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 2vdh_1_E DATA FIRST_RESID 11 DATA SEQUENCE AGFKAGVKDY RLTYYTPDYV VRDTDILAAF RMTPQPGVPP EECGAAVAAE DATA SEQUENCE SSTGTWTTVW TDGLTSLDRY KGRCYDIEPV PGEDNQYIAY VAYXIDLFEE DATA SEQUENCE GSVTNMFTSI VGNVFGFKAL RALRLEDLRI PPAYVKTFVG XPHGIQVERD DATA SEQUENCE KLNKYGRGLL GSTIKPKLGL SAKNYGRAVY ECLRGGLDFT XDDENVNSQP DATA SEQUENCE FMRWRDRFLF VAEAIYKAQA ETGEVKGHYL NATAGTCEEM MKRAVXAKEL DATA SEQUENCE GVPIIMHDYL TGGFTANTSL AIYCRDNGLL LHIHRAMHAV IDRQRNHGIH DATA SEQUENCE FRVLAKALRM SGGDHLHSGT VVGKLEGERE VTLGFVDLMR DDYVEKDRSR DATA SEQUENCE GIYFTQDWXS MPGVMPVASG GIHVWHMPAL VEIFGDDACL QFGGGTLGHP DATA SEQUENCE WGNAPGAAAN RVALEACTQA RNEGRDLARE GGDVIRSAcK WSPELAAAcE DATA SEQUENCE VWKEIKFEFD TIDKL 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.617 177.584 0.055 0.000 1.274 11 A CA 0.000 52.056 52.037 0.031 0.000 0.836 11 A CB 0.000 19.015 19.000 0.024 0.000 0.831 12 G N 0.118 108.954 108.800 0.059 0.000 2.552 12 G HA2 0.614 4.578 3.960 0.006 0.000 0.318 12 G HA3 0.614 4.578 3.960 0.006 0.000 0.318 12 G C -0.487 174.505 174.900 0.154 0.000 1.240 12 G CA -0.704 44.455 45.100 0.099 0.000 1.002 12 G HN 1.339 nan 8.290 nan 0.000 0.493 13 F N 0.985 120.956 119.950 0.036 0.000 2.472 13 F HA 0.454 4.986 4.527 0.008 0.000 0.364 13 F C 0.394 176.209 175.800 0.024 0.000 1.090 13 F CA -0.850 57.181 58.000 0.051 0.000 1.188 13 F CB 0.827 39.884 39.000 0.095 0.000 1.105 13 F HN 0.136 nan 8.300 nan 0.000 0.536 14 K N 6.430 126.591 120.400 -0.399 0.000 2.449 14 K HA 0.590 4.914 4.320 0.006 0.000 0.257 14 K C -0.701 175.490 176.600 -0.681 0.000 0.989 14 K CA -0.610 55.361 56.287 -0.527 0.000 0.916 14 K CB 1.108 33.477 32.500 -0.218 0.000 1.136 14 K HN 0.815 nan 8.250 nan 0.000 0.439 15 A N 2.518 124.765 122.820 -0.956 0.000 2.483 15 A HA 0.570 4.894 4.320 0.006 0.000 0.238 15 A C 0.530 177.975 177.584 -0.233 0.000 1.070 15 A CA 0.959 52.680 52.037 -0.527 0.000 0.770 15 A CB 0.027 18.819 19.000 -0.348 0.000 1.008 15 A HN 0.985 nan 8.150 nan 0.000 0.497 16 G N -0.937 107.780 108.800 -0.139 0.000 2.371 16 G HA2 0.304 4.268 3.960 0.006 0.000 0.663 16 G HA3 0.304 4.268 3.960 0.006 0.000 0.663 16 G C -0.918 173.913 174.900 -0.115 0.000 1.311 16 G CA -0.437 44.600 45.100 -0.105 0.000 0.985 16 G HN 1.463 nan 8.290 nan 0.000 0.566 17 V N 1.638 121.512 119.914 -0.067 0.000 2.465 17 V HA 0.668 4.791 4.120 0.006 0.000 0.279 17 V C 0.676 176.736 176.094 -0.057 0.000 1.045 17 V CA 0.524 62.790 62.300 -0.057 0.000 0.938 17 V CB 1.157 33.015 31.823 0.058 0.000 0.986 17 V HN 1.062 nan 8.190 nan 0.000 0.467 18 K N 1.959 122.305 120.400 -0.090 0.000 2.439 18 K HA 0.625 4.948 4.320 0.006 0.000 0.260 18 K C -1.387 175.149 176.600 -0.108 0.000 1.032 18 K CA -1.082 55.163 56.287 -0.070 0.000 0.882 18 K CB 1.661 34.131 32.500 -0.050 0.000 1.420 18 K HN 0.320 nan 8.250 nan 0.000 0.455 19 D N 0.809 121.181 120.400 -0.047 0.000 2.414 19 D HA 0.048 4.691 4.640 0.006 0.000 0.242 19 D C 0.569 176.881 176.300 0.021 0.000 1.129 19 D CA 0.141 54.132 54.000 -0.016 0.000 0.885 19 D CB 0.267 41.088 40.800 0.036 0.000 1.198 19 D HN 0.446 nan 8.370 nan 0.000 0.437 20 Y N 1.300 121.659 120.300 0.098 0.000 2.274 20 Y HA -0.197 4.357 4.550 0.005 0.000 0.290 20 Y C 2.391 178.415 175.900 0.206 0.000 1.145 20 Y CA 1.169 59.370 58.100 0.167 0.000 1.203 20 Y CB -0.224 38.271 38.460 0.060 0.000 0.984 20 Y HN 0.456 nan 8.280 nan 0.000 0.533 21 R N 0.451 121.116 120.500 0.276 0.000 2.241 21 R HA -0.128 4.216 4.340 0.006 0.000 0.224 21 R C 1.561 177.976 176.300 0.192 0.000 1.101 21 R CA 1.464 57.699 56.100 0.224 0.000 0.995 21 R CB -0.984 29.383 30.300 0.112 0.000 0.870 21 R HN 0.360 nan 8.270 nan 0.000 0.463 22 L N 0.676 121.977 121.223 0.131 0.000 2.201 22 L HA -0.061 4.283 4.340 0.006 0.000 0.212 22 L C 1.544 178.421 176.870 0.012 0.000 1.105 22 L CA 1.485 56.364 54.840 0.065 0.000 0.775 22 L CB -0.158 41.922 42.059 0.034 0.000 0.913 22 L HN 0.308 nan 8.230 nan 0.000 0.440 23 T N -3.147 111.400 114.554 -0.011 0.000 3.026 23 T HA 0.048 4.402 4.350 0.006 0.000 0.245 23 T C 0.979 175.469 174.700 -0.350 0.000 1.004 23 T CA 0.326 62.272 62.100 -0.257 0.000 1.069 23 T CB 0.099 68.678 68.868 -0.482 0.000 1.005 23 T HN 0.116 nan 8.240 nan 0.000 0.472 24 Y N -0.285 120.059 120.300 0.073 0.000 2.481 24 Y HA 0.426 4.979 4.550 0.005 0.000 0.247 24 Y C -0.046 175.907 175.900 0.089 0.000 1.151 24 Y CA -1.227 56.900 58.100 0.046 0.000 1.238 24 Y CB 0.450 38.935 38.460 0.042 0.000 1.179 24 Y HN 0.173 nan 8.280 nan 0.000 0.524 25 Y N 2.154 122.506 120.300 0.086 0.000 2.369 25 Y HA 0.439 4.993 4.550 0.006 0.000 0.337 25 Y C -0.037 175.883 175.900 0.033 0.000 0.961 25 Y CA -1.509 56.620 58.100 0.049 0.000 1.186 25 Y CB 0.796 39.279 38.460 0.038 0.000 1.139 25 Y HN 0.037 nan 8.280 nan 0.000 0.494 26 T N 5.495 119.855 114.554 -0.324 0.000 3.410 26 T HA 0.280 4.634 4.350 0.006 0.000 0.328 26 T C -2.433 172.123 174.700 -0.239 0.000 1.567 26 T CA -1.717 60.233 62.100 -0.249 0.000 1.626 26 T CB 1.063 69.862 68.868 -0.115 0.000 0.939 26 T HN 0.473 nan 8.240 nan 0.000 0.656 27 P HA 0.094 nan 4.420 nan 0.000 0.237 27 P C 0.134 177.405 177.300 -0.048 0.000 1.178 27 P CA 0.603 63.545 63.100 -0.263 0.000 0.766 27 P CB 0.250 31.733 31.700 -0.361 0.000 0.876 28 D N -1.680 118.698 120.400 -0.037 0.000 2.368 28 D HA 0.014 4.658 4.640 0.006 0.000 0.218 28 D C 0.240 176.565 176.300 0.041 0.000 1.112 28 D CA -0.342 53.659 54.000 0.002 0.000 0.834 28 D CB -0.408 40.383 40.800 -0.016 0.000 0.953 28 D HN 0.193 nan 8.370 nan 0.000 0.505 29 Y N 1.801 122.067 120.300 -0.057 0.000 2.442 29 Y HA 0.151 4.704 4.550 0.005 0.000 0.330 29 Y C -0.132 175.701 175.900 -0.113 0.000 1.129 29 Y CA -0.342 57.712 58.100 -0.077 0.000 1.365 29 Y CB 0.680 39.100 38.460 -0.066 0.000 1.233 29 Y HN -0.328 nan 8.280 nan 0.000 0.529 30 V N 8.732 128.253 119.914 -0.656 0.000 2.368 30 V HA 0.165 4.289 4.120 0.006 0.000 0.266 30 V C -0.152 175.315 176.094 -1.044 0.000 1.045 30 V CA -0.747 61.175 62.300 -0.630 0.000 0.899 30 V CB 0.452 32.050 31.823 -0.375 0.000 1.006 30 V HN 0.740 nan 8.190 nan 0.000 0.470 31 V N 4.436 123.851 119.914 -0.831 0.000 2.788 31 V HA 0.290 4.413 4.120 0.006 0.000 0.307 31 V C 0.514 176.365 176.094 -0.405 0.000 1.069 31 V CA -0.378 61.530 62.300 -0.653 0.000 1.173 31 V CB 0.032 31.555 31.823 -0.499 0.000 0.925 31 V HN 0.843 nan 8.190 nan 0.000 0.492 32 R N 2.859 123.216 120.500 -0.239 0.000 2.500 32 R HA 0.317 4.660 4.340 0.006 0.000 0.275 32 R C 0.369 176.611 176.300 -0.097 0.000 1.051 32 R CA -0.517 55.502 56.100 -0.135 0.000 1.088 32 R CB 0.624 30.894 30.300 -0.051 0.000 1.063 32 R HN 0.768 nan 8.270 nan 0.000 0.511 33 D N 0.528 120.882 120.400 -0.076 0.000 2.350 33 D HA -0.100 4.544 4.640 0.006 0.000 0.216 33 D C 1.435 177.712 176.300 -0.038 0.000 0.968 33 D CA 1.399 55.365 54.000 -0.057 0.000 0.894 33 D CB 0.129 40.905 40.800 -0.040 0.000 0.909 33 D HN 0.641 nan 8.370 nan 0.000 0.520 34 T N -2.629 111.912 114.554 -0.022 0.000 3.060 34 T HA 0.024 4.377 4.350 0.006 0.000 0.249 34 T C 0.532 175.233 174.700 0.002 0.000 1.079 34 T CA -0.465 61.636 62.100 0.002 0.000 1.013 34 T CB 0.301 69.184 68.868 0.025 0.000 0.975 34 T HN -0.229 nan 8.240 nan 0.000 0.518 35 D N 1.743 122.140 120.400 -0.005 0.000 2.414 35 D HA 0.309 4.953 4.640 0.006 0.000 0.242 35 D C -0.195 176.087 176.300 -0.030 0.000 1.129 35 D CA -0.386 53.629 54.000 0.025 0.000 0.885 35 D CB 0.613 41.437 40.800 0.040 0.000 1.198 35 D HN 0.188 nan 8.370 nan 0.000 0.437 36 I N 2.288 122.864 120.570 0.009 0.000 2.416 36 I HA 0.121 4.295 4.170 0.006 0.000 0.288 36 I C 0.065 176.209 176.117 0.045 0.000 1.051 36 I CA -0.062 61.187 61.300 -0.086 0.000 1.375 36 I CB 0.439 38.260 38.000 -0.299 0.000 1.407 36 I HN 0.063 nan 8.210 nan 0.000 0.516 37 L N 6.244 127.361 121.223 -0.176 0.000 2.334 37 L HA 0.881 5.225 4.340 0.006 0.000 0.276 37 L C -0.089 176.659 176.870 -0.203 0.000 1.014 37 L CA -0.779 53.934 54.840 -0.212 0.000 0.815 37 L CB 1.570 43.256 42.059 -0.622 0.000 1.268 37 L HN 0.651 nan 8.230 nan 0.000 0.428 38 A N 2.072 124.978 122.820 0.142 0.000 2.371 38 A HA 0.877 5.200 4.320 0.006 0.000 0.311 38 A C -0.666 176.991 177.584 0.122 0.000 1.068 38 A CA -0.545 51.536 52.037 0.074 0.000 0.744 38 A CB 1.720 20.707 19.000 -0.022 0.000 1.239 38 A HN 0.757 nan 8.150 nan 0.000 0.435 39 A N 1.889 124.646 122.820 -0.106 0.000 2.267 39 A HA 0.710 5.034 4.320 0.006 0.000 0.315 39 A C -1.171 176.056 177.584 -0.595 0.000 1.297 39 A CA -0.276 51.480 52.037 -0.468 0.000 0.865 39 A CB -0.211 18.352 19.000 -0.728 0.000 1.165 39 A HN 0.615 nan 8.150 nan 0.000 0.513 40 F N 1.614 121.368 119.950 -0.326 0.000 2.415 40 F HA 0.437 4.967 4.527 0.005 0.000 0.348 40 F C 0.984 176.638 175.800 -0.243 0.000 1.119 40 F CA -0.310 57.537 58.000 -0.256 0.000 1.069 40 F CB 1.525 40.383 39.000 -0.235 0.000 1.124 40 F HN 0.608 nan 8.300 nan 0.000 0.472 41 R N 5.322 125.810 120.500 -0.021 0.000 2.242 41 R HA 0.394 4.738 4.340 0.006 0.000 0.334 41 R C -0.864 175.449 176.300 0.021 0.000 1.071 41 R CA -0.180 55.920 56.100 0.001 0.000 0.922 41 R CB 0.414 30.718 30.300 0.006 0.000 1.023 41 R HN 0.828 nan 8.270 nan 0.000 0.458 42 M N 3.764 123.386 119.600 0.037 0.000 2.311 42 M HA 0.281 4.764 4.480 0.006 0.000 0.325 42 M C -1.187 175.166 176.300 0.088 0.000 1.061 42 M CA -0.295 55.015 55.300 0.018 0.000 0.957 42 M CB 2.204 34.798 32.600 -0.010 0.000 1.646 42 M HN 0.447 nan 8.290 nan 0.000 0.434 43 T N 6.344 120.933 114.554 0.058 0.000 2.963 43 T HA 0.462 4.816 4.350 0.006 0.000 0.343 43 T C -2.636 172.104 174.700 0.067 0.000 1.146 43 T CA -1.145 61.006 62.100 0.084 0.000 1.016 43 T CB 0.708 69.617 68.868 0.067 0.000 1.046 43 T HN 0.416 nan 8.240 nan 0.000 0.496 44 P HA 0.177 nan 4.420 nan 0.000 0.274 44 P C 0.071 177.398 177.300 0.045 0.000 1.231 44 P CA -0.657 62.466 63.100 0.039 0.000 0.790 44 P CB 0.582 32.292 31.700 0.017 0.000 0.951 45 Q N 2.345 122.163 119.800 0.030 0.000 2.421 45 Q HA 0.152 4.495 4.340 0.006 0.000 0.255 45 Q C -1.906 174.111 176.000 0.029 0.000 1.013 45 Q CA -1.352 54.470 55.803 0.031 0.000 0.895 45 Q CB -0.496 28.259 28.738 0.028 0.000 1.271 45 Q HN 0.365 nan 8.270 nan 0.000 0.460 46 P HA -0.047 nan 4.420 nan 0.000 0.264 46 P C 0.470 177.782 177.300 0.020 0.000 1.193 46 P CA 0.852 63.968 63.100 0.026 0.000 0.763 46 P CB 0.352 32.065 31.700 0.023 0.000 0.810 47 G N 1.567 110.377 108.800 0.016 0.000 2.175 47 G HA2 -0.188 3.775 3.960 0.006 0.000 0.244 47 G HA3 -0.188 3.775 3.960 0.006 0.000 0.244 47 G C -0.146 174.757 174.900 0.004 0.000 0.982 47 G CA -0.125 44.982 45.100 0.010 0.000 0.641 47 G HN 0.538 nan 8.290 nan 0.000 0.527 48 V N 2.407 122.321 119.914 -0.001 0.000 2.328 48 V HA 0.468 4.592 4.120 0.006 0.000 0.278 48 V C -1.628 174.432 176.094 -0.057 0.000 1.021 48 V CA -1.665 60.625 62.300 -0.017 0.000 0.838 48 V CB 1.470 33.288 31.823 -0.008 0.000 0.999 48 V HN 0.131 nan 8.190 nan 0.000 0.447 49 P HA 0.168 nan 4.420 nan 0.000 0.266 49 P C -2.054 175.100 177.300 -0.244 0.000 1.195 49 P CA -1.185 61.829 63.100 -0.144 0.000 0.768 49 P CB 0.198 31.821 31.700 -0.129 0.000 0.838 50 P HA -0.195 nan 4.420 nan 0.000 0.216 50 P C 1.078 178.099 177.300 -0.465 0.000 1.150 50 P CA 1.527 64.268 63.100 -0.598 0.000 0.843 50 P CB 0.067 31.129 31.700 -1.063 0.000 0.787 51 E N -0.473 119.436 120.200 -0.485 0.000 2.077 51 E HA -0.206 4.148 4.350 0.006 0.000 0.193 51 E C 2.032 178.371 176.600 -0.435 0.000 0.989 51 E CA 1.188 57.176 56.400 -0.688 0.000 0.800 51 E CB -0.671 28.515 29.700 -0.858 0.000 0.746 51 E HN 0.276 nan 8.360 nan 0.000 0.452 52 E N -0.094 119.951 120.200 -0.258 0.000 2.152 52 E HA -0.105 4.248 4.350 0.006 0.000 0.192 52 E C 1.812 178.337 176.600 -0.125 0.000 0.983 52 E CA 0.808 57.145 56.400 -0.106 0.000 0.818 52 E CB -0.474 29.204 29.700 -0.036 0.000 0.758 52 E HN 0.282 nan 8.360 nan 0.000 0.467 53 C N -0.476 118.710 119.300 -0.190 0.000 2.453 53 C HA 0.122 4.585 4.460 0.006 0.000 0.277 53 C C 2.651 177.462 174.990 -0.298 0.000 1.262 53 C CA 1.273 60.155 59.018 -0.226 0.000 1.718 53 C CB -1.316 26.305 27.740 -0.200 0.000 2.031 53 C HN 0.647 nan 8.230 nan 0.000 0.480 54 G N -0.116 108.523 108.800 -0.269 0.000 2.422 54 G HA2 -0.031 3.933 3.960 0.006 0.000 0.218 54 G HA3 -0.031 3.933 3.960 0.006 0.000 0.218 54 G C 1.938 176.709 174.900 -0.215 0.000 1.146 54 G CA 1.026 45.984 45.100 -0.238 0.000 0.769 54 G HN 0.694 nan 8.290 nan 0.000 0.547 55 A N 1.196 123.925 122.820 -0.150 0.000 1.902 55 A HA 0.242 4.565 4.320 0.006 0.000 0.217 55 A C 2.802 180.192 177.584 -0.324 0.000 1.181 55 A CA 2.263 54.266 52.037 -0.056 0.000 0.623 55 A CB -0.737 18.328 19.000 0.108 0.000 0.818 55 A HN 0.753 nan 8.150 nan 0.000 0.443 56 A N -0.629 121.851 122.820 -0.567 0.000 1.898 56 A HA 0.031 4.355 4.320 0.006 0.000 0.216 56 A C 2.227 179.211 177.584 -1.001 0.000 1.181 56 A CA 1.705 53.019 52.037 -1.204 0.000 0.620 56 A CB -0.886 17.485 19.000 -1.049 0.000 0.819 56 A HN 0.375 nan 8.150 nan 0.000 0.442 57 V N -0.070 119.397 119.914 -0.744 0.000 2.295 57 V HA -0.255 3.868 4.120 0.006 0.000 0.246 57 V C 3.070 178.852 176.094 -0.520 0.000 1.049 57 V CA 1.973 63.843 62.300 -0.716 0.000 1.024 57 V CB -1.271 30.065 31.823 -0.811 0.000 0.648 57 V HN 0.613 nan 8.190 nan 0.000 0.447 58 A N -0.030 122.551 122.820 -0.399 0.000 1.877 58 A HA -0.143 4.180 4.320 0.006 0.000 0.216 58 A C 2.430 179.803 177.584 -0.352 0.000 1.186 58 A CA 2.266 54.148 52.037 -0.257 0.000 0.620 58 A CB -0.845 18.080 19.000 -0.126 0.000 0.822 58 A HN 0.574 nan 8.150 nan 0.000 0.443 59 A N -0.467 121.923 122.820 -0.717 0.000 1.858 59 A HA -0.144 4.179 4.320 0.006 0.000 0.216 59 A C 1.872 179.133 177.584 -0.539 0.000 1.190 59 A CA 1.582 52.931 52.037 -1.146 0.000 0.617 59 A CB -0.421 17.812 19.000 -1.278 0.000 0.827 59 A HN 0.494 nan 8.150 nan 0.000 0.443 60 E N 0.295 120.199 120.200 -0.493 0.000 2.502 60 E HA -0.023 4.331 4.350 0.006 0.000 0.194 60 E C 1.350 177.870 176.600 -0.133 0.000 1.062 60 E CA 0.830 57.070 56.400 -0.267 0.000 0.867 60 E CB -0.034 29.439 29.700 -0.377 0.000 0.888 60 E HN 0.710 nan 8.360 nan 0.000 0.510 61 S N -0.740 114.892 115.700 -0.114 0.000 2.572 61 S HA 0.133 4.607 4.470 0.006 0.000 0.228 61 S C 1.344 176.008 174.600 0.106 0.000 0.963 61 S CA 0.242 58.464 58.200 0.037 0.000 0.939 61 S CB 0.295 63.577 63.200 0.136 0.000 0.804 61 S HN 0.147 nan 8.310 nan 0.000 0.480 62 S N 1.361 117.090 115.700 0.048 0.000 4.640 62 S HA 0.161 4.635 4.470 0.006 0.000 0.157 62 S C 1.341 175.958 174.600 0.029 0.000 0.963 62 S CA 0.575 58.822 58.200 0.077 0.000 1.235 62 S CB -0.221 63.089 63.200 0.183 0.000 1.848 62 S HN 0.527 nan 8.310 nan 0.000 0.751 63 T N -0.955 113.634 114.554 0.058 0.000 2.969 63 T HA 0.484 4.838 4.350 0.006 0.000 0.258 63 T C 0.805 175.555 174.700 0.085 0.000 0.962 63 T CA 0.426 62.574 62.100 0.080 0.000 0.903 63 T CB 0.161 69.125 68.868 0.160 0.000 1.177 63 T HN 0.751 nan 8.240 nan 0.000 0.511 64 G N 0.309 109.128 108.800 0.031 0.000 2.434 64 G HA2 0.562 4.525 3.960 0.006 0.000 0.330 64 G HA3 0.562 4.525 3.960 0.006 0.000 0.330 64 G C -0.808 174.150 174.900 0.095 0.000 1.155 64 G CA -0.267 44.879 45.100 0.076 0.000 0.917 64 G HN 0.267 nan 8.290 nan 0.000 0.493 65 T N -0.838 113.800 114.554 0.139 0.000 2.676 65 T HA 0.431 4.785 4.350 0.006 0.000 0.269 65 T C 0.698 175.530 174.700 0.220 0.000 0.952 65 T CA -0.506 61.719 62.100 0.208 0.000 1.040 65 T CB 0.770 69.719 68.868 0.136 0.000 1.352 65 T HN 0.670 nan 8.240 nan 0.000 0.554 66 W N 0.662 122.056 121.300 0.156 0.000 2.905 66 W HA 0.323 4.987 4.660 0.007 0.000 0.251 66 W C 0.275 176.773 176.519 -0.035 0.000 1.305 66 W CA 0.264 57.662 57.345 0.087 0.000 1.465 66 W CB -1.002 28.527 29.460 0.116 0.000 1.122 66 W HN 0.526 nan 8.180 nan 0.000 0.659 67 T N 0.753 114.860 114.554 -0.744 0.000 2.883 67 T HA 0.324 4.678 4.350 0.006 0.000 0.301 67 T C -0.538 173.931 174.700 -0.385 0.000 1.158 67 T CA -0.299 61.379 62.100 -0.705 0.000 1.007 67 T CB 1.874 69.956 68.868 -1.311 0.000 1.186 67 T HN -0.233 nan 8.240 nan 0.000 0.499 68 T N 2.541 116.979 114.554 -0.192 0.000 2.870 68 T HA 0.471 4.825 4.350 0.006 0.000 0.300 68 T C 0.153 174.920 174.700 0.110 0.000 0.989 68 T CA -0.348 61.747 62.100 -0.007 0.000 1.139 68 T CB 0.185 69.089 68.868 0.060 0.000 0.920 68 T HN 0.660 nan 8.240 nan 0.000 0.537 69 V N 3.286 123.228 119.914 0.047 0.000 2.513 69 V HA 0.481 4.605 4.120 0.006 0.000 0.299 69 V C 1.195 177.159 176.094 -0.216 0.000 1.035 69 V CA -1.150 61.103 62.300 -0.079 0.000 0.889 69 V CB 1.308 32.999 31.823 -0.220 0.000 0.988 69 V HN 1.047 nan 8.190 nan 0.000 0.440 70 W N 2.741 123.630 121.300 -0.686 0.000 2.402 70 W HA -0.113 4.550 4.660 0.004 0.000 0.286 70 W C 1.480 177.774 176.519 -0.375 0.000 1.221 70 W CA 1.621 58.409 57.345 -0.928 0.000 1.257 70 W CB -1.708 26.886 29.460 -1.443 0.000 1.120 70 W HN 0.755 nan 8.180 nan 0.000 0.551 71 T N -1.030 112.811 114.554 -1.188 0.000 3.025 71 T HA -0.213 4.141 4.350 0.006 0.000 0.270 71 T C 1.089 175.531 174.700 -0.430 0.000 1.126 71 T CA 1.596 63.059 62.100 -1.062 0.000 1.105 71 T CB -0.604 67.582 68.868 -1.136 0.000 0.884 71 T HN -0.069 nan 8.240 nan 0.000 0.522 72 D N 1.988 122.224 120.400 -0.272 0.000 2.182 72 D HA -0.021 4.623 4.640 0.006 0.000 0.201 72 D C 2.305 178.572 176.300 -0.054 0.000 0.986 72 D CA 1.331 55.261 54.000 -0.117 0.000 0.847 72 D CB -0.837 39.934 40.800 -0.048 0.000 0.942 72 D HN 0.611 nan 8.370 nan 0.000 0.467 73 G N -0.116 108.670 108.800 -0.025 0.000 2.598 73 G HA2 -0.095 3.869 3.960 0.006 0.000 0.215 73 G HA3 -0.095 3.869 3.960 0.006 0.000 0.215 73 G C 1.563 176.482 174.900 0.031 0.000 1.131 73 G CA -0.057 45.064 45.100 0.034 0.000 0.785 73 G HN 0.266 nan 8.290 nan 0.000 0.539 74 L N -0.291 120.928 121.223 -0.006 0.000 2.418 74 L HA 0.161 4.505 4.340 0.006 0.000 0.218 74 L C 1.666 178.535 176.870 -0.001 0.000 1.125 74 L CA 0.439 55.280 54.840 0.003 0.000 0.835 74 L CB 0.103 42.141 42.059 -0.036 0.000 0.953 74 L HN 0.210 nan 8.230 nan 0.000 0.454 75 T N -2.370 112.181 114.554 -0.006 0.000 2.762 75 T HA 0.286 4.639 4.350 0.006 0.000 0.272 75 T C -0.487 174.260 174.700 0.078 0.000 0.982 75 T CA -0.438 61.687 62.100 0.042 0.000 1.013 75 T CB 1.976 70.844 68.868 0.000 0.000 1.309 75 T HN -0.124 nan 8.240 nan 0.000 0.572 76 S N 1.569 117.365 115.700 0.160 0.000 2.601 76 S HA 0.367 4.841 4.470 0.006 0.000 0.312 76 S C 0.797 175.473 174.600 0.126 0.000 1.107 76 S CA -0.702 57.555 58.200 0.096 0.000 1.129 76 S CB 0.407 63.624 63.200 0.029 0.000 0.982 76 S HN 0.571 nan 8.310 nan 0.000 0.469 77 L N 4.422 125.683 121.223 0.063 0.000 2.141 77 L HA 0.056 4.400 4.340 0.006 0.000 0.209 77 L C 1.665 178.523 176.870 -0.019 0.000 1.094 77 L CA 1.854 56.721 54.840 0.046 0.000 0.763 77 L CB -0.381 41.668 42.059 -0.017 0.000 0.908 77 L HN 0.602 nan 8.230 nan 0.000 0.437 78 D N -0.863 119.501 120.400 -0.059 0.000 2.182 78 D HA -0.227 4.416 4.640 0.006 0.000 0.201 78 D C 2.251 178.475 176.300 -0.128 0.000 0.986 78 D CA 1.004 54.946 54.000 -0.097 0.000 0.847 78 D CB -0.075 40.678 40.800 -0.078 0.000 0.942 78 D HN 0.341 nan 8.370 nan 0.000 0.467 79 R N -0.848 119.543 120.500 -0.181 0.000 2.119 79 R HA -0.089 4.255 4.340 0.006 0.000 0.222 79 R C 1.298 177.334 176.300 -0.441 0.000 1.088 79 R CA 0.943 56.819 56.100 -0.375 0.000 0.984 79 R CB 0.070 30.008 30.300 -0.603 0.000 0.884 79 R HN 0.204 nan 8.270 nan 0.000 0.447 80 Y N 0.564 120.846 120.300 -0.030 0.000 2.483 80 Y HA 0.160 4.711 4.550 0.002 0.000 0.258 80 Y C 0.076 175.974 175.900 -0.004 0.000 1.083 80 Y CA -0.298 57.790 58.100 -0.021 0.000 1.283 80 Y CB 0.273 38.718 38.460 -0.026 0.000 1.178 80 Y HN -0.073 nan 8.280 nan 0.000 0.515 81 K N 1.351 121.817 120.400 0.111 0.000 2.401 81 K HA 0.312 4.635 4.320 0.006 0.000 0.278 81 K C 0.595 177.235 176.600 0.066 0.000 1.018 81 K CA 0.069 56.438 56.287 0.136 0.000 0.981 81 K CB 0.648 33.170 32.500 0.038 0.000 0.933 81 K HN 0.143 nan 8.250 nan 0.000 0.477 82 G N 2.976 111.846 108.800 0.117 0.000 2.491 82 G HA2 0.148 4.111 3.960 0.006 0.000 0.242 82 G HA3 0.148 4.111 3.960 0.006 0.000 0.242 82 G C -0.743 174.135 174.900 -0.037 0.000 1.266 82 G CA -0.811 44.244 45.100 -0.075 0.000 0.844 82 G HN 0.675 nan 8.290 nan 0.000 0.571 83 R N 0.483 120.884 120.500 -0.166 0.000 2.502 83 R HA 0.284 4.628 4.340 0.006 0.000 0.300 83 R C -0.955 175.367 176.300 0.037 0.000 0.984 83 R CA -0.655 55.387 56.100 -0.096 0.000 0.882 83 R CB 1.787 31.878 30.300 -0.349 0.000 1.180 83 R HN 0.523 nan 8.270 nan 0.000 0.444 84 C N 5.352 124.703 119.300 0.085 0.000 2.416 84 C HA 0.219 4.683 4.460 0.006 0.000 0.355 84 C C 1.033 176.122 174.990 0.165 0.000 1.211 84 C CA -0.448 58.643 59.018 0.122 0.000 1.699 84 C CB -1.231 26.602 27.740 0.156 0.000 2.310 84 C HN 0.993 nan 8.230 nan 0.000 0.539 85 Y N 1.963 122.347 120.300 0.141 0.000 2.444 85 Y HA 0.522 5.076 4.550 0.006 0.000 0.249 85 Y C 0.233 176.201 175.900 0.113 0.000 1.134 85 Y CA -0.369 57.787 58.100 0.094 0.000 1.261 85 Y CB 0.036 38.608 38.460 0.186 0.000 1.143 85 Y HN 0.518 nan 8.280 nan 0.000 0.523 86 D N 0.534 120.859 120.400 -0.125 0.000 2.836 86 D HA 0.450 5.093 4.640 0.006 0.000 0.215 86 D C -1.655 174.751 176.300 0.177 0.000 1.255 86 D CA -0.360 53.652 54.000 0.020 0.000 0.822 86 D CB 1.891 42.608 40.800 -0.139 0.000 1.656 86 D HN 0.182 nan 8.370 nan 0.000 0.511 87 I N 2.101 122.801 120.570 0.217 0.000 2.466 87 I HA 0.351 4.525 4.170 0.006 0.000 0.289 87 I C -0.397 175.855 176.117 0.224 0.000 1.026 87 I CA -0.691 60.729 61.300 0.200 0.000 1.078 87 I CB 2.178 40.227 38.000 0.081 0.000 1.249 87 I HN 0.211 nan 8.210 nan 0.000 0.429 88 E N 8.030 128.392 120.200 0.269 0.000 2.176 88 E HA 0.445 4.798 4.350 0.006 0.000 0.267 88 E C -2.506 174.230 176.600 0.227 0.000 0.893 88 E CA -2.128 54.417 56.400 0.243 0.000 0.761 88 E CB 2.165 32.051 29.700 0.309 0.000 1.133 88 E HN 0.222 nan 8.360 nan 0.000 0.409 89 P HA 0.031 nan 4.420 nan 0.000 0.275 89 P C -0.524 176.757 177.300 -0.032 0.000 1.228 89 P CA -0.295 62.828 63.100 0.039 0.000 0.786 89 P CB 0.994 32.717 31.700 0.038 0.000 0.927 90 V N 5.134 124.965 119.914 -0.138 0.000 2.385 90 V HA 0.210 4.334 4.120 0.006 0.000 0.269 90 V C -1.727 174.320 176.094 -0.078 0.000 1.043 90 V CA -1.760 60.491 62.300 -0.082 0.000 0.906 90 V CB 0.673 32.446 31.823 -0.084 0.000 0.995 90 V HN 0.575 nan 8.190 nan 0.000 0.467 91 P HA 0.253 nan 4.420 nan 0.000 0.271 91 P C 0.824 178.104 177.300 -0.032 0.000 1.220 91 P CA 0.814 63.894 63.100 -0.034 0.000 0.768 91 P CB 1.110 32.797 31.700 -0.022 0.000 0.848 92 G N 1.631 110.411 108.800 -0.033 0.000 2.176 92 G HA2 -0.145 3.819 3.960 0.006 0.000 0.232 92 G HA3 -0.145 3.819 3.960 0.006 0.000 0.232 92 G C -0.193 174.687 174.900 -0.034 0.000 0.986 92 G CA -0.331 44.754 45.100 -0.025 0.000 0.643 92 G HN 0.566 nan 8.290 nan 0.000 0.522 93 E N 0.493 120.657 120.200 -0.060 0.000 2.256 93 E HA 0.351 4.705 4.350 0.006 0.000 0.268 93 E C -0.109 176.424 176.600 -0.111 0.000 0.877 93 E CA -0.693 55.660 56.400 -0.079 0.000 0.757 93 E CB 1.545 31.186 29.700 -0.098 0.000 1.183 93 E HN 0.152 nan 8.360 nan 0.000 0.418 94 D N 0.975 121.327 120.400 -0.081 0.000 2.183 94 D HA -0.105 4.539 4.640 0.006 0.000 0.203 94 D C 0.732 176.967 176.300 -0.108 0.000 0.969 94 D CA 1.003 54.960 54.000 -0.072 0.000 0.842 94 D CB 0.385 41.168 40.800 -0.029 0.000 0.957 94 D HN 0.242 nan 8.370 nan 0.000 0.484 95 N N -0.149 118.478 118.700 -0.123 0.000 2.466 95 N HA 0.042 4.786 4.740 0.006 0.000 0.272 95 N C -1.072 174.355 175.510 -0.138 0.000 1.455 95 N CA -0.047 52.955 53.050 -0.081 0.000 0.875 95 N CB 0.666 39.166 38.487 0.023 0.000 1.372 95 N HN -0.039 nan 8.380 nan 0.000 0.492 96 Q N 0.195 119.783 119.800 -0.353 0.000 2.342 96 Q HA 0.430 4.774 4.340 0.006 0.000 0.267 96 Q C -1.441 174.216 176.000 -0.571 0.000 1.038 96 Q CA -0.675 54.968 55.803 -0.267 0.000 0.832 96 Q CB 1.929 30.592 28.738 -0.126 0.000 1.323 96 Q HN 0.220 nan 8.270 nan 0.000 0.448 97 Y N 0.885 121.181 120.300 -0.006 0.000 2.534 97 Y HA 0.402 4.955 4.550 0.006 0.000 0.345 97 Y C -0.444 175.443 175.900 -0.021 0.000 1.031 97 Y CA -1.106 56.990 58.100 -0.006 0.000 1.022 97 Y CB 1.378 39.826 38.460 -0.020 0.000 1.292 97 Y HN 0.414 nan 8.280 nan 0.000 0.459 98 I N 2.781 123.430 120.570 0.132 0.000 2.301 98 I HA 0.450 4.623 4.170 0.006 0.000 0.292 98 I C 0.196 176.284 176.117 -0.050 0.000 1.046 98 I CA -0.640 60.650 61.300 -0.017 0.000 1.282 98 I CB 0.320 38.295 38.000 -0.042 0.000 1.409 98 I HN 0.698 nan 8.210 nan 0.000 0.484 99 A N 7.433 130.195 122.820 -0.096 0.000 2.290 99 A HA 0.633 4.957 4.320 0.006 0.000 0.310 99 A C -1.197 176.286 177.584 -0.168 0.000 1.202 99 A CA -0.342 51.659 52.037 -0.060 0.000 0.837 99 A CB 0.344 19.323 19.000 -0.035 0.000 1.139 99 A HN 0.549 nan 8.150 nan 0.000 0.509 100 Y N 1.555 121.801 120.300 -0.090 0.000 2.331 100 Y HA 0.489 5.043 4.550 0.005 0.000 0.338 100 Y C -0.003 175.730 175.900 -0.279 0.000 0.976 100 Y CA -0.407 57.568 58.100 -0.209 0.000 1.137 100 Y CB 1.998 40.109 38.460 -0.581 0.000 1.172 100 Y HN 0.404 nan 8.280 nan 0.000 0.478 101 V N 3.047 123.066 119.914 0.176 0.000 2.540 101 V HA 0.791 4.915 4.120 0.006 0.000 0.302 101 V C -0.350 175.856 176.094 0.186 0.000 1.035 101 V CA -1.070 61.299 62.300 0.115 0.000 0.873 101 V CB 1.619 33.446 31.823 0.007 0.000 0.992 101 V HN 0.839 nan 8.190 nan 0.000 0.428 102 A N 4.243 127.152 122.820 0.148 0.000 2.288 102 A HA 0.875 5.198 4.320 0.006 0.000 0.320 102 A C -1.223 176.239 177.584 -0.203 0.000 1.217 102 A CA -0.323 51.750 52.037 0.060 0.000 0.840 102 A CB 0.507 19.587 19.000 0.134 0.000 1.179 102 A HN 0.725 nan 8.150 nan 0.000 0.504 106 D N 1.597 122.081 120.400 0.140 0.000 2.351 106 D HA -0.018 4.626 4.640 0.006 0.000 0.216 106 D C 1.984 178.328 176.300 0.075 0.000 0.968 106 D CA 1.162 55.246 54.000 0.139 0.000 0.899 106 D CB 0.075 40.994 40.800 0.199 0.000 0.907 106 D HN 0.431 nan 8.370 nan 0.000 0.514 107 L N -0.908 120.269 121.223 -0.077 0.000 2.395 107 L HA 0.050 4.394 4.340 0.006 0.000 0.218 107 L C 0.108 176.615 176.870 -0.606 0.000 1.130 107 L CA 0.311 54.904 54.840 -0.412 0.000 0.826 107 L CB -0.048 41.588 42.059 -0.706 0.000 0.941 107 L HN -0.104 nan 8.230 nan 0.000 0.451 108 F N -0.359 119.557 119.950 -0.056 0.000 2.469 108 F HA 0.291 4.821 4.527 0.006 0.000 0.332 108 F C 0.637 176.474 175.800 0.062 0.000 1.103 108 F CA -1.111 56.852 58.000 -0.061 0.000 0.979 108 F CB 1.088 39.884 39.000 -0.340 0.000 1.137 108 F HN -0.187 nan 8.300 nan 0.000 0.463 109 E N 2.140 122.501 120.200 0.268 0.000 2.299 109 E HA 0.074 4.428 4.350 0.006 0.000 0.272 109 E C -0.674 176.073 176.600 0.244 0.000 1.043 109 E CA -0.466 56.050 56.400 0.194 0.000 0.895 109 E CB 0.452 30.220 29.700 0.114 0.000 1.011 109 E HN 0.502 nan 8.360 nan 0.000 0.432 110 E N 2.797 123.083 120.200 0.144 0.000 2.652 110 E HA 0.077 4.431 4.350 0.006 0.000 0.255 110 E C 0.995 177.370 176.600 -0.375 0.000 0.952 110 E CA 1.460 57.828 56.400 -0.054 0.000 0.947 110 E CB 0.352 30.022 29.700 -0.050 0.000 0.912 110 E HN 0.822 nan 8.360 nan 0.000 0.489 111 G N 2.576 110.746 108.800 -1.052 0.000 2.184 111 G HA2 -0.333 3.630 3.960 0.006 0.000 0.264 111 G HA3 -0.333 3.630 3.960 0.006 0.000 0.264 111 G C 0.362 174.785 174.900 -0.794 0.000 0.975 111 G CA 0.424 44.715 45.100 -1.349 0.000 0.642 111 G HN 0.600 nan 8.290 nan 0.000 0.536 112 S N -0.359 115.114 115.700 -0.379 0.000 2.520 112 S HA 0.558 5.031 4.470 0.006 0.000 0.324 112 S C 1.461 176.240 174.600 0.298 0.000 1.069 112 S CA 0.101 58.333 58.200 0.053 0.000 1.121 112 S CB 1.386 64.630 63.200 0.073 0.000 0.971 112 S HN 0.572 nan 8.310 nan 0.000 0.463 113 V N 5.006 125.104 119.914 0.307 0.000 2.427 113 V HA -0.103 4.020 4.120 0.006 0.000 0.248 113 V C 2.572 178.627 176.094 -0.065 0.000 1.051 113 V CA 2.274 64.609 62.300 0.059 0.000 1.048 113 V CB -1.065 30.553 31.823 -0.341 0.000 0.666 113 V HN 0.857 nan 8.190 nan 0.000 0.456 114 T N 0.306 114.850 114.554 -0.016 0.000 2.653 114 T HA -0.291 4.063 4.350 0.006 0.000 0.268 114 T C 1.926 176.715 174.700 0.148 0.000 1.035 114 T CA 2.121 64.260 62.100 0.064 0.000 1.154 114 T CB -0.506 68.430 68.868 0.113 0.000 0.862 114 T HN 0.571 nan 8.240 nan 0.000 0.441 115 N N 0.426 119.232 118.700 0.177 0.000 2.188 115 N HA -0.068 4.675 4.740 0.006 0.000 0.184 115 N C 2.110 177.791 175.510 0.285 0.000 1.018 115 N CA 1.107 54.279 53.050 0.203 0.000 0.858 115 N CB -0.226 38.380 38.487 0.199 0.000 0.989 115 N HN 0.405 nan 8.380 nan 0.000 0.426 116 M N -0.302 119.518 119.600 0.366 0.000 2.080 116 M HA -0.180 4.303 4.480 0.006 0.000 0.260 116 M C 1.528 177.965 176.300 0.230 0.000 1.068 116 M CA 1.581 57.092 55.300 0.353 0.000 1.109 116 M CB -0.159 32.581 32.600 0.232 0.000 1.342 116 M HN 0.046 nan 8.290 nan 0.000 0.405 117 F N 0.286 120.241 119.950 0.009 0.000 2.146 117 F HA -0.156 4.373 4.527 0.005 0.000 0.298 117 F C 2.502 178.327 175.800 0.043 0.000 1.096 117 F CA 1.818 59.816 58.000 -0.003 0.000 1.275 117 F CB -1.119 37.858 39.000 -0.039 0.000 1.008 117 F HN 0.163 nan 8.300 nan 0.000 0.480 118 T N -1.093 113.603 114.554 0.237 0.000 2.720 118 T HA -0.189 4.164 4.350 0.006 0.000 0.268 118 T C 2.311 177.068 174.700 0.096 0.000 1.037 118 T CA 1.773 63.963 62.100 0.150 0.000 1.144 118 T CB -0.435 68.505 68.868 0.121 0.000 0.864 118 T HN 0.155 nan 8.240 nan 0.000 0.444 119 S N 0.752 116.492 115.700 0.068 0.000 2.335 119 S HA 0.097 4.571 4.470 0.006 0.000 0.217 119 S C 2.079 176.681 174.600 0.003 0.000 1.032 119 S CA 0.795 58.992 58.200 -0.006 0.000 0.985 119 S CB -0.311 62.816 63.200 -0.122 0.000 0.896 119 S HN 0.397 nan 8.310 nan 0.000 0.445 120 I N 1.486 122.038 120.570 -0.030 0.000 2.315 120 I HA -0.077 4.097 4.170 0.006 0.000 0.248 120 I C 1.724 177.966 176.117 0.208 0.000 1.117 120 I CA 1.051 62.348 61.300 -0.006 0.000 1.404 120 I CB -0.132 37.761 38.000 -0.179 0.000 1.071 120 I HN 0.255 nan 8.210 nan 0.000 0.419 121 V N -2.893 117.099 119.914 0.129 0.000 3.276 121 V HA 0.454 4.578 4.120 0.006 0.000 0.319 121 V C 1.690 177.890 176.094 0.176 0.000 1.427 121 V CA 0.317 62.755 62.300 0.230 0.000 1.102 121 V CB -0.396 31.383 31.823 -0.074 0.000 1.020 121 V HN 0.243 nan 8.190 nan 0.000 0.456 122 G N 1.836 110.732 108.800 0.160 0.000 2.453 122 G HA2 -0.178 3.786 3.960 0.006 0.000 0.215 122 G HA3 -0.178 3.786 3.960 0.006 0.000 0.215 122 G C 1.228 176.226 174.900 0.162 0.000 1.201 122 G CA 1.405 46.587 45.100 0.138 0.000 0.784 122 G HN 0.557 nan 8.290 nan 0.000 0.545 123 N N -0.469 118.348 118.700 0.196 0.000 2.297 123 N HA 0.004 4.748 4.740 0.006 0.000 0.208 123 N C 2.283 177.992 175.510 0.332 0.000 1.176 123 N CA 0.882 54.076 53.050 0.240 0.000 0.882 123 N CB 0.393 39.024 38.487 0.239 0.000 1.134 123 N HN 0.286 nan 8.380 nan 0.000 0.489 124 V N -0.987 119.065 119.914 0.231 0.000 2.594 124 V HA -0.089 4.034 4.120 0.006 0.000 0.253 124 V C 1.706 177.858 176.094 0.097 0.000 1.069 124 V CA 1.336 63.646 62.300 0.016 0.000 1.082 124 V CB -1.206 30.407 31.823 -0.350 0.000 0.680 124 V HN -0.070 nan 8.190 nan 0.000 0.469 125 F N 2.405 122.400 119.950 0.075 0.000 2.604 125 F HA 0.287 4.817 4.527 0.005 0.000 0.298 125 F C 2.322 178.242 175.800 0.200 0.000 1.131 125 F CA 1.072 59.136 58.000 0.108 0.000 1.457 125 F CB -0.718 38.326 39.000 0.073 0.000 1.095 125 F HN 0.333 nan 8.300 nan 0.000 0.574 126 G N -1.651 107.361 108.800 0.354 0.000 3.126 126 G HA2 0.015 3.978 3.960 0.006 0.000 0.224 126 G HA3 0.015 3.978 3.960 0.006 0.000 0.224 126 G C 0.203 175.196 174.900 0.156 0.000 1.142 126 G CA -0.237 44.998 45.100 0.224 0.000 0.759 126 G HN 0.024 nan 8.290 nan 0.000 0.550 127 F N 1.617 121.579 119.950 0.019 0.000 2.602 127 F HA 0.154 4.684 4.527 0.005 0.000 0.385 127 F C 1.785 177.579 175.800 -0.011 0.000 1.063 127 F CA 0.261 58.251 58.000 -0.016 0.000 1.233 127 F CB 0.987 39.946 39.000 -0.068 0.000 1.067 127 F HN -0.038 nan 8.300 nan 0.000 0.564 128 K N 2.804 123.211 120.400 0.012 0.000 2.152 128 K HA -0.176 4.147 4.320 0.006 0.000 0.206 128 K C 1.978 178.617 176.600 0.065 0.000 1.048 128 K CA 1.286 57.581 56.287 0.015 0.000 0.933 128 K CB -0.152 32.324 32.500 -0.041 0.000 0.721 128 K HN 0.717 nan 8.250 nan 0.000 0.447 129 A N 1.160 124.056 122.820 0.126 0.000 2.168 129 A HA 0.000 4.324 4.320 0.006 0.000 0.215 129 A C 0.761 178.383 177.584 0.063 0.000 1.152 129 A CA 0.570 52.670 52.037 0.105 0.000 0.716 129 A CB -0.500 18.591 19.000 0.151 0.000 0.794 129 A HN 0.238 nan 8.150 nan 0.000 0.465 130 L N -5.901 115.365 121.223 0.072 0.000 2.319 130 L HA 0.687 5.031 4.340 0.006 0.000 0.267 130 L C 0.605 177.508 176.870 0.056 0.000 1.011 130 L CA -0.802 54.060 54.840 0.037 0.000 0.818 130 L CB 1.304 43.353 42.059 -0.017 0.000 1.316 130 L HN -0.037 nan 8.230 nan 0.000 0.432 131 R N 1.051 121.583 120.500 0.054 0.000 2.206 131 R HA 0.686 5.029 4.340 0.006 0.000 0.198 131 R C -0.077 176.276 176.300 0.089 0.000 0.986 131 R CA 0.612 56.746 56.100 0.056 0.000 1.029 131 R CB 0.536 30.863 30.300 0.044 0.000 0.966 131 R HN 0.846 nan 8.270 nan 0.000 0.487 132 A N 0.829 123.726 122.820 0.129 0.000 2.605 132 A HA 0.588 4.911 4.320 0.006 0.000 0.294 132 A C -2.101 175.577 177.584 0.156 0.000 1.062 132 A CA -0.629 51.572 52.037 0.274 0.000 0.682 132 A CB 1.647 20.779 19.000 0.220 0.000 1.278 132 A HN 0.042 nan 8.150 nan 0.000 0.410 133 L N 0.751 122.049 121.223 0.125 0.000 2.482 133 L HA 0.806 5.149 4.340 0.006 0.000 0.263 133 L C -0.629 176.132 176.870 -0.181 0.000 0.957 133 L CA -0.133 54.575 54.840 -0.221 0.000 0.836 133 L CB 1.960 43.614 42.059 -0.675 0.000 1.324 133 L HN 0.829 nan 8.230 nan 0.000 0.406 134 R N 4.007 124.496 120.500 -0.017 0.000 2.532 134 R HA 0.545 4.889 4.340 0.006 0.000 0.297 134 R C -1.781 174.592 176.300 0.120 0.000 0.984 134 R CA -0.906 55.275 56.100 0.135 0.000 0.884 134 R CB 1.722 32.086 30.300 0.107 0.000 1.182 134 R HN 0.675 nan 8.270 nan 0.000 0.442 135 L N 4.603 125.943 121.223 0.194 0.000 2.325 135 L HA 0.203 4.546 4.340 0.006 0.000 0.284 135 L C 0.820 177.600 176.870 -0.150 0.000 1.089 135 L CA 0.567 55.341 54.840 -0.110 0.000 0.836 135 L CB 1.012 43.014 42.059 -0.095 0.000 1.184 135 L HN 0.701 nan 8.230 nan 0.000 0.444 136 E N 2.228 122.226 120.200 -0.336 0.000 2.140 136 E HA 0.080 4.433 4.350 0.006 0.000 0.191 136 E C -0.188 176.186 176.600 -0.377 0.000 0.973 136 E CA 0.566 56.721 56.400 -0.408 0.000 0.829 136 E CB 0.376 29.553 29.700 -0.870 0.000 0.781 136 E HN 0.680 nan 8.360 nan 0.000 0.466 137 D N -1.152 119.020 120.400 -0.380 0.000 2.623 137 D HA 0.389 5.032 4.640 0.006 0.000 0.241 137 D C -1.493 174.839 176.300 0.054 0.000 1.241 137 D CA -0.475 53.458 54.000 -0.112 0.000 0.788 137 D CB 1.460 42.210 40.800 -0.083 0.000 1.413 137 D HN -0.151 nan 8.370 nan 0.000 0.429 138 L N 1.491 122.776 121.223 0.104 0.000 2.410 138 L HA 0.487 4.831 4.340 0.006 0.000 0.270 138 L C -0.142 176.679 176.870 -0.081 0.000 0.983 138 L CA -0.895 53.935 54.840 -0.018 0.000 0.822 138 L CB 2.158 44.132 42.059 -0.142 0.000 1.285 138 L HN 0.173 nan 8.230 nan 0.000 0.409 139 R N 4.564 124.798 120.500 -0.442 0.000 2.235 139 R HA 0.333 4.676 4.340 0.006 0.000 0.338 139 R C -0.824 175.267 176.300 -0.349 0.000 1.087 139 R CA -0.617 55.211 56.100 -0.453 0.000 0.948 139 R CB 0.286 30.121 30.300 -0.775 0.000 1.099 139 R HN 0.423 nan 8.270 nan 0.000 0.483 140 I N 7.656 128.029 120.570 -0.329 0.000 2.322 140 I HA 0.244 4.417 4.170 0.006 0.000 0.292 140 I C -1.927 174.041 176.117 -0.248 0.000 1.060 140 I CA -2.865 58.271 61.300 -0.273 0.000 1.309 140 I CB 0.756 38.565 38.000 -0.318 0.000 1.415 140 I HN 0.235 nan 8.210 nan 0.000 0.492 141 P HA 0.221 nan 4.420 nan 0.000 0.275 141 P C -2.212 175.070 177.300 -0.029 0.000 1.228 141 P CA -1.468 61.580 63.100 -0.087 0.000 0.786 141 P CB 0.410 32.085 31.700 -0.042 0.000 0.927 142 P HA -0.253 nan 4.420 nan 0.000 0.218 142 P C 1.506 178.848 177.300 0.069 0.000 1.154 142 P CA 2.505 65.619 63.100 0.024 0.000 0.872 142 P CB -0.505 31.215 31.700 0.034 0.000 0.790 143 A N -2.352 120.515 122.820 0.078 0.000 2.019 143 A HA -0.228 4.096 4.320 0.006 0.000 0.219 143 A C 2.211 179.910 177.584 0.191 0.000 1.164 143 A CA 1.461 53.563 52.037 0.109 0.000 0.644 143 A CB -1.607 17.448 19.000 0.091 0.000 0.805 143 A HN 0.177 nan 8.150 nan 0.000 0.449 144 Y N -0.252 120.078 120.300 0.049 0.000 2.301 144 Y HA 0.014 4.567 4.550 0.004 0.000 0.295 144 Y C 2.361 178.406 175.900 0.243 0.000 1.119 144 Y CA 0.876 59.042 58.100 0.110 0.000 1.162 144 Y CB -0.296 38.186 38.460 0.036 0.000 1.046 144 Y HN 0.038 nan 8.280 nan 0.000 0.538 145 V N 0.981 120.973 119.914 0.128 0.000 2.278 145 V HA -0.374 3.750 4.120 0.006 0.000 0.251 145 V C 2.309 178.515 176.094 0.186 0.000 1.062 145 V CA 2.261 64.621 62.300 0.100 0.000 1.038 145 V CB -0.544 31.323 31.823 0.074 0.000 0.646 145 V HN 0.276 nan 8.190 nan 0.000 0.447 146 K N 0.410 120.889 120.400 0.130 0.000 2.360 146 K HA -0.113 4.211 4.320 0.006 0.000 0.201 146 K C 2.121 178.757 176.600 0.060 0.000 1.046 146 K CA 1.629 57.974 56.287 0.098 0.000 0.945 146 K CB -0.854 31.691 32.500 0.075 0.000 0.750 146 K HN 0.778 nan 8.250 nan 0.000 0.464 147 T N -1.784 112.779 114.554 0.016 0.000 3.118 147 T HA 0.021 4.375 4.350 0.006 0.000 0.260 147 T C 0.533 175.055 174.700 -0.297 0.000 1.139 147 T CA 0.037 62.041 62.100 -0.161 0.000 1.085 147 T CB -0.260 68.430 68.868 -0.297 0.000 0.934 147 T HN -0.155 nan 8.240 nan 0.000 0.518 148 F N 0.312 120.180 119.950 -0.137 0.000 2.422 148 F HA 0.542 5.074 4.527 0.009 0.000 0.333 148 F C 1.324 177.085 175.800 -0.065 0.000 1.095 148 F CA -1.409 56.523 58.000 -0.113 0.000 1.038 148 F CB 1.584 40.508 39.000 -0.126 0.000 1.156 148 F HN -0.269 nan 8.300 nan 0.000 0.483 149 V N 2.117 122.089 119.914 0.095 0.000 2.295 149 V HA 0.023 4.146 4.120 0.006 0.000 0.246 149 V C 1.352 177.474 176.094 0.046 0.000 1.049 149 V CA 1.576 63.901 62.300 0.041 0.000 1.024 149 V CB -1.302 30.525 31.823 0.006 0.000 0.648 149 V HN 1.156 nan 8.190 nan 0.000 0.447 153 H N -0.765 118.280 119.070 -0.042 0.000 2.089 153 H HA 0.478 5.038 4.556 0.007 0.000 0.206 153 H C 1.040 176.356 175.328 -0.020 0.000 0.872 153 H CA 1.140 57.173 56.048 -0.025 0.000 0.979 153 H CB 0.527 30.276 29.762 -0.021 0.000 1.266 153 H HN 0.285 nan 8.280 nan 0.000 0.389 154 G N 1.213 110.066 108.800 0.088 0.000 2.746 154 G HA2 -0.213 3.750 3.960 0.006 0.000 0.685 154 G HA3 -0.213 3.750 3.960 0.006 0.000 0.685 154 G C 0.791 175.733 174.900 0.070 0.000 1.350 154 G CA -0.026 45.097 45.100 0.038 0.000 0.837 154 G HN 0.197 nan 8.290 nan 0.000 0.564 155 I N 0.291 120.891 120.570 0.050 0.000 2.163 155 I HA -0.251 3.923 4.170 0.006 0.000 0.243 155 I C 2.945 179.111 176.117 0.081 0.000 1.085 155 I CA 2.426 63.766 61.300 0.067 0.000 1.347 155 I CB -0.238 37.791 38.000 0.049 0.000 1.044 155 I HN 0.770 nan 8.210 nan 0.000 0.408 156 Q N 1.071 120.919 119.800 0.080 0.000 2.020 156 Q HA -0.192 4.151 4.340 0.006 0.000 0.202 156 Q C 2.353 178.416 176.000 0.105 0.000 0.982 156 Q CA 2.296 58.159 55.803 0.100 0.000 0.838 156 Q CB -0.099 28.691 28.738 0.085 0.000 0.899 156 Q HN 0.384 nan 8.270 nan 0.000 0.423 157 V N 1.524 121.495 119.914 0.095 0.000 2.343 157 V HA -0.253 3.870 4.120 0.006 0.000 0.247 157 V C 2.387 178.517 176.094 0.060 0.000 1.051 157 V CA 2.221 64.578 62.300 0.094 0.000 1.036 157 V CB -0.811 31.092 31.823 0.134 0.000 0.654 157 V HN 0.514 nan 8.190 nan 0.000 0.451 158 E N 0.402 120.640 120.200 0.063 0.000 2.038 158 E HA -0.262 4.091 4.350 0.006 0.000 0.195 158 E C 2.486 179.101 176.600 0.026 0.000 1.000 158 E CA 1.507 57.931 56.400 0.039 0.000 0.803 158 E CB -0.120 29.638 29.700 0.097 0.000 0.750 158 E HN 0.488 nan 8.360 nan 0.000 0.448 159 R N 0.354 120.866 120.500 0.020 0.000 2.091 159 R HA -0.153 4.191 4.340 0.006 0.000 0.238 159 R C 2.070 178.259 176.300 -0.185 0.000 1.136 159 R CA 1.647 57.682 56.100 -0.109 0.000 0.959 159 R CB -0.288 29.988 30.300 -0.040 0.000 0.856 159 R HN 0.322 nan 8.270 nan 0.000 0.437 160 D N 0.462 120.884 120.400 0.037 0.000 2.097 160 D HA -0.132 4.512 4.640 0.006 0.000 0.195 160 D C 1.828 178.153 176.300 0.041 0.000 0.989 160 D CA 1.187 55.260 54.000 0.123 0.000 0.827 160 D CB -0.052 40.838 40.800 0.151 0.000 0.966 160 D HN 0.148 nan 8.370 nan 0.000 0.456 161 K N 0.254 120.657 120.400 0.005 0.000 2.097 161 K HA -0.006 4.318 4.320 0.006 0.000 0.205 161 K C 2.234 178.824 176.600 -0.017 0.000 1.050 161 K CA 0.424 56.704 56.287 -0.012 0.000 0.938 161 K CB -0.104 32.362 32.500 -0.057 0.000 0.718 161 K HN 0.244 nan 8.250 nan 0.000 0.442 162 L N 0.454 121.651 121.223 -0.042 0.000 2.492 162 L HA 0.025 4.369 4.340 0.006 0.000 0.223 162 L C 0.632 177.428 176.870 -0.123 0.000 1.132 162 L CA 0.044 54.851 54.840 -0.055 0.000 0.850 162 L CB -0.510 41.532 42.059 -0.028 0.000 0.966 162 L HN 0.386 nan 8.230 nan 0.000 0.454 163 N N 1.358 119.948 118.700 -0.185 0.000 2.740 163 N HA -0.189 4.555 4.740 0.006 0.000 0.248 163 N C -0.533 174.739 175.510 -0.397 0.000 1.062 163 N CA 0.421 53.343 53.050 -0.214 0.000 0.704 163 N CB -0.379 38.103 38.487 -0.010 0.000 0.968 163 N HN 0.362 nan 8.380 nan 0.000 0.547 164 K N 1.600 121.572 120.400 -0.713 0.000 2.535 164 K HA 0.359 4.682 4.320 0.006 0.000 0.253 164 K C -1.484 174.739 176.600 -0.629 0.000 0.953 164 K CA -0.342 55.655 56.287 -0.483 0.000 0.863 164 K CB 1.003 33.350 32.500 -0.255 0.000 1.111 164 K HN 0.112 nan 8.250 nan 0.000 0.431 165 Y N -0.485 119.825 120.300 0.015 0.000 2.524 165 Y HA 0.449 5.003 4.550 0.006 0.000 0.347 165 Y C 1.011 176.920 175.900 0.015 0.000 1.005 165 Y CA -0.852 57.259 58.100 0.019 0.000 1.025 165 Y CB 2.558 41.029 38.460 0.018 0.000 1.275 165 Y HN 0.753 nan 8.280 nan 0.000 0.460 166 G N 1.648 110.558 108.800 0.183 0.000 2.141 166 G HA2 -0.175 3.788 3.960 0.006 0.000 0.231 166 G HA3 -0.175 3.788 3.960 0.006 0.000 0.231 166 G C -0.271 174.672 174.900 0.071 0.000 0.984 166 G CA 0.103 45.270 45.100 0.110 0.000 0.660 166 G HN 0.909 nan 8.290 nan 0.000 0.525 167 R N -1.407 119.131 120.500 0.063 0.000 2.712 167 R HA 0.633 4.977 4.340 0.006 0.000 0.272 167 R C 0.389 176.713 176.300 0.040 0.000 1.032 167 R CA -0.513 55.615 56.100 0.046 0.000 0.874 167 R CB 0.144 30.463 30.300 0.031 0.000 1.256 167 R HN 0.998 nan 8.270 nan 0.000 0.468 168 G N 1.391 110.216 108.800 0.042 0.000 2.614 168 G HA2 0.338 4.301 3.960 0.006 0.000 0.239 168 G HA3 0.338 4.301 3.960 0.006 0.000 0.239 168 G C -0.111 174.802 174.900 0.023 0.000 1.240 168 G CA -0.823 44.296 45.100 0.032 0.000 0.842 168 G HN 0.390 nan 8.290 nan 0.000 0.584 169 L N 0.154 121.390 121.223 0.023 0.000 2.418 169 L HA 0.434 4.778 4.340 0.006 0.000 0.265 169 L C 0.256 177.163 176.870 0.062 0.000 1.143 169 L CA -0.485 54.380 54.840 0.040 0.000 0.809 169 L CB 0.985 43.129 42.059 0.141 0.000 1.124 169 L HN 0.214 nan 8.230 nan 0.000 0.456 170 L N 1.336 122.591 121.223 0.055 0.000 2.341 170 L HA 0.753 5.097 4.340 0.006 0.000 0.278 170 L C 0.181 177.118 176.870 0.111 0.000 1.005 170 L CA -0.266 54.635 54.840 0.102 0.000 0.818 170 L CB 1.886 43.987 42.059 0.070 0.000 1.259 170 L HN 0.754 nan 8.230 nan 0.000 0.418 171 G N 0.760 109.644 108.800 0.140 0.000 2.866 171 G HA2 0.656 4.619 3.960 0.006 0.000 0.289 171 G HA3 0.656 4.619 3.960 0.006 0.000 0.289 171 G C -1.707 173.234 174.900 0.068 0.000 1.396 171 G CA -0.438 44.714 45.100 0.087 0.000 0.848 171 G HN 0.444 nan 8.290 nan 0.000 0.515 172 S N -1.371 114.320 115.700 -0.015 0.000 2.548 172 S HA 0.604 5.077 4.470 0.006 0.000 0.278 172 S C -0.759 173.812 174.600 -0.048 0.000 1.150 172 S CA -0.496 57.709 58.200 0.008 0.000 0.907 172 S CB 1.397 64.620 63.200 0.039 0.000 1.108 172 S HN 0.748 nan 8.310 nan 0.000 0.459 173 T N 5.200 119.747 114.554 -0.011 0.000 2.856 173 T HA 0.432 4.786 4.350 0.006 0.000 0.292 173 T C 0.303 175.002 174.700 -0.002 0.000 0.980 173 T CA -0.547 61.554 62.100 0.002 0.000 1.091 173 T CB 0.268 69.168 68.868 0.052 0.000 0.936 173 T HN 0.534 nan 8.240 nan 0.000 0.503 174 I N 3.627 124.182 120.570 -0.025 0.000 2.588 174 I HA 0.267 4.441 4.170 0.006 0.000 0.283 174 I C 0.634 176.720 176.117 -0.051 0.000 1.119 174 I CA -0.063 61.154 61.300 -0.139 0.000 1.419 174 I CB 0.060 37.737 38.000 -0.539 0.000 1.394 174 I HN 0.452 nan 8.210 nan 0.000 0.562 175 K N 6.290 126.661 120.400 -0.048 0.000 2.443 175 K HA 0.556 4.880 4.320 0.006 0.000 0.251 175 K C -2.469 174.126 176.600 -0.008 0.000 0.972 175 K CA -1.607 54.684 56.287 0.005 0.000 0.833 175 K CB 1.667 34.185 32.500 0.030 0.000 1.317 175 K HN 0.288 nan 8.250 nan 0.000 0.441 176 P HA 0.106 nan 4.420 nan 0.000 0.269 176 P C 0.303 177.627 177.300 0.039 0.000 1.217 176 P CA -0.103 63.004 63.100 0.013 0.000 0.783 176 P CB 0.846 32.536 31.700 -0.016 0.000 0.898 177 K N 0.138 120.562 120.400 0.040 0.000 2.020 177 K HA -0.087 4.236 4.320 0.006 0.000 0.212 177 K C 0.767 177.424 176.600 0.094 0.000 1.050 177 K CA 1.303 57.635 56.287 0.075 0.000 0.929 177 K CB -0.286 32.243 32.500 0.048 0.000 0.714 177 K HN 0.400 nan 8.250 nan 0.000 0.443 178 L N -2.347 118.856 121.223 -0.033 0.000 2.350 178 L HA 0.432 4.776 4.340 0.006 0.000 0.260 178 L C 0.750 177.275 176.870 -0.575 0.000 1.015 178 L CA -0.377 54.305 54.840 -0.264 0.000 0.821 178 L CB 2.268 44.218 42.059 -0.181 0.000 1.370 178 L HN 0.417 nan 8.230 nan 0.000 0.416 179 G N 0.891 108.867 108.800 -1.373 0.000 2.238 179 G HA2 -0.184 3.780 3.960 0.006 0.000 0.217 179 G HA3 -0.184 3.780 3.960 0.006 0.000 0.217 179 G C -0.114 174.589 174.900 -0.329 0.000 0.996 179 G CA -0.554 44.040 45.100 -0.844 0.000 0.632 179 G HN 0.316 nan 8.290 nan 0.000 0.503 180 L N 2.642 123.807 121.223 -0.096 0.000 2.349 180 L HA 0.514 4.857 4.340 0.006 0.000 0.275 180 L C 1.556 178.606 176.870 0.300 0.000 1.115 180 L CA 0.069 54.999 54.840 0.150 0.000 0.820 180 L CB 1.348 43.564 42.059 0.261 0.000 1.135 180 L HN 0.500 nan 8.230 nan 0.000 0.445 181 S N 2.069 117.893 115.700 0.206 0.000 2.600 181 S HA 0.235 4.709 4.470 0.006 0.000 0.265 181 S C 1.129 175.831 174.600 0.170 0.000 1.325 181 S CA -0.124 58.185 58.200 0.181 0.000 1.002 181 S CB 1.483 64.730 63.200 0.079 0.000 0.921 181 S HN 0.705 nan 8.310 nan 0.000 0.554 182 A N 1.420 124.314 122.820 0.124 0.000 1.908 182 A HA -0.116 4.208 4.320 0.006 0.000 0.218 182 A C 2.119 179.669 177.584 -0.056 0.000 1.181 182 A CA 2.091 54.218 52.037 0.151 0.000 0.627 182 A CB -1.051 18.121 19.000 0.286 0.000 0.818 182 A HN 0.931 nan 8.150 nan 0.000 0.445 183 K N 0.233 120.360 120.400 -0.454 0.000 2.026 183 K HA -0.113 4.211 4.320 0.006 0.000 0.208 183 K C 1.700 178.110 176.600 -0.317 0.000 1.048 183 K CA 1.851 57.620 56.287 -0.863 0.000 0.929 183 K CB -0.283 31.761 32.500 -0.761 0.000 0.713 183 K HN 0.418 nan 8.250 nan 0.000 0.439 184 N N -0.481 118.149 118.700 -0.116 0.000 2.244 184 N HA -0.142 4.601 4.740 0.006 0.000 0.183 184 N C 1.559 177.090 175.510 0.036 0.000 1.016 184 N CA 0.970 54.007 53.050 -0.022 0.000 0.866 184 N CB -0.333 38.162 38.487 0.014 0.000 0.980 184 N HN 0.235 nan 8.380 nan 0.000 0.430 185 Y N 1.345 121.636 120.300 -0.015 0.000 2.097 185 Y HA -0.170 4.384 4.550 0.006 0.000 0.282 185 Y C 2.465 178.366 175.900 0.002 0.000 1.152 185 Y CA 2.003 60.119 58.100 0.027 0.000 1.136 185 Y CB -0.663 37.843 38.460 0.077 0.000 0.975 185 Y HN 0.076 nan 8.280 nan 0.000 0.498 186 G N -0.778 108.114 108.800 0.153 0.000 2.408 186 G HA2 -0.268 3.696 3.960 0.006 0.000 0.217 186 G HA3 -0.268 3.696 3.960 0.006 0.000 0.217 186 G C 1.733 176.681 174.900 0.081 0.000 1.150 186 G CA 0.761 45.926 45.100 0.108 0.000 0.776 186 G HN 0.341 nan 8.290 nan 0.000 0.542 187 R N 0.605 121.130 120.500 0.041 0.000 2.080 187 R HA -0.046 4.297 4.340 0.006 0.000 0.236 187 R C 2.814 179.156 176.300 0.070 0.000 1.137 187 R CA 1.739 57.885 56.100 0.077 0.000 0.943 187 R CB -0.487 29.825 30.300 0.020 0.000 0.846 187 R HN 0.254 nan 8.270 nan 0.000 0.431 188 A N 0.278 123.092 122.820 -0.010 0.000 1.933 188 A HA -0.100 4.224 4.320 0.006 0.000 0.218 188 A C 2.302 179.852 177.584 -0.056 0.000 1.175 188 A CA 1.632 53.635 52.037 -0.057 0.000 0.628 188 A CB -0.509 18.412 19.000 -0.132 0.000 0.814 188 A HN 0.261 nan 8.150 nan 0.000 0.444 189 V N -1.180 118.708 119.914 -0.044 0.000 2.295 189 V HA -0.279 3.845 4.120 0.006 0.000 0.246 189 V C 2.392 178.510 176.094 0.040 0.000 1.049 189 V CA 2.135 64.432 62.300 -0.006 0.000 1.024 189 V CB -1.052 30.744 31.823 -0.044 0.000 0.648 189 V HN 0.761 nan 8.190 nan 0.000 0.447 190 Y N 1.530 121.816 120.300 -0.022 0.000 2.181 190 Y HA -0.204 4.349 4.550 0.006 0.000 0.288 190 Y C 2.530 178.425 175.900 -0.008 0.000 1.146 190 Y CA 1.876 59.971 58.100 -0.007 0.000 1.164 190 Y CB -0.348 38.115 38.460 0.006 0.000 0.982 190 Y HN 0.285 nan 8.280 nan 0.000 0.515 191 E N -0.359 119.617 120.200 -0.372 0.000 2.110 191 E HA -0.209 4.145 4.350 0.006 0.000 0.193 191 E C 2.485 178.927 176.600 -0.263 0.000 0.988 191 E CA 1.396 57.544 56.400 -0.419 0.000 0.804 191 E CB -0.914 28.669 29.700 -0.194 0.000 0.745 191 E HN 0.554 nan 8.360 nan 0.000 0.458 192 C N 0.817 120.026 119.300 -0.152 0.000 2.436 192 C HA -0.085 4.379 4.460 0.006 0.000 0.277 192 C C 2.891 177.818 174.990 -0.104 0.000 1.241 192 C CA 0.415 59.374 59.018 -0.099 0.000 1.721 192 C CB -1.146 26.564 27.740 -0.049 0.000 2.043 192 C HN 0.361 nan 8.230 nan 0.000 0.472 193 L N 1.159 122.327 121.223 -0.093 0.000 2.083 193 L HA -0.150 4.194 4.340 0.006 0.000 0.209 193 L C 2.889 179.701 176.870 -0.096 0.000 1.083 193 L CA 1.742 56.539 54.840 -0.070 0.000 0.752 193 L CB -0.734 41.317 42.059 -0.014 0.000 0.899 193 L HN 0.488 nan 8.230 nan 0.000 0.433 194 R N 0.423 120.818 120.500 -0.175 0.000 2.237 194 R HA -0.057 4.287 4.340 0.006 0.000 0.219 194 R C 1.831 178.054 176.300 -0.130 0.000 1.080 194 R CA 1.248 57.248 56.100 -0.165 0.000 0.995 194 R CB -0.595 29.501 30.300 -0.341 0.000 0.875 194 R HN 0.248 nan 8.270 nan 0.000 0.462 195 G N -0.650 108.068 108.800 -0.137 0.000 2.880 195 G HA2 0.272 4.235 3.960 0.006 0.000 0.209 195 G HA3 0.272 4.235 3.960 0.006 0.000 0.209 195 G C 0.866 175.717 174.900 -0.082 0.000 1.157 195 G CA 0.244 45.279 45.100 -0.108 0.000 0.779 195 G HN 0.567 nan 8.290 nan 0.000 0.539 196 G N -0.681 108.073 108.800 -0.076 0.000 2.318 196 G HA2 -0.163 3.800 3.960 0.006 0.000 0.172 196 G HA3 -0.163 3.800 3.960 0.006 0.000 0.172 196 G C 0.258 175.115 174.900 -0.071 0.000 1.002 196 G CA -0.407 44.655 45.100 -0.064 0.000 0.697 196 G HN 0.299 nan 8.290 nan 0.000 0.483 197 L N 1.611 122.789 121.223 -0.075 0.000 2.380 197 L HA 0.332 4.676 4.340 0.006 0.000 0.273 197 L C 1.019 177.809 176.870 -0.133 0.000 1.138 197 L CA -0.665 54.132 54.840 -0.072 0.000 0.832 197 L CB 0.682 42.716 42.059 -0.041 0.000 1.124 197 L HN 0.015 nan 8.230 nan 0.000 0.454 198 D N 1.926 122.198 120.400 -0.214 0.000 2.149 198 D HA 0.000 4.644 4.640 0.006 0.000 0.201 198 D C -0.070 175.865 176.300 -0.608 0.000 0.972 198 D CA 1.625 55.332 54.000 -0.489 0.000 0.835 198 D CB 0.240 40.607 40.800 -0.722 0.000 0.966 198 D HN 0.158 nan 8.370 nan 0.000 0.476 199 F N -0.297 119.609 119.950 -0.073 0.000 2.599 199 F HA 0.314 4.845 4.527 0.006 0.000 0.311 199 F C 0.607 176.254 175.800 -0.256 0.000 1.076 199 F CA -1.027 56.861 58.000 -0.188 0.000 0.937 199 F CB 1.796 40.621 39.000 -0.291 0.000 1.282 199 F HN -0.341 nan 8.300 nan 0.000 0.460 203 D N 1.260 121.792 120.400 0.220 0.000 2.400 203 D HA -0.034 4.610 4.640 0.006 0.000 0.238 203 D C 1.572 177.866 176.300 -0.010 0.000 1.157 203 D CA 0.095 54.154 54.000 0.099 0.000 0.889 203 D CB 1.045 41.918 40.800 0.122 0.000 1.199 203 D HN 0.422 nan 8.370 nan 0.000 0.436 204 E N 2.522 122.595 120.200 -0.212 0.000 2.219 204 E HA -0.275 4.079 4.350 0.006 0.000 0.198 204 E C 0.644 177.142 176.600 -0.171 0.000 0.998 204 E CA 1.338 57.498 56.400 -0.400 0.000 0.818 204 E CB -0.342 28.769 29.700 -0.982 0.000 0.741 204 E HN 0.498 nan 8.360 nan 0.000 0.477 205 N N 0.745 119.402 118.700 -0.071 0.000 2.280 205 N HA 0.024 4.768 4.740 0.006 0.000 0.192 205 N C 0.015 175.564 175.510 0.064 0.000 1.109 205 N CA -0.110 52.936 53.050 -0.007 0.000 0.855 205 N CB 0.196 38.689 38.487 0.010 0.000 0.974 205 N HN -0.052 nan 8.380 nan 0.000 0.482 206 V N 1.898 121.865 119.914 0.088 0.000 2.405 206 V HA 0.186 4.309 4.120 0.006 0.000 0.264 206 V C 0.223 176.363 176.094 0.076 0.000 1.048 206 V CA -0.127 62.247 62.300 0.124 0.000 0.966 206 V CB -0.326 31.585 31.823 0.147 0.000 1.015 206 V HN 0.311 nan 8.190 nan 0.000 0.477 207 N N 2.658 121.385 118.700 0.045 0.000 3.039 207 N HA 0.247 4.990 4.740 0.006 0.000 0.188 207 N C -0.233 175.301 175.510 0.041 0.000 1.310 207 N CA -0.377 52.693 53.050 0.034 0.000 1.111 207 N CB 0.558 39.040 38.487 -0.009 0.000 1.311 207 N HN 0.505 nan 8.380 nan 0.000 0.490 208 S N 0.198 115.894 115.700 -0.006 0.000 2.677 208 S HA 0.472 4.946 4.470 0.006 0.000 0.283 208 S C -1.766 172.750 174.600 -0.140 0.000 1.159 208 S CA -0.401 57.797 58.200 -0.003 0.000 1.001 208 S CB 1.179 64.487 63.200 0.181 0.000 1.032 208 S HN 0.252 nan 8.310 nan 0.000 0.487 209 Q N 3.352 122.946 119.800 -0.344 0.000 2.495 209 Q HA 0.480 4.824 4.340 0.006 0.000 0.287 209 Q C -2.090 173.626 176.000 -0.473 0.000 1.078 209 Q CA -1.824 53.694 55.803 -0.477 0.000 0.793 209 Q CB 1.774 30.010 28.738 -0.836 0.000 1.459 209 Q HN 0.269 nan 8.270 nan 0.000 0.422 210 P HA -0.183 nan 4.420 nan 0.000 0.217 210 P C 0.545 177.787 177.300 -0.096 0.000 1.148 210 P CA 1.355 64.383 63.100 -0.120 0.000 0.828 210 P CB 0.038 31.737 31.700 -0.001 0.000 0.783 211 F N -2.505 117.458 119.950 0.022 0.000 2.558 211 F HA 0.267 4.798 4.527 0.006 0.000 0.298 211 F C 0.956 176.771 175.800 0.025 0.000 1.119 211 F CA 0.126 58.141 58.000 0.025 0.000 1.451 211 F CB -0.570 38.450 39.000 0.033 0.000 1.091 211 F HN -0.175 nan 8.300 nan 0.000 0.563 212 M N 1.303 120.680 119.600 -0.373 0.000 2.355 212 M HA 0.320 4.804 4.480 0.006 0.000 0.232 212 M C -1.533 174.619 176.300 -0.247 0.000 0.988 212 M CA -0.514 54.681 55.300 -0.175 0.000 0.931 212 M CB 1.055 33.662 32.600 0.012 0.000 2.294 212 M HN -0.183 nan 8.290 nan 0.000 0.459 213 R N 3.868 124.279 120.500 -0.148 0.000 2.459 213 R HA 0.282 4.625 4.340 0.006 0.000 0.281 213 R C 1.073 177.286 176.300 -0.145 0.000 1.050 213 R CA -0.234 55.774 56.100 -0.155 0.000 1.055 213 R CB 0.622 30.804 30.300 -0.197 0.000 1.045 213 R HN 0.958 nan 8.270 nan 0.000 0.495 214 W N 3.908 125.101 121.300 -0.178 0.000 2.342 214 W HA -0.147 4.517 4.660 0.007 0.000 0.297 214 W C 1.075 177.417 176.519 -0.294 0.000 1.213 214 W CA 0.749 57.961 57.345 -0.221 0.000 1.251 214 W CB -0.427 28.819 29.460 -0.356 0.000 1.136 214 W HN 0.554 nan 8.180 nan 0.000 0.526 215 R N 1.003 120.734 120.500 -1.283 0.000 2.119 215 R HA -0.109 4.235 4.340 0.006 0.000 0.222 215 R C 1.763 177.796 176.300 -0.445 0.000 1.088 215 R CA 1.691 57.064 56.100 -1.212 0.000 0.984 215 R CB -0.281 29.064 30.300 -1.591 0.000 0.884 215 R HN -0.033 nan 8.270 nan 0.000 0.447 216 D N 0.207 120.424 120.400 -0.306 0.000 2.097 216 D HA -0.203 4.440 4.640 0.006 0.000 0.195 216 D C 1.843 178.216 176.300 0.121 0.000 0.989 216 D CA 1.078 55.027 54.000 -0.085 0.000 0.827 216 D CB -0.237 40.583 40.800 0.034 0.000 0.966 216 D HN 0.234 nan 8.370 nan 0.000 0.456 217 R N -0.187 120.415 120.500 0.170 0.000 2.083 217 R HA -0.158 4.186 4.340 0.006 0.000 0.237 217 R C 2.255 178.764 176.300 0.347 0.000 1.137 217 R CA 1.099 57.362 56.100 0.271 0.000 0.951 217 R CB -0.358 30.049 30.300 0.177 0.000 0.851 217 R HN 0.031 nan 8.270 nan 0.000 0.434 218 F N 0.759 120.752 119.950 0.072 0.000 2.126 218 F HA -0.183 4.348 4.527 0.006 0.000 0.299 218 F C 2.123 177.940 175.800 0.028 0.000 1.096 218 F CA 0.998 59.056 58.000 0.096 0.000 1.255 218 F CB -0.759 38.346 39.000 0.176 0.000 0.997 218 F HN 0.054 nan 8.300 nan 0.000 0.479 219 L N -1.539 119.764 121.223 0.132 0.000 2.027 219 L HA -0.185 4.159 4.340 0.006 0.000 0.206 219 L C 2.274 179.096 176.870 -0.079 0.000 1.074 219 L CA 1.558 56.368 54.840 -0.051 0.000 0.745 219 L CB -0.946 40.961 42.059 -0.252 0.000 0.898 219 L HN -0.041 nan 8.230 nan 0.000 0.433 220 F N -1.662 118.322 119.950 0.058 0.000 2.234 220 F HA -0.140 4.390 4.527 0.006 0.000 0.299 220 F C 2.365 178.176 175.800 0.019 0.000 1.087 220 F CA 0.890 58.915 58.000 0.042 0.000 1.340 220 F CB -0.919 38.113 39.000 0.054 0.000 1.031 220 F HN -0.187 nan 8.300 nan 0.000 0.500 221 V N -0.249 119.767 119.914 0.169 0.000 2.358 221 V HA -0.274 3.849 4.120 0.006 0.000 0.246 221 V C 2.585 178.652 176.094 -0.044 0.000 1.047 221 V CA 1.605 63.900 62.300 -0.008 0.000 1.035 221 V CB -1.253 30.459 31.823 -0.185 0.000 0.658 221 V HN 0.333 nan 8.190 nan 0.000 0.452 222 A N -0.472 122.333 122.820 -0.024 0.000 1.892 222 A HA -0.324 3.999 4.320 0.006 0.000 0.218 222 A C 2.271 179.835 177.584 -0.033 0.000 1.188 222 A CA 2.266 54.247 52.037 -0.092 0.000 0.631 222 A CB -0.627 18.408 19.000 0.058 0.000 0.822 222 A HN 0.611 nan 8.150 nan 0.000 0.447 223 E N -0.369 119.884 120.200 0.089 0.000 2.070 223 E HA -0.209 4.144 4.350 0.006 0.000 0.197 223 E C 2.226 178.874 176.600 0.079 0.000 1.004 223 E CA 1.264 57.739 56.400 0.126 0.000 0.805 223 E CB -0.271 29.503 29.700 0.123 0.000 0.744 223 E HN 0.561 nan 8.360 nan 0.000 0.451 224 A N 0.937 123.796 122.820 0.066 0.000 1.902 224 A HA -0.175 4.148 4.320 0.006 0.000 0.217 224 A C 2.170 179.803 177.584 0.082 0.000 1.181 224 A CA 1.352 53.443 52.037 0.091 0.000 0.623 224 A CB -0.630 18.442 19.000 0.119 0.000 0.818 224 A HN 0.316 nan 8.150 nan 0.000 0.443 225 I N -1.789 118.755 120.570 -0.043 0.000 2.163 225 I HA -0.302 3.871 4.170 0.006 0.000 0.243 225 I C 2.371 178.449 176.117 -0.065 0.000 1.085 225 I CA 1.581 62.809 61.300 -0.121 0.000 1.347 225 I CB -0.436 37.364 38.000 -0.333 0.000 1.044 225 I HN 0.393 nan 8.210 nan 0.000 0.408 226 Y N 0.659 120.997 120.300 0.063 0.000 2.314 226 Y HA -0.177 4.376 4.550 0.006 0.000 0.293 226 Y C 2.514 178.439 175.900 0.041 0.000 1.129 226 Y CA 0.982 59.109 58.100 0.045 0.000 1.201 226 Y CB -0.676 37.802 38.460 0.030 0.000 0.999 226 Y HN 0.093 nan 8.280 nan 0.000 0.541 227 K N 0.279 120.777 120.400 0.163 0.000 2.026 227 K HA -0.168 4.156 4.320 0.006 0.000 0.208 227 K C 2.335 179.046 176.600 0.185 0.000 1.048 227 K CA 1.260 57.596 56.287 0.082 0.000 0.929 227 K CB -0.286 32.125 32.500 -0.148 0.000 0.713 227 K HN 0.216 nan 8.250 nan 0.000 0.439 228 A N 1.062 124.043 122.820 0.267 0.000 1.902 228 A HA -0.255 4.068 4.320 0.006 0.000 0.217 228 A C 2.104 179.767 177.584 0.132 0.000 1.181 228 A CA 1.818 53.998 52.037 0.238 0.000 0.623 228 A CB -0.694 18.410 19.000 0.173 0.000 0.818 228 A HN 0.580 nan 8.150 nan 0.000 0.443 229 Q N -0.668 119.204 119.800 0.119 0.000 2.084 229 Q HA -0.106 4.238 4.340 0.006 0.000 0.202 229 Q C 2.165 178.222 176.000 0.096 0.000 0.978 229 Q CA 1.555 57.417 55.803 0.098 0.000 0.844 229 Q CB -0.341 28.476 28.738 0.131 0.000 0.898 229 Q HN 0.610 nan 8.270 nan 0.000 0.426 230 A N 0.702 123.589 122.820 0.112 0.000 1.933 230 A HA -0.233 4.091 4.320 0.006 0.000 0.218 230 A C 1.874 179.502 177.584 0.073 0.000 1.175 230 A CA 1.639 53.725 52.037 0.083 0.000 0.628 230 A CB -0.604 18.442 19.000 0.075 0.000 0.814 230 A HN 0.622 nan 8.150 nan 0.000 0.444 231 E N -0.440 119.817 120.200 0.096 0.000 2.107 231 E HA -0.145 4.208 4.350 0.006 0.000 0.191 231 E C 1.982 178.620 176.600 0.063 0.000 0.982 231 E CA 1.691 58.146 56.400 0.092 0.000 0.809 231 E CB -0.066 29.726 29.700 0.153 0.000 0.756 231 E HN 0.710 nan 8.360 nan 0.000 0.459 232 T N -3.879 110.707 114.554 0.054 0.000 3.044 232 T HA 0.238 4.592 4.350 0.006 0.000 0.255 232 T C 1.573 176.288 174.700 0.024 0.000 1.073 232 T CA 0.679 62.796 62.100 0.029 0.000 1.125 232 T CB 0.440 69.314 68.868 0.011 0.000 0.908 232 T HN 0.326 nan 8.240 nan 0.000 0.480 233 G N 1.148 109.967 108.800 0.032 0.000 2.162 233 G HA2 -0.220 3.743 3.960 0.006 0.000 0.260 233 G HA3 -0.220 3.743 3.960 0.006 0.000 0.260 233 G C -0.232 174.678 174.900 0.018 0.000 0.976 233 G CA 0.291 45.407 45.100 0.027 0.000 0.655 233 G HN 0.680 nan 8.290 nan 0.000 0.533 234 E N -0.568 119.637 120.200 0.007 0.000 2.207 234 E HA 0.542 4.895 4.350 0.006 0.000 0.270 234 E C 0.242 176.833 176.600 -0.016 0.000 0.927 234 E CA -1.049 55.342 56.400 -0.015 0.000 0.799 234 E CB 2.432 32.109 29.700 -0.039 0.000 1.172 234 E HN 0.064 nan 8.360 nan 0.000 0.404 235 V N 3.513 123.408 119.914 -0.031 0.000 2.599 235 V HA 0.016 4.140 4.120 0.006 0.000 0.300 235 V C 0.208 176.255 176.094 -0.078 0.000 1.034 235 V CA 0.417 62.701 62.300 -0.026 0.000 1.115 235 V CB 0.134 31.942 31.823 -0.023 0.000 0.934 235 V HN 0.508 nan 8.190 nan 0.000 0.485 236 K N 3.010 123.387 120.400 -0.039 0.000 2.385 236 K HA 0.832 5.156 4.320 0.006 0.000 0.248 236 K C -0.002 176.606 176.600 0.015 0.000 0.955 236 K CA -0.416 55.832 56.287 -0.064 0.000 0.816 236 K CB 2.430 34.913 32.500 -0.027 0.000 1.250 236 K HN 0.852 nan 8.250 nan 0.000 0.434 237 G N 0.175 109.037 108.800 0.103 0.000 2.684 237 G HA2 0.408 4.372 3.960 0.006 0.000 0.290 237 G HA3 0.408 4.372 3.960 0.006 0.000 0.290 237 G C -1.921 173.160 174.900 0.302 0.000 1.425 237 G CA -0.285 44.978 45.100 0.270 0.000 0.822 237 G HN 0.557 nan 8.290 nan 0.000 0.482 238 H N 0.231 119.358 119.070 0.094 0.000 3.017 238 H HA 0.302 4.862 4.556 0.006 0.000 0.340 238 H C -1.203 174.127 175.328 0.004 0.000 1.014 238 H CA -0.574 55.458 56.048 -0.027 0.000 1.341 238 H CB 1.346 31.091 29.762 -0.027 0.000 1.739 238 H HN 0.377 nan 8.280 nan 0.000 0.506 239 Y N 5.632 125.685 120.300 -0.412 0.000 2.680 239 Y HA 0.112 4.666 4.550 0.006 0.000 0.356 239 Y C 0.739 176.505 175.900 -0.223 0.000 1.122 239 Y CA -0.563 57.355 58.100 -0.302 0.000 1.509 239 Y CB -0.681 37.573 38.460 -0.344 0.000 1.245 239 Y HN 0.330 nan 8.280 nan 0.000 0.513 240 L N 3.525 124.757 121.223 0.015 0.000 2.410 240 L HA 0.116 4.460 4.340 0.006 0.000 0.273 240 L C 0.718 177.592 176.870 0.005 0.000 1.144 240 L CA 0.131 54.893 54.840 -0.129 0.000 0.863 240 L CB 0.342 41.942 42.059 -0.765 0.000 1.140 240 L HN 0.613 nan 8.230 nan 0.000 0.463 241 N N 1.834 120.620 118.700 0.142 0.000 2.411 241 N HA 0.213 4.957 4.740 0.006 0.000 0.259 241 N C 0.579 176.223 175.510 0.223 0.000 1.103 241 N CA -0.101 53.053 53.050 0.175 0.000 0.954 241 N CB 1.123 39.699 38.487 0.148 0.000 1.085 241 N HN 0.777 nan 8.380 nan 0.000 0.485 242 A N 2.670 125.579 122.820 0.149 0.000 2.195 242 A HA 0.061 4.384 4.320 0.006 0.000 0.210 242 A C 0.743 178.333 177.584 0.010 0.000 1.165 242 A CA 0.094 52.162 52.037 0.053 0.000 0.806 242 A CB -0.021 18.977 19.000 -0.004 0.000 0.847 242 A HN 0.603 nan 8.150 nan 0.000 0.482 243 T N 1.776 116.400 114.554 0.118 0.000 2.891 243 T HA 0.407 4.761 4.350 0.006 0.000 0.296 243 T C 0.200 174.893 174.700 -0.011 0.000 1.025 243 T CA 0.943 63.116 62.100 0.122 0.000 1.149 243 T CB 0.445 69.334 68.868 0.035 0.000 1.007 243 T HN 0.771 nan 8.240 nan 0.000 0.528 244 A N 2.474 125.279 122.820 -0.024 0.000 2.588 244 A HA 0.805 5.129 4.320 0.006 0.000 0.290 244 A C 1.277 178.828 177.584 -0.056 0.000 1.136 244 A CA -0.298 51.688 52.037 -0.085 0.000 0.681 244 A CB 0.639 19.539 19.000 -0.167 0.000 1.282 244 A HN 0.756 nan 8.150 nan 0.000 0.421 245 G N -0.736 108.025 108.800 -0.064 0.000 2.448 245 G HA2 0.339 4.302 3.960 0.006 0.000 0.218 245 G HA3 0.339 4.302 3.960 0.006 0.000 0.218 245 G C 0.699 175.573 174.900 -0.044 0.000 1.135 245 G CA 1.806 46.878 45.100 -0.047 0.000 0.784 245 G HN 1.623 nan 8.290 nan 0.000 0.543 246 T N -4.211 110.308 114.554 -0.059 0.000 2.906 246 T HA 0.312 4.666 4.350 0.006 0.000 0.295 246 T C 0.909 175.564 174.700 -0.075 0.000 1.075 246 T CA -0.285 61.782 62.100 -0.056 0.000 1.005 246 T CB 1.421 70.258 68.868 -0.052 0.000 1.136 246 T HN -0.075 nan 8.240 nan 0.000 0.498 247 C N 0.770 120.030 119.300 -0.066 0.000 2.425 247 C HA -0.020 4.443 4.460 0.006 0.000 0.277 247 C C 2.621 177.544 174.990 -0.112 0.000 1.280 247 C CA 0.934 59.901 59.018 -0.086 0.000 1.744 247 C CB -1.326 26.376 27.740 -0.063 0.000 1.989 247 C HN 1.017 nan 8.230 nan 0.000 0.491 248 E N 0.811 120.956 120.200 -0.093 0.000 2.077 248 E HA -0.143 4.211 4.350 0.006 0.000 0.193 248 E C 2.235 178.755 176.600 -0.133 0.000 0.989 248 E CA 0.927 57.269 56.400 -0.097 0.000 0.800 248 E CB -0.280 29.382 29.700 -0.064 0.000 0.746 248 E HN 0.527 nan 8.360 nan 0.000 0.452 249 E N 0.166 120.279 120.200 -0.144 0.000 2.072 249 E HA -0.149 4.205 4.350 0.006 0.000 0.191 249 E C 2.021 178.431 176.600 -0.316 0.000 0.985 249 E CA 0.750 57.023 56.400 -0.212 0.000 0.801 249 E CB -0.264 29.326 29.700 -0.183 0.000 0.750 249 E HN 0.321 nan 8.360 nan 0.000 0.452 250 M N -0.159 119.290 119.600 -0.252 0.000 2.080 250 M HA -0.209 4.275 4.480 0.006 0.000 0.260 250 M C 1.945 178.058 176.300 -0.311 0.000 1.068 250 M CA 1.418 56.559 55.300 -0.266 0.000 1.109 250 M CB -0.004 32.472 32.600 -0.206 0.000 1.342 250 M HN 0.026 nan 8.290 nan 0.000 0.405 251 M N 0.202 119.628 119.600 -0.290 0.000 2.117 251 M HA -0.183 4.300 4.480 0.006 0.000 0.262 251 M C 2.009 178.110 176.300 -0.331 0.000 1.065 251 M CA 1.760 56.848 55.300 -0.353 0.000 1.114 251 M CB -1.287 31.146 32.600 -0.278 0.000 1.361 251 M HN 0.270 nan 8.290 nan 0.000 0.408 252 K N -0.178 120.063 120.400 -0.265 0.000 2.074 252 K HA -0.170 4.153 4.320 0.006 0.000 0.209 252 K C 2.123 178.552 176.600 -0.285 0.000 1.048 252 K CA 1.496 57.663 56.287 -0.200 0.000 0.926 252 K CB -0.021 32.392 32.500 -0.145 0.000 0.713 252 K HN 0.304 nan 8.250 nan 0.000 0.444 253 R N -0.404 119.744 120.500 -0.587 0.000 2.090 253 R HA -0.025 4.319 4.340 0.006 0.000 0.228 253 R C 2.339 178.608 176.300 -0.051 0.000 1.110 253 R CA 1.039 56.721 56.100 -0.696 0.000 0.973 253 R CB -0.234 29.511 30.300 -0.924 0.000 0.869 253 R HN 0.159 nan 8.270 nan 0.000 0.440 254 A N 1.245 123.978 122.820 -0.144 0.000 1.902 254 A HA -0.040 4.283 4.320 0.006 0.000 0.217 254 A C 1.413 179.016 177.584 0.031 0.000 1.181 254 A CA 0.844 52.831 52.037 -0.083 0.000 0.623 254 A CB -0.445 18.323 19.000 -0.386 0.000 0.818 254 A HN 0.044 nan 8.150 nan 0.000 0.443 258 K N 0.783 121.322 120.400 0.232 0.000 2.020 258 K HA -0.207 4.116 4.320 0.006 0.000 0.212 258 K C 1.464 178.164 176.600 0.166 0.000 1.050 258 K CA 2.101 58.508 56.287 0.201 0.000 0.929 258 K CB -0.208 32.442 32.500 0.249 0.000 0.714 258 K HN 0.610 nan 8.250 nan 0.000 0.443 259 E N 0.258 120.561 120.200 0.172 0.000 2.338 259 E HA -0.114 4.239 4.350 0.006 0.000 0.197 259 E C 1.821 178.506 176.600 0.141 0.000 1.007 259 E CA 0.634 57.117 56.400 0.139 0.000 0.849 259 E CB 0.066 29.844 29.700 0.129 0.000 0.774 259 E HN 0.352 nan 8.360 nan 0.000 0.506 260 L N -0.823 120.506 121.223 0.175 0.000 2.509 260 L HA 0.139 4.483 4.340 0.006 0.000 0.222 260 L C 1.413 178.428 176.870 0.241 0.000 1.123 260 L CA 0.328 55.287 54.840 0.199 0.000 0.856 260 L CB 0.160 42.344 42.059 0.209 0.000 0.985 260 L HN 0.251 nan 8.230 nan 0.000 0.456 261 G N 0.905 109.823 108.800 0.196 0.000 2.153 261 G HA2 -0.264 3.699 3.960 0.006 0.000 0.252 261 G HA3 -0.264 3.699 3.960 0.006 0.000 0.252 261 G C 0.385 175.424 174.900 0.231 0.000 0.994 261 G CA 0.334 45.553 45.100 0.200 0.000 0.698 261 G HN 0.266 nan 8.290 nan 0.000 0.521 262 V N -2.311 117.704 119.914 0.169 0.000 3.003 262 V HA 0.709 4.832 4.120 0.006 0.000 0.305 262 V C 0.005 176.148 176.094 0.083 0.000 1.078 262 V CA -0.832 61.517 62.300 0.081 0.000 1.083 262 V CB 1.209 33.030 31.823 -0.002 0.000 1.039 262 V HN 0.051 nan 8.190 nan 0.000 0.481 263 P HA 0.266 nan 4.420 nan 0.000 0.226 263 P C 0.120 177.449 177.300 0.047 0.000 1.161 263 P CA 0.763 63.908 63.100 0.074 0.000 0.804 263 P CB 0.540 32.312 31.700 0.120 0.000 0.829 264 I N -0.155 120.447 120.570 0.053 0.000 2.722 264 I HA 0.355 4.528 4.170 0.006 0.000 0.292 264 I C -1.121 175.004 176.117 0.014 0.000 1.267 264 I CA -1.557 59.747 61.300 0.006 0.000 1.036 264 I CB 2.274 40.255 38.000 -0.031 0.000 1.281 264 I HN -0.249 nan 8.210 nan 0.000 0.423 265 I N 4.605 125.168 120.570 -0.012 0.000 3.067 265 I HA 0.685 4.859 4.170 0.006 0.000 0.312 265 I C -0.826 175.288 176.117 -0.004 0.000 1.073 265 I CA -0.947 60.357 61.300 0.007 0.000 1.016 265 I CB 2.140 40.162 38.000 0.037 0.000 1.227 265 I HN 0.691 nan 8.210 nan 0.000 0.456 266 M N 1.738 121.376 119.600 0.064 0.000 2.644 266 M HA 0.636 5.119 4.480 0.006 0.000 0.304 266 M C -1.512 174.886 176.300 0.163 0.000 1.215 266 M CA -0.508 54.859 55.300 0.112 0.000 0.871 266 M CB 2.182 34.918 32.600 0.225 0.000 1.740 266 M HN 0.793 nan 8.290 nan 0.000 0.464 267 H N -0.220 118.862 119.070 0.019 0.000 2.894 267 H HA 0.478 5.038 4.556 0.006 0.000 0.367 267 H C -1.965 173.387 175.328 0.039 0.000 1.144 267 H CA -0.572 55.481 56.048 0.009 0.000 1.180 267 H CB 1.819 31.573 29.762 -0.013 0.000 1.758 267 H HN 0.761 nan 8.280 nan 0.000 0.541 268 D N 4.619 124.739 120.400 -0.467 0.000 2.411 268 D HA 0.014 4.657 4.640 0.006 0.000 0.225 268 D C 0.666 176.600 176.300 -0.611 0.000 1.156 268 D CA -0.206 53.579 54.000 -0.358 0.000 0.874 268 D CB 0.031 40.679 40.800 -0.253 0.000 1.034 268 D HN 0.622 nan 8.370 nan 0.000 0.502 269 Y N 1.166 121.157 120.300 -0.514 0.000 2.373 269 Y HA 0.028 4.581 4.550 0.005 0.000 0.293 269 Y C 1.280 176.860 175.900 -0.533 0.000 1.129 269 Y CA 0.716 58.530 58.100 -0.476 0.000 1.226 269 Y CB -0.400 37.886 38.460 -0.289 0.000 1.000 269 Y HN 0.233 nan 8.280 nan 0.000 0.549 270 L N 0.394 121.074 121.223 -0.905 0.000 2.202 270 L HA -0.027 4.317 4.340 0.006 0.000 0.205 270 L C 2.592 179.188 176.870 -0.457 0.000 1.083 270 L CA 1.396 55.740 54.840 -0.827 0.000 0.790 270 L CB -0.662 40.945 42.059 -0.753 0.000 0.942 270 L HN 0.405 nan 8.230 nan 0.000 0.452 271 T N -3.562 110.784 114.554 -0.347 0.000 2.978 271 T HA 0.003 4.357 4.350 0.006 0.000 0.262 271 T C 1.885 176.468 174.700 -0.195 0.000 1.063 271 T CA 0.814 62.777 62.100 -0.227 0.000 1.140 271 T CB -0.467 68.298 68.868 -0.172 0.000 0.886 271 T HN 0.300 nan 8.240 nan 0.000 0.470 272 G N 1.370 110.021 108.800 -0.248 0.000 2.395 272 G HA2 0.435 4.398 3.960 0.006 0.000 0.214 272 G HA3 0.435 4.398 3.960 0.006 0.000 0.214 272 G C 0.871 175.738 174.900 -0.055 0.000 1.177 272 G CA 0.232 45.274 45.100 -0.097 0.000 0.794 272 G HN 1.248 nan 8.290 nan 0.000 0.532 273 G N -1.921 106.780 108.800 -0.165 0.000 2.587 273 G HA2 -0.016 3.948 3.960 0.006 0.000 0.686 273 G HA3 -0.016 3.948 3.960 0.006 0.000 0.686 273 G C 0.142 174.978 174.900 -0.106 0.000 1.236 273 G CA -0.170 44.813 45.100 -0.194 0.000 0.820 273 G HN 0.092 nan 8.290 nan 0.000 0.645 274 F N 0.637 120.576 119.950 -0.017 0.000 2.171 274 F HA -0.026 4.505 4.527 0.007 0.000 0.300 274 F C 3.119 178.942 175.800 0.039 0.000 1.090 274 F CA 2.348 60.358 58.000 0.015 0.000 1.293 274 F CB -0.622 38.338 39.000 -0.067 0.000 1.013 274 F HN 0.560 nan 8.300 nan 0.000 0.486 275 T N -0.161 114.512 114.554 0.198 0.000 2.674 275 T HA -0.195 4.159 4.350 0.006 0.000 0.265 275 T C 2.325 177.070 174.700 0.075 0.000 1.039 275 T CA 1.462 63.634 62.100 0.120 0.000 1.150 275 T CB -0.740 68.177 68.868 0.082 0.000 0.864 275 T HN 0.285 nan 8.240 nan 0.000 0.427 276 A N 2.022 124.876 122.820 0.057 0.000 1.902 276 A HA -0.155 4.168 4.320 0.006 0.000 0.217 276 A C 2.270 179.816 177.584 -0.064 0.000 1.181 276 A CA 1.658 53.691 52.037 -0.007 0.000 0.623 276 A CB -0.825 18.179 19.000 0.007 0.000 0.818 276 A HN 0.547 nan 8.150 nan 0.000 0.443 277 N N -0.476 118.263 118.700 0.065 0.000 2.084 277 N HA -0.149 4.594 4.740 0.006 0.000 0.190 277 N C 1.633 177.165 175.510 0.037 0.000 1.030 277 N CA 2.096 55.184 53.050 0.065 0.000 0.849 277 N CB -0.195 38.459 38.487 0.278 0.000 1.012 277 N HN 0.438 nan 8.380 nan 0.000 0.423 278 T N 0.096 114.708 114.554 0.095 0.000 2.746 278 T HA -0.058 4.296 4.350 0.006 0.000 0.267 278 T C 2.140 176.860 174.700 0.033 0.000 1.039 278 T CA 1.230 63.380 62.100 0.083 0.000 1.142 278 T CB -0.306 68.631 68.868 0.116 0.000 0.866 278 T HN 0.202 nan 8.240 nan 0.000 0.444 279 S N 1.249 116.956 115.700 0.012 0.000 2.359 279 S HA -0.061 4.412 4.470 0.006 0.000 0.224 279 S C 1.938 176.535 174.600 -0.005 0.000 1.035 279 S CA 0.814 59.013 58.200 -0.002 0.000 1.018 279 S CB -0.534 62.651 63.200 -0.024 0.000 0.876 279 S HN 0.235 nan 8.310 nan 0.000 0.448 280 L N 1.777 122.957 121.223 -0.072 0.000 2.046 280 L HA -0.033 4.310 4.340 0.006 0.000 0.208 280 L C 2.367 179.244 176.870 0.011 0.000 1.077 280 L CA 1.879 56.674 54.840 -0.076 0.000 0.747 280 L CB -1.102 40.810 42.059 -0.246 0.000 0.896 280 L HN 0.265 nan 8.230 nan 0.000 0.432 281 A N -0.498 122.317 122.820 -0.010 0.000 1.902 281 A HA -0.194 4.130 4.320 0.006 0.000 0.217 281 A C 2.273 179.851 177.584 -0.010 0.000 1.181 281 A CA 2.089 54.119 52.037 -0.012 0.000 0.623 281 A CB -0.827 18.163 19.000 -0.018 0.000 0.818 281 A HN 0.489 nan 8.150 nan 0.000 0.443 282 I N -2.203 118.374 120.570 0.011 0.000 2.252 282 I HA -0.249 3.924 4.170 0.006 0.000 0.245 282 I C 2.425 178.551 176.117 0.016 0.000 1.102 282 I CA 1.599 62.900 61.300 0.002 0.000 1.385 282 I CB -0.387 37.621 38.000 0.012 0.000 1.064 282 I HN 0.525 nan 8.210 nan 0.000 0.414 283 Y N 0.994 121.269 120.300 -0.043 0.000 2.128 283 Y HA -0.356 4.197 4.550 0.005 0.000 0.284 283 Y C 2.737 178.626 175.900 -0.018 0.000 1.154 283 Y CA 1.752 59.834 58.100 -0.030 0.000 1.149 283 Y CB -0.438 38.001 38.460 -0.035 0.000 0.976 283 Y HN 0.198 nan 8.280 nan 0.000 0.505 284 C N 0.064 119.418 119.300 0.090 0.000 2.429 284 C HA -0.164 4.300 4.460 0.006 0.000 0.277 284 C C 2.736 177.694 174.990 -0.053 0.000 1.262 284 C CA 1.448 60.493 59.018 0.046 0.000 1.733 284 C CB -1.257 26.531 27.740 0.080 0.000 2.010 284 C HN 0.588 nan 8.230 nan 0.000 0.483 285 R N 1.691 122.103 120.500 -0.146 0.000 2.091 285 R HA -0.120 4.223 4.340 0.006 0.000 0.238 285 R C 1.412 177.631 176.300 -0.136 0.000 1.136 285 R CA 2.031 58.001 56.100 -0.218 0.000 0.959 285 R CB -0.795 29.394 30.300 -0.186 0.000 0.856 285 R HN 0.453 nan 8.270 nan 0.000 0.437 286 D N -0.731 119.572 120.400 -0.162 0.000 2.347 286 D HA 0.024 4.667 4.640 0.006 0.000 0.213 286 D C 0.401 176.578 176.300 -0.205 0.000 0.985 286 D CA 0.599 54.498 54.000 -0.169 0.000 0.879 286 D CB 0.135 40.827 40.800 -0.180 0.000 0.919 286 D HN 0.339 nan 8.370 nan 0.000 0.526 287 N N -0.720 117.830 118.700 -0.250 0.000 2.159 287 N HA 0.099 4.842 4.740 0.006 0.000 0.217 287 N C 0.925 176.407 175.510 -0.047 0.000 1.223 287 N CA 0.415 53.336 53.050 -0.215 0.000 0.896 287 N CB 2.078 40.288 38.487 -0.462 0.000 1.064 287 N HN 0.071 nan 8.380 nan 0.000 0.518 288 G N 1.680 110.506 108.800 0.043 0.000 2.147 288 G HA2 -0.253 3.710 3.960 0.006 0.000 0.244 288 G HA3 -0.253 3.710 3.960 0.006 0.000 0.244 288 G C -0.185 174.772 174.900 0.094 0.000 1.005 288 G CA -0.007 45.172 45.100 0.132 0.000 0.713 288 G HN 0.206 nan 8.290 nan 0.000 0.515 289 L N 0.175 121.492 121.223 0.157 0.000 2.312 289 L HA 0.571 4.915 4.340 0.006 0.000 0.281 289 L C 1.183 178.138 176.870 0.142 0.000 1.070 289 L CA -1.023 53.883 54.840 0.110 0.000 0.805 289 L CB 1.168 43.305 42.059 0.130 0.000 1.174 289 L HN 0.069 nan 8.230 nan 0.000 0.434 290 L N 3.611 124.820 121.223 -0.024 0.000 2.417 290 L HA 0.228 4.571 4.340 0.006 0.000 0.268 290 L C -0.400 176.413 176.870 -0.096 0.000 1.158 290 L CA -0.297 54.509 54.840 -0.057 0.000 0.819 290 L CB 0.854 42.796 42.059 -0.196 0.000 1.112 290 L HN 0.377 nan 8.230 nan 0.000 0.458 291 L N 2.874 124.015 121.223 -0.138 0.000 2.345 291 L HA 0.328 4.672 4.340 0.006 0.000 0.274 291 L C -0.530 176.164 176.870 -0.292 0.000 0.999 291 L CA -0.274 54.472 54.840 -0.157 0.000 0.849 291 L CB 0.873 42.888 42.059 -0.073 0.000 1.220 291 L HN 0.447 nan 8.230 nan 0.000 0.422 292 H N 5.417 124.203 119.070 -0.473 0.000 2.668 292 H HA 0.494 5.054 4.556 0.006 0.000 0.303 292 H C -0.717 174.490 175.328 -0.203 0.000 1.074 292 H CA -0.399 55.331 56.048 -0.531 0.000 1.406 292 H CB 0.606 29.747 29.762 -1.034 0.000 1.442 292 H HN 0.480 nan 8.280 nan 0.000 0.482 293 I N 5.977 126.190 120.570 -0.595 0.000 2.321 293 I HA 0.102 4.276 4.170 0.006 0.000 0.291 293 I C 0.334 176.239 176.117 -0.353 0.000 0.998 293 I CA -0.351 60.735 61.300 -0.356 0.000 1.227 293 I CB 0.678 38.461 38.000 -0.362 0.000 1.368 293 I HN 0.719 nan 8.210 nan 0.000 0.466 294 H N 7.523 126.455 119.070 -0.230 0.000 2.473 294 H HA 0.302 4.861 4.556 0.006 0.000 0.327 294 H C 0.437 175.697 175.328 -0.114 0.000 1.105 294 H CA -0.386 55.487 56.048 -0.292 0.000 1.280 294 H CB 1.417 31.049 29.762 -0.217 0.000 1.450 294 H HN 0.586 nan 8.280 nan 0.000 0.492 295 R N 3.003 123.287 120.500 -0.360 0.000 2.515 295 R HA 0.402 4.746 4.340 0.006 0.000 0.294 295 R C 0.207 176.504 176.300 -0.004 0.000 1.021 295 R CA -0.380 55.700 56.100 -0.034 0.000 1.081 295 R CB 0.068 30.318 30.300 -0.083 0.000 1.263 295 R HN 0.373 nan 8.270 nan 0.000 0.557 296 A N 1.603 124.517 122.820 0.158 0.000 2.598 296 A HA 0.016 4.339 4.320 0.006 0.000 0.239 296 A C 0.972 178.552 177.584 -0.008 0.000 1.032 296 A CA 1.058 53.186 52.037 0.150 0.000 0.760 296 A CB -0.205 18.872 19.000 0.129 0.000 0.946 296 A HN 0.843 nan 8.150 nan 0.000 0.512 297 M N 0.246 119.829 119.600 -0.028 0.000 2.995 297 M HA -0.312 4.171 4.480 0.006 0.000 0.207 297 M C 1.143 177.376 176.300 -0.110 0.000 0.593 297 M CA 1.914 57.157 55.300 -0.094 0.000 0.791 297 M CB -2.005 30.523 32.600 -0.121 0.000 2.827 297 M HN 1.301 nan 8.290 nan 0.000 0.293 298 H N -0.559 118.439 119.070 -0.120 0.000 2.357 298 H HA 0.081 4.640 4.556 0.006 0.000 0.296 298 H C 1.673 176.964 175.328 -0.062 0.000 1.108 298 H CA 2.299 58.303 56.048 -0.072 0.000 1.273 298 H CB -0.604 29.139 29.762 -0.032 0.000 1.367 298 H HN 0.514 nan 8.280 nan 0.000 0.498 299 A N 1.021 123.287 122.820 -0.924 0.000 2.119 299 A HA 0.030 4.354 4.320 0.006 0.000 0.217 299 A C 2.507 179.932 177.584 -0.265 0.000 1.153 299 A CA 0.939 52.599 52.037 -0.628 0.000 0.692 299 A CB -0.629 17.986 19.000 -0.642 0.000 0.799 299 A HN 0.365 nan 8.150 nan 0.000 0.458 300 V N -0.128 119.666 119.914 -0.201 0.000 2.407 300 V HA -0.250 3.874 4.120 0.006 0.000 0.248 300 V C 2.226 178.287 176.094 -0.056 0.000 1.055 300 V CA 2.176 64.414 62.300 -0.104 0.000 1.049 300 V CB -0.491 31.280 31.823 -0.087 0.000 0.662 300 V HN 0.625 nan 8.190 nan 0.000 0.455 301 I N 0.477 121.014 120.570 -0.054 0.000 2.927 301 I HA -0.007 4.166 4.170 0.006 0.000 0.268 301 I C 1.637 177.766 176.117 0.020 0.000 1.153 301 I CA 1.087 62.384 61.300 -0.004 0.000 1.459 301 I CB -0.076 37.931 38.000 0.011 0.000 1.149 301 I HN 0.459 nan 8.210 nan 0.000 0.443 302 D N -0.382 120.016 120.400 -0.003 0.000 2.431 302 D HA -0.024 4.619 4.640 0.006 0.000 0.213 302 D C 1.777 178.069 176.300 -0.012 0.000 1.130 302 D CA -0.069 53.939 54.000 0.014 0.000 0.834 302 D CB 0.070 40.909 40.800 0.066 0.000 0.985 302 D HN -0.045 nan 8.370 nan 0.000 0.504 303 R N 0.235 120.720 120.500 -0.025 0.000 2.075 303 R HA 0.078 4.421 4.340 0.006 0.000 0.226 303 R C 0.443 176.765 176.300 0.037 0.000 1.114 303 R CA 0.998 57.087 56.100 -0.018 0.000 0.972 303 R CB -0.101 30.165 30.300 -0.056 0.000 0.869 303 R HN 0.018 nan 8.270 nan 0.000 0.437 304 Q N 0.727 120.563 119.800 0.059 0.000 2.288 304 Q HA 0.067 4.410 4.340 0.006 0.000 0.254 304 Q C 0.291 176.364 176.000 0.121 0.000 0.932 304 Q CA 0.092 55.947 55.803 0.087 0.000 0.902 304 Q CB 1.365 30.159 28.738 0.093 0.000 1.203 304 Q HN 0.249 nan 8.270 nan 0.000 0.415 305 R N 2.449 123.019 120.500 0.117 0.000 2.152 305 R HA -0.150 4.194 4.340 0.006 0.000 0.232 305 R C 1.276 177.652 176.300 0.128 0.000 1.117 305 R CA 1.657 57.834 56.100 0.129 0.000 0.981 305 R CB 0.293 30.657 30.300 0.105 0.000 0.870 305 R HN 0.648 nan 8.270 nan 0.000 0.451 306 N N -1.155 117.624 118.700 0.132 0.000 2.415 306 N HA -0.106 4.638 4.740 0.006 0.000 0.176 306 N C -0.327 175.311 175.510 0.213 0.000 1.042 306 N CA 0.725 53.860 53.050 0.141 0.000 0.902 306 N CB 0.105 38.663 38.487 0.117 0.000 0.986 306 N HN 0.282 nan 8.380 nan 0.000 0.447 307 H N -1.511 117.632 119.070 0.121 0.000 3.087 307 H HA 0.544 5.104 4.556 0.006 0.000 0.348 307 H C 0.003 175.443 175.328 0.187 0.000 1.092 307 H CA 0.318 56.470 56.048 0.175 0.000 1.285 307 H CB 1.299 31.150 29.762 0.147 0.000 1.875 307 H HN 0.343 nan 8.280 nan 0.000 0.512 308 G N 2.549 111.349 108.800 -0.000 0.000 2.255 308 G HA2 -0.000 3.963 3.960 0.006 0.000 0.216 308 G HA3 -0.000 3.963 3.960 0.006 0.000 0.216 308 G C -1.566 173.382 174.900 0.080 0.000 1.307 308 G CA -0.317 44.804 45.100 0.036 0.000 1.162 308 G HN 0.642 nan 8.290 nan 0.000 0.494 309 I N 0.852 121.451 120.570 0.049 0.000 2.533 309 I HA 0.346 4.520 4.170 0.006 0.000 0.290 309 I C 0.104 176.286 176.117 0.108 0.000 1.056 309 I CA -0.904 60.438 61.300 0.069 0.000 1.057 309 I CB 2.094 40.110 38.000 0.026 0.000 1.240 309 I HN 0.663 nan 8.210 nan 0.000 0.423 310 H N 4.655 123.757 119.070 0.053 0.000 2.815 310 H HA 0.019 4.579 4.556 0.006 0.000 0.350 310 H C 0.502 175.901 175.328 0.118 0.000 1.080 310 H CA 0.549 56.658 56.048 0.101 0.000 1.433 310 H CB 1.066 30.877 29.762 0.081 0.000 1.432 310 H HN 0.656 nan 8.280 nan 0.000 0.592 311 F N 5.343 125.037 119.950 -0.427 0.000 2.192 311 F HA -0.261 4.270 4.527 0.007 0.000 0.301 311 F C 2.572 178.293 175.800 -0.131 0.000 1.079 311 F CA 1.884 59.723 58.000 -0.269 0.000 1.303 311 F CB -0.089 38.627 39.000 -0.474 0.000 1.024 311 F HN 0.679 nan 8.300 nan 0.000 0.494 312 R N -0.474 120.073 120.500 0.079 0.000 2.127 312 R HA -0.118 4.225 4.340 0.006 0.000 0.238 312 R C 1.788 178.053 176.300 -0.059 0.000 1.134 312 R CA 1.904 58.023 56.100 0.032 0.000 0.975 312 R CB -1.401 29.104 30.300 0.341 0.000 0.865 312 R HN 0.303 nan 8.270 nan 0.000 0.447 313 V N 1.837 121.750 119.914 -0.003 0.000 2.453 313 V HA -0.133 3.991 4.120 0.006 0.000 0.247 313 V C 2.436 178.563 176.094 0.055 0.000 1.048 313 V CA 1.361 63.669 62.300 0.014 0.000 1.049 313 V CB -0.367 31.450 31.823 -0.011 0.000 0.672 313 V HN 0.260 nan 8.190 nan 0.000 0.457 314 L N 0.268 121.480 121.223 -0.017 0.000 2.131 314 L HA -0.116 4.228 4.340 0.006 0.000 0.210 314 L C 2.684 179.483 176.870 -0.117 0.000 1.092 314 L CA 1.457 56.342 54.840 0.075 0.000 0.759 314 L CB -0.788 41.319 42.059 0.081 0.000 0.903 314 L HN 0.354 nan 8.230 nan 0.000 0.435 315 A N 0.107 122.567 122.820 -0.599 0.000 1.897 315 A HA -0.156 4.168 4.320 0.006 0.000 0.215 315 A C 2.353 179.830 177.584 -0.178 0.000 1.181 315 A CA 1.249 52.961 52.037 -0.542 0.000 0.620 315 A CB -0.239 18.291 19.000 -0.783 0.000 0.821 315 A HN 0.269 nan 8.150 nan 0.000 0.443 316 K N -0.177 120.207 120.400 -0.026 0.000 2.057 316 K HA -0.082 4.242 4.320 0.006 0.000 0.207 316 K C 2.320 178.988 176.600 0.113 0.000 1.049 316 K CA 1.110 57.510 56.287 0.188 0.000 0.931 316 K CB -0.332 32.313 32.500 0.241 0.000 0.714 316 K HN 0.433 nan 8.250 nan 0.000 0.440 317 A N 1.958 124.833 122.820 0.093 0.000 1.908 317 A HA -0.167 4.156 4.320 0.006 0.000 0.218 317 A C 2.063 179.678 177.584 0.052 0.000 1.181 317 A CA 1.121 53.189 52.037 0.051 0.000 0.627 317 A CB -0.603 18.475 19.000 0.129 0.000 0.818 317 A HN 0.247 nan 8.150 nan 0.000 0.445 318 L N -0.360 120.903 121.223 0.067 0.000 2.083 318 L HA -0.130 4.214 4.340 0.006 0.000 0.209 318 L C 2.476 179.233 176.870 -0.187 0.000 1.083 318 L CA 2.340 57.097 54.840 -0.138 0.000 0.752 318 L CB -0.824 40.911 42.059 -0.539 0.000 0.899 318 L HN 0.554 nan 8.230 nan 0.000 0.433 319 R N -0.634 119.735 120.500 -0.219 0.000 2.120 319 R HA -0.169 4.175 4.340 0.006 0.000 0.234 319 R C 2.274 178.428 176.300 -0.244 0.000 1.123 319 R CA 1.574 57.486 56.100 -0.313 0.000 0.975 319 R CB -0.070 29.875 30.300 -0.592 0.000 0.866 319 R HN 0.356 nan 8.270 nan 0.000 0.446 320 M N -0.988 118.486 119.600 -0.210 0.000 2.123 320 M HA -0.090 4.393 4.480 0.006 0.000 0.263 320 M C 2.467 178.696 176.300 -0.118 0.000 1.069 320 M CA 1.607 56.698 55.300 -0.348 0.000 1.133 320 M CB -0.158 31.938 32.600 -0.839 0.000 1.356 320 M HN 0.110 nan 8.290 nan 0.000 0.415 321 S N -0.315 115.365 115.700 -0.033 0.000 2.368 321 S HA 0.084 4.557 4.470 0.006 0.000 0.225 321 S C 0.835 175.473 174.600 0.063 0.000 1.030 321 S CA 1.254 59.525 58.200 0.119 0.000 0.999 321 S CB -0.360 62.993 63.200 0.255 0.000 0.844 321 S HN 0.661 nan 8.310 nan 0.000 0.459 322 G N -1.651 107.133 108.800 -0.027 0.000 2.931 322 G HA2 0.431 4.395 3.960 0.006 0.000 0.675 322 G HA3 0.431 4.395 3.960 0.006 0.000 0.675 322 G C -0.321 174.513 174.900 -0.110 0.000 1.339 322 G CA -0.469 44.592 45.100 -0.065 0.000 0.866 322 G HN 1.100 nan 8.290 nan 0.000 0.616 323 G N 0.516 109.232 108.800 -0.140 0.000 2.633 323 G HA2 0.593 4.557 3.960 0.006 0.000 0.299 323 G HA3 0.593 4.557 3.960 0.006 0.000 0.299 323 G C -0.184 174.632 174.900 -0.139 0.000 1.501 323 G CA 0.330 45.333 45.100 -0.162 0.000 0.887 323 G HN 0.403 nan 8.290 nan 0.000 0.561 324 D N -0.300 120.018 120.400 -0.137 0.000 2.277 324 D HA 0.087 4.731 4.640 0.006 0.000 0.209 324 D C 0.364 176.692 176.300 0.046 0.000 0.970 324 D CA 1.034 54.989 54.000 -0.076 0.000 0.874 324 D CB 0.362 41.099 40.800 -0.106 0.000 0.982 324 D HN 0.581 nan 8.370 nan 0.000 0.504 325 H N -0.584 118.364 119.070 -0.203 0.000 2.622 325 H HA 0.530 5.090 4.556 0.006 0.000 0.363 325 H C -1.113 174.024 175.328 -0.319 0.000 1.151 325 H CA -1.048 54.863 56.048 -0.230 0.000 1.184 325 H CB 2.681 32.318 29.762 -0.209 0.000 1.643 325 H HN -0.121 nan 8.280 nan 0.000 0.531 326 L N 2.331 123.485 121.223 -0.114 0.000 2.436 326 L HA 0.225 4.568 4.340 0.006 0.000 0.268 326 L C -0.628 176.211 176.870 -0.053 0.000 0.974 326 L CA -0.433 54.325 54.840 -0.136 0.000 0.826 326 L CB 1.410 43.395 42.059 -0.123 0.000 1.291 326 L HN 0.711 nan 8.230 nan 0.000 0.406 327 H N 2.831 121.770 119.070 -0.218 0.000 3.034 327 H HA 0.082 4.641 4.556 0.006 0.000 0.324 327 H C 0.409 175.641 175.328 -0.160 0.000 1.015 327 H CA 0.910 56.834 56.048 -0.207 0.000 1.429 327 H CB 0.870 30.432 29.762 -0.334 0.000 1.429 327 H HN 0.771 nan 8.280 nan 0.000 0.585 328 S N 2.083 117.774 115.700 -0.015 0.000 2.540 328 S HA 0.275 4.749 4.470 0.006 0.000 0.222 328 S C 1.011 175.718 174.600 0.179 0.000 1.008 328 S CA 0.112 58.434 58.200 0.202 0.000 0.939 328 S CB 0.951 64.381 63.200 0.384 0.000 0.865 328 S HN 1.078 nan 8.310 nan 0.000 0.499 329 G N 1.197 109.989 108.800 -0.013 0.000 2.795 329 G HA2 -0.134 3.830 3.960 0.006 0.000 0.664 329 G HA3 -0.134 3.830 3.960 0.006 0.000 0.664 329 G C 0.308 175.268 174.900 0.100 0.000 1.381 329 G CA 0.150 45.261 45.100 0.017 0.000 0.853 329 G HN 1.027 nan 8.290 nan 0.000 0.545 330 T N -3.124 111.462 114.554 0.053 0.000 2.971 330 T HA 0.430 4.784 4.350 0.006 0.000 0.252 330 T C 1.901 176.665 174.700 0.105 0.000 1.022 330 T CA 1.364 63.508 62.100 0.073 0.000 0.980 330 T CB 0.367 69.165 68.868 -0.117 0.000 1.044 330 T HN 2.288 nan 8.240 nan 0.000 0.501 331 V N 0.870 120.818 119.914 0.056 0.000 0.489 331 V HA -0.336 3.788 4.120 0.006 0.000 0.092 331 V C 2.083 178.181 176.094 0.006 0.000 2.367 331 V CA 2.011 64.324 62.300 0.021 0.000 3.630 331 V CB -2.029 29.787 31.823 -0.012 0.000 0.914 331 V HN 0.722 nan 8.190 nan 0.000 0.957 332 V N -1.056 118.833 119.914 -0.042 0.000 3.647 332 V HA 0.684 4.807 4.120 0.006 0.000 0.279 332 V C 1.176 177.167 176.094 -0.171 0.000 1.314 332 V CA 1.210 63.465 62.300 -0.075 0.000 1.125 332 V CB -0.064 31.707 31.823 -0.086 0.000 0.907 332 V HN 0.929 nan 8.190 nan 0.000 0.434 333 G N 1.132 109.795 108.800 -0.228 0.000 2.583 333 G HA2 0.321 4.285 3.960 0.006 0.000 0.280 333 G HA3 0.321 4.285 3.960 0.006 0.000 0.280 333 G C 0.702 175.300 174.900 -0.504 0.000 1.376 333 G CA -0.047 44.833 45.100 -0.367 0.000 1.043 333 G HN 0.432 nan 8.290 nan 0.000 0.538 334 K N -1.213 118.624 120.400 -0.939 0.000 2.362 334 K HA 0.067 4.391 4.320 0.006 0.000 0.200 334 K C 0.192 176.574 176.600 -0.364 0.000 1.046 334 K CA 0.574 56.278 56.287 -0.972 0.000 0.952 334 K CB -0.310 31.634 32.500 -0.928 0.000 0.753 334 K HN 0.183 nan 8.250 nan 0.000 0.466 335 L N 1.614 122.687 121.223 -0.250 0.000 2.331 335 L HA 0.309 4.652 4.340 0.006 0.000 0.275 335 L C -0.040 176.788 176.870 -0.070 0.000 1.022 335 L CA -0.961 53.797 54.840 -0.136 0.000 0.812 335 L CB 1.782 43.778 42.059 -0.105 0.000 1.257 335 L HN 0.071 nan 8.230 nan 0.000 0.435 336 E N 0.721 120.898 120.200 -0.039 0.000 2.373 336 E HA 0.474 4.827 4.350 0.006 0.000 0.267 336 E C -0.344 176.281 176.600 0.042 0.000 1.032 336 E CA -0.041 56.366 56.400 0.011 0.000 0.889 336 E CB 0.808 30.514 29.700 0.011 0.000 0.984 336 E HN 0.755 nan 8.360 nan 0.000 0.425 337 G N 4.146 112.987 108.800 0.069 0.000 1.985 337 G HA2 -0.024 3.940 3.960 0.006 0.000 0.303 337 G HA3 -0.024 3.940 3.960 0.006 0.000 0.303 337 G C -1.057 173.893 174.900 0.083 0.000 1.730 337 G CA -0.712 44.452 45.100 0.106 0.000 1.057 337 G HN 0.455 nan 8.290 nan 0.000 0.515 338 E N 2.250 122.508 120.200 0.097 0.000 2.373 338 E HA 0.141 4.495 4.350 0.006 0.000 0.267 338 E C 1.451 178.054 176.600 0.005 0.000 1.032 338 E CA -0.564 55.873 56.400 0.061 0.000 0.889 338 E CB 1.065 30.814 29.700 0.082 0.000 0.984 338 E HN 0.581 nan 8.360 nan 0.000 0.425 339 R N 3.232 123.718 120.500 -0.023 0.000 2.097 339 R HA -0.198 4.146 4.340 0.006 0.000 0.236 339 R C 1.458 177.690 176.300 -0.113 0.000 1.135 339 R CA 1.807 57.858 56.100 -0.080 0.000 0.934 339 R CB 0.056 30.318 30.300 -0.062 0.000 0.846 339 R HN 0.506 nan 8.270 nan 0.000 0.431 340 E N 0.095 120.253 120.200 -0.070 0.000 2.047 340 E HA -0.122 4.231 4.350 0.006 0.000 0.191 340 E C 2.172 178.721 176.600 -0.085 0.000 0.987 340 E CA 1.066 57.421 56.400 -0.074 0.000 0.799 340 E CB -0.432 29.244 29.700 -0.041 0.000 0.752 340 E HN 0.202 nan 8.360 nan 0.000 0.449 341 V N 1.569 121.462 119.914 -0.034 0.000 2.278 341 V HA -0.311 3.812 4.120 0.006 0.000 0.251 341 V C 2.390 178.335 176.094 -0.247 0.000 1.062 341 V CA 2.410 64.720 62.300 0.016 0.000 1.038 341 V CB -0.981 30.960 31.823 0.196 0.000 0.646 341 V HN 0.308 nan 8.190 nan 0.000 0.447 342 T N 0.119 114.434 114.554 -0.397 0.000 2.708 342 T HA -0.110 4.243 4.350 0.006 0.000 0.266 342 T C 1.880 176.111 174.700 -0.781 0.000 1.037 342 T CA 1.518 63.087 62.100 -0.885 0.000 1.146 342 T CB -0.313 68.316 68.868 -0.400 0.000 0.865 342 T HN 0.304 nan 8.240 nan 0.000 0.435 343 L N 0.750 121.720 121.223 -0.422 0.000 2.079 343 L HA -0.051 4.293 4.340 0.006 0.000 0.210 343 L C 2.963 179.709 176.870 -0.207 0.000 1.081 343 L CA 1.289 55.955 54.840 -0.290 0.000 0.752 343 L CB -1.091 40.847 42.059 -0.202 0.000 0.896 343 L HN 0.367 nan 8.230 nan 0.000 0.433 344 G N 1.212 109.898 108.800 -0.191 0.000 2.480 344 G HA2 -0.338 3.626 3.960 0.006 0.000 0.216 344 G HA3 -0.338 3.626 3.960 0.006 0.000 0.216 344 G C 1.272 176.197 174.900 0.043 0.000 1.200 344 G CA 1.173 46.240 45.100 -0.055 0.000 0.782 344 G HN 0.488 nan 8.290 nan 0.000 0.554 345 F N 0.504 120.537 119.950 0.138 0.000 2.558 345 F HA 0.280 4.811 4.527 0.006 0.000 0.298 345 F C 2.160 178.043 175.800 0.138 0.000 1.119 345 F CA -0.053 58.041 58.000 0.157 0.000 1.451 345 F CB -0.835 38.294 39.000 0.216 0.000 1.091 345 F HN 0.003 nan 8.300 nan 0.000 0.563 346 V N 1.299 121.295 119.914 0.136 0.000 2.358 346 V HA -0.241 3.883 4.120 0.006 0.000 0.246 346 V C 2.123 178.297 176.094 0.133 0.000 1.047 346 V CA 2.270 64.678 62.300 0.179 0.000 1.035 346 V CB -0.654 31.212 31.823 0.072 0.000 0.658 346 V HN 0.228 nan 8.190 nan 0.000 0.452 347 D N 0.089 120.543 120.400 0.090 0.000 2.144 347 D HA -0.131 4.513 4.640 0.006 0.000 0.199 347 D C 2.110 178.500 176.300 0.151 0.000 0.984 347 D CA 1.175 55.235 54.000 0.100 0.000 0.834 347 D CB -0.241 40.606 40.800 0.078 0.000 0.955 347 D HN 0.337 nan 8.370 nan 0.000 0.465 348 L N -0.181 121.167 121.223 0.208 0.000 2.131 348 L HA -0.119 4.224 4.340 0.006 0.000 0.210 348 L C 2.492 179.452 176.870 0.151 0.000 1.092 348 L CA 0.754 55.778 54.840 0.307 0.000 0.759 348 L CB -0.247 42.015 42.059 0.339 0.000 0.903 348 L HN 0.037 nan 8.230 nan 0.000 0.435 349 M N -1.263 118.382 119.600 0.075 0.000 2.200 349 M HA -0.132 4.351 4.480 0.006 0.000 0.265 349 M C 2.312 178.520 176.300 -0.155 0.000 1.066 349 M CA 1.692 56.946 55.300 -0.077 0.000 1.127 349 M CB -0.104 32.519 32.600 0.038 0.000 1.379 349 M HN 0.112 nan 8.290 nan 0.000 0.420 350 R N -0.597 119.876 120.500 -0.045 0.000 2.146 350 R HA 0.088 4.432 4.340 0.006 0.000 0.206 350 R C -0.048 176.235 176.300 -0.029 0.000 1.049 350 R CA 0.322 56.401 56.100 -0.036 0.000 1.029 350 R CB 0.182 30.499 30.300 0.029 0.000 0.949 350 R HN 0.249 nan 8.270 nan 0.000 0.471 351 D N 0.266 120.685 120.400 0.032 0.000 2.312 351 D HA 0.004 4.648 4.640 0.006 0.000 0.248 351 D C 0.284 176.688 176.300 0.173 0.000 1.086 351 D CA -0.091 53.972 54.000 0.105 0.000 0.948 351 D CB 1.204 42.093 40.800 0.148 0.000 1.162 351 D HN -0.106 nan 8.370 nan 0.000 0.446 352 D N -0.806 119.723 120.400 0.215 0.000 2.194 352 D HA -0.101 4.542 4.640 0.006 0.000 0.204 352 D C -0.629 175.932 176.300 0.435 0.000 0.964 352 D CA 0.774 54.956 54.000 0.305 0.000 0.846 352 D CB 0.228 41.159 40.800 0.219 0.000 0.962 352 D HN 0.331 nan 8.370 nan 0.000 0.490 353 Y N -0.389 120.034 120.300 0.206 0.000 2.362 353 Y HA 0.425 4.978 4.550 0.005 0.000 0.326 353 Y C -1.707 174.270 175.900 0.128 0.000 1.083 353 Y CA -0.950 57.235 58.100 0.142 0.000 1.073 353 Y CB 1.566 40.078 38.460 0.086 0.000 1.211 353 Y HN -0.329 nan 8.280 nan 0.000 0.433 354 V N 5.948 125.772 119.914 -0.150 0.000 2.443 354 V HA 0.333 4.457 4.120 0.006 0.000 0.293 354 V C -0.489 175.492 176.094 -0.187 0.000 1.021 354 V CA -1.009 61.260 62.300 -0.052 0.000 0.848 354 V CB 1.498 33.354 31.823 0.053 0.000 0.998 354 V HN 0.709 nan 8.190 nan 0.000 0.424 355 E N 2.833 122.995 120.200 -0.063 0.000 2.366 355 E HA 0.184 4.537 4.350 0.006 0.000 0.266 355 E C -0.005 176.581 176.600 -0.024 0.000 1.051 355 E CA -0.581 55.794 56.400 -0.041 0.000 0.884 355 E CB 1.381 31.122 29.700 0.068 0.000 1.006 355 E HN 0.530 nan 8.360 nan 0.000 0.417 356 K N 2.013 122.402 120.400 -0.019 0.000 2.550 356 K HA -0.149 4.174 4.320 0.006 0.000 0.280 356 K C -0.654 175.926 176.600 -0.034 0.000 0.987 356 K CA 0.814 57.090 56.287 -0.019 0.000 1.048 356 K CB 0.281 32.774 32.500 -0.011 0.000 0.879 356 K HN 0.390 nan 8.250 nan 0.000 0.491 357 D N 3.707 124.070 120.400 -0.061 0.000 2.362 357 D HA 0.129 4.773 4.640 0.006 0.000 0.232 357 D C 0.182 176.413 176.300 -0.115 0.000 1.329 357 D CA -0.463 53.496 54.000 -0.068 0.000 0.944 357 D CB 0.564 41.343 40.800 -0.035 0.000 1.471 357 D HN 0.484 nan 8.370 nan 0.000 0.533 358 R N 0.812 121.211 120.500 -0.168 0.000 2.189 358 R HA -0.040 4.304 4.340 0.006 0.000 0.223 358 R C 1.785 177.981 176.300 -0.173 0.000 1.092 358 R CA 1.063 57.008 56.100 -0.258 0.000 0.989 358 R CB -0.435 29.684 30.300 -0.300 0.000 0.876 358 R HN 0.493 nan 8.270 nan 0.000 0.457 359 S N 0.156 115.790 115.700 -0.110 0.000 2.507 359 S HA -0.026 4.448 4.470 0.006 0.000 0.235 359 S C 1.496 176.060 174.600 -0.061 0.000 0.988 359 S CA 0.575 58.731 58.200 -0.075 0.000 0.944 359 S CB 0.020 63.188 63.200 -0.055 0.000 0.762 359 S HN 0.253 nan 8.310 nan 0.000 0.526 360 R N -0.004 120.457 120.500 -0.064 0.000 2.543 360 R HA 0.311 4.654 4.340 0.006 0.000 0.323 360 R C 1.124 177.408 176.300 -0.027 0.000 1.002 360 R CA 0.306 56.379 56.100 -0.044 0.000 1.106 360 R CB 0.484 30.759 30.300 -0.041 0.000 1.280 360 R HN 0.499 nan 8.270 nan 0.000 0.549 361 G N 1.872 110.635 108.800 -0.061 0.000 2.143 361 G HA2 -0.273 3.691 3.960 0.006 0.000 0.248 361 G HA3 -0.273 3.691 3.960 0.006 0.000 0.248 361 G C 0.115 175.056 174.900 0.068 0.000 0.991 361 G CA -0.071 45.016 45.100 -0.022 0.000 0.689 361 G HN 0.270 nan 8.290 nan 0.000 0.522 362 I N 0.698 121.264 120.570 -0.007 0.000 2.291 362 I HA 0.322 4.495 4.170 0.006 0.000 0.292 362 I C 1.232 177.331 176.117 -0.029 0.000 1.064 362 I CA -0.898 60.434 61.300 0.053 0.000 1.269 362 I CB 0.490 38.512 38.000 0.037 0.000 1.418 362 I HN 0.064 nan 8.210 nan 0.000 0.485 363 Y N 5.318 125.493 120.300 -0.209 0.000 2.475 363 Y HA 0.184 4.737 4.550 0.006 0.000 0.289 363 Y C 0.180 175.734 175.900 -0.577 0.000 1.121 363 Y CA 0.353 58.190 58.100 -0.438 0.000 1.257 363 Y CB -0.002 38.049 38.460 -0.682 0.000 1.026 363 Y HN 0.302 nan 8.280 nan 0.000 0.555 364 F N -1.662 118.383 119.950 0.158 0.000 2.578 364 F HA 0.367 4.899 4.527 0.008 0.000 0.311 364 F C 0.198 175.976 175.800 -0.037 0.000 1.094 364 F CA -1.845 56.191 58.000 0.059 0.000 0.923 364 F CB 0.977 40.004 39.000 0.044 0.000 1.230 364 F HN -0.489 nan 8.300 nan 0.000 0.450 365 T N 2.030 116.653 114.554 0.115 0.000 2.853 365 T HA 0.198 4.552 4.350 0.006 0.000 0.298 365 T C -0.339 174.247 174.700 -0.191 0.000 0.978 365 T CA 0.117 62.162 62.100 -0.092 0.000 1.152 365 T CB 0.393 69.196 68.868 -0.108 0.000 0.914 365 T HN 0.439 nan 8.240 nan 0.000 0.539 366 Q N 2.840 122.440 119.800 -0.332 0.000 2.333 366 Q HA 0.331 4.674 4.340 0.006 0.000 0.268 366 Q C -1.397 174.273 176.000 -0.550 0.000 1.007 366 Q CA -0.665 54.882 55.803 -0.428 0.000 0.810 366 Q CB 1.219 29.727 28.738 -0.383 0.000 1.264 366 Q HN 0.476 nan 8.270 nan 0.000 0.452 367 D N 3.964 124.091 120.400 -0.455 0.000 2.349 367 D HA 0.259 4.902 4.640 0.006 0.000 0.232 367 D C -1.082 175.096 176.300 -0.204 0.000 1.071 367 D CA -0.226 53.675 54.000 -0.166 0.000 0.832 367 D CB 0.406 41.240 40.800 0.057 0.000 1.086 367 D HN 0.470 nan 8.370 nan 0.000 0.504 371 M N 3.898 123.577 119.600 0.132 0.000 2.260 371 M HA 0.191 4.675 4.480 0.006 0.000 0.348 371 M C -2.585 173.700 176.300 -0.026 0.000 1.342 371 M CA -0.781 54.559 55.300 0.066 0.000 1.040 371 M CB 0.228 32.900 32.600 0.119 0.000 1.810 371 M HN -0.146 nan 8.290 nan 0.000 0.453 372 P HA 0.109 nan 4.420 nan 0.000 0.267 372 P C -0.527 176.681 177.300 -0.154 0.000 1.201 372 P CA -0.061 62.998 63.100 -0.067 0.000 0.775 372 P CB 0.352 32.022 31.700 -0.050 0.000 0.854 373 G N 0.642 109.369 108.800 -0.122 0.000 2.448 373 G HA2 0.472 4.436 3.960 0.006 0.000 0.285 373 G HA3 0.472 4.436 3.960 0.006 0.000 0.285 373 G C -0.910 173.917 174.900 -0.121 0.000 1.176 373 G CA -0.443 44.559 45.100 -0.163 0.000 0.852 373 G HN 0.353 nan 8.290 nan 0.000 0.530 374 V N 2.488 122.314 119.914 -0.146 0.000 2.394 374 V HA 0.282 4.406 4.120 0.006 0.000 0.282 374 V C 0.395 176.462 176.094 -0.044 0.000 1.031 374 V CA -0.730 61.510 62.300 -0.099 0.000 0.881 374 V CB 1.440 33.170 31.823 -0.155 0.000 0.982 374 V HN 0.822 nan 8.190 nan 0.000 0.451 375 M N 9.794 129.391 119.600 -0.005 0.000 2.307 375 M HA 0.273 4.756 4.480 0.006 0.000 0.346 375 M C -2.267 173.980 176.300 -0.089 0.000 1.552 375 M CA -1.134 54.143 55.300 -0.039 0.000 1.116 375 M CB 0.495 33.061 32.600 -0.055 0.000 1.889 375 M HN 0.362 nan 8.290 nan 0.000 0.460 376 P HA 0.086 nan 4.420 nan 0.000 0.271 376 P C -1.235 175.911 177.300 -0.256 0.000 1.216 376 P CA -0.189 62.868 63.100 -0.071 0.000 0.771 376 P CB 0.583 32.330 31.700 0.079 0.000 0.864 377 V N 3.047 122.781 119.914 -0.301 0.000 2.357 377 V HA 0.477 4.600 4.120 0.006 0.000 0.284 377 V C 0.540 176.323 176.094 -0.517 0.000 1.018 377 V CA -0.829 61.202 62.300 -0.448 0.000 0.841 377 V CB 1.099 32.626 31.823 -0.494 0.000 0.991 377 V HN 0.676 nan 8.190 nan 0.000 0.437 378 A N 3.980 126.435 122.820 -0.609 0.000 2.276 378 A HA 0.797 5.121 4.320 0.006 0.000 0.300 378 A C 0.137 177.450 177.584 -0.452 0.000 1.235 378 A CA -0.172 51.531 52.037 -0.557 0.000 0.867 378 A CB 0.848 19.374 19.000 -0.790 0.000 1.137 378 A HN 0.945 nan 8.150 nan 0.000 0.527 379 S N 1.923 117.425 115.700 -0.331 0.000 2.533 379 S HA 0.729 5.203 4.470 0.006 0.000 0.271 379 S C -0.525 173.964 174.600 -0.186 0.000 1.143 379 S CA 0.430 58.469 58.200 -0.269 0.000 0.891 379 S CB 1.176 64.280 63.200 -0.160 0.000 1.105 379 S HN 2.616 nan 8.310 nan 0.000 0.468 380 G N 1.719 110.395 108.800 -0.206 0.000 2.949 380 G HA2 0.455 4.419 3.960 0.006 0.000 0.658 380 G HA3 0.455 4.419 3.960 0.006 0.000 0.658 380 G C 0.869 175.607 174.900 -0.270 0.000 1.194 380 G CA 0.356 45.348 45.100 -0.180 0.000 1.204 380 G HN 2.247 nan 8.290 nan 0.000 0.524 381 G N 0.185 108.850 108.800 -0.225 0.000 2.147 381 G HA2 -0.021 3.942 3.960 0.006 0.000 0.244 381 G HA3 -0.021 3.942 3.960 0.006 0.000 0.244 381 G C 0.593 175.461 174.900 -0.053 0.000 1.005 381 G CA 0.890 45.844 45.100 -0.244 0.000 0.713 381 G HN 2.276 nan 8.290 nan 0.000 0.515 382 I N -1.818 118.700 120.570 -0.087 0.000 2.577 382 I HA 0.953 5.126 4.170 0.006 0.000 0.305 382 I C 0.253 176.581 176.117 0.352 0.000 0.986 382 I CA -1.268 60.057 61.300 0.042 0.000 1.189 382 I CB 1.520 39.375 38.000 -0.242 0.000 1.355 382 I HN 0.348 nan 8.210 nan 0.000 0.476 383 H N 1.529 120.977 119.070 0.629 0.000 2.947 383 H HA 0.462 5.021 4.556 0.006 0.000 0.290 383 H C 0.630 176.107 175.328 0.248 0.000 1.430 383 H CA -0.402 55.804 56.048 0.265 0.000 1.189 383 H CB 0.496 30.151 29.762 -0.179 0.000 1.875 383 H HN 0.338 nan 8.280 nan 0.000 0.568 384 V N -2.790 117.284 119.914 0.267 0.000 2.380 384 V HA -0.229 3.895 4.120 0.006 0.000 0.251 384 V C 1.383 177.477 176.094 -0.000 0.000 1.063 384 V CA 1.809 64.109 62.300 0.001 0.000 1.055 384 V CB -1.260 30.479 31.823 -0.141 0.000 0.657 384 V HN 0.773 nan 8.190 nan 0.000 0.455 385 W N -0.141 121.286 121.300 0.211 0.000 2.465 385 W HA 0.010 4.674 4.660 0.006 0.000 0.268 385 W C 2.640 179.116 176.519 -0.073 0.000 1.242 385 W CA 1.183 58.561 57.345 0.055 0.000 1.248 385 W CB -0.510 29.018 29.460 0.114 0.000 1.118 385 W HN 0.357 nan 8.180 nan 0.000 0.587 386 H N -0.790 118.390 119.070 0.182 0.000 2.529 386 H HA -0.032 4.528 4.556 0.006 0.000 0.277 386 H C 1.911 177.331 175.328 0.153 0.000 0.999 386 H CA 1.141 57.258 56.048 0.115 0.000 1.256 386 H CB -0.472 29.301 29.762 0.019 0.000 1.402 386 H HN 0.178 nan 8.280 nan 0.000 0.566 387 M N 1.510 121.259 119.600 0.248 0.000 2.073 387 M HA -0.093 4.391 4.480 0.006 0.000 0.258 387 M C -0.921 175.477 176.300 0.162 0.000 1.070 387 M CA 1.681 57.101 55.300 0.200 0.000 1.103 387 M CB -0.972 31.687 32.600 0.099 0.000 1.321 387 M HN 0.061 nan 8.290 nan 0.000 0.405 388 P HA -0.114 nan 4.420 nan 0.000 0.215 388 P C 1.126 178.500 177.300 0.125 0.000 1.157 388 P CA 2.330 65.500 63.100 0.116 0.000 0.874 388 P CB -0.374 31.396 31.700 0.116 0.000 0.790 389 A N -0.948 121.962 122.820 0.151 0.000 1.930 389 A HA -0.137 4.187 4.320 0.006 0.000 0.217 389 A C 2.239 179.905 177.584 0.136 0.000 1.175 389 A CA 1.311 53.426 52.037 0.130 0.000 0.627 389 A CB -1.594 17.497 19.000 0.152 0.000 0.815 389 A HN 0.103 nan 8.150 nan 0.000 0.443 390 L N -0.602 120.740 121.223 0.198 0.000 2.027 390 L HA -0.147 4.196 4.340 0.006 0.000 0.206 390 L C 2.505 179.553 176.870 0.295 0.000 1.074 390 L CA 1.127 56.141 54.840 0.291 0.000 0.745 390 L CB -0.586 41.623 42.059 0.250 0.000 0.898 390 L HN 0.234 nan 8.230 nan 0.000 0.433 391 V N -0.326 119.704 119.914 0.193 0.000 2.490 391 V HA -0.254 3.870 4.120 0.006 0.000 0.250 391 V C 2.555 178.717 176.094 0.112 0.000 1.061 391 V CA 1.740 64.130 62.300 0.150 0.000 1.064 391 V CB -0.536 31.352 31.823 0.108 0.000 0.670 391 V HN 0.487 nan 8.190 nan 0.000 0.461 392 E N 0.290 120.540 120.200 0.084 0.000 2.072 392 E HA -0.154 4.200 4.350 0.006 0.000 0.190 392 E C 2.154 178.742 176.600 -0.020 0.000 0.982 392 E CA 1.338 57.758 56.400 0.035 0.000 0.803 392 E CB -0.049 29.669 29.700 0.031 0.000 0.755 392 E HN 0.611 nan 8.360 nan 0.000 0.453 393 I N -0.342 120.186 120.570 -0.071 0.000 2.233 393 I HA -0.222 3.952 4.170 0.006 0.000 0.243 393 I C 1.928 177.817 176.117 -0.380 0.000 1.093 393 I CA 1.058 62.176 61.300 -0.304 0.000 1.380 393 I CB -0.168 37.511 38.000 -0.536 0.000 1.067 393 I HN 0.023 nan 8.210 nan 0.000 0.413 394 F N 0.132 120.079 119.950 -0.005 0.000 2.505 394 F HA 0.347 4.877 4.527 0.006 0.000 0.289 394 F C 1.657 177.460 175.800 0.004 0.000 1.101 394 F CA 0.606 58.602 58.000 -0.007 0.000 1.446 394 F CB -0.658 38.334 39.000 -0.013 0.000 1.123 394 F HN 0.140 nan 8.300 nan 0.000 0.564 395 G N 0.804 109.708 108.800 0.173 0.000 2.593 395 G HA2 -0.286 3.678 3.960 0.006 0.000 0.237 395 G HA3 -0.286 3.678 3.960 0.006 0.000 0.237 395 G C 0.174 175.145 174.900 0.119 0.000 1.312 395 G CA 0.170 45.339 45.100 0.115 0.000 0.896 395 G HN 0.156 nan 8.290 nan 0.000 0.574 396 D N 0.587 121.040 120.400 0.088 0.000 2.194 396 D HA 0.082 4.725 4.640 0.006 0.000 0.204 396 D C 0.938 177.277 176.300 0.066 0.000 0.964 396 D CA 1.163 55.208 54.000 0.075 0.000 0.846 396 D CB -0.139 40.703 40.800 0.071 0.000 0.962 396 D HN 0.371 nan 8.370 nan 0.000 0.490 397 D N 0.927 121.371 120.400 0.073 0.000 2.608 397 D HA 0.444 5.088 4.640 0.006 0.000 0.224 397 D C -0.315 176.006 176.300 0.035 0.000 1.123 397 D CA 0.153 54.186 54.000 0.055 0.000 1.030 397 D CB 0.036 40.873 40.800 0.061 0.000 1.093 397 D HN 0.031 nan 8.370 nan 0.000 0.497 398 A N 0.204 123.017 122.820 -0.012 0.000 2.612 398 A HA 0.517 4.841 4.320 0.006 0.000 0.293 398 A C -1.166 176.329 177.584 -0.148 0.000 1.075 398 A CA -0.764 51.205 52.037 -0.114 0.000 0.680 398 A CB 1.526 20.436 19.000 -0.150 0.000 1.279 398 A HN 0.378 nan 8.150 nan 0.000 0.411 399 C N 2.080 121.232 119.300 -0.245 0.000 2.322 399 C HA 0.765 5.229 4.460 0.006 0.000 0.324 399 C C -0.734 174.110 174.990 -0.242 0.000 1.284 399 C CA -0.568 58.342 59.018 -0.180 0.000 1.606 399 C CB -1.015 26.610 27.740 -0.192 0.000 2.251 399 C HN 0.648 nan 8.230 nan 0.000 0.502 400 L N 6.479 127.616 121.223 -0.143 0.000 2.287 400 L HA 0.518 4.861 4.340 0.006 0.000 0.287 400 L C -0.095 176.634 176.870 -0.234 0.000 1.022 400 L CA -0.104 54.596 54.840 -0.232 0.000 0.814 400 L CB 1.037 43.057 42.059 -0.066 0.000 1.217 400 L HN 0.637 nan 8.230 nan 0.000 0.420 401 Q N 3.138 122.660 119.800 -0.464 0.000 2.316 401 Q HA 0.550 4.894 4.340 0.006 0.000 0.264 401 Q C -1.488 174.180 176.000 -0.553 0.000 0.987 401 Q CA -0.436 55.175 55.803 -0.319 0.000 0.852 401 Q CB 2.412 31.037 28.738 -0.188 0.000 1.287 401 Q HN 0.427 nan 8.270 nan 0.000 0.448 402 F N 1.050 120.975 119.950 -0.042 0.000 2.532 402 F HA 0.342 4.872 4.527 0.006 0.000 0.365 402 F C 0.865 176.646 175.800 -0.031 0.000 1.112 402 F CA -0.666 57.309 58.000 -0.043 0.000 1.082 402 F CB 1.237 40.217 39.000 -0.035 0.000 1.319 402 F HN 0.747 nan 8.300 nan 0.000 0.457 403 G N 1.559 110.405 108.800 0.078 0.000 2.654 403 G HA2 0.023 3.986 3.960 0.006 0.000 0.215 403 G HA3 0.023 3.986 3.960 0.006 0.000 0.215 403 G C 1.783 176.731 174.900 0.080 0.000 1.310 403 G CA 0.652 45.789 45.100 0.063 0.000 0.866 403 G HN 0.736 nan 8.290 nan 0.000 0.558 404 G N 0.657 109.494 108.800 0.062 0.000 2.442 404 G HA2 0.039 4.003 3.960 0.006 0.000 0.219 404 G HA3 0.039 4.003 3.960 0.006 0.000 0.219 404 G C 1.684 176.614 174.900 0.049 0.000 1.141 404 G CA 1.365 46.513 45.100 0.080 0.000 0.763 404 G HN 0.722 nan 8.290 nan 0.000 0.554 405 G N -0.809 107.966 108.800 -0.042 0.000 2.708 405 G HA2 0.138 4.102 3.960 0.006 0.000 0.210 405 G HA3 0.138 4.102 3.960 0.006 0.000 0.210 405 G C 1.414 176.379 174.900 0.109 0.000 1.141 405 G CA 1.573 46.567 45.100 -0.177 0.000 0.788 405 G HN 0.425 nan 8.290 nan 0.000 0.531 406 T N 0.030 114.690 114.554 0.177 0.000 3.138 406 T HA 0.102 4.456 4.350 0.006 0.000 0.245 406 T C 1.920 176.736 174.700 0.193 0.000 0.982 406 T CA -0.131 62.068 62.100 0.165 0.000 1.134 406 T CB -0.010 68.915 68.868 0.096 0.000 1.032 406 T HN 0.055 nan 8.240 nan 0.000 0.442 407 L N 1.542 122.859 121.223 0.157 0.000 2.552 407 L HA 0.295 4.638 4.340 0.006 0.000 0.227 407 L C 2.173 179.160 176.870 0.194 0.000 1.146 407 L CA 0.794 55.715 54.840 0.134 0.000 0.858 407 L CB -0.183 41.921 42.059 0.075 0.000 0.969 407 L HN 0.372 nan 8.230 nan 0.000 0.451 408 G N -3.114 105.873 108.800 0.312 0.000 3.126 408 G HA2 -0.059 3.904 3.960 0.006 0.000 0.224 408 G HA3 -0.059 3.904 3.960 0.006 0.000 0.224 408 G C 0.476 175.592 174.900 0.361 0.000 1.142 408 G CA -0.295 45.036 45.100 0.386 0.000 0.759 408 G HN 0.257 nan 8.290 nan 0.000 0.550 409 H N 2.066 121.288 119.070 0.253 0.000 2.848 409 H HA 0.085 4.645 4.556 0.006 0.000 0.341 409 H C -1.084 174.204 175.328 -0.066 0.000 1.060 409 H CA -1.129 54.919 56.048 -0.001 0.000 1.444 409 H CB 2.015 31.790 29.762 0.022 0.000 1.446 409 H HN 0.003 nan 8.280 nan 0.000 0.583 410 P HA -0.152 nan 4.420 nan 0.000 0.221 410 P C 0.689 178.201 177.300 0.354 0.000 1.145 410 P CA 1.179 64.251 63.100 -0.047 0.000 0.795 410 P CB 0.072 31.634 31.700 -0.229 0.000 0.775 411 W N -0.023 121.453 121.300 0.293 0.000 3.220 411 W HA 0.513 5.176 4.660 0.006 0.000 0.328 411 W C 1.115 177.675 176.519 0.067 0.000 1.205 411 W CA 0.462 57.898 57.345 0.151 0.000 1.773 411 W CB -0.571 28.966 29.460 0.130 0.000 1.086 411 W HN 0.056 nan 8.180 nan 0.000 0.622 412 G N 0.868 109.837 108.800 0.281 0.000 2.483 412 G HA2 -0.269 3.695 3.960 0.006 0.000 0.521 412 G HA3 -0.269 3.695 3.960 0.006 0.000 0.521 412 G C 0.555 175.484 174.900 0.048 0.000 1.278 412 G CA -0.161 45.016 45.100 0.130 0.000 0.965 412 G HN -0.050 nan 8.290 nan 0.000 0.504 413 N N -0.005 118.698 118.700 0.004 0.000 2.135 413 N HA 0.103 4.847 4.740 0.006 0.000 0.186 413 N C 2.706 178.161 175.510 -0.090 0.000 1.027 413 N CA 2.412 55.443 53.050 -0.032 0.000 0.849 413 N CB -0.691 37.769 38.487 -0.045 0.000 1.002 413 N HN 1.043 nan 8.380 nan 0.000 0.425 414 A N 1.625 124.379 122.820 -0.109 0.000 1.858 414 A HA -0.051 4.273 4.320 0.006 0.000 0.216 414 A C -0.216 177.282 177.584 -0.143 0.000 1.190 414 A CA 1.442 53.398 52.037 -0.133 0.000 0.617 414 A CB -1.572 17.343 19.000 -0.141 0.000 0.827 414 A HN 0.218 nan 8.150 nan 0.000 0.443 415 P HA -0.082 nan 4.420 nan 0.000 0.217 415 P C 1.731 178.693 177.300 -0.563 0.000 1.150 415 P CA 1.664 64.606 63.100 -0.263 0.000 0.832 415 P CB -0.375 31.254 31.700 -0.118 0.000 0.787 416 G N 0.244 108.694 108.800 -0.583 0.000 2.440 416 G HA2 -0.281 3.682 3.960 0.006 0.000 0.218 416 G HA3 -0.281 3.682 3.960 0.006 0.000 0.218 416 G C 1.665 176.466 174.900 -0.165 0.000 1.154 416 G CA 1.056 45.957 45.100 -0.332 0.000 0.767 416 G HN 0.330 nan 8.290 nan 0.000 0.552 417 A N 1.135 123.870 122.820 -0.141 0.000 1.898 417 A HA 0.298 4.622 4.320 0.006 0.000 0.216 417 A C 2.832 180.344 177.584 -0.121 0.000 1.181 417 A CA 2.251 54.222 52.037 -0.110 0.000 0.620 417 A CB -0.829 18.114 19.000 -0.095 0.000 0.819 417 A HN 0.823 nan 8.150 nan 0.000 0.442 418 A N -0.123 122.619 122.820 -0.130 0.000 1.933 418 A HA 0.151 4.475 4.320 0.006 0.000 0.218 418 A C 2.486 180.011 177.584 -0.099 0.000 1.175 418 A CA 2.081 54.059 52.037 -0.099 0.000 0.628 418 A CB -0.973 17.974 19.000 -0.088 0.000 0.814 418 A HN 1.044 nan 8.150 nan 0.000 0.444 419 A N 0.355 123.092 122.820 -0.139 0.000 1.902 419 A HA -0.231 4.092 4.320 0.006 0.000 0.217 419 A C 1.895 179.397 177.584 -0.136 0.000 1.181 419 A CA 1.870 53.840 52.037 -0.112 0.000 0.623 419 A CB -0.834 18.125 19.000 -0.069 0.000 0.818 419 A HN 0.702 nan 8.150 nan 0.000 0.443 420 N N -1.236 117.344 118.700 -0.200 0.000 2.188 420 N HA -0.139 4.605 4.740 0.006 0.000 0.184 420 N C 1.950 177.344 175.510 -0.193 0.000 1.018 420 N CA 1.255 54.105 53.050 -0.333 0.000 0.858 420 N CB -0.124 38.035 38.487 -0.547 0.000 0.989 420 N HN 0.433 nan 8.380 nan 0.000 0.426 421 R N 1.192 121.621 120.500 -0.118 0.000 2.066 421 R HA -0.008 4.336 4.340 0.006 0.000 0.232 421 R C 1.767 178.051 176.300 -0.027 0.000 1.131 421 R CA 1.075 57.140 56.100 -0.058 0.000 0.955 421 R CB -0.820 29.453 30.300 -0.045 0.000 0.851 421 R HN -0.009 nan 8.270 nan 0.000 0.432 422 V N 1.109 121.018 119.914 -0.008 0.000 2.252 422 V HA -0.289 3.835 4.120 0.006 0.000 0.249 422 V C 2.394 178.492 176.094 0.007 0.000 1.056 422 V CA 2.166 64.495 62.300 0.048 0.000 1.022 422 V CB -1.130 30.764 31.823 0.119 0.000 0.641 422 V HN 0.575 nan 8.190 nan 0.000 0.445 423 A N -0.251 122.542 122.820 -0.044 0.000 1.892 423 A HA -0.250 4.074 4.320 0.006 0.000 0.218 423 A C 2.192 179.757 177.584 -0.032 0.000 1.188 423 A CA 2.384 54.382 52.037 -0.065 0.000 0.631 423 A CB -0.680 18.245 19.000 -0.125 0.000 0.822 423 A HN 0.487 nan 8.150 nan 0.000 0.447 424 L N -0.002 121.204 121.223 -0.028 0.000 2.017 424 L HA -0.166 4.178 4.340 0.006 0.000 0.208 424 L C 2.216 179.092 176.870 0.010 0.000 1.073 424 L CA 2.571 57.417 54.840 0.010 0.000 0.745 424 L CB -0.689 41.384 42.059 0.023 0.000 0.894 424 L HN 0.531 nan 8.230 nan 0.000 0.432 425 E N -0.342 119.858 120.200 -0.000 0.000 2.077 425 E HA -0.209 4.145 4.350 0.006 0.000 0.193 425 E C 2.163 178.752 176.600 -0.019 0.000 0.989 425 E CA 1.059 57.456 56.400 -0.005 0.000 0.800 425 E CB -0.318 29.379 29.700 -0.005 0.000 0.746 425 E HN 0.681 nan 8.360 nan 0.000 0.452 426 A N 1.029 123.834 122.820 -0.025 0.000 1.883 426 A HA -0.219 4.105 4.320 0.006 0.000 0.217 426 A C 2.482 180.053 177.584 -0.022 0.000 1.186 426 A CA 1.411 53.423 52.037 -0.041 0.000 0.624 426 A CB -0.977 18.000 19.000 -0.038 0.000 0.822 426 A HN 0.372 nan 8.150 nan 0.000 0.444 427 C N -0.997 118.301 119.300 -0.004 0.000 2.413 427 C HA -0.084 4.379 4.460 0.006 0.000 0.277 427 C C 3.040 178.040 174.990 0.017 0.000 1.265 427 C CA 1.556 60.583 59.018 0.015 0.000 1.752 427 C CB -1.575 26.186 27.740 0.035 0.000 1.998 427 C HN 0.664 nan 8.230 nan 0.000 0.489 428 T N -0.036 114.527 114.554 0.016 0.000 2.770 428 T HA -0.223 4.131 4.350 0.006 0.000 0.263 428 T C 1.870 176.574 174.700 0.007 0.000 1.039 428 T CA 1.528 63.640 62.100 0.019 0.000 1.142 428 T CB -0.384 68.497 68.868 0.021 0.000 0.868 428 T HN 0.662 nan 8.240 nan 0.000 0.435 429 Q N 0.775 120.570 119.800 -0.008 0.000 2.061 429 Q HA -0.150 4.194 4.340 0.006 0.000 0.204 429 Q C 2.500 178.490 176.000 -0.017 0.000 0.984 429 Q CA 1.663 57.454 55.803 -0.020 0.000 0.846 429 Q CB -0.326 28.385 28.738 -0.045 0.000 0.902 429 Q HN 0.527 nan 8.270 nan 0.000 0.421 430 A N 1.472 124.284 122.820 -0.015 0.000 1.883 430 A HA -0.242 4.081 4.320 0.006 0.000 0.217 430 A C 2.163 179.748 177.584 0.002 0.000 1.186 430 A CA 1.671 53.703 52.037 -0.008 0.000 0.624 430 A CB -0.819 18.179 19.000 -0.003 0.000 0.822 430 A HN 0.469 nan 8.150 nan 0.000 0.444 431 R N 0.119 120.625 120.500 0.010 0.000 2.091 431 R HA -0.169 4.175 4.340 0.006 0.000 0.238 431 R C 1.853 178.160 176.300 0.011 0.000 1.136 431 R CA 1.934 58.043 56.100 0.015 0.000 0.959 431 R CB -0.591 29.723 30.300 0.024 0.000 0.856 431 R HN 0.740 nan 8.270 nan 0.000 0.437 432 N N 0.087 118.792 118.700 0.008 0.000 2.223 432 N HA -0.155 4.589 4.740 0.006 0.000 0.185 432 N C 1.024 176.535 175.510 0.001 0.000 1.016 432 N CA 1.084 54.138 53.050 0.006 0.000 0.863 432 N CB -0.001 38.488 38.487 0.004 0.000 0.983 432 N HN 0.440 nan 8.380 nan 0.000 0.429 433 E N -0.385 119.813 120.200 -0.003 0.000 2.502 433 E HA 0.041 4.395 4.350 0.006 0.000 0.194 433 E C 0.927 177.526 176.600 -0.002 0.000 1.062 433 E CA 0.094 56.490 56.400 -0.006 0.000 0.867 433 E CB 0.344 30.036 29.700 -0.012 0.000 0.888 433 E HN 0.457 nan 8.360 nan 0.000 0.510 434 G N 1.749 110.551 108.800 0.002 0.000 2.179 434 G HA2 -0.240 3.724 3.960 0.006 0.000 0.220 434 G HA3 -0.240 3.724 3.960 0.006 0.000 0.220 434 G C 0.173 175.076 174.900 0.006 0.000 0.990 434 G CA -0.451 44.651 45.100 0.004 0.000 0.646 434 G HN 0.068 nan 8.290 nan 0.000 0.517 435 R N 0.651 121.155 120.500 0.007 0.000 2.594 435 R HA 0.337 4.681 4.340 0.006 0.000 0.272 435 R C -0.798 175.511 176.300 0.015 0.000 1.074 435 R CA -0.384 55.722 56.100 0.010 0.000 1.105 435 R CB 0.680 30.986 30.300 0.009 0.000 1.008 435 R HN 0.196 nan 8.270 nan 0.000 0.472 436 D N 3.112 123.522 120.400 0.017 0.000 2.347 436 D HA 0.073 4.716 4.640 0.006 0.000 0.235 436 D C 1.028 177.344 176.300 0.027 0.000 1.149 436 D CA -0.194 53.818 54.000 0.020 0.000 0.850 436 D CB 0.871 41.681 40.800 0.017 0.000 1.061 436 D HN 0.409 nan 8.370 nan 0.000 0.487 437 L N 3.063 124.305 121.223 0.031 0.000 2.201 437 L HA -0.079 4.264 4.340 0.006 0.000 0.212 437 L C 2.319 179.218 176.870 0.048 0.000 1.105 437 L CA 0.863 55.728 54.840 0.042 0.000 0.775 437 L CB -0.194 41.893 42.059 0.047 0.000 0.913 437 L HN 0.447 nan 8.230 nan 0.000 0.440 438 A N 0.393 123.236 122.820 0.037 0.000 1.930 438 A HA -0.156 4.168 4.320 0.006 0.000 0.217 438 A C 2.383 179.990 177.584 0.038 0.000 1.175 438 A CA 1.342 53.401 52.037 0.036 0.000 0.627 438 A CB -0.246 18.767 19.000 0.022 0.000 0.815 438 A HN 0.382 nan 8.150 nan 0.000 0.443 439 R N -0.928 119.593 120.500 0.034 0.000 2.146 439 R HA 0.113 4.456 4.340 0.006 0.000 0.206 439 R C 0.956 177.280 176.300 0.040 0.000 1.049 439 R CA 0.979 57.099 56.100 0.033 0.000 1.029 439 R CB 0.028 30.343 30.300 0.024 0.000 0.949 439 R HN 0.530 nan 8.270 nan 0.000 0.471 440 E N 0.293 120.518 120.200 0.042 0.000 2.501 440 E HA 0.109 4.463 4.350 0.006 0.000 0.201 440 E C 1.406 178.043 176.600 0.060 0.000 1.016 440 E CA -0.069 56.358 56.400 0.046 0.000 0.920 440 E CB 0.994 30.714 29.700 0.034 0.000 1.023 440 E HN 0.362 nan 8.360 nan 0.000 0.474 441 G N 1.513 110.356 108.800 0.073 0.000 2.446 441 G HA2 -0.285 3.679 3.960 0.006 0.000 0.217 441 G HA3 -0.285 3.679 3.960 0.006 0.000 0.217 441 G C 1.499 176.472 174.900 0.121 0.000 1.168 441 G CA 0.910 46.065 45.100 0.091 0.000 0.771 441 G HN 0.386 nan 8.290 nan 0.000 0.551 442 G N 0.594 109.486 108.800 0.153 0.000 2.418 442 G HA2 -0.177 3.787 3.960 0.006 0.000 0.217 442 G HA3 -0.177 3.787 3.960 0.006 0.000 0.217 442 G C 1.491 176.501 174.900 0.184 0.000 1.158 442 G CA 1.313 46.550 45.100 0.228 0.000 0.771 442 G HN 0.329 nan 8.290 nan 0.000 0.545 443 D N 0.197 120.666 120.400 0.115 0.000 2.117 443 D HA -0.089 4.555 4.640 0.006 0.000 0.197 443 D C 2.815 179.151 176.300 0.060 0.000 0.987 443 D CA 0.764 54.814 54.000 0.083 0.000 0.829 443 D CB -0.429 40.406 40.800 0.058 0.000 0.961 443 D HN 0.199 nan 8.370 nan 0.000 0.460 444 V N 1.482 121.424 119.914 0.048 0.000 2.287 444 V HA -0.224 3.899 4.120 0.006 0.000 0.248 444 V C 2.462 178.555 176.094 -0.001 0.000 1.053 444 V CA 1.022 63.333 62.300 0.020 0.000 1.027 444 V CB -0.263 31.570 31.823 0.017 0.000 0.646 444 V HN 0.186 nan 8.190 nan 0.000 0.447 445 I N -0.122 120.442 120.570 -0.009 0.000 2.226 445 I HA -0.173 4.000 4.170 0.006 0.000 0.245 445 I C 2.656 178.691 176.117 -0.138 0.000 1.100 445 I CA 1.601 62.822 61.300 -0.132 0.000 1.374 445 I CB -1.188 36.649 38.000 -0.271 0.000 1.057 445 I HN 0.316 nan 8.210 nan 0.000 0.413 446 R N 0.309 120.809 120.500 -0.000 0.000 2.081 446 R HA -0.108 4.236 4.340 0.006 0.000 0.235 446 R C 2.466 178.793 176.300 0.046 0.000 1.131 446 R CA 1.687 57.822 56.100 0.059 0.000 0.960 446 R CB -0.276 30.116 30.300 0.153 0.000 0.856 446 R HN 0.287 nan 8.270 nan 0.000 0.436 447 S N 0.729 116.455 115.700 0.044 0.000 2.383 447 S HA -0.172 4.302 4.470 0.006 0.000 0.229 447 S C 2.027 176.675 174.600 0.080 0.000 1.030 447 S CA 1.343 59.574 58.200 0.051 0.000 1.002 447 S CB -0.149 63.066 63.200 0.025 0.000 0.829 447 S HN 0.482 nan 8.310 nan 0.000 0.467 448 A N 0.799 123.650 122.820 0.051 0.000 1.897 448 A HA -0.083 4.241 4.320 0.006 0.000 0.215 448 A C 2.399 180.051 177.584 0.112 0.000 1.181 448 A CA 1.343 53.445 52.037 0.108 0.000 0.620 448 A CB -1.210 17.811 19.000 0.036 0.000 0.821 448 A HN 0.660 nan 8.150 nan 0.000 0.443 449 c N -0.209 118.387 118.600 -0.006 0.000 2.413 449 c HA -0.075 4.498 4.570 0.006 0.000 0.277 449 c C 2.547 176.651 174.090 0.023 0.000 1.265 449 c CA 1.111 57.419 56.329 -0.035 0.000 1.752 449 c CB -1.228 41.226 42.510 -0.094 0.000 1.998 449 c HN 0.584 nan 8.230 nan 0.000 0.489 450 K N -0.590 119.852 120.400 0.070 0.000 2.097 450 K HA -0.184 4.139 4.320 0.006 0.000 0.206 450 K C 1.852 178.526 176.600 0.124 0.000 1.049 450 K CA 1.757 58.096 56.287 0.087 0.000 0.933 450 K CB -0.191 32.367 32.500 0.097 0.000 0.717 450 K HN 0.744 nan 8.250 nan 0.000 0.442 451 W N 1.034 122.327 121.300 -0.013 0.000 2.481 451 W HA 0.063 4.726 4.660 0.006 0.000 0.293 451 W C 0.586 177.104 176.519 -0.002 0.000 1.201 451 W CA 0.575 57.916 57.345 -0.007 0.000 1.328 451 W CB 0.161 29.614 29.460 -0.012 0.000 1.112 451 W HN -0.246 nan 8.180 nan 0.000 0.546 452 S N 0.991 116.588 115.700 -0.172 0.000 2.438 452 S HA 0.291 4.765 4.470 0.006 0.000 0.316 452 S C -1.540 172.950 174.600 -0.183 0.000 1.084 452 S CA -1.569 56.404 58.200 -0.377 0.000 1.107 452 S CB 1.270 64.363 63.200 -0.178 0.000 0.981 452 S HN -0.134 nan 8.310 nan 0.000 0.466 453 P HA -0.043 nan 4.420 nan 0.000 0.217 453 P C 0.881 178.140 177.300 -0.068 0.000 1.150 453 P CA 0.983 64.091 63.100 0.014 0.000 0.832 453 P CB 0.201 32.002 31.700 0.168 0.000 0.787 454 E N -0.558 119.605 120.200 -0.062 0.000 2.051 454 E HA -0.158 4.196 4.350 0.006 0.000 0.192 454 E C 1.863 178.359 176.600 -0.173 0.000 0.991 454 E CA 0.810 57.090 56.400 -0.199 0.000 0.799 454 E CB -1.286 28.357 29.700 -0.095 0.000 0.748 454 E HN 0.084 nan 8.360 nan 0.000 0.449 455 L N 0.549 121.694 121.223 -0.131 0.000 2.046 455 L HA -0.069 4.275 4.340 0.006 0.000 0.208 455 L C 2.048 178.815 176.870 -0.172 0.000 1.077 455 L CA 2.092 56.858 54.840 -0.123 0.000 0.747 455 L CB -1.025 40.980 42.059 -0.090 0.000 0.896 455 L HN 0.124 nan 8.230 nan 0.000 0.432 456 A N -0.497 122.226 122.820 -0.162 0.000 1.908 456 A HA -0.154 4.169 4.320 0.006 0.000 0.218 456 A C 2.463 179.911 177.584 -0.227 0.000 1.181 456 A CA 1.990 53.940 52.037 -0.145 0.000 0.627 456 A CB -1.190 17.761 19.000 -0.082 0.000 0.818 456 A HN 0.571 nan 8.150 nan 0.000 0.445 457 A N -0.249 122.332 122.820 -0.398 0.000 1.940 457 A HA 0.133 4.457 4.320 0.006 0.000 0.219 457 A C 2.493 179.658 177.584 -0.698 0.000 1.176 457 A CA 2.190 53.844 52.037 -0.638 0.000 0.631 457 A CB -0.959 17.287 19.000 -1.256 0.000 0.814 457 A HN 1.053 nan 8.150 nan 0.000 0.446 458 A N -0.850 121.633 122.820 -0.562 0.000 1.873 458 A HA -0.146 4.178 4.320 0.006 0.000 0.215 458 A C 2.308 179.780 177.584 -0.186 0.000 1.186 458 A CA 1.589 53.378 52.037 -0.412 0.000 0.616 458 A CB -1.354 17.655 19.000 0.015 0.000 0.823 458 A HN 0.617 nan 8.150 nan 0.000 0.442 459 c N -0.630 117.891 118.600 -0.131 0.000 2.401 459 c HA -0.129 4.444 4.570 0.006 0.000 0.276 459 c C 2.664 176.934 174.090 0.299 0.000 1.233 459 c CA 1.267 57.644 56.329 0.081 0.000 1.753 459 c CB -1.192 41.258 42.510 -0.100 0.000 2.029 459 c HN 0.651 nan 8.230 nan 0.000 0.478 460 E N 0.519 120.716 120.200 -0.006 0.000 2.072 460 E HA -0.139 4.215 4.350 0.006 0.000 0.191 460 E C 2.221 178.718 176.600 -0.171 0.000 0.985 460 E CA 1.189 57.552 56.400 -0.061 0.000 0.801 460 E CB -0.037 29.587 29.700 -0.127 0.000 0.750 460 E HN 0.498 nan 8.360 nan 0.000 0.452 461 V N -0.004 119.669 119.914 -0.400 0.000 2.427 461 V HA -0.190 3.934 4.120 0.006 0.000 0.248 461 V C 1.465 177.249 176.094 -0.516 0.000 1.051 461 V CA 1.230 63.152 62.300 -0.629 0.000 1.048 461 V CB -0.296 30.824 31.823 -1.172 0.000 0.666 461 V HN 0.401 nan 8.190 nan 0.000 0.456 462 W N -0.522 120.709 121.300 -0.115 0.000 2.991 462 W HA 0.349 5.013 4.660 0.006 0.000 0.391 462 W C 1.811 178.174 176.519 -0.261 0.000 1.054 462 W CA -1.011 56.171 57.345 -0.272 0.000 1.856 462 W CB -0.287 28.814 29.460 -0.598 0.000 1.132 462 W HN 0.249 nan 8.180 nan 0.000 0.601 463 K N 1.308 121.706 120.400 -0.004 0.000 2.059 463 K HA -0.215 4.108 4.320 0.006 0.000 0.212 463 K C 1.283 177.657 176.600 -0.376 0.000 1.050 463 K CA 1.825 57.913 56.287 -0.332 0.000 0.927 463 K CB 0.240 32.614 32.500 -0.211 0.000 0.714 463 K HN -0.087 nan 8.250 nan 0.000 0.447 464 E N 0.296 120.377 120.200 -0.199 0.000 2.479 464 E HA 0.013 4.367 4.350 0.006 0.000 0.193 464 E C -0.030 176.495 176.600 -0.124 0.000 1.049 464 E CA 0.131 56.430 56.400 -0.168 0.000 0.870 464 E CB 0.364 29.989 29.700 -0.125 0.000 0.944 464 E HN 0.252 nan 8.360 nan 0.000 0.492 465 I N 2.204 122.726 120.570 -0.080 0.000 2.322 465 I HA 0.176 4.349 4.170 0.006 0.000 0.292 465 I C 0.356 176.464 176.117 -0.015 0.000 1.060 465 I CA 0.023 61.287 61.300 -0.060 0.000 1.309 465 I CB -0.019 37.996 38.000 0.025 0.000 1.415 465 I HN -0.262 nan 8.210 nan 0.000 0.492 466 K N 5.524 125.788 120.400 -0.226 0.000 2.443 466 K HA 0.634 4.957 4.320 0.006 0.000 0.251 466 K C -1.401 174.958 176.600 -0.402 0.000 0.972 466 K CA -0.591 55.618 56.287 -0.130 0.000 0.833 466 K CB 2.546 35.019 32.500 -0.046 0.000 1.317 466 K HN 0.148 nan 8.250 nan 0.000 0.441 467 F N 1.488 121.535 119.950 0.161 0.000 2.552 467 F HA 0.299 4.830 4.527 0.006 0.000 0.369 467 F C -0.538 175.339 175.800 0.128 0.000 1.112 467 F CA -0.535 57.581 58.000 0.193 0.000 1.129 467 F CB 1.493 40.639 39.000 0.243 0.000 1.360 467 F HN 0.290 nan 8.300 nan 0.000 0.473 468 E N 3.572 123.771 120.200 -0.002 0.000 2.235 468 E HA 0.558 4.912 4.350 0.006 0.000 0.252 468 E C -1.313 175.092 176.600 -0.325 0.000 0.886 468 E CA -0.460 55.902 56.400 -0.063 0.000 0.767 468 E CB 1.793 31.442 29.700 -0.086 0.000 1.205 468 E HN 0.310 nan 8.360 nan 0.000 0.421 469 F N 0.458 120.457 119.950 0.082 0.000 2.626 469 F HA 0.197 4.728 4.527 0.006 0.000 0.311 469 F C 0.058 175.890 175.800 0.053 0.000 1.088 469 F CA -1.177 56.863 58.000 0.066 0.000 0.949 469 F CB 1.498 40.544 39.000 0.076 0.000 1.322 469 F HN 0.244 nan 8.300 nan 0.000 0.461 470 D N 1.037 121.590 120.400 0.254 0.000 2.458 470 D HA 0.121 4.765 4.640 0.006 0.000 0.243 470 D C -0.415 175.971 176.300 0.143 0.000 1.146 470 D CA 0.514 54.606 54.000 0.154 0.000 0.877 470 D CB 0.771 41.645 40.800 0.122 0.000 1.176 470 D HN 0.417 nan 8.370 nan 0.000 0.461 471 T N 5.617 120.237 114.554 0.110 0.000 2.851 471 T HA 0.118 4.471 4.350 0.006 0.000 0.298 471 T C 1.397 176.145 174.700 0.081 0.000 0.977 471 T CA -0.750 61.408 62.100 0.096 0.000 1.126 471 T CB 0.834 69.755 68.868 0.089 0.000 0.916 471 T HN 0.290 nan 8.240 nan 0.000 0.529 472 I N 1.629 122.242 120.570 0.071 0.000 2.364 472 I HA 0.034 4.208 4.170 0.006 0.000 0.241 472 I C 1.427 177.593 176.117 0.081 0.000 1.082 472 I CA 0.814 62.153 61.300 0.063 0.000 1.401 472 I CB -0.738 37.287 38.000 0.042 0.000 1.126 472 I HN 0.583 nan 8.210 nan 0.000 0.429 473 D N 2.801 123.258 120.400 0.095 0.000 2.600 473 D HA 0.041 4.684 4.640 0.006 0.000 0.226 473 D C 0.120 176.513 176.300 0.154 0.000 1.119 473 D CA 0.204 54.288 54.000 0.139 0.000 1.051 473 D CB -0.294 40.598 40.800 0.153 0.000 1.106 473 D HN 0.058 nan 8.370 nan 0.000 0.491 474 K N 1.484 121.957 120.400 0.121 0.000 2.118 474 K HA 0.336 4.659 4.320 0.006 0.000 0.264 474 K C 0.585 177.249 176.600 0.106 0.000 1.000 474 K CA -0.794 55.555 56.287 0.102 0.000 0.929 474 K CB 1.295 33.839 32.500 0.074 0.000 1.021 474 K HN 0.273 nan 8.250 nan 0.000 0.463 475 L N 0.000 121.272 121.223 0.081 0.000 2.949 475 L HA 0.000 4.344 4.340 0.006 0.000 0.249 475 L CA 0.000 54.877 54.840 0.062 0.000 0.813 475 L CB 0.000 42.073 42.059 0.024 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502