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 2by0_1_A DATA FIRST_RESID 14 DATA SEQUENCE SFQTQHDPRT RLGATPLPGG AGTRFRLWTS TARTVAVRVN GTEHVXTSLG DATA SEQUENCE GGIYELELPV GPGARYLFVL DGVPTPDPYA RFLPDGVHGE AEVVDFGTFD DATA SEQUENCE WTDADWHGIK LADCVFYEVH VGTFTPEGTY RAAAEKLPYL KELGVTAIQV DATA SEQUENCE XPLAAFDGQR GWGYDGAAFY APYAPYGRPE DLXALVDAAH RLGLGVFLDV DATA SEQUENCE VYNHFGPSGN YLSSYAPSYF TDRFSSAWGX GLDYAEPHXR RYVTGNARXW DATA SEQUENCE LRDYHFDGLR LDATPYXTDD SETHILTELA QEIHELGGTH LLLAEDHRNL DATA SEQUENCE PDLVTVNHLD GIWTDDFHHE TRVTLTGEQE GYYAGYRGGA EALAYTIRRG DATA SEQUENCE WRYEGQFWAV KGEEHERGHP SDALEAPNFV YCIQNHDQIG NRPLGERLHQ DATA SEQUENCE SDGVTLHEYR GAAALLLTLP XTPLLFQGQE WAASTPFQFF SDHAGELGQA DATA SEQUENCE VSEGRKKEFX XXXXXXXXDV PDPQAEQTFL NSKLNWAERE GGEHARTLRL DATA SEQUENCE YRDLLRLRRE DPVLHNRQRE NLTTGHDGDV LWVRTVTGAG ERVLLWNLGQ DATA SEQUENCE DTRAVAEVKL PFTVPRRLLL HTEGREDLTL GAGEAVLVG 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.640 174.600 0.067 0.000 1.055 14 S CA 0.000 58.229 58.200 0.049 0.000 1.107 14 S CB 0.000 63.214 63.200 0.024 0.000 0.593 15 F N 4.018 123.974 119.950 0.010 0.000 2.608 15 F HA 0.462 4.989 4.527 0.001 0.000 0.380 15 F C 0.324 176.135 175.800 0.018 0.000 1.083 15 F CA 0.715 58.726 58.000 0.018 0.000 1.266 15 F CB 0.536 39.556 39.000 0.034 0.000 1.076 15 F HN 0.319 nan 8.300 nan 0.000 0.574 16 Q N 4.693 123.931 119.800 -0.937 0.000 2.331 16 Q HA 0.185 4.526 4.340 0.001 0.000 0.267 16 Q C -0.096 175.273 176.000 -1.051 0.000 1.006 16 Q CA -0.944 54.449 55.803 -0.683 0.000 0.818 16 Q CB 1.812 30.325 28.738 -0.374 0.000 1.276 16 Q HN 0.796 nan 8.270 nan 0.000 0.450 17 T N 1.192 115.469 114.554 -0.462 0.000 2.939 17 T HA -0.088 4.263 4.350 0.001 0.000 0.319 17 T C 0.917 175.509 174.700 -0.181 0.000 1.082 17 T CA 0.714 62.740 62.100 -0.122 0.000 1.133 17 T CB 0.539 69.504 68.868 0.162 0.000 1.019 17 T HN 0.594 nan 8.240 nan 0.000 0.548 18 Q N 1.591 121.316 119.800 -0.124 0.000 2.444 18 Q HA 0.050 4.390 4.340 0.001 0.000 0.206 18 Q C 0.068 175.878 176.000 -0.316 0.000 0.948 18 Q CA 0.394 56.050 55.803 -0.245 0.000 0.946 18 Q CB 0.203 28.776 28.738 -0.275 0.000 1.027 18 Q HN 0.644 nan 8.270 nan 0.000 0.513 19 H N 0.472 119.549 119.070 0.013 0.000 2.467 19 H HA 0.255 4.812 4.556 0.001 0.000 0.326 19 H C -0.889 174.445 175.328 0.011 0.000 1.094 19 H CA -0.222 55.842 56.048 0.027 0.000 1.253 19 H CB 1.373 31.172 29.762 0.061 0.000 1.439 19 H HN -0.007 nan 8.280 nan 0.000 0.479 20 D N 3.909 124.374 120.400 0.109 0.000 2.757 20 D HA 0.212 4.853 4.640 0.001 0.000 0.249 20 D C -2.092 174.247 176.300 0.066 0.000 1.168 20 D CA -2.337 51.700 54.000 0.061 0.000 0.870 20 D CB 2.494 43.303 40.800 0.015 0.000 1.411 20 D HN 0.109 nan 8.370 nan 0.000 0.525 21 P HA -0.039 nan 4.420 nan 0.000 0.219 21 P C 0.780 178.096 177.300 0.025 0.000 1.146 21 P CA 0.935 64.065 63.100 0.051 0.000 0.808 21 P CB 0.283 32.013 31.700 0.049 0.000 0.779 22 R N -1.094 119.415 120.500 0.016 0.000 2.307 22 R HA 0.066 4.407 4.340 0.001 0.000 0.199 22 R C 1.105 177.403 176.300 -0.003 0.000 1.000 22 R CA 1.360 57.460 56.100 0.001 0.000 1.023 22 R CB -0.583 29.716 30.300 -0.001 0.000 0.908 22 R HN 0.289 nan 8.270 nan 0.000 0.473 23 T N -2.907 111.649 114.554 0.003 0.000 3.200 23 T HA 0.183 4.534 4.350 0.001 0.000 0.284 23 T C 0.378 175.076 174.700 -0.003 0.000 1.009 23 T CA -0.623 61.475 62.100 -0.004 0.000 0.907 23 T CB 0.198 69.060 68.868 -0.010 0.000 1.120 23 T HN -0.007 nan 8.240 nan 0.000 0.534 24 R N 1.719 122.221 120.500 0.004 0.000 2.489 24 R HA 0.362 4.703 4.340 0.001 0.000 0.287 24 R C -0.237 176.013 176.300 -0.084 0.000 1.053 24 R CA -0.401 55.699 56.100 -0.000 0.000 1.036 24 R CB 0.231 30.544 30.300 0.022 0.000 0.966 24 R HN 0.393 nan 8.270 nan 0.000 0.432 25 L N 4.315 125.413 121.223 -0.210 0.000 2.439 25 L HA 0.311 4.652 4.340 0.001 0.000 0.269 25 L C 1.223 177.902 176.870 -0.318 0.000 1.179 25 L CA 0.862 55.450 54.840 -0.421 0.000 0.828 25 L CB 0.920 42.365 42.059 -1.023 0.000 1.106 25 L HN 1.098 nan 8.230 nan 0.000 0.467 26 G N 1.749 110.501 108.800 -0.080 0.000 2.418 26 G HA2 0.058 4.019 3.960 0.001 0.000 0.206 26 G HA3 0.058 4.019 3.960 0.001 0.000 0.206 26 G C -1.035 173.955 174.900 0.150 0.000 1.202 26 G CA -0.233 44.995 45.100 0.214 0.000 1.061 26 G HN 1.006 nan 8.290 nan 0.000 0.563 27 A N -0.336 122.494 122.820 0.016 0.000 2.311 27 A HA 0.833 5.154 4.320 0.001 0.000 0.306 27 A C -0.125 177.295 177.584 -0.273 0.000 1.189 27 A CA 0.644 52.456 52.037 -0.375 0.000 0.791 27 A CB 1.347 19.966 19.000 -0.635 0.000 1.172 27 A HN 1.522 nan 8.150 nan 0.000 0.481 28 T N 4.827 119.191 114.554 -0.317 0.000 2.840 28 T HA 0.534 4.885 4.350 0.001 0.000 0.287 28 T C -2.876 171.693 174.700 -0.218 0.000 0.991 28 T CA -1.085 60.903 62.100 -0.187 0.000 0.964 28 T CB 1.516 70.327 68.868 -0.095 0.000 0.954 28 T HN 0.384 nan 8.240 nan 0.000 0.438 29 P HA 0.151 nan 4.420 nan 0.000 0.266 29 P C -0.469 176.770 177.300 -0.102 0.000 1.195 29 P CA -0.195 62.817 63.100 -0.146 0.000 0.768 29 P CB 0.471 32.105 31.700 -0.109 0.000 0.838 30 L N 5.167 126.334 121.223 -0.095 0.000 2.399 30 L HA 0.426 4.767 4.340 0.001 0.000 0.266 30 L C -1.564 175.284 176.870 -0.038 0.000 1.114 30 L CA -2.010 52.793 54.840 -0.062 0.000 0.804 30 L CB 0.346 42.369 42.059 -0.060 0.000 1.146 30 L HN 0.308 nan 8.230 nan 0.000 0.451 31 P HA 0.097 nan 4.420 nan 0.000 0.272 31 P C 0.448 177.741 177.300 -0.012 0.000 1.240 31 P CA 0.044 63.137 63.100 -0.011 0.000 0.791 31 P CB 0.629 32.326 31.700 -0.004 0.000 0.978 32 G N -0.001 108.795 108.800 -0.006 0.000 2.179 32 G HA2 -0.106 3.855 3.960 0.001 0.000 0.257 32 G HA3 -0.106 3.855 3.960 0.001 0.000 0.257 32 G C 0.841 175.736 174.900 -0.008 0.000 1.010 32 G CA 0.575 45.672 45.100 -0.005 0.000 0.736 32 G HN 1.111 nan 8.290 nan 0.000 0.513 33 G N -1.391 107.401 108.800 -0.012 0.000 2.203 33 G HA2 0.061 4.022 3.960 0.001 0.000 0.263 33 G HA3 0.061 4.022 3.960 0.001 0.000 0.263 33 G C 1.359 176.250 174.900 -0.016 0.000 1.012 33 G CA 1.307 46.398 45.100 -0.015 0.000 0.749 33 G HN 2.156 nan 8.290 nan 0.000 0.512 34 A N -1.184 121.624 122.820 -0.020 0.000 2.167 34 A HA 0.570 4.891 4.320 0.001 0.000 0.214 34 A C 2.305 179.873 177.584 -0.027 0.000 1.151 34 A CA 2.038 54.063 52.037 -0.019 0.000 0.735 34 A CB -0.171 18.818 19.000 -0.018 0.000 0.802 34 A HN 2.585 nan 8.150 nan 0.000 0.467 35 G N -2.341 106.434 108.800 -0.041 0.000 2.348 35 G HA2 0.161 4.122 3.960 0.001 0.000 0.199 35 G HA3 0.161 4.122 3.960 0.001 0.000 0.199 35 G C -0.323 174.510 174.900 -0.112 0.000 1.235 35 G CA -0.130 44.937 45.100 -0.055 0.000 1.264 35 G HN 0.720 nan 8.290 nan 0.000 0.543 36 T N 0.485 114.939 114.554 -0.167 0.000 2.916 36 T HA 0.649 5.000 4.350 0.001 0.000 0.298 36 T C -0.395 174.052 174.700 -0.422 0.000 1.031 36 T CA -0.519 61.356 62.100 -0.375 0.000 0.993 36 T CB 2.140 70.639 68.868 -0.615 0.000 1.045 36 T HN 0.707 nan 8.240 nan 0.000 0.454 37 R N 2.298 122.551 120.500 -0.411 0.000 2.255 37 R HA 0.560 4.901 4.340 0.001 0.000 0.326 37 R C -1.400 174.656 176.300 -0.406 0.000 0.986 37 R CA -0.493 55.448 56.100 -0.264 0.000 0.847 37 R CB 0.380 30.602 30.300 -0.130 0.000 1.111 37 R HN 0.455 nan 8.270 nan 0.000 0.452 38 F N 3.530 123.471 119.950 -0.015 0.000 2.420 38 F HA 0.528 5.056 4.527 0.001 0.000 0.342 38 F C 0.427 176.276 175.800 0.082 0.000 1.113 38 F CA -0.489 57.548 58.000 0.063 0.000 1.059 38 F CB 1.626 40.714 39.000 0.146 0.000 1.128 38 F HN 0.320 nan 8.300 nan 0.000 0.475 39 R N 3.323 123.951 120.500 0.213 0.000 2.725 39 R HA 0.845 5.186 4.340 0.001 0.000 0.277 39 R C -1.723 174.532 176.300 -0.076 0.000 0.987 39 R CA -1.117 55.017 56.100 0.057 0.000 0.901 39 R CB 2.612 32.913 30.300 0.003 0.000 1.207 39 R HN 0.600 nan 8.270 nan 0.000 0.463 40 L N -1.688 119.470 121.223 -0.108 0.000 2.479 40 L HA 0.729 5.070 4.340 0.001 0.000 0.255 40 L C -1.639 175.288 176.870 0.095 0.000 1.026 40 L CA -0.837 53.916 54.840 -0.144 0.000 0.842 40 L CB 1.252 43.073 42.059 -0.397 0.000 1.444 40 L HN 0.685 nan 8.230 nan 0.000 0.409 41 W N 0.892 122.145 121.300 -0.079 0.000 2.532 41 W HA 0.795 5.456 4.660 0.001 0.000 0.321 41 W C -1.102 175.463 176.519 0.076 0.000 1.037 41 W CA -0.396 56.910 57.345 -0.066 0.000 1.220 41 W CB 1.841 31.067 29.460 -0.391 0.000 1.361 41 W HN 0.897 nan 8.180 nan 0.000 0.468 42 T N 3.494 117.790 114.554 -0.429 0.000 2.921 42 T HA 0.317 4.668 4.350 0.001 0.000 0.297 42 T C 0.612 174.949 174.700 -0.605 0.000 1.013 42 T CA 0.020 61.786 62.100 -0.557 0.000 0.990 42 T CB 1.231 69.954 68.868 -0.242 0.000 1.023 42 T HN 0.486 nan 8.240 nan 0.000 0.447 43 S N 2.069 117.346 115.700 -0.705 0.000 2.524 43 S HA 0.073 4.544 4.470 0.001 0.000 0.216 43 S C 1.506 176.007 174.600 -0.166 0.000 0.987 43 S CA 0.803 58.792 58.200 -0.351 0.000 0.909 43 S CB -0.157 62.850 63.200 -0.321 0.000 0.781 43 S HN 0.891 nan 8.310 nan 0.000 0.521 44 T N -1.940 112.503 114.554 -0.185 0.000 2.969 44 T HA 0.572 4.923 4.350 0.001 0.000 0.258 44 T C 0.637 175.269 174.700 -0.114 0.000 0.962 44 T CA 0.290 62.320 62.100 -0.118 0.000 0.903 44 T CB -0.179 68.620 68.868 -0.114 0.000 1.177 44 T HN 0.460 nan 8.240 nan 0.000 0.511 45 A N 1.756 124.480 122.820 -0.161 0.000 2.462 45 A HA 0.533 4.854 4.320 0.001 0.000 0.243 45 A C 1.305 178.815 177.584 -0.124 0.000 1.076 45 A CA -0.452 51.479 52.037 -0.176 0.000 0.773 45 A CB 0.325 19.159 19.000 -0.277 0.000 1.010 45 A HN 0.439 nan 8.150 nan 0.000 0.493 46 R N 0.110 120.550 120.500 -0.100 0.000 2.175 46 R HA 0.058 4.399 4.340 0.001 0.000 0.202 46 R C 0.194 176.458 176.300 -0.060 0.000 1.018 46 R CA 1.323 57.391 56.100 -0.052 0.000 1.029 46 R CB 0.118 30.396 30.300 -0.037 0.000 0.959 46 R HN 0.863 nan 8.270 nan 0.000 0.480 47 T N -1.587 112.904 114.554 -0.105 0.000 2.861 47 T HA 0.603 4.954 4.350 0.001 0.000 0.287 47 T C -0.531 174.057 174.700 -0.187 0.000 1.003 47 T CA -0.721 61.318 62.100 -0.102 0.000 0.977 47 T CB 2.437 71.267 68.868 -0.063 0.000 0.996 47 T HN -0.211 nan 8.240 nan 0.000 0.448 48 V N 1.645 121.435 119.914 -0.207 0.000 2.612 48 V HA 0.860 4.981 4.120 0.001 0.000 0.301 48 V C -0.107 175.928 176.094 -0.098 0.000 1.059 48 V CA -0.676 61.452 62.300 -0.287 0.000 0.886 48 V CB 1.144 32.499 31.823 -0.779 0.000 1.007 48 V HN 1.437 nan 8.190 nan 0.000 0.426 49 A N 3.623 126.433 122.820 -0.017 0.000 2.527 49 A HA 0.949 5.269 4.320 0.001 0.000 0.293 49 A C -1.386 176.302 177.584 0.173 0.000 1.117 49 A CA -0.741 51.335 52.037 0.066 0.000 0.723 49 A CB 2.307 21.326 19.000 0.030 0.000 1.313 49 A HN 1.069 nan 8.150 nan 0.000 0.411 50 V N 0.878 120.883 119.914 0.152 0.000 2.513 50 V HA 0.693 4.813 4.120 0.001 0.000 0.299 50 V C -0.165 175.923 176.094 -0.010 0.000 1.035 50 V CA -0.757 61.593 62.300 0.083 0.000 0.889 50 V CB 1.479 33.210 31.823 -0.154 0.000 0.988 50 V HN 0.890 nan 8.190 nan 0.000 0.440 51 R N 5.118 125.583 120.500 -0.059 0.000 2.246 51 R HA 0.670 5.011 4.340 0.001 0.000 0.332 51 R C -1.766 174.509 176.300 -0.042 0.000 0.974 51 R CA -0.380 55.700 56.100 -0.034 0.000 0.837 51 R CB 1.481 31.755 30.300 -0.044 0.000 1.145 51 R HN 0.617 nan 8.270 nan 0.000 0.467 52 V N 5.421 125.343 119.914 0.012 0.000 2.448 52 V HA 0.185 4.306 4.120 0.001 0.000 0.295 52 V C -0.039 176.096 176.094 0.068 0.000 1.025 52 V CA -0.985 61.332 62.300 0.027 0.000 0.859 52 V CB 1.596 33.399 31.823 -0.035 0.000 0.988 52 V HN 0.943 nan 8.190 nan 0.000 0.431 53 N N 4.000 122.739 118.700 0.065 0.000 2.710 53 N HA -0.236 4.505 4.740 0.001 0.000 0.249 53 N C 1.214 176.742 175.510 0.029 0.000 1.059 53 N CA 1.587 54.667 53.050 0.050 0.000 0.720 53 N CB -1.059 37.466 38.487 0.063 0.000 0.983 53 N HN 1.541 nan 8.380 nan 0.000 0.544 54 G N -2.838 105.968 108.800 0.011 0.000 2.199 54 G HA2 -0.305 3.656 3.960 0.001 0.000 0.254 54 G HA3 -0.305 3.656 3.960 0.001 0.000 0.254 54 G C 0.156 175.042 174.900 -0.023 0.000 0.982 54 G CA 0.648 45.742 45.100 -0.009 0.000 0.632 54 G HN 0.525 nan 8.290 nan 0.000 0.529 55 T N 1.627 116.173 114.554 -0.014 0.000 2.771 55 T HA 0.526 4.877 4.350 0.001 0.000 0.281 55 T C -0.175 174.442 174.700 -0.139 0.000 0.982 55 T CA -0.411 61.638 62.100 -0.085 0.000 0.978 55 T CB 1.795 70.621 68.868 -0.070 0.000 0.930 55 T HN 0.320 nan 8.240 nan 0.000 0.447 56 E N 2.836 122.916 120.200 -0.201 0.000 2.259 56 E HA 0.206 4.557 4.350 0.001 0.000 0.281 56 E C -0.386 176.029 176.600 -0.309 0.000 1.027 56 E CA -0.499 55.807 56.400 -0.158 0.000 0.838 56 E CB 0.691 30.335 29.700 -0.094 0.000 1.066 56 E HN 0.594 nan 8.360 nan 0.000 0.401 57 H N 1.626 120.677 119.070 -0.032 0.000 2.744 57 H HA 0.197 4.753 4.556 0.001 0.000 0.339 57 H C 0.068 175.400 175.328 0.006 0.000 1.004 57 H CA -0.604 55.436 56.048 -0.014 0.000 1.257 57 H CB 1.317 31.066 29.762 -0.022 0.000 1.552 57 H HN 0.233 nan 8.280 nan 0.000 0.522 61 S N 2.349 117.960 115.700 -0.148 0.000 2.499 61 S HA 0.450 4.921 4.470 0.001 0.000 0.275 61 S C 0.968 175.375 174.600 -0.322 0.000 1.257 61 S CA -0.672 57.185 58.200 -0.573 0.000 1.050 61 S CB 0.008 62.969 63.200 -0.398 0.000 0.937 61 S HN 0.600 nan 8.310 nan 0.000 0.490 62 L N 4.593 125.611 121.223 -0.341 0.000 2.638 62 L HA 0.416 4.756 4.340 0.001 0.000 0.232 62 L C 1.164 177.958 176.870 -0.127 0.000 1.099 62 L CA 0.201 54.941 54.840 -0.166 0.000 0.883 62 L CB -0.472 41.520 42.059 -0.111 0.000 1.136 62 L HN 0.936 nan 8.230 nan 0.000 0.492 63 G N -0.804 107.901 108.800 -0.159 0.000 2.629 63 G HA2 0.176 4.137 3.960 0.001 0.000 0.686 63 G HA3 0.176 4.137 3.960 0.001 0.000 0.686 63 G C 0.467 175.355 174.900 -0.019 0.000 1.232 63 G CA -0.488 44.569 45.100 -0.073 0.000 0.803 63 G HN 0.435 nan 8.290 nan 0.000 0.638 64 G N -0.772 108.052 108.800 0.040 0.000 2.179 64 G HA2 0.351 4.312 3.960 0.001 0.000 0.257 64 G HA3 0.351 4.312 3.960 0.001 0.000 0.257 64 G C 2.101 177.168 174.900 0.278 0.000 1.010 64 G CA 1.155 46.329 45.100 0.123 0.000 0.736 64 G HN 3.128 nan 8.290 nan 0.000 0.513 65 G N -1.648 107.277 108.800 0.207 0.000 2.162 65 G HA2 -0.229 3.732 3.960 0.001 0.000 0.260 65 G HA3 -0.229 3.732 3.960 0.001 0.000 0.260 65 G C 0.328 175.438 174.900 0.351 0.000 0.976 65 G CA 0.459 45.740 45.100 0.303 0.000 0.655 65 G HN 1.180 nan 8.290 nan 0.000 0.533 66 I N 0.430 121.088 120.570 0.147 0.000 2.395 66 I HA 0.506 4.677 4.170 0.001 0.000 0.289 66 I C 0.223 176.253 176.117 -0.145 0.000 1.023 66 I CA -0.976 60.390 61.300 0.110 0.000 1.350 66 I CB 0.434 38.464 38.000 0.050 0.000 1.409 66 I HN 0.084 nan 8.210 nan 0.000 0.507 67 Y N 3.780 124.096 120.300 0.026 0.000 2.462 67 Y HA 0.534 5.085 4.550 0.001 0.000 0.346 67 Y C 0.180 176.084 175.900 0.006 0.000 0.976 67 Y CA -0.696 57.407 58.100 0.005 0.000 1.044 67 Y CB 2.254 40.700 38.460 -0.023 0.000 1.230 67 Y HN 0.527 nan 8.280 nan 0.000 0.455 68 E N 2.353 122.646 120.200 0.155 0.000 2.366 68 E HA 0.683 5.033 4.350 0.001 0.000 0.278 68 E C -2.336 174.355 176.600 0.151 0.000 0.923 68 E CA -0.857 55.622 56.400 0.131 0.000 0.761 68 E CB 2.529 32.269 29.700 0.066 0.000 1.231 68 E HN 0.549 nan 8.360 nan 0.000 0.443 69 L N 2.142 123.480 121.223 0.192 0.000 2.505 69 L HA 0.433 4.774 4.340 0.001 0.000 0.259 69 L C -1.779 175.212 176.870 0.201 0.000 0.952 69 L CA -0.149 54.794 54.840 0.172 0.000 0.840 69 L CB 2.226 44.386 42.059 0.167 0.000 1.358 69 L HN 0.597 nan 8.230 nan 0.000 0.409 70 E N 4.638 124.906 120.200 0.113 0.000 2.171 70 E HA 0.713 5.064 4.350 0.001 0.000 0.271 70 E C -1.381 175.256 176.600 0.061 0.000 0.916 70 E CA -0.525 55.919 56.400 0.074 0.000 0.774 70 E CB 2.082 31.794 29.700 0.020 0.000 1.128 70 E HN 0.442 nan 8.360 nan 0.000 0.403 71 L N 3.274 124.543 121.223 0.076 0.000 2.371 71 L HA 0.389 4.730 4.340 0.001 0.000 0.262 71 L C -2.168 174.711 176.870 0.016 0.000 1.006 71 L CA -2.289 52.563 54.840 0.020 0.000 0.818 71 L CB 2.364 44.408 42.059 -0.024 0.000 1.354 71 L HN 0.342 nan 8.230 nan 0.000 0.415 72 P HA -0.020 nan 4.420 nan 0.000 0.263 72 P C -0.181 177.126 177.300 0.011 0.000 1.386 72 P CA 0.146 63.248 63.100 0.003 0.000 0.797 72 P CB -0.282 31.422 31.700 0.007 0.000 1.381 73 V N -2.906 117.025 119.914 0.029 0.000 2.732 73 V HA 0.761 4.882 4.120 0.001 0.000 0.297 73 V C 0.584 176.681 176.094 0.005 0.000 1.060 73 V CA -0.434 61.891 62.300 0.042 0.000 1.038 73 V CB 0.926 32.809 31.823 0.099 0.000 1.003 73 V HN 0.118 nan 8.190 nan 0.000 0.481 74 G N 2.927 111.730 108.800 0.005 0.000 2.887 74 G HA2 0.703 4.664 3.960 0.001 0.000 0.277 74 G HA3 0.703 4.664 3.960 0.001 0.000 0.277 74 G C -2.992 171.898 174.900 -0.017 0.000 1.346 74 G CA -1.923 43.164 45.100 -0.021 0.000 1.058 74 G HN 0.702 nan 8.290 nan 0.000 0.535 75 P HA 0.223 nan 4.420 nan 0.000 0.264 75 P C 0.869 178.173 177.300 0.007 0.000 1.183 75 P CA 1.687 64.768 63.100 -0.031 0.000 0.763 75 P CB 0.982 32.649 31.700 -0.055 0.000 0.807 76 G N 1.561 110.384 108.800 0.038 0.000 2.254 76 G HA2 -0.166 3.795 3.960 0.001 0.000 0.225 76 G HA3 -0.166 3.795 3.960 0.001 0.000 0.225 76 G C 0.462 175.418 174.900 0.093 0.000 1.003 76 G CA -0.030 45.108 45.100 0.063 0.000 0.622 76 G HN 0.840 nan 8.290 nan 0.000 0.507 77 A N 0.866 123.749 122.820 0.105 0.000 2.483 77 A HA 0.610 4.931 4.320 0.001 0.000 0.238 77 A C 0.644 178.358 177.584 0.216 0.000 1.070 77 A CA 0.474 52.598 52.037 0.145 0.000 0.770 77 A CB 0.259 19.356 19.000 0.162 0.000 1.008 77 A HN 0.406 nan 8.150 nan 0.000 0.497 78 R N 0.502 121.111 120.500 0.182 0.000 2.460 78 R HA 0.583 4.924 4.340 0.001 0.000 0.303 78 R C -1.160 175.249 176.300 0.181 0.000 0.968 78 R CA -0.224 55.965 56.100 0.149 0.000 0.889 78 R CB 1.075 31.404 30.300 0.049 0.000 1.123 78 R HN 0.853 nan 8.270 nan 0.000 0.455 79 Y N 0.018 120.289 120.300 -0.048 0.000 2.638 79 Y HA 0.717 5.268 4.550 0.001 0.000 0.335 79 Y C -1.476 174.285 175.900 -0.231 0.000 1.155 79 Y CA -1.466 56.539 58.100 -0.160 0.000 1.046 79 Y CB 1.059 39.389 38.460 -0.216 0.000 1.303 79 Y HN 0.353 nan 8.280 nan 0.000 0.460 80 L N -0.924 120.098 121.223 -0.335 0.000 2.510 80 L HA 0.792 5.133 4.340 0.001 0.000 0.252 80 L C -1.800 174.858 176.870 -0.353 0.000 1.091 80 L CA -1.478 53.107 54.840 -0.426 0.000 0.888 80 L CB 0.806 42.696 42.059 -0.281 0.000 1.507 80 L HN 0.597 nan 8.230 nan 0.000 0.407 81 F N -0.246 119.757 119.950 0.088 0.000 2.440 81 F HA 0.824 5.352 4.527 0.001 0.000 0.328 81 F C 0.018 175.799 175.800 -0.033 0.000 1.070 81 F CA -0.970 57.078 58.000 0.080 0.000 1.011 81 F CB 2.142 41.275 39.000 0.221 0.000 1.226 81 F HN 0.221 nan 8.300 nan 0.000 0.491 82 V N 3.839 123.849 119.914 0.160 0.000 2.409 82 V HA 0.393 4.514 4.120 0.001 0.000 0.290 82 V C -0.592 175.466 176.094 -0.060 0.000 1.017 82 V CA -0.682 61.623 62.300 0.008 0.000 0.841 82 V CB 1.435 33.254 31.823 -0.007 0.000 1.003 82 V HN 0.489 nan 8.190 nan 0.000 0.426 83 L N 4.239 125.384 121.223 -0.129 0.000 2.294 83 L HA 0.565 4.906 4.340 0.001 0.000 0.283 83 L C 0.029 176.808 176.870 -0.153 0.000 1.015 83 L CA -0.601 54.119 54.840 -0.201 0.000 0.831 83 L CB 1.297 43.165 42.059 -0.319 0.000 1.217 83 L HN 0.611 nan 8.230 nan 0.000 0.420 84 D N 3.408 123.727 120.400 -0.136 0.000 2.708 84 D HA -0.205 4.436 4.640 0.001 0.000 0.236 84 D C 1.194 177.446 176.300 -0.079 0.000 1.146 84 D CA 1.525 55.466 54.000 -0.099 0.000 0.662 84 D CB -0.755 39.987 40.800 -0.097 0.000 1.059 84 D HN 1.104 nan 8.370 nan 0.000 0.428 85 G N -2.282 106.473 108.800 -0.074 0.000 2.179 85 G HA2 -0.307 3.653 3.960 0.001 0.000 0.260 85 G HA3 -0.307 3.653 3.960 0.001 0.000 0.260 85 G C 0.332 175.196 174.900 -0.061 0.000 0.977 85 G CA 0.235 45.299 45.100 -0.059 0.000 0.641 85 G HN 0.636 nan 8.290 nan 0.000 0.533 86 V N 2.517 122.386 119.914 -0.075 0.000 2.350 86 V HA 0.452 4.573 4.120 0.001 0.000 0.276 86 V C -1.821 174.225 176.094 -0.081 0.000 1.028 86 V CA -1.774 60.482 62.300 -0.073 0.000 0.860 86 V CB 1.613 33.390 31.823 -0.076 0.000 0.990 86 V HN 0.109 nan 8.190 nan 0.000 0.453 87 P HA 0.230 nan 4.420 nan 0.000 0.267 87 P C -0.365 176.857 177.300 -0.130 0.000 1.209 87 P CA 0.273 63.322 63.100 -0.084 0.000 0.763 87 P CB 0.358 32.010 31.700 -0.080 0.000 0.816 88 T N 5.066 119.538 114.554 -0.137 0.000 2.937 88 T HA 0.396 4.747 4.350 0.001 0.000 0.297 88 T C -2.665 171.931 174.700 -0.173 0.000 0.991 88 T CA -1.624 60.337 62.100 -0.231 0.000 0.990 88 T CB 1.336 70.098 68.868 -0.176 0.000 0.991 88 T HN 0.108 nan 8.240 nan 0.000 0.440 89 P HA 0.082 nan 4.420 nan 0.000 0.267 89 P C -0.494 176.865 177.300 0.099 0.000 1.201 89 P CA -0.258 62.706 63.100 -0.227 0.000 0.775 89 P CB 0.454 31.965 31.700 -0.314 0.000 0.854 90 D N 2.430 122.882 120.400 0.087 0.000 2.325 90 D HA 0.123 4.764 4.640 0.001 0.000 0.251 90 D C -1.676 174.755 176.300 0.219 0.000 1.196 90 D CA -2.175 52.014 54.000 0.314 0.000 0.866 90 D CB 0.390 41.382 40.800 0.319 0.000 1.101 90 D HN 0.101 nan 8.370 nan 0.000 0.476 91 P HA -0.086 nan 4.420 nan 0.000 0.222 91 P C 0.218 177.525 177.300 0.010 0.000 1.147 91 P CA 0.992 64.106 63.100 0.024 0.000 0.790 91 P CB -0.004 31.534 31.700 -0.269 0.000 0.780 92 Y N -0.977 119.404 120.300 0.135 0.000 2.470 92 Y HA 0.382 4.932 4.550 0.001 0.000 0.284 92 Y C 1.241 177.156 175.900 0.025 0.000 1.188 92 Y CA -0.795 57.241 58.100 -0.107 0.000 1.269 92 Y CB -0.766 37.584 38.460 -0.184 0.000 1.094 92 Y HN -0.166 nan 8.280 nan 0.000 0.518 93 A N 0.882 123.855 122.820 0.255 0.000 2.567 93 A HA 0.026 4.346 4.320 0.001 0.000 0.240 93 A C 1.251 179.010 177.584 0.291 0.000 1.053 93 A CA -0.152 52.032 52.037 0.246 0.000 0.755 93 A CB 0.433 19.510 19.000 0.129 0.000 0.978 93 A HN 0.345 nan 8.150 nan 0.000 0.507 94 R N 0.458 121.146 120.500 0.313 0.000 2.246 94 R HA 0.228 4.569 4.340 0.001 0.000 0.199 94 R C -0.706 175.873 176.300 0.464 0.000 0.984 94 R CA 0.539 56.864 56.100 0.376 0.000 1.015 94 R CB -0.418 30.058 30.300 0.292 0.000 0.930 94 R HN 0.673 nan 8.270 nan 0.000 0.475 95 F N -0.767 119.284 119.950 0.168 0.000 2.688 95 F HA 0.353 4.881 4.527 0.002 0.000 0.308 95 F C -1.604 174.238 175.800 0.069 0.000 1.117 95 F CA -1.207 56.875 58.000 0.136 0.000 0.976 95 F CB 1.213 40.289 39.000 0.126 0.000 1.291 95 F HN -0.239 nan 8.300 nan 0.000 0.439 96 L N 7.410 128.249 121.223 -0.640 0.000 2.488 96 L HA 0.350 4.691 4.340 0.001 0.000 0.250 96 L C -1.892 174.548 176.870 -0.716 0.000 1.280 96 L CA -1.332 53.217 54.840 -0.484 0.000 0.929 96 L CB 1.512 43.414 42.059 -0.261 0.000 1.200 96 L HN 0.394 nan 8.230 nan 0.000 0.495 97 P HA -0.111 nan 4.420 nan 0.000 0.220 97 P C 0.297 177.427 177.300 -0.284 0.000 1.148 97 P CA 1.159 63.974 63.100 -0.475 0.000 0.803 97 P CB 0.334 31.964 31.700 -0.117 0.000 0.782 98 D N -0.908 119.355 120.400 -0.229 0.000 2.424 98 D HA 0.311 4.951 4.640 0.001 0.000 0.220 98 D C 1.218 177.428 176.300 -0.150 0.000 1.150 98 D CA 0.408 54.318 54.000 -0.151 0.000 0.831 98 D CB 0.479 41.220 40.800 -0.098 0.000 0.981 98 D HN 0.103 nan 8.370 nan 0.000 0.500 99 G N 0.698 109.367 108.800 -0.219 0.000 2.728 99 G HA2 -0.266 3.695 3.960 0.001 0.000 0.294 99 G HA3 -0.266 3.695 3.960 0.001 0.000 0.294 99 G C 0.931 175.729 174.900 -0.170 0.000 1.342 99 G CA -0.280 44.705 45.100 -0.191 0.000 0.866 99 G HN 0.349 nan 8.290 nan 0.000 0.534 100 V N -2.936 116.855 119.914 -0.205 0.000 3.217 100 V HA 0.127 4.248 4.120 0.001 0.000 0.264 100 V C 1.641 177.587 176.094 -0.246 0.000 1.135 100 V CA 2.210 64.383 62.300 -0.211 0.000 1.142 100 V CB -0.544 31.148 31.823 -0.217 0.000 0.754 100 V HN 0.772 nan 8.190 nan 0.000 0.484 101 H N 0.649 119.769 119.070 0.083 0.000 2.549 101 H HA 0.502 5.059 4.556 0.001 0.000 0.279 101 H C 1.136 176.430 175.328 -0.056 0.000 1.018 101 H CA 0.523 56.614 56.048 0.071 0.000 1.175 101 H CB 0.581 30.404 29.762 0.101 0.000 1.485 101 H HN 0.594 nan 8.280 nan 0.000 0.543 102 G N 0.343 109.124 108.800 -0.030 0.000 2.613 102 G HA2 0.279 4.240 3.960 0.001 0.000 0.303 102 G HA3 0.279 4.240 3.960 0.001 0.000 0.303 102 G C -0.265 174.541 174.900 -0.157 0.000 1.312 102 G CA -0.647 44.402 45.100 -0.084 0.000 1.036 102 G HN 0.116 nan 8.290 nan 0.000 0.513 103 E N -0.432 119.668 120.200 -0.166 0.000 2.398 103 E HA 0.398 4.749 4.350 0.001 0.000 0.263 103 E C 0.472 176.904 176.600 -0.280 0.000 1.046 103 E CA -0.153 56.103 56.400 -0.241 0.000 0.908 103 E CB 1.106 30.702 29.700 -0.173 0.000 0.963 103 E HN 0.538 nan 8.360 nan 0.000 0.431 104 A N 2.783 125.314 122.820 -0.482 0.000 2.287 104 A HA 0.193 4.514 4.320 0.001 0.000 0.273 104 A C -0.025 177.453 177.584 -0.177 0.000 1.091 104 A CA -0.313 51.482 52.037 -0.403 0.000 0.817 104 A CB 0.671 19.275 19.000 -0.660 0.000 1.069 104 A HN 0.715 nan 8.150 nan 0.000 0.492 105 E N 0.441 120.691 120.200 0.083 0.000 2.195 105 E HA 0.508 4.858 4.350 0.001 0.000 0.271 105 E C -1.283 175.508 176.600 0.319 0.000 0.923 105 E CA -0.683 55.853 56.400 0.226 0.000 0.790 105 E CB 1.518 31.379 29.700 0.268 0.000 1.155 105 E HN 0.393 nan 8.360 nan 0.000 0.402 106 V N 4.173 124.260 119.914 0.288 0.000 2.555 106 V HA 0.148 4.269 4.120 0.001 0.000 0.286 106 V C -0.074 176.031 176.094 0.017 0.000 1.044 106 V CA -0.214 62.169 62.300 0.138 0.000 1.026 106 V CB 1.081 32.918 31.823 0.022 0.000 0.981 106 V HN 0.447 nan 8.190 nan 0.000 0.480 107 V N 3.826 123.682 119.914 -0.096 0.000 2.680 107 V HA 0.465 4.586 4.120 0.001 0.000 0.309 107 V C -0.563 175.269 176.094 -0.437 0.000 1.052 107 V CA -0.668 61.476 62.300 -0.260 0.000 0.908 107 V CB 2.177 33.792 31.823 -0.348 0.000 1.001 107 V HN 0.901 nan 8.190 nan 0.000 0.431 108 D N 2.354 122.530 120.400 -0.374 0.000 2.440 108 D HA 0.380 5.021 4.640 0.001 0.000 0.239 108 D C 0.242 176.372 176.300 -0.282 0.000 1.084 108 D CA -0.475 53.347 54.000 -0.297 0.000 0.843 108 D CB 1.236 41.957 40.800 -0.131 0.000 1.097 108 D HN 0.283 nan 8.370 nan 0.000 0.531 109 F N 1.705 121.649 119.950 -0.009 0.000 2.604 109 F HA 0.169 4.697 4.527 0.001 0.000 0.298 109 F C 2.423 178.260 175.800 0.060 0.000 1.131 109 F CA 0.439 58.430 58.000 -0.015 0.000 1.457 109 F CB -0.078 38.908 39.000 -0.024 0.000 1.095 109 F HN 0.531 nan 8.300 nan 0.000 0.574 110 G N -1.193 107.713 108.800 0.178 0.000 2.712 110 G HA2 -0.094 3.867 3.960 0.001 0.000 0.212 110 G HA3 -0.094 3.867 3.960 0.001 0.000 0.212 110 G C 1.648 176.620 174.900 0.120 0.000 1.142 110 G CA 0.885 46.081 45.100 0.160 0.000 0.789 110 G HN 0.269 nan 8.290 nan 0.000 0.535 111 T N 0.637 115.238 114.554 0.078 0.000 2.770 111 T HA 0.025 4.375 4.350 0.001 0.000 0.263 111 T C 0.816 175.533 174.700 0.028 0.000 1.039 111 T CA 0.015 62.135 62.100 0.034 0.000 1.142 111 T CB -0.179 68.690 68.868 0.001 0.000 0.868 111 T HN 0.154 nan 8.240 nan 0.000 0.435 112 F N 3.178 123.038 119.950 -0.150 0.000 2.607 112 F HA 0.087 4.615 4.527 0.002 0.000 0.374 112 F C -0.068 175.528 175.800 -0.340 0.000 1.104 112 F CA -0.667 57.132 58.000 -0.335 0.000 1.296 112 F CB 0.384 39.026 39.000 -0.596 0.000 1.085 112 F HN -0.007 nan 8.300 nan 0.000 0.584 113 D N 6.831 126.690 120.400 -0.901 0.000 2.494 113 D HA 0.045 4.686 4.640 0.001 0.000 0.217 113 D C -0.699 175.249 176.300 -0.586 0.000 1.153 113 D CA 0.063 53.743 54.000 -0.533 0.000 0.954 113 D CB -0.123 40.423 40.800 -0.424 0.000 1.034 113 D HN 0.415 nan 8.370 nan 0.000 0.518 114 W N 0.791 122.054 121.300 -0.062 0.000 2.193 114 W HA 0.054 4.715 4.660 0.001 0.000 0.338 114 W C 1.772 178.319 176.519 0.048 0.000 1.310 114 W CA -0.159 57.246 57.345 0.102 0.000 1.243 114 W CB 0.646 30.218 29.460 0.188 0.000 1.165 114 W HN 0.214 nan 8.180 nan 0.000 0.566 115 T N -2.319 112.432 114.554 0.327 0.000 3.182 115 T HA -0.006 4.345 4.350 0.001 0.000 0.277 115 T C 0.252 175.091 174.700 0.232 0.000 1.013 115 T CA -0.226 61.995 62.100 0.203 0.000 0.900 115 T CB -0.226 68.700 68.868 0.097 0.000 1.098 115 T HN 0.429 nan 8.240 nan 0.000 0.543 116 D N 0.805 121.408 120.400 0.338 0.000 2.587 116 D HA 0.400 5.041 4.640 0.001 0.000 0.233 116 D C 1.486 177.895 176.300 0.181 0.000 1.213 116 D CA -0.266 53.907 54.000 0.288 0.000 0.827 116 D CB 0.147 41.204 40.800 0.428 0.000 1.006 116 D HN 0.356 nan 8.370 nan 0.000 0.490 117 A N 0.639 123.543 122.820 0.140 0.000 2.024 117 A HA -0.176 4.144 4.320 0.001 0.000 0.220 117 A C 1.457 179.005 177.584 -0.060 0.000 1.164 117 A CA 1.149 53.220 52.037 0.057 0.000 0.643 117 A CB -0.166 18.885 19.000 0.086 0.000 0.806 117 A HN 0.121 nan 8.150 nan 0.000 0.451 118 D N -1.902 118.475 120.400 -0.038 0.000 2.328 118 D HA 0.027 4.668 4.640 0.001 0.000 0.221 118 D C 0.076 176.188 176.300 -0.313 0.000 1.072 118 D CA -0.122 53.810 54.000 -0.114 0.000 0.850 118 D CB -0.095 40.731 40.800 0.043 0.000 0.922 118 D HN 0.705 nan 8.370 nan 0.000 0.516 119 W N 0.879 121.860 121.300 -0.531 0.000 2.417 119 W HA 0.185 4.845 4.660 0.001 0.000 0.317 119 W C -0.632 175.417 176.519 -0.783 0.000 1.121 119 W CA -0.239 56.783 57.345 -0.537 0.000 1.208 119 W CB 0.593 29.792 29.460 -0.434 0.000 1.253 119 W HN -0.003 nan 8.180 nan 0.000 0.533 120 H N 3.640 122.087 119.070 -1.039 0.000 2.549 120 H HA 0.333 4.890 4.556 0.001 0.000 0.253 120 H C 0.880 175.618 175.328 -0.983 0.000 1.170 120 H CA 0.362 55.934 56.048 -0.794 0.000 0.943 120 H CB 0.418 29.899 29.762 -0.469 0.000 1.849 120 H HN 0.729 nan 8.280 nan 0.000 0.603 121 G N 0.842 108.697 108.800 -1.575 0.000 2.725 121 G HA2 -0.247 3.713 3.960 0.001 0.000 0.220 121 G HA3 -0.247 3.713 3.960 0.001 0.000 0.220 121 G C -0.811 173.677 174.900 -0.687 0.000 1.357 121 G CA -0.287 44.348 45.100 -0.775 0.000 0.866 121 G HN 0.384 nan 8.290 nan 0.000 0.548 122 I N -0.566 119.929 120.570 -0.126 0.000 2.656 122 I HA 0.569 4.740 4.170 0.001 0.000 0.292 122 I C 0.058 176.215 176.117 0.066 0.000 1.144 122 I CA -1.128 60.173 61.300 0.003 0.000 1.038 122 I CB 1.578 39.744 38.000 0.277 0.000 1.244 122 I HN 0.670 nan 8.210 nan 0.000 0.420 123 K N 5.158 125.559 120.400 0.003 0.000 2.237 123 K HA 0.159 4.480 4.320 0.001 0.000 0.270 123 K C 0.603 177.228 176.600 0.043 0.000 1.015 123 K CA -0.519 55.779 56.287 0.020 0.000 0.949 123 K CB 1.217 33.699 32.500 -0.030 0.000 0.976 123 K HN 0.483 nan 8.250 nan 0.000 0.472 124 L N 3.204 124.471 121.223 0.074 0.000 2.042 124 L HA -0.203 4.138 4.340 0.001 0.000 0.210 124 L C 1.977 178.824 176.870 -0.039 0.000 1.076 124 L CA 2.040 56.913 54.840 0.055 0.000 0.749 124 L CB -0.726 41.397 42.059 0.107 0.000 0.893 124 L HN 0.871 nan 8.230 nan 0.000 0.432 125 A N -1.491 121.307 122.820 -0.038 0.000 2.125 125 A HA -0.159 4.162 4.320 0.001 0.000 0.219 125 A C 1.612 179.140 177.584 -0.093 0.000 1.156 125 A CA 1.703 53.701 52.037 -0.065 0.000 0.671 125 A CB -0.548 18.418 19.000 -0.056 0.000 0.794 125 A HN 0.558 nan 8.150 nan 0.000 0.459 126 D N -1.336 119.007 120.400 -0.095 0.000 2.369 126 D HA 0.149 4.790 4.640 0.001 0.000 0.211 126 D C -0.273 175.939 176.300 -0.147 0.000 1.077 126 D CA 0.021 53.959 54.000 -0.103 0.000 0.842 126 D CB -0.092 40.664 40.800 -0.073 0.000 0.947 126 D HN 0.284 nan 8.370 nan 0.000 0.509 127 C N 1.205 120.354 119.300 -0.251 0.000 2.514 127 C HA 0.420 4.881 4.460 0.001 0.000 0.392 127 C C 0.575 175.275 174.990 -0.483 0.000 1.294 127 C CA -0.587 58.120 59.018 -0.518 0.000 1.957 127 C CB 0.798 27.914 27.740 -1.039 0.000 2.541 127 C HN -0.035 nan 8.230 nan 0.000 0.569 128 V N 5.042 124.713 119.914 -0.404 0.000 2.349 128 V HA 0.340 4.461 4.120 0.001 0.000 0.284 128 V C -0.391 175.578 176.094 -0.209 0.000 1.014 128 V CA -0.291 61.863 62.300 -0.243 0.000 0.826 128 V CB 0.486 32.263 31.823 -0.077 0.000 1.009 128 V HN 0.662 nan 8.190 nan 0.000 0.431 129 F N 3.816 123.748 119.950 -0.031 0.000 2.389 129 F HA 0.450 4.978 4.527 0.002 0.000 0.337 129 F C -0.143 175.709 175.800 0.087 0.000 1.112 129 F CA -0.352 57.639 58.000 -0.016 0.000 1.192 129 F CB 0.650 39.596 39.000 -0.090 0.000 1.185 129 F HN 0.479 nan 8.300 nan 0.000 0.552 130 Y N 2.222 122.643 120.300 0.203 0.000 2.349 130 Y HA 0.257 4.808 4.550 0.002 0.000 0.324 130 Y C -0.434 175.486 175.900 0.033 0.000 1.005 130 Y CA -0.860 57.294 58.100 0.089 0.000 1.240 130 Y CB 0.846 39.349 38.460 0.071 0.000 1.117 130 Y HN 0.653 nan 8.280 nan 0.000 0.463 131 E N 5.837 125.921 120.200 -0.193 0.000 2.180 131 E HA 0.455 4.806 4.350 0.001 0.000 0.283 131 E C -1.106 175.251 176.600 -0.405 0.000 1.061 131 E CA -0.565 55.757 56.400 -0.130 0.000 0.861 131 E CB 0.724 30.474 29.700 0.083 0.000 1.056 131 E HN 0.512 nan 8.360 nan 0.000 0.407 132 V N 2.306 122.074 119.914 -0.244 0.000 2.715 132 V HA 0.405 4.526 4.120 0.001 0.000 0.310 132 V C -0.465 175.528 176.094 -0.169 0.000 1.054 132 V CA -0.892 61.190 62.300 -0.363 0.000 0.928 132 V CB 1.697 33.178 31.823 -0.570 0.000 1.007 132 V HN 0.729 nan 8.190 nan 0.000 0.437 133 H N 2.935 121.904 119.070 -0.168 0.000 2.638 133 H HA 0.427 4.983 4.556 0.001 0.000 0.303 133 H C 0.351 175.752 175.328 0.121 0.000 1.034 133 H CA -0.271 55.814 56.048 0.062 0.000 1.225 133 H CB 2.113 32.043 29.762 0.279 0.000 1.394 133 H HN 0.610 nan 8.280 nan 0.000 0.477 134 V N 4.538 124.150 119.914 -0.504 0.000 2.380 134 V HA -0.249 3.872 4.120 0.001 0.000 0.251 134 V C 2.551 178.459 176.094 -0.310 0.000 1.063 134 V CA 2.310 64.311 62.300 -0.498 0.000 1.055 134 V CB -0.663 30.564 31.823 -0.993 0.000 0.657 134 V HN 0.918 nan 8.190 nan 0.000 0.455 135 G N -0.150 108.466 108.800 -0.307 0.000 2.432 135 G HA2 -0.220 3.741 3.960 0.001 0.000 0.219 135 G HA3 -0.220 3.741 3.960 0.001 0.000 0.219 135 G C 1.605 176.863 174.900 0.598 0.000 1.135 135 G CA 1.570 46.960 45.100 0.483 0.000 0.767 135 G HN 0.609 nan 8.290 nan 0.000 0.550 136 T N -2.919 112.069 114.554 0.723 0.000 3.022 136 T HA 0.167 4.518 4.350 0.001 0.000 0.250 136 T C 1.862 176.819 174.700 0.429 0.000 1.060 136 T CA -0.041 62.345 62.100 0.477 0.000 1.013 136 T CB -0.136 69.092 68.868 0.600 0.000 0.982 136 T HN 0.049 nan 8.240 nan 0.000 0.508 137 F N 4.410 124.531 119.950 0.284 0.000 2.216 137 F HA 0.117 4.645 4.527 0.001 0.000 0.300 137 F C 0.888 176.983 175.800 0.492 0.000 1.085 137 F CA 1.025 59.213 58.000 0.313 0.000 1.326 137 F CB -0.404 38.744 39.000 0.246 0.000 1.027 137 F HN 0.338 nan 8.300 nan 0.000 0.497 138 T N -4.373 110.373 114.554 0.320 0.000 2.883 138 T HA 0.391 4.742 4.350 0.001 0.000 0.296 138 T C -2.049 172.738 174.700 0.145 0.000 1.117 138 T CA -1.794 60.412 62.100 0.178 0.000 1.006 138 T CB 1.549 70.421 68.868 0.007 0.000 1.191 138 T HN -0.360 nan 8.240 nan 0.000 0.508 139 P HA -0.071 nan 4.420 nan 0.000 0.215 139 P C 1.110 178.449 177.300 0.065 0.000 1.157 139 P CA 1.272 64.406 63.100 0.057 0.000 0.874 139 P CB 0.056 31.775 31.700 0.031 0.000 0.790 140 E N -1.187 119.047 120.200 0.056 0.000 2.150 140 E HA 0.057 4.408 4.350 0.001 0.000 0.193 140 E C 1.415 178.090 176.600 0.126 0.000 0.985 140 E CA 1.106 57.551 56.400 0.074 0.000 0.814 140 E CB -0.948 28.779 29.700 0.044 0.000 0.752 140 E HN 0.216 nan 8.360 nan 0.000 0.466 141 G N 1.170 110.055 108.800 0.142 0.000 2.221 141 G HA2 -0.282 3.679 3.960 0.001 0.000 0.265 141 G HA3 -0.282 3.679 3.960 0.001 0.000 0.265 141 G C 0.226 175.183 174.900 0.097 0.000 1.041 141 G CA 0.629 45.844 45.100 0.192 0.000 0.807 141 G HN 0.422 nan 8.290 nan 0.000 0.502 142 T N -3.938 110.633 114.554 0.028 0.000 2.916 142 T HA 0.652 5.002 4.350 0.001 0.000 0.292 142 T C 0.987 175.652 174.700 -0.058 0.000 1.064 142 T CA -0.321 61.734 62.100 -0.076 0.000 1.011 142 T CB 1.379 70.250 68.868 0.005 0.000 1.152 142 T HN 0.156 nan 8.240 nan 0.000 0.510 143 Y N 0.120 120.472 120.300 0.086 0.000 2.181 143 Y HA -0.100 4.451 4.550 0.001 0.000 0.288 143 Y C 3.004 178.941 175.900 0.061 0.000 1.146 143 Y CA 0.424 58.563 58.100 0.065 0.000 1.164 143 Y CB -0.223 38.281 38.460 0.073 0.000 0.982 143 Y HN 0.359 nan 8.280 nan 0.000 0.515 144 R N 0.438 121.059 120.500 0.202 0.000 2.081 144 R HA -0.122 4.219 4.340 0.001 0.000 0.235 144 R C 2.450 178.795 176.300 0.075 0.000 1.131 144 R CA 1.212 57.384 56.100 0.120 0.000 0.960 144 R CB -1.120 29.232 30.300 0.086 0.000 0.856 144 R HN 0.408 nan 8.270 nan 0.000 0.436 145 A N 0.966 123.823 122.820 0.062 0.000 1.930 145 A HA -0.018 4.303 4.320 0.001 0.000 0.217 145 A C 2.369 179.974 177.584 0.036 0.000 1.175 145 A CA 1.624 53.669 52.037 0.013 0.000 0.627 145 A CB -0.493 18.508 19.000 0.001 0.000 0.815 145 A HN 0.332 nan 8.150 nan 0.000 0.443 146 A N 0.037 122.960 122.820 0.173 0.000 1.902 146 A HA 0.135 4.456 4.320 0.001 0.000 0.217 146 A C 2.476 180.204 177.584 0.239 0.000 1.181 146 A CA 2.032 54.283 52.037 0.356 0.000 0.623 146 A CB -0.995 18.245 19.000 0.400 0.000 0.818 146 A HN 1.085 nan 8.150 nan 0.000 0.443 147 A N -0.391 122.513 122.820 0.139 0.000 1.978 147 A HA -0.151 4.170 4.320 0.001 0.000 0.220 147 A C 1.799 179.407 177.584 0.040 0.000 1.170 147 A CA 1.687 53.772 52.037 0.081 0.000 0.636 147 A CB -0.388 18.646 19.000 0.057 0.000 0.810 147 A HN 0.451 nan 8.150 nan 0.000 0.448 148 E N 0.154 120.354 120.200 -0.001 0.000 2.338 148 E HA -0.100 4.251 4.350 0.001 0.000 0.197 148 E C 1.123 177.662 176.600 -0.101 0.000 1.007 148 E CA 0.698 57.059 56.400 -0.063 0.000 0.849 148 E CB -0.089 29.544 29.700 -0.111 0.000 0.774 148 E HN 0.488 nan 8.360 nan 0.000 0.506 149 K N 0.300 120.653 120.400 -0.077 0.000 2.404 149 K HA 0.155 4.476 4.320 0.001 0.000 0.194 149 K C 2.047 178.735 176.600 0.146 0.000 1.023 149 K CA -0.084 56.163 56.287 -0.066 0.000 1.094 149 K CB 0.168 32.565 32.500 -0.171 0.000 0.841 149 K HN 0.171 nan 8.250 nan 0.000 0.523 150 L N 1.192 122.478 121.223 0.106 0.000 2.012 150 L HA -0.160 4.181 4.340 0.001 0.000 0.210 150 L C -0.673 176.232 176.870 0.058 0.000 1.073 150 L CA 1.603 56.492 54.840 0.081 0.000 0.748 150 L CB -1.564 40.517 42.059 0.036 0.000 0.891 150 L HN 0.061 nan 8.230 nan 0.000 0.431 151 P HA -0.237 nan 4.420 nan 0.000 0.216 151 P C 1.397 178.734 177.300 0.062 0.000 1.150 151 P CA 1.348 64.472 63.100 0.039 0.000 0.837 151 P CB -0.100 31.619 31.700 0.031 0.000 0.786 152 Y N 0.487 120.783 120.300 -0.007 0.000 2.145 152 Y HA -0.191 4.360 4.550 0.001 0.000 0.286 152 Y C 2.002 177.925 175.900 0.038 0.000 1.145 152 Y CA 1.540 59.657 58.100 0.029 0.000 1.148 152 Y CB -1.094 37.393 38.460 0.046 0.000 0.981 152 Y HN -0.206 nan 8.280 nan 0.000 0.507 153 L N 0.126 121.306 121.223 -0.070 0.000 2.056 153 L HA -0.176 4.164 4.340 0.001 0.000 0.207 153 L C 2.522 179.272 176.870 -0.200 0.000 1.078 153 L CA 1.678 56.370 54.840 -0.248 0.000 0.749 153 L CB -0.597 41.379 42.059 -0.138 0.000 0.901 153 L HN 0.133 nan 8.230 nan 0.000 0.433 154 K N 0.527 120.868 120.400 -0.097 0.000 2.032 154 K HA -0.244 4.077 4.320 0.001 0.000 0.209 154 K C 2.136 178.691 176.600 -0.075 0.000 1.048 154 K CA 1.560 57.811 56.287 -0.060 0.000 0.927 154 K CB -0.238 32.249 32.500 -0.022 0.000 0.712 154 K HN 0.087 nan 8.250 nan 0.000 0.441 155 E N 0.315 120.458 120.200 -0.094 0.000 2.150 155 E HA -0.156 4.195 4.350 0.001 0.000 0.193 155 E C 1.922 178.451 176.600 -0.118 0.000 0.985 155 E CA 0.914 57.267 56.400 -0.080 0.000 0.814 155 E CB -0.205 29.465 29.700 -0.049 0.000 0.752 155 E HN 0.304 nan 8.360 nan 0.000 0.466 156 L N -0.002 121.073 121.223 -0.247 0.000 2.042 156 L HA -0.086 4.255 4.340 0.001 0.000 0.210 156 L C 1.594 178.423 176.870 -0.069 0.000 1.076 156 L CA 2.663 57.374 54.840 -0.215 0.000 0.749 156 L CB -0.378 41.434 42.059 -0.412 0.000 0.893 156 L HN 0.324 nan 8.230 nan 0.000 0.432 157 G N -1.825 106.934 108.800 -0.067 0.000 2.183 157 G HA2 -0.148 3.813 3.960 0.001 0.000 0.168 157 G HA3 -0.148 3.813 3.960 0.001 0.000 0.168 157 G C 0.264 175.163 174.900 -0.001 0.000 1.008 157 G CA 0.129 45.219 45.100 -0.017 0.000 0.677 157 G HN 0.821 nan 8.290 nan 0.000 0.498 158 V N -0.729 119.179 119.914 -0.010 0.000 3.185 158 V HA 0.828 4.948 4.120 0.001 0.000 0.305 158 V C 1.202 177.297 176.094 0.002 0.000 1.090 158 V CA 1.269 63.582 62.300 0.021 0.000 1.107 158 V CB 1.392 33.263 31.823 0.081 0.000 1.061 158 V HN 1.010 nan 8.190 nan 0.000 0.480 159 T N -1.927 112.626 114.554 -0.002 0.000 3.016 159 T HA 0.673 5.024 4.350 0.001 0.000 0.271 159 T C 0.277 175.013 174.700 0.061 0.000 0.968 159 T CA 0.436 62.548 62.100 0.020 0.000 0.891 159 T CB 0.222 69.090 68.868 0.000 0.000 1.149 159 T HN 1.811 nan 8.240 nan 0.000 0.524 160 A N 1.599 124.444 122.820 0.041 0.000 2.459 160 A HA 0.675 4.996 4.320 0.001 0.000 0.296 160 A C -1.194 176.559 177.584 0.281 0.000 1.039 160 A CA -0.795 51.341 52.037 0.164 0.000 0.698 160 A CB 1.022 19.970 19.000 -0.087 0.000 1.261 160 A HN 0.276 nan 8.150 nan 0.000 0.405 161 I N 2.324 123.098 120.570 0.339 0.000 2.304 161 I HA 0.305 4.475 4.170 0.001 0.000 0.291 161 I C 0.237 176.573 176.117 0.365 0.000 1.018 161 I CA -0.202 61.276 61.300 0.297 0.000 1.260 161 I CB 0.994 39.099 38.000 0.175 0.000 1.390 161 I HN 0.791 nan 8.210 nan 0.000 0.475 162 Q N 6.994 126.971 119.800 0.295 0.000 2.430 162 Q HA 0.436 4.776 4.340 0.001 0.000 0.245 162 Q C -0.987 175.086 176.000 0.122 0.000 1.021 162 Q CA -0.243 55.692 55.803 0.219 0.000 0.867 162 Q CB 0.995 29.803 28.738 0.117 0.000 1.210 162 Q HN 0.494 nan 8.270 nan 0.000 0.487 166 L N -0.161 120.997 121.223 -0.109 0.000 2.731 166 L HA 0.469 4.810 4.340 0.001 0.000 0.240 166 L C 0.919 177.955 176.870 0.277 0.000 1.120 166 L CA -0.171 54.773 54.840 0.174 0.000 0.913 166 L CB 0.254 42.361 42.059 0.081 0.000 1.213 166 L HN 0.559 nan 8.230 nan 0.000 0.515 167 A N 1.340 124.292 122.820 0.221 0.000 2.511 167 A HA 0.472 4.793 4.320 0.001 0.000 0.242 167 A C 0.784 178.575 177.584 0.345 0.000 1.069 167 A CA 0.126 52.386 52.037 0.371 0.000 0.763 167 A CB 0.131 19.325 19.000 0.324 0.000 1.001 167 A HN 0.268 nan 8.150 nan 0.000 0.498 168 A N 2.076 125.090 122.820 0.322 0.000 2.546 168 A HA 0.490 4.811 4.320 0.001 0.000 0.243 168 A C 0.032 177.735 177.584 0.197 0.000 1.063 168 A CA 0.374 52.523 52.037 0.187 0.000 0.757 168 A CB -0.676 18.405 19.000 0.135 0.000 0.991 168 A HN 1.469 nan 8.150 nan 0.000 0.503 169 F N -0.005 119.978 119.950 0.055 0.000 2.631 169 F HA 0.721 5.249 4.527 0.001 0.000 0.328 169 F C -0.290 175.520 175.800 0.015 0.000 1.067 169 F CA -1.751 56.239 58.000 -0.016 0.000 0.969 169 F CB 0.727 39.645 39.000 -0.138 0.000 1.332 169 F HN 0.407 nan 8.300 nan 0.000 0.490 170 D N 0.084 120.611 120.400 0.212 0.000 2.339 170 D HA 0.492 5.133 4.640 0.001 0.000 0.245 170 D C 0.407 176.746 176.300 0.066 0.000 1.115 170 D CA 1.552 55.613 54.000 0.101 0.000 0.917 170 D CB 1.320 42.236 40.800 0.194 0.000 1.192 170 D HN 1.125 nan 8.370 nan 0.000 0.428 171 G N 2.243 111.065 108.800 0.037 0.000 2.757 171 G HA2 -0.168 3.793 3.960 0.001 0.000 0.638 171 G HA3 -0.168 3.793 3.960 0.001 0.000 0.638 171 G C 0.141 175.079 174.900 0.064 0.000 1.344 171 G CA -0.369 44.744 45.100 0.021 0.000 0.855 171 G HN 0.446 nan 8.290 nan 0.000 0.537 172 Q N 0.101 119.920 119.800 0.031 0.000 2.282 172 Q HA 0.155 4.496 4.340 0.001 0.000 0.206 172 Q C 1.396 177.408 176.000 0.019 0.000 0.878 172 Q CA 1.130 56.938 55.803 0.007 0.000 0.944 172 Q CB 0.502 29.212 28.738 -0.047 0.000 1.100 172 Q HN 0.844 nan 8.270 nan 0.000 0.509 173 R N -1.878 118.652 120.500 0.051 0.000 2.716 173 R HA 0.778 5.118 4.340 0.001 0.000 0.271 173 R C -0.700 175.798 176.300 0.331 0.000 1.028 173 R CA -0.432 55.702 56.100 0.056 0.000 0.883 173 R CB 0.713 30.480 30.300 -0.889 0.000 1.250 173 R HN -0.032 nan 8.270 nan 0.000 0.465 174 G N -0.707 108.397 108.800 0.508 0.000 2.355 174 G HA2 0.306 4.267 3.960 0.001 0.000 0.296 174 G HA3 0.306 4.267 3.960 0.001 0.000 0.296 174 G C -1.052 173.949 174.900 0.167 0.000 1.507 174 G CA -0.727 44.369 45.100 -0.008 0.000 0.823 174 G HN 0.428 nan 8.290 nan 0.000 0.569 175 W N 0.205 121.249 121.300 -0.426 0.000 2.374 175 W HA 0.266 4.927 4.660 0.002 0.000 0.288 175 W C 2.154 178.576 176.519 -0.160 0.000 1.218 175 W CA 2.216 59.488 57.345 -0.122 0.000 1.245 175 W CB -0.168 29.332 29.460 0.067 0.000 1.126 175 W HN 1.814 nan 8.180 nan 0.000 0.545 176 G N -3.164 105.383 108.800 -0.421 0.000 2.336 176 G HA2 -0.277 3.684 3.960 0.001 0.000 0.194 176 G HA3 -0.277 3.684 3.960 0.001 0.000 0.194 176 G C 0.615 175.163 174.900 -0.588 0.000 0.999 176 G CA 0.004 44.739 45.100 -0.609 0.000 0.669 176 G HN 0.254 nan 8.290 nan 0.000 0.482 177 Y N 1.729 122.005 120.300 -0.040 0.000 2.578 177 Y HA 0.235 4.786 4.550 0.001 0.000 0.297 177 Y C 1.617 177.632 175.900 0.191 0.000 1.176 177 Y CA 0.866 59.028 58.100 0.103 0.000 1.315 177 Y CB 0.290 38.910 38.460 0.267 0.000 1.031 177 Y HN 0.148 nan 8.280 nan 0.000 0.524 178 D N -0.441 119.996 120.400 0.060 0.000 2.368 178 D HA 0.108 4.748 4.640 0.001 0.000 0.218 178 D C 1.134 177.509 176.300 0.126 0.000 1.112 178 D CA 0.094 54.141 54.000 0.077 0.000 0.834 178 D CB -0.074 40.738 40.800 0.020 0.000 0.953 178 D HN 0.226 nan 8.370 nan 0.000 0.505 179 G N 0.491 109.365 108.800 0.123 0.000 2.257 179 G HA2 0.207 4.167 3.960 0.001 0.000 0.235 179 G HA3 0.207 4.167 3.960 0.001 0.000 0.235 179 G C 0.783 175.954 174.900 0.451 0.000 1.225 179 G CA 0.359 45.642 45.100 0.305 0.000 0.878 179 G HN 0.210 nan 8.290 nan 0.000 0.505 180 A N 1.827 124.940 122.820 0.489 0.000 2.140 180 A HA 0.706 5.027 4.320 0.001 0.000 0.199 180 A C 1.322 179.207 177.584 0.501 0.000 1.416 180 A CA 1.050 53.383 52.037 0.494 0.000 1.018 180 A CB 0.426 19.580 19.000 0.257 0.000 1.117 180 A HN 1.750 nan 8.150 nan 0.000 0.480 181 A N -0.053 123.062 122.820 0.492 0.000 2.508 181 A HA 0.624 4.944 4.320 0.001 0.000 0.336 181 A C 0.092 178.063 177.584 0.645 0.000 1.360 181 A CA -0.538 51.779 52.037 0.466 0.000 0.841 181 A CB -0.336 18.849 19.000 0.308 0.000 1.136 181 A HN 0.185 nan 8.150 nan 0.000 0.489 182 F N 0.391 120.643 119.950 0.504 0.000 2.365 182 F HA -0.058 4.470 4.527 0.001 0.000 0.300 182 F C 1.121 177.028 175.800 0.179 0.000 1.090 182 F CA 1.194 59.401 58.000 0.345 0.000 1.408 182 F CB -0.653 38.534 39.000 0.311 0.000 1.060 182 F HN 0.772 nan 8.300 nan 0.000 0.534 183 Y N -0.758 119.702 120.300 0.267 0.000 2.466 183 Y HA 0.440 4.991 4.550 0.001 0.000 0.272 183 Y C 1.037 176.983 175.900 0.077 0.000 1.169 183 Y CA -0.028 58.071 58.100 -0.001 0.000 1.285 183 Y CB 0.018 38.487 38.460 0.015 0.000 1.078 183 Y HN -0.119 nan 8.280 nan 0.000 0.523 184 A N 1.389 124.440 122.820 0.384 0.000 2.277 184 A HA 0.500 4.820 4.320 0.001 0.000 0.318 184 A C -2.750 175.112 177.584 0.463 0.000 1.339 184 A CA -1.873 50.403 52.037 0.399 0.000 0.875 184 A CB 0.123 19.301 19.000 0.297 0.000 1.158 184 A HN -0.106 nan 8.150 nan 0.000 0.514 185 P HA -0.009 nan 4.420 nan 0.000 0.268 185 P C -0.551 177.071 177.300 0.537 0.000 1.204 185 P CA 0.223 63.692 63.100 0.614 0.000 0.768 185 P CB 0.129 32.184 31.700 0.592 0.000 0.842 186 Y N 3.641 124.068 120.300 0.211 0.000 2.745 186 Y HA 0.102 4.653 4.550 0.001 0.000 0.335 186 Y C 1.526 177.359 175.900 -0.111 0.000 1.212 186 Y CA -0.204 57.797 58.100 -0.164 0.000 1.535 186 Y CB -0.046 38.092 38.460 -0.536 0.000 1.220 186 Y HN 0.556 nan 8.280 nan 0.000 0.531 187 A N 7.396 129.938 122.820 -0.462 0.000 1.940 187 A HA -0.106 4.214 4.320 0.001 0.000 0.219 187 A C -0.327 177.056 177.584 -0.335 0.000 1.176 187 A CA 1.420 53.308 52.037 -0.249 0.000 0.631 187 A CB -1.620 17.116 19.000 -0.440 0.000 0.814 187 A HN 0.726 nan 8.150 nan 0.000 0.446 188 P HA -0.145 nan 4.420 nan 0.000 0.221 188 P C 0.822 178.018 177.300 -0.173 0.000 1.145 188 P CA 0.985 63.793 63.100 -0.487 0.000 0.795 188 P CB -0.181 31.108 31.700 -0.685 0.000 0.775 189 Y N -1.350 118.762 120.300 -0.312 0.000 2.516 189 Y HA 0.193 4.744 4.550 0.001 0.000 0.291 189 Y C 1.460 177.030 175.900 -0.550 0.000 1.131 189 Y CA -0.185 57.640 58.100 -0.458 0.000 1.281 189 Y CB 0.212 38.245 38.460 -0.710 0.000 1.013 189 Y HN -0.020 nan 8.280 nan 0.000 0.554 190 G N 0.140 108.940 108.800 0.001 0.000 2.359 190 G HA2 0.076 4.036 3.960 0.001 0.000 0.314 190 G HA3 0.076 4.036 3.960 0.001 0.000 0.314 190 G C -1.422 173.672 174.900 0.324 0.000 1.364 190 G CA -1.192 44.021 45.100 0.188 0.000 0.978 190 G HN -0.025 nan 8.290 nan 0.000 0.615 191 R N 0.646 121.238 120.500 0.154 0.000 2.580 191 R HA 0.404 4.745 4.340 0.001 0.000 0.267 191 R C -1.443 174.771 176.300 -0.144 0.000 1.125 191 R CA -1.238 54.725 56.100 -0.227 0.000 1.188 191 R CB 0.688 30.854 30.300 -0.223 0.000 1.155 191 R HN 0.257 nan 8.270 nan 0.000 0.586 192 P HA -0.244 nan 4.420 nan 0.000 0.216 192 P C 0.809 178.116 177.300 0.011 0.000 1.153 192 P CA 1.416 64.535 63.100 0.033 0.000 0.858 192 P CB 0.102 31.809 31.700 0.013 0.000 0.789 193 E N -0.545 119.603 120.200 -0.086 0.000 2.268 193 E HA -0.183 4.168 4.350 0.001 0.000 0.195 193 E C 1.056 177.617 176.600 -0.066 0.000 0.995 193 E CA 1.173 57.509 56.400 -0.106 0.000 0.836 193 E CB -1.042 28.678 29.700 0.034 0.000 0.763 193 E HN 0.285 nan 8.360 nan 0.000 0.491 194 D N 1.050 121.466 120.400 0.027 0.000 2.149 194 D HA -0.033 4.608 4.640 0.001 0.000 0.201 194 D C 1.281 177.586 176.300 0.007 0.000 0.972 194 D CA 0.250 54.319 54.000 0.115 0.000 0.835 194 D CB -0.204 40.763 40.800 0.277 0.000 0.966 194 D HN 0.168 nan 8.370 nan 0.000 0.476 198 L N 1.198 122.369 121.223 -0.086 0.000 2.017 198 L HA -0.019 4.322 4.340 0.001 0.000 0.208 198 L C 2.165 178.937 176.870 -0.163 0.000 1.073 198 L CA 2.828 57.618 54.840 -0.085 0.000 0.745 198 L CB -0.578 41.429 42.059 -0.086 0.000 0.894 198 L HN 0.242 nan 8.230 nan 0.000 0.432 199 V N -0.079 119.684 119.914 -0.252 0.000 2.343 199 V HA -0.298 3.823 4.120 0.001 0.000 0.247 199 V C 2.335 178.216 176.094 -0.355 0.000 1.051 199 V CA 1.982 64.039 62.300 -0.405 0.000 1.036 199 V CB -0.819 30.746 31.823 -0.429 0.000 0.654 199 V HN 0.547 nan 8.190 nan 0.000 0.451 200 D N 0.162 120.568 120.400 0.010 0.000 2.123 200 D HA -0.162 4.479 4.640 0.001 0.000 0.196 200 D C 2.119 178.441 176.300 0.038 0.000 0.992 200 D CA 1.553 55.662 54.000 0.182 0.000 0.833 200 D CB -0.149 40.825 40.800 0.291 0.000 0.954 200 D HN 0.385 nan 8.370 nan 0.000 0.455 201 A N 0.306 123.117 122.820 -0.015 0.000 1.930 201 A HA 0.061 4.382 4.320 0.001 0.000 0.217 201 A C 2.331 179.876 177.584 -0.066 0.000 1.175 201 A CA 1.985 54.009 52.037 -0.021 0.000 0.627 201 A CB -0.994 17.998 19.000 -0.014 0.000 0.815 201 A HN 0.309 nan 8.150 nan 0.000 0.443 202 A N -0.559 122.175 122.820 -0.143 0.000 1.883 202 A HA -0.217 4.104 4.320 0.001 0.000 0.217 202 A C 1.939 179.388 177.584 -0.225 0.000 1.186 202 A CA 1.744 53.674 52.037 -0.178 0.000 0.624 202 A CB -1.100 17.758 19.000 -0.237 0.000 0.822 202 A HN 0.761 nan 8.150 nan 0.000 0.444 203 H N -1.266 117.563 119.070 -0.401 0.000 2.387 203 H HA -0.065 4.492 4.556 0.001 0.000 0.299 203 H C 2.318 177.470 175.328 -0.292 0.000 1.090 203 H CA 0.789 56.433 56.048 -0.674 0.000 1.332 203 H CB 0.098 29.499 29.762 -0.602 0.000 1.386 203 H HN 0.248 nan 8.280 nan 0.000 0.516 204 R N 0.769 121.275 120.500 0.011 0.000 2.120 204 R HA -0.071 4.269 4.340 0.001 0.000 0.234 204 R C 1.952 178.266 176.300 0.025 0.000 1.123 204 R CA 0.686 56.812 56.100 0.042 0.000 0.975 204 R CB -0.404 29.923 30.300 0.045 0.000 0.866 204 R HN 0.393 nan 8.270 nan 0.000 0.446 205 L N -0.249 120.966 121.223 -0.014 0.000 2.591 205 L HA 0.147 4.487 4.340 0.001 0.000 0.228 205 L C 0.896 177.770 176.870 0.007 0.000 1.133 205 L CA 0.455 55.293 54.840 -0.002 0.000 0.880 205 L CB -0.065 41.986 42.059 -0.013 0.000 1.033 205 L HN 0.349 nan 8.230 nan 0.000 0.450 206 G N 0.784 109.572 108.800 -0.019 0.000 2.160 206 G HA2 -0.264 3.697 3.960 0.001 0.000 0.244 206 G HA3 -0.264 3.697 3.960 0.001 0.000 0.244 206 G C -0.022 174.886 174.900 0.014 0.000 1.022 206 G CA -0.172 44.988 45.100 0.100 0.000 0.741 206 G HN 0.239 nan 8.290 nan 0.000 0.508 207 L N 0.491 121.587 121.223 -0.211 0.000 2.309 207 L HA 0.701 5.041 4.340 0.001 0.000 0.282 207 L C 1.254 177.999 176.870 -0.210 0.000 1.036 207 L CA -0.531 54.247 54.840 -0.104 0.000 0.806 207 L CB 1.590 43.619 42.059 -0.050 0.000 1.220 207 L HN 0.194 nan 8.230 nan 0.000 0.429 208 G N 1.831 110.736 108.800 0.175 0.000 2.537 208 G HA2 0.530 4.491 3.960 0.001 0.000 0.273 208 G HA3 0.530 4.491 3.960 0.001 0.000 0.273 208 G C -0.797 174.344 174.900 0.402 0.000 1.189 208 G CA -0.289 45.076 45.100 0.442 0.000 0.881 208 G HN 0.335 nan 8.290 nan 0.000 0.535 209 V N 0.665 120.841 119.914 0.437 0.000 2.623 209 V HA 0.487 4.608 4.120 0.001 0.000 0.304 209 V C -1.012 175.428 176.094 0.576 0.000 1.054 209 V CA -0.585 61.953 62.300 0.396 0.000 0.882 209 V CB 1.284 33.101 31.823 -0.009 0.000 1.002 209 V HN 0.630 nan 8.190 nan 0.000 0.424 210 F N 4.149 124.347 119.950 0.412 0.000 2.522 210 F HA 0.775 5.303 4.527 0.001 0.000 0.324 210 F C -0.344 175.499 175.800 0.072 0.000 1.077 210 F CA -0.947 57.233 58.000 0.301 0.000 0.944 210 F CB 2.196 41.346 39.000 0.250 0.000 1.175 210 F HN 0.363 nan 8.300 nan 0.000 0.468 211 L N 2.619 123.742 121.223 -0.166 0.000 2.362 211 L HA 0.463 4.804 4.340 0.001 0.000 0.275 211 L C -0.876 175.700 176.870 -0.489 0.000 0.998 211 L CA -0.440 54.033 54.840 -0.611 0.000 0.820 211 L CB 1.351 42.454 42.059 -1.593 0.000 1.270 211 L HN 0.422 nan 8.230 nan 0.000 0.415 212 D N 3.547 123.688 120.400 -0.433 0.000 2.343 212 D HA 0.372 5.013 4.640 0.001 0.000 0.255 212 D C -0.738 175.228 176.300 -0.558 0.000 1.187 212 D CA 0.193 53.947 54.000 -0.408 0.000 0.875 212 D CB 0.991 41.612 40.800 -0.298 0.000 1.136 212 D HN 0.416 nan 8.370 nan 0.000 0.469 213 V N 1.322 120.873 119.914 -0.605 0.000 2.769 213 V HA 0.660 4.781 4.120 0.001 0.000 0.312 213 V C -0.366 175.240 176.094 -0.813 0.000 1.061 213 V CA -0.897 60.918 62.300 -0.808 0.000 0.931 213 V CB 2.055 33.258 31.823 -1.034 0.000 1.010 213 V HN 0.179 nan 8.190 nan 0.000 0.433 214 V N 4.936 124.338 119.914 -0.852 0.000 2.289 214 V HA 0.354 4.475 4.120 0.001 0.000 0.272 214 V C -0.626 175.280 176.094 -0.313 0.000 1.026 214 V CA -0.126 61.874 62.300 -0.499 0.000 0.807 214 V CB 0.359 31.935 31.823 -0.412 0.000 1.044 214 V HN 0.926 nan 8.190 nan 0.000 0.443 215 Y N 2.647 122.928 120.300 -0.033 0.000 2.571 215 Y HA 0.150 4.701 4.550 0.001 0.000 0.275 215 Y C 1.601 177.709 175.900 0.346 0.000 1.179 215 Y CA -1.002 57.220 58.100 0.204 0.000 1.242 215 Y CB -0.621 37.959 38.460 0.201 0.000 1.126 215 Y HN 0.806 nan 8.280 nan 0.000 0.524 216 N N -0.645 118.301 118.700 0.410 0.000 2.294 216 N HA -0.003 4.738 4.740 0.001 0.000 0.186 216 N C 0.245 176.074 175.510 0.532 0.000 1.107 216 N CA 0.265 53.602 53.050 0.478 0.000 0.884 216 N CB 0.293 39.043 38.487 0.439 0.000 1.030 216 N HN 0.221 nan 8.380 nan 0.000 0.482 217 H N -2.217 117.068 119.070 0.359 0.000 3.037 217 H HA 0.334 4.891 4.556 0.001 0.000 0.336 217 H C -1.839 173.703 175.328 0.356 0.000 1.323 217 H CA -1.065 55.220 56.048 0.395 0.000 1.159 217 H CB 0.265 30.250 29.762 0.372 0.000 1.882 217 H HN -0.120 nan 8.280 nan 0.000 0.535 218 F N 0.579 120.783 119.950 0.424 0.000 2.458 218 F HA 0.522 5.050 4.527 0.001 0.000 0.330 218 F C 1.452 177.450 175.800 0.330 0.000 1.082 218 F CA 0.107 58.288 58.000 0.302 0.000 0.995 218 F CB 1.790 40.841 39.000 0.085 0.000 1.170 218 F HN 0.784 nan 8.300 nan 0.000 0.478 219 G N 1.723 110.713 108.800 0.317 0.000 2.699 219 G HA2 0.220 4.181 3.960 0.001 0.000 0.246 219 G HA3 0.220 4.181 3.960 0.001 0.000 0.246 219 G C -1.796 172.950 174.900 -0.257 0.000 1.219 219 G CA -0.927 44.113 45.100 -0.100 0.000 0.866 219 G HN 0.477 nan 8.290 nan 0.000 0.572 220 P HA 0.032 nan 4.420 nan 0.000 0.225 220 P C 0.571 177.698 177.300 -0.289 0.000 1.156 220 P CA 0.703 63.498 63.100 -0.508 0.000 0.787 220 P CB 0.636 31.786 31.700 -0.916 0.000 0.802 221 S N -1.130 114.451 115.700 -0.198 0.000 2.561 221 S HA 0.575 5.046 4.470 0.001 0.000 0.303 221 S C 0.660 175.253 174.600 -0.012 0.000 1.110 221 S CA 0.148 58.327 58.200 -0.034 0.000 1.034 221 S CB 0.511 63.776 63.200 0.109 0.000 1.010 221 S HN 0.303 nan 8.310 nan 0.000 0.482 222 G N 3.747 112.500 108.800 -0.078 0.000 2.179 222 G HA2 -0.205 3.756 3.960 0.001 0.000 0.220 222 G HA3 -0.205 3.756 3.960 0.001 0.000 0.220 222 G C -0.179 174.664 174.900 -0.096 0.000 0.990 222 G CA 0.016 45.050 45.100 -0.109 0.000 0.646 222 G HN 0.867 nan 8.290 nan 0.000 0.517 223 N N 0.015 118.565 118.700 -0.250 0.000 2.500 223 N HA 0.525 5.266 4.740 0.001 0.000 0.236 223 N C 0.357 175.638 175.510 -0.381 0.000 1.022 223 N CA -0.797 52.102 53.050 -0.250 0.000 0.935 223 N CB 0.196 38.515 38.487 -0.280 0.000 1.147 223 N HN 0.211 nan 8.380 nan 0.000 0.512 224 Y N 2.610 122.873 120.300 -0.061 0.000 2.468 224 Y HA 0.266 4.817 4.550 0.002 0.000 0.268 224 Y C 1.562 177.528 175.900 0.112 0.000 1.177 224 Y CA -0.169 57.962 58.100 0.052 0.000 1.265 224 Y CB 0.242 38.806 38.460 0.173 0.000 1.103 224 Y HN 0.491 nan 8.280 nan 0.000 0.522 225 L N -1.146 120.068 121.223 -0.015 0.000 2.079 225 L HA -0.276 4.064 4.340 0.001 0.000 0.210 225 L C 2.291 179.312 176.870 0.250 0.000 1.081 225 L CA 1.426 56.213 54.840 -0.088 0.000 0.752 225 L CB -0.469 41.159 42.059 -0.717 0.000 0.896 225 L HN 0.144 nan 8.230 nan 0.000 0.433 226 S N -0.912 114.945 115.700 0.261 0.000 2.419 226 S HA -0.160 4.311 4.470 0.001 0.000 0.233 226 S C 2.150 176.830 174.600 0.134 0.000 1.016 226 S CA 1.309 59.651 58.200 0.237 0.000 0.974 226 S CB -0.116 63.147 63.200 0.104 0.000 0.786 226 S HN 0.377 nan 8.310 nan 0.000 0.492 227 S N 0.149 115.928 115.700 0.132 0.000 2.419 227 S HA -0.045 4.426 4.470 0.001 0.000 0.233 227 S C 1.352 175.848 174.600 -0.172 0.000 1.016 227 S CA 1.041 59.232 58.200 -0.015 0.000 0.974 227 S CB -0.240 62.951 63.200 -0.015 0.000 0.786 227 S HN 0.629 nan 8.310 nan 0.000 0.492 228 Y N 0.757 121.058 120.300 0.001 0.000 2.301 228 Y HA 0.450 5.001 4.550 0.001 0.000 0.295 228 Y C 0.973 176.715 175.900 -0.263 0.000 1.126 228 Y CA 0.445 58.488 58.100 -0.094 0.000 1.154 228 Y CB 0.219 38.690 38.460 0.018 0.000 1.075 228 Y HN 0.198 nan 8.280 nan 0.000 0.534 229 A N -0.621 122.201 122.820 0.005 0.000 2.497 229 A HA 0.432 4.753 4.320 0.001 0.000 0.280 229 A C -2.423 175.166 177.584 0.008 0.000 1.065 229 A CA -1.197 50.671 52.037 -0.282 0.000 0.781 229 A CB 0.765 19.099 19.000 -1.110 0.000 1.289 229 A HN -0.060 nan 8.150 nan 0.000 0.415 230 P HA -0.179 nan 4.420 nan 0.000 0.217 230 P C 1.526 178.911 177.300 0.141 0.000 1.148 230 P CA 2.092 65.262 63.100 0.116 0.000 0.828 230 P CB 0.204 31.935 31.700 0.051 0.000 0.783 231 S N -3.004 112.731 115.700 0.057 0.000 2.603 231 S HA -0.116 4.355 4.470 0.001 0.000 0.229 231 S C 1.516 176.131 174.600 0.025 0.000 0.972 231 S CA 0.298 58.540 58.200 0.070 0.000 0.935 231 S CB -1.495 61.774 63.200 0.115 0.000 0.769 231 S HN 0.107 nan 8.310 nan 0.000 0.536 232 Y N 1.145 121.396 120.300 -0.081 0.000 2.333 232 Y HA 0.177 4.727 4.550 0.001 0.000 0.290 232 Y C 0.556 175.988 175.900 -0.779 0.000 1.144 232 Y CA 0.502 58.327 58.100 -0.457 0.000 1.228 232 Y CB -0.184 37.748 38.460 -0.880 0.000 0.985 232 Y HN 0.296 nan 8.280 nan 0.000 0.542 233 F N -2.145 117.871 119.950 0.110 0.000 2.598 233 F HA 0.538 5.065 4.527 0.001 0.000 0.327 233 F C 0.291 176.046 175.800 -0.076 0.000 1.057 233 F CA -1.361 56.632 58.000 -0.012 0.000 0.957 233 F CB 1.535 40.518 39.000 -0.028 0.000 1.278 233 F HN -0.527 nan 8.300 nan 0.000 0.484 234 T N -0.640 113.915 114.554 0.002 0.000 2.906 234 T HA 0.317 4.668 4.350 0.001 0.000 0.295 234 T C -0.189 174.387 174.700 -0.207 0.000 1.061 234 T CA -0.649 61.365 62.100 -0.144 0.000 1.000 234 T CB 1.099 69.812 68.868 -0.260 0.000 1.103 234 T HN 0.676 nan 8.240 nan 0.000 0.486 235 D N 2.188 122.513 120.400 -0.125 0.000 2.339 235 D HA 0.041 4.682 4.640 0.001 0.000 0.217 235 D C 1.585 177.829 176.300 -0.093 0.000 1.050 235 D CA -0.046 53.897 54.000 -0.096 0.000 0.856 235 D CB -0.100 40.677 40.800 -0.039 0.000 0.922 235 D HN 0.521 nan 8.370 nan 0.000 0.518 236 R N -0.115 120.298 120.500 -0.144 0.000 2.115 236 R HA 0.001 4.342 4.340 0.001 0.000 0.230 236 R C -0.295 176.079 176.300 0.125 0.000 1.111 236 R CA 0.814 56.911 56.100 -0.005 0.000 0.976 236 R CB -0.033 30.303 30.300 0.060 0.000 0.870 236 R HN 0.313 nan 8.270 nan 0.000 0.445 237 F N -3.639 116.355 119.950 0.074 0.000 2.686 237 F HA 0.611 5.139 4.527 0.001 0.000 0.311 237 F C -1.072 174.774 175.800 0.077 0.000 1.128 237 F CA -1.254 56.790 58.000 0.074 0.000 0.946 237 F CB 1.258 40.315 39.000 0.095 0.000 1.336 237 F HN -0.381 nan 8.300 nan 0.000 0.457 238 S N 0.257 116.121 115.700 0.272 0.000 2.638 238 S HA 0.800 5.271 4.470 0.001 0.000 0.302 238 S C -0.816 173.908 174.600 0.206 0.000 1.096 238 S CA -0.664 57.624 58.200 0.147 0.000 0.953 238 S CB 1.976 65.207 63.200 0.052 0.000 1.107 238 S HN 0.737 nan 8.310 nan 0.000 0.503 239 S N 0.609 116.392 115.700 0.138 0.000 2.768 239 S HA 0.604 5.075 4.470 0.001 0.000 0.300 239 S C 1.432 175.965 174.600 -0.111 0.000 1.122 239 S CA -0.196 58.052 58.200 0.080 0.000 0.995 239 S CB 1.023 64.363 63.200 0.233 0.000 1.195 239 S HN 0.818 nan 8.310 nan 0.000 0.547 240 A N -0.410 122.212 122.820 -0.330 0.000 1.978 240 A HA -0.077 4.244 4.320 0.001 0.000 0.220 240 A C 1.353 178.550 177.584 -0.645 0.000 1.170 240 A CA 1.382 53.029 52.037 -0.651 0.000 0.636 240 A CB -0.580 17.788 19.000 -1.054 0.000 0.810 240 A HN 0.876 nan 8.150 nan 0.000 0.448 241 W N -2.064 119.185 121.300 -0.086 0.000 2.915 241 W HA 0.432 5.093 4.660 0.001 0.000 0.276 241 W C 1.021 177.506 176.519 -0.057 0.000 1.215 241 W CA 0.351 57.668 57.345 -0.046 0.000 1.514 241 W CB 0.552 30.038 29.460 0.043 0.000 1.017 241 W HN 0.511 nan 8.180 nan 0.000 0.598 245 L N 1.675 123.143 121.223 0.408 0.000 2.361 245 L HA 0.344 4.685 4.340 0.001 0.000 0.278 245 L C 0.107 176.924 176.870 -0.087 0.000 1.113 245 L CA -0.393 54.550 54.840 0.172 0.000 0.849 245 L CB 1.242 43.333 42.059 0.053 0.000 1.155 245 L HN 0.501 nan 8.230 nan 0.000 0.452 246 D N 2.386 122.684 120.400 -0.171 0.000 2.468 246 D HA 0.046 4.687 4.640 0.001 0.000 0.218 246 D C 0.401 176.655 176.300 -0.076 0.000 1.155 246 D CA -0.187 53.776 54.000 -0.061 0.000 0.924 246 D CB 0.349 41.126 40.800 -0.040 0.000 1.029 246 D HN 0.325 nan 8.370 nan 0.000 0.515 247 Y N 1.646 122.066 120.300 0.201 0.000 2.632 247 Y HA 0.087 4.638 4.550 0.002 0.000 0.301 247 Y C 2.170 178.106 175.900 0.060 0.000 1.172 247 Y CA 0.315 58.482 58.100 0.112 0.000 1.328 247 Y CB -0.237 38.261 38.460 0.063 0.000 1.016 247 Y HN 0.524 nan 8.280 nan 0.000 0.529 248 A N -0.386 122.538 122.820 0.173 0.000 2.167 248 A HA -0.046 4.275 4.320 0.001 0.000 0.214 248 A C 0.851 178.468 177.584 0.056 0.000 1.151 248 A CA 0.450 52.550 52.037 0.104 0.000 0.735 248 A CB -0.259 18.797 19.000 0.093 0.000 0.802 248 A HN 0.188 nan 8.150 nan 0.000 0.467 249 E N 0.320 120.549 120.200 0.048 0.000 2.081 249 E HA 0.371 4.722 4.350 0.001 0.000 0.281 249 E C -2.081 174.499 176.600 -0.033 0.000 0.986 249 E CA -2.773 53.619 56.400 -0.014 0.000 0.796 249 E CB 1.018 30.708 29.700 -0.016 0.000 1.085 249 E HN 0.037 nan 8.360 nan 0.000 0.398 250 P HA -0.167 nan 4.420 nan 0.000 0.216 250 P C 0.019 177.219 177.300 -0.167 0.000 1.150 250 P CA 1.213 64.213 63.100 -0.167 0.000 0.843 250 P CB 0.026 31.545 31.700 -0.302 0.000 0.787 254 R N 0.451 121.132 120.500 0.302 0.000 2.189 254 R HA -0.015 4.325 4.340 0.001 0.000 0.218 254 R C 1.744 178.363 176.300 0.531 0.000 1.074 254 R CA 1.367 57.682 56.100 0.359 0.000 0.991 254 R CB -0.122 30.296 30.300 0.197 0.000 0.883 254 R HN 0.176 nan 8.270 nan 0.000 0.457 255 Y N 1.228 121.806 120.300 0.463 0.000 2.165 255 Y HA -0.272 4.279 4.550 0.002 0.000 0.286 255 Y C 2.146 178.244 175.900 0.331 0.000 1.155 255 Y CA 1.823 60.221 58.100 0.497 0.000 1.164 255 Y CB -0.019 38.655 38.460 0.357 0.000 0.978 255 Y HN -0.080 nan 8.280 nan 0.000 0.513 256 V N -2.603 117.493 119.914 0.303 0.000 2.649 256 V HA -0.097 4.023 4.120 0.001 0.000 0.248 256 V C 2.124 178.063 176.094 -0.257 0.000 1.054 256 V CA 1.833 64.004 62.300 -0.215 0.000 1.073 256 V CB -1.375 30.117 31.823 -0.551 0.000 0.699 256 V HN 0.538 nan 8.190 nan 0.000 0.463 257 T N -1.296 113.270 114.554 0.020 0.000 2.857 257 T HA 0.041 4.392 4.350 0.001 0.000 0.266 257 T C 2.058 176.759 174.700 0.002 0.000 1.048 257 T CA 1.479 63.619 62.100 0.067 0.000 1.139 257 T CB -0.984 68.017 68.868 0.221 0.000 0.874 257 T HN 0.642 nan 8.240 nan 0.000 0.455 258 G N 1.415 110.225 108.800 0.017 0.000 2.422 258 G HA2 -0.238 3.723 3.960 0.001 0.000 0.218 258 G HA3 -0.238 3.723 3.960 0.001 0.000 0.218 258 G C 1.647 176.470 174.900 -0.128 0.000 1.146 258 G CA 0.729 45.648 45.100 -0.301 0.000 0.769 258 G HN 0.617 nan 8.290 nan 0.000 0.547 259 N N 1.051 119.576 118.700 -0.293 0.000 2.106 259 N HA -0.083 4.658 4.740 0.001 0.000 0.188 259 N C 2.575 177.939 175.510 -0.243 0.000 1.029 259 N CA 1.215 53.835 53.050 -0.718 0.000 0.848 259 N CB -0.158 37.879 38.487 -0.751 0.000 1.007 259 N HN 0.223 nan 8.380 nan 0.000 0.423 260 A N 1.870 124.689 122.820 -0.002 0.000 1.883 260 A HA -0.110 4.211 4.320 0.001 0.000 0.217 260 A C 1.505 179.101 177.584 0.019 0.000 1.186 260 A CA 0.735 52.858 52.037 0.144 0.000 0.624 260 A CB -0.474 18.605 19.000 0.131 0.000 0.822 260 A HN 0.357 nan 8.150 nan 0.000 0.444 264 L N 0.956 122.320 121.223 0.235 0.000 2.023 264 L HA -0.037 4.304 4.340 0.001 0.000 0.205 264 L C 2.565 179.435 176.870 0.001 0.000 1.073 264 L CA 1.769 56.614 54.840 0.009 0.000 0.745 264 L CB -0.732 41.045 42.059 -0.470 0.000 0.900 264 L HN 0.012 nan 8.230 nan 0.000 0.435 265 R N 0.076 120.543 120.500 -0.055 0.000 2.062 265 R HA -0.125 4.216 4.340 0.001 0.000 0.226 265 R C 1.697 178.002 176.300 0.008 0.000 1.125 265 R CA 1.697 57.770 56.100 -0.046 0.000 0.966 265 R CB -0.003 30.259 30.300 -0.064 0.000 0.861 265 R HN 0.309 nan 8.270 nan 0.000 0.433 266 D N -0.885 119.468 120.400 -0.079 0.000 2.271 266 D HA -0.071 4.570 4.640 0.001 0.000 0.206 266 D C 0.852 177.014 176.300 -0.230 0.000 0.967 266 D CA 0.989 54.810 54.000 -0.297 0.000 0.867 266 D CB 0.184 40.370 40.800 -1.023 0.000 0.960 266 D HN 0.326 nan 8.370 nan 0.000 0.509 267 Y N -0.504 119.882 120.300 0.142 0.000 2.467 267 Y HA 0.178 4.728 4.550 0.001 0.000 0.250 267 Y C 0.273 176.256 175.900 0.138 0.000 1.155 267 Y CA -0.081 58.182 58.100 0.271 0.000 1.249 267 Y CB -0.043 38.710 38.460 0.489 0.000 1.146 267 Y HN 0.083 nan 8.280 nan 0.000 0.524 268 H N -2.320 116.727 119.070 -0.039 0.000 2.958 268 H HA -0.205 4.352 4.556 0.001 0.000 0.274 268 H C -0.223 175.138 175.328 0.055 0.000 1.184 268 H CA -0.039 55.917 56.048 -0.154 0.000 1.143 268 H CB -1.822 27.551 29.762 -0.648 0.000 1.297 268 H HN 0.192 nan 8.280 nan 0.000 0.356 269 F N 1.186 121.274 119.950 0.230 0.000 2.545 269 F HA -0.061 4.467 4.527 0.002 0.000 0.348 269 F C 1.864 177.752 175.800 0.147 0.000 1.163 269 F CA 0.668 58.748 58.000 0.135 0.000 1.331 269 F CB 0.449 39.475 39.000 0.044 0.000 1.138 269 F HN 0.101 nan 8.300 nan 0.000 0.602 270 D N 0.916 121.435 120.400 0.197 0.000 2.354 270 D HA 0.207 4.848 4.640 0.001 0.000 0.209 270 D C 0.790 176.869 176.300 -0.368 0.000 1.015 270 D CA 0.619 54.628 54.000 0.015 0.000 0.867 270 D CB 0.587 41.438 40.800 0.085 0.000 0.933 270 D HN 0.617 nan 8.370 nan 0.000 0.520 271 G N 0.040 108.498 108.800 -0.570 0.000 2.466 271 G HA2 0.485 4.446 3.960 0.001 0.000 0.291 271 G HA3 0.485 4.446 3.960 0.001 0.000 0.291 271 G C -1.928 172.846 174.900 -0.211 0.000 1.460 271 G CA -0.795 44.017 45.100 -0.480 0.000 0.791 271 G HN 0.006 nan 8.290 nan 0.000 0.505 272 L N 0.357 121.566 121.223 -0.024 0.000 2.381 272 L HA 0.688 5.029 4.340 0.001 0.000 0.268 272 L C 0.105 176.961 176.870 -0.024 0.000 0.997 272 L CA -1.069 53.719 54.840 -0.087 0.000 0.818 272 L CB 2.413 44.388 42.059 -0.141 0.000 1.310 272 L HN 0.503 nan 8.230 nan 0.000 0.416 273 R N 3.523 123.935 120.500 -0.147 0.000 2.246 273 R HA 0.483 4.824 4.340 0.001 0.000 0.332 273 R C -1.369 174.721 176.300 -0.349 0.000 0.974 273 R CA -0.604 55.344 56.100 -0.253 0.000 0.837 273 R CB 0.808 30.895 30.300 -0.354 0.000 1.145 273 R HN 0.646 nan 8.270 nan 0.000 0.467 274 L N 4.289 125.332 121.223 -0.300 0.000 2.325 274 L HA 0.170 4.511 4.340 0.001 0.000 0.284 274 L C 0.388 177.092 176.870 -0.278 0.000 1.089 274 L CA -0.508 54.158 54.840 -0.290 0.000 0.836 274 L CB 0.666 42.632 42.059 -0.156 0.000 1.184 274 L HN 0.548 nan 8.230 nan 0.000 0.444 275 D N 3.727 123.974 120.400 -0.255 0.000 2.455 275 D HA 0.270 4.911 4.640 0.001 0.000 0.241 275 D C 0.776 177.055 176.300 -0.036 0.000 1.138 275 D CA 0.567 54.483 54.000 -0.139 0.000 0.877 275 D CB 0.907 41.701 40.800 -0.009 0.000 1.187 275 D HN 0.761 nan 8.370 nan 0.000 0.451 276 A N 2.905 125.723 122.820 -0.004 0.000 2.466 276 A HA -0.221 4.100 4.320 0.001 0.000 0.295 276 A C 1.556 179.185 177.584 0.076 0.000 1.465 276 A CA 1.441 53.554 52.037 0.127 0.000 0.744 276 A CB -2.422 16.764 19.000 0.310 0.000 1.098 276 A HN 0.833 nan 8.150 nan 0.000 0.402 277 T N -2.639 111.876 114.554 -0.064 0.000 2.881 277 T HA -0.047 4.304 4.350 0.001 0.000 0.270 277 T C -0.262 174.310 174.700 -0.214 0.000 1.068 277 T CA 1.337 63.380 62.100 -0.095 0.000 1.131 277 T CB -1.058 67.739 68.868 -0.118 0.000 0.871 277 T HN 0.504 nan 8.240 nan 0.000 0.479 278 P HA 0.029 nan 4.420 nan 0.000 0.223 278 P C -0.176 176.676 177.300 -0.747 0.000 1.144 278 P CA 0.826 63.473 63.100 -0.756 0.000 0.783 278 P CB -0.141 30.810 31.700 -1.249 0.000 0.771 282 D N 1.212 121.590 120.400 -0.037 0.000 2.861 282 D HA 0.314 4.954 4.640 0.001 0.000 0.216 282 D C -0.591 175.689 176.300 -0.034 0.000 1.323 282 D CA -0.478 53.477 54.000 -0.075 0.000 0.917 282 D CB 1.427 41.961 40.800 -0.443 0.000 1.582 282 D HN 0.362 nan 8.370 nan 0.000 0.576 283 D N 1.510 121.935 120.400 0.041 0.000 2.368 283 D HA 0.085 4.725 4.640 0.001 0.000 0.218 283 D C 0.073 176.403 176.300 0.050 0.000 1.112 283 D CA -0.018 54.017 54.000 0.058 0.000 0.834 283 D CB 0.509 41.352 40.800 0.071 0.000 0.953 283 D HN 0.191 nan 8.370 nan 0.000 0.505 284 S N 0.907 116.624 115.700 0.029 0.000 2.573 284 S HA -0.057 4.414 4.470 0.001 0.000 0.277 284 S C 1.556 176.180 174.600 0.041 0.000 1.346 284 S CA -0.241 57.978 58.200 0.031 0.000 1.034 284 S CB 2.014 65.224 63.200 0.018 0.000 0.879 284 S HN 0.264 nan 8.310 nan 0.000 0.528 285 E N 1.555 121.780 120.200 0.042 0.000 2.070 285 E HA -0.159 4.192 4.350 0.001 0.000 0.197 285 E C -0.039 176.595 176.600 0.057 0.000 1.004 285 E CA 1.077 57.505 56.400 0.046 0.000 0.805 285 E CB 0.074 29.797 29.700 0.040 0.000 0.744 285 E HN 0.578 nan 8.360 nan 0.000 0.451 286 T N 1.383 115.969 114.554 0.055 0.000 2.733 286 T HA 0.079 4.430 4.350 0.001 0.000 0.294 286 T C -0.466 174.273 174.700 0.065 0.000 0.956 286 T CA -0.423 61.717 62.100 0.067 0.000 0.987 286 T CB 0.894 69.803 68.868 0.069 0.000 0.920 286 T HN 0.198 nan 8.240 nan 0.000 0.470 287 H N 2.987 122.049 119.070 -0.012 0.000 2.790 287 H HA 0.072 4.629 4.556 0.001 0.000 0.358 287 H C 1.228 176.518 175.328 -0.064 0.000 1.103 287 H CA -0.324 55.703 56.048 -0.034 0.000 1.426 287 H CB 0.726 30.454 29.762 -0.056 0.000 1.424 287 H HN 0.537 nan 8.280 nan 0.000 0.599 288 I N 4.251 124.623 120.570 -0.329 0.000 2.335 288 I HA -0.277 3.894 4.170 0.001 0.000 0.251 288 I C 2.113 178.199 176.117 -0.051 0.000 1.129 288 I CA 1.243 62.391 61.300 -0.253 0.000 1.402 288 I CB -0.324 37.268 38.000 -0.680 0.000 1.069 288 I HN 0.652 nan 8.210 nan 0.000 0.424 289 L N -0.598 120.756 121.223 0.218 0.000 2.046 289 L HA -0.210 4.131 4.340 0.001 0.000 0.208 289 L C 2.372 179.255 176.870 0.021 0.000 1.077 289 L CA 1.828 56.721 54.840 0.088 0.000 0.747 289 L CB -1.120 40.960 42.059 0.034 0.000 0.896 289 L HN 0.209 nan 8.230 nan 0.000 0.432 290 T N -1.111 113.470 114.554 0.046 0.000 2.746 290 T HA -0.242 4.108 4.350 0.001 0.000 0.267 290 T C 1.767 176.444 174.700 -0.038 0.000 1.039 290 T CA 1.529 63.638 62.100 0.014 0.000 1.142 290 T CB -0.118 68.776 68.868 0.043 0.000 0.866 290 T HN 0.382 nan 8.240 nan 0.000 0.444 291 E N 0.570 120.751 120.200 -0.032 0.000 2.106 291 E HA -0.057 4.293 4.350 0.001 0.000 0.192 291 E C 2.132 178.673 176.600 -0.098 0.000 0.984 291 E CA 0.585 56.946 56.400 -0.065 0.000 0.806 291 E CB -0.197 29.511 29.700 0.014 0.000 0.750 291 E HN 0.412 nan 8.360 nan 0.000 0.458 292 L N 0.515 121.698 121.223 -0.067 0.000 2.012 292 L HA -0.212 4.129 4.340 0.001 0.000 0.210 292 L C 2.648 179.435 176.870 -0.137 0.000 1.073 292 L CA 1.393 56.196 54.840 -0.062 0.000 0.748 292 L CB -0.441 41.608 42.059 -0.018 0.000 0.891 292 L HN 0.234 nan 8.230 nan 0.000 0.431 293 A N -0.792 121.928 122.820 -0.167 0.000 1.902 293 A HA -0.272 4.049 4.320 0.001 0.000 0.217 293 A C 2.187 179.496 177.584 -0.459 0.000 1.181 293 A CA 1.709 53.550 52.037 -0.327 0.000 0.623 293 A CB -0.504 18.401 19.000 -0.158 0.000 0.818 293 A HN 0.500 nan 8.150 nan 0.000 0.443 294 Q N -0.739 118.845 119.800 -0.359 0.000 2.061 294 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 294 Q C 2.031 177.698 176.000 -0.555 0.000 0.984 294 Q CA 1.505 56.933 55.803 -0.624 0.000 0.846 294 Q CB -0.171 27.802 28.738 -1.276 0.000 0.902 294 Q HN 0.606 nan 8.270 nan 0.000 0.421 295 E N 0.392 120.396 120.200 -0.326 0.000 2.150 295 E HA -0.135 4.215 4.350 0.001 0.000 0.193 295 E C 1.983 178.589 176.600 0.010 0.000 0.985 295 E CA 0.834 57.251 56.400 0.028 0.000 0.814 295 E CB -0.014 29.766 29.700 0.133 0.000 0.752 295 E HN 0.428 nan 8.360 nan 0.000 0.466 296 I N 0.087 120.593 120.570 -0.106 0.000 2.233 296 I HA -0.234 3.937 4.170 0.001 0.000 0.243 296 I C 2.150 178.259 176.117 -0.013 0.000 1.093 296 I CA 1.003 62.241 61.300 -0.104 0.000 1.380 296 I CB -0.358 37.541 38.000 -0.167 0.000 1.067 296 I HN 0.139 nan 8.210 nan 0.000 0.413 297 H N -0.011 119.061 119.070 0.004 0.000 2.426 297 H HA -0.206 4.351 4.556 0.001 0.000 0.298 297 H C 2.132 177.494 175.328 0.056 0.000 1.107 297 H CA 1.130 57.189 56.048 0.017 0.000 1.298 297 H CB 0.066 29.802 29.762 -0.043 0.000 1.377 297 H HN 0.261 nan 8.280 nan 0.000 0.519 298 E N 1.474 121.789 120.200 0.192 0.000 2.204 298 E HA -0.140 4.211 4.350 0.001 0.000 0.195 298 E C 1.908 178.603 176.600 0.158 0.000 0.990 298 E CA 0.500 57.030 56.400 0.217 0.000 0.821 298 E CB -0.043 29.862 29.700 0.342 0.000 0.750 298 E HN 0.553 nan 8.360 nan 0.000 0.477 299 L N -0.254 121.053 121.223 0.139 0.000 2.450 299 L HA -0.070 4.271 4.340 0.001 0.000 0.224 299 L C 1.550 178.497 176.870 0.128 0.000 1.149 299 L CA 0.736 55.648 54.840 0.121 0.000 0.816 299 L CB -0.592 41.526 42.059 0.098 0.000 0.932 299 L HN 0.273 nan 8.230 nan 0.000 0.449 300 G N -0.044 108.831 108.800 0.125 0.000 2.221 300 G HA2 -0.202 3.759 3.960 0.001 0.000 0.265 300 G HA3 -0.202 3.759 3.960 0.001 0.000 0.265 300 G C 0.394 175.314 174.900 0.033 0.000 1.041 300 G CA 0.110 45.252 45.100 0.070 0.000 0.807 300 G HN 0.559 nan 8.290 nan 0.000 0.502 301 G N -1.562 107.269 108.800 0.051 0.000 3.008 301 G HA2 0.763 4.724 3.960 0.001 0.000 0.181 301 G HA3 0.763 4.724 3.960 0.001 0.000 0.181 301 G C 0.798 175.572 174.900 -0.211 0.000 1.309 301 G CA 0.821 45.819 45.100 -0.171 0.000 1.009 301 G HN 1.224 nan 8.290 nan 0.000 0.584 302 T N -2.276 112.019 114.554 -0.433 0.000 3.252 302 T HA 0.312 4.663 4.350 0.001 0.000 0.286 302 T C -0.022 174.560 174.700 -0.197 0.000 1.013 302 T CA -0.314 61.640 62.100 -0.243 0.000 0.914 302 T CB -0.675 68.055 68.868 -0.230 0.000 1.131 302 T HN 0.430 nan 8.240 nan 0.000 0.529 303 H N 1.149 120.227 119.070 0.013 0.000 2.790 303 H HA 0.517 5.074 4.556 0.001 0.000 0.358 303 H C 0.223 175.576 175.328 0.040 0.000 1.103 303 H CA -0.203 55.845 56.048 -0.001 0.000 1.426 303 H CB 0.496 30.253 29.762 -0.009 0.000 1.424 303 H HN 0.254 nan 8.280 nan 0.000 0.599 304 L N 2.521 123.841 121.223 0.162 0.000 2.322 304 L HA 0.487 4.828 4.340 0.001 0.000 0.269 304 L C -0.562 176.412 176.870 0.174 0.000 1.012 304 L CA -0.784 54.184 54.840 0.213 0.000 0.815 304 L CB 1.289 43.586 42.059 0.396 0.000 1.295 304 L HN 0.347 nan 8.230 nan 0.000 0.438 305 L N 3.119 124.437 121.223 0.158 0.000 2.381 305 L HA 0.520 4.861 4.340 0.001 0.000 0.274 305 L C -1.164 175.778 176.870 0.119 0.000 0.988 305 L CA -0.566 54.334 54.840 0.101 0.000 0.824 305 L CB 2.121 44.196 42.059 0.026 0.000 1.263 305 L HN 0.298 nan 8.230 nan 0.000 0.410 306 L N 2.743 124.024 121.223 0.097 0.000 2.362 306 L HA 0.658 4.999 4.340 0.001 0.000 0.275 306 L C 0.116 176.953 176.870 -0.054 0.000 0.998 306 L CA -0.392 54.494 54.840 0.076 0.000 0.820 306 L CB 1.848 43.990 42.059 0.139 0.000 1.270 306 L HN 0.660 nan 8.230 nan 0.000 0.415 307 A N 2.713 125.509 122.820 -0.040 0.000 2.274 307 A HA 0.360 4.681 4.320 0.001 0.000 0.309 307 A C 0.197 177.695 177.584 -0.144 0.000 1.226 307 A CA -0.477 51.496 52.037 -0.106 0.000 0.853 307 A CB 0.532 19.488 19.000 -0.073 0.000 1.146 307 A HN 0.732 nan 8.150 nan 0.000 0.518 308 E N 2.735 122.774 120.200 -0.268 0.000 1.941 308 E HA 0.109 4.459 4.350 0.001 0.000 0.275 308 E C -1.285 175.247 176.600 -0.113 0.000 1.113 308 E CA 0.023 56.290 56.400 -0.221 0.000 0.878 308 E CB 0.250 29.733 29.700 -0.362 0.000 1.070 308 E HN 0.659 nan 8.360 nan 0.000 0.399 309 D N 2.781 123.143 120.400 -0.064 0.000 2.863 309 D HA 0.043 4.684 4.640 0.001 0.000 0.245 309 D C 0.132 176.335 176.300 -0.162 0.000 1.211 309 D CA -0.462 53.428 54.000 -0.185 0.000 0.888 309 D CB 0.879 41.561 40.800 -0.197 0.000 1.483 309 D HN 0.663 nan 8.370 nan 0.000 0.533 310 H N 1.631 120.603 119.070 -0.164 0.000 2.551 310 H HA 0.303 4.860 4.556 0.001 0.000 0.271 310 H C 0.977 176.121 175.328 -0.306 0.000 0.984 310 H CA 0.147 56.068 56.048 -0.212 0.000 1.164 310 H CB 0.127 29.765 29.762 -0.206 0.000 1.437 310 H HN 0.141 nan 8.280 nan 0.000 0.550 311 R N 0.520 120.790 120.500 -0.384 0.000 2.313 311 R HA 0.041 4.382 4.340 0.001 0.000 0.199 311 R C -0.214 175.864 176.300 -0.371 0.000 0.958 311 R CA 0.250 56.174 56.100 -0.293 0.000 1.047 311 R CB -0.058 30.070 30.300 -0.287 0.000 0.955 311 R HN 0.231 nan 8.270 nan 0.000 0.481 312 N N 0.855 119.158 118.700 -0.662 0.000 2.696 312 N HA -0.188 4.553 4.740 0.001 0.000 0.256 312 N C -1.401 173.655 175.510 -0.755 0.000 1.031 312 N CA 0.725 52.865 53.050 -1.516 0.000 0.730 312 N CB -0.872 36.587 38.487 -1.714 0.000 0.894 312 N HN 0.111 nan 8.380 nan 0.000 0.544 313 L N 0.834 121.843 121.223 -0.356 0.000 2.324 313 L HA 0.499 4.840 4.340 0.001 0.000 0.274 313 L C -1.562 175.344 176.870 0.060 0.000 1.012 313 L CA -1.703 53.073 54.840 -0.107 0.000 0.859 313 L CB 1.490 43.417 42.059 -0.219 0.000 1.224 313 L HN -0.137 nan 8.230 nan 0.000 0.429 314 P HA -0.094 nan 4.420 nan 0.000 0.222 314 P C 0.474 177.756 177.300 -0.030 0.000 1.147 314 P CA 0.911 64.093 63.100 0.135 0.000 0.790 314 P CB 0.357 32.130 31.700 0.121 0.000 0.780 315 D N -0.241 120.095 120.400 -0.105 0.000 2.265 315 D HA -0.114 4.527 4.640 0.001 0.000 0.208 315 D C 2.000 178.194 176.300 -0.176 0.000 0.977 315 D CA 0.701 54.606 54.000 -0.159 0.000 0.871 315 D CB -0.766 39.912 40.800 -0.203 0.000 0.925 315 D HN 0.212 nan 8.370 nan 0.000 0.485 316 L N -0.248 120.887 121.223 -0.147 0.000 2.079 316 L HA -0.168 4.173 4.340 0.001 0.000 0.210 316 L C 2.276 179.074 176.870 -0.120 0.000 1.081 316 L CA 0.690 55.444 54.840 -0.143 0.000 0.752 316 L CB -0.183 41.812 42.059 -0.107 0.000 0.896 316 L HN 0.007 nan 8.230 nan 0.000 0.433 317 V N -1.060 118.795 119.914 -0.099 0.000 2.426 317 V HA -0.151 3.970 4.120 0.001 0.000 0.242 317 V C 2.515 178.538 176.094 -0.119 0.000 1.036 317 V CA 1.974 64.227 62.300 -0.079 0.000 1.044 317 V CB -0.306 31.471 31.823 -0.076 0.000 0.688 317 V HN 0.611 nan 8.190 nan 0.000 0.462 318 T N -2.957 111.512 114.554 -0.142 0.000 3.067 318 T HA 0.051 4.402 4.350 0.001 0.000 0.257 318 T C 1.461 175.982 174.700 -0.299 0.000 1.105 318 T CA 1.115 63.131 62.100 -0.141 0.000 1.104 318 T CB 0.525 69.343 68.868 -0.082 0.000 0.925 318 T HN 0.204 nan 8.240 nan 0.000 0.498 319 V N 1.418 121.104 119.914 -0.380 0.000 2.911 319 V HA 0.198 4.319 4.120 0.001 0.000 0.237 319 V C 1.949 177.692 176.094 -0.585 0.000 1.156 319 V CA 0.707 62.747 62.300 -0.433 0.000 1.180 319 V CB -0.391 31.294 31.823 -0.231 0.000 0.932 319 V HN 0.367 nan 8.190 nan 0.000 0.483 320 N N -0.786 117.677 118.700 -0.394 0.000 2.463 320 N HA -0.030 4.711 4.740 0.001 0.000 0.181 320 N C 0.130 175.555 175.510 -0.141 0.000 1.078 320 N CA 0.449 53.356 53.050 -0.237 0.000 0.902 320 N CB 0.023 38.404 38.487 -0.175 0.000 0.970 320 N HN 0.442 nan 8.380 nan 0.000 0.451 321 H N -1.219 117.845 119.070 -0.009 0.000 2.936 321 H HA -0.134 4.423 4.556 0.002 0.000 0.276 321 H C -0.262 175.096 175.328 0.050 0.000 1.216 321 H CA 0.461 56.532 56.048 0.038 0.000 1.132 321 H CB -2.116 27.699 29.762 0.089 0.000 1.303 321 H HN 0.270 nan 8.280 nan 0.000 0.370 322 L N 0.399 121.654 121.223 0.053 0.000 2.476 322 L HA 0.069 4.410 4.340 0.001 0.000 0.255 322 L C 1.719 178.631 176.870 0.069 0.000 1.218 322 L CA 0.089 54.957 54.840 0.047 0.000 0.819 322 L CB 0.416 42.476 42.059 0.001 0.000 1.119 322 L HN 0.039 nan 8.230 nan 0.000 0.485 323 D N -0.024 120.429 120.400 0.089 0.000 2.301 323 D HA 0.168 4.809 4.640 0.001 0.000 0.206 323 D C 0.625 176.965 176.300 0.068 0.000 0.979 323 D CA 0.667 54.727 54.000 0.099 0.000 0.874 323 D CB 1.101 41.994 40.800 0.155 0.000 0.968 323 D HN 0.698 nan 8.370 nan 0.000 0.510 324 G N 0.021 108.864 108.800 0.073 0.000 2.495 324 G HA2 0.539 4.499 3.960 0.001 0.000 0.294 324 G HA3 0.539 4.499 3.960 0.001 0.000 0.294 324 G C -1.870 173.085 174.900 0.093 0.000 1.397 324 G CA -0.731 44.400 45.100 0.053 0.000 0.790 324 G HN -0.001 nan 8.290 nan 0.000 0.486 325 I N -0.475 120.169 120.570 0.122 0.000 2.569 325 I HA 0.319 4.490 4.170 0.001 0.000 0.290 325 I C -1.073 175.258 176.117 0.356 0.000 1.088 325 I CA -0.613 60.805 61.300 0.196 0.000 1.047 325 I CB 2.396 40.504 38.000 0.180 0.000 1.237 325 I HN 0.422 nan 8.210 nan 0.000 0.421 326 W N 4.838 126.174 121.300 0.059 0.000 2.565 326 W HA 0.258 4.919 4.660 0.002 0.000 0.325 326 W C 0.849 177.445 176.519 0.130 0.000 1.408 326 W CA -0.190 57.203 57.345 0.080 0.000 1.350 326 W CB 0.469 29.934 29.460 0.008 0.000 1.426 326 W HN 0.288 nan 8.180 nan 0.000 0.538 327 T N 2.915 117.707 114.554 0.397 0.000 2.792 327 T HA 0.220 4.571 4.350 0.001 0.000 0.280 327 T C 0.506 175.349 174.700 0.239 0.000 0.990 327 T CA -0.680 61.654 62.100 0.390 0.000 0.960 327 T CB 0.918 70.205 68.868 0.698 0.000 0.939 327 T HN 0.294 nan 8.240 nan 0.000 0.439 328 D N 3.025 123.458 120.400 0.054 0.000 2.354 328 D HA 0.050 4.690 4.640 0.001 0.000 0.209 328 D C 1.160 177.232 176.300 -0.380 0.000 1.015 328 D CA 0.211 54.051 54.000 -0.266 0.000 0.867 328 D CB 0.354 40.780 40.800 -0.625 0.000 0.933 328 D HN 0.619 nan 8.370 nan 0.000 0.520 329 D N 0.420 120.812 120.400 -0.014 0.000 2.133 329 D HA -0.180 4.461 4.640 0.001 0.000 0.195 329 D C 1.714 178.007 176.300 -0.012 0.000 0.997 329 D CA 0.575 54.658 54.000 0.137 0.000 0.840 329 D CB -0.362 40.721 40.800 0.473 0.000 0.947 329 D HN 0.221 nan 8.370 nan 0.000 0.452 330 F N 1.217 121.035 119.950 -0.219 0.000 2.069 330 F HA -0.246 4.282 4.527 0.001 0.000 0.298 330 F C 2.447 178.080 175.800 -0.279 0.000 1.113 330 F CA 1.751 59.499 58.000 -0.421 0.000 1.214 330 F CB -0.400 37.878 39.000 -1.202 0.000 0.978 330 F HN 0.092 nan 8.300 nan 0.000 0.474 331 H N -0.562 118.376 119.070 -0.219 0.000 2.319 331 H HA -0.214 4.343 4.556 0.001 0.000 0.297 331 H C 2.198 177.467 175.328 -0.098 0.000 1.097 331 H CA 2.479 58.423 56.048 -0.172 0.000 1.285 331 H CB -0.605 29.114 29.762 -0.071 0.000 1.368 331 H HN 0.346 nan 8.280 nan 0.000 0.495 332 H N 0.287 119.245 119.070 -0.187 0.000 2.357 332 H HA -0.064 4.493 4.556 0.001 0.000 0.301 332 H C 2.382 177.454 175.328 -0.427 0.000 1.082 332 H CA 1.386 57.276 56.048 -0.263 0.000 1.342 332 H CB -0.423 28.909 29.762 -0.716 0.000 1.389 332 H HN 0.451 nan 8.280 nan 0.000 0.511 333 E N 0.243 120.230 120.200 -0.355 0.000 2.077 333 E HA -0.116 4.234 4.350 0.001 0.000 0.193 333 E C 2.053 178.519 176.600 -0.223 0.000 0.989 333 E CA 1.681 57.978 56.400 -0.171 0.000 0.800 333 E CB -0.012 29.645 29.700 -0.072 0.000 0.746 333 E HN 0.341 nan 8.360 nan 0.000 0.452 334 T N -0.005 114.308 114.554 -0.402 0.000 2.708 334 T HA -0.169 4.182 4.350 0.001 0.000 0.266 334 T C 1.858 176.414 174.700 -0.241 0.000 1.037 334 T CA 1.491 63.378 62.100 -0.354 0.000 1.146 334 T CB -0.273 68.275 68.868 -0.534 0.000 0.865 334 T HN 0.185 nan 8.240 nan 0.000 0.435 335 R N 0.643 120.957 120.500 -0.310 0.000 2.081 335 R HA -0.062 4.279 4.340 0.001 0.000 0.235 335 R C 2.318 178.487 176.300 -0.218 0.000 1.131 335 R CA 1.176 57.120 56.100 -0.260 0.000 0.960 335 R CB -0.544 29.557 30.300 -0.331 0.000 0.856 335 R HN 0.213 nan 8.270 nan 0.000 0.436 336 V N 0.732 120.547 119.914 -0.166 0.000 2.407 336 V HA -0.244 3.877 4.120 0.001 0.000 0.248 336 V C 2.192 178.224 176.094 -0.102 0.000 1.055 336 V CA 2.306 64.542 62.300 -0.107 0.000 1.049 336 V CB -0.607 31.244 31.823 0.046 0.000 0.662 336 V HN 0.499 nan 8.190 nan 0.000 0.455 337 T N 0.548 115.033 114.554 -0.116 0.000 2.665 337 T HA -0.177 4.174 4.350 0.001 0.000 0.268 337 T C 1.764 176.378 174.700 -0.143 0.000 1.035 337 T CA 1.715 63.727 62.100 -0.145 0.000 1.151 337 T CB -0.283 68.463 68.868 -0.203 0.000 0.862 337 T HN 0.347 nan 8.240 nan 0.000 0.438 338 L N 0.752 121.903 121.223 -0.120 0.000 2.341 338 L HA 0.051 4.392 4.340 0.001 0.000 0.214 338 L C 2.668 179.493 176.870 -0.074 0.000 1.115 338 L CA 1.308 56.103 54.840 -0.074 0.000 0.820 338 L CB -0.482 41.579 42.059 0.002 0.000 0.944 338 L HN 0.454 nan 8.230 nan 0.000 0.452 339 T N -5.874 108.616 114.554 -0.107 0.000 2.955 339 T HA 0.249 4.600 4.350 0.001 0.000 0.251 339 T C 1.503 176.139 174.700 -0.107 0.000 1.002 339 T CA 0.582 62.616 62.100 -0.111 0.000 0.970 339 T CB 0.948 69.722 68.868 -0.155 0.000 1.091 339 T HN 0.286 nan 8.240 nan 0.000 0.495 340 G N 2.618 111.353 108.800 -0.108 0.000 2.184 340 G HA2 -0.301 3.660 3.960 0.001 0.000 0.264 340 G HA3 -0.301 3.660 3.960 0.001 0.000 0.264 340 G C -0.051 174.796 174.900 -0.088 0.000 0.975 340 G CA 0.432 45.482 45.100 -0.083 0.000 0.642 340 G HN 1.119 nan 8.290 nan 0.000 0.536 341 E N -0.073 120.041 120.200 -0.144 0.000 2.418 341 E HA 0.415 4.766 4.350 0.001 0.000 0.261 341 E C 0.285 176.843 176.600 -0.070 0.000 1.070 341 E CA 0.049 56.361 56.400 -0.148 0.000 0.931 341 E CB 0.503 30.044 29.700 -0.265 0.000 0.954 341 E HN 0.255 nan 8.360 nan 0.000 0.439 342 Q N 0.719 120.506 119.800 -0.022 0.000 2.064 342 Q HA 0.122 4.462 4.340 0.001 0.000 0.213 342 Q C -0.802 175.211 176.000 0.022 0.000 0.779 342 Q CA -0.090 55.729 55.803 0.027 0.000 1.032 342 Q CB 0.977 29.712 28.738 -0.006 0.000 1.203 342 Q HN 0.546 nan 8.270 nan 0.000 0.457 343 E N 0.751 120.968 120.200 0.028 0.000 2.366 343 E HA 0.412 4.763 4.350 0.001 0.000 0.266 343 E C 1.015 177.574 176.600 -0.069 0.000 1.051 343 E CA 0.640 57.034 56.400 -0.011 0.000 0.884 343 E CB 0.725 30.424 29.700 -0.002 0.000 1.006 343 E HN 0.308 nan 8.360 nan 0.000 0.417 344 G N 2.418 111.143 108.800 -0.126 0.000 2.574 344 G HA2 -0.391 3.569 3.960 0.001 0.000 0.286 344 G HA3 -0.391 3.569 3.960 0.001 0.000 0.286 344 G C 0.705 175.469 174.900 -0.227 0.000 1.212 344 G CA 0.733 45.707 45.100 -0.211 0.000 0.979 344 G HN 0.677 nan 8.290 nan 0.000 0.557 345 Y N -0.954 119.248 120.300 -0.163 0.000 2.571 345 Y HA 0.288 4.839 4.550 0.001 0.000 0.294 345 Y C 2.485 178.314 175.900 -0.119 0.000 1.141 345 Y CA 1.302 59.331 58.100 -0.117 0.000 1.308 345 Y CB -0.758 37.702 38.460 0.001 0.000 1.002 345 Y HN 0.436 nan 8.280 nan 0.000 0.551 346 Y N 1.280 121.541 120.300 -0.065 0.000 2.333 346 Y HA -0.091 4.460 4.550 0.002 0.000 0.290 346 Y C 2.613 178.584 175.900 0.119 0.000 1.144 346 Y CA 0.584 58.738 58.100 0.091 0.000 1.228 346 Y CB -0.855 37.553 38.460 -0.086 0.000 0.985 346 Y HN 0.316 nan 8.280 nan 0.000 0.542 347 A N 0.030 122.880 122.820 0.050 0.000 2.178 347 A HA -0.076 4.244 4.320 0.001 0.000 0.218 347 A C 2.460 179.904 177.584 -0.232 0.000 1.157 347 A CA 1.381 53.367 52.037 -0.085 0.000 0.689 347 A CB -1.220 17.679 19.000 -0.168 0.000 0.787 347 A HN 0.446 nan 8.150 nan 0.000 0.465 348 G N -2.130 106.440 108.800 -0.383 0.000 2.848 348 G HA2 0.289 4.250 3.960 0.001 0.000 0.208 348 G HA3 0.289 4.250 3.960 0.001 0.000 0.208 348 G C 0.030 174.504 174.900 -0.709 0.000 1.152 348 G CA 0.226 44.843 45.100 -0.804 0.000 0.789 348 G HN 0.471 nan 8.290 nan 0.000 0.531 349 Y N -2.271 118.102 120.300 0.121 0.000 2.492 349 Y HA 0.466 5.016 4.550 0.001 0.000 0.346 349 Y C 0.988 176.927 175.900 0.065 0.000 0.997 349 Y CA -1.232 56.963 58.100 0.158 0.000 1.025 349 Y CB 1.811 40.409 38.460 0.229 0.000 1.263 349 Y HN -0.138 nan 8.280 nan 0.000 0.454 350 R N 1.717 122.307 120.500 0.151 0.000 2.112 350 R HA 0.324 4.665 4.340 0.001 0.000 0.216 350 R C 0.682 177.011 176.300 0.049 0.000 1.080 350 R CA 1.107 57.241 56.100 0.057 0.000 0.996 350 R CB -0.190 30.108 30.300 -0.004 0.000 0.902 350 R HN 1.060 nan 8.270 nan 0.000 0.449 351 G N -0.473 108.373 108.800 0.076 0.000 2.888 351 G HA2 0.139 4.100 3.960 0.001 0.000 0.441 351 G HA3 0.139 4.100 3.960 0.001 0.000 0.441 351 G C 0.076 174.938 174.900 -0.063 0.000 1.461 351 G CA -0.365 44.734 45.100 -0.002 0.000 0.897 351 G HN 0.951 nan 8.290 nan 0.000 0.547 352 G N -2.284 106.446 108.800 -0.116 0.000 2.555 352 G HA2 0.497 4.458 3.960 0.001 0.000 0.686 352 G HA3 0.497 4.458 3.960 0.001 0.000 0.686 352 G C 1.032 175.834 174.900 -0.163 0.000 1.275 352 G CA 0.866 45.875 45.100 -0.151 0.000 0.871 352 G HN 2.432 nan 8.290 nan 0.000 0.603 353 A N -0.322 122.394 122.820 -0.174 0.000 1.877 353 A HA 0.022 4.343 4.320 0.001 0.000 0.216 353 A C 2.139 179.616 177.584 -0.178 0.000 1.186 353 A CA 2.553 54.507 52.037 -0.138 0.000 0.620 353 A CB -0.600 18.363 19.000 -0.061 0.000 0.822 353 A HN 1.252 nan 8.150 nan 0.000 0.443 354 E N -0.107 119.863 120.200 -0.383 0.000 2.058 354 E HA -0.152 4.199 4.350 0.001 0.000 0.194 354 E C 2.119 178.602 176.600 -0.195 0.000 0.997 354 E CA 1.241 57.309 56.400 -0.554 0.000 0.801 354 E CB -0.306 28.905 29.700 -0.814 0.000 0.746 354 E HN 0.514 nan 8.360 nan 0.000 0.450 355 A N 1.003 123.740 122.820 -0.138 0.000 1.902 355 A HA -0.148 4.172 4.320 0.001 0.000 0.217 355 A C 2.238 179.854 177.584 0.054 0.000 1.181 355 A CA 1.244 53.267 52.037 -0.023 0.000 0.623 355 A CB -0.668 18.323 19.000 -0.015 0.000 0.818 355 A HN 0.342 nan 8.150 nan 0.000 0.443 356 L N -0.885 120.337 121.223 -0.002 0.000 2.056 356 L HA -0.168 4.173 4.340 0.001 0.000 0.207 356 L C 3.098 180.003 176.870 0.058 0.000 1.078 356 L CA 0.939 55.795 54.840 0.028 0.000 0.749 356 L CB -0.475 41.586 42.059 0.003 0.000 0.901 356 L HN 0.443 nan 8.230 nan 0.000 0.433 357 A N -0.740 122.083 122.820 0.005 0.000 1.940 357 A HA -0.302 4.019 4.320 0.001 0.000 0.219 357 A C 2.167 179.754 177.584 0.005 0.000 1.176 357 A CA 1.750 53.761 52.037 -0.042 0.000 0.631 357 A CB -0.857 18.074 19.000 -0.115 0.000 0.814 357 A HN 0.491 nan 8.150 nan 0.000 0.446 358 Y N 0.833 121.102 120.300 -0.053 0.000 2.163 358 Y HA -0.147 4.403 4.550 0.001 0.000 0.288 358 Y C 2.715 178.619 175.900 0.006 0.000 1.136 358 Y CA 2.309 60.392 58.100 -0.029 0.000 1.147 358 Y CB -0.598 37.844 38.460 -0.031 0.000 0.987 358 Y HN 0.293 nan 8.280 nan 0.000 0.509 359 T N 1.242 115.904 114.554 0.179 0.000 2.720 359 T HA -0.201 4.150 4.350 0.001 0.000 0.268 359 T C 1.942 176.666 174.700 0.040 0.000 1.037 359 T CA 2.065 64.251 62.100 0.144 0.000 1.144 359 T CB -0.456 68.550 68.868 0.231 0.000 0.864 359 T HN 0.338 nan 8.240 nan 0.000 0.444 360 I N 1.384 121.995 120.570 0.069 0.000 2.179 360 I HA -0.196 3.975 4.170 0.001 0.000 0.242 360 I C 2.722 178.761 176.117 -0.131 0.000 1.088 360 I CA 1.417 62.748 61.300 0.052 0.000 1.357 360 I CB -0.390 37.675 38.000 0.108 0.000 1.051 360 I HN 0.261 nan 8.210 nan 0.000 0.409 361 R N 0.784 121.178 120.500 -0.177 0.000 2.189 361 R HA -0.070 4.271 4.340 0.001 0.000 0.223 361 R C 1.709 177.820 176.300 -0.314 0.000 1.092 361 R CA 0.978 56.940 56.100 -0.231 0.000 0.989 361 R CB -0.154 30.023 30.300 -0.205 0.000 0.876 361 R HN 0.173 nan 8.270 nan 0.000 0.457 362 R N -0.130 120.133 120.500 -0.395 0.000 2.334 362 R HA 0.229 4.570 4.340 0.001 0.000 0.212 362 R C 1.338 177.384 176.300 -0.424 0.000 0.897 362 R CA 0.590 56.465 56.100 -0.376 0.000 1.056 362 R CB 0.520 30.564 30.300 -0.426 0.000 1.046 362 R HN 0.551 nan 8.270 nan 0.000 0.513 363 G N 1.003 109.492 108.800 -0.519 0.000 3.444 363 G HA2 -0.300 3.661 3.960 0.001 0.000 0.222 363 G HA3 -0.300 3.661 3.960 0.001 0.000 0.222 363 G C -0.212 174.503 174.900 -0.308 0.000 1.358 363 G CA 0.641 45.122 45.100 -1.032 0.000 0.880 363 G HN 0.370 nan 8.290 nan 0.000 0.555 364 W N -0.513 120.821 121.300 0.057 0.000 2.902 364 W HA 0.889 5.550 4.660 0.002 0.000 0.346 364 W C 0.683 177.307 176.519 0.176 0.000 1.139 364 W CA -1.022 56.449 57.345 0.210 0.000 1.139 364 W CB 0.746 30.398 29.460 0.320 0.000 1.439 364 W HN 0.267 nan 8.180 nan 0.000 0.558 365 R N -0.115 120.732 120.500 0.578 0.000 2.062 365 R HA 0.077 4.418 4.340 0.001 0.000 0.226 365 R C -0.312 176.147 176.300 0.265 0.000 1.125 365 R CA 0.715 57.060 56.100 0.409 0.000 0.966 365 R CB -0.380 30.125 30.300 0.343 0.000 0.861 365 R HN 0.544 nan 8.270 nan 0.000 0.433 366 Y N 1.396 121.878 120.300 0.304 0.000 2.452 366 Y HA 0.150 4.701 4.550 0.002 0.000 0.348 366 Y C 0.041 176.001 175.900 0.100 0.000 0.985 366 Y CA -0.061 58.118 58.100 0.132 0.000 1.214 366 Y CB 1.478 39.919 38.460 -0.032 0.000 1.136 366 Y HN 0.148 nan 8.280 nan 0.000 0.523 367 E N 2.245 122.593 120.200 0.248 0.000 2.734 367 E HA 0.274 4.625 4.350 0.001 0.000 0.211 367 E C 1.062 177.734 176.600 0.120 0.000 0.991 367 E CA 0.244 56.806 56.400 0.270 0.000 1.065 367 E CB 0.745 30.644 29.700 0.331 0.000 1.047 367 E HN 1.026 nan 8.360 nan 0.000 0.470 368 G N 1.662 110.494 108.800 0.052 0.000 2.367 368 G HA2 -0.215 3.745 3.960 0.001 0.000 0.181 368 G HA3 -0.215 3.745 3.960 0.001 0.000 0.181 368 G C 0.358 175.297 174.900 0.065 0.000 1.000 368 G CA -0.341 44.754 45.100 -0.009 0.000 0.693 368 G HN 0.207 nan 8.290 nan 0.000 0.480 369 Q N 0.555 120.431 119.800 0.127 0.000 2.443 369 Q HA 0.493 4.834 4.340 0.001 0.000 0.232 369 Q C -0.240 175.922 176.000 0.271 0.000 1.026 369 Q CA -0.629 55.278 55.803 0.173 0.000 0.924 369 Q CB 0.891 29.696 28.738 0.112 0.000 1.256 369 Q HN 0.402 nan 8.270 nan 0.000 0.519 370 F N 1.990 122.008 119.950 0.114 0.000 2.538 370 F HA 0.110 4.638 4.527 0.001 0.000 0.371 370 F C -0.307 175.620 175.800 0.212 0.000 1.087 370 F CA -0.296 57.763 58.000 0.098 0.000 1.250 370 F CB 0.426 39.456 39.000 0.051 0.000 1.110 370 F HN 0.560 nan 8.300 nan 0.000 0.570 371 W N 7.976 128.826 121.300 -0.749 0.000 2.308 371 W HA 0.510 5.171 4.660 0.001 0.000 0.311 371 W C -0.658 175.347 176.519 -0.857 0.000 1.088 371 W CA -0.716 56.184 57.345 -0.742 0.000 1.309 371 W CB 1.611 30.516 29.460 -0.926 0.000 1.229 371 W HN 0.694 nan 8.180 nan 0.000 0.427 372 A N 5.580 128.008 122.820 -0.652 0.000 2.345 372 A HA 0.186 4.506 4.320 0.001 0.000 0.225 372 A C 0.225 177.549 177.584 -0.433 0.000 1.243 372 A CA -0.090 51.728 52.037 -0.366 0.000 0.875 372 A CB -0.279 18.723 19.000 0.003 0.000 0.929 372 A HN 0.307 nan 8.150 nan 0.000 0.502 373 V N 1.889 121.309 119.914 -0.823 0.000 2.540 373 V HA -0.026 4.095 4.120 0.001 0.000 0.297 373 V C 0.606 176.526 176.094 -0.290 0.000 1.024 373 V CA 0.213 62.133 62.300 -0.633 0.000 1.105 373 V CB 0.228 31.502 31.823 -0.915 0.000 0.938 373 V HN 0.448 nan 8.190 nan 0.000 0.482 374 K N 3.873 124.166 120.400 -0.178 0.000 2.451 374 K HA 0.347 4.667 4.320 0.001 0.000 0.280 374 K C 1.266 177.833 176.600 -0.055 0.000 1.020 374 K CA 0.895 57.131 56.287 -0.086 0.000 1.008 374 K CB 0.387 32.847 32.500 -0.067 0.000 0.917 374 K HN 1.067 nan 8.250 nan 0.000 0.478 375 G N 2.671 111.458 108.800 -0.021 0.000 2.195 375 G HA2 -0.279 3.681 3.960 0.001 0.000 0.246 375 G HA3 -0.279 3.681 3.960 0.001 0.000 0.246 375 G C 0.361 175.274 174.900 0.022 0.000 0.984 375 G CA 0.186 45.283 45.100 -0.006 0.000 0.633 375 G HN 0.714 nan 8.290 nan 0.000 0.525 376 E N 0.123 120.353 120.200 0.050 0.000 2.810 376 E HA 0.201 4.552 4.350 0.001 0.000 0.214 376 E C -0.323 176.432 176.600 0.258 0.000 0.980 376 E CA -0.291 56.203 56.400 0.156 0.000 1.159 376 E CB 0.568 30.460 29.700 0.320 0.000 1.047 376 E HN 0.568 nan 8.360 nan 0.000 0.484 377 E N 2.731 122.990 120.200 0.099 0.000 2.366 377 E HA 0.036 4.387 4.350 0.001 0.000 0.266 377 E C 0.007 176.664 176.600 0.095 0.000 1.015 377 E CA 0.560 56.931 56.400 -0.048 0.000 0.906 377 E CB 0.230 29.972 29.700 0.070 0.000 0.979 377 E HN 0.240 nan 8.360 nan 0.000 0.443 378 H N 0.392 119.269 119.070 -0.321 0.000 2.904 378 H HA 0.247 4.804 4.556 0.002 0.000 0.290 378 H C -1.089 174.175 175.328 -0.106 0.000 1.437 378 H CA -1.077 54.921 56.048 -0.084 0.000 1.147 378 H CB 0.426 30.169 29.762 -0.032 0.000 1.824 378 H HN 0.411 nan 8.280 nan 0.000 0.505 379 E N 1.542 121.751 120.200 0.015 0.000 2.129 379 E HA 0.204 4.554 4.350 0.001 0.000 0.283 379 E C -0.053 176.411 176.600 -0.226 0.000 1.080 379 E CA -0.309 56.069 56.400 -0.036 0.000 0.867 379 E CB 1.436 31.195 29.700 0.098 0.000 1.056 379 E HN 0.241 nan 8.360 nan 0.000 0.404 380 R N 2.680 122.953 120.500 -0.379 0.000 2.294 380 R HA 0.471 4.812 4.340 0.001 0.000 0.319 380 R C 0.126 176.301 176.300 -0.208 0.000 0.984 380 R CA 0.319 56.155 56.100 -0.440 0.000 0.861 380 R CB 0.850 30.697 30.300 -0.755 0.000 1.104 380 R HN 0.711 nan 8.270 nan 0.000 0.451 381 G N 2.159 110.794 108.800 -0.276 0.000 2.685 381 G HA2 -0.189 3.772 3.960 0.001 0.000 0.387 381 G HA3 -0.189 3.772 3.960 0.001 0.000 0.387 381 G C -1.508 173.115 174.900 -0.462 0.000 1.324 381 G CA -0.642 44.283 45.100 -0.293 0.000 0.878 381 G HN 0.764 nan 8.290 nan 0.000 0.527 382 H N -0.544 118.567 119.070 0.069 0.000 2.980 382 H HA 0.590 5.147 4.556 0.001 0.000 0.367 382 H C -2.532 173.019 175.328 0.370 0.000 1.206 382 H CA -1.222 54.935 56.048 0.182 0.000 1.126 382 H CB 1.888 31.735 29.762 0.142 0.000 1.838 382 H HN 0.535 nan 8.280 nan 0.000 0.552 383 P HA -0.044 nan 4.420 nan 0.000 0.262 383 P C 0.340 177.844 177.300 0.340 0.000 1.182 383 P CA 0.315 63.605 63.100 0.317 0.000 0.761 383 P CB 0.576 32.394 31.700 0.197 0.000 0.795 384 S N 0.556 116.389 115.700 0.222 0.000 2.631 384 S HA -0.010 4.460 4.470 0.001 0.000 0.217 384 S C 0.914 175.497 174.600 -0.029 0.000 0.958 384 S CA 0.187 58.365 58.200 -0.037 0.000 0.920 384 S CB -0.690 62.232 63.200 -0.463 0.000 0.776 384 S HN 0.245 nan 8.310 nan 0.000 0.517 385 D N 3.124 123.538 120.400 0.023 0.000 2.149 385 D HA -0.034 4.607 4.640 0.001 0.000 0.198 385 D C 2.058 178.354 176.300 -0.006 0.000 0.990 385 D CA 1.491 55.494 54.000 0.005 0.000 0.839 385 D CB -0.404 40.408 40.800 0.022 0.000 0.948 385 D HN 0.610 nan 8.370 nan 0.000 0.460 386 A N 0.054 122.870 122.820 -0.007 0.000 2.067 386 A HA 0.020 4.341 4.320 0.001 0.000 0.219 386 A C 0.980 178.527 177.584 -0.061 0.000 1.158 386 A CA 0.427 52.450 52.037 -0.024 0.000 0.661 386 A CB -0.371 18.619 19.000 -0.018 0.000 0.801 386 A HN 0.171 nan 8.150 nan 0.000 0.452 387 L N 0.276 121.434 121.223 -0.108 0.000 2.350 387 L HA 0.413 4.754 4.340 0.001 0.000 0.275 387 L C 0.270 177.109 176.870 -0.052 0.000 1.099 387 L CA -0.570 54.143 54.840 -0.211 0.000 0.808 387 L CB 0.987 42.664 42.059 -0.637 0.000 1.149 387 L HN 0.223 nan 8.230 nan 0.000 0.442 388 E N 1.064 121.226 120.200 -0.064 0.000 2.232 388 E HA 0.441 4.792 4.350 0.001 0.000 0.265 388 E C 0.541 177.192 176.600 0.085 0.000 1.001 388 E CA 0.070 56.479 56.400 0.015 0.000 0.870 388 E CB 1.822 31.507 29.700 -0.024 0.000 1.175 388 E HN 0.541 nan 8.360 nan 0.000 0.407 389 A N 2.900 125.757 122.820 0.062 0.000 1.903 389 A HA -0.128 4.193 4.320 0.001 0.000 0.219 389 A C -0.806 176.802 177.584 0.040 0.000 1.191 389 A CA 1.962 54.026 52.037 0.044 0.000 0.638 389 A CB -1.753 17.201 19.000 -0.077 0.000 0.823 389 A HN 0.667 nan 8.150 nan 0.000 0.451 390 P HA -0.082 nan 4.420 nan 0.000 0.222 390 P C 0.840 178.124 177.300 -0.027 0.000 1.147 390 P CA 0.956 64.037 63.100 -0.032 0.000 0.790 390 P CB -0.145 31.537 31.700 -0.030 0.000 0.780 391 N N -1.011 117.635 118.700 -0.091 0.000 2.453 391 N HA -0.054 4.686 4.740 0.001 0.000 0.183 391 N C 0.078 175.417 175.510 -0.284 0.000 1.041 391 N CA 0.758 53.679 53.050 -0.215 0.000 0.900 391 N CB -0.326 37.920 38.487 -0.401 0.000 0.961 391 N HN 0.232 nan 8.380 nan 0.000 0.443 392 F N 0.536 120.414 119.950 -0.120 0.000 2.405 392 F HA 0.293 4.821 4.527 0.001 0.000 0.355 392 F C 0.362 176.084 175.800 -0.131 0.000 1.121 392 F CA -0.817 57.118 58.000 -0.107 0.000 1.112 392 F CB 1.180 39.990 39.000 -0.317 0.000 1.126 392 F HN -0.377 nan 8.300 nan 0.000 0.481 393 V N 4.856 124.882 119.914 0.187 0.000 2.383 393 V HA 0.243 4.364 4.120 0.001 0.000 0.275 393 V C -0.532 175.666 176.094 0.173 0.000 1.036 393 V CA -0.699 61.651 62.300 0.084 0.000 0.889 393 V CB 0.377 32.194 31.823 -0.010 0.000 0.985 393 V HN 0.454 nan 8.190 nan 0.000 0.459 394 Y N 3.549 123.774 120.300 -0.124 0.000 2.487 394 Y HA 0.789 5.340 4.550 0.001 0.000 0.337 394 Y C 0.398 176.229 175.900 -0.115 0.000 1.076 394 Y CA -1.646 56.363 58.100 -0.153 0.000 1.115 394 Y CB 1.939 40.108 38.460 -0.486 0.000 1.235 394 Y HN 0.904 nan 8.280 nan 0.000 0.468 395 C N 1.137 120.541 119.300 0.174 0.000 3.311 395 C HA 0.624 5.085 4.460 0.001 0.000 0.325 395 C C 0.637 175.815 174.990 0.312 0.000 1.352 395 C CA -1.062 58.044 59.018 0.146 0.000 1.308 395 C CB 0.514 28.222 27.740 -0.053 0.000 1.619 395 C HN 0.902 nan 8.230 nan 0.000 0.469 396 I N -1.965 118.760 120.570 0.258 0.000 4.018 396 I HA 0.340 4.511 4.170 0.001 0.000 0.337 396 I C -0.094 176.229 176.117 0.343 0.000 1.327 396 I CA 0.470 61.932 61.300 0.271 0.000 1.100 396 I CB -0.073 38.005 38.000 0.129 0.000 1.025 396 I HN 0.683 nan 8.210 nan 0.000 0.396 397 Q N 2.601 122.528 119.800 0.213 0.000 2.353 397 Q HA 0.429 4.770 4.340 0.001 0.000 0.275 397 Q C -1.590 174.372 176.000 -0.062 0.000 1.029 397 Q CA -0.427 55.433 55.803 0.095 0.000 0.848 397 Q CB 2.612 31.421 28.738 0.119 0.000 1.390 397 Q HN 0.569 nan 8.270 nan 0.000 0.401 398 N N -1.195 117.354 118.700 -0.251 0.000 3.277 398 N HA 0.150 4.891 4.740 0.001 0.000 0.278 398 N C 0.699 175.808 175.510 -0.668 0.000 1.544 398 N CA -0.448 52.410 53.050 -0.320 0.000 0.869 398 N CB 0.017 38.359 38.487 -0.241 0.000 1.584 398 N HN 0.586 nan 8.380 nan 0.000 0.564 399 H N -1.396 117.373 119.070 -0.500 0.000 2.352 399 H HA -0.058 4.499 4.556 0.001 0.000 0.299 399 H C -0.183 174.941 175.328 -0.341 0.000 1.097 399 H CA 1.721 57.353 56.048 -0.692 0.000 1.311 399 H CB -0.210 29.302 29.762 -0.416 0.000 1.377 399 H HN 0.542 nan 8.280 nan 0.000 0.504 400 D N 0.715 120.774 120.400 -0.568 0.000 2.137 400 D HA -0.076 4.565 4.640 0.001 0.000 0.202 400 D C 2.214 178.501 176.300 -0.022 0.000 0.970 400 D CA 0.649 54.572 54.000 -0.129 0.000 0.837 400 D CB 0.037 40.719 40.800 -0.196 0.000 0.981 400 D HN 0.376 nan 8.370 nan 0.000 0.475 401 Q N -0.067 119.640 119.800 -0.155 0.000 2.472 401 Q HA 0.091 4.432 4.340 0.001 0.000 0.208 401 Q C 2.033 178.071 176.000 0.063 0.000 0.958 401 Q CA 0.208 55.995 55.803 -0.027 0.000 0.932 401 Q CB 0.655 29.196 28.738 -0.328 0.000 1.007 401 Q HN 0.441 nan 8.270 nan 0.000 0.508 402 I N -1.200 119.348 120.570 -0.036 0.000 2.900 402 I HA 0.037 4.208 4.170 0.001 0.000 0.251 402 I C 2.069 178.284 176.117 0.163 0.000 1.102 402 I CA 0.780 62.094 61.300 0.024 0.000 1.457 402 I CB -0.323 37.600 38.000 -0.128 0.000 1.285 402 I HN 0.099 nan 8.210 nan 0.000 0.459 403 G N 1.683 110.651 108.800 0.280 0.000 2.534 403 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 403 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 403 G C 1.196 176.399 174.900 0.506 0.000 1.128 403 G CA 0.812 46.264 45.100 0.587 0.000 0.784 403 G HN 0.499 nan 8.290 nan 0.000 0.542 404 N N 0.277 119.201 118.700 0.372 0.000 2.515 404 N HA -0.014 4.727 4.740 0.001 0.000 0.185 404 N C 0.817 176.481 175.510 0.256 0.000 1.109 404 N CA -0.062 53.166 53.050 0.296 0.000 0.903 404 N CB -0.142 38.500 38.487 0.258 0.000 0.969 404 N HN 0.211 nan 8.380 nan 0.000 0.450 405 R N 0.630 121.217 120.500 0.144 0.000 2.441 405 R HA 0.214 4.555 4.340 0.001 0.000 0.284 405 R C -1.516 174.611 176.300 -0.289 0.000 1.070 405 R CA -1.684 54.409 56.100 -0.011 0.000 1.047 405 R CB 0.495 30.806 30.300 0.017 0.000 1.016 405 R HN 0.049 nan 8.270 nan 0.000 0.477 406 P HA -0.181 nan 4.420 nan 0.000 0.216 406 P C 0.690 177.738 177.300 -0.422 0.000 1.154 406 P CA 1.587 64.040 63.100 -1.078 0.000 0.865 406 P CB 0.183 31.389 31.700 -0.823 0.000 0.789 407 L N -3.037 118.050 121.223 -0.227 0.000 2.667 407 L HA 0.359 4.699 4.340 0.001 0.000 0.232 407 L C 1.205 178.061 176.870 -0.022 0.000 1.138 407 L CA 0.339 55.121 54.840 -0.097 0.000 0.921 407 L CB -0.754 41.258 42.059 -0.077 0.000 1.180 407 L HN 0.091 nan 8.230 nan 0.000 0.487 408 G N 1.729 110.529 108.800 -0.001 0.000 2.249 408 G HA2 -0.280 3.681 3.960 0.001 0.000 0.273 408 G HA3 -0.280 3.681 3.960 0.001 0.000 0.273 408 G C 0.272 175.216 174.900 0.074 0.000 1.036 408 G CA 0.574 45.727 45.100 0.090 0.000 0.824 408 G HN 0.551 nan 8.290 nan 0.000 0.504 409 E N 0.357 120.566 120.200 0.015 0.000 2.349 409 E HA 0.474 4.824 4.350 0.001 0.000 0.265 409 E C 0.533 177.118 176.600 -0.025 0.000 1.064 409 E CA -0.622 55.765 56.400 -0.022 0.000 0.886 409 E CB 0.991 30.651 29.700 -0.067 0.000 1.036 409 E HN 0.482 nan 8.360 nan 0.000 0.413 410 R N 1.006 121.455 120.500 -0.084 0.000 2.583 410 R HA 0.147 4.488 4.340 0.001 0.000 0.268 410 R C 1.285 177.528 176.300 -0.094 0.000 1.101 410 R CA -0.659 55.409 56.100 -0.052 0.000 1.180 410 R CB 0.311 30.594 30.300 -0.029 0.000 1.128 410 R HN 0.478 nan 8.270 nan 0.000 0.568 411 L N 1.606 122.897 121.223 0.114 0.000 2.012 411 L HA -0.201 4.140 4.340 0.001 0.000 0.210 411 L C 2.092 179.005 176.870 0.071 0.000 1.073 411 L CA 2.102 57.038 54.840 0.161 0.000 0.748 411 L CB -0.736 41.545 42.059 0.370 0.000 0.891 411 L HN 0.803 nan 8.230 nan 0.000 0.431 412 H N -2.695 116.288 119.070 -0.145 0.000 2.545 412 H HA -0.021 4.536 4.556 0.001 0.000 0.282 412 H C 1.828 177.071 175.328 -0.142 0.000 1.020 412 H CA 0.959 56.848 56.048 -0.266 0.000 1.243 412 H CB -0.378 28.936 29.762 -0.748 0.000 1.377 412 H HN 0.530 nan 8.280 nan 0.000 0.581 413 Q N 0.723 120.215 119.800 -0.514 0.000 2.302 413 Q HA 0.131 4.472 4.340 0.001 0.000 0.202 413 Q C 0.367 176.270 176.000 -0.161 0.000 0.936 413 Q CA 0.151 55.750 55.803 -0.340 0.000 0.886 413 Q CB 0.605 29.121 28.738 -0.370 0.000 0.986 413 Q HN 0.310 nan 8.270 nan 0.000 0.487 414 S N 1.733 117.359 115.700 -0.123 0.000 2.572 414 S HA 0.005 4.475 4.470 0.001 0.000 0.279 414 S C -0.338 174.222 174.600 -0.066 0.000 1.341 414 S CA -0.423 57.727 58.200 -0.084 0.000 1.043 414 S CB 0.391 63.546 63.200 -0.075 0.000 0.887 414 S HN 0.144 nan 8.310 nan 0.000 0.516 415 D N 1.277 121.639 120.400 -0.063 0.000 2.487 415 D HA 0.352 4.992 4.640 0.001 0.000 0.243 415 D C 1.308 177.581 176.300 -0.045 0.000 1.154 415 D CA 1.677 55.646 54.000 -0.051 0.000 0.876 415 D CB 0.305 41.076 40.800 -0.049 0.000 1.161 415 D HN 0.776 nan 8.370 nan 0.000 0.478 416 G N 1.322 110.102 108.800 -0.034 0.000 2.317 416 G HA2 -0.286 3.675 3.960 0.001 0.000 0.227 416 G HA3 -0.286 3.675 3.960 0.001 0.000 0.227 416 G C 0.399 175.293 174.900 -0.009 0.000 1.042 416 G CA 0.031 45.115 45.100 -0.026 0.000 0.623 416 G HN 0.564 nan 8.290 nan 0.000 0.509 417 V N 3.455 123.369 119.914 -0.001 0.000 2.540 417 V HA 0.433 4.553 4.120 0.001 0.000 0.297 417 V C 1.348 177.477 176.094 0.058 0.000 1.024 417 V CA 0.851 63.176 62.300 0.043 0.000 1.105 417 V CB 0.661 32.523 31.823 0.065 0.000 0.938 417 V HN 0.922 nan 8.190 nan 0.000 0.482 418 T N 2.736 117.342 114.554 0.087 0.000 2.902 418 T HA 0.492 4.843 4.350 0.001 0.000 0.280 418 T C 1.010 175.810 174.700 0.167 0.000 0.992 418 T CA -0.747 61.398 62.100 0.075 0.000 1.015 418 T CB 1.124 70.008 68.868 0.027 0.000 1.044 418 T HN 0.319 nan 8.240 nan 0.000 0.520 419 L N 0.349 121.657 121.223 0.142 0.000 2.201 419 L HA -0.053 4.288 4.340 0.001 0.000 0.212 419 L C 2.744 179.857 176.870 0.406 0.000 1.105 419 L CA 1.236 56.226 54.840 0.250 0.000 0.775 419 L CB -0.606 41.560 42.059 0.180 0.000 0.913 419 L HN 0.846 nan 8.230 nan 0.000 0.440 420 H N -0.556 118.624 119.070 0.182 0.000 2.357 420 H HA -0.146 4.411 4.556 0.001 0.000 0.301 420 H C 2.039 177.516 175.328 0.247 0.000 1.082 420 H CA 1.132 57.294 56.048 0.189 0.000 1.342 420 H CB 0.273 30.132 29.762 0.161 0.000 1.389 420 H HN 0.404 nan 8.280 nan 0.000 0.511 421 E N 0.415 120.860 120.200 0.410 0.000 2.077 421 E HA -0.220 4.131 4.350 0.001 0.000 0.193 421 E C 1.900 178.767 176.600 0.445 0.000 0.989 421 E CA 0.995 57.668 56.400 0.455 0.000 0.800 421 E CB -0.147 29.749 29.700 0.326 0.000 0.746 421 E HN 0.437 nan 8.360 nan 0.000 0.452 422 Y N 1.665 122.107 120.300 0.236 0.000 2.165 422 Y HA -0.223 4.328 4.550 0.001 0.000 0.286 422 Y C 2.152 178.119 175.900 0.112 0.000 1.155 422 Y CA 1.646 59.856 58.100 0.184 0.000 1.164 422 Y CB 0.061 38.630 38.460 0.181 0.000 0.978 422 Y HN -0.147 nan 8.280 nan 0.000 0.513 423 R N -0.723 119.881 120.500 0.174 0.000 2.092 423 R HA -0.091 4.250 4.340 0.001 0.000 0.231 423 R C 2.568 178.743 176.300 -0.208 0.000 1.119 423 R CA 0.997 57.092 56.100 -0.008 0.000 0.970 423 R CB -0.887 29.465 30.300 0.086 0.000 0.864 423 R HN 0.507 nan 8.270 nan 0.000 0.440 424 G N 0.831 109.522 108.800 -0.181 0.000 2.440 424 G HA2 -0.290 3.671 3.960 0.001 0.000 0.218 424 G HA3 -0.290 3.671 3.960 0.001 0.000 0.218 424 G C 1.542 175.698 174.900 -1.241 0.000 1.154 424 G CA 0.873 45.568 45.100 -0.675 0.000 0.767 424 G HN 0.409 nan 8.290 nan 0.000 0.552 425 A N 1.171 123.472 122.820 -0.865 0.000 1.933 425 A HA 0.248 4.569 4.320 0.001 0.000 0.218 425 A C 2.823 180.107 177.584 -0.501 0.000 1.175 425 A CA 2.253 53.835 52.037 -0.759 0.000 0.628 425 A CB -0.780 18.124 19.000 -0.159 0.000 0.814 425 A HN 0.816 nan 8.150 nan 0.000 0.444 426 A N -0.107 122.433 122.820 -0.468 0.000 1.908 426 A HA 0.125 4.446 4.320 0.001 0.000 0.218 426 A C 2.498 179.811 177.584 -0.452 0.000 1.181 426 A CA 2.158 53.904 52.037 -0.486 0.000 0.627 426 A CB -0.990 17.548 19.000 -0.770 0.000 0.818 426 A HN 1.068 nan 8.150 nan 0.000 0.445 427 A N -0.569 121.971 122.820 -0.466 0.000 1.902 427 A HA -0.000 4.320 4.320 0.001 0.000 0.217 427 A C 2.136 179.542 177.584 -0.297 0.000 1.181 427 A CA 1.706 53.524 52.037 -0.365 0.000 0.623 427 A CB -0.604 18.183 19.000 -0.356 0.000 0.818 427 A HN 0.698 nan 8.150 nan 0.000 0.443 428 L N -0.648 120.348 121.223 -0.378 0.000 1.994 428 L HA -0.123 4.218 4.340 0.001 0.000 0.208 428 L C 2.271 179.112 176.870 -0.048 0.000 1.071 428 L CA 2.215 56.953 54.840 -0.170 0.000 0.745 428 L CB -0.720 41.247 42.059 -0.153 0.000 0.892 428 L HN 0.342 nan 8.230 nan 0.000 0.431 429 L N -0.543 120.661 121.223 -0.031 0.000 2.013 429 L HA -0.207 4.134 4.340 0.001 0.000 0.212 429 L C 2.141 178.964 176.870 -0.078 0.000 1.073 429 L CA 2.006 56.845 54.840 -0.003 0.000 0.753 429 L CB -0.596 41.489 42.059 0.043 0.000 0.890 429 L HN 0.329 nan 8.230 nan 0.000 0.432 430 L N -1.105 120.042 121.223 -0.125 0.000 2.591 430 L HA 0.020 4.361 4.340 0.001 0.000 0.228 430 L C 1.706 178.515 176.870 -0.102 0.000 1.133 430 L CA 0.879 55.648 54.840 -0.118 0.000 0.880 430 L CB -0.692 41.269 42.059 -0.163 0.000 1.033 430 L HN 0.487 nan 8.230 nan 0.000 0.450 431 T N -3.779 110.716 114.554 -0.099 0.000 3.040 431 T HA 0.244 4.595 4.350 0.001 0.000 0.250 431 T C 0.694 175.355 174.700 -0.065 0.000 1.058 431 T CA -0.242 61.814 62.100 -0.074 0.000 0.988 431 T CB 0.056 68.884 68.868 -0.067 0.000 0.993 431 T HN -0.008 nan 8.240 nan 0.000 0.519 432 L N 3.027 124.202 121.223 -0.080 0.000 2.436 432 L HA 0.395 4.736 4.340 0.001 0.000 0.265 432 L C -1.578 175.213 176.870 -0.131 0.000 1.168 432 L CA -2.137 52.642 54.840 -0.102 0.000 0.815 432 L CB 0.457 42.435 42.059 -0.134 0.000 1.109 432 L HN 0.120 nan 8.230 nan 0.000 0.462 436 P HA 0.710 nan 4.420 nan 0.000 0.287 436 P C -1.094 176.242 177.300 0.060 0.000 1.270 436 P CA -0.850 62.245 63.100 -0.009 0.000 0.844 436 P CB 1.543 33.228 31.700 -0.024 0.000 1.068 437 L N 2.207 123.454 121.223 0.040 0.000 2.408 437 L HA 0.549 4.890 4.340 0.001 0.000 0.268 437 L C -1.405 175.482 176.870 0.029 0.000 0.986 437 L CA -0.880 53.991 54.840 0.052 0.000 0.820 437 L CB 1.400 43.355 42.059 -0.172 0.000 1.303 437 L HN 0.192 nan 8.230 nan 0.000 0.411 438 L N 3.650 124.903 121.223 0.050 0.000 2.334 438 L HA 0.498 4.838 4.340 0.001 0.000 0.273 438 L C -0.888 175.891 176.870 -0.152 0.000 1.013 438 L CA -0.603 54.239 54.840 0.003 0.000 0.816 438 L CB 1.873 43.967 42.059 0.059 0.000 1.278 438 L HN 0.499 nan 8.230 nan 0.000 0.431 439 F N 1.938 121.706 119.950 -0.303 0.000 2.385 439 F HA 0.269 4.797 4.527 0.002 0.000 0.336 439 F C 0.429 175.868 175.800 -0.603 0.000 1.100 439 F CA -0.681 57.075 58.000 -0.407 0.000 1.116 439 F CB 1.154 39.986 39.000 -0.280 0.000 1.166 439 F HN 0.537 nan 8.300 nan 0.000 0.511 440 Q N 3.667 122.575 119.800 -1.486 0.000 2.304 440 Q HA 0.272 4.613 4.340 0.001 0.000 0.315 440 Q C 0.845 176.424 176.000 -0.701 0.000 1.075 440 Q CA 0.626 55.816 55.803 -1.021 0.000 0.988 440 Q CB -0.025 28.361 28.738 -0.587 0.000 1.146 440 Q HN 1.165 nan 8.270 nan 0.000 0.383 441 G N 2.450 110.814 108.800 -0.727 0.000 2.234 441 G HA2 -0.452 3.509 3.960 0.001 0.000 0.260 441 G HA3 -0.452 3.509 3.960 0.001 0.000 0.260 441 G C 0.823 175.142 174.900 -0.967 0.000 0.987 441 G CA 0.613 44.860 45.100 -1.420 0.000 0.625 441 G HN 0.902 nan 8.290 nan 0.000 0.532 442 Q N 0.773 120.288 119.800 -0.476 0.000 2.291 442 Q HA -0.045 4.295 4.340 0.001 0.000 0.206 442 Q C 2.050 177.779 176.000 -0.451 0.000 0.976 442 Q CA 1.860 57.527 55.803 -0.228 0.000 0.875 442 Q CB -0.338 28.386 28.738 -0.024 0.000 0.927 442 Q HN 0.643 nan 8.270 nan 0.000 0.450 443 E N 0.865 120.684 120.200 -0.635 0.000 2.338 443 E HA -0.179 4.171 4.350 0.001 0.000 0.197 443 E C 0.749 177.207 176.600 -0.237 0.000 1.007 443 E CA 0.991 56.821 56.400 -0.950 0.000 0.849 443 E CB -0.278 29.197 29.700 -0.375 0.000 0.774 443 E HN 0.843 nan 8.360 nan 0.000 0.506 444 W N -0.244 120.994 121.300 -0.102 0.000 2.771 444 W HA 0.727 5.388 4.660 0.002 0.000 0.412 444 W C 0.183 176.767 176.519 0.108 0.000 0.965 444 W CA -0.718 56.653 57.345 0.043 0.000 2.045 444 W CB -0.114 29.371 29.460 0.041 0.000 1.176 444 W HN 0.138 nan 8.180 nan 0.000 0.634 445 A N 0.923 123.733 122.820 -0.017 0.000 2.610 445 A HA 0.084 4.404 4.320 0.001 0.000 0.299 445 A C 1.099 178.657 177.584 -0.043 0.000 1.487 445 A CA 0.749 52.544 52.037 -0.402 0.000 0.743 445 A CB -1.877 16.814 19.000 -0.515 0.000 1.070 445 A HN 1.495 nan 8.150 nan 0.000 0.439 446 A N 0.685 123.381 122.820 -0.206 0.000 2.587 446 A HA 0.445 4.765 4.320 0.001 0.000 0.233 446 A C 1.597 179.334 177.584 0.255 0.000 1.049 446 A CA 0.808 52.790 52.037 -0.092 0.000 0.754 446 A CB -0.032 18.712 19.000 -0.427 0.000 0.977 446 A HN 2.077 nan 8.150 nan 0.000 0.509 447 S N 0.939 116.791 115.700 0.254 0.000 2.527 447 S HA 0.034 4.505 4.470 0.001 0.000 0.222 447 S C 0.818 175.497 174.600 0.131 0.000 0.985 447 S CA 0.703 59.051 58.200 0.247 0.000 0.921 447 S CB -0.728 62.607 63.200 0.225 0.000 0.772 447 S HN 1.181 nan 8.310 nan 0.000 0.529 448 T N 1.313 115.932 114.554 0.108 0.000 2.909 448 T HA 0.603 4.954 4.350 0.001 0.000 0.286 448 T C -2.712 172.058 174.700 0.118 0.000 1.002 448 T CA -2.157 60.000 62.100 0.095 0.000 1.074 448 T CB 1.435 70.356 68.868 0.089 0.000 0.984 448 T HN 0.056 nan 8.240 nan 0.000 0.495 449 P HA 0.342 nan 4.420 nan 0.000 0.279 449 P C -1.188 176.284 177.300 0.286 0.000 1.282 449 P CA -0.698 62.491 63.100 0.148 0.000 0.788 449 P CB 0.525 32.285 31.700 0.101 0.000 1.139 450 F N 0.233 120.273 119.950 0.151 0.000 2.532 450 F HA 0.322 4.850 4.527 0.001 0.000 0.365 450 F C -0.004 175.983 175.800 0.312 0.000 1.112 450 F CA -0.453 57.687 58.000 0.233 0.000 1.082 450 F CB 0.950 40.043 39.000 0.155 0.000 1.319 450 F HN 0.172 nan 8.300 nan 0.000 0.457 451 Q N 3.494 123.330 119.800 0.060 0.000 2.221 451 Q HA 0.297 4.638 4.340 0.001 0.000 0.242 451 Q C -1.021 175.144 176.000 0.275 0.000 0.940 451 Q CA -1.046 54.877 55.803 0.199 0.000 0.896 451 Q CB 1.940 30.788 28.738 0.182 0.000 1.226 451 Q HN 0.613 nan 8.270 nan 0.000 0.463 452 F N 3.052 123.048 119.950 0.076 0.000 2.506 452 F HA 0.278 4.806 4.527 0.002 0.000 0.371 452 F C -1.045 174.610 175.800 -0.242 0.000 1.078 452 F CA -0.574 57.174 58.000 -0.420 0.000 1.195 452 F CB 0.032 38.690 39.000 -0.570 0.000 1.099 452 F HN 0.358 nan 8.300 nan 0.000 0.548 453 F N 3.058 122.343 119.950 -1.109 0.000 2.588 453 F HA 0.846 5.374 4.527 0.002 0.000 0.314 453 F C -0.916 174.312 175.800 -0.953 0.000 1.069 453 F CA -0.943 56.624 58.000 -0.721 0.000 0.931 453 F CB 1.223 40.114 39.000 -0.181 0.000 1.260 453 F HN 0.434 nan 8.300 nan 0.000 0.465 454 S N -0.027 115.464 115.700 -0.350 0.000 2.656 454 S HA 0.623 5.094 4.470 0.001 0.000 0.273 454 S C -1.697 172.839 174.600 -0.107 0.000 1.168 454 S CA -0.637 57.395 58.200 -0.280 0.000 0.817 454 S CB 1.974 65.036 63.200 -0.230 0.000 1.146 454 S HN 0.846 nan 8.310 nan 0.000 0.475 455 D N -0.223 120.082 120.400 -0.158 0.000 3.100 455 D HA 0.243 4.884 4.640 0.001 0.000 0.350 455 D C -0.834 175.398 176.300 -0.112 0.000 1.310 455 D CA -0.180 53.769 54.000 -0.084 0.000 0.741 455 D CB -0.098 40.669 40.800 -0.055 0.000 1.248 455 D HN 0.551 nan 8.370 nan 0.000 0.527 456 H N 0.169 119.264 119.070 0.041 0.000 2.607 456 H HA 0.572 5.129 4.556 0.002 0.000 0.367 456 H C 0.390 175.742 175.328 0.040 0.000 1.181 456 H CA 0.014 56.085 56.048 0.039 0.000 1.402 456 H CB 1.328 31.098 29.762 0.012 0.000 1.474 456 H HN 0.308 nan 8.280 nan 0.000 0.596 457 A N 1.226 124.166 122.820 0.200 0.000 2.302 457 A HA 0.508 4.829 4.320 0.001 0.000 0.285 457 A C 1.102 178.736 177.584 0.084 0.000 1.105 457 A CA 0.321 52.425 52.037 0.113 0.000 0.816 457 A CB -0.013 19.046 19.000 0.097 0.000 1.067 457 A HN 0.920 nan 8.150 nan 0.000 0.489 458 G N 0.883 109.716 108.800 0.055 0.000 2.614 458 G HA2 -0.346 3.615 3.960 0.001 0.000 0.303 458 G HA3 -0.346 3.615 3.960 0.001 0.000 0.303 458 G C 0.747 175.669 174.900 0.036 0.000 1.270 458 G CA 0.991 46.112 45.100 0.035 0.000 0.988 458 G HN 0.849 nan 8.290 nan 0.000 0.551 459 E N -0.367 119.846 120.200 0.022 0.000 2.106 459 E HA -0.031 4.319 4.350 0.001 0.000 0.192 459 E C 2.625 179.242 176.600 0.028 0.000 0.984 459 E CA 1.100 57.513 56.400 0.021 0.000 0.806 459 E CB -0.121 29.584 29.700 0.009 0.000 0.750 459 E HN 0.372 nan 8.360 nan 0.000 0.458 460 L N 0.640 121.874 121.223 0.018 0.000 2.042 460 L HA -0.099 4.242 4.340 0.001 0.000 0.210 460 L C 2.141 179.047 176.870 0.059 0.000 1.076 460 L CA 2.274 57.116 54.840 0.004 0.000 0.749 460 L CB -0.921 41.088 42.059 -0.084 0.000 0.893 460 L HN 0.109 nan 8.230 nan 0.000 0.432 461 G N -1.551 107.310 108.800 0.102 0.000 2.418 461 G HA2 -0.275 3.686 3.960 0.001 0.000 0.217 461 G HA3 -0.275 3.686 3.960 0.001 0.000 0.217 461 G C 1.448 176.410 174.900 0.102 0.000 1.158 461 G CA 0.763 45.945 45.100 0.136 0.000 0.771 461 G HN 0.560 nan 8.290 nan 0.000 0.545 462 Q N 0.207 120.051 119.800 0.073 0.000 2.124 462 Q HA 0.011 4.352 4.340 0.001 0.000 0.202 462 Q C 2.987 179.024 176.000 0.062 0.000 0.977 462 Q CA 1.173 57.012 55.803 0.060 0.000 0.850 462 Q CB -0.260 28.504 28.738 0.043 0.000 0.901 462 Q HN 0.484 nan 8.270 nan 0.000 0.429 463 A N 0.384 123.241 122.820 0.062 0.000 1.902 463 A HA -0.138 4.183 4.320 0.001 0.000 0.217 463 A C 2.336 179.971 177.584 0.085 0.000 1.181 463 A CA 1.289 53.363 52.037 0.061 0.000 0.623 463 A CB -0.658 18.377 19.000 0.059 0.000 0.818 463 A HN 0.207 nan 8.150 nan 0.000 0.443 464 V N -0.061 119.929 119.914 0.126 0.000 2.295 464 V HA -0.238 3.883 4.120 0.001 0.000 0.246 464 V C 2.801 178.977 176.094 0.138 0.000 1.049 464 V CA 2.391 64.793 62.300 0.171 0.000 1.024 464 V CB -0.927 31.046 31.823 0.250 0.000 0.648 464 V HN 0.564 nan 8.190 nan 0.000 0.447 465 S N -0.493 115.278 115.700 0.118 0.000 2.370 465 S HA -0.254 4.217 4.470 0.001 0.000 0.226 465 S C 2.030 176.678 174.600 0.080 0.000 1.033 465 S CA 1.792 60.053 58.200 0.102 0.000 1.011 465 S CB -0.309 62.941 63.200 0.084 0.000 0.852 465 S HN 0.655 nan 8.310 nan 0.000 0.457 466 E N 1.179 121.416 120.200 0.061 0.000 2.072 466 E HA -0.034 4.317 4.350 0.001 0.000 0.191 466 E C 2.095 178.709 176.600 0.024 0.000 0.985 466 E CA 1.265 57.688 56.400 0.039 0.000 0.801 466 E CB -0.837 28.880 29.700 0.027 0.000 0.750 466 E HN 0.423 nan 8.360 nan 0.000 0.452 467 G N 0.036 108.848 108.800 0.020 0.000 2.422 467 G HA2 -0.315 3.645 3.960 0.001 0.000 0.218 467 G HA3 -0.315 3.645 3.960 0.001 0.000 0.218 467 G C 1.808 176.687 174.900 -0.034 0.000 1.146 467 G CA 0.898 45.984 45.100 -0.024 0.000 0.769 467 G HN 0.179 nan 8.290 nan 0.000 0.547 468 R N 0.608 121.128 120.500 0.034 0.000 2.073 468 R HA 0.097 4.438 4.340 0.001 0.000 0.229 468 R C 2.402 178.784 176.300 0.137 0.000 1.120 468 R CA 1.642 57.799 56.100 0.094 0.000 0.967 468 R CB -0.416 29.996 30.300 0.186 0.000 0.862 468 R HN 0.363 nan 8.270 nan 0.000 0.436 469 K N 0.355 120.816 120.400 0.103 0.000 2.032 469 K HA -0.163 4.158 4.320 0.001 0.000 0.209 469 K C 1.694 178.330 176.600 0.060 0.000 1.048 469 K CA 1.817 58.163 56.287 0.098 0.000 0.927 469 K CB 0.013 32.553 32.500 0.066 0.000 0.712 469 K HN 0.080 nan 8.250 nan 0.000 0.441 470 K N 0.400 120.802 120.400 0.003 0.000 2.057 470 K HA -0.183 4.138 4.320 0.001 0.000 0.206 470 K C 2.143 178.684 176.600 -0.098 0.000 1.050 470 K CA 1.535 57.800 56.287 -0.037 0.000 0.935 470 K CB -0.071 32.399 32.500 -0.050 0.000 0.715 470 K HN 0.336 nan 8.250 nan 0.000 0.439 471 E N 0.278 120.364 120.200 -0.190 0.000 2.118 471 E HA -0.150 4.201 4.350 0.001 0.000 0.195 471 E C -0.017 176.275 176.600 -0.514 0.000 0.992 471 E CA 0.966 57.111 56.400 -0.425 0.000 0.804 471 E CB 0.109 29.418 29.700 -0.652 0.000 0.741 471 E HN 0.079 nan 8.360 nan 0.000 0.458 483 V N 3.265 123.188 119.914 0.015 0.000 2.521 483 V HA 0.270 4.390 4.120 0.001 0.000 0.286 483 V C -1.575 174.541 176.094 0.037 0.000 1.034 483 V CA -0.827 61.476 62.300 0.006 0.000 1.045 483 V CB 0.427 32.281 31.823 0.051 0.000 0.974 483 V HN 0.419 nan 8.190 nan 0.000 0.480 484 P HA 0.046 nan 4.420 nan 0.000 0.267 484 P C -0.534 176.817 177.300 0.085 0.000 1.205 484 P CA -0.195 62.940 63.100 0.058 0.000 0.765 484 P CB 0.542 32.280 31.700 0.062 0.000 0.828 485 D N 5.201 125.650 120.400 0.081 0.000 2.382 485 D HA 0.022 4.663 4.640 0.001 0.000 0.259 485 D C -1.230 175.129 176.300 0.099 0.000 1.224 485 D CA -2.066 51.989 54.000 0.092 0.000 0.894 485 D CB 0.695 41.540 40.800 0.075 0.000 1.127 485 D HN 0.170 nan 8.370 nan 0.000 0.487 486 P HA -0.149 nan 4.420 nan 0.000 0.219 486 P C 0.930 178.251 177.300 0.036 0.000 1.146 486 P CA 0.997 64.134 63.100 0.061 0.000 0.808 486 P CB 0.346 32.107 31.700 0.102 0.000 0.779 487 Q N -0.788 119.050 119.800 0.064 0.000 2.432 487 Q HA 0.149 4.490 4.340 0.001 0.000 0.205 487 Q C 0.945 176.980 176.000 0.059 0.000 0.945 487 Q CA 0.162 55.999 55.803 0.056 0.000 0.924 487 Q CB -0.085 28.695 28.738 0.070 0.000 1.016 487 Q HN 0.166 nan 8.270 nan 0.000 0.503 488 A N 1.058 123.920 122.820 0.070 0.000 2.401 488 A HA 0.074 4.395 4.320 0.001 0.000 0.259 488 A C 0.904 178.539 177.584 0.085 0.000 1.103 488 A CA -0.223 51.856 52.037 0.070 0.000 0.789 488 A CB 0.447 19.487 19.000 0.066 0.000 1.035 488 A HN 0.182 nan 8.150 nan 0.000 0.491 489 E N 0.821 121.070 120.200 0.083 0.000 2.097 489 E HA -0.297 4.054 4.350 0.001 0.000 0.196 489 E C 1.762 178.436 176.600 0.123 0.000 1.000 489 E CA 1.862 58.334 56.400 0.119 0.000 0.804 489 E CB 0.016 29.778 29.700 0.102 0.000 0.740 489 E HN 0.828 nan 8.360 nan 0.000 0.454 490 Q N 0.191 120.038 119.800 0.079 0.000 2.181 490 Q HA -0.138 4.203 4.340 0.001 0.000 0.205 490 Q C 1.928 177.957 176.000 0.049 0.000 0.980 490 Q CA 1.897 57.731 55.803 0.052 0.000 0.862 490 Q CB -0.283 28.481 28.738 0.043 0.000 0.905 490 Q HN 0.171 nan 8.270 nan 0.000 0.429 491 T N 0.075 114.678 114.554 0.082 0.000 2.821 491 T HA -0.099 4.252 4.350 0.001 0.000 0.267 491 T C 1.210 175.956 174.700 0.076 0.000 1.046 491 T CA 1.116 63.278 62.100 0.103 0.000 1.139 491 T CB -0.436 68.517 68.868 0.142 0.000 0.871 491 T HN 0.373 nan 8.240 nan 0.000 0.454 492 F N 2.033 121.859 119.950 -0.207 0.000 2.084 492 F HA 0.043 4.570 4.527 0.001 0.000 0.296 492 F C 1.874 177.481 175.800 -0.322 0.000 1.111 492 F CA 1.007 58.640 58.000 -0.611 0.000 1.224 492 F CB -0.725 37.953 39.000 -0.536 0.000 0.991 492 F HN 0.031 nan 8.300 nan 0.000 0.471 493 L N 0.274 121.314 121.223 -0.305 0.000 2.083 493 L HA -0.261 4.080 4.340 0.001 0.000 0.209 493 L C 2.270 179.022 176.870 -0.196 0.000 1.083 493 L CA 1.185 55.824 54.840 -0.335 0.000 0.752 493 L CB -1.022 40.957 42.059 -0.134 0.000 0.899 493 L HN 0.175 nan 8.230 nan 0.000 0.433 494 N N -0.012 118.631 118.700 -0.094 0.000 2.091 494 N HA -0.182 4.559 4.740 0.001 0.000 0.193 494 N C 1.837 177.342 175.510 -0.008 0.000 1.021 494 N CA 1.790 54.826 53.050 -0.024 0.000 0.862 494 N CB -0.302 38.197 38.487 0.021 0.000 1.018 494 N HN 0.198 nan 8.380 nan 0.000 0.429 495 S N 0.195 115.874 115.700 -0.035 0.000 2.603 495 S HA 0.074 4.545 4.470 0.001 0.000 0.220 495 S C 0.424 175.086 174.600 0.102 0.000 0.967 495 S CA 0.091 58.344 58.200 0.088 0.000 0.920 495 S CB 0.313 63.588 63.200 0.124 0.000 0.773 495 S HN 0.177 nan 8.310 nan 0.000 0.529 496 K N 2.100 122.465 120.400 -0.058 0.000 2.401 496 K HA 0.155 4.475 4.320 0.001 0.000 0.278 496 K C 0.026 176.650 176.600 0.040 0.000 1.018 496 K CA 0.020 56.291 56.287 -0.026 0.000 0.981 496 K CB 0.421 32.852 32.500 -0.115 0.000 0.933 496 K HN 0.284 nan 8.250 nan 0.000 0.477 497 L N 2.676 123.932 121.223 0.055 0.000 2.490 497 L HA -0.027 4.314 4.340 0.001 0.000 0.274 497 L C 1.012 177.835 176.870 -0.078 0.000 1.201 497 L CA 0.004 54.804 54.840 -0.067 0.000 0.869 497 L CB -0.009 41.868 42.059 -0.302 0.000 1.123 497 L HN 0.502 nan 8.230 nan 0.000 0.484 498 N N 2.271 120.938 118.700 -0.055 0.000 2.527 498 N HA 0.062 4.803 4.740 0.001 0.000 0.236 498 N C 0.308 175.698 175.510 -0.200 0.000 0.999 498 N CA -0.287 52.730 53.050 -0.056 0.000 0.935 498 N CB 0.633 39.105 38.487 -0.026 0.000 1.132 498 N HN 0.490 nan 8.380 nan 0.000 0.511 499 W N 2.834 124.027 121.300 -0.178 0.000 2.402 499 W HA 0.006 4.667 4.660 0.001 0.000 0.286 499 W C 2.144 178.348 176.519 -0.525 0.000 1.221 499 W CA 1.063 58.157 57.345 -0.418 0.000 1.257 499 W CB 0.053 29.310 29.460 -0.337 0.000 1.120 499 W HN 0.719 nan 8.180 nan 0.000 0.551 500 A N 0.777 123.517 122.820 -0.134 0.000 2.014 500 A HA -0.208 4.113 4.320 0.001 0.000 0.218 500 A C 1.865 179.307 177.584 -0.237 0.000 1.163 500 A CA 1.675 53.619 52.037 -0.155 0.000 0.652 500 A CB -0.892 18.061 19.000 -0.078 0.000 0.808 500 A HN 0.526 nan 8.150 nan 0.000 0.449 501 E N 0.902 120.912 120.200 -0.317 0.000 2.268 501 E HA -0.259 4.092 4.350 0.001 0.000 0.195 501 E C 1.870 178.226 176.600 -0.406 0.000 0.995 501 E CA 1.037 57.247 56.400 -0.317 0.000 0.836 501 E CB -0.503 28.957 29.700 -0.401 0.000 0.763 501 E HN 0.769 nan 8.360 nan 0.000 0.491 502 R N 1.179 121.237 120.500 -0.738 0.000 2.293 502 R HA -0.084 4.257 4.340 0.001 0.000 0.219 502 R C 1.321 177.495 176.300 -0.211 0.000 1.091 502 R CA 1.396 57.093 56.100 -0.672 0.000 1.004 502 R CB -0.225 29.336 30.300 -1.233 0.000 0.865 502 R HN 0.255 nan 8.270 nan 0.000 0.469 503 E N 0.727 120.822 120.200 -0.174 0.000 2.427 503 E HA 0.056 4.406 4.350 0.001 0.000 0.196 503 E C 0.500 177.101 176.600 0.002 0.000 1.028 503 E CA 0.604 56.965 56.400 -0.064 0.000 0.864 503 E CB 0.448 30.107 29.700 -0.069 0.000 0.813 503 E HN 0.542 nan 8.360 nan 0.000 0.514 504 G N -0.698 108.124 108.800 0.037 0.000 2.642 504 G HA2 0.509 4.470 3.960 0.001 0.000 0.293 504 G HA3 0.509 4.470 3.960 0.001 0.000 0.293 504 G C 0.149 175.116 174.900 0.111 0.000 1.341 504 G CA -0.278 44.864 45.100 0.070 0.000 0.916 504 G HN 0.175 nan 8.290 nan 0.000 0.474 505 G N 0.228 109.073 108.800 0.075 0.000 2.582 505 G HA2 -0.268 3.693 3.960 0.001 0.000 0.288 505 G HA3 -0.268 3.693 3.960 0.001 0.000 0.288 505 G C 0.919 175.844 174.900 0.043 0.000 1.247 505 G CA 0.661 45.791 45.100 0.051 0.000 0.972 505 G HN 0.695 nan 8.290 nan 0.000 0.557 506 E N 0.366 120.548 120.200 -0.030 0.000 2.274 506 E HA -0.059 4.292 4.350 0.001 0.000 0.194 506 E C 2.103 178.708 176.600 0.008 0.000 0.996 506 E CA 1.225 57.609 56.400 -0.026 0.000 0.840 506 E CB -0.293 29.358 29.700 -0.080 0.000 0.772 506 E HN 0.647 nan 8.360 nan 0.000 0.491 507 H N 0.536 119.680 119.070 0.124 0.000 2.321 507 H HA -0.009 4.548 4.556 0.001 0.000 0.300 507 H C 2.052 177.481 175.328 0.169 0.000 1.087 507 H CA 1.446 57.602 56.048 0.179 0.000 1.319 507 H CB -0.292 29.566 29.762 0.161 0.000 1.379 507 H HN 0.175 nan 8.280 nan 0.000 0.501 508 A N 1.196 124.152 122.820 0.228 0.000 1.933 508 A HA -0.178 4.143 4.320 0.001 0.000 0.218 508 A C 2.520 180.202 177.584 0.164 0.000 1.175 508 A CA 1.450 53.584 52.037 0.162 0.000 0.628 508 A CB -0.492 18.571 19.000 0.105 0.000 0.814 508 A HN 0.267 nan 8.150 nan 0.000 0.444 509 R N -1.016 119.572 120.500 0.146 0.000 2.092 509 R HA -0.097 4.244 4.340 0.001 0.000 0.231 509 R C 2.178 178.586 176.300 0.179 0.000 1.119 509 R CA 1.845 58.027 56.100 0.136 0.000 0.970 509 R CB -0.406 29.962 30.300 0.112 0.000 0.864 509 R HN 0.549 nan 8.270 nan 0.000 0.440 510 T N 1.442 116.130 114.554 0.223 0.000 2.777 510 T HA -0.138 4.213 4.350 0.001 0.000 0.266 510 T C 1.593 176.512 174.700 0.366 0.000 1.040 510 T CA 0.985 63.268 62.100 0.305 0.000 1.141 510 T CB -0.197 68.866 68.868 0.326 0.000 0.868 510 T HN 0.100 nan 8.240 nan 0.000 0.444 511 L N 1.636 123.054 121.223 0.325 0.000 2.042 511 L HA 0.008 4.349 4.340 0.001 0.000 0.210 511 L C 2.485 179.520 176.870 0.274 0.000 1.076 511 L CA 1.744 56.781 54.840 0.327 0.000 0.749 511 L CB -0.651 41.604 42.059 0.326 0.000 0.893 511 L HN 0.092 nan 8.230 nan 0.000 0.432 512 R N -0.946 119.679 120.500 0.208 0.000 2.091 512 R HA -0.206 4.135 4.340 0.001 0.000 0.238 512 R C 2.293 178.678 176.300 0.142 0.000 1.136 512 R CA 1.937 58.128 56.100 0.152 0.000 0.959 512 R CB -0.492 29.878 30.300 0.116 0.000 0.856 512 R HN 0.418 nan 8.270 nan 0.000 0.437 513 L N 0.098 121.415 121.223 0.158 0.000 2.046 513 L HA -0.164 4.176 4.340 0.001 0.000 0.208 513 L C 1.760 178.670 176.870 0.068 0.000 1.077 513 L CA 1.750 56.645 54.840 0.092 0.000 0.747 513 L CB -0.707 41.396 42.059 0.073 0.000 0.896 513 L HN 0.179 nan 8.230 nan 0.000 0.432 514 Y N 0.059 120.392 120.300 0.056 0.000 2.181 514 Y HA -0.215 4.336 4.550 0.001 0.000 0.288 514 Y C 2.757 178.681 175.900 0.039 0.000 1.146 514 Y CA 1.818 59.946 58.100 0.047 0.000 1.164 514 Y CB -0.300 38.215 38.460 0.092 0.000 0.982 514 Y HN 0.154 nan 8.280 nan 0.000 0.515 515 R N -0.117 120.503 120.500 0.201 0.000 2.091 515 R HA -0.181 4.160 4.340 0.001 0.000 0.238 515 R C 1.652 177.987 176.300 0.057 0.000 1.136 515 R CA 1.688 57.852 56.100 0.107 0.000 0.959 515 R CB -0.415 29.942 30.300 0.095 0.000 0.856 515 R HN 0.355 nan 8.270 nan 0.000 0.437 516 D N 0.680 121.108 120.400 0.046 0.000 2.117 516 D HA -0.107 4.534 4.640 0.001 0.000 0.198 516 D C 2.026 178.317 176.300 -0.015 0.000 0.982 516 D CA 0.965 54.974 54.000 0.015 0.000 0.828 516 D CB -0.157 40.651 40.800 0.013 0.000 0.967 516 D HN 0.152 nan 8.370 nan 0.000 0.464 517 L N 0.150 121.344 121.223 -0.050 0.000 2.046 517 L HA -0.121 4.220 4.340 0.001 0.000 0.208 517 L C 2.477 179.314 176.870 -0.054 0.000 1.077 517 L CA 0.670 55.455 54.840 -0.092 0.000 0.747 517 L CB -0.275 41.664 42.059 -0.201 0.000 0.896 517 L HN 0.027 nan 8.230 nan 0.000 0.432 518 L N -0.736 120.475 121.223 -0.019 0.000 2.141 518 L HA -0.170 4.170 4.340 0.001 0.000 0.209 518 L C 2.767 179.641 176.870 0.006 0.000 1.094 518 L CA 0.927 55.769 54.840 0.003 0.000 0.763 518 L CB -0.455 41.627 42.059 0.039 0.000 0.908 518 L HN 0.237 nan 8.230 nan 0.000 0.437 519 R N 0.648 121.153 120.500 0.008 0.000 2.066 519 R HA -0.142 4.199 4.340 0.001 0.000 0.232 519 R C 2.344 178.649 176.300 0.008 0.000 1.131 519 R CA 1.275 57.381 56.100 0.011 0.000 0.955 519 R CB -0.216 30.092 30.300 0.013 0.000 0.851 519 R HN 0.267 nan 8.270 nan 0.000 0.432 520 L N 0.524 121.742 121.223 -0.007 0.000 2.012 520 L HA -0.202 4.139 4.340 0.001 0.000 0.210 520 L C 2.936 179.801 176.870 -0.008 0.000 1.073 520 L CA 1.675 56.505 54.840 -0.017 0.000 0.748 520 L CB -0.442 41.597 42.059 -0.034 0.000 0.891 520 L HN 0.296 nan 8.230 nan 0.000 0.431 521 R N 0.070 120.567 120.500 -0.006 0.000 2.091 521 R HA -0.241 4.100 4.340 0.001 0.000 0.238 521 R C 2.469 178.816 176.300 0.078 0.000 1.136 521 R CA 1.897 58.005 56.100 0.014 0.000 0.959 521 R CB -0.180 30.114 30.300 -0.011 0.000 0.856 521 R HN 0.248 nan 8.270 nan 0.000 0.437 522 R N 0.205 120.744 120.500 0.065 0.000 2.073 522 R HA -0.099 4.242 4.340 0.001 0.000 0.229 522 R C 1.494 177.922 176.300 0.214 0.000 1.120 522 R CA 1.825 57.981 56.100 0.093 0.000 0.967 522 R CB 0.074 30.400 30.300 0.044 0.000 0.862 522 R HN 0.349 nan 8.270 nan 0.000 0.436 523 E N -0.100 120.174 120.200 0.123 0.000 2.251 523 E HA -0.036 4.315 4.350 0.001 0.000 0.194 523 E C -0.165 176.405 176.600 -0.049 0.000 0.964 523 E CA -0.111 56.342 56.400 0.089 0.000 0.868 523 E CB 0.204 29.922 29.700 0.030 0.000 0.828 523 E HN 0.271 nan 8.360 nan 0.000 0.481 524 D N 1.926 122.248 120.400 -0.131 0.000 2.343 524 D HA -0.003 4.637 4.640 0.001 0.000 0.255 524 D C -1.574 174.376 176.300 -0.585 0.000 1.187 524 D CA -1.790 52.065 54.000 -0.241 0.000 0.875 524 D CB 1.428 42.143 40.800 -0.142 0.000 1.136 524 D HN -0.074 nan 8.370 nan 0.000 0.469 525 P HA -0.103 nan 4.420 nan 0.000 0.223 525 P C 1.501 178.581 177.300 -0.368 0.000 1.151 525 P CA 0.354 63.085 63.100 -0.615 0.000 0.787 525 P CB 0.534 32.090 31.700 -0.240 0.000 0.788 526 V N 0.271 120.044 119.914 -0.235 0.000 2.488 526 V HA -0.117 4.004 4.120 0.001 0.000 0.246 526 V C 2.637 178.672 176.094 -0.098 0.000 1.046 526 V CA 1.182 63.405 62.300 -0.128 0.000 1.053 526 V CB -1.080 30.685 31.823 -0.096 0.000 0.679 526 V HN 0.004 nan 8.190 nan 0.000 0.458 527 L N -0.453 120.698 121.223 -0.120 0.000 2.456 527 L HA -0.134 4.206 4.340 0.001 0.000 0.224 527 L C 2.277 179.173 176.870 0.044 0.000 1.148 527 L CA 1.169 55.980 54.840 -0.047 0.000 0.825 527 L CB -0.863 41.169 42.059 -0.044 0.000 0.937 527 L HN 0.496 nan 8.230 nan 0.000 0.450 528 H N -0.724 118.320 119.070 -0.044 0.000 2.518 528 H HA -0.103 4.454 4.556 0.001 0.000 0.289 528 H C 1.055 176.353 175.328 -0.049 0.000 1.051 528 H CA -0.305 55.716 56.048 -0.045 0.000 1.280 528 H CB -0.052 29.687 29.762 -0.038 0.000 1.380 528 H HN 0.322 nan 8.280 nan 0.000 0.566 529 N N 1.327 120.067 118.700 0.066 0.000 2.225 529 N HA -0.142 4.599 4.740 0.001 0.000 0.257 529 N C 0.302 175.806 175.510 -0.010 0.000 1.252 529 N CA 0.451 53.508 53.050 0.012 0.000 0.833 529 N CB 0.515 38.992 38.487 -0.017 0.000 1.068 529 N HN 0.120 nan 8.380 nan 0.000 0.468 530 R N 1.896 122.383 120.500 -0.022 0.000 2.592 530 R HA 0.160 4.500 4.340 0.001 0.000 0.439 530 R C -0.619 175.657 176.300 -0.039 0.000 0.995 530 R CA -0.151 55.925 56.100 -0.039 0.000 1.141 530 R CB 0.142 30.417 30.300 -0.040 0.000 1.495 530 R HN 0.692 nan 8.270 nan 0.000 0.579 531 Q N 0.035 119.812 119.800 -0.037 0.000 2.331 531 Q HA 0.407 4.748 4.340 0.001 0.000 0.267 531 Q C 0.636 176.609 176.000 -0.045 0.000 1.006 531 Q CA -0.435 55.346 55.803 -0.036 0.000 0.818 531 Q CB 2.456 31.177 28.738 -0.029 0.000 1.276 531 Q HN -0.096 nan 8.270 nan 0.000 0.450 532 R N 1.302 121.773 120.500 -0.048 0.000 2.152 532 R HA -0.188 4.152 4.340 0.001 0.000 0.232 532 R C 1.667 177.937 176.300 -0.051 0.000 1.117 532 R CA 1.162 57.223 56.100 -0.065 0.000 0.981 532 R CB 0.170 30.427 30.300 -0.073 0.000 0.870 532 R HN 0.722 nan 8.270 nan 0.000 0.451 533 E N 0.919 121.097 120.200 -0.037 0.000 2.219 533 E HA -0.199 4.151 4.350 0.001 0.000 0.198 533 E C 0.748 177.331 176.600 -0.028 0.000 0.998 533 E CA 1.157 57.540 56.400 -0.028 0.000 0.818 533 E CB 0.120 29.807 29.700 -0.023 0.000 0.741 533 E HN 0.266 nan 8.360 nan 0.000 0.477 534 N N 0.078 118.758 118.700 -0.033 0.000 2.280 534 N HA 0.082 4.823 4.740 0.001 0.000 0.192 534 N C -0.686 174.804 175.510 -0.034 0.000 1.109 534 N CA 0.046 53.075 53.050 -0.034 0.000 0.855 534 N CB 0.597 39.062 38.487 -0.035 0.000 0.974 534 N HN 0.116 nan 8.380 nan 0.000 0.482 535 L N 1.087 122.291 121.223 -0.032 0.000 2.333 535 L HA 0.475 4.816 4.340 0.001 0.000 0.280 535 L C -0.177 176.691 176.870 -0.003 0.000 1.004 535 L CA -0.261 54.564 54.840 -0.024 0.000 0.820 535 L CB 1.463 43.490 42.059 -0.054 0.000 1.247 535 L HN 0.025 nan 8.230 nan 0.000 0.416 536 T N 0.304 114.891 114.554 0.056 0.000 2.916 536 T HA 0.919 5.270 4.350 0.001 0.000 0.292 536 T C -0.264 174.474 174.700 0.064 0.000 1.055 536 T CA -0.264 61.895 62.100 0.098 0.000 1.009 536 T CB 1.830 70.836 68.868 0.230 0.000 1.118 536 T HN 0.736 nan 8.240 nan 0.000 0.497 537 T N -2.019 112.401 114.554 -0.223 0.000 2.864 537 T HA 0.912 5.262 4.350 0.001 0.000 0.299 537 T C -0.058 173.865 174.700 -1.294 0.000 1.166 537 T CA -0.340 61.348 62.100 -0.686 0.000 1.007 537 T CB 1.649 70.321 68.868 -0.326 0.000 1.219 537 T HN 1.495 nan 8.240 nan 0.000 0.506 538 G N 0.279 107.951 108.800 -1.881 0.000 2.490 538 G HA2 0.680 4.641 3.960 0.001 0.000 0.308 538 G HA3 0.680 4.641 3.960 0.001 0.000 0.308 538 G C -1.688 172.723 174.900 -0.815 0.000 1.286 538 G CA -0.474 43.892 45.100 -1.223 0.000 0.825 538 G HN 1.505 nan 8.290 nan 0.000 0.479 539 H N -1.779 117.124 119.070 -0.277 0.000 3.037 539 H HA 0.741 5.297 4.556 0.002 0.000 0.355 539 H C -2.134 173.292 175.328 0.163 0.000 1.263 539 H CA -0.840 55.187 56.048 -0.036 0.000 1.129 539 H CB 2.736 32.463 29.762 -0.058 0.000 1.861 539 H HN 0.505 nan 8.280 nan 0.000 0.546 540 D N 1.633 122.089 120.400 0.093 0.000 2.473 540 D HA 0.394 5.034 4.640 0.001 0.000 0.253 540 D C 1.102 177.463 176.300 0.102 0.000 1.233 540 D CA 0.920 54.927 54.000 0.012 0.000 0.908 540 D CB 0.915 41.745 40.800 0.050 0.000 1.170 540 D HN 1.125 nan 8.370 nan 0.000 0.558 541 G N 4.580 113.468 108.800 0.146 0.000 2.629 541 G HA2 -0.333 3.627 3.960 0.001 0.000 0.313 541 G HA3 -0.333 3.627 3.960 0.001 0.000 0.313 541 G C 0.572 175.552 174.900 0.134 0.000 1.217 541 G CA 0.512 45.692 45.100 0.134 0.000 0.994 541 G HN 0.566 nan 8.290 nan 0.000 0.549 542 D N 0.672 121.103 120.400 0.051 0.000 2.328 542 D HA 0.296 4.937 4.640 0.001 0.000 0.221 542 D C 0.669 176.960 176.300 -0.015 0.000 1.072 542 D CA 0.336 54.329 54.000 -0.010 0.000 0.850 542 D CB 0.545 41.315 40.800 -0.051 0.000 0.922 542 D HN 0.272 nan 8.370 nan 0.000 0.516 543 V N 2.174 122.125 119.914 0.061 0.000 2.383 543 V HA 0.164 4.285 4.120 0.001 0.000 0.275 543 V C 0.092 176.277 176.094 0.152 0.000 1.036 543 V CA -0.880 61.478 62.300 0.096 0.000 0.889 543 V CB 1.614 33.515 31.823 0.130 0.000 0.985 543 V HN -0.009 nan 8.190 nan 0.000 0.459 544 L N 7.453 128.757 121.223 0.135 0.000 2.326 544 L HA 0.575 4.916 4.340 0.001 0.000 0.278 544 L C -0.458 176.573 176.870 0.268 0.000 1.092 544 L CA -0.053 54.872 54.840 0.142 0.000 0.810 544 L CB 0.848 42.993 42.059 0.144 0.000 1.153 544 L HN 0.771 nan 8.230 nan 0.000 0.439 545 W N 4.881 126.288 121.300 0.178 0.000 2.736 545 W HA 0.744 5.405 4.660 0.002 0.000 0.335 545 W C -2.029 174.595 176.519 0.175 0.000 1.059 545 W CA -1.171 56.283 57.345 0.183 0.000 1.226 545 W CB 0.923 30.506 29.460 0.206 0.000 1.416 545 W HN 0.318 nan 8.180 nan 0.000 0.505 546 V N 4.151 124.349 119.914 0.472 0.000 2.443 546 V HA 0.436 4.557 4.120 0.001 0.000 0.293 546 V C -0.213 176.084 176.094 0.339 0.000 1.021 546 V CA -0.785 61.696 62.300 0.301 0.000 0.848 546 V CB 1.504 33.419 31.823 0.155 0.000 0.998 546 V HN 0.658 nan 8.190 nan 0.000 0.424 547 R N 2.639 123.349 120.500 0.349 0.000 2.445 547 R HA 0.718 5.059 4.340 0.001 0.000 0.308 547 R C -0.889 175.419 176.300 0.014 0.000 0.961 547 R CA -0.258 55.910 56.100 0.113 0.000 0.862 547 R CB 1.793 32.040 30.300 -0.088 0.000 1.144 547 R HN 0.713 nan 8.270 nan 0.000 0.447 548 T N 3.389 117.918 114.554 -0.041 0.000 2.807 548 T HA 0.408 4.759 4.350 0.001 0.000 0.279 548 T C -1.048 173.601 174.700 -0.087 0.000 0.993 548 T CA -0.490 61.578 62.100 -0.053 0.000 0.970 548 T CB 1.625 70.468 68.868 -0.041 0.000 0.950 548 T HN 0.262 nan 8.240 nan 0.000 0.441 549 V N 4.040 123.904 119.914 -0.083 0.000 2.483 549 V HA 0.724 4.845 4.120 0.001 0.000 0.297 549 V C 0.311 176.369 176.094 -0.060 0.000 1.027 549 V CA -0.725 61.523 62.300 -0.087 0.000 0.855 549 V CB 1.699 33.459 31.823 -0.106 0.000 0.995 549 V HN 1.132 nan 8.190 nan 0.000 0.424 550 T N 0.852 115.373 114.554 -0.053 0.000 2.742 550 T HA 0.549 4.900 4.350 0.001 0.000 0.282 550 T C 1.268 175.945 174.700 -0.037 0.000 1.025 550 T CA 0.101 62.177 62.100 -0.040 0.000 1.020 550 T CB 1.618 70.467 68.868 -0.033 0.000 1.317 550 T HN 0.666 nan 8.240 nan 0.000 0.538 551 G N -0.292 108.491 108.800 -0.029 0.000 2.501 551 G HA2 0.123 4.084 3.960 0.001 0.000 0.220 551 G HA3 0.123 4.084 3.960 0.001 0.000 0.220 551 G C 1.394 176.277 174.900 -0.029 0.000 1.114 551 G CA 0.713 45.798 45.100 -0.026 0.000 0.757 551 G HN 1.154 nan 8.290 nan 0.000 0.559 552 A N -0.781 122.019 122.820 -0.034 0.000 2.169 552 A HA 0.577 4.898 4.320 0.001 0.000 0.212 552 A C 1.368 178.922 177.584 -0.049 0.000 1.153 552 A CA 1.444 53.456 52.037 -0.043 0.000 0.756 552 A CB -0.155 18.812 19.000 -0.054 0.000 0.813 552 A HN 1.575 nan 8.150 nan 0.000 0.471 553 G N -1.227 107.543 108.800 -0.050 0.000 2.302 553 G HA2 0.284 4.245 3.960 0.001 0.000 0.276 553 G HA3 0.284 4.245 3.960 0.001 0.000 0.276 553 G C -1.103 173.759 174.900 -0.063 0.000 1.316 553 G CA -0.138 44.931 45.100 -0.052 0.000 0.988 553 G HN 0.528 nan 8.290 nan 0.000 0.479 554 E N -0.110 120.051 120.200 -0.066 0.000 2.292 554 E HA 0.668 5.019 4.350 0.001 0.000 0.272 554 E C -0.866 175.692 176.600 -0.069 0.000 0.881 554 E CA -0.960 55.389 56.400 -0.084 0.000 0.754 554 E CB 1.454 31.086 29.700 -0.114 0.000 1.201 554 E HN 0.482 nan 8.360 nan 0.000 0.425 555 R N 1.812 122.271 120.500 -0.068 0.000 2.750 555 R HA 0.625 4.966 4.340 0.001 0.000 0.281 555 R C -1.171 175.118 176.300 -0.020 0.000 0.972 555 R CA -0.992 55.085 56.100 -0.038 0.000 0.912 555 R CB 2.050 32.329 30.300 -0.035 0.000 1.187 555 R HN 0.342 nan 8.270 nan 0.000 0.464 556 V N 3.042 122.974 119.914 0.029 0.000 2.623 556 V HA 0.357 4.478 4.120 0.001 0.000 0.304 556 V C -0.732 175.430 176.094 0.114 0.000 1.054 556 V CA -0.920 61.442 62.300 0.104 0.000 0.882 556 V CB 2.288 34.213 31.823 0.170 0.000 1.002 556 V HN 0.539 nan 8.190 nan 0.000 0.424 557 L N 6.133 127.443 121.223 0.145 0.000 2.275 557 L HA 0.684 5.025 4.340 0.001 0.000 0.288 557 L C -0.986 176.011 176.870 0.210 0.000 1.046 557 L CA 0.184 55.097 54.840 0.121 0.000 0.805 557 L CB 1.020 43.126 42.059 0.079 0.000 1.193 557 L HN 0.558 nan 8.230 nan 0.000 0.426 558 L N 5.404 126.733 121.223 0.178 0.000 2.341 558 L HA 0.478 4.819 4.340 0.001 0.000 0.278 558 L C -1.301 175.724 176.870 0.259 0.000 1.005 558 L CA -0.118 54.866 54.840 0.239 0.000 0.818 558 L CB 1.636 43.807 42.059 0.186 0.000 1.259 558 L HN 0.606 nan 8.230 nan 0.000 0.418 559 W N 4.049 125.390 121.300 0.069 0.000 2.619 559 W HA 0.392 5.053 4.660 0.001 0.000 0.327 559 W C -0.459 176.086 176.519 0.043 0.000 1.027 559 W CA -1.319 56.044 57.345 0.031 0.000 1.233 559 W CB 1.347 30.823 29.460 0.027 0.000 1.370 559 W HN 0.438 nan 8.180 nan 0.000 0.453 560 N N 5.624 124.457 118.700 0.222 0.000 2.482 560 N HA 0.057 4.798 4.740 0.001 0.000 0.242 560 N C 0.534 175.921 175.510 -0.205 0.000 1.100 560 N CA 0.064 53.126 53.050 0.020 0.000 0.946 560 N CB 0.637 39.174 38.487 0.084 0.000 1.227 560 N HN 0.412 nan 8.380 nan 0.000 0.508 561 L N 1.676 122.676 121.223 -0.373 0.000 2.478 561 L HA 0.217 4.558 4.340 0.001 0.000 0.223 561 L C 1.501 178.236 176.870 -0.224 0.000 1.140 561 L CA 0.393 54.947 54.840 -0.476 0.000 0.842 561 L CB -1.629 40.101 42.059 -0.548 0.000 0.953 561 L HN 0.482 nan 8.230 nan 0.000 0.452 562 G N -0.789 107.937 108.800 -0.125 0.000 2.653 562 G HA2 0.162 4.123 3.960 0.001 0.000 0.265 562 G HA3 0.162 4.123 3.960 0.001 0.000 0.265 562 G C 0.626 175.505 174.900 -0.034 0.000 1.237 562 G CA -0.248 44.813 45.100 -0.064 0.000 0.946 562 G HN 0.180 nan 8.290 nan 0.000 0.522 563 Q N -0.452 119.337 119.800 -0.018 0.000 2.319 563 Q HA 0.111 4.451 4.340 0.001 0.000 0.209 563 Q C 0.131 176.139 176.000 0.014 0.000 0.884 563 Q CA 0.213 56.014 55.803 -0.003 0.000 0.938 563 Q CB 0.579 29.311 28.738 -0.010 0.000 1.098 563 Q HN 0.783 nan 8.270 nan 0.000 0.517 564 D N -0.540 119.870 120.400 0.017 0.000 2.592 564 D HA 0.252 4.893 4.640 0.001 0.000 0.259 564 D C -0.345 175.980 176.300 0.042 0.000 1.144 564 D CA -0.644 53.372 54.000 0.026 0.000 1.080 564 D CB 0.459 41.270 40.800 0.018 0.000 1.225 564 D HN -0.349 nan 8.370 nan 0.000 0.619 565 T N 0.447 115.028 114.554 0.045 0.000 2.837 565 T HA 0.504 4.855 4.350 0.001 0.000 0.285 565 T C -0.061 174.669 174.700 0.050 0.000 0.984 565 T CA -0.696 61.438 62.100 0.058 0.000 1.049 565 T CB 0.714 69.616 68.868 0.057 0.000 0.947 565 T HN 0.129 nan 8.240 nan 0.000 0.472 566 R N 1.663 122.199 120.500 0.061 0.000 2.513 566 R HA 0.623 4.963 4.340 0.001 0.000 0.301 566 R C -0.584 175.751 176.300 0.058 0.000 0.968 566 R CA -0.705 55.426 56.100 0.052 0.000 0.872 566 R CB 1.871 32.203 30.300 0.053 0.000 1.177 566 R HN 0.739 nan 8.270 nan 0.000 0.444 567 A N 2.600 125.447 122.820 0.044 0.000 2.401 567 A HA 0.232 4.553 4.320 0.001 0.000 0.259 567 A C 1.372 178.978 177.584 0.036 0.000 1.103 567 A CA -0.476 51.586 52.037 0.042 0.000 0.789 567 A CB 0.591 19.607 19.000 0.028 0.000 1.035 567 A HN 0.544 nan 8.150 nan 0.000 0.491 568 V N 2.843 122.782 119.914 0.043 0.000 2.332 568 V HA -0.330 3.791 4.120 0.001 0.000 0.248 568 V C 2.926 179.020 176.094 -0.001 0.000 1.055 568 V CA 2.677 64.995 62.300 0.030 0.000 1.038 568 V CB -1.245 30.602 31.823 0.040 0.000 0.651 568 V HN 1.016 nan 8.190 nan 0.000 0.450 569 A N -0.418 122.401 122.820 -0.001 0.000 2.024 569 A HA -0.248 4.073 4.320 0.001 0.000 0.220 569 A C 2.023 179.589 177.584 -0.030 0.000 1.164 569 A CA 1.955 53.980 52.037 -0.019 0.000 0.643 569 A CB -0.390 18.605 19.000 -0.010 0.000 0.806 569 A HN 0.690 nan 8.150 nan 0.000 0.451 570 E N -0.694 119.495 120.200 -0.018 0.000 2.474 570 E HA 0.177 4.528 4.350 0.001 0.000 0.195 570 E C -0.552 176.031 176.600 -0.028 0.000 1.039 570 E CA -0.362 56.026 56.400 -0.021 0.000 0.881 570 E CB 0.511 30.207 29.700 -0.006 0.000 0.970 570 E HN 0.316 nan 8.360 nan 0.000 0.486 571 V N 2.686 122.580 119.914 -0.034 0.000 2.508 571 V HA 0.019 4.140 4.120 0.001 0.000 0.281 571 V C 0.343 176.377 176.094 -0.101 0.000 1.041 571 V CA -0.055 62.222 62.300 -0.039 0.000 1.016 571 V CB 0.681 32.495 31.823 -0.014 0.000 0.984 571 V HN 0.091 nan 8.190 nan 0.000 0.478 572 K N 6.214 126.561 120.400 -0.087 0.000 2.349 572 K HA 0.537 4.858 4.320 0.001 0.000 0.289 572 K C -0.828 175.645 176.600 -0.211 0.000 1.064 572 K CA -0.022 56.187 56.287 -0.130 0.000 0.947 572 K CB 0.498 32.949 32.500 -0.081 0.000 1.007 572 K HN 0.503 nan 8.250 nan 0.000 0.478 573 L N 4.556 125.551 121.223 -0.381 0.000 2.388 573 L HA 0.370 4.711 4.340 0.001 0.000 0.264 573 L C -1.599 174.905 176.870 -0.610 0.000 0.998 573 L CA -1.873 52.526 54.840 -0.735 0.000 0.817 573 L CB 2.191 43.458 42.059 -1.321 0.000 1.338 573 L HN 0.516 nan 8.230 nan 0.000 0.414 574 P HA 0.092 nan 4.420 nan 0.000 0.255 574 P C -0.794 176.453 177.300 -0.088 0.000 1.357 574 P CA 0.395 63.391 63.100 -0.173 0.000 0.839 574 P CB -0.261 31.471 31.700 0.054 0.000 1.356 575 F N -3.870 115.949 119.950 -0.217 0.000 2.745 575 F HA 0.583 5.111 4.527 0.001 0.000 0.316 575 F C -0.614 175.081 175.800 -0.175 0.000 1.155 575 F CA -1.393 56.499 58.000 -0.181 0.000 0.937 575 F CB 0.169 39.041 39.000 -0.213 0.000 1.361 575 F HN -0.516 nan 8.300 nan 0.000 0.472 576 T N 2.185 116.796 114.554 0.095 0.000 2.761 576 T HA 0.335 4.686 4.350 0.001 0.000 0.296 576 T C -0.257 174.512 174.700 0.115 0.000 0.934 576 T CA -0.308 61.797 62.100 0.009 0.000 1.091 576 T CB 1.046 69.931 68.868 0.027 0.000 0.896 576 T HN 0.697 nan 8.240 nan 0.000 0.515 577 V N 7.115 127.009 119.914 -0.034 0.000 2.599 577 V HA 0.153 4.274 4.120 0.001 0.000 0.300 577 V C -1.884 174.250 176.094 0.067 0.000 1.034 577 V CA -1.600 60.730 62.300 0.049 0.000 1.115 577 V CB 0.580 32.371 31.823 -0.054 0.000 0.934 577 V HN 0.715 nan 8.190 nan 0.000 0.485 578 P HA 0.208 nan 4.420 nan 0.000 0.268 578 P C 0.072 177.388 177.300 0.027 0.000 1.208 578 P CA 0.080 63.204 63.100 0.040 0.000 0.777 578 P CB 0.415 32.133 31.700 0.029 0.000 0.875 579 R N 0.589 121.098 120.500 0.016 0.000 2.237 579 R HA 0.117 4.458 4.340 0.001 0.000 0.195 579 R C 0.981 177.289 176.300 0.014 0.000 0.956 579 R CA 0.036 56.143 56.100 0.012 0.000 1.029 579 R CB 0.170 30.473 30.300 0.006 0.000 0.972 579 R HN 0.377 nan 8.270 nan 0.000 0.493 580 R N 2.110 122.617 120.500 0.011 0.000 2.265 580 R HA 0.128 4.469 4.340 0.001 0.000 0.314 580 R C -0.472 175.838 176.300 0.017 0.000 1.053 580 R CA -0.327 55.780 56.100 0.010 0.000 0.931 580 R CB 0.614 30.915 30.300 0.003 0.000 1.024 580 R HN -0.039 nan 8.270 nan 0.000 0.457 581 L N 7.218 128.455 121.223 0.023 0.000 2.410 581 L HA 0.060 4.400 4.340 0.001 0.000 0.273 581 L C 0.041 176.925 176.870 0.023 0.000 1.144 581 L CA 0.636 55.497 54.840 0.034 0.000 0.863 581 L CB 0.738 42.825 42.059 0.047 0.000 1.140 581 L HN 0.949 nan 8.230 nan 0.000 0.463 582 L N 5.924 127.158 121.223 0.018 0.000 2.467 582 L HA 0.276 4.617 4.340 0.001 0.000 0.213 582 L C 0.180 177.056 176.870 0.010 0.000 1.053 582 L CA 0.244 55.088 54.840 0.006 0.000 0.847 582 L CB 0.374 42.428 42.059 -0.008 0.000 1.075 582 L HN 0.516 nan 8.230 nan 0.000 0.479 583 L N -0.990 120.243 121.223 0.016 0.000 2.505 583 L HA 0.476 4.817 4.340 0.001 0.000 0.259 583 L C -1.551 175.347 176.870 0.047 0.000 0.952 583 L CA -0.539 54.313 54.840 0.021 0.000 0.840 583 L CB 2.390 44.438 42.059 -0.018 0.000 1.358 583 L HN -0.088 nan 8.230 nan 0.000 0.409 584 H N 1.768 120.824 119.070 -0.023 0.000 2.589 584 H HA 0.287 4.843 4.556 0.001 0.000 0.351 584 H C 0.233 175.536 175.328 -0.042 0.000 1.074 584 H CA 0.341 56.375 56.048 -0.023 0.000 1.203 584 H CB 2.247 32.002 29.762 -0.012 0.000 1.558 584 H HN 0.859 nan 8.280 nan 0.000 0.522 585 T N 0.927 115.441 114.554 -0.068 0.000 2.977 585 T HA -0.063 4.288 4.350 0.001 0.000 0.271 585 T C 0.638 175.381 174.700 0.072 0.000 1.105 585 T CA 0.925 63.013 62.100 -0.020 0.000 1.116 585 T CB 0.224 69.020 68.868 -0.120 0.000 0.878 585 T HN 0.476 nan 8.240 nan 0.000 0.509 586 E N 0.592 120.961 120.200 0.283 0.000 2.558 586 E HA 0.321 4.672 4.350 0.001 0.000 0.205 586 E C 1.357 177.967 176.600 0.017 0.000 1.006 586 E CA 0.269 56.709 56.400 0.065 0.000 0.961 586 E CB 0.312 29.957 29.700 -0.092 0.000 1.044 586 E HN 0.629 nan 8.360 nan 0.000 0.465 587 G N 2.555 111.398 108.800 0.072 0.000 2.153 587 G HA2 -0.352 3.608 3.960 0.001 0.000 0.252 587 G HA3 -0.352 3.608 3.960 0.001 0.000 0.252 587 G C 0.295 175.106 174.900 -0.148 0.000 0.994 587 G CA 0.227 45.318 45.100 -0.015 0.000 0.698 587 G HN 0.201 nan 8.290 nan 0.000 0.521 588 R N -0.139 120.090 120.500 -0.452 0.000 2.694 588 R HA 0.324 4.665 4.340 0.001 0.000 0.268 588 R C 1.201 177.347 176.300 -0.256 0.000 1.061 588 R CA 0.347 56.164 56.100 -0.473 0.000 1.133 588 R CB 0.556 30.379 30.300 -0.796 0.000 1.020 588 R HN 0.481 nan 8.270 nan 0.000 0.475 589 E N 0.552 120.665 120.200 -0.144 0.000 2.170 589 E HA -0.045 4.305 4.350 0.001 0.000 0.191 589 E C -0.317 176.262 176.600 -0.034 0.000 0.981 589 E CA 0.681 57.043 56.400 -0.063 0.000 0.830 589 E CB 0.283 29.958 29.700 -0.041 0.000 0.775 589 E HN 0.478 nan 8.360 nan 0.000 0.470 590 D N 0.212 120.586 120.400 -0.043 0.000 2.268 590 D HA 0.210 4.851 4.640 0.001 0.000 0.249 590 D C -0.115 176.214 176.300 0.049 0.000 1.008 590 D CA -0.420 53.581 54.000 0.001 0.000 0.939 590 D CB 1.410 42.209 40.800 -0.002 0.000 1.170 590 D HN -0.064 nan 8.370 nan 0.000 0.468 591 L N 1.484 122.748 121.223 0.067 0.000 2.391 591 L HA 0.180 4.521 4.340 0.001 0.000 0.249 591 L C -0.003 176.930 176.870 0.104 0.000 1.308 591 L CA 0.405 55.307 54.840 0.102 0.000 1.209 591 L CB -0.598 41.501 42.059 0.066 0.000 1.401 591 L HN 0.092 nan 8.230 nan 0.000 0.416 592 T N 2.056 116.701 114.554 0.152 0.000 2.937 592 T HA 0.461 4.812 4.350 0.001 0.000 0.297 592 T C -0.248 174.591 174.700 0.232 0.000 0.991 592 T CA -0.397 61.785 62.100 0.137 0.000 0.990 592 T CB 1.672 70.589 68.868 0.081 0.000 0.991 592 T HN 0.146 nan 8.240 nan 0.000 0.440 593 L N 3.275 124.601 121.223 0.172 0.000 2.277 593 L HA 0.537 4.877 4.340 0.001 0.000 0.284 593 L C 1.299 178.260 176.870 0.152 0.000 1.028 593 L CA -0.828 54.118 54.840 0.176 0.000 0.835 593 L CB 0.866 42.997 42.059 0.119 0.000 1.215 593 L HN 0.757 nan 8.230 nan 0.000 0.425 594 G N 2.168 111.076 108.800 0.180 0.000 2.732 594 G HA2 0.314 4.275 3.960 0.001 0.000 0.244 594 G HA3 0.314 4.275 3.960 0.001 0.000 0.244 594 G C 0.366 175.364 174.900 0.164 0.000 1.226 594 G CA -0.239 44.958 45.100 0.163 0.000 0.860 594 G HN 0.782 nan 8.290 nan 0.000 0.583 595 A N -0.446 122.461 122.820 0.144 0.000 2.561 595 A HA 0.491 4.812 4.320 0.001 0.000 0.251 595 A C 1.711 179.403 177.584 0.180 0.000 1.062 595 A CA 1.349 53.458 52.037 0.120 0.000 0.761 595 A CB -0.662 18.388 19.000 0.083 0.000 0.986 595 A HN 2.645 nan 8.150 nan 0.000 0.510 596 G N 1.971 110.862 108.800 0.152 0.000 2.199 596 G HA2 -0.212 3.749 3.960 0.001 0.000 0.254 596 G HA3 -0.212 3.749 3.960 0.001 0.000 0.254 596 G C 0.045 175.221 174.900 0.461 0.000 0.982 596 G CA 0.528 45.786 45.100 0.263 0.000 0.632 596 G HN 0.873 nan 8.290 nan 0.000 0.529 597 E N 0.283 120.673 120.200 0.317 0.000 2.318 597 E HA 0.682 5.032 4.350 0.001 0.000 0.265 597 E C 0.337 177.060 176.600 0.204 0.000 1.069 597 E CA 0.044 56.568 56.400 0.207 0.000 0.893 597 E CB 1.487 31.264 29.700 0.127 0.000 1.076 597 E HN 0.786 nan 8.360 nan 0.000 0.414 598 A N 1.265 124.044 122.820 -0.069 0.000 2.469 598 A HA 0.693 5.014 4.320 0.001 0.000 0.299 598 A C -1.415 175.978 177.584 -0.318 0.000 1.098 598 A CA -0.648 51.320 52.037 -0.115 0.000 0.737 598 A CB 2.061 20.917 19.000 -0.240 0.000 1.312 598 A HN 0.346 nan 8.150 nan 0.000 0.414 599 V N 1.366 121.170 119.914 -0.184 0.000 2.888 599 V HA 0.685 4.805 4.120 0.001 0.000 0.309 599 V C -1.768 174.296 176.094 -0.050 0.000 1.114 599 V CA -0.638 61.564 62.300 -0.164 0.000 0.940 599 V CB 1.855 33.604 31.823 -0.124 0.000 1.021 599 V HN 1.078 nan 8.190 nan 0.000 0.426 600 L N 7.327 128.527 121.223 -0.038 0.000 2.296 600 L HA 0.844 5.185 4.340 0.001 0.000 0.286 600 L C -0.471 176.404 176.870 0.008 0.000 1.023 600 L CA 0.014 54.848 54.840 -0.010 0.000 0.812 600 L CB 1.661 43.703 42.059 -0.030 0.000 1.223 600 L HN 0.685 nan 8.230 nan 0.000 0.421 601 V N 1.974 121.901 119.914 0.022 0.000 2.960 601 V HA 1.112 5.233 4.120 0.001 0.000 0.315 601 V C -0.077 176.024 176.094 0.012 0.000 1.087 601 V CA 0.060 62.374 62.300 0.023 0.000 0.982 601 V CB 1.209 33.055 31.823 0.038 0.000 1.039 601 V HN 0.925 nan 8.190 nan 0.000 0.437 602 G N 0.000 108.803 108.800 0.004 0.000 5.446 602 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 602 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 602 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 602 G HN 0.000 nan 8.290 nan 0.000 0.925