.837 197 P CB 0.069 31.621 31.700 -0.246 0.000 0.786 198 K N -0.059 120.177 120.400 -0.273 0.000 2.025 198 K HA -0.173 4.146 4.320 -0.001 0.000 0.207 198 K C 2.118 178.646 176.600 -0.120 0.000 1.049 198 K CA 1.386 57.589 56.287 -0.140 0.000 0.933 198 K CB -0.231 32.173 32.500 -0.159 0.000 0.714 198 K HN 0.108 nan 8.250 nan 0.000 0.438 199 Q N -0.068 119.647 119.800 -0.142 0.000 2.167 199 Q HA -0.151 4.189 4.340 -0.001 0.000 0.202 199 Q C 2.193 178.042 176.000 -0.252 0.000 0.970 199 Q CA 1.228 56.968 55.803 -0.106 0.000 0.855 199 Q CB -0.102 28.662 28.738 0.043 0.000 0.911 199 Q HN 0.268 nan 8.270 nan 0.000 0.438 200 R N 0.573 120.943 120.500 -0.218 0.000 2.075 200 R HA -0.115 4.225 4.340 -0.001 0.000 0.232 200 R C 2.069 178.269 176.300 -0.168 0.000 1.126 200 R CA 1.121 57.066 56.100 -0.259 0.000 0.963 200 R CB -0.041 30.196 30.300 -0.105 0.000 0.858 200 R HN 0.102 nan 8.270 nan 0.000 0.435 201 V N 1.504 121.346 119.914 -0.120 0.000 2.295 201 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 201 V C 2.392 178.408 176.094 -0.130 0.000 1.049 201 V CA 2.250 64.489 62.300 -0.102 0.000 1.024 201 V CB -0.658 31.146 31.823 -0.032 0.000 0.648 201 V HN 0.509 nan 8.190 nan 0.000 0.447 202 E N -0.097 120.040 120.200 -0.105 0.000 2.058 202 E HA -0.295 4.055 4.350 -0.001 0.000 0.194 202 E C 2.142 178.668 176.600 -0.124 0.000 0.997 202 E CA 1.853 58.196 56.400 -0.096 0.000 0.801 202 E CB -0.290 29.376 29.700 -0.057 0.000 0.746 202 E HN 0.515 nan 8.360 nan 0.000 0.450 203 F N 1.336 121.092 119.950 -0.323 0.000 2.095 203 F HA -0.169 4.357 4.527 -0.001 0.000 0.298 203 F C 2.008 177.670 175.800 -0.230 0.000 1.104 203 F CA 1.531 59.327 58.000 -0.340 0.000 1.232 203 F CB -0.320 38.289 39.000 -0.652 0.000 0.987 203 F HN 0.022 nan 8.300 nan 0.000 0.475 204 L N -0.748 120.337 121.223 -0.230 0.000 2.012 204 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 204 L C 2.375 179.084 176.870 -0.268 0.000 1.073 204 L CA 1.224 55.909 54.840 -0.259 0.000 0.748 204 L CB -0.901 41.053 42.059 -0.174 0.000 0.891 204 L HN 0.032 nan 8.230 nan 0.000 0.431 205 V N -0.012 119.723 119.914 -0.299 0.000 2.295 205 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 205 V C 2.223 178.192 176.094 -0.208 0.000 1.049 205 V CA 1.842 63.938 62.300 -0.340 0.000 1.024 205 V CB -0.680 30.813 31.823 -0.550 0.000 0.648 205 V HN 0.483 nan 8.190 nan 0.000 0.447 206 N N 0.106 118.674 118.700 -0.221 0.000 2.120 206 N HA -0.139 4.601 4.740 -0.001 0.000 0.188 206 N C 1.912 177.299 175.510 -0.206 0.000 1.024 206 N CA 1.949 54.893 53.050 -0.177 0.000 0.852 206 N CB -0.653 37.739 38.487 -0.159 0.000 1.003 206 N HN 0.450 nan 8.380 nan 0.000 0.424 207 T N 0.551 114.899 114.554 -0.343 0.000 2.746 207 T HA -0.141 4.209 4.350 -0.001 0.000 0.267 207 T C 1.482 176.086 174.700 -0.159 0.000 1.039 207 T CA 0.649 62.542 62.100 -0.344 0.000 1.142 207 T CB -0.179 68.345 68.868 -0.573 0.000 0.866 207 T HN 0.431 nan 8.240 nan 0.000 0.444 208 W N 2.121 123.252 121.300 -0.282 0.000 2.358 208 W HA -0.051 4.609 4.660 -0.000 0.000 0.303 208 W C 1.812 178.238 176.519 -0.156 0.000 1.208 208 W CA 1.074 58.296 57.345 -0.205 0.000 1.274 208 W CB -0.155 29.176 29.460 -0.214 0.000 1.138 208 W HN 0.239 nan 8.180 nan 0.000 0.515 209 K N 0.284 120.696 120.400 0.021 0.000 2.365 209 K HA -0.117 4.202 4.320 -0.001 0.000 0.199 209 K C 2.143 178.687 176.600 -0.094 0.000 1.045 209 K CA 1.494 57.763 56.287 -0.030 0.000 0.962 209 K CB -0.168 32.328 32.500 -0.007 0.000 0.759 209 K HN 0.051 nan 8.250 nan 0.000 0.469 210 S N 0.400 116.027 115.700 -0.121 0.000 2.489 210 S HA 0.017 4.487 4.470 -0.001 0.000 0.228 210 S C 0.624 175.142 174.600 -0.137 0.000 0.995 210 S CA 0.242 58.373 58.200 -0.116 0.000 0.934 210 S CB 0.076 63.206 63.200 -0.116 0.000 0.771 210 S HN -0.040 nan 8.310 nan 0.000 0.522 211 K N 1.796 122.074 120.400 -0.203 0.000 2.154 211 K HA 0.341 4.660 4.320 -0.001 0.000 0.264 211 K C 0.664 177.150 176.600 -0.191 0.000 1.008 211 K CA -0.292 55.863 56.287 -0.219 0.000 0.937 211 K CB 0.808 33.107 32.500 -0.334 0.000 1.002 211 K HN 0.188 nan 8.250 nan 0.000 0.469 212 K N 0.071 120.384 120.400 -0.145 0.000 2.103 212 K HA -0.046 4.274 4.320 -0.001 0.000 0.204 212 K C 0.663 177.189 176.600 -0.124 0.000 1.052 212 K CA 0.894 57.115 56.287 -0.110 0.000 0.945 212 K CB 0.131 32.584 32.500 -0.078 0.000 0.722 212 K HN 0.474 nan 8.250 nan 0.000 0.443 213 C N 2.399 121.607 119.300 -0.153 0.000 3.296 213 C HA 0.302 4.762 4.460 -0.001 0.000 0.317 213 C C -2.753 172.108 174.990 -0.215 0.000 1.040 213 C CA -2.171 56.760 59.018 -0.145 0.000 1.352 213 C CB 0.432 28.127 27.740 -0.074 0.000 1.797 213 C HN 0.185 nan 8.230 nan 0.000 0.552 214 P HA 0.232 nan 4.420 nan 0.000 0.271 214 P C -0.722 176.266 177.300 -0.521 0.000 1.218 214 P CA 0.327 62.978 63.100 -0.748 0.000 0.780 214 P CB 1.033 31.691 31.700 -1.736 0.000 0.901 215 M N 2.028 121.384 119.600 -0.407 0.000 2.433 215 M HA 0.642 5.122 4.480 -0.001 0.000 0.290 215 M C -1.362 174.886 176.300 -0.088 0.000 1.173 215 M CA -0.286 54.867 55.300 -0.246 0.000 0.905 215 M CB 2.342 34.853 32.600 -0.149 0.000 1.692 215 M HN 0.610 nan 8.290 nan 0.000 0.462 216 G N 3.617 112.459 108.800 0.070 0.000 2.690 216 G HA2 0.837 4.797 3.960 -0.001 0.000 0.291 216 G HA3 0.837 4.797 3.960 -0.001 0.000 0.291 216 G C -2.080 172.913 174.900 0.154 0.000 1.403 216 G CA -0.633 44.544 45.100 0.128 0.000 0.864 216 G HN 0.854 nan 8.290 nan 0.000 0.480 217 F N -0.559 119.361 119.950 -0.050 0.000 2.678 217 F HA 0.797 5.323 4.527 -0.001 0.000 0.308 217 F C -0.231 175.563 175.800 -0.010 0.000 1.118 217 F CA -1.412 56.560 58.000 -0.048 0.000 0.959 217 F CB 1.345 40.304 39.000 -0.069 0.000 1.305 217 F HN 0.664 nan 8.300 nan 0.000 0.443 218 S N 1.159 116.945 115.700 0.144 0.000 2.578 218 S HA 0.663 5.133 4.470 -0.001 0.000 0.283 218 S C -1.560 173.234 174.600 0.323 0.000 1.195 218 S CA -0.572 57.687 58.200 0.099 0.000 1.050 218 S CB 1.659 64.895 63.200 0.061 0.000 1.012 218 S HN 0.891 nan 8.310 nan 0.000 0.511 219 Y N 1.279 121.696 120.300 0.195 0.000 2.326 219 Y HA 0.450 5.000 4.550 -0.000 0.000 0.331 219 Y C -1.096 174.933 175.900 0.216 0.000 0.962 219 Y CA -0.833 57.449 58.100 0.304 0.000 1.167 219 Y CB 1.442 40.188 38.460 0.476 0.000 1.148 219 Y HN 0.856 nan 8.280 nan 0.000 0.463 220 D N 4.296 124.516 120.400 -0.300 0.000 2.359 220 D HA 0.237 4.876 4.640 -0.001 0.000 0.230 220 D C -0.794 175.356 176.300 -0.249 0.000 1.118 220 D CA -0.035 53.868 54.000 -0.161 0.000 0.844 220 D CB 1.038 41.777 40.800 -0.102 0.000 1.059 220 D HN 0.480 nan 8.370 nan 0.000 0.493 221 T N 3.959 118.560 114.554 0.078 0.000 2.780 221 T HA 0.152 4.502 4.350 -0.001 0.000 0.294 221 T C 0.421 175.219 174.700 0.163 0.000 0.949 221 T CA -0.560 61.671 62.100 0.218 0.000 1.074 221 T CB 0.706 69.912 68.868 0.564 0.000 0.910 221 T HN 0.297 nan 8.240 nan 0.000 0.501 222 R N 2.532 123.083 120.500 0.085 0.000 2.404 222 R HA 0.085 4.425 4.340 -0.001 0.000 0.315 222 R C -0.279 176.110 176.300 0.148 0.000 1.032 222 R CA -0.208 55.933 56.100 0.068 0.000 0.992 222 R CB -0.752 29.539 30.300 -0.014 0.000 0.959 222 R HN 0.932 nan 8.270 nan 0.000 0.428 223 C N 5.805 125.220 119.300 0.190 0.000 3.112 223 C HA -0.172 4.288 4.460 -0.001 0.000 0.265 223 C C 1.368 176.548 174.990 0.317 0.000 1.283 223 C CA 0.193 59.368 59.018 0.261 0.000 2.378 223 C CB -2.965 24.951 27.740 0.293 0.000 1.500 223 C HN 1.022 nan 8.230 nan 0.000 0.483 224 F N 1.982 122.040 119.950 0.181 0.000 2.063 224 F HA -0.221 4.305 4.527 -0.001 0.000 0.298 224 F C 1.940 177.849 175.800 0.181 0.000 1.109 224 F CA 2.521 60.631 58.000 0.184 0.000 1.212 224 F CB -0.044 39.057 39.000 0.168 0.000 0.973 224 F HN 0.496 nan 8.300 nan 0.000 0.480 225 D N -0.290 120.377 120.400 0.446 0.000 2.133 225 D HA -0.203 4.437 4.640 -0.001 0.000 0.195 225 D C 2.508 178.889 176.300 0.136 0.000 0.997 225 D CA 1.860 56.043 54.000 0.306 0.000 0.840 225 D CB -0.712 40.265 40.800 0.296 0.000 0.947 225 D HN 0.440 nan 8.370 nan 0.000 0.452 226 S N -0.621 115.181 115.700 0.170 0.000 2.481 226 S HA -0.100 4.370 4.470 -0.001 0.000 0.231 226 S C 1.887 176.480 174.600 -0.013 0.000 0.996 226 S CA 1.392 59.618 58.200 0.043 0.000 0.942 226 S CB -0.542 62.764 63.200 0.177 0.000 0.768 226 S HN 0.370 nan 8.310 nan 0.000 0.520 227 T N -0.466 114.130 114.554 0.070 0.000 3.067 227 T HA 0.225 4.575 4.350 -0.001 0.000 0.257 227 T C 0.559 175.188 174.700 -0.118 0.000 1.105 227 T CA -0.049 62.075 62.100 0.040 0.000 1.104 227 T CB -0.643 68.208 68.868 -0.029 0.000 0.925 227 T HN 0.167 nan 8.240 nan 0.000 0.498 228 V N 4.272 124.082 119.914 -0.172 0.000 2.485 228 V HA 0.271 4.391 4.120 -0.001 0.000 0.287 228 V C 1.193 177.238 176.094 -0.082 0.000 1.022 228 V CA -0.135 62.087 62.300 -0.130 0.000 1.067 228 V CB -0.220 31.577 31.823 -0.044 0.000 0.967 228 V HN 0.716 nan 8.190 nan 0.000 0.479 229 T N 1.295 115.812 114.554 -0.061 0.000 2.881 229 T HA 0.361 4.711 4.350 -0.001 0.000 0.278 229 T C 0.942 175.625 174.700 -0.029 0.000 0.982 229 T CA -0.628 61.440 62.100 -0.053 0.000 0.989 229 T CB 1.366 70.207 68.868 -0.045 0.000 1.058 229 T HN 0.560 nan 8.240 nan 0.000 0.529 230 E N 0.494 120.677 120.200 -0.029 0.000 2.085 230 E HA -0.100 4.250 4.350 -0.001 0.000 0.194 230 E C 2.323 178.925 176.600 0.004 0.000 0.994 230 E CA 1.448 57.844 56.400 -0.006 0.000 0.801 230 E CB -0.435 29.260 29.700 -0.009 0.000 0.743 230 E HN 0.654 nan 8.360 nan 0.000 0.453 231 S N 0.308 116.003 115.700 -0.009 0.000 2.368 231 S HA -0.200 4.269 4.470 -0.001 0.000 0.225 231 S C 1.421 176.030 174.600 0.015 0.000 1.030 231 S CA 1.485 59.683 58.200 -0.004 0.000 0.999 231 S CB -0.308 62.876 63.200 -0.028 0.000 0.844 231 S HN 0.169 nan 8.310 nan 0.000 0.459 232 D N 1.192 121.601 120.400 0.014 0.000 2.117 232 D HA -0.046 4.594 4.640 -0.001 0.000 0.197 232 D C 1.831 178.150 176.300 0.032 0.000 0.987 232 D CA 1.169 55.193 54.000 0.040 0.000 0.829 232 D CB -0.360 40.458 40.800 0.029 0.000 0.961 232 D HN 0.486 nan 8.370 nan 0.000 0.460 233 I N 0.409 120.999 120.570 0.034 0.000 2.439 233 I HA -0.157 4.013 4.170 -0.001 0.000 0.251 233 I C 2.336 178.478 176.117 0.042 0.000 1.139 233 I CA 0.729 62.058 61.300 0.049 0.000 1.438 233 I CB -0.027 38.024 38.000 0.085 0.000 1.085 233 I HN -0.108 nan 8.210 nan 0.000 0.427 234 R N -0.071 120.449 120.500 0.033 0.000 2.119 234 R HA -0.032 4.308 4.340 -0.001 0.000 0.222 234 R C 2.291 178.590 176.300 -0.002 0.000 1.088 234 R CA 0.745 56.861 56.100 0.028 0.000 0.984 234 R CB -0.186 30.129 30.300 0.025 0.000 0.884 234 R HN 0.174 nan 8.270 nan 0.000 0.447 235 V N 1.368 121.280 119.914 -0.003 0.000 2.358 235 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 235 V C 2.346 178.375 176.094 -0.110 0.000 1.047 235 V CA 1.874 64.163 62.300 -0.019 0.000 1.035 235 V CB -0.375 31.475 31.823 0.045 0.000 0.658 235 V HN 0.392 nan 8.190 nan 0.000 0.452 236 E N 0.362 120.478 120.200 -0.141 0.000 2.058 236 E HA -0.312 4.038 4.350 -0.001 0.000 0.194 236 E C 2.256 178.513 176.600 -0.571 0.000 0.997 236 E CA 1.828 58.023 56.400 -0.341 0.000 0.801 236 E CB -0.206 29.357 29.700 -0.228 0.000 0.746 236 E HN 0.719 nan 8.360 nan 0.000 0.450 237 E N 0.321 120.381 120.200 -0.233 0.000 2.110 237 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 237 E C 2.102 178.664 176.600 -0.064 0.000 0.988 237 E CA 1.419 57.787 56.400 -0.054 0.000 0.804 237 E CB -0.120 29.645 29.700 0.108 0.000 0.745 237 E HN 0.334 nan 8.360 nan 0.000 0.458 238 S N 0.312 115.963 115.700 -0.080 0.000 2.419 238 S HA -0.148 4.321 4.470 -0.001 0.000 0.233 238 S C 1.991 176.547 174.600 -0.072 0.000 1.016 238 S CA 1.019 59.191 58.200 -0.047 0.000 0.974 238 S CB -0.481 62.696 63.200 -0.038 0.000 0.786 238 S HN 0.344 nan 8.310 nan 0.000 0.492 239 I N -0.219 120.247 120.570 -0.174 0.000 2.333 239 I HA -0.076 4.094 4.170 -0.001 0.000 0.246 239 I C 2.233 178.318 176.117 -0.054 0.000 1.106 239 I CA 1.100 62.302 61.300 -0.163 0.000 1.411 239 I CB -0.475 37.363 38.000 -0.270 0.000 1.082 239 I HN 0.215 nan 8.210 nan 0.000 0.420 240 Y N 1.114 121.406 120.300 -0.013 0.000 2.224 240 Y HA -0.207 4.343 4.550 -0.000 0.000 0.289 240 Y C 2.638 178.540 175.900 0.004 0.000 1.146 240 Y CA 0.661 58.756 58.100 -0.007 0.000 1.182 240 Y CB -0.976 37.490 38.460 0.010 0.000 0.983 240 Y HN 0.222 nan 8.280 nan 0.000 0.524 241 Q N -1.237 118.657 119.800 0.156 0.000 2.439 241 Q HA -0.132 4.208 4.340 -0.001 0.000 0.211 241 Q C 2.167 178.203 176.000 0.060 0.000 0.978 241 Q CA 0.904 56.764 55.803 0.095 0.000 0.897 241 Q CB -0.676 28.102 28.738 0.066 0.000 0.956 241 Q HN 0.505 nan 8.270 nan 0.000 0.483 242 C N -0.061 119.268 119.300 0.048 0.000 2.500 242 C HA 0.034 4.494 4.460 -0.001 0.000 0.273 242 C C 1.454 176.462 174.990 0.031 0.000 1.428 242 C CA -0.816 58.218 59.018 0.027 0.000 1.766 242 C CB -0.724 27.021 27.740 0.008 0.000 1.817 242 C HN 0.383 nan 8.230 nan 0.000 0.543 243 C N 1.472 120.800 119.300 0.048 0.000 2.656 243 C HA 0.207 4.667 4.460 -0.001 0.000 0.391 243 C C 0.449 175.460 174.990 0.034 0.000 1.300 243 C CA -0.315 58.726 59.018 0.038 0.000 2.302 243 C CB -0.294 27.474 27.740 0.047 0.000 2.655 243 C HN 0.552 nan 8.230 nan 0.000 0.656 244 D N 1.096 121.511 120.400 0.026 0.000 2.312 244 D HA 0.521 5.161 4.640 -0.001 0.000 0.252 244 D C -0.784 175.536 176.300 0.033 0.000 1.150 244 D CA 0.141 54.156 54.000 0.026 0.000 0.870 244 D CB 0.332 41.144 40.800 0.020 0.000 1.153 244 D HN 0.375 nan 8.370 nan 0.000 0.457 245 L N 2.576 123.822 121.223 0.039 0.000 2.371 245 L HA 0.678 5.018 4.340 -0.001 0.000 0.262 245 L C -0.009 176.892 176.870 0.052 0.000 1.006 245 L CA -1.495 53.374 54.840 0.049 0.000 0.818 245 L CB 1.901 43.995 42.059 0.058 0.000 1.354 245 L HN 0.451 nan 8.230 nan 0.000 0.415 246 A N 1.707 124.566 122.820 0.064 0.000 2.407 246 A HA 0.427 4.747 4.320 -0.001 0.000 0.248 246 A C -1.849 175.782 177.584 0.077 0.000 1.082 246 A CA -0.962 51.116 52.037 0.069 0.000 0.785 246 A CB 0.005 19.055 19.000 0.084 0.000 1.020 246 A HN 0.629 nan 8.150 nan 0.000 0.489 247 P HA -0.205 nan 4.420 nan 0.000 0.216 247 P C 1.056 178.393 177.300 0.062 0.000 1.157 247 P CA 1.796 64.928 63.100 0.054 0.000 0.880 247 P CB 0.143 31.869 31.700 0.044 0.000 0.791 248 E N -0.741 119.526 120.200 0.111 0.000 2.106 248 E HA -0.133 4.217 4.350 -0.001 0.000 0.192 248 E C 2.072 178.752 176.600 0.133 0.000 0.984 248 E CA 1.121 57.603 56.400 0.136 0.000 0.806 248 E CB -0.497 29.413 29.700 0.349 0.000 0.750 248 E HN 0.185 nan 8.360 nan 0.000 0.458 249 A N 1.708 124.656 122.820 0.214 0.000 1.898 249 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 249 A C 2.129 179.767 177.584 0.091 0.000 1.181 249 A CA 1.382 53.546 52.037 0.210 0.000 0.620 249 A CB -0.433 18.679 19.000 0.186 0.000 0.819 249 A HN 0.068 nan 8.150 nan 0.000 0.442 250 R N -0.900 119.639 120.500 0.066 0.000 2.081 250 R HA -0.215 4.125 4.340 -0.001 0.000 0.235 250 R C 2.381 178.687 176.300 0.010 0.000 1.131 250 R CA 1.934 58.061 56.100 0.044 0.000 0.960 250 R CB -0.201 30.123 30.300 0.040 0.000 0.856 250 R HN 0.552 nan 8.270 nan 0.000 0.436 251 Q N 0.247 120.031 119.800 -0.028 0.000 2.083 251 Q HA -0.019 4.321 4.340 -0.001 0.000 0.198 251 Q C 1.809 177.729 176.000 -0.133 0.000 0.969 251 Q CA 2.051 57.807 55.803 -0.078 0.000 0.838 251 Q CB -0.305 28.368 28.738 -0.107 0.000 0.900 251 Q HN 0.393 nan 8.270 nan 0.000 0.436 252 A N 0.352 123.048 122.820 -0.206 0.000 1.908 252 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 252 A C 2.151 179.676 177.584 -0.099 0.000 1.181 252 A CA 1.617 53.484 52.037 -0.284 0.000 0.627 252 A CB -0.785 17.951 19.000 -0.440 0.000 0.818 252 A HN 0.490 nan 8.150 nan 0.000 0.445 253 I N -1.324 119.244 120.570 -0.003 0.000 2.252 253 I HA -0.215 3.955 4.170 -0.001 0.000 0.245 253 I C 2.667 178.831 176.117 0.079 0.000 1.102 253 I CA 1.609 62.959 61.300 0.083 0.000 1.385 253 I CB -0.240 37.828 38.000 0.114 0.000 1.064 253 I HN 0.328 nan 8.210 nan 0.000 0.414 254 R N 1.074 121.593 120.500 0.032 0.000 2.073 254 R HA -0.122 4.218 4.340 -0.001 0.000 0.234 254 R C 2.321 178.613 176.300 -0.013 0.000 1.134 254 R CA 2.107 58.220 56.100 0.022 0.000 0.952 254 R CB -0.489 29.811 30.300 0.001 0.000 0.850 254 R HN 0.136 nan 8.270 nan 0.000 0.433 255 S N 0.348 116.011 115.700 -0.062 0.000 2.355 255 S HA -0.053 4.416 4.470 -0.001 0.000 0.222 255 S C 1.824 176.351 174.600 -0.122 0.000 1.031 255 S CA 1.334 59.477 58.200 -0.095 0.000 0.993 255 S CB -0.277 62.840 63.200 -0.139 0.000 0.859 255 S HN 0.268 nan 8.310 nan 0.000 0.453 256 L N 1.066 122.195 121.223 -0.156 0.000 2.131 256 L HA -0.125 4.215 4.340 -0.001 0.000 0.210 256 L C 2.617 179.253 176.870 -0.389 0.000 1.092 256 L CA 1.067 55.711 54.840 -0.327 0.000 0.759 256 L CB -0.927 40.923 42.059 -0.348 0.000 0.903 256 L HN 0.321 nan 8.230 nan 0.000 0.435 257 T N -1.072 113.445 114.554 -0.062 0.000 2.708 257 T HA -0.146 4.203 4.350 -0.001 0.000 0.266 257 T C 1.776 176.496 174.700 0.034 0.000 1.037 257 T CA 1.134 63.309 62.100 0.125 0.000 1.146 257 T CB -0.060 68.925 68.868 0.196 0.000 0.865 257 T HN 0.261 nan 8.240 nan 0.000 0.435 258 E N 0.920 121.117 120.200 -0.005 0.000 2.158 258 E HA 0.034 4.384 4.350 -0.001 0.000 0.191 258 E C 2.308 178.891 176.600 -0.028 0.000 0.982 258 E CA 0.750 57.147 56.400 -0.006 0.000 0.823 258 E CB -0.052 29.643 29.700 -0.009 0.000 0.766 258 E HN 0.456 nan 8.360 nan 0.000 0.468 259 R N -0.597 119.856 120.500 -0.078 0.000 2.237 259 R HA 0.125 4.465 4.340 -0.001 0.000 0.195 259 R C 1.793 178.021 176.300 -0.119 0.000 0.956 259 R CA 0.272 56.321 56.100 -0.084 0.000 1.029 259 R CB 0.309 30.552 30.300 -0.094 0.000 0.972 259 R HN 0.023 nan 8.270 nan 0.000 0.493 260 L N -1.988 119.111 121.223 -0.207 0.000 2.691 260 L HA 0.191 4.531 4.340 -0.001 0.000 0.185 260 L C 1.295 178.102 176.870 -0.105 0.000 1.081 260 L CA 0.809 55.511 54.840 -0.229 0.000 0.865 260 L CB -0.243 41.573 42.059 -0.404 0.000 1.370 260 L HN -0.123 nan 8.230 nan 0.000 0.488 261 Y N 1.310 121.628 120.300 0.031 0.000 2.200 261 Y HA -0.081 4.469 4.550 -0.001 0.000 0.290 261 Y C 2.509 178.421 175.900 0.021 0.000 1.137 261 Y CA 1.591 59.717 58.100 0.043 0.000 1.163 261 Y CB -1.197 37.310 38.460 0.078 0.000 0.988 261 Y HN 0.356 nan 8.280 nan 0.000 0.518 262 I N -2.492 118.169 120.570 0.151 0.000 2.676 262 I HA 0.311 4.481 4.170 -0.001 0.000 0.259 262 I C 1.100 177.234 176.117 0.027 0.000 1.194 262 I CA 1.088 62.436 61.300 0.081 0.000 1.473 262 I CB -0.432 37.606 38.000 0.062 0.000 1.096 262 I HN 0.142 nan 8.210 nan 0.000 0.443 263 G N -0.473 108.324 108.800 -0.004 0.000 2.356 263 G HA2 0.464 4.424 3.960 -0.001 0.000 0.288 263 G HA3 0.464 4.424 3.960 -0.001 0.000 0.288 263 G C -0.755 174.008 174.900 -0.229 0.000 1.302 263 G CA -0.309 44.726 45.100 -0.108 0.000 0.887 263 G HN 0.817 nan 8.290 nan 0.000 0.521 264 G N -1.077 107.329 108.800 -0.656 0.000 2.320 264 G HA2 0.705 4.665 3.960 -0.001 0.000 0.297 264 G HA3 0.705 4.665 3.960 -0.001 0.000 0.297 264 G C -3.445 170.761 174.900 -1.156 0.000 1.344 264 G CA 0.242 44.867 45.100 -0.793 0.000 0.851 264 G HN 0.882 nan 8.290 nan 0.000 0.567 265 P HA 0.466 nan 4.420 nan 0.000 0.275 265 P C -0.591 176.593 177.300 -0.193 0.000 1.228 265 P CA -0.132 62.807 63.100 -0.269 0.000 0.786 265 P CB 1.237 32.927 31.700 -0.017 0.000 0.927 266 L N 2.155 123.314 121.223 -0.106 0.000 2.313 266 L HA 0.467 4.807 4.340 -0.001 0.000 0.283 266 L C 0.401 177.266 176.870 -0.009 0.000 1.013 266 L CA -0.260 54.549 54.840 -0.053 0.000 0.816 266 L CB 1.780 43.837 42.059 -0.002 0.000 1.236 266 L HN 0.285 nan 8.230 nan 0.000 0.419 267 T N 1.299 115.831 114.554 -0.037 0.000 2.824 267 T HA 0.342 4.692 4.350 -0.001 0.000 0.282 267 T C -0.257 174.424 174.700 -0.032 0.000 0.993 267 T CA -0.850 61.234 62.100 -0.027 0.000 0.967 267 T CB 1.522 70.358 68.868 -0.055 0.000 0.960 267 T HN 0.646 nan 8.240 nan 0.000 0.441 268 N N 0.679 119.378 118.700 -0.001 0.000 2.379 268 N HA 0.151 4.891 4.740 -0.001 0.000 0.260 268 N C 1.500 177.001 175.510 -0.015 0.000 1.254 268 N CA -0.280 52.770 53.050 0.001 0.000 0.958 268 N CB 0.168 38.667 38.487 0.020 0.000 1.208 268 N HN 0.452 nan 8.380 nan 0.000 0.532 269 S N -0.684 115.016 115.700 -0.001 0.000 2.419 269 S HA -0.190 4.280 4.470 -0.001 0.000 0.235 269 S C 1.088 175.684 174.600 -0.007 0.000 1.019 269 S CA 0.910 59.110 58.200 0.001 0.000 0.982 269 S CB -0.504 62.709 63.200 0.022 0.000 0.789 269 S HN 0.639 nan 8.310 nan 0.000 0.490 270 K N 0.723 121.121 120.400 -0.003 0.000 2.459 270 K HA 0.229 4.549 4.320 -0.001 0.000 0.193 270 K C 1.266 177.861 176.600 -0.010 0.000 1.030 270 K CA 0.393 56.678 56.287 -0.003 0.000 1.026 270 K CB -0.265 32.237 32.500 0.004 0.000 0.809 270 K HN 0.591 nan 8.250 nan 0.000 0.504 271 G N 1.874 110.664 108.800 -0.017 0.000 2.132 271 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.234 271 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.234 271 G C -0.318 174.578 174.900 -0.007 0.000 0.989 271 G CA -0.123 44.964 45.100 -0.022 0.000 0.676 271 G HN 0.346 nan 8.290 nan 0.000 0.522 272 Q N -0.159 119.643 119.800 0.004 0.000 2.227 272 Q HA 0.348 4.687 4.340 -0.001 0.000 0.245 272 Q C 0.323 176.339 176.000 0.027 0.000 0.926 272 Q CA -0.646 55.167 55.803 0.017 0.000 0.895 272 Q CB 1.113 29.865 28.738 0.023 0.000 1.230 272 Q HN 0.383 nan 8.270 nan 0.000 0.450 273 N N 1.270 119.992 118.700 0.037 0.000 2.406 273 N HA 0.009 4.749 4.740 -0.001 0.000 0.265 273 N C -0.048 175.511 175.510 0.081 0.000 1.203 273 N CA -0.410 52.671 53.050 0.051 0.000 0.945 273 N CB 0.463 38.981 38.487 0.052 0.000 1.165 273 N HN 0.575 nan 8.380 nan 0.000 0.485 274 C N 3.015 122.376 119.300 0.102 0.000 2.485 274 C HA 0.334 4.793 4.460 -0.001 0.000 0.278 274 C C 1.309 176.446 174.990 0.246 0.000 1.356 274 C CA 0.806 59.936 59.018 0.187 0.000 1.747 274 C CB -1.098 26.777 27.740 0.225 0.000 2.001 274 C HN 0.974 nan 8.230 nan 0.000 0.501 275 G N -2.176 106.698 108.800 0.123 0.000 2.398 275 G HA2 0.311 4.271 3.960 -0.001 0.000 0.251 275 G HA3 0.311 4.271 3.960 -0.001 0.000 0.251 275 G C -2.140 172.767 174.900 0.011 0.000 1.277 275 G CA -0.401 44.720 45.100 0.035 0.000 0.927 275 G HN 0.024 nan 8.290 nan 0.000 0.477 276 Y N 0.590 120.755 120.300 -0.226 0.000 2.477 276 Y HA 0.774 5.323 4.550 -0.001 0.000 0.347 276 Y C 0.096 175.874 175.900 -0.204 0.000 0.981 276 Y CA -0.874 57.125 58.100 -0.169 0.000 1.033 276 Y CB 2.088 40.465 38.460 -0.139 0.000 1.245 276 Y HN 0.689 nan 8.280 nan 0.000 0.455 277 R N 4.534 124.809 120.500 -0.376 0.000 2.514 277 R HA 0.564 4.903 4.340 -0.001 0.000 0.301 277 R C -0.833 175.311 176.300 -0.260 0.000 0.962 277 R CA -0.604 55.313 56.100 -0.305 0.000 0.882 277 R CB 0.971 31.158 30.300 -0.189 0.000 1.143 277 R HN 0.908 nan 8.270 nan 0.000 0.452 278 R N 3.270 123.590 120.500 -0.300 0.000 2.668 278 R HA 0.220 4.560 4.340 -0.001 0.000 0.435 278 R C -0.570 175.596 176.300 -0.223 0.000 1.059 278 R CA -0.306 55.696 56.100 -0.162 0.000 1.073 278 R CB 0.503 30.742 30.300 -0.102 0.000 1.401 278 R HN 0.791 nan 8.270 nan 0.000 0.590 279 C N -1.887 117.244 119.300 -0.282 0.000 3.321 279 C HA 0.614 5.073 4.460 -0.001 0.000 0.363 279 C C -0.257 174.683 174.990 -0.084 0.000 1.705 279 C CA -1.510 57.382 59.018 -0.211 0.000 1.298 279 C CB 1.274 28.811 27.740 -0.338 0.000 2.086 279 C HN 0.336 nan 8.230 nan 0.000 0.438 280 R N 1.176 121.676 120.500 -0.000 0.000 2.538 280 R HA 0.478 4.817 4.340 -0.001 0.000 0.282 280 R C 0.050 176.426 176.300 0.126 0.000 1.009 280 R CA 0.987 57.143 56.100 0.093 0.000 1.063 280 R CB -0.151 30.244 30.300 0.159 0.000 0.945 280 R HN 1.178 nan 8.270 nan 0.000 0.414 281 A N 3.350 126.260 122.820 0.149 0.000 2.309 281 A HA 0.281 4.601 4.320 -0.001 0.000 0.298 281 A C 1.051 178.749 177.584 0.190 0.000 1.165 281 A CA 0.019 52.161 52.037 0.175 0.000 0.821 281 A CB 0.804 19.909 19.000 0.175 0.000 1.102 281 A HN 1.016 nan 8.150 nan 0.000 0.500 282 S N 2.124 117.946 115.700 0.203 0.000 2.406 282 S HA 0.027 4.497 4.470 -0.001 0.000 0.228 282 S C 1.165 175.870 174.600 0.175 0.000 1.020 282 S CA 1.023 59.335 58.200 0.187 0.000 0.965 282 S CB -0.196 63.117 63.200 0.188 0.000 0.798 282 S HN 1.319 nan 8.310 nan 0.000 0.488 283 G N 2.137 111.064 108.800 0.213 0.000 4.178 283 G HA2 0.523 4.483 3.960 -0.001 0.000 0.287 283 G HA3 0.523 4.483 3.960 -0.001 0.000 0.287 283 G C -0.210 174.824 174.900 0.224 0.000 1.293 283 G CA -0.032 45.196 45.100 0.212 0.000 1.393 283 G HN 0.733 nan 8.290 nan 0.000 0.623 284 V N -2.301 117.734 119.914 0.201 0.000 3.001 284 V HA 0.556 4.676 4.120 -0.001 0.000 0.314 284 V C 1.262 177.453 176.094 0.163 0.000 1.099 284 V CA -0.990 61.451 62.300 0.234 0.000 0.989 284 V CB 1.717 33.762 31.823 0.370 0.000 1.040 284 V HN 0.091 nan 8.190 nan 0.000 0.434 285 L N 2.663 123.992 121.223 0.176 0.000 2.081 285 L HA -0.077 4.263 4.340 -0.001 0.000 0.212 285 L C 2.397 179.288 176.870 0.035 0.000 1.080 285 L CA 3.178 58.095 54.840 0.127 0.000 0.754 285 L CB -0.675 41.480 42.059 0.159 0.000 0.893 285 L HN 1.115 nan 8.230 nan 0.000 0.433 286 T N -5.947 108.546 114.554 -0.102 0.000 3.148 286 T HA -0.027 4.323 4.350 -0.001 0.000 0.253 286 T C 1.593 176.241 174.700 -0.087 0.000 1.134 286 T CA 0.814 62.801 62.100 -0.189 0.000 1.051 286 T CB -0.745 67.831 68.868 -0.488 0.000 0.959 286 T HN 0.300 nan 8.240 nan 0.000 0.525 287 T N 1.908 116.448 114.554 -0.024 0.000 2.684 287 T HA -0.150 4.200 4.350 -0.001 0.000 0.267 287 T C 2.206 176.934 174.700 0.046 0.000 1.036 287 T CA 1.737 63.861 62.100 0.039 0.000 1.148 287 T CB -0.633 68.284 68.868 0.082 0.000 0.863 287 T HN 0.542 nan 8.240 nan 0.000 0.436 288 S N -0.291 115.413 115.700 0.008 0.000 2.345 288 S HA -0.143 4.327 4.470 -0.001 0.000 0.220 288 S C 2.450 177.071 174.600 0.034 0.000 1.031 288 S CA 1.358 59.548 58.200 -0.017 0.000 0.996 288 S CB -0.920 62.163 63.200 -0.195 0.000 0.882 288 S HN 0.676 nan 8.310 nan 0.000 0.445 289 C N 1.292 120.589 119.300 -0.004 0.000 2.436 289 C HA 0.096 4.556 4.460 -0.001 0.000 0.277 289 C C 2.861 177.903 174.990 0.087 0.000 1.241 289 C CA 1.175 60.210 59.018 0.028 0.000 1.721 289 C CB -1.787 25.950 27.740 -0.006 0.000 2.043 289 C HN 0.702 nan 8.230 nan 0.000 0.472 290 G N 0.520 109.382 108.800 0.104 0.000 2.446 290 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 290 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 290 G C 1.513 176.496 174.900 0.137 0.000 1.168 290 G CA 1.181 46.346 45.100 0.109 0.000 0.771 290 G HN 0.607 nan 8.290 nan 0.000 0.551 291 N N 0.308 119.093 118.700 0.143 0.000 2.166 291 N HA -0.069 4.671 4.740 -0.001 0.000 0.186 291 N C 2.418 177.964 175.510 0.060 0.000 1.019 291 N CA 1.556 54.691 53.050 0.140 0.000 0.856 291 N CB -0.669 37.803 38.487 -0.025 0.000 0.993 291 N HN 0.256 nan 8.380 nan 0.000 0.426 292 T N 1.670 116.277 114.554 0.089 0.000 2.708 292 T HA -0.005 4.345 4.350 -0.001 0.000 0.266 292 T C 2.125 176.904 174.700 0.132 0.000 1.037 292 T CA 0.692 62.864 62.100 0.120 0.000 1.146 292 T CB -0.293 68.716 68.868 0.234 0.000 0.865 292 T HN 0.130 nan 8.240 nan 0.000 0.435 293 L N 0.701 121.976 121.223 0.087 0.000 2.046 293 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 293 L C 2.945 179.898 176.870 0.138 0.000 1.077 293 L CA 1.270 56.146 54.840 0.061 0.000 0.747 293 L CB -1.095 40.946 42.059 -0.031 0.000 0.896 293 L HN 0.296 nan 8.230 nan 0.000 0.432 294 T N -1.333 113.325 114.554 0.172 0.000 2.777 294 T HA -0.234 4.116 4.350 -0.001 0.000 0.266 294 T C 2.011 176.897 174.700 0.310 0.000 1.040 294 T CA 1.496 63.735 62.100 0.231 0.000 1.141 294 T CB -0.474 68.585 68.868 0.318 0.000 0.868 294 T HN 0.463 nan 8.240 nan 0.000 0.444 295 C N 0.620 120.147 119.300 0.379 0.000 2.446 295 C HA -0.048 4.412 4.460 -0.001 0.000 0.277 295 C C 2.411 177.551 174.990 0.250 0.000 1.275 295 C CA 0.371 59.605 59.018 0.359 0.000 1.727 295 C CB -1.405 26.439 27.740 0.173 0.000 2.010 295 C HN 0.647 nan 8.230 nan 0.000 0.486 296 Y N 1.084 121.441 120.300 0.095 0.000 2.181 296 Y HA -0.090 4.460 4.550 -0.001 0.000 0.288 296 Y C 2.142 178.058 175.900 0.027 0.000 1.146 296 Y CA 2.041 60.175 58.100 0.058 0.000 1.164 296 Y CB -0.551 37.927 38.460 0.030 0.000 0.982 296 Y HN 0.336 nan 8.280 nan 0.000 0.515 297 L N 1.107 122.408 121.223 0.130 0.000 1.994 297 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 297 L C 2.096 178.872 176.870 -0.156 0.000 1.071 297 L CA 2.026 56.822 54.840 -0.075 0.000 0.745 297 L CB -0.904 41.077 42.059 -0.130 0.000 0.892 297 L HN 0.141 nan 8.230 nan 0.000 0.431 298 K N -0.382 120.000 120.400 -0.029 0.000 2.057 298 K HA -0.070 4.249 4.320 -0.001 0.000 0.207 298 K C 2.081 178.733 176.600 0.086 0.000 1.049 298 K CA 1.337 57.637 56.287 0.023 0.000 0.931 298 K CB -0.423 32.173 32.500 0.160 0.000 0.714 298 K HN 0.501 nan 8.250 nan 0.000 0.440 299 A N 1.006 123.861 122.820 0.059 0.000 1.898 299 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 299 A C 2.230 179.872 177.584 0.097 0.000 1.181 299 A CA 1.836 53.948 52.037 0.125 0.000 0.620 299 A CB -0.880 18.233 19.000 0.188 0.000 0.819 299 A HN 0.224 nan 8.150 nan 0.000 0.442 300 T N 0.391 114.867 114.554 -0.130 0.000 2.708 300 T HA -0.046 4.303 4.350 -0.001 0.000 0.266 300 T C 2.225 176.889 174.700 -0.059 0.000 1.037 300 T CA 1.683 63.666 62.100 -0.196 0.000 1.146 300 T CB -0.442 68.145 68.868 -0.468 0.000 0.865 300 T HN 0.582 nan 8.240 nan 0.000 0.435 301 A N 1.348 124.155 122.820 -0.022 0.000 1.930 301 A HA 0.213 4.533 4.320 -0.001 0.000 0.217 301 A C 2.639 180.318 177.584 0.157 0.000 1.175 301 A CA 1.731 53.822 52.037 0.090 0.000 0.627 301 A CB -1.059 18.016 19.000 0.125 0.000 0.815 301 A HN 0.500 nan 8.150 nan 0.000 0.443 302 A N -0.938 122.010 122.820 0.213 0.000 1.933 302 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 302 A C 2.285 179.947 177.584 0.130 0.000 1.175 302 A CA 1.678 53.726 52.037 0.019 0.000 0.628 302 A CB -1.297 17.453 19.000 -0.416 0.000 0.814 302 A HN 0.591 nan 8.150 nan 0.000 0.444 303 C N -0.914 118.542 119.300 0.260 0.000 2.413 303 C HA -0.103 4.357 4.460 -0.001 0.000 0.276 303 C C 2.905 177.918 174.990 0.039 0.000 1.248 303 C CA 1.174 60.331 59.018 0.233 0.000 1.742 303 C CB -1.314 26.507 27.740 0.136 0.000 2.017 303 C HN 0.610 nan 8.230 nan 0.000 0.481 304 R N 1.030 121.477 120.500 -0.090 0.000 2.066 304 R HA -0.080 4.260 4.340 -0.001 0.000 0.232 304 R C 2.432 178.515 176.300 -0.361 0.000 1.131 304 R CA 1.574 57.517 56.100 -0.262 0.000 0.955 304 R CB -0.579 29.460 30.300 -0.435 0.000 0.851 304 R HN 0.530 nan 8.270 nan 0.000 0.432 305 A N 1.396 123.985 122.820 -0.385 0.000 1.940 305 A HA -0.107 4.213 4.320 -0.001 0.000 0.219 305 A C 2.266 179.824 177.584 -0.042 0.000 1.176 305 A CA 1.751 53.691 52.037 -0.163 0.000 0.631 305 A CB -0.511 18.475 19.000 -0.024 0.000 0.814 305 A HN 0.403 nan 8.150 nan 0.000 0.446 306 A N -2.160 120.655 122.820 -0.008 0.000 2.206 306 A HA 0.288 4.608 4.320 -0.001 0.000 0.211 306 A C 1.070 178.667 177.584 0.020 0.000 1.158 306 A CA 1.186 53.246 52.037 0.037 0.000 0.761 306 A CB -0.155 18.923 19.000 0.130 0.000 0.801 306 A HN 0.373 nan 8.150 nan 0.000 0.473 307 K N -2.324 118.074 120.400 -0.003 0.000 3.192 307 K HA -0.129 4.191 4.320 -0.001 0.000 0.278 307 K C -0.684 175.919 176.600 0.004 0.000 1.164 307 K CA 0.334 56.620 56.287 -0.002 0.000 0.816 307 K CB -2.434 30.070 32.500 0.006 0.000 1.256 307 K HN 0.345 nan 8.250 nan 0.000 0.497 308 L N 1.111 122.342 121.223 0.014 0.000 2.410 308 L HA 0.173 4.513 4.340 -0.001 0.000 0.273 308 L C 0.694 177.563 176.870 -0.001 0.000 1.144 308 L CA 0.544 55.392 54.840 0.013 0.000 0.863 308 L CB 0.795 42.873 42.059 0.032 0.000 1.140 308 L HN 0.142 nan 8.230 nan 0.000 0.463 309 Q N 2.285 122.080 119.800 -0.008 0.000 2.243 309 Q HA 0.262 4.601 4.340 -0.001 0.000 0.252 309 Q C -0.651 175.331 176.000 -0.029 0.000 0.909 309 Q CA -0.137 55.656 55.803 -0.017 0.000 0.922 309 Q CB 0.705 29.432 28.738 -0.019 0.000 1.215 309 Q HN 0.464 nan 8.270 nan 0.000 0.427 310 D N 1.054 121.437 120.400 -0.028 0.000 2.890 310 D HA -0.201 4.439 4.640 -0.001 0.000 0.226 310 D C -0.911 175.363 176.300 -0.044 0.000 1.207 310 D CA 0.431 54.410 54.000 -0.035 0.000 0.764 310 D CB -1.122 39.649 40.800 -0.048 0.000 0.948 310 D HN 0.414 nan 8.370 nan 0.000 0.404 311 C N 0.805 120.087 119.300 -0.031 0.000 2.536 311 C HA 0.493 4.953 4.460 -0.001 0.000 0.396 311 C C 1.072 176.048 174.990 -0.024 0.000 1.279 311 C CA -0.131 58.864 59.018 -0.039 0.000 2.148 311 C CB 1.007 28.727 27.740 -0.032 0.000 2.584 311 C HN 0.382 nan 8.230 nan 0.000 0.579 312 T N 5.197 119.730 114.554 -0.034 0.000 2.890 312 T HA 0.487 4.837 4.350 -0.001 0.000 0.295 312 T C -0.425 174.292 174.700 0.028 0.000 0.993 312 T CA -0.219 61.894 62.100 0.022 0.000 0.979 312 T CB 0.767 69.619 68.868 -0.027 0.000 0.967 312 T HN 0.538 nan 8.240 nan 0.000 0.441 313 M N 3.023 122.681 119.600 0.096 0.000 2.644 313 M HA 0.687 5.167 4.480 -0.001 0.000 0.316 313 M C -1.274 175.135 176.300 0.181 0.000 1.200 313 M CA -1.214 54.131 55.300 0.075 0.000 0.944 313 M CB 2.022 34.647 32.600 0.042 0.000 1.691 313 M HN 0.314 nan 8.290 nan 0.000 0.471 314 L N 2.251 123.544 121.223 0.116 0.000 2.441 314 L HA 0.653 4.993 4.340 -0.001 0.000 0.270 314 L C -1.541 175.333 176.870 0.006 0.000 0.973 314 L CA -0.475 54.421 54.840 0.094 0.000 0.842 314 L CB 1.835 43.973 42.059 0.132 0.000 1.239 314 L HN 0.493 nan 8.230 nan 0.000 0.406 315 V N 4.196 124.098 119.914 -0.020 0.000 2.540 315 V HA 0.596 4.716 4.120 -0.001 0.000 0.302 315 V C -0.683 175.249 176.094 -0.270 0.000 1.035 315 V CA -0.633 61.632 62.300 -0.058 0.000 0.873 315 V CB 1.970 33.852 31.823 0.097 0.000 0.992 315 V HN 0.785 nan 8.190 nan 0.000 0.428 316 N N 3.498 121.986 118.700 -0.353 0.000 2.664 316 N HA 0.614 5.354 4.740 -0.001 0.000 0.257 316 N C 0.532 175.915 175.510 -0.212 0.000 1.108 316 N CA 0.587 53.206 53.050 -0.720 0.000 0.822 316 N CB 1.667 39.611 38.487 -0.904 0.000 1.199 316 N HN 1.100 nan 8.380 nan 0.000 0.529 317 G N 2.340 111.170 108.800 0.051 0.000 2.591 317 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.298 317 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.298 317 G C 0.452 175.211 174.900 -0.236 0.000 1.195 317 G CA 0.700 45.814 45.100 0.023 0.000 0.989 317 G HN 0.602 nan 8.290 nan 0.000 0.551 318 D N 1.167 121.341 120.400 -0.377 0.000 2.340 318 D HA 0.129 4.768 4.640 -0.001 0.000 0.220 318 D C 0.413 176.601 176.300 -0.187 0.000 1.039 318 D CA 0.814 54.430 54.000 -0.640 0.000 0.866 318 D CB -0.054 40.328 40.800 -0.695 0.000 0.913 318 D HN 0.420 nan 8.370 nan 0.000 0.523 319 D N 0.648 120.985 120.400 -0.105 0.000 2.280 319 D HA 0.312 4.952 4.640 -0.001 0.000 0.243 319 D C -0.960 175.330 176.300 -0.017 0.000 1.129 319 D CA -0.543 53.439 54.000 -0.031 0.000 0.848 319 D CB 1.150 41.922 40.800 -0.047 0.000 1.107 319 D HN 0.074 nan 8.370 nan 0.000 0.471 320 L N 4.750 126.008 121.223 0.059 0.000 2.408 320 L HA 0.573 4.913 4.340 -0.001 0.000 0.268 320 L C -1.803 175.074 176.870 0.013 0.000 0.986 320 L CA -0.669 54.209 54.840 0.064 0.000 0.820 320 L CB 2.020 44.184 42.059 0.175 0.000 1.303 320 L HN 0.156 nan 8.230 nan 0.000 0.411 321 V N 5.613 125.483 119.914 -0.072 0.000 2.709 321 V HA 0.799 4.918 4.120 -0.001 0.000 0.308 321 V C -1.433 174.490 176.094 -0.285 0.000 1.062 321 V CA -0.334 61.858 62.300 -0.179 0.000 0.901 321 V CB 2.399 34.156 31.823 -0.109 0.000 1.003 321 V HN 0.619 nan 8.190 nan 0.000 0.425 322 V N 7.447 127.004 119.914 -0.595 0.000 2.656 322 V HA 0.607 4.727 4.120 -0.001 0.000 0.307 322 V C -0.493 175.331 176.094 -0.449 0.000 1.051 322 V CA -0.492 61.448 62.300 -0.600 0.000 0.893 322 V CB 1.924 33.145 31.823 -1.004 0.000 0.999 322 V HN 0.744 nan 8.190 nan 0.000 0.426 323 I N 4.641 125.082 120.570 -0.215 0.000 2.436 323 I HA 0.696 4.865 4.170 -0.001 0.000 0.289 323 I C -0.135 175.903 176.117 -0.131 0.000 1.010 323 I CA -0.328 60.904 61.300 -0.114 0.000 1.098 323 I CB 1.730 39.714 38.000 -0.027 0.000 1.266 323 I HN 0.902 nan 8.210 nan 0.000 0.434 324 C N 2.488 121.709 119.300 -0.131 0.000 3.336 324 C HA 0.586 5.045 4.460 -0.001 0.000 0.352 324 C C -0.606 174.299 174.990 -0.142 0.000 1.567 324 C CA -0.892 58.059 59.018 -0.111 0.000 1.328 324 C CB 1.888 29.599 27.740 -0.047 0.000 1.922 324 C HN 0.619 nan 8.230 nan 0.000 0.439 325 E N 1.745 121.884 120.200 -0.103 0.000 2.259 325 E HA 0.315 4.665 4.350 -0.001 0.000 0.281 325 E C -0.047 176.522 176.600 -0.052 0.000 1.037 325 E CA 0.452 56.793 56.400 -0.098 0.000 0.854 325 E CB 1.738 31.393 29.700 -0.076 0.000 1.051 325 E HN 0.705 nan 8.360 nan 0.000 0.409 326 S N 1.682 117.361 115.700 -0.035 0.000 2.564 326 S HA 0.315 4.784 4.470 -0.001 0.000 0.278 326 S C 0.443 175.054 174.600 0.018 0.000 1.333 326 S CA 0.027 58.251 58.200 0.039 0.000 1.048 326 S CB 0.648 63.929 63.200 0.135 0.000 0.900 326 S HN 0.529 nan 8.310 nan 0.000 0.505 327 A N 3.239 126.077 122.820 0.030 0.000 2.564 327 A HA 0.669 4.989 4.320 -0.001 0.000 0.279 327 A C 0.811 178.401 177.584 0.010 0.000 1.232 327 A CA 0.226 52.269 52.037 0.010 0.000 0.950 327 A CB -0.731 18.273 19.000 0.007 0.000 1.138 327 A HN 1.794 nan 8.150 nan 0.000 0.526 328 G N -1.891 106.921 108.800 0.020 0.000 2.484 328 G HA2 0.054 4.014 3.960 -0.001 0.000 0.685 328 G HA3 0.054 4.014 3.960 -0.001 0.000 0.685 328 G C 0.352 175.265 174.900 0.021 0.000 1.294 328 G CA -0.147 44.950 45.100 -0.005 0.000 0.879 328 G HN 0.259 nan 8.290 nan 0.000 0.646 329 T N 0.650 115.190 114.554 -0.024 0.000 2.652 329 T HA -0.148 4.202 4.350 -0.001 0.000 0.267 329 T C 2.472 177.200 174.700 0.046 0.000 1.039 329 T CA 2.224 64.329 62.100 0.008 0.000 1.153 329 T CB -0.213 68.622 68.868 -0.055 0.000 0.863 329 T HN 0.525 nan 8.240 nan 0.000 0.428 330 Q N 0.756 120.566 119.800 0.017 0.000 2.079 330 Q HA -0.064 4.276 4.340 -0.001 0.000 0.200 330 Q C 2.369 178.380 176.000 0.018 0.000 0.974 330 Q CA 1.322 57.135 55.803 0.016 0.000 0.840 330 Q CB -0.372 28.369 28.738 0.004 0.000 0.898 330 Q HN 0.591 nan 8.270 nan 0.000 0.430 331 E N 0.997 121.207 120.200 0.017 0.000 2.077 331 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 331 E C 1.676 178.287 176.600 0.018 0.000 0.989 331 E CA 1.272 57.680 56.400 0.014 0.000 0.800 331 E CB -0.086 29.621 29.700 0.011 0.000 0.746 331 E HN 0.294 nan 8.360 nan 0.000 0.452 332 D N 0.155 120.580 120.400 0.041 0.000 2.097 332 D HA -0.109 4.531 4.640 -0.001 0.000 0.197 332 D C 1.902 178.202 176.300 -0.001 0.000 0.984 332 D CA 1.488 55.511 54.000 0.038 0.000 0.826 332 D CB -0.425 40.446 40.800 0.119 0.000 0.973 332 D HN 0.205 nan 8.370 nan 0.000 0.460 333 A N 1.071 123.904 122.820 0.022 0.000 1.908 333 A HA -0.086 4.234 4.320 -0.001 0.000 0.218 333 A C 2.306 179.879 177.584 -0.019 0.000 1.181 333 A CA 2.399 54.435 52.037 -0.002 0.000 0.627 333 A CB -0.729 18.283 19.000 0.021 0.000 0.818 333 A HN 0.246 nan 8.150 nan 0.000 0.445 334 A N -0.318 122.497 122.820 -0.007 0.000 1.898 334 A HA 0.223 4.543 4.320 -0.001 0.000 0.216 334 A C 2.499 180.075 177.584 -0.013 0.000 1.181 334 A CA 1.932 53.965 52.037 -0.008 0.000 0.620 334 A CB -0.970 18.029 19.000 -0.002 0.000 0.819 334 A HN 1.038 nan 8.150 nan 0.000 0.442 335 A N -0.415 122.394 122.820 -0.017 0.000 1.902 335 A HA -0.037 4.283 4.320 -0.001 0.000 0.217 335 A C 2.189 179.753 177.584 -0.034 0.000 1.181 335 A CA 1.416 53.444 52.037 -0.016 0.000 0.623 335 A CB -0.573 18.417 19.000 -0.015 0.000 0.818 335 A HN 0.499 nan 8.150 nan 0.000 0.443 336 L N -1.309 119.848 121.223 -0.110 0.000 2.046 336 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 336 L C 2.800 179.640 176.870 -0.049 0.000 1.077 336 L CA 1.657 56.362 54.840 -0.226 0.000 0.747 336 L CB -0.280 41.566 42.059 -0.355 0.000 0.896 336 L HN 0.372 nan 8.230 nan 0.000 0.432 337 R N -0.510 119.974 120.500 -0.027 0.000 2.081 337 R HA -0.152 4.188 4.340 -0.001 0.000 0.235 337 R C 2.293 178.605 176.300 0.020 0.000 1.131 337 R CA 1.596 57.700 56.100 0.007 0.000 0.960 337 R CB -0.390 29.908 30.300 -0.004 0.000 0.856 337 R HN 0.471 nan 8.270 nan 0.000 0.436 338 A N -0.193 122.637 122.820 0.016 0.000 1.930 338 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 338 A C 1.999 179.587 177.584 0.006 0.000 1.175 338 A CA 1.236 53.275 52.037 0.003 0.000 0.627 338 A CB -0.740 18.264 19.000 0.006 0.000 0.815 338 A HN 0.467 nan 8.150 nan 0.000 0.443 339 F N 1.385 121.272 119.950 -0.105 0.000 2.095 339 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 339 F C 2.390 178.116 175.800 -0.124 0.000 1.104 339 F CA 2.389 60.317 58.000 -0.120 0.000 1.232 339 F CB -0.661 38.252 39.000 -0.145 0.000 0.987 339 F HN 0.193 nan 8.300 nan 0.000 0.475 340 T N 0.336 114.922 114.554 0.054 0.000 2.788 340 T HA -0.158 4.191 4.350 -0.001 0.000 0.268 340 T C 1.714 176.360 174.700 -0.090 0.000 1.044 340 T CA 1.540 63.664 62.100 0.039 0.000 1.139 340 T CB -0.238 68.759 68.868 0.215 0.000 0.867 340 T HN 0.282 nan 8.240 nan 0.000 0.454 341 E N 1.117 121.258 120.200 -0.098 0.000 2.152 341 E HA 0.046 4.396 4.350 -0.001 0.000 0.192 341 E C 2.500 178.958 176.600 -0.237 0.000 0.983 341 E CA 0.905 57.231 56.400 -0.123 0.000 0.818 341 E CB -0.430 29.218 29.700 -0.087 0.000 0.758 341 E HN 0.516 nan 8.360 nan 0.000 0.467 342 A N 1.312 123.932 122.820 -0.333 0.000 1.873 342 A HA -0.135 4.185 4.320 -0.001 0.000 0.215 342 A C 2.203 179.352 177.584 -0.725 0.000 1.186 342 A CA 1.277 52.988 52.037 -0.542 0.000 0.616 342 A CB -0.325 18.388 19.000 -0.477 0.000 0.823 342 A HN 0.104 nan 8.150 nan 0.000 0.442 343 M N -0.186 119.064 119.600 -0.583 0.000 2.159 343 M HA -0.108 4.372 4.480 -0.001 0.000 0.263 343 M C 2.144 178.348 176.300 -0.161 0.000 1.063 343 M CA 1.929 57.004 55.300 -0.376 0.000 1.110 343 M CB -1.851 30.421 32.600 -0.546 0.000 1.374 343 M HN 0.448 nan 8.290 nan 0.000 0.411 344 T N 0.055 114.516 114.554 -0.154 0.000 2.746 344 T HA -0.109 4.240 4.350 -0.001 0.000 0.267 344 T C 1.974 176.620 174.700 -0.089 0.000 1.039 344 T CA 1.109 63.167 62.100 -0.071 0.000 1.142 344 T CB -0.178 68.655 68.868 -0.058 0.000 0.866 344 T HN 0.385 nan 8.240 nan 0.000 0.444 345 R N -0.043 120.345 120.500 -0.186 0.000 2.115 345 R HA -0.040 4.299 4.340 -0.001 0.000 0.230 345 R C 1.662 177.935 176.300 -0.044 0.000 1.111 345 R CA 1.031 57.036 56.100 -0.158 0.000 0.976 345 R CB -0.239 29.908 30.300 -0.255 0.000 0.870 345 R HN 0.419 nan 8.270 nan 0.000 0.445 346 Y N 0.116 120.366 120.300 -0.084 0.000 2.529 346 Y HA 0.089 4.638 4.550 -0.001 0.000 0.290 346 Y C 0.818 176.675 175.900 -0.072 0.000 1.177 346 Y CA -0.333 57.712 58.100 -0.091 0.000 1.305 346 Y CB -0.216 38.221 38.460 -0.038 0.000 1.047 346 Y HN -0.055 nan 8.280 nan 0.000 0.522 347 S N -0.120 115.629 115.700 0.082 0.000 3.978 347 S HA -0.063 4.406 4.470 -0.001 0.000 0.402 347 S C -0.037 174.580 174.600 0.027 0.000 0.927 347 S CA 0.469 58.695 58.200 0.044 0.000 1.197 347 S CB -1.408 61.805 63.200 0.022 0.000 0.855 347 S HN 0.732 nan 8.310 nan 0.000 0.524 348 A N 2.005 124.861 122.820 0.060 0.000 3.339 348 A HA 0.534 4.854 4.320 -0.001 0.000 0.219 348 A C -2.291 175.406 177.584 0.189 0.000 0.974 348 A CA -0.475 51.627 52.037 0.108 0.000 1.050 348 A CB 0.796 19.892 19.000 0.160 0.000 1.271 348 A HN 0.462 nan 8.150 nan 0.000 0.565 349 P HA 0.236 nan 4.420 nan 0.000 0.269 349 P C -2.850 174.518 177.300 0.113 0.000 1.215 349 P CA -0.748 62.405 63.100 0.088 0.000 0.780 349 P CB 0.411 32.099 31.700 -0.020 0.000 0.898 350 P HA 0.100 nan 4.420 nan 0.000 0.278 350 P C 0.546 177.787 177.300 -0.097 0.000 1.238 350 P CA 0.083 63.116 63.100 -0.113 0.000 0.794 350 P CB 1.032 32.668 31.700 -0.108 0.000 0.955 351 G N 2.394 111.117 108.800 -0.127 0.000 2.682 351 G HA2 0.035 3.995 3.960 -0.001 0.000 0.221 351 G HA3 0.035 3.995 3.960 -0.001 0.000 0.221 351 G C -0.166 174.687 174.900 -0.077 0.000 1.386 351 G CA 0.070 45.127 45.100 -0.071 0.000 0.909 351 G HN 0.459 nan 8.290 nan 0.000 0.558 352 D N 2.096 122.444 120.400 -0.087 0.000 2.264 352 D HA 0.367 5.007 4.640 -0.001 0.000 0.250 352 D C -2.380 173.869 176.300 -0.085 0.000 1.113 352 D CA -1.091 52.870 54.000 -0.066 0.000 0.871 352 D CB 1.385 42.157 40.800 -0.048 0.000 1.167 352 D HN -0.010 nan 8.370 nan 0.000 0.447 353 P HA 0.102 nan 4.420 nan 0.000 0.264 353 P C -2.243 175.048 177.300 -0.015 0.000 1.193 353 P CA -0.781 62.301 63.100 -0.031 0.000 0.763 353 P CB -0.074 31.619 31.700 -0.013 0.000 0.810 354 P HA 0.095 nan 4.420 nan 0.000 0.271 354 P C -0.874 176.430 177.300 0.007 0.000 1.218 354 P CA 0.061 63.195 63.100 0.056 0.000 0.780 354 P CB 0.845 32.640 31.700 0.158 0.000 0.901 355 Q N 2.299 122.116 119.800 0.029 0.000 2.323 355 Q HA 0.402 4.742 4.340 -0.001 0.000 0.271 355 Q C -2.387 173.620 176.000 0.011 0.000 1.048 355 Q CA -1.939 53.868 55.803 0.008 0.000 0.792 355 Q CB 2.550 31.302 28.738 0.023 0.000 1.280 355 Q HN 0.422 nan 8.270 nan 0.000 0.441 356 P HA 0.192 nan 4.420 nan 0.000 0.275 356 P C -0.567 176.632 177.300 -0.168 0.000 1.227 356 P CA -0.144 62.895 63.100 -0.101 0.000 0.781 356 P CB 1.332 32.959 31.700 -0.122 0.000 0.906 357 E N 1.986 122.032 120.200 -0.257 0.000 2.266 357 E HA 0.230 4.580 4.350 -0.001 0.000 0.268 357 E C -0.610 175.784 176.600 -0.343 0.000 0.879 357 E CA -0.481 55.803 56.400 -0.192 0.000 0.762 357 E CB 1.550 31.232 29.700 -0.030 0.000 1.199 357 E HN 0.444 nan 8.360 nan 0.000 0.422 358 Y N -0.230 120.207 120.300 0.228 0.000 2.557 358 Y HA 0.180 4.729 4.550 -0.001 0.000 0.247 358 Y C 0.219 176.360 175.900 0.402 0.000 1.164 358 Y CA -0.383 57.908 58.100 0.318 0.000 1.218 358 Y CB 1.020 39.578 38.460 0.164 0.000 1.210 358 Y HN 0.234 nan 8.280 nan 0.000 0.529 359 D N 0.532 121.089 120.400 0.263 0.000 2.505 359 D HA 0.106 4.745 4.640 -0.001 0.000 0.250 359 D C 0.759 176.841 176.300 -0.364 0.000 1.164 359 D CA -0.320 53.700 54.000 0.033 0.000 0.870 359 D CB 1.651 42.471 40.800 0.034 0.000 1.160 359 D HN 0.131 nan 8.370 nan 0.000 0.549 360 L N 4.430 125.063 121.223 -0.983 0.000 2.089 360 L HA -0.152 4.187 4.340 -0.001 0.000 0.213 360 L C 1.567 178.083 176.870 -0.590 0.000 1.079 360 L CA 2.039 56.107 54.840 -1.287 0.000 0.758 360 L CB -0.291 40.771 42.059 -1.662 0.000 0.891 360 L HN 0.510 nan 8.230 nan 0.000 0.433 361 E N -0.800 119.169 120.200 -0.386 0.000 2.338 361 E HA -0.142 4.207 4.350 -0.001 0.000 0.197 361 E C 1.965 178.469 176.600 -0.159 0.000 1.007 361 E CA 0.771 57.036 56.400 -0.225 0.000 0.849 361 E CB -0.170 29.445 29.700 -0.141 0.000 0.774 361 E HN 0.550 nan 8.360 nan 0.000 0.506 362 L N 0.923 122.056 121.223 -0.151 0.000 2.591 362 L HA 0.160 4.500 4.340 -0.001 0.000 0.228 362 L C 0.644 177.463 176.870 -0.084 0.000 1.133 362 L CA -0.025 54.763 54.840 -0.086 0.000 0.880 362 L CB 0.120 42.153 42.059 -0.043 0.000 1.033 362 L HN 0.043 nan 8.230 nan 0.000 0.450 363 I N -0.091 120.400 120.570 -0.131 0.000 2.331 363 I HA 0.141 4.311 4.170 -0.001 0.000 0.292 363 I C -0.042 176.025 176.117 -0.082 0.000 0.998 363 I CA 0.046 61.286 61.300 -0.100 0.000 1.267 363 I CB 1.566 39.484 38.000 -0.137 0.000 1.386 363 I HN -0.118 nan 8.210 nan 0.000 0.476 364 T N 4.910 119.438 114.554 -0.043 0.000 2.772 364 T HA 0.427 4.776 4.350 -0.001 0.000 0.288 364 T C -0.273 174.419 174.700 -0.013 0.000 0.994 364 T CA -0.611 61.473 62.100 -0.026 0.000 0.951 364 T CB 0.938 69.799 68.868 -0.012 0.000 0.933 364 T HN 0.719 nan 8.240 nan 0.000 0.447 365 S N 0.942 116.634 115.700 -0.013 0.000 2.547 365 S HA 0.451 4.920 4.470 -0.001 0.000 0.281 365 S C 0.252 174.857 174.600 0.008 0.000 1.118 365 S CA -0.776 57.417 58.200 -0.010 0.000 0.947 365 S CB 0.802 63.980 63.200 -0.037 0.000 1.053 365 S HN 0.876 nan 8.310 nan 0.000 0.482 366 C N 2.066 121.373 119.300 0.011 0.000 4.365 366 C HA -0.180 4.279 4.460 -0.001 0.000 0.299 366 C C 1.324 176.373 174.990 0.099 0.000 1.409 366 C CA 0.790 59.830 59.018 0.037 0.000 2.007 366 C CB -3.205 24.538 27.740 0.005 0.000 1.264 366 C HN 1.633 nan 8.230 nan 0.000 0.777 367 S N -1.577 114.173 115.700 0.083 0.000 3.380 367 S HA -0.193 4.277 4.470 -0.001 0.000 0.300 367 S C 0.222 174.893 174.600 0.118 0.000 1.255 367 S CA 1.246 59.503 58.200 0.096 0.000 0.963 367 S CB -0.870 62.406 63.200 0.127 0.000 1.106 367 S HN 1.007 nan 8.310 nan 0.000 0.629 368 S N 1.732 117.498 115.700 0.111 0.000 2.632 368 S HA 0.755 5.224 4.470 -0.001 0.000 0.289 368 S C -0.458 174.165 174.600 0.037 0.000 1.115 368 S CA -0.940 57.339 58.200 0.132 0.000 0.889 368 S CB 1.759 65.092 63.200 0.222 0.000 1.116 368 S HN 0.584 nan 8.310 nan 0.000 0.486 369 N N -0.434 118.272 118.700 0.010 0.000 2.242 369 N HA 0.436 5.175 4.740 -0.001 0.000 0.292 369 N C -1.453 173.987 175.510 -0.118 0.000 1.125 369 N CA -0.568 52.442 53.050 -0.066 0.000 0.783 369 N CB 1.188 39.631 38.487 -0.074 0.000 1.558 369 N HN 0.316 nan 8.380 nan 0.000 0.472 370 V N 0.652 120.466 119.914 -0.167 0.000 2.614 370 V HA 0.384 4.504 4.120 -0.001 0.000 0.291 370 V C 0.547 176.513 176.094 -0.215 0.000 1.049 370 V CA 0.035 62.214 62.300 -0.202 0.000 1.038 370 V CB 0.888 32.577 31.823 -0.223 0.000 0.980 370 V HN 0.862 nan 8.190 nan 0.000 0.481 371 S N 3.093 118.602 115.700 -0.317 0.000 2.685 371 S HA 0.834 5.303 4.470 -0.001 0.000 0.282 371 S C -1.179 173.362 174.600 -0.098 0.000 1.159 371 S CA -0.514 57.537 58.200 -0.249 0.000 0.833 371 S CB 2.101 65.095 63.200 -0.343 0.000 1.151 371 S HN 0.426 nan 8.310 nan 0.000 0.485 372 V N 1.303 121.247 119.914 0.051 0.000 2.769 372 V HA 0.983 5.103 4.120 -0.001 0.000 0.312 372 V C 0.230 176.305 176.094 -0.032 0.000 1.061 372 V CA -0.177 62.105 62.300 -0.030 0.000 0.931 372 V CB 1.122 32.816 31.823 -0.215 0.000 1.010 372 V HN 1.158 nan 8.190 nan 0.000 0.433 373 A N 2.470 125.096 122.820 -0.323 0.000 2.533 373 A HA 0.899 5.219 4.320 -0.001 0.000 0.293 373 A C -1.328 175.753 177.584 -0.838 0.000 1.228 373 A CA -0.598 51.095 52.037 -0.574 0.000 0.689 373 A CB 1.849 20.326 19.000 -0.871 0.000 1.303 373 A HN 0.857 nan 8.150 nan 0.000 0.444 374 H N 0.169 118.895 119.070 -0.573 0.000 2.768 374 H HA 0.409 4.965 4.556 -0.000 0.000 0.371 374 H C -1.146 173.871 175.328 -0.519 0.000 1.151 374 H CA -0.324 55.423 56.048 -0.502 0.000 1.165 374 H CB 1.933 31.394 29.762 -0.501 0.000 1.722 374 H HN 0.920 nan 8.280 nan 0.000 0.543 375 D N 0.593 120.899 120.400 -0.157 0.000 2.478 375 D HA 0.258 4.897 4.640 -0.001 0.000 0.274 375 D C 1.405 177.785 176.300 0.134 0.000 1.234 375 D CA -0.363 53.611 54.000 -0.044 0.000 1.069 375 D CB 0.289 41.068 40.800 -0.034 0.000 1.113 375 D HN 0.437 nan 8.370 nan 0.000 0.571 376 A N -0.355 122.551 122.820 0.143 0.000 1.917 376 A HA -0.162 4.157 4.320 -0.001 0.000 0.219 376 A C 2.041 179.696 177.584 0.119 0.000 1.182 376 A CA 1.969 54.093 52.037 0.145 0.000 0.633 376 A CB -1.145 17.897 19.000 0.070 0.000 0.819 376 A HN 0.466 nan 8.150 nan 0.000 0.448 377 S N -1.315 114.431 115.700 0.076 0.000 2.660 377 S HA 0.323 4.792 4.470 -0.001 0.000 0.223 377 S C 1.496 176.132 174.600 0.059 0.000 0.963 377 S CA 0.933 59.164 58.200 0.052 0.000 0.932 377 S CB -0.286 62.933 63.200 0.032 0.000 0.775 377 S HN 1.639 nan 8.310 nan 0.000 0.531 378 G N 1.899 110.757 108.800 0.096 0.000 2.184 378 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.264 378 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.264 378 G C 0.147 175.114 174.900 0.111 0.000 0.975 378 G CA 0.514 45.658 45.100 0.073 0.000 0.642 378 G HN 0.560 nan 8.290 nan 0.000 0.536 379 K N 1.146 121.584 120.400 0.063 0.000 2.401 379 K HA 0.354 4.674 4.320 -0.001 0.000 0.278 379 K C 0.897 177.471 176.600 -0.043 0.000 1.018 379 K CA -0.558 55.746 56.287 0.029 0.000 0.981 379 K CB 0.257 32.753 32.500 -0.007 0.000 0.933 379 K HN 0.342 nan 8.250 nan 0.000 0.477 380 R N 2.055 122.486 120.500 -0.115 0.000 2.537 380 R HA 0.117 4.457 4.340 -0.001 0.000 0.280 380 R C -0.617 175.432 176.300 -0.418 0.000 1.058 380 R CA -0.195 55.653 56.100 -0.420 0.000 1.057 380 R CB 1.018 31.077 30.300 -0.401 0.000 0.973 380 R HN 0.373 nan 8.270 nan 0.000 0.438 381 V N 5.133 124.738 119.914 -0.516 0.000 2.668 381 V HA 0.326 4.446 4.120 -0.001 0.000 0.304 381 V C -1.474 174.440 176.094 -0.299 0.000 1.071 381 V CA -0.773 61.322 62.300 -0.343 0.000 0.894 381 V CB 1.333 33.026 31.823 -0.217 0.000 1.008 381 V HN 0.601 nan 8.190 nan 0.000 0.425 382 Y N 7.433 127.722 120.300 -0.019 0.000 2.299 382 Y HA 0.689 5.239 4.550 -0.000 0.000 0.326 382 Y C 0.103 176.080 175.900 0.129 0.000 1.164 382 Y CA 0.138 58.252 58.100 0.022 0.000 1.234 382 Y CB 1.186 39.612 38.460 -0.056 0.000 1.219 382 Y HN 0.807 nan 8.280 nan 0.000 0.497 383 Y N -0.241 120.108 120.300 0.083 0.000 2.670 383 Y HA 0.708 5.258 4.550 -0.000 0.000 0.334 383 Y C -2.301 173.646 175.900 0.078 0.000 1.185 383 Y CA -2.125 56.006 58.100 0.051 0.000 1.053 383 Y CB 0.515 38.977 38.460 0.003 0.000 1.298 383 Y HN 0.386 nan 8.280 nan 0.000 0.459 384 L N 1.942 123.189 121.223 0.040 0.000 2.289 384 L HA 0.764 5.104 4.340 -0.001 0.000 0.285 384 L C 0.202 177.192 176.870 0.201 0.000 1.049 384 L CA 0.330 55.185 54.840 0.026 0.000 0.804 384 L CB 1.406 43.518 42.059 0.088 0.000 1.195 384 L HN 1.040 nan 8.230 nan 0.000 0.428 385 T N 3.878 118.520 114.554 0.148 0.000 2.696 385 T HA 0.902 5.252 4.350 -0.001 0.000 0.291 385 T C -1.285 173.531 174.700 0.192 0.000 1.095 385 T CA -0.586 61.696 62.100 0.304 0.000 1.026 385 T CB 1.305 70.299 68.868 0.209 0.000 1.390 385 T HN 0.780 nan 8.240 nan 0.000 0.513 386 R N 0.396 120.958 120.500 0.103 0.000 2.752 386 R HA 0.416 4.756 4.340 -0.001 0.000 0.277 386 R C -1.710 174.412 176.300 -0.297 0.000 1.024 386 R CA -0.998 55.043 56.100 -0.098 0.000 0.866 386 R CB 0.241 30.448 30.300 -0.156 0.000 1.278 386 R HN 0.523 nan 8.270 nan 0.000 0.473 387 D N 2.139 122.372 120.400 -0.279 0.000 2.401 387 D HA 0.063 4.703 4.640 -0.001 0.000 0.254 387 D C -1.323 174.629 176.300 -0.579 0.000 1.192 387 D CA -1.368 52.426 54.000 -0.344 0.000 0.885 387 D CB 1.254 41.934 40.800 -0.200 0.000 1.147 387 D HN 0.346 nan 8.370 nan 0.000 0.478 388 P HA -0.027 nan 4.420 nan 0.000 0.245 388 P C 1.108 178.095 177.300 -0.523 0.000 1.212 388 P CA 0.160 62.608 63.100 -1.086 0.000 0.774 388 P CB 0.305 31.177 31.700 -1.380 0.000 0.999 389 T N 0.097 114.454 114.554 -0.328 0.000 2.607 389 T HA -0.144 4.205 4.350 -0.001 0.000 0.267 389 T C 1.795 176.429 174.700 -0.109 0.000 1.049 389 T CA 2.491 64.492 62.100 -0.164 0.000 1.162 389 T CB -1.115 67.699 68.868 -0.091 0.000 0.863 389 T HN 0.221 nan 8.240 nan 0.000 0.424 390 T N 2.168 116.664 114.554 -0.096 0.000 2.737 390 T HA -0.046 4.303 4.350 -0.001 0.000 0.265 390 T C -0.513 174.146 174.700 -0.069 0.000 1.038 390 T CA 1.186 63.257 62.100 -0.049 0.000 1.144 390 T CB -1.260 67.612 68.868 0.007 0.000 0.866 390 T HN 0.322 nan 8.240 nan 0.000 0.434 391 P HA -0.028 nan 4.420 nan 0.000 0.216 391 P C 1.489 178.825 177.300 0.060 0.000 1.153 391 P CA 0.979 64.079 63.100 -0.000 0.000 0.858 391 P CB -0.191 31.472 31.700 -0.062 0.000 0.789 392 L N -1.520 119.688 121.223 -0.025 0.000 2.093 392 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 392 L C 2.471 179.374 176.870 0.055 0.000 1.085 392 L CA 1.384 56.233 54.840 0.015 0.000 0.755 392 L CB -1.146 40.877 42.059 -0.060 0.000 0.904 392 L HN -0.055 nan 8.230 nan 0.000 0.435 393 A N 0.377 123.218 122.820 0.034 0.000 1.902 393 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 393 A C 2.389 180.044 177.584 0.119 0.000 1.181 393 A CA 1.543 53.621 52.037 0.069 0.000 0.623 393 A CB -0.451 18.563 19.000 0.023 0.000 0.818 393 A HN 0.325 nan 8.150 nan 0.000 0.443 394 R N -0.610 119.936 120.500 0.076 0.000 2.092 394 R HA 0.000 4.340 4.340 -0.001 0.000 0.231 394 R C 2.455 178.937 176.300 0.303 0.000 1.119 394 R CA 1.022 57.196 56.100 0.122 0.000 0.970 394 R CB -0.432 29.880 30.300 0.020 0.000 0.864 394 R HN 0.509 nan 8.270 nan 0.000 0.440 395 A N 1.420 124.434 122.820 0.323 0.000 1.902 395 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 395 A C 2.374 180.197 177.584 0.398 0.000 1.181 395 A CA 1.708 54.041 52.037 0.493 0.000 0.623 395 A CB -0.595 18.691 19.000 0.476 0.000 0.818 395 A HN 0.385 nan 8.150 nan 0.000 0.443 396 A N -1.345 121.618 122.820 0.238 0.000 1.898 396 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 396 A C 2.102 179.835 177.584 0.248 0.000 1.181 396 A CA 1.369 53.509 52.037 0.171 0.000 0.620 396 A CB -0.859 18.221 19.000 0.132 0.000 0.819 396 A HN 0.847 nan 8.150 nan 0.000 0.442 397 W N 1.162 122.535 121.300 0.122 0.000 2.355 397 W HA -0.152 4.508 4.660 -0.000 0.000 0.309 397 W C 1.502 178.115 176.519 0.157 0.000 1.206 397 W CA 1.934 59.346 57.345 0.112 0.000 1.284 397 W CB -0.321 29.181 29.460 0.070 0.000 1.145 397 W HN 0.546 nan 8.180 nan 0.000 0.502 398 E N -0.696 119.807 120.200 0.506 0.000 2.418 398 E HA -0.119 4.231 4.350 -0.001 0.000 0.197 398 E C 1.930 178.763 176.600 0.388 0.000 1.026 398 E CA 1.389 58.069 56.400 0.467 0.000 0.862 398 E CB -0.031 30.012 29.700 0.571 0.000 0.799 398 E HN 0.114 nan 8.360 nan 0.000 0.518 399 T N 0.069 114.814 114.554 0.318 0.000 2.976 399 T HA 0.047 4.397 4.350 -0.001 0.000 0.257 399 T C 1.909 176.661 174.700 0.087 0.000 1.051 399 T CA 0.868 63.108 62.100 0.233 0.000 1.141 399 T CB 0.108 69.113 68.868 0.228 0.000 0.881 399 T HN 0.211 nan 8.240 nan 0.000 0.461 400 A N 1.313 124.137 122.820 0.007 0.000 1.975 400 A HA 0.215 4.535 4.320 -0.001 0.000 0.215 400 A C 1.171 178.657 177.584 -0.164 0.000 1.170 400 A CA 0.495 52.468 52.037 -0.106 0.000 0.656 400 A CB 0.082 18.976 19.000 -0.176 0.000 0.821 400 A HN 0.327 nan 8.150 nan 0.000 0.449 401 R N -0.419 119.969 120.500 -0.187 0.000 2.534 401 R HA 0.371 4.710 4.340 -0.001 0.000 0.301 401 R C -1.180 175.179 176.300 0.098 0.000 0.961 401 R CA -0.535 55.481 56.100 -0.141 0.000 0.871 401 R CB 1.262 31.347 30.300 -0.358 0.000 1.170 401 R HN 0.506 nan 8.270 nan 0.000 0.446 402 H N 1.848 120.931 119.070 0.021 0.000 2.975 402 H HA 0.041 4.597 4.556 -0.000 0.000 0.303 402 H C 0.078 175.460 175.328 0.090 0.000 1.023 402 H CA 0.157 56.246 56.048 0.069 0.000 1.473 402 H CB 0.733 30.522 29.762 0.046 0.000 1.498 402 H HN 0.550 nan 8.280 nan 0.000 0.549 403 T N 1.553 116.223 114.554 0.193 0.000 2.918 403 T HA 0.206 4.555 4.350 -0.001 0.000 0.286 403 T C -1.738 172.957 174.700 -0.009 0.000 1.026 403 T CA -2.008 60.170 62.100 0.130 0.000 1.031 403 T CB 1.939 70.932 68.868 0.209 0.000 1.046 403 T HN 0.330 nan 8.240 nan 0.000 0.479 404 P HA 0.120 nan 4.420 nan 0.000 0.215 404 P C 0.077 177.295 177.300 -0.137 0.000 1.157 404 P CA 0.639 63.646 63.100 -0.154 0.000 0.863 404 P CB 0.106 31.712 31.700 -0.156 0.000 0.787 405 I N 0.247 120.765 120.570 -0.086 0.000 2.392 405 I HA 0.144 4.314 4.170 -0.001 0.000 0.295 405 I C 0.104 176.164 176.117 -0.095 0.000 0.985 405 I CA -0.692 60.550 61.300 -0.097 0.000 1.221 405 I CB 0.808 38.761 38.000 -0.078 0.000 1.366 405 I HN -0.054 nan 8.210 nan 0.000 0.467 406 N N 4.450 123.028 118.700 -0.205 0.000 2.817 406 N HA 0.058 4.798 4.740 -0.001 0.000 0.234 406 N C 1.207 176.445 175.510 -0.453 0.000 1.066 406 N CA -0.041 52.785 53.050 -0.372 0.000 0.926 406 N CB 1.227 39.290 38.487 -0.706 0.000 1.176 406 N HN 0.616 nan 8.380 nan 0.000 0.506 407 S N 1.339 116.935 115.700 -0.174 0.000 2.400 407 S HA -0.135 4.335 4.470 -0.001 0.000 0.232 407 S C 1.825 176.386 174.600 -0.065 0.000 1.025 407 S CA 0.336 58.485 58.200 -0.085 0.000 0.993 407 S CB -0.458 62.754 63.200 0.020 0.000 0.808 407 S HN 0.776 nan 8.310 nan 0.000 0.478 408 W N 1.201 122.476 121.300 -0.042 0.000 2.374 408 W HA -0.009 4.651 4.660 -0.000 0.000 0.288 408 W C 1.652 178.107 176.519 -0.107 0.000 1.218 408 W CA 0.439 57.740 57.345 -0.074 0.000 1.245 408 W CB -0.944 28.303 29.460 -0.355 0.000 1.126 408 W HN 0.362 nan 8.180 nan 0.000 0.545 409 L N 2.811 123.393 121.223 -1.067 0.000 2.109 409 L HA 0.209 4.548 4.340 -0.001 0.000 0.207 409 L C 2.584 179.268 176.870 -0.310 0.000 1.086 409 L CA 2.625 56.912 54.840 -0.923 0.000 0.760 409 L CB -1.329 39.951 42.059 -1.298 0.000 0.910 409 L HN 0.020 nan 8.230 nan 0.000 0.437 410 G N -0.730 107.924 108.800 -0.243 0.000 2.408 410 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.217 410 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.217 410 G C 1.432 176.368 174.900 0.061 0.000 1.150 410 G CA 0.607 45.660 45.100 -0.077 0.000 0.776 410 G HN 0.430 nan 8.290 nan 0.000 0.542 411 N N 0.600 119.391 118.700 0.151 0.000 2.216 411 N HA 0.005 4.745 4.740 -0.001 0.000 0.183 411 N C 2.225 177.891 175.510 0.259 0.000 1.017 411 N CA 0.518 53.776 53.050 0.348 0.000 0.861 411 N CB -0.085 38.675 38.487 0.455 0.000 0.986 411 N HN 0.308 nan 8.380 nan 0.000 0.428 412 I N 1.157 121.843 120.570 0.192 0.000 2.226 412 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 412 I C 2.067 178.241 176.117 0.095 0.000 1.100 412 I CA 0.952 62.342 61.300 0.150 0.000 1.374 412 I CB -0.177 37.975 38.000 0.255 0.000 1.057 412 I HN 0.043 nan 8.210 nan 0.000 0.413 413 I N 0.046 120.680 120.570 0.105 0.000 2.179 413 I HA -0.301 3.869 4.170 -0.001 0.000 0.242 413 I C 2.498 178.715 176.117 0.166 0.000 1.088 413 I CA 1.268 62.648 61.300 0.133 0.000 1.357 413 I CB -0.236 37.837 38.000 0.121 0.000 1.051 413 I HN 0.227 nan 8.210 nan 0.000 0.409 414 M N -0.774 118.863 119.600 0.062 0.000 2.349 414 M HA -0.099 4.381 4.480 -0.001 0.000 0.266 414 M C 1.081 177.191 176.300 -0.317 0.000 1.076 414 M CA 1.640 56.873 55.300 -0.113 0.000 1.126 414 M CB -0.713 31.724 32.600 -0.271 0.000 1.392 414 M HN 0.206 nan 8.290 nan 0.000 0.440 415 Y N -0.637 119.656 120.300 -0.012 0.000 2.696 415 Y HA 0.477 5.027 4.550 -0.001 0.000 0.260 415 Y C 1.851 177.502 175.900 -0.416 0.000 1.165 415 Y CA -0.271 57.711 58.100 -0.197 0.000 1.189 415 Y CB -0.801 37.473 38.460 -0.310 0.000 1.180 415 Y HN 0.161 nan 8.280 nan 0.000 0.538 416 A N 1.009 123.627 122.820 -0.337 0.000 1.971 416 A HA -0.209 4.111 4.320 -0.001 0.000 0.222 416 A C -0.392 176.915 177.584 -0.463 0.000 1.182 416 A CA 1.974 53.773 52.037 -0.397 0.000 0.649 416 A CB -1.415 17.332 19.000 -0.420 0.000 0.818 416 A HN 0.297 nan 8.150 nan 0.000 0.458 417 P HA 0.001 nan 4.420 nan 0.000 0.225 417 P C 0.781 177.862 177.300 -0.365 0.000 1.156 417 P CA 1.307 64.147 63.100 -0.432 0.000 0.787 417 P CB -0.386 31.091 31.700 -0.371 0.000 0.802 418 T N -2.321 112.046 114.554 -0.311 0.000 2.900 418 T HA 0.047 4.396 4.350 -0.001 0.000 0.307 418 T C 1.157 175.504 174.700 -0.589 0.000 1.065 418 T CA -0.537 61.352 62.100 -0.351 0.000 1.105 418 T CB 0.450 68.871 68.868 -0.746 0.000 0.979 418 T HN -0.179 nan 8.240 nan 0.000 0.544 419 L N 2.609 123.425 121.223 -0.679 0.000 2.012 419 L HA 0.005 4.345 4.340 -0.001 0.000 0.210 419 L C 2.435 178.999 176.870 -0.511 0.000 1.073 419 L CA 1.799 56.151 54.840 -0.812 0.000 0.748 419 L CB -0.897 40.584 42.059 -0.965 0.000 0.891 419 L HN 0.934 nan 8.230 nan 0.000 0.431 420 W N -0.832 120.263 121.300 -0.343 0.000 2.388 420 W HA 0.043 4.703 4.660 -0.001 0.000 0.294 420 W C 2.009 178.383 176.519 -0.241 0.000 1.212 420 W CA 0.833 58.002 57.345 -0.294 0.000 1.271 420 W CB -1.443 27.879 29.460 -0.230 0.000 1.126 420 W HN 0.324 nan 8.180 nan 0.000 0.535 421 A N 1.742 124.137 122.820 -0.709 0.000 1.929 421 A HA -0.091 4.229 4.320 -0.001 0.000 0.216 421 A C 2.257 179.690 177.584 -0.252 0.000 1.176 421 A CA 1.483 53.249 52.037 -0.451 0.000 0.628 421 A CB -0.665 17.926 19.000 -0.682 0.000 0.816 421 A HN 0.294 nan 8.150 nan 0.000 0.444 422 R N -1.032 119.236 120.500 -0.388 0.000 2.062 422 R HA 0.086 4.426 4.340 -0.001 0.000 0.229 422 R C 2.197 178.297 176.300 -0.332 0.000 1.128 422 R CA 1.632 57.514 56.100 -0.364 0.000 0.960 422 R CB -0.327 29.624 30.300 -0.582 0.000 0.855 422 R HN 0.487 nan 8.270 nan 0.000 0.432 423 M N -0.212 119.047 119.600 -0.570 0.000 2.288 423 M HA 0.002 4.482 4.480 -0.001 0.000 0.266 423 M C 1.888 178.132 176.300 -0.093 0.000 1.072 423 M CA 1.408 56.452 55.300 -0.427 0.000 1.132 423 M CB 0.173 32.428 32.600 -0.575 0.000 1.386 423 M HN 0.125 nan 8.290 nan 0.000 0.432 424 I N -0.773 119.590 120.570 -0.345 0.000 2.962 424 I HA -0.090 4.079 4.170 -0.001 0.000 0.246 424 I C 2.079 178.022 176.117 -0.291 0.000 1.091 424 I CA 0.368 61.208 61.300 -0.767 0.000 1.469 424 I CB -0.339 37.108 38.000 -0.922 0.000 1.324 424 I HN 0.136 nan 8.210 nan 0.000 0.461 425 L N 0.473 121.691 121.223 -0.007 0.000 1.989 425 L HA -0.234 4.105 4.340 -0.001 0.000 0.211 425 L C 2.743 179.902 176.870 0.483 0.000 1.071 425 L CA 1.728 56.759 54.840 0.319 0.000 0.749 425 L CB -0.531 41.773 42.059 0.407 0.000 0.890 425 L HN 0.281 nan 8.230 nan 0.000 0.431 426 M N -0.854 118.992 119.600 0.411 0.000 2.080 426 M HA -0.198 4.282 4.480 -0.001 0.000 0.260 426 M C 2.345 179.140 176.300 0.826 0.000 1.068 426 M CA 2.129 57.776 55.300 0.579 0.000 1.109 426 M CB -0.708 32.011 32.600 0.199 0.000 1.342 426 M HN 0.286 nan 8.290 nan 0.000 0.405 427 T N -1.298 113.713 114.554 0.761 0.000 2.674 427 T HA -0.229 4.121 4.350 -0.001 0.000 0.265 427 T C 1.650 176.666 174.700 0.526 0.000 1.039 427 T CA 1.953 64.512 62.100 0.764 0.000 1.150 427 T CB -0.567 68.781 68.868 0.801 0.000 0.864 427 T HN 0.470 nan 8.240 nan 0.000 0.427 428 H N 0.439 119.692 119.070 0.306 0.000 2.319 428 H HA -0.043 4.512 4.556 -0.001 0.000 0.299 428 H C 1.779 176.976 175.328 -0.218 0.000 1.092 428 H CA 1.667 57.745 56.048 0.051 0.000 1.302 428 H CB -0.519 29.099 29.762 -0.240 0.000 1.373 428 H HN 0.359 nan 8.280 nan 0.000 0.497 429 F N -1.153 118.732 119.950 -0.109 0.000 2.234 429 F HA 0.010 4.537 4.527 -0.000 0.000 0.296 429 F C 2.029 177.690 175.800 -0.231 0.000 1.089 429 F CA 0.561 58.303 58.000 -0.430 0.000 1.343 429 F CB -0.604 37.884 39.000 -0.855 0.000 1.040 429 F HN 0.133 nan 8.300 nan 0.000 0.498 430 F N -0.374 119.698 119.950 0.202 0.000 2.234 430 F HA -0.189 4.338 4.527 -0.001 0.000 0.299 430 F C 2.747 178.589 175.800 0.069 0.000 1.087 430 F CA 1.475 59.596 58.000 0.201 0.000 1.340 430 F CB -0.907 38.305 39.000 0.352 0.000 1.031 430 F HN -0.065 nan 8.300 nan 0.000 0.500 431 S N 0.525 116.321 115.700 0.161 0.000 2.356 431 S HA -0.186 4.284 4.470 -0.001 0.000 0.223 431 S C 2.122 176.699 174.600 -0.037 0.000 1.032 431 S CA 1.565 59.787 58.200 0.036 0.000 1.005 431 S CB -0.484 62.721 63.200 0.010 0.000 0.867 431 S HN 0.347 nan 8.310 nan 0.000 0.449 432 I N 1.193 121.678 120.570 -0.141 0.000 2.315 432 I HA -0.131 4.039 4.170 -0.001 0.000 0.248 432 I C 2.218 178.298 176.117 -0.062 0.000 1.117 432 I CA 0.930 62.141 61.300 -0.149 0.000 1.404 432 I CB -0.337 37.496 38.000 -0.279 0.000 1.071 432 I HN 0.318 nan 8.210 nan 0.000 0.419 433 L N 0.119 121.313 121.223 -0.047 0.000 2.093 433 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 433 L C 2.532 179.416 176.870 0.023 0.000 1.085 433 L CA 1.214 56.045 54.840 -0.014 0.000 0.755 433 L CB -0.435 41.576 42.059 -0.080 0.000 0.904 433 L HN 0.272 nan 8.230 nan 0.000 0.435 434 L N -0.328 120.922 121.223 0.046 0.000 2.017 434 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 434 L C 2.876 179.762 176.870 0.027 0.000 1.073 434 L CA 1.273 56.148 54.840 0.058 0.000 0.745 434 L CB -0.616 41.484 42.059 0.069 0.000 0.894 434 L HN 0.224 nan 8.230 nan 0.000 0.432 435 A N -0.574 122.250 122.820 0.007 0.000 1.933 435 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 435 A C 2.032 179.616 177.584 0.001 0.000 1.175 435 A CA 1.521 53.555 52.037 -0.004 0.000 0.628 435 A CB -0.362 18.625 19.000 -0.022 0.000 0.814 435 A HN 0.575 nan 8.150 nan 0.000 0.444 436 Q N -0.930 118.873 119.800 0.005 0.000 2.319 436 Q HA 0.149 4.489 4.340 -0.001 0.000 0.202 436 Q C -0.803 175.213 176.000 0.026 0.000 0.896 436 Q CA 0.106 55.917 55.803 0.013 0.000 0.942 436 Q CB 0.228 28.976 28.738 0.017 0.000 1.083 436 Q HN 0.695 nan 8.270 nan 0.000 0.510 437 E N 1.021 121.239 120.200 0.029 0.000 2.228 437 E HA -0.255 4.095 4.350 -0.001 0.000 0.213 437 E C -0.430 176.197 176.600 0.045 0.000 1.282 437 E CA 0.319 56.742 56.400 0.038 0.000 0.707 437 E CB -1.000 28.720 29.700 0.032 0.000 1.150 437 E HN 0.498 nan 8.360 nan 0.000 0.362 438 Q N -0.328 119.501 119.800 0.049 0.000 2.141 438 Q HA 0.214 4.554 4.340 -0.001 0.000 0.248 438 Q C 1.459 177.492 176.000 0.056 0.000 0.834 438 Q CA -0.252 55.585 55.803 0.057 0.000 1.096 438 Q CB 0.521 29.301 28.738 0.070 0.000 1.189 438 Q HN 0.376 nan 8.270 nan 0.000 0.471 439 L N 0.341 121.599 121.223 0.058 0.000 2.191 439 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 439 L C 1.661 178.578 176.870 0.078 0.000 1.103 439 L CA 1.442 56.322 54.840 0.067 0.000 0.769 439 L CB 0.025 42.155 42.059 0.119 0.000 0.908 439 L HN 0.326 nan 8.230 nan 0.000 0.438 440 E N -0.533 119.710 120.200 0.072 0.000 2.452 440 E HA -0.018 4.332 4.350 -0.001 0.000 0.197 440 E C 0.627 177.264 176.600 0.061 0.000 1.022 440 E CA -0.144 56.297 56.400 0.069 0.000 0.890 440 E CB 0.369 30.105 29.700 0.061 0.000 0.918 440 E HN 0.231 nan 8.360 nan 0.000 0.496 441 K N 1.973 122.409 120.400 0.060 0.000 2.379 441 K HA 0.259 4.579 4.320 -0.001 0.000 0.284 441 K C -0.438 176.194 176.600 0.054 0.000 1.044 441 K CA -0.244 56.077 56.287 0.057 0.000 0.974 441 K CB 0.729 33.266 32.500 0.062 0.000 0.962 441 K HN -0.095 nan 8.250 nan 0.000 0.474 442 A N 4.990 127.838 122.820 0.047 0.000 2.371 442 A HA 0.443 4.763 4.320 -0.001 0.000 0.257 442 A C -0.566 177.029 177.584 0.019 0.000 1.089 442 A CA -0.423 51.637 52.037 0.038 0.000 0.794 442 A CB 0.242 19.270 19.000 0.046 0.000 1.029 442 A HN 0.752 nan 8.150 nan 0.000 0.488 443 L N 1.193 122.408 121.223 -0.013 0.000 2.371 443 L HA 0.420 4.760 4.340 -0.001 0.000 0.262 443 L C -0.939 175.879 176.870 -0.087 0.000 1.006 443 L CA -1.061 53.744 54.840 -0.058 0.000 0.818 443 L CB 2.162 44.164 42.059 -0.094 0.000 1.354 443 L HN 0.572 nan 8.230 nan 0.000 0.415 444 D N 0.964 121.306 120.400 -0.097 0.000 2.210 444 D HA 0.540 5.179 4.640 -0.001 0.000 0.249 444 D C -0.530 175.675 176.300 -0.158 0.000 1.062 444 D CA -0.017 53.930 54.000 -0.088 0.000 0.891 444 D CB 1.928 42.700 40.800 -0.047 0.000 1.186 444 D HN 0.651 nan 8.370 nan 0.000 0.432 445 C N 0.066 119.284 119.300 -0.136 0.000 3.318 445 C HA 0.634 5.094 4.460 -0.001 0.000 0.322 445 C C -1.219 173.725 174.990 -0.076 0.000 1.398 445 C CA -0.838 58.085 59.018 -0.159 0.000 1.339 445 C CB 1.497 29.094 27.740 -0.238 0.000 1.668 445 C HN 0.530 nan 8.230 nan 0.000 0.462 446 Q N 0.576 120.343 119.800 -0.054 0.000 2.342 446 Q HA 0.744 5.084 4.340 -0.001 0.000 0.267 446 Q C -1.287 174.730 176.000 0.028 0.000 1.038 446 Q CA -0.455 55.354 55.803 0.010 0.000 0.832 446 Q CB 2.480 31.226 28.738 0.013 0.000 1.323 446 Q HN 0.729 nan 8.270 nan 0.000 0.448 447 I N 2.856 123.476 120.570 0.084 0.000 2.468 447 I HA 0.179 4.349 4.170 -0.001 0.000 0.284 447 I C -1.079 175.137 176.117 0.166 0.000 1.038 447 I CA -0.784 60.507 61.300 -0.016 0.000 1.083 447 I CB 1.020 38.797 38.000 -0.372 0.000 1.223 447 I HN 0.671 nan 8.210 nan 0.000 0.443 448 Y N 5.194 125.586 120.300 0.152 0.000 3.389 448 Y HA -0.259 4.291 4.550 -0.000 0.000 0.213 448 Y C 1.441 177.360 175.900 0.031 0.000 1.272 448 Y CA 1.124 59.304 58.100 0.134 0.000 1.444 448 Y CB -1.910 36.646 38.460 0.159 0.000 1.445 448 Y HN 0.977 nan 8.280 nan 0.000 0.583 449 G N -2.088 106.837 108.800 0.208 0.000 2.320 449 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.242 449 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.242 449 G C 0.521 175.479 174.900 0.097 0.000 1.033 449 G CA 0.219 45.394 45.100 0.124 0.000 0.620 449 G HN 1.591 nan 8.290 nan 0.000 0.517 450 A N -0.232 122.662 122.820 0.124 0.000 2.354 450 A HA 0.600 4.919 4.320 -0.001 0.000 0.269 450 A C 0.777 178.237 177.584 -0.207 0.000 1.109 450 A CA 0.540 52.535 52.037 -0.071 0.000 0.800 450 A CB 0.756 19.709 19.000 -0.078 0.000 1.045 450 A HN 1.581 nan 8.150 nan 0.000 0.489 451 C N 2.740 121.843 119.300 -0.329 0.000 2.415 451 C HA 0.667 5.126 4.460 -0.001 0.000 0.369 451 C C -0.931 173.670 174.990 -0.649 0.000 1.279 451 C CA -0.325 58.521 59.018 -0.286 0.000 1.886 451 C CB -1.584 26.123 27.740 -0.055 0.000 2.468 451 C HN 0.630 nan 8.230 nan 0.000 0.553 452 Y N 3.255 123.349 120.300 -0.344 0.000 2.376 452 Y HA 0.394 4.944 4.550 -0.001 0.000 0.340 452 Y C 0.462 176.188 175.900 -0.291 0.000 0.965 452 Y CA -0.201 57.633 58.100 -0.444 0.000 1.078 452 Y CB 1.859 39.979 38.460 -0.566 0.000 1.193 452 Y HN 0.610 nan 8.280 nan 0.000 0.452 453 S N 4.997 120.623 115.700 -0.124 0.000 2.404 453 S HA 0.640 5.110 4.470 -0.001 0.000 0.309 453 S C -0.755 173.853 174.600 0.014 0.000 1.076 453 S CA -0.322 57.869 58.200 -0.015 0.000 1.095 453 S CB -0.610 62.621 63.200 0.051 0.000 0.972 453 S HN 0.534 nan 8.310 nan 0.000 0.484 454 I N 3.632 124.205 120.570 0.005 0.000 2.569 454 I HA 0.412 4.581 4.170 -0.001 0.000 0.296 454 I C -0.055 176.081 176.117 0.032 0.000 1.028 454 I CA -0.774 60.547 61.300 0.035 0.000 1.082 454 I CB 2.237 40.254 38.000 0.028 0.000 1.264 454 I HN 0.485 nan 8.210 nan 0.000 0.429 455 E N 6.059 126.297 120.200 0.064 0.000 2.146 455 E HA 0.215 4.564 4.350 -0.001 0.000 0.282 455 E C -1.815 174.840 176.600 0.092 0.000 0.989 455 E CA -1.612 54.830 56.400 0.069 0.000 0.799 455 E CB 1.594 31.338 29.700 0.074 0.000 1.088 455 E HN 0.300 nan 8.360 nan 0.000 0.397 456 P HA -0.216 nan 4.420 nan 0.000 0.217 456 P C 0.889 178.336 177.300 0.245 0.000 1.151 456 P CA 1.245 64.418 63.100 0.121 0.000 0.849 456 P CB 0.215 31.912 31.700 -0.004 0.000 0.787 457 L N -1.124 120.219 121.223 0.199 0.000 2.456 457 L HA -0.095 4.245 4.340 -0.001 0.000 0.224 457 L C 1.430 178.393 176.870 0.156 0.000 1.148 457 L CA 1.038 56.007 54.840 0.215 0.000 0.825 457 L CB -0.604 41.547 42.059 0.153 0.000 0.937 457 L HN 0.000 nan 8.230 nan 0.000 0.450 458 D N -0.267 120.214 120.400 0.136 0.000 2.349 458 D HA 0.013 4.653 4.640 -0.001 0.000 0.215 458 D C 2.294 178.657 176.300 0.105 0.000 1.016 458 D CA 0.287 54.343 54.000 0.093 0.000 0.870 458 D CB 0.394 41.243 40.800 0.082 0.000 0.917 458 D HN 0.303 nan 8.370 nan 0.000 0.524 459 L N 1.101 122.429 121.223 0.174 0.000 2.051 459 L HA -0.189 4.150 4.340 -0.001 0.000 0.214 459 L C -0.455 176.518 176.870 0.172 0.000 1.076 459 L CA 1.670 56.630 54.840 0.200 0.000 0.758 459 L CB -1.639 40.612 42.059 0.320 0.000 0.890 459 L HN 0.047 nan 8.230 nan 0.000 0.433 460 P HA -0.192 nan 4.420 nan 0.000 0.215 460 P C 1.377 178.722 177.300 0.074 0.000 1.157 460 P CA 1.285 64.409 63.100 0.040 0.000 0.868 460 P CB 0.054 31.622 31.700 -0.220 0.000 0.788 461 Q N -0.777 119.012 119.800 -0.018 0.000 2.046 461 Q HA -0.085 4.254 4.340 -0.001 0.000 0.200 461 Q C 2.207 178.190 176.000 -0.028 0.000 0.975 461 Q CA 1.283 57.062 55.803 -0.041 0.000 0.836 461 Q CB -1.112 27.584 28.738 -0.068 0.000 0.896 461 Q HN 0.245 nan 8.270 nan 0.000 0.428 462 I N 0.151 120.705 120.570 -0.028 0.000 2.163 462 I HA -0.298 3.872 4.170 -0.001 0.000 0.243 462 I C 2.041 178.146 176.117 -0.020 0.000 1.085 462 I CA 1.279 62.522 61.300 -0.095 0.000 1.347 462 I CB -0.328 37.655 38.000 -0.028 0.000 1.044 462 I HN 0.195 nan 8.210 nan 0.000 0.408 463 I N 0.271 120.904 120.570 0.105 0.000 2.226 463 I HA -0.290 3.879 4.170 -0.001 0.000 0.245 463 I C 2.633 178.776 176.117 0.043 0.000 1.100 463 I CA 1.417 62.797 61.300 0.133 0.000 1.374 463 I CB -0.434 37.659 38.000 0.156 0.000 1.057 463 I HN 0.315 nan 8.210 nan 0.000 0.413 464 E N 1.065 121.333 120.200 0.112 0.000 2.023 464 E HA -0.252 4.098 4.350 -0.001 0.000 0.196 464 E C 2.446 179.039 176.600 -0.011 0.000 1.003 464 E CA 1.177 57.625 56.400 0.080 0.000 0.809 464 E CB 0.075 29.878 29.700 0.172 0.000 0.755 464 E HN 0.229 nan 8.360 nan 0.000 0.449 465 R N 0.260 120.731 120.500 -0.048 0.000 2.096 465 R HA -0.143 4.197 4.340 -0.001 0.000 0.240 465 R C 2.481 178.701 176.300 -0.132 0.000 1.139 465 R CA 1.088 57.126 56.100 -0.103 0.000 0.952 465 R CB -0.744 29.454 30.300 -0.170 0.000 0.854 465 R HN 0.366 nan 8.270 nan 0.000 0.436 466 L N -1.008 120.119 121.223 -0.161 0.000 2.131 466 L HA -0.085 4.254 4.340 -0.001 0.000 0.206 466 L C 1.910 178.511 176.870 -0.449 0.000 1.087 466 L CA 1.052 55.719 54.840 -0.288 0.000 0.767 466 L CB -0.308 41.568 42.059 -0.305 0.000 0.917 466 L HN 0.285 nan 8.230 nan 0.000 0.441 467 H N -1.061 117.923 119.070 -0.144 0.000 3.058 467 H HA 0.295 4.850 4.556 -0.000 0.000 0.258 467 H C 0.868 176.101 175.328 -0.157 0.000 1.015 467 H CA 0.785 56.736 56.048 -0.162 0.000 1.210 467 H CB 1.256 30.891 29.762 -0.212 0.000 1.481 467 H HN 0.276 nan 8.280 nan 0.000 0.492 468 G N 0.932 109.708 108.800 -0.041 0.000 2.699 468 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.686 468 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.686 468 G C 0.616 175.468 174.900 -0.081 0.000 1.301 468 G CA -0.195 44.881 45.100 -0.040 0.000 0.816 468 G HN 0.196 nan 8.290 nan 0.000 0.595 469 L N 0.975 122.211 121.223 0.021 0.000 2.187 469 L HA -0.156 4.184 4.340 -0.001 0.000 0.213 469 L C 3.186 180.070 176.870 0.023 0.000 1.100 469 L CA 2.371 57.284 54.840 0.122 0.000 0.765 469 L CB -0.456 41.716 42.059 0.187 0.000 0.904 469 L HN 0.959 nan 8.230 nan 0.000 0.437 470 S N -0.340 115.333 115.700 -0.045 0.000 2.469 470 S HA -0.146 4.324 4.470 -0.001 0.000 0.238 470 S C 2.031 176.526 174.600 -0.174 0.000 0.998 470 S CA 0.766 58.920 58.200 -0.076 0.000 0.957 470 S CB -0.339 62.809 63.200 -0.086 0.000 0.764 470 S HN 0.390 nan 8.310 nan 0.000 0.514 471 A N 0.851 123.472 122.820 -0.333 0.000 2.015 471 A HA 0.199 4.519 4.320 -0.001 0.000 0.219 471 A C 1.475 178.813 177.584 -0.410 0.000 1.163 471 A CA 0.866 52.611 52.037 -0.486 0.000 0.646 471 A CB -0.749 17.825 19.000 -0.710 0.000 0.806 471 A HN 0.587 nan 8.150 nan 0.000 0.448 472 F N -0.138 119.819 119.950 0.012 0.000 2.765 472 F HA 0.127 4.654 4.527 -0.000 0.000 0.302 472 F C 1.933 177.769 175.800 0.061 0.000 1.111 472 F CA 1.067 59.099 58.000 0.054 0.000 1.359 472 F CB -0.118 38.941 39.000 0.098 0.000 1.097 472 F HN 0.280 nan 8.300 nan 0.000 0.577 473 T N -3.419 111.225 114.554 0.149 0.000 3.087 473 T HA 0.320 4.670 4.350 -0.001 0.000 0.283 473 T C 0.370 175.138 174.700 0.114 0.000 0.956 473 T CA -0.089 62.096 62.100 0.143 0.000 0.894 473 T CB -0.511 68.429 68.868 0.119 0.000 1.160 473 T HN -0.063 nan 8.240 nan 0.000 0.532 474 L N 3.188 124.390 121.223 -0.035 0.000 2.483 474 L HA 0.452 4.792 4.340 -0.001 0.000 0.276 474 L C 0.642 177.436 176.870 -0.128 0.000 1.213 474 L CA 0.050 54.748 54.840 -0.238 0.000 0.843 474 L CB -0.014 41.748 42.059 -0.495 0.000 1.107 474 L HN 0.673 nan 8.230 nan 0.000 0.487 475 H N -1.149 117.723 119.070 -0.331 0.000 2.887 475 H HA 0.264 4.820 4.556 -0.000 0.000 0.290 475 H C -0.227 174.986 175.328 -0.192 0.000 1.429 475 H CA -0.555 55.397 56.048 -0.161 0.000 1.137 475 H CB 0.948 30.714 29.762 0.007 0.000 1.824 475 H HN 0.413 nan 8.280 nan 0.000 0.520 476 S N 0.097 115.850 115.700 0.088 0.000 3.667 476 S HA -0.215 4.255 4.470 -0.001 0.000 0.405 476 S C -0.856 173.748 174.600 0.005 0.000 0.913 476 S CA 0.231 58.474 58.200 0.073 0.000 1.288 476 S CB -1.967 61.231 63.200 -0.002 0.000 0.905 476 S HN 0.583 nan 8.310 nan 0.000 0.550 477 Y N 2.108 122.435 120.300 0.046 0.000 2.299 477 Y HA 0.391 4.941 4.550 -0.001 0.000 0.335 477 Y C 1.355 177.300 175.900 0.076 0.000 1.287 477 Y CA 0.353 58.482 58.100 0.049 0.000 1.424 477 Y CB 0.492 38.978 38.460 0.044 0.000 1.326 477 Y HN 0.587 nan 8.280 nan 0.000 0.567 478 S N 1.135 116.987 115.700 0.252 0.000 2.572 478 S HA 0.111 4.581 4.470 -0.001 0.000 0.279 478 S C -2.081 172.604 174.600 0.142 0.000 1.341 478 S CA -1.051 57.245 58.200 0.160 0.000 1.043 478 S CB 1.145 64.420 63.200 0.124 0.000 0.887 478 S HN 0.440 nan 8.310 nan 0.000 0.516 479 P HA 0.010 nan 4.420 nan 0.000 0.216 479 P C 1.717 179.056 177.300 0.064 0.000 1.150 479 P CA 1.515 64.662 63.100 0.078 0.000 0.837 479 P CB -0.377 31.360 31.700 0.061 0.000 0.786 480 G N -0.065 108.771 108.800 0.059 0.000 2.402 480 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.216 480 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.216 480 G C 1.658 176.584 174.900 0.044 0.000 1.162 480 G CA 0.805 45.929 45.100 0.042 0.000 0.777 480 G HN 0.249 nan 8.290 nan 0.000 0.539 481 E N 0.790 121.035 120.200 0.074 0.000 2.051 481 E HA -0.075 4.275 4.350 -0.001 0.000 0.192 481 E C 2.429 179.064 176.600 0.059 0.000 0.991 481 E CA 0.890 57.343 56.400 0.088 0.000 0.799 481 E CB -0.424 29.385 29.700 0.182 0.000 0.748 481 E HN 0.497 nan 8.360 nan 0.000 0.449 482 I N 0.771 121.381 120.570 0.066 0.000 2.179 482 I HA -0.289 3.881 4.170 -0.001 0.000 0.242 482 I C 1.972 178.101 176.117 0.020 0.000 1.088 482 I CA 1.155 62.475 61.300 0.033 0.000 1.357 482 I CB -0.468 37.568 38.000 0.059 0.000 1.051 482 I HN 0.166 nan 8.210 nan 0.000 0.409 483 N N 0.752 119.469 118.700 0.027 0.000 2.166 483 N HA -0.197 4.543 4.740 -0.001 0.000 0.186 483 N C 1.901 177.410 175.510 -0.001 0.000 1.019 483 N CA 1.135 54.195 53.050 0.016 0.000 0.856 483 N CB -0.427 38.071 38.487 0.020 0.000 0.993 483 N HN 0.344 nan 8.380 nan 0.000 0.426 484 R N 0.888 121.384 120.500 -0.007 0.000 2.081 484 R HA -0.042 4.298 4.340 -0.001 0.000 0.235 484 R C 1.907 178.170 176.300 -0.061 0.000 1.131 484 R CA 0.998 57.077 56.100 -0.035 0.000 0.960 484 R CB -0.161 30.113 30.300 -0.043 0.000 0.856 484 R HN -0.042 nan 8.270 nan 0.000 0.436 485 V N 1.018 120.900 119.914 -0.052 0.000 2.295 485 V HA -0.224 3.896 4.120 -0.001 0.000 0.246 485 V C 2.489 178.556 176.094 -0.046 0.000 1.049 485 V CA 1.962 64.219 62.300 -0.071 0.000 1.024 485 V CB -0.770 31.035 31.823 -0.030 0.000 0.648 485 V HN 0.572 nan 8.190 nan 0.000 0.447 486 A N -0.586 122.224 122.820 -0.017 0.000 1.908 486 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 486 A C 2.576 180.160 177.584 -0.001 0.000 1.181 486 A CA 2.362 54.400 52.037 0.003 0.000 0.627 486 A CB -0.875 18.134 19.000 0.015 0.000 0.818 486 A HN 0.504 nan 8.150 nan 0.000 0.445 487 S N -1.214 114.481 115.700 -0.009 0.000 2.368 487 S HA -0.217 4.253 4.470 -0.001 0.000 0.225 487 S C 2.092 176.684 174.600 -0.014 0.000 1.030 487 S CA 1.640 59.836 58.200 -0.006 0.000 0.999 487 S CB -1.012 62.182 63.200 -0.011 0.000 0.844 487 S HN 0.774 nan 8.310 nan 0.000 0.459 488 C N 1.530 120.805 119.300 -0.042 0.000 2.432 488 C HA 0.018 4.477 4.460 -0.001 0.000 0.277 488 C C 2.525 177.494 174.990 -0.035 0.000 1.249 488 C CA 1.034 60.018 59.018 -0.057 0.000 1.725 488 C CB -1.744 25.922 27.740 -0.123 0.000 2.028 488 C HN 0.697 nan 8.230 nan 0.000 0.477 489 L N 0.308 121.516 121.223 -0.026 0.000 2.046 489 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 489 L C 3.031 179.899 176.870 -0.004 0.000 1.077 489 L CA 1.729 56.569 54.840 -0.000 0.000 0.747 489 L CB -0.910 41.174 42.059 0.041 0.000 0.896 489 L HN 0.377 nan 8.230 nan 0.000 0.432 490 R N 0.353 120.859 120.500 0.011 0.000 2.075 490 R HA -0.170 4.169 4.340 -0.001 0.000 0.232 490 R C 2.364 178.699 176.300 0.057 0.000 1.126 490 R CA 1.262 57.377 56.100 0.025 0.000 0.963 490 R CB -0.235 30.087 30.300 0.036 0.000 0.858 490 R HN 0.311 nan 8.270 nan 0.000 0.435 491 K N 0.832 121.268 120.400 0.059 0.000 2.026 491 K HA -0.148 4.171 4.320 -0.001 0.000 0.208 491 K C 1.547 178.260 176.600 0.189 0.000 1.048 491 K CA 1.300 57.654 56.287 0.110 0.000 0.929 491 K CB 0.063 32.599 32.500 0.060 0.000 0.713 491 K HN 0.006 nan 8.250 nan 0.000 0.439 492 L N 0.020 121.278 121.223 0.057 0.000 2.554 492 L HA 0.186 4.525 4.340 -0.001 0.000 0.226 492 L C 1.116 177.784 176.870 -0.336 0.000 1.137 492 L CA 1.170 56.020 54.840 0.016 0.000 0.863 492 L CB 0.092 42.152 42.059 0.002 0.000 0.985 492 L HN 0.518 nan 8.230 nan 0.000 0.451 493 G N -0.292 108.171 108.800 -0.561 0.000 2.182 493 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.248 493 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.248 493 G C 0.059 174.797 174.900 -0.270 0.000 1.042 493 G CA 0.104 44.730 45.100 -0.790 0.000 0.775 493 G HN 0.103 nan 8.290 nan 0.000 0.501 494 V N 1.053 120.906 119.914 -0.101 0.000 2.465 494 V HA 0.426 4.545 4.120 -0.001 0.000 0.279 494 V C -1.224 174.940 176.094 0.117 0.000 1.045 494 V CA -1.558 60.782 62.300 0.066 0.000 0.938 494 V CB 1.567 33.458 31.823 0.114 0.000 0.986 494 V HN 0.171 nan 8.190 nan 0.000 0.467 495 P HA 0.083 nan 4.420 nan 0.000 0.267 495 P C -2.459 174.930 177.300 0.149 0.000 1.201 495 P CA -0.647 62.458 63.100 0.008 0.000 0.775 495 P CB -0.202 31.331 31.700 -0.278 0.000 0.854 496 P HA 0.040 nan 4.420 nan 0.000 0.272 496 P C 0.925 178.345 177.300 0.201 0.000 1.230 496 P CA 0.029 63.197 63.100 0.113 0.000 0.788 496 P CB 0.723 32.448 31.700 0.041 0.000 0.949 497 L N 1.160 122.517 121.223 0.223 0.000 2.129 497 L HA -0.243 4.096 4.340 -0.001 0.000 0.212 497 L C 2.881 179.844 176.870 0.155 0.000 1.087 497 L CA 1.963 56.959 54.840 0.260 0.000 0.757 497 L CB -0.846 41.285 42.059 0.120 0.000 0.896 497 L HN 0.498 nan 8.230 nan 0.000 0.434 498 R N -0.678 119.828 120.500 0.011 0.000 2.120 498 R HA -0.134 4.206 4.340 -0.001 0.000 0.234 498 R C 1.931 177.945 176.300 -0.478 0.000 1.123 498 R CA 1.829 57.816 56.100 -0.187 0.000 0.975 498 R CB -1.197 29.017 30.300 -0.142 0.000 0.866 498 R HN 0.163 nan 8.270 nan 0.000 0.446 499 T N 0.533 114.914 114.554 -0.289 0.000 2.777 499 T HA -0.098 4.251 4.350 -0.001 0.000 0.266 499 T C 1.263 175.782 174.700 -0.302 0.000 1.040 499 T CA 1.536 63.428 62.100 -0.347 0.000 1.141 499 T CB -0.255 68.383 68.868 -0.383 0.000 0.868 499 T HN 0.440 nan 8.240 nan 0.000 0.444 500 W N 1.586 122.887 121.300 0.002 0.000 2.363 500 W HA 0.021 4.680 4.660 -0.000 0.000 0.296 500 W C 2.710 179.367 176.519 0.229 0.000 1.212 500 W CA 0.517 57.937 57.345 0.125 0.000 1.260 500 W CB -0.215 29.328 29.460 0.138 0.000 1.131 500 W HN 0.116 nan 8.180 nan 0.000 0.530 501 R N -0.124 120.590 120.500 0.356 0.000 2.081 501 R HA -0.171 4.169 4.340 -0.001 0.000 0.235 501 R C 1.834 178.266 176.300 0.221 0.000 1.131 501 R CA 2.094 58.415 56.100 0.368 0.000 0.960 501 R CB -0.653 29.804 30.300 0.261 0.000 0.856 501 R HN 0.351 nan 8.270 nan 0.000 0.436 502 H N -0.928 118.204 119.070 0.102 0.000 2.389 502 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 502 H C 2.252 177.573 175.328 -0.012 0.000 1.081 502 H CA 1.183 57.240 56.048 0.015 0.000 1.345 502 H CB 0.104 29.857 29.762 -0.014 0.000 1.393 502 H HN 0.189 nan 8.280 nan 0.000 0.520 503 R N 0.616 121.185 120.500 0.116 0.000 2.092 503 R HA -0.031 4.309 4.340 -0.001 0.000 0.231 503 R C 2.596 178.917 176.300 0.035 0.000 1.119 503 R CA 0.790 56.920 56.100 0.051 0.000 0.970 503 R CB -0.105 30.208 30.300 0.022 0.000 0.864 503 R HN 0.254 nan 8.270 nan 0.000 0.440 504 A N 1.376 124.253 122.820 0.095 0.000 1.933 504 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 504 A C 2.056 179.458 177.584 -0.302 0.000 1.175 504 A CA 1.147 53.123 52.037 -0.101 0.000 0.628 504 A CB -0.329 18.693 19.000 0.036 0.000 0.814 504 A HN 0.211 nan 8.150 nan 0.000 0.444 505 R N -0.641 119.756 120.500 -0.173 0.000 2.091 505 R HA -0.126 4.214 4.340 -0.001 0.000 0.238 505 R C 2.643 178.841 176.300 -0.170 0.000 1.136 505 R CA 1.575 57.572 56.100 -0.172 0.000 0.959 505 R CB -0.460 29.789 30.300 -0.086 0.000 0.856 505 R HN 0.557 nan 8.270 nan 0.000 0.437 506 S N 0.210 115.832 115.700 -0.130 0.000 2.368 506 S HA -0.095 4.375 4.470 -0.001 0.000 0.225 506 S C 2.029 176.536 174.600 -0.155 0.000 1.030 506 S CA 1.231 59.362 58.200 -0.114 0.000 0.999 506 S CB -0.083 63.072 63.200 -0.076 0.000 0.844 506 S HN 0.124 nan 8.310 nan 0.000 0.459 507 V N 2.451 122.228 119.914 -0.228 0.000 2.295 507 V HA -0.124 3.995 4.120 -0.001 0.000 0.246 507 V C 2.690 178.568 176.094 -0.361 0.000 1.049 507 V CA 2.185 64.310 62.300 -0.292 0.000 1.024 507 V CB -0.862 30.699 31.823 -0.437 0.000 0.648 507 V HN 0.510 nan 8.190 nan 0.000 0.447 508 R N 0.480 120.680 120.500 -0.500 0.000 2.083 508 R HA -0.207 4.133 4.340 -0.001 0.000 0.237 508 R C 2.285 178.483 176.300 -0.170 0.000 1.137 508 R CA 1.882 57.773 56.100 -0.349 0.000 0.951 508 R CB -0.496 29.620 30.300 -0.306 0.000 0.851 508 R HN 0.476 nan 8.270 nan 0.000 0.434 509 A N 1.256 123.986 122.820 -0.150 0.000 1.877 509 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 509 A C 2.014 179.558 177.584 -0.066 0.000 1.186 509 A CA 1.702 53.684 52.037 -0.093 0.000 0.620 509 A CB -0.379 18.570 19.000 -0.085 0.000 0.822 509 A HN 0.379 nan 8.150 nan 0.000 0.443 510 K N -0.494 119.865 120.400 -0.069 0.000 2.097 510 K HA -0.043 4.277 4.320 -0.001 0.000 0.206 510 K C 1.873 178.467 176.600 -0.011 0.000 1.049 510 K CA 1.273 57.540 56.287 -0.034 0.000 0.933 510 K CB -0.367 32.116 32.500 -0.029 0.000 0.717 510 K HN 0.470 nan 8.250 nan 0.000 0.442 511 L N 0.795 122.008 121.223 -0.017 0.000 2.027 511 L HA -0.170 4.170 4.340 -0.001 0.000 0.206 511 L C 2.327 179.208 176.870 0.019 0.000 1.074 511 L CA 1.028 55.883 54.840 0.026 0.000 0.745 511 L CB -0.373 41.705 42.059 0.031 0.000 0.898 511 L HN 0.163 nan 8.230 nan 0.000 0.433 512 L N -0.941 120.278 121.223 -0.007 0.000 2.131 512 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 512 L C 2.666 179.535 176.870 -0.002 0.000 1.092 512 L CA 0.907 55.743 54.840 -0.006 0.000 0.759 512 L CB -0.429 41.615 42.059 -0.025 0.000 0.903 512 L HN 0.235 nan 8.230 nan 0.000 0.435 513 S N -0.633 115.063 115.700 -0.006 0.000 2.382 513 S HA -0.219 4.250 4.470 -0.001 0.000 0.228 513 S C 1.846 176.451 174.600 0.008 0.000 1.027 513 S CA 1.161 59.360 58.200 -0.003 0.000 0.991 513 S CB -0.162 63.034 63.200 -0.007 0.000 0.823 513 S HN 0.492 nan 8.310 nan 0.000 0.469 514 Q N 0.414 120.225 119.800 0.018 0.000 2.435 514 Q HA 0.201 4.541 4.340 -0.001 0.000 0.207 514 Q C 1.375 177.392 176.000 0.029 0.000 0.956 514 Q CA 0.308 56.128 55.803 0.027 0.000 0.917 514 Q CB -0.157 28.606 28.738 0.042 0.000 0.997 514 Q HN 0.568 nan 8.270 nan 0.000 0.497 515 G N 0.102 108.918 108.800 0.026 0.000 2.641 515 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.254 515 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.254 515 G C 0.469 175.390 174.900 0.035 0.000 1.315 515 G CA -0.282 44.834 45.100 0.026 0.000 0.907 515 G HN 0.767 nan 8.290 nan 0.000 0.572 516 G N -1.123 107.695 108.800 0.031 0.000 2.581 516 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.291 516 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.291 516 G C 1.145 176.069 174.900 0.040 0.000 1.277 516 G CA 1.450 46.570 45.100 0.033 0.000 0.959 516 G HN 1.443 nan 8.290 nan 0.000 0.554 517 R N 0.077 120.604 120.500 0.045 0.000 2.096 517 R HA 0.008 4.348 4.340 -0.001 0.000 0.235 517 R C 3.221 179.569 176.300 0.080 0.000 1.127 517 R CA 1.916 58.047 56.100 0.051 0.000 0.968 517 R CB -0.613 29.722 30.300 0.059 0.000 0.861 517 R HN 0.694 nan 8.270 nan 0.000 0.440 518 A N 1.373 124.250 122.820 0.096 0.000 1.908 518 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 518 A C 2.367 180.009 177.584 0.097 0.000 1.181 518 A CA 1.786 53.899 52.037 0.128 0.000 0.627 518 A CB -0.568 18.502 19.000 0.117 0.000 0.818 518 A HN 0.401 nan 8.150 nan 0.000 0.445 519 A N -1.201 121.659 122.820 0.066 0.000 2.015 519 A HA -0.010 4.310 4.320 -0.001 0.000 0.219 519 A C 2.222 179.841 177.584 0.059 0.000 1.163 519 A CA 2.038 54.105 52.037 0.050 0.000 0.646 519 A CB -1.038 17.984 19.000 0.036 0.000 0.806 519 A HN 0.437 nan 8.150 nan 0.000 0.448 520 T N -0.788 113.802 114.554 0.061 0.000 2.821 520 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 520 T C 1.869 176.610 174.700 0.069 0.000 1.046 520 T CA 1.528 63.672 62.100 0.074 0.000 1.139 520 T CB -0.628 68.232 68.868 -0.013 0.000 0.871 520 T HN 0.585 nan 8.240 nan 0.000 0.454 521 C N 1.467 120.787 119.300 0.033 0.000 2.425 521 C HA 0.069 4.529 4.460 -0.001 0.000 0.277 521 C C 3.104 178.098 174.990 0.007 0.000 1.280 521 C CA 0.358 59.354 59.018 -0.035 0.000 1.744 521 C CB -1.529 26.185 27.740 -0.042 0.000 1.989 521 C HN 0.715 nan 8.230 nan 0.000 0.491 522 G N 0.441 109.283 108.800 0.070 0.000 2.418 522 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.217 522 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.217 522 G C 1.792 176.724 174.900 0.054 0.000 1.158 522 G CA 0.473 45.636 45.100 0.105 0.000 0.771 522 G HN 0.592 nan 8.290 nan 0.000 0.545 523 R N -0.996 119.512 120.500 0.013 0.000 2.066 523 R HA -0.010 4.329 4.340 -0.001 0.000 0.232 523 R C 2.362 178.515 176.300 -0.245 0.000 1.131 523 R CA 1.403 57.443 56.100 -0.100 0.000 0.955 523 R CB -0.416 29.826 30.300 -0.096 0.000 0.851 523 R HN 0.463 nan 8.270 nan 0.000 0.432 524 Y N 0.577 120.691 120.300 -0.309 0.000 2.262 524 Y HA 0.045 4.595 4.550 -0.001 0.000 0.295 524 Y C 2.203 177.806 175.900 -0.494 0.000 1.121 524 Y CA 0.627 58.357 58.100 -0.617 0.000 1.144 524 Y CB -0.344 37.416 38.460 -1.166 0.000 1.043 524 Y HN -0.107 nan 8.280 nan 0.000 0.528 525 L N -1.681 119.398 121.223 -0.240 0.000 2.141 525 L HA -0.152 4.188 4.340 -0.001 0.000 0.209 525 L C 0.705 177.315 176.870 -0.432 0.000 1.094 525 L CA 1.385 56.046 54.840 -0.299 0.000 0.763 525 L CB -0.366 41.321 42.059 -0.620 0.000 0.908 525 L HN 0.170 nan 8.230 nan 0.000 0.437 526 F N -1.375 118.529 119.950 -0.078 0.000 2.735 526 F HA 0.171 4.698 4.527 -0.000 0.000 0.304 526 F C 1.557 177.066 175.800 -0.485 0.000 1.119 526 F CA -0.421 57.350 58.000 -0.382 0.000 1.280 526 F CB -0.462 38.317 39.000 -0.369 0.000 0.994 526 F HN -0.061 nan 8.300 nan 0.000 0.520 527 N N 1.057 119.690 118.700 -0.113 0.000 2.364 527 N HA -0.193 4.547 4.740 -0.001 0.000 0.183 527 N C 1.945 177.426 175.510 -0.048 0.000 1.022 527 N CA 1.555 54.550 53.050 -0.092 0.000 0.883 527 N CB -0.180 38.270 38.487 -0.062 0.000 0.965 527 N HN 0.523 nan 8.380 nan 0.000 0.438 528 W N -0.528 120.820 121.300 0.080 0.000 2.525 528 W HA 0.194 4.853 4.660 -0.000 0.000 0.259 528 W C 1.363 177.947 176.519 0.108 0.000 1.253 528 W CA 0.583 57.983 57.345 0.091 0.000 1.262 528 W CB -0.856 28.667 29.460 0.106 0.000 1.122 528 W HN 0.064 nan 8.180 nan 0.000 0.607 529 A N 1.830 124.219 122.820 -0.719 0.000 1.930 529 A HA 0.074 4.394 4.320 -0.001 0.000 0.215 529 A C 1.292 178.749 177.584 -0.212 0.000 1.176 529 A CA 1.419 53.068 52.037 -0.646 0.000 0.632 529 A CB -1.041 17.421 19.000 -0.898 0.000 0.819 529 A HN 0.145 nan 8.150 nan 0.000 0.445 530 V N -1.374 118.440 119.914 -0.166 0.000 2.509 530 V HA 0.422 4.542 4.120 -0.001 0.000 0.284 530 V C 1.395 177.465 176.094 -0.039 0.000 1.047 530 V CA -0.417 61.830 62.300 -0.088 0.000 0.952 530 V CB 1.226 32.992 31.823 -0.095 0.000 0.988 530 V HN 0.576 nan 8.190 nan 0.000 0.469 531 R N 2.543 123.030 120.500 -0.022 0.000 2.092 531 R HA -0.022 4.317 4.340 -0.001 0.000 0.231 531 R C 0.677 176.963 176.300 -0.025 0.000 1.119 531 R CA 1.297 57.391 56.100 -0.010 0.000 0.970 531 R CB -1.355 28.943 30.300 -0.003 0.000 0.864 531 R HN 0.672 nan 8.270 nan 0.000 0.440 532 T N 3.076 117.610 114.554 -0.033 0.000 2.997 532 T HA 0.264 4.614 4.350 -0.001 0.000 0.311 532 T C -0.250 174.422 174.700 -0.046 0.000 1.079 532 T CA -0.375 61.703 62.100 -0.037 0.000 0.982 532 T CB 0.765 69.612 68.868 -0.036 0.000 1.032 532 T HN 0.059 nan 8.240 nan 0.000 0.581 533 K N 2.087 122.459 120.400 -0.046 0.000 2.187 533 K HA 0.439 4.759 4.320 -0.001 0.000 0.247 533 K C 0.031 176.592 176.600 -0.064 0.000 1.019 533 K CA -0.194 56.061 56.287 -0.054 0.000 0.893 533 K CB 0.389 32.863 32.500 -0.044 0.000 1.025 533 K HN 0.428 nan 8.250 nan 0.000 0.500 534 L N 1.756 122.928 121.223 -0.086 0.000 2.346 534 L HA 0.351 4.691 4.340 -0.001 0.000 0.274 534 L C -0.181 176.626 176.870 -0.105 0.000 1.007 534 L CA -1.222 53.558 54.840 -0.100 0.000 0.818 534 L CB 1.607 43.584 42.059 -0.136 0.000 1.284 534 L HN 0.344 nan 8.230 nan 0.000 0.424 535 K N 4.464 124.815 120.400 -0.080 0.000 2.402 535 K HA 0.266 4.586 4.320 -0.001 0.000 0.285 535 K C -0.587 175.954 176.600 -0.099 0.000 1.054 535 K CA 0.139 56.388 56.287 -0.063 0.000 1.001 535 K CB 0.323 32.801 32.500 -0.036 0.000 0.946 535 K HN 0.482 nan 8.250 nan 0.000 0.473 536 L N 3.513 124.672 121.223 -0.106 0.000 2.265 536 L HA 0.191 4.530 4.340 -0.001 0.000 0.288 536 L C 0.933 177.814 176.870 0.018 0.000 1.058 536 L CA -0.477 54.266 54.840 -0.162 0.000 0.809 536 L CB 0.944 42.868 42.059 -0.224 0.000 1.179 536 L HN 0.652 nan 8.230 nan 0.000 0.429 537 T N 0.793 115.398 114.554 0.085 0.000 2.945 537 T HA 0.566 4.915 4.350 -0.001 0.000 0.286 537 T C -2.560 172.275 174.700 0.226 0.000 1.025 537 T CA -2.367 59.813 62.100 0.133 0.000 1.039 537 T CB 1.661 70.583 68.868 0.089 0.000 1.068 537 T HN 0.186 nan 8.240 nan 0.000 0.497 538 P HA 0.154 nan 4.420 nan 0.000 0.264 538 P C -0.481 176.863 177.300 0.073 0.000 1.179 538 P CA -0.011 63.160 63.100 0.118 0.000 0.763 538 P CB 0.162 31.903 31.700 0.069 0.000 0.806 539 I N 5.659 126.220 120.570 -0.015 0.000 2.396 539 I HA 0.091 4.261 4.170 -0.001 0.000 0.289 539 I C -1.188 174.893 176.117 -0.060 0.000 1.056 539 I CA -1.864 59.368 61.300 -0.113 0.000 1.365 539 I CB 0.939 38.758 38.000 -0.301 0.000 1.407 539 I HN 0.345 nan 8.210 nan 0.000 0.509 540 P HA -0.278 nan 4.420 nan 0.000 0.209 540 P C 1.247 178.528 177.300 -0.032 0.000 1.167 540 P CA 1.503 64.588 63.100 -0.024 0.000 0.941 540 P CB 0.181 31.872 31.700 -0.016 0.000 0.787 541 A N -1.300 121.496 122.820 -0.040 0.000 2.248 541 A HA 0.112 4.432 4.320 -0.001 0.000 0.210 541 A C 2.048 179.602 177.584 -0.050 0.000 1.174 541 A CA 1.352 53.367 52.037 -0.038 0.000 0.750 541 A CB -1.326 17.655 19.000 -0.032 0.000 0.780 541 A HN 0.224 nan 8.150 nan 0.000 0.478 542 A N -0.617 122.167 122.820 -0.061 0.000 1.854 542 A HA -0.035 4.285 4.320 -0.001 0.000 0.214 542 A C 2.330 179.875 177.584 -0.066 0.000 1.192 542 A CA 1.619 53.615 52.037 -0.069 0.000 0.611 542 A CB -0.925 18.034 19.000 -0.068 0.000 0.832 542 A HN 0.546 nan 8.150 nan 0.000 0.442 543 S N -0.988 114.683 115.700 -0.048 0.000 2.537 543 S HA -0.158 4.312 4.470 -0.001 0.000 0.240 543 S C 1.892 176.465 174.600 -0.045 0.000 0.981 543 S CA 1.393 59.567 58.200 -0.044 0.000 0.948 543 S CB -0.328 62.856 63.200 -0.027 0.000 0.759 543 S HN 0.673 nan 8.310 nan 0.000 0.531 544 Q N -0.179 119.594 119.800 -0.045 0.000 2.349 544 Q HA 0.221 4.561 4.340 -0.001 0.000 0.209 544 Q C 0.238 176.209 176.000 -0.049 0.000 0.920 544 Q CA -0.114 55.666 55.803 -0.038 0.000 0.901 544 Q CB 0.066 28.788 28.738 -0.027 0.000 1.021 544 Q HN 0.480 nan 8.270 nan 0.000 0.519 545 L N 2.379 123.561 121.223 -0.069 0.000 2.536 545 L HA -0.114 4.226 4.340 -0.001 0.000 0.294 545 L C 0.047 176.856 176.870 -0.101 0.000 1.257 545 L CA 0.368 55.156 54.840 -0.088 0.000 0.850 545 L CB 0.054 42.030 42.059 -0.139 0.000 1.105 545 L HN 0.200 nan 8.230 nan 0.000 0.517 546 D N 2.274 122.628 120.400 -0.076 0.000 2.518 546 D HA 0.281 4.921 4.640 -0.001 0.000 0.230 546 D C 0.279 176.517 176.300 -0.102 0.000 1.138 546 D CA -0.349 53.618 54.000 -0.054 0.000 0.964 546 D CB 0.520 41.328 40.800 0.013 0.000 1.011 546 D HN 0.239 nan 8.370 nan 0.000 0.517 547 L N 1.932 122.988 121.223 -0.277 0.000 2.611 547 L HA 0.169 4.509 4.340 -0.001 0.000 0.229 547 L C 0.864 177.631 176.870 -0.171 0.000 1.137 547 L CA -0.043 54.419 54.840 -0.629 0.000 0.901 547 L CB -0.819 40.736 42.059 -0.840 0.000 1.098 547 L HN 0.312 nan 8.230 nan 0.000 0.456 548 S N -0.272 115.418 115.700 -0.017 0.000 2.552 548 S HA 0.370 4.840 4.470 -0.001 0.000 0.289 548 S C 1.463 176.137 174.600 0.124 0.000 1.304 548 S CA 0.090 58.319 58.200 0.049 0.000 1.063 548 S CB 0.641 63.861 63.200 0.033 0.000 0.848 548 S HN 0.592 nan 8.310 nan 0.000 0.499 549 G N 2.392 111.255 108.800 0.104 0.000 2.179 549 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.260 549 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.260 549 G C 0.491 175.439 174.900 0.079 0.000 0.977 549 G CA 0.374 45.510 45.100 0.060 0.000 0.641 549 G HN 0.730 nan 8.290 nan 0.000 0.533 550 W N -0.006 121.170 121.300 -0.207 0.000 2.379 550 W HA 0.403 5.062 4.660 -0.001 0.000 0.307 550 W C 1.217 177.358 176.519 -0.629 0.000 1.200 550 W CA 1.355 58.406 57.345 -0.490 0.000 1.297 550 W CB -0.315 28.678 29.460 -0.779 0.000 1.140 550 W HN 0.202 nan 8.180 nan 0.000 0.507 551 F N -0.412 119.692 119.950 0.257 0.000 2.449 551 F HA 0.306 4.833 4.527 -0.001 0.000 0.329 551 F C 0.530 176.440 175.800 0.183 0.000 1.245 551 F CA -0.526 57.612 58.000 0.230 0.000 1.193 551 F CB -0.001 39.095 39.000 0.160 0.000 1.425 551 F HN -0.381 nan 8.300 nan 0.000 0.544 552 V N 0.056 120.144 119.914 0.290 0.000 2.996 552 V HA 0.598 4.718 4.120 -0.001 0.000 0.235 552 V C 0.846 177.062 176.094 0.202 0.000 1.205 552 V CA 0.585 63.006 62.300 0.201 0.000 1.225 552 V CB 0.415 32.332 31.823 0.158 0.000 0.995 552 V HN 0.435 nan 8.190 nan 0.000 0.484 553 A N -0.592 122.294 122.820 0.110 0.000 2.609 553 A HA 0.784 5.104 4.320 -0.001 0.000 0.291 553 A C -0.242 176.952 177.584 -0.649 0.000 1.096 553 A CA 0.079 52.041 52.037 -0.125 0.000 0.684 553 A CB 1.083 19.896 19.000 -0.310 0.000 1.282 553 A HN 0.392 nan 8.150 nan 0.000 0.412 554 G N -1.280 106.801 108.800 -1.200 0.000 2.400 554 G HA2 0.530 4.490 3.960 -0.001 0.000 0.301 554 G HA3 0.530 4.490 3.960 -0.001 0.000 0.301 554 G C -0.871 173.358 174.900 -1.118 0.000 1.154 554 G CA -0.033 44.002 45.100 -1.776 0.000 0.852 554 G HN 0.593 nan 8.290 nan 0.000 0.511 555 Y N 0.580 120.678 120.300 -0.336 0.000 2.809 555 Y HA 0.283 4.832 4.550 -0.000 0.000 0.251 555 Y C 1.298 177.142 175.900 -0.093 0.000 1.136 555 Y CA -0.939 57.073 58.100 -0.146 0.000 1.185 555 Y CB 0.384 38.807 38.460 -0.061 0.000 1.260 555 Y HN 0.514 nan 8.280 nan 0.000 0.576 556 S N 0.812 116.505 115.700 -0.011 0.000 2.596 556 S HA 0.300 4.770 4.470 -0.001 0.000 0.298 556 S C 1.482 176.118 174.600 0.059 0.000 1.255 556 S CA 1.536 59.759 58.200 0.037 0.000 1.083 556 S CB -0.089 63.134 63.200 0.038 0.000 0.837 556 S HN 1.073 nan 8.310 nan 0.000 0.499 557 G N 3.656 112.491 108.800 0.059 0.000 2.184 557 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.264 557 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.264 557 G C 0.888 175.830 174.900 0.071 0.000 0.975 557 G CA 0.438 45.575 45.100 0.062 0.000 0.642 557 G HN 1.348 nan 8.290 nan 0.000 0.536 558 G N -0.115 108.736 108.800 0.085 0.000 2.920 558 G HA2 0.343 4.303 3.960 -0.001 0.000 0.208 558 G HA3 0.343 4.303 3.960 -0.001 0.000 0.208 558 G C 0.537 175.463 174.900 0.043 0.000 1.159 558 G CA 1.166 46.328 45.100 0.103 0.000 0.784 558 G HN 1.364 nan 8.290 nan 0.000 0.535 559 D N -0.632 119.765 120.400 -0.004 0.000 2.718 559 D HA -0.157 4.482 4.640 -0.001 0.000 0.242 559 D C -0.286 175.951 176.300 -0.106 0.000 1.123 559 D CA 0.296 54.265 54.000 -0.052 0.000 0.690 559 D CB -1.250 39.531 40.800 -0.032 0.000 1.059 559 D HN 0.097 nan 8.370 nan 0.000 0.429 560 I N 1.596 122.074 120.570 -0.154 0.000 2.433 560 I HA 0.392 4.561 4.170 -0.001 0.000 0.292 560 I C -0.113 175.806 176.117 -0.330 0.000 1.001 560 I CA -0.818 60.290 61.300 -0.321 0.000 1.119 560 I CB 1.260 38.941 38.000 -0.531 0.000 1.289 560 I HN 0.141 nan 8.210 nan 0.000 0.438 561 Y N 5.591 125.560 120.300 -0.552 0.000 2.409 561 Y HA 0.490 5.040 4.550 -0.001 0.000 0.343 561 Y C -0.782 174.713 175.900 -0.673 0.000 0.973 561 Y CA -0.489 57.304 58.100 -0.512 0.000 1.064 561 Y CB 1.212 39.471 38.460 -0.334 0.000 1.207 561 Y HN 0.462 nan 8.280 nan 0.000 0.452 562 H N 3.761 122.219 119.070 -1.020 0.000 2.539 562 H HA 0.373 4.928 4.556 -0.001 0.000 0.332 562 H C -0.732 174.176 175.328 -0.699 0.000 1.031 562 H CA -0.268 55.319 56.048 -0.770 0.000 1.206 562 H CB 2.177 31.455 29.762 -0.807 0.000 1.446 562 H HN 0.699 nan 8.280 nan 0.000 0.496 563 S N 0.000 115.587 115.700 -0.189 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 563 S CA 0.000 58.154 58.200 -0.077 0.000 1.107 563 S CB 0.000 63.230 63.200 0.050 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517