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 1sgz_1_C DATA FIRST_RESID -3 DATA SEQUENCE GSFVEMVDNL RGKSGQGYYV EMTVGSPPQT LNILVDTGSS NFAVGAAPHP DATA SEQUENCE FLHRYYQRQL SSTYRDLRKG VYVPYTQGKW EGELGTDLVS IPHGPNVTVR DATA SEQUENCE ANIAAITESD KFFINGSNWE GILGLAYAEI ARPDDSLEPF FDSLVKQTHV DATA SEQUENCE PNLFSLQLcG AGFPLNQSEV LASVGGSMII GGIDHSLYTG SLWYTPIRRE DATA SEQUENCE WYYEVIIVRV EINGQDLKMD CKEYNYDKSI VDSGTTNLRL PKKVFEAAVK DATA SEQUENCE SIKAASSTEK FPDGFWLGEQ LVcWQAGTTP WNIFPVISLY LMGEVTNQSF DATA SEQUENCE RITILPQQYL RPVEDVATSQ DDcYKFAISQ SSTGTVMGAV IMEGFYVVFD DATA SEQUENCE RARKRIGFAV SAcHVHDEFR TAAVEGPFVT LDMEDCGYN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -3 G C 0.000 174.953 174.900 0.089 0.000 0.946 -3 G CA 0.000 45.133 45.100 0.056 0.000 0.502 -2 S N -0.678 114.954 115.700 -0.113 0.000 2.668 -2 S HA 0.662 5.132 4.470 -0.000 0.000 0.277 -2 S C -1.940 172.498 174.600 -0.270 0.000 1.170 -2 S CA -0.528 57.648 58.200 -0.039 0.000 0.994 -2 S CB 0.578 63.735 63.200 -0.073 0.000 1.051 -2 S HN 0.601 nan 8.310 nan 0.000 0.484 -1 F N 4.838 124.832 119.950 0.072 0.000 2.523 -1 F HA 0.227 4.754 4.527 -0.000 0.000 0.322 -1 F C 1.464 177.302 175.800 0.063 0.000 1.361 -1 F CA -0.810 57.235 58.000 0.075 0.000 1.151 -1 F CB 0.492 39.553 39.000 0.103 0.000 1.391 -1 F HN 0.488 nan 8.300 nan 0.000 0.566 0 V N -1.998 117.997 119.914 0.136 0.000 2.370 0 V HA -0.252 3.868 4.120 -0.000 0.000 0.252 0 V C 2.001 178.164 176.094 0.116 0.000 1.068 0 V CA 1.970 64.329 62.300 0.099 0.000 1.061 0 V CB -0.182 31.670 31.823 0.048 0.000 0.656 0 V HN 0.436 nan 8.190 nan 0.000 0.455 1 E N 0.241 120.525 120.200 0.140 0.000 2.204 1 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 1 E C 2.079 178.788 176.600 0.183 0.000 0.990 1 E CA 1.905 58.399 56.400 0.157 0.000 0.821 1 E CB -0.218 29.573 29.700 0.152 0.000 0.750 1 E HN 0.708 nan 8.360 nan 0.000 0.477 2 M N 0.114 119.829 119.600 0.192 0.000 2.414 2 M HA 0.067 4.547 4.480 -0.000 0.000 0.251 2 M C 0.500 176.867 176.300 0.111 0.000 1.116 2 M CA -0.048 55.350 55.300 0.163 0.000 1.056 2 M CB 0.944 33.644 32.600 0.167 0.000 1.388 2 M HN -0.259 nan 8.290 nan 0.000 0.487 3 V N 2.794 122.771 119.914 0.105 0.000 2.673 3 V HA -0.071 4.049 4.120 -0.000 0.000 0.303 3 V C 0.262 176.365 176.094 0.014 0.000 1.046 3 V CA 0.558 62.893 62.300 0.058 0.000 1.126 3 V CB 0.283 32.139 31.823 0.053 0.000 0.934 3 V HN 0.531 nan 8.190 nan 0.000 0.487 4 D N 2.886 123.282 120.400 -0.007 0.000 2.870 4 D HA -0.164 4.476 4.640 -0.000 0.000 0.228 4 D C 0.830 177.092 176.300 -0.063 0.000 1.147 4 D CA 1.214 55.193 54.000 -0.035 0.000 0.757 4 D CB -1.035 39.740 40.800 -0.042 0.000 1.091 4 D HN 0.931 nan 8.370 nan 0.000 0.429 5 N N 0.031 118.709 118.700 -0.036 0.000 2.322 5 N HA 0.014 4.753 4.740 -0.000 0.000 0.194 5 N C 0.439 175.931 175.510 -0.030 0.000 1.126 5 N CA 0.108 53.133 53.050 -0.042 0.000 0.845 5 N CB 0.227 38.746 38.487 0.054 0.000 0.976 5 N HN 0.343 nan 8.380 nan 0.000 0.475 6 L N -0.024 121.171 121.223 -0.046 0.000 2.334 6 L HA 0.577 4.917 4.340 -0.000 0.000 0.270 6 L C 0.298 177.084 176.870 -0.141 0.000 1.018 6 L CA -0.924 53.871 54.840 -0.075 0.000 0.811 6 L CB 1.628 43.675 42.059 -0.019 0.000 1.271 6 L HN -0.059 nan 8.230 nan 0.000 0.443 7 R N 0.012 120.290 120.500 -0.370 0.000 2.774 7 R HA 0.803 5.143 4.340 -0.000 0.000 0.272 7 R C -0.597 175.289 176.300 -0.690 0.000 1.000 7 R CA -0.540 55.272 56.100 -0.479 0.000 0.906 7 R CB 2.364 32.344 30.300 -0.534 0.000 1.227 7 R HN 0.870 nan 8.270 nan 0.000 0.468 8 G N 0.984 109.506 108.800 -0.464 0.000 2.298 8 G HA2 0.023 3.983 3.960 -0.000 0.000 0.309 8 G HA3 0.023 3.983 3.960 -0.000 0.000 0.309 8 G C -1.815 172.613 174.900 -0.786 0.000 1.279 8 G CA -0.562 44.215 45.100 -0.537 0.000 1.042 8 G HN 0.686 nan 8.290 nan 0.000 0.480 9 K N -2.298 117.510 120.400 -0.986 0.000 2.579 9 K HA 0.682 5.002 4.320 -0.000 0.000 0.284 9 K C 1.179 177.495 176.600 -0.473 0.000 0.990 9 K CA 0.054 55.927 56.287 -0.691 0.000 0.880 9 K CB 1.253 33.598 32.500 -0.259 0.000 1.488 9 K HN 1.307 nan 8.250 nan 0.000 0.425 10 S N -0.043 115.635 115.700 -0.038 0.000 2.400 10 S HA -0.148 4.322 4.470 -0.000 0.000 0.232 10 S C 1.824 176.447 174.600 0.039 0.000 1.025 10 S CA 1.380 59.651 58.200 0.118 0.000 0.993 10 S CB -0.818 62.473 63.200 0.152 0.000 0.808 10 S HN 0.810 nan 8.310 nan 0.000 0.478 11 G N 0.523 109.320 108.800 -0.004 0.000 2.448 11 G HA2 0.001 3.960 3.960 -0.000 0.000 0.218 11 G HA3 0.001 3.960 3.960 -0.000 0.000 0.218 11 G C 1.416 176.322 174.900 0.010 0.000 1.135 11 G CA 0.474 45.576 45.100 0.004 0.000 0.784 11 G HN 0.642 nan 8.290 nan 0.000 0.543 12 Q N -0.865 118.935 119.800 -0.001 0.000 2.164 12 Q HA 0.387 4.727 4.340 -0.000 0.000 0.226 12 Q C 0.690 176.820 176.000 0.217 0.000 0.813 12 Q CA 0.161 56.006 55.803 0.071 0.000 0.978 12 Q CB 1.760 30.505 28.738 0.011 0.000 1.149 12 Q HN 0.454 nan 8.270 nan 0.000 0.489 13 G N 0.739 109.578 108.800 0.066 0.000 2.662 13 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.686 13 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.686 13 G C -1.392 173.457 174.900 -0.084 0.000 1.271 13 G CA -0.968 44.173 45.100 0.068 0.000 0.816 13 G HN 0.120 nan 8.290 nan 0.000 0.608 14 Y N 0.244 120.552 120.300 0.013 0.000 2.360 14 Y HA 0.686 5.236 4.550 -0.000 0.000 0.337 14 Y C 0.713 176.583 175.900 -0.049 0.000 1.039 14 Y CA -0.207 57.854 58.100 -0.065 0.000 1.109 14 Y CB 1.794 40.197 38.460 -0.095 0.000 1.201 14 Y HN 0.802 nan 8.280 nan 0.000 0.458 15 Y N 0.173 120.523 120.300 0.084 0.000 2.602 15 Y HA 0.842 5.392 4.550 -0.000 0.000 0.342 15 Y C -1.628 174.294 175.900 0.037 0.000 1.029 15 Y CA -1.761 56.346 58.100 0.013 0.000 1.080 15 Y CB 0.950 39.444 38.460 0.058 0.000 1.284 15 Y HN 0.409 nan 8.280 nan 0.000 0.485 16 V N 1.218 121.256 119.914 0.207 0.000 2.823 16 V HA 0.413 4.533 4.120 -0.000 0.000 0.312 16 V C -0.818 175.386 176.094 0.184 0.000 1.072 16 V CA -0.852 61.529 62.300 0.135 0.000 0.937 16 V CB 1.822 33.661 31.823 0.026 0.000 1.013 16 V HN 0.989 nan 8.190 nan 0.000 0.430 17 E N 5.079 125.389 120.200 0.185 0.000 2.313 17 E HA 0.520 4.870 4.350 -0.000 0.000 0.276 17 E C -0.831 175.813 176.600 0.073 0.000 1.031 17 E CA -0.277 56.217 56.400 0.157 0.000 0.857 17 E CB 0.978 30.794 29.700 0.194 0.000 1.040 17 E HN 0.693 nan 8.360 nan 0.000 0.408 18 M N 1.713 121.339 119.600 0.043 0.000 2.667 18 M HA 0.352 4.832 4.480 -0.000 0.000 0.286 18 M C -0.767 175.543 176.300 0.016 0.000 1.270 18 M CA -0.955 54.344 55.300 -0.002 0.000 0.826 18 M CB 2.495 35.066 32.600 -0.048 0.000 1.743 18 M HN 0.585 nan 8.290 nan 0.000 0.460 19 T N -0.436 114.124 114.554 0.011 0.000 2.893 19 T HA 0.823 5.173 4.350 -0.000 0.000 0.293 19 T C -0.805 173.907 174.700 0.020 0.000 1.027 19 T CA -0.782 61.327 62.100 0.013 0.000 0.988 19 T CB 1.626 70.500 68.868 0.011 0.000 1.043 19 T HN 0.718 nan 8.240 nan 0.000 0.461 20 V N -0.956 118.952 119.914 -0.010 0.000 2.876 20 V HA 1.005 5.125 4.120 -0.000 0.000 0.312 20 V C 0.526 176.637 176.094 0.029 0.000 1.085 20 V CA 0.084 62.360 62.300 -0.041 0.000 0.945 20 V CB 0.675 32.313 31.823 -0.309 0.000 1.017 20 V HN 2.098 nan 8.190 nan 0.000 0.428 21 G N 2.762 111.621 108.800 0.097 0.000 2.796 21 G HA2 0.112 4.071 3.960 -0.000 0.000 0.571 21 G HA3 0.112 4.071 3.960 -0.000 0.000 0.571 21 G C -0.377 174.590 174.900 0.112 0.000 1.370 21 G CA -0.262 44.941 45.100 0.172 0.000 0.856 21 G HN 1.865 nan 8.290 nan 0.000 0.538 22 S N 2.360 118.126 115.700 0.110 0.000 2.707 22 S HA 0.706 5.176 4.470 -0.000 0.000 0.303 22 S C -2.152 172.485 174.600 0.061 0.000 1.132 22 S CA -0.554 57.690 58.200 0.073 0.000 1.046 22 S CB 2.803 66.044 63.200 0.067 0.000 1.004 22 S HN 0.815 nan 8.310 nan 0.000 0.483 23 P HA 0.294 nan 4.420 nan 0.000 0.272 23 P C -2.929 174.395 177.300 0.040 0.000 1.240 23 P CA -1.665 61.455 63.100 0.034 0.000 0.791 23 P CB -0.866 30.846 31.700 0.020 0.000 0.978 24 P HA 0.065 nan 4.420 nan 0.000 0.261 24 P C -0.497 176.817 177.300 0.023 0.000 1.183 24 P CA 0.746 63.864 63.100 0.029 0.000 0.761 24 P CB 0.045 31.756 31.700 0.018 0.000 0.785 25 Q N 1.724 121.541 119.800 0.028 0.000 2.347 25 Q HA 0.290 4.630 4.340 -0.000 0.000 0.262 25 Q C -0.261 175.740 176.000 0.001 0.000 0.980 25 Q CA -0.442 55.370 55.803 0.015 0.000 0.867 25 Q CB 1.110 29.880 28.738 0.052 0.000 1.242 25 Q HN 0.361 nan 8.270 nan 0.000 0.453 26 T N 3.688 118.240 114.554 -0.004 0.000 2.869 26 T HA 0.507 4.857 4.350 -0.000 0.000 0.295 26 T C -0.177 174.525 174.700 0.003 0.000 0.987 26 T CA -0.085 62.019 62.100 0.007 0.000 1.109 26 T CB 0.325 69.204 68.868 0.018 0.000 0.932 26 T HN 0.347 nan 8.240 nan 0.000 0.518 27 L N 2.848 124.083 121.223 0.019 0.000 2.465 27 L HA 0.446 4.786 4.340 -0.000 0.000 0.257 27 L C -0.292 176.607 176.870 0.049 0.000 0.988 27 L CA -1.034 53.819 54.840 0.022 0.000 0.827 27 L CB 2.308 44.375 42.059 0.014 0.000 1.397 27 L HN 0.551 nan 8.230 nan 0.000 0.410 28 N N 2.192 120.910 118.700 0.030 0.000 2.434 28 N HA 0.551 5.290 4.740 -0.000 0.000 0.272 28 N C -1.194 174.363 175.510 0.078 0.000 1.040 28 N CA -0.569 52.497 53.050 0.027 0.000 0.956 28 N CB 1.325 39.650 38.487 -0.270 0.000 1.108 28 N HN 0.245 nan 8.380 nan 0.000 0.481 29 I N 2.987 123.629 120.570 0.121 0.000 2.436 29 I HA 0.207 4.377 4.170 -0.000 0.000 0.289 29 I C -0.155 175.941 176.117 -0.034 0.000 1.010 29 I CA -0.865 60.470 61.300 0.058 0.000 1.098 29 I CB 1.343 39.373 38.000 0.050 0.000 1.266 29 I HN 0.424 nan 8.210 nan 0.000 0.434 30 L N 7.755 128.784 121.223 -0.323 0.000 2.513 30 L HA 0.135 4.475 4.340 -0.000 0.000 0.272 30 L C -0.219 176.459 176.870 -0.320 0.000 1.187 30 L CA 0.431 54.940 54.840 -0.552 0.000 0.895 30 L CB 0.635 41.907 42.059 -1.312 0.000 1.147 30 L HN 0.339 nan 8.230 nan 0.000 0.483 31 V N 5.312 125.102 119.914 -0.207 0.000 2.389 31 V HA 0.239 4.358 4.120 -0.000 0.000 0.264 31 V C -0.294 175.681 176.094 -0.197 0.000 1.049 31 V CA -0.280 61.899 62.300 -0.201 0.000 0.932 31 V CB 0.799 32.532 31.823 -0.150 0.000 1.011 31 V HN 0.805 nan 8.190 nan 0.000 0.475 32 D N 3.316 123.591 120.400 -0.208 0.000 2.469 32 D HA 0.237 4.877 4.640 -0.000 0.000 0.251 32 D C 1.084 177.316 176.300 -0.114 0.000 1.173 32 D CA -0.212 53.700 54.000 -0.148 0.000 0.882 32 D CB 1.868 42.584 40.800 -0.140 0.000 1.129 32 D HN 0.566 nan 8.370 nan 0.000 0.549 33 T N -0.089 114.408 114.554 -0.096 0.000 3.148 33 T HA 0.141 4.491 4.350 -0.000 0.000 0.253 33 T C 1.499 176.293 174.700 0.158 0.000 1.134 33 T CA 0.324 62.412 62.100 -0.020 0.000 1.051 33 T CB 0.171 68.921 68.868 -0.198 0.000 0.959 33 T HN 0.303 nan 8.240 nan 0.000 0.525 34 G N 0.911 109.771 108.800 0.100 0.000 3.284 34 G HA2 0.445 4.404 3.960 -0.000 0.000 0.236 34 G HA3 0.445 4.404 3.960 -0.000 0.000 0.236 34 G C 0.272 175.254 174.900 0.136 0.000 1.158 34 G CA 0.090 45.290 45.100 0.167 0.000 0.774 34 G HN 0.766 nan 8.290 nan 0.000 0.545 35 S N -2.007 113.723 115.700 0.049 0.000 2.671 35 S HA 0.644 5.114 4.470 -0.000 0.000 0.277 35 S C -0.099 174.498 174.600 -0.005 0.000 1.165 35 S CA -0.345 57.866 58.200 0.018 0.000 0.822 35 S CB 1.805 65.047 63.200 0.070 0.000 1.150 35 S HN -0.051 nan 8.310 nan 0.000 0.479 36 S N 0.166 115.877 115.700 0.019 0.000 2.937 36 S HA 0.387 4.857 4.470 -0.000 0.000 0.252 36 S C -0.579 174.088 174.600 0.111 0.000 1.022 36 S CA -0.470 57.751 58.200 0.035 0.000 1.079 36 S CB -0.404 62.799 63.200 0.005 0.000 1.035 36 S HN 0.671 nan 8.310 nan 0.000 0.594 37 N N 1.232 120.031 118.700 0.164 0.000 2.405 37 N HA 0.481 5.221 4.740 -0.000 0.000 0.299 37 N C -1.358 174.300 175.510 0.248 0.000 1.075 37 N CA -0.473 52.721 53.050 0.240 0.000 0.884 37 N CB 1.140 39.851 38.487 0.373 0.000 1.194 37 N HN 0.298 nan 8.380 nan 0.000 0.491 38 F N 1.940 121.923 119.950 0.056 0.000 2.361 38 F HA 0.677 5.204 4.527 -0.000 0.000 0.364 38 F C -0.576 175.184 175.800 -0.067 0.000 1.120 38 F CA -0.711 57.271 58.000 -0.030 0.000 1.102 38 F CB 0.353 39.353 39.000 -0.000 0.000 1.183 38 F HN 0.450 nan 8.300 nan 0.000 0.476 39 A N 6.158 128.819 122.820 -0.266 0.000 2.422 39 A HA 0.732 5.052 4.320 -0.000 0.000 0.302 39 A C -1.433 175.891 177.584 -0.433 0.000 1.041 39 A CA -0.573 51.146 52.037 -0.529 0.000 0.708 39 A CB 1.665 20.020 19.000 -1.075 0.000 1.257 39 A HN 0.874 nan 8.150 nan 0.000 0.414 40 V N -0.233 119.475 119.914 -0.343 0.000 2.876 40 V HA 0.931 5.051 4.120 -0.000 0.000 0.312 40 V C 0.427 176.585 176.094 0.107 0.000 1.085 40 V CA -0.275 61.964 62.300 -0.102 0.000 0.945 40 V CB 1.286 32.963 31.823 -0.243 0.000 1.017 40 V HN 1.607 nan 8.190 nan 0.000 0.428 41 G N 1.577 110.537 108.800 0.267 0.000 2.340 41 G HA2 0.514 4.474 3.960 -0.000 0.000 0.245 41 G HA3 0.514 4.474 3.960 -0.000 0.000 0.245 41 G C 0.503 175.505 174.900 0.169 0.000 1.294 41 G CA 0.137 45.358 45.100 0.203 0.000 0.896 41 G HN 1.909 nan 8.290 nan 0.000 0.522 42 A N 1.291 124.175 122.820 0.108 0.000 2.609 42 A HA 0.784 5.104 4.320 -0.000 0.000 0.286 42 A C 0.680 178.185 177.584 -0.132 0.000 1.138 42 A CA 0.717 52.820 52.037 0.109 0.000 0.960 42 A CB 0.106 19.150 19.000 0.073 0.000 1.208 42 A HN 1.886 nan 8.150 nan 0.000 0.541 43 A N 0.456 122.991 122.820 -0.475 0.000 2.604 43 A HA 0.749 5.069 4.320 -0.000 0.000 0.295 43 A C -3.225 173.735 177.584 -1.041 0.000 1.067 43 A CA -1.423 50.128 52.037 -0.810 0.000 0.683 43 A CB 0.811 19.621 19.000 -0.318 0.000 1.281 43 A HN 0.034 nan 8.150 nan 0.000 0.407 44 P HA 0.113 nan 4.420 nan 0.000 0.264 44 P C -0.874 176.313 177.300 -0.188 0.000 1.179 44 P CA 0.782 63.599 63.100 -0.471 0.000 0.763 44 P CB 0.271 31.843 31.700 -0.214 0.000 0.806 45 H N 2.490 121.439 119.070 -0.202 0.000 3.085 45 H HA 0.202 4.758 4.556 -0.000 0.000 0.356 45 H C -2.134 173.089 175.328 -0.175 0.000 1.178 45 H CA -1.512 54.425 56.048 -0.185 0.000 1.214 45 H CB 2.003 31.644 29.762 -0.202 0.000 1.881 45 H HN 0.058 nan 8.280 nan 0.000 0.538 46 P HA -0.100 nan 4.420 nan 0.000 0.217 46 P C 0.702 177.964 177.300 -0.064 0.000 1.151 46 P CA 1.532 64.371 63.100 -0.434 0.000 0.849 46 P CB -0.001 31.178 31.700 -0.868 0.000 0.787 47 F N -1.831 118.283 119.950 0.273 0.000 2.639 47 F HA 0.242 4.769 4.527 -0.000 0.000 0.300 47 F C 0.657 176.447 175.800 -0.017 0.000 1.109 47 F CA -0.639 57.439 58.000 0.130 0.000 1.335 47 F CB 0.116 39.197 39.000 0.135 0.000 1.014 47 F HN -0.211 nan 8.300 nan 0.000 0.537 48 L N 0.047 121.348 121.223 0.131 0.000 2.333 48 L HA 0.280 4.620 4.340 -0.000 0.000 0.280 48 L C 0.885 177.808 176.870 0.088 0.000 1.004 48 L CA -0.691 54.129 54.840 -0.033 0.000 0.820 48 L CB 1.467 43.414 42.059 -0.187 0.000 1.247 48 L HN 0.020 nan 8.230 nan 0.000 0.416 49 H N 4.074 123.124 119.070 -0.033 0.000 2.482 49 H HA 0.155 4.711 4.556 -0.000 0.000 0.286 49 H C 0.152 175.464 175.328 -0.026 0.000 1.017 49 H CA 0.648 56.685 56.048 -0.018 0.000 1.322 49 H CB 0.471 30.211 29.762 -0.037 0.000 1.426 49 H HN 0.581 nan 8.280 nan 0.000 0.546 50 R N -1.163 119.272 120.500 -0.108 0.000 2.764 50 R HA 0.392 4.732 4.340 -0.000 0.000 0.270 50 R C -1.654 174.600 176.300 -0.075 0.000 1.014 50 R CA -1.034 54.925 56.100 -0.235 0.000 0.904 50 R CB 1.543 31.677 30.300 -0.277 0.000 1.236 50 R HN 0.141 nan 8.270 nan 0.000 0.466 51 Y N -2.347 117.898 120.300 -0.091 0.000 2.689 51 Y HA 0.455 5.005 4.550 -0.000 0.000 0.333 51 Y C -1.634 174.288 175.900 0.035 0.000 1.208 51 Y CA -1.722 56.349 58.100 -0.049 0.000 1.055 51 Y CB 0.567 38.981 38.460 -0.077 0.000 1.304 51 Y HN 0.583 nan 8.280 nan 0.000 0.455 52 Y N 2.856 123.221 120.300 0.109 0.000 2.496 52 Y HA 0.320 4.870 4.550 -0.000 0.000 0.334 52 Y C -0.470 175.471 175.900 0.069 0.000 1.080 52 Y CA -0.702 57.411 58.100 0.022 0.000 1.355 52 Y CB 0.744 39.197 38.460 -0.012 0.000 1.193 52 Y HN 0.683 nan 8.280 nan 0.000 0.523 53 Q N 7.299 127.065 119.800 -0.058 0.000 2.509 53 Q HA 0.259 4.599 4.340 -0.000 0.000 0.236 53 Q C 1.000 176.729 176.000 -0.452 0.000 1.073 53 Q CA -0.417 55.261 55.803 -0.208 0.000 0.867 53 Q CB 0.932 29.598 28.738 -0.121 0.000 1.181 53 Q HN 0.810 nan 8.270 nan 0.000 0.526 54 R N 1.160 121.155 120.500 -0.842 0.000 2.103 54 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 54 R C 2.149 178.120 176.300 -0.547 0.000 1.142 54 R CA 1.996 57.485 56.100 -1.018 0.000 0.960 54 R CB -0.023 29.405 30.300 -1.453 0.000 0.858 54 R HN 0.635 nan 8.270 nan 0.000 0.439 55 Q N 0.912 120.493 119.800 -0.365 0.000 2.364 55 Q HA -0.149 4.191 4.340 -0.000 0.000 0.209 55 Q C 1.443 177.383 176.000 -0.100 0.000 0.977 55 Q CA 1.326 57.021 55.803 -0.179 0.000 0.885 55 Q CB -0.065 28.598 28.738 -0.125 0.000 0.941 55 Q HN 0.434 nan 8.270 nan 0.000 0.464 56 L N 0.723 121.882 121.223 -0.107 0.000 2.592 56 L HA 0.228 4.568 4.340 -0.000 0.000 0.227 56 L C 0.862 177.732 176.870 -0.000 0.000 1.127 56 L CA -0.273 54.541 54.840 -0.045 0.000 0.884 56 L CB 0.536 42.566 42.059 -0.047 0.000 1.065 56 L HN 0.024 nan 8.230 nan 0.000 0.457 57 S N -0.356 115.353 115.700 0.014 0.000 2.429 57 S HA 0.169 4.639 4.470 -0.000 0.000 0.302 57 S C 1.245 175.916 174.600 0.119 0.000 1.115 57 S CA -0.471 57.788 58.200 0.099 0.000 1.095 57 S CB 1.234 64.553 63.200 0.197 0.000 0.987 57 S HN 0.316 nan 8.310 nan 0.000 0.474 58 S N 2.993 118.750 115.700 0.095 0.000 2.481 58 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 58 S C 1.378 176.040 174.600 0.103 0.000 0.996 58 S CA 1.040 59.292 58.200 0.086 0.000 0.942 58 S CB -0.655 62.579 63.200 0.058 0.000 0.768 58 S HN 0.840 nan 8.310 nan 0.000 0.520 59 T N -2.219 112.411 114.554 0.128 0.000 3.086 59 T HA 0.223 4.573 4.350 -0.000 0.000 0.250 59 T C 0.218 175.014 174.700 0.160 0.000 1.074 59 T CA -0.601 61.571 62.100 0.119 0.000 0.988 59 T CB -0.697 68.233 68.868 0.102 0.000 0.988 59 T HN 0.430 nan 8.240 nan 0.000 0.530 60 Y N 3.216 123.567 120.300 0.084 0.000 2.620 60 Y HA 0.368 4.918 4.550 -0.000 0.000 0.330 60 Y C 0.141 176.082 175.900 0.067 0.000 1.186 60 Y CA -0.974 57.184 58.100 0.098 0.000 1.467 60 Y CB 0.372 38.872 38.460 0.067 0.000 1.262 60 Y HN 0.031 nan 8.280 nan 0.000 0.550 61 R N 4.814 124.891 120.500 -0.705 0.000 2.439 61 R HA 0.175 4.515 4.340 -0.000 0.000 0.310 61 R C -1.468 174.297 176.300 -0.891 0.000 0.955 61 R CA -0.993 54.732 56.100 -0.625 0.000 0.853 61 R CB 1.090 31.244 30.300 -0.243 0.000 1.171 61 R HN 0.636 nan 8.270 nan 0.000 0.449 62 D N 3.666 123.661 120.400 -0.676 0.000 2.316 62 D HA 0.086 4.726 4.640 -0.000 0.000 0.245 62 D C 0.644 176.875 176.300 -0.116 0.000 1.171 62 D CA -0.186 53.624 54.000 -0.316 0.000 0.856 62 D CB 1.162 41.932 40.800 -0.049 0.000 1.090 62 D HN 0.479 nan 8.370 nan 0.000 0.476 63 L N 3.547 124.744 121.223 -0.045 0.000 2.599 63 L HA 0.167 4.506 4.340 -0.000 0.000 0.230 63 L C 1.051 177.934 176.870 0.022 0.000 1.141 63 L CA -0.072 54.765 54.840 -0.004 0.000 0.877 63 L CB -0.186 41.887 42.059 0.023 0.000 1.009 63 L HN 0.445 nan 8.230 nan 0.000 0.447 64 R N 0.849 121.370 120.500 0.036 0.000 3.322 64 R HA -0.209 4.131 4.340 -0.000 0.000 0.253 64 R C -0.038 176.288 176.300 0.043 0.000 0.987 64 R CA 0.727 56.852 56.100 0.042 0.000 0.666 64 R CB -1.483 28.833 30.300 0.027 0.000 1.072 64 R HN 0.281 nan 8.270 nan 0.000 0.447 65 K N -0.305 120.129 120.400 0.057 0.000 2.525 65 K HA 0.454 4.774 4.320 -0.000 0.000 0.254 65 K C -0.129 176.516 176.600 0.074 0.000 0.934 65 K CA -0.148 56.173 56.287 0.056 0.000 0.802 65 K CB 1.811 34.342 32.500 0.051 0.000 1.295 65 K HN 0.145 nan 8.250 nan 0.000 0.433 66 G N 1.139 109.978 108.800 0.065 0.000 2.502 66 G HA2 0.573 4.533 3.960 -0.000 0.000 0.305 66 G HA3 0.573 4.533 3.960 -0.000 0.000 0.305 66 G C -1.299 173.651 174.900 0.082 0.000 1.190 66 G CA -0.537 44.610 45.100 0.079 0.000 0.933 66 G HN 0.403 nan 8.290 nan 0.000 0.503 67 V N 0.138 120.110 119.914 0.097 0.000 2.851 67 V HA 0.638 4.758 4.120 -0.000 0.000 0.307 67 V C -2.078 174.020 176.094 0.007 0.000 1.129 67 V CA -0.935 61.397 62.300 0.054 0.000 0.932 67 V CB 1.840 33.715 31.823 0.086 0.000 1.024 67 V HN 0.794 nan 8.190 nan 0.000 0.426 68 Y N 5.676 125.845 120.300 -0.219 0.000 2.331 68 Y HA 0.747 5.297 4.550 -0.000 0.000 0.334 68 Y C -0.934 174.695 175.900 -0.452 0.000 0.960 68 Y CA -0.900 57.021 58.100 -0.298 0.000 1.130 68 Y CB 2.105 40.461 38.460 -0.173 0.000 1.164 68 Y HN 0.402 nan 8.280 nan 0.000 0.458 69 V N 9.604 128.768 119.914 -1.251 0.000 2.276 69 V HA 0.371 4.491 4.120 -0.000 0.000 0.268 69 V C -2.434 173.019 176.094 -1.069 0.000 1.032 69 V CA -1.493 60.077 62.300 -1.218 0.000 0.810 69 V CB 0.901 31.689 31.823 -1.724 0.000 1.060 69 V HN 0.645 nan 8.190 nan 0.000 0.446 70 P HA 0.540 nan 4.420 nan 0.000 0.290 70 P C -1.612 175.524 177.300 -0.273 0.000 1.275 70 P CA -0.282 62.406 63.100 -0.687 0.000 0.841 70 P CB 1.818 33.186 31.700 -0.554 0.000 1.042 71 Y N -2.290 117.916 120.300 -0.157 0.000 2.644 71 Y HA 0.440 4.990 4.550 -0.000 0.000 0.338 71 Y C 1.684 177.576 175.900 -0.013 0.000 1.119 71 Y CA -0.587 57.475 58.100 -0.063 0.000 1.060 71 Y CB -0.612 37.839 38.460 -0.015 0.000 1.294 71 Y HN 0.441 nan 8.280 nan 0.000 0.472 72 T N -1.684 113.025 114.554 0.259 0.000 2.360 72 T HA -0.394 3.956 4.350 -0.000 0.000 0.226 72 T C 0.802 175.571 174.700 0.114 0.000 1.465 72 T CA 2.225 64.422 62.100 0.161 0.000 1.117 72 T CB -0.657 68.308 68.868 0.161 0.000 0.844 72 T HN 0.778 nan 8.240 nan 0.000 0.424 73 Q N 2.409 122.336 119.800 0.212 0.000 2.842 73 Q HA 0.493 4.833 4.340 -0.000 0.000 0.323 73 Q C 0.128 176.150 176.000 0.037 0.000 1.111 73 Q CA 0.038 55.910 55.803 0.116 0.000 1.047 73 Q CB -0.135 28.690 28.738 0.146 0.000 1.280 73 Q HN 0.918 nan 8.270 nan 0.000 0.475 74 G N 1.376 109.988 108.800 -0.313 0.000 2.302 74 G HA2 0.105 4.065 3.960 -0.000 0.000 0.276 74 G HA3 0.105 4.065 3.960 -0.000 0.000 0.276 74 G C -1.794 172.367 174.900 -1.231 0.000 1.316 74 G CA -0.303 44.472 45.100 -0.541 0.000 0.988 74 G HN 0.402 nan 8.290 nan 0.000 0.479 75 K N -1.839 118.013 120.400 -0.913 0.000 3.238 75 K HA 0.678 4.998 4.320 -0.000 0.000 0.324 75 K C -1.402 175.130 176.600 -0.114 0.000 1.064 75 K CA -0.360 55.517 56.287 -0.683 0.000 0.782 75 K CB 0.299 32.473 32.500 -0.543 0.000 1.465 75 K HN 2.125 nan 8.250 nan 0.000 0.412 76 W N 0.272 121.403 121.300 -0.281 0.000 3.213 76 W HA 0.713 5.373 4.660 -0.000 0.000 0.318 76 W C -1.694 174.721 176.519 -0.173 0.000 1.248 76 W CA -0.486 56.684 57.345 -0.291 0.000 1.187 76 W CB 1.351 30.390 29.460 -0.702 0.000 1.403 76 W HN 0.960 nan 8.180 nan 0.000 0.556 77 E N 1.763 122.131 120.200 0.279 0.000 2.390 77 E HA 0.797 5.147 4.350 -0.000 0.000 0.277 77 E C -0.890 175.924 176.600 0.357 0.000 0.939 77 E CA -0.828 55.701 56.400 0.214 0.000 0.769 77 E CB 2.437 32.278 29.700 0.234 0.000 1.251 77 E HN 0.771 nan 8.360 nan 0.000 0.450 78 G N 1.121 110.120 108.800 0.331 0.000 2.650 78 G HA2 0.419 4.379 3.960 -0.000 0.000 0.310 78 G HA3 0.419 4.379 3.960 -0.000 0.000 0.310 78 G C -1.498 173.524 174.900 0.204 0.000 1.270 78 G CA -0.789 44.474 45.100 0.272 0.000 0.810 78 G HN 0.489 nan 8.290 nan 0.000 0.493 79 E N -0.063 120.243 120.200 0.178 0.000 2.187 79 E HA 0.496 4.846 4.350 -0.000 0.000 0.268 79 E C -0.598 176.111 176.600 0.181 0.000 0.896 79 E CA -0.525 55.968 56.400 0.155 0.000 0.766 79 E CB 2.627 32.403 29.700 0.127 0.000 1.142 79 E HN 0.265 nan 8.360 nan 0.000 0.408 80 L N 2.035 123.355 121.223 0.162 0.000 2.395 80 L HA 0.648 4.988 4.340 -0.000 0.000 0.269 80 L C 0.711 177.673 176.870 0.153 0.000 1.133 80 L CA 0.044 54.979 54.840 0.158 0.000 0.812 80 L CB 0.867 43.002 42.059 0.126 0.000 1.125 80 L HN 0.732 nan 8.230 nan 0.000 0.452 81 G N 0.218 109.110 108.800 0.153 0.000 2.430 81 G HA2 0.526 4.486 3.960 -0.000 0.000 0.300 81 G HA3 0.526 4.486 3.960 -0.000 0.000 0.300 81 G C -1.284 173.678 174.900 0.102 0.000 1.330 81 G CA -0.029 45.123 45.100 0.087 0.000 0.813 81 G HN 0.615 nan 8.290 nan 0.000 0.487 82 T N -2.029 112.545 114.554 0.033 0.000 2.901 82 T HA 0.801 5.150 4.350 -0.000 0.000 0.293 82 T C -1.424 173.354 174.700 0.129 0.000 1.084 82 T CA -0.559 61.596 62.100 0.091 0.000 1.008 82 T CB 2.956 71.854 68.868 0.050 0.000 1.170 82 T HN 0.709 nan 8.240 nan 0.000 0.509 83 D N -0.312 120.186 120.400 0.164 0.000 2.692 83 D HA 0.328 4.968 4.640 -0.000 0.000 0.290 83 D C -1.072 175.317 176.300 0.148 0.000 1.281 83 D CA -0.623 53.488 54.000 0.184 0.000 0.804 83 D CB 1.764 42.737 40.800 0.288 0.000 1.331 83 D HN 0.679 nan 8.370 nan 0.000 0.432 84 L N 1.057 122.357 121.223 0.129 0.000 2.349 84 L HA 0.530 4.870 4.340 -0.000 0.000 0.275 84 L C -0.180 176.761 176.870 0.118 0.000 1.115 84 L CA -0.580 54.322 54.840 0.103 0.000 0.820 84 L CB 1.250 43.355 42.059 0.077 0.000 1.135 84 L HN 0.097 nan 8.230 nan 0.000 0.445 85 V N 1.995 121.991 119.914 0.135 0.000 2.789 85 V HA 0.589 4.709 4.120 -0.000 0.000 0.311 85 V C -0.344 175.821 176.094 0.118 0.000 1.073 85 V CA -0.450 61.943 62.300 0.154 0.000 0.921 85 V CB 2.222 34.210 31.823 0.275 0.000 1.009 85 V HN 0.857 nan 8.190 nan 0.000 0.426 86 S N 3.169 118.910 115.700 0.068 0.000 2.618 86 S HA 0.754 5.223 4.470 -0.000 0.000 0.277 86 S C -0.957 173.646 174.600 0.006 0.000 1.138 86 S CA -0.586 57.640 58.200 0.043 0.000 0.844 86 S CB 2.056 65.269 63.200 0.022 0.000 1.127 86 S HN 0.553 nan 8.310 nan 0.000 0.474 87 I N 2.370 122.943 120.570 0.004 0.000 2.466 87 I HA 0.280 4.450 4.170 -0.000 0.000 0.279 87 I C -2.105 173.995 176.117 -0.027 0.000 1.033 87 I CA -2.138 59.155 61.300 -0.013 0.000 1.123 87 I CB 1.986 39.987 38.000 0.000 0.000 1.237 87 I HN 0.383 nan 8.210 nan 0.000 0.460 88 P HA -0.196 nan 4.420 nan 0.000 0.217 88 P C 0.414 177.507 177.300 -0.345 0.000 1.158 88 P CA 1.593 64.554 63.100 -0.232 0.000 0.887 88 P CB 0.054 31.573 31.700 -0.302 0.000 0.792 89 H N -0.911 118.185 119.070 0.042 0.000 2.483 89 H HA 0.555 5.111 4.556 -0.000 0.000 0.224 89 H C 0.913 176.275 175.328 0.056 0.000 1.690 89 H CA 0.076 56.154 56.048 0.050 0.000 1.217 89 H CB -0.196 29.594 29.762 0.047 0.000 1.619 89 H HN 0.130 nan 8.280 nan 0.000 0.528 90 G N 1.033 109.895 108.800 0.102 0.000 2.815 90 G HA2 0.276 4.236 3.960 -0.000 0.000 0.305 90 G HA3 0.276 4.236 3.960 -0.000 0.000 0.305 90 G C -2.751 172.208 174.900 0.098 0.000 1.277 90 G CA -1.097 44.065 45.100 0.104 0.000 0.795 90 G HN -0.014 nan 8.290 nan 0.000 0.528 91 P HA 0.111 nan 4.420 nan 0.000 0.269 91 P C -0.691 176.642 177.300 0.056 0.000 1.215 91 P CA -0.258 62.898 63.100 0.093 0.000 0.780 91 P CB 0.792 32.542 31.700 0.082 0.000 0.898 92 N N 1.726 120.457 118.700 0.051 0.000 3.178 92 N HA 0.189 4.929 4.740 -0.000 0.000 0.300 92 N C -0.482 175.037 175.510 0.016 0.000 1.242 92 N CA -0.148 52.919 53.050 0.029 0.000 1.192 92 N CB -0.972 37.533 38.487 0.030 0.000 1.463 92 N HN 0.220 nan 8.380 nan 0.000 0.539 93 V N -1.644 118.275 119.914 0.008 0.000 3.160 93 V HA 0.735 4.855 4.120 -0.000 0.000 0.310 93 V C -0.091 175.999 176.094 -0.006 0.000 1.181 93 V CA -0.776 61.517 62.300 -0.011 0.000 1.047 93 V CB 1.903 33.704 31.823 -0.037 0.000 1.068 93 V HN 0.091 nan 8.190 nan 0.000 0.441 94 T N 1.853 116.396 114.554 -0.017 0.000 2.881 94 T HA 0.757 5.107 4.350 -0.000 0.000 0.290 94 T C -0.611 174.074 174.700 -0.025 0.000 1.000 94 T CA -0.280 61.819 62.100 -0.001 0.000 0.978 94 T CB 1.448 70.320 68.868 0.006 0.000 0.997 94 T HN 1.664 nan 8.240 nan 0.000 0.443 95 V N 1.385 121.292 119.914 -0.010 0.000 2.876 95 V HA 0.759 4.879 4.120 -0.000 0.000 0.312 95 V C -0.531 175.564 176.094 0.002 0.000 1.085 95 V CA -1.453 60.813 62.300 -0.058 0.000 0.945 95 V CB 1.965 33.676 31.823 -0.187 0.000 1.017 95 V HN 0.853 nan 8.190 nan 0.000 0.428 96 R N 2.801 123.293 120.500 -0.013 0.000 2.221 96 R HA 0.807 5.147 4.340 -0.000 0.000 0.327 96 R C -0.254 176.069 176.300 0.039 0.000 1.033 96 R CA 0.453 56.572 56.100 0.032 0.000 0.887 96 R CB 0.917 31.227 30.300 0.017 0.000 1.057 96 R HN 1.296 nan 8.270 nan 0.000 0.455 97 A N 4.011 126.906 122.820 0.124 0.000 2.479 97 A HA 0.436 4.756 4.320 -0.000 0.000 0.296 97 A C -1.102 176.615 177.584 0.222 0.000 1.121 97 A CA -1.083 51.057 52.037 0.172 0.000 0.743 97 A CB 1.335 20.518 19.000 0.306 0.000 1.323 97 A HN 0.774 nan 8.150 nan 0.000 0.415 98 N N 0.380 119.210 118.700 0.216 0.000 2.492 98 N HA 0.385 5.124 4.740 -0.000 0.000 0.262 98 N C -0.888 174.784 175.510 0.270 0.000 1.202 98 N CA 0.682 53.854 53.050 0.204 0.000 0.926 98 N CB 0.555 39.148 38.487 0.175 0.000 1.078 98 N HN 0.512 nan 8.380 nan 0.000 0.454 99 I N 0.798 121.472 120.570 0.172 0.000 2.534 99 I HA 0.308 4.478 4.170 -0.000 0.000 0.288 99 I C -0.460 175.695 176.117 0.062 0.000 1.077 99 I CA -0.987 60.324 61.300 0.018 0.000 1.051 99 I CB 1.981 39.936 38.000 -0.076 0.000 1.234 99 I HN 0.362 nan 8.210 nan 0.000 0.425 100 A N 4.927 127.743 122.820 -0.008 0.000 2.252 100 A HA 0.778 5.098 4.320 -0.000 0.000 0.309 100 A C 0.195 177.794 177.584 0.026 0.000 1.285 100 A CA -0.448 51.644 52.037 0.091 0.000 0.900 100 A CB 0.660 19.782 19.000 0.204 0.000 1.157 100 A HN 0.804 nan 8.150 nan 0.000 0.536 101 A N 3.970 126.873 122.820 0.139 0.000 2.376 101 A HA 0.523 4.843 4.320 -0.000 0.000 0.298 101 A C 0.103 177.759 177.584 0.119 0.000 1.271 101 A CA -0.279 51.846 52.037 0.147 0.000 0.926 101 A CB -0.478 18.607 19.000 0.142 0.000 1.141 101 A HN 0.769 nan 8.150 nan 0.000 0.539 102 I N 3.612 124.233 120.570 0.084 0.000 2.505 102 I HA 0.044 4.214 4.170 -0.000 0.000 0.287 102 I C 1.554 177.756 176.117 0.141 0.000 1.104 102 I CA 0.338 61.716 61.300 0.130 0.000 1.387 102 I CB 0.949 39.007 38.000 0.098 0.000 1.404 102 I HN 0.852 nan 8.210 nan 0.000 0.528 103 T N 1.285 115.925 114.554 0.144 0.000 2.990 103 T HA 0.250 4.600 4.350 -0.000 0.000 0.249 103 T C 0.532 175.301 174.700 0.114 0.000 1.039 103 T CA -0.041 62.114 62.100 0.092 0.000 1.036 103 T CB 0.456 69.365 68.868 0.068 0.000 0.994 103 T HN 0.421 nan 8.240 nan 0.000 0.489 104 E N 1.594 121.891 120.200 0.162 0.000 2.308 104 E HA 0.601 4.951 4.350 -0.000 0.000 0.275 104 E C -1.263 175.458 176.600 0.202 0.000 0.890 104 E CA -0.493 56.005 56.400 0.163 0.000 0.754 104 E CB 2.392 32.166 29.700 0.123 0.000 1.207 104 E HN 0.451 nan 8.360 nan 0.000 0.426 105 S N 0.773 116.603 115.700 0.217 0.000 2.547 105 S HA 0.596 5.066 4.470 -0.000 0.000 0.270 105 S C -1.486 173.243 174.600 0.216 0.000 1.150 105 S CA -1.026 57.301 58.200 0.212 0.000 0.850 105 S CB 2.355 65.689 63.200 0.223 0.000 1.118 105 S HN 0.361 nan 8.310 nan 0.000 0.461 106 D N 0.591 121.096 120.400 0.174 0.000 2.686 106 D HA 0.442 5.082 4.640 -0.000 0.000 0.249 106 D C -0.795 175.625 176.300 0.200 0.000 1.260 106 D CA -0.478 53.613 54.000 0.152 0.000 0.910 106 D CB 0.710 41.541 40.800 0.051 0.000 1.323 106 D HN 0.712 nan 8.370 nan 0.000 0.561 107 K N 2.285 122.843 120.400 0.264 0.000 3.071 107 K HA -0.255 4.065 4.320 -0.000 0.000 0.265 107 K C -0.106 176.749 176.600 0.425 0.000 1.060 107 K CA 0.538 57.004 56.287 0.299 0.000 0.767 107 K CB -1.539 31.108 32.500 0.245 0.000 1.241 107 K HN 0.441 nan 8.250 nan 0.000 0.486 108 F N 0.138 120.201 119.950 0.189 0.000 2.479 108 F HA 0.280 4.806 4.527 -0.000 0.000 0.280 108 F C 0.491 176.209 175.800 -0.137 0.000 0.982 108 F CA -0.071 57.975 58.000 0.077 0.000 1.276 108 F CB 0.523 39.461 39.000 -0.102 0.000 1.137 108 F HN -0.024 nan 8.300 nan 0.000 0.660 109 F N 3.537 123.497 119.950 0.018 0.000 2.439 109 F HA 0.246 4.773 4.527 -0.000 0.000 0.356 109 F C -0.082 175.677 175.800 -0.068 0.000 1.161 109 F CA -0.701 57.115 58.000 -0.306 0.000 1.151 109 F CB 0.082 38.867 39.000 -0.360 0.000 1.222 109 F HN -0.228 nan 8.300 nan 0.000 0.558 110 I N 3.303 123.748 120.570 -0.209 0.000 2.441 110 I HA -0.020 4.150 4.170 -0.000 0.000 0.287 110 I C 0.615 176.446 176.117 -0.476 0.000 1.049 110 I CA -0.422 60.740 61.300 -0.230 0.000 1.381 110 I CB 0.596 38.447 38.000 -0.249 0.000 1.409 110 I HN 0.598 nan 8.210 nan 0.000 0.523 111 N N 4.560 122.684 118.700 -0.961 0.000 2.414 111 N HA -0.010 4.730 4.740 -0.000 0.000 0.268 111 N C 1.090 176.252 175.510 -0.580 0.000 1.286 111 N CA 1.061 53.318 53.050 -1.322 0.000 0.896 111 N CB 0.427 37.965 38.487 -1.581 0.000 1.093 111 N HN 0.949 nan 8.380 nan 0.000 0.480 112 G N 1.908 110.466 108.800 -0.403 0.000 2.195 112 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.246 112 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.246 112 G C 0.986 175.746 174.900 -0.234 0.000 0.984 112 G CA 0.636 45.584 45.100 -0.255 0.000 0.633 112 G HN 0.786 nan 8.290 nan 0.000 0.525 113 S N 0.117 115.614 115.700 -0.338 0.000 2.399 113 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 113 S C 1.448 175.880 174.600 -0.281 0.000 1.022 113 S CA 1.823 59.814 58.200 -0.349 0.000 0.983 113 S CB -0.478 62.303 63.200 -0.698 0.000 0.803 113 S HN 1.398 nan 8.310 nan 0.000 0.480 114 N N -0.599 117.890 118.700 -0.352 0.000 2.980 114 N HA -0.113 4.627 4.740 -0.000 0.000 0.213 114 N C -0.147 175.072 175.510 -0.485 0.000 0.892 114 N CA 1.171 54.022 53.050 -0.331 0.000 1.025 114 N CB -1.498 36.875 38.487 -0.191 0.000 1.030 114 N HN 0.848 nan 8.380 nan 0.000 0.585 115 W N 1.024 122.070 121.300 -0.423 0.000 2.448 115 W HA 0.587 5.247 4.660 -0.000 0.000 0.339 115 W C 0.130 176.569 176.519 -0.133 0.000 1.124 115 W CA -0.396 56.718 57.345 -0.386 0.000 1.262 115 W CB 0.457 29.754 29.460 -0.271 0.000 1.251 115 W HN -0.044 nan 8.180 nan 0.000 0.597 116 E N 1.046 121.409 120.200 0.272 0.000 2.562 116 E HA 0.344 4.694 4.350 -0.000 0.000 0.214 116 E C 0.593 177.449 176.600 0.426 0.000 0.979 116 E CA -0.036 56.483 56.400 0.199 0.000 1.002 116 E CB 1.284 30.996 29.700 0.020 0.000 1.048 116 E HN 0.623 nan 8.360 nan 0.000 0.488 117 G N 0.328 109.429 108.800 0.500 0.000 2.600 117 G HA2 0.574 4.534 3.960 -0.000 0.000 0.293 117 G HA3 0.574 4.534 3.960 -0.000 0.000 0.293 117 G C -1.861 173.079 174.900 0.066 0.000 1.408 117 G CA -0.713 44.572 45.100 0.308 0.000 0.782 117 G HN 0.069 nan 8.290 nan 0.000 0.482 118 I N -0.262 120.300 120.570 -0.013 0.000 2.582 118 I HA 0.674 4.844 4.170 -0.000 0.000 0.292 118 I C -1.605 174.528 176.117 0.028 0.000 1.066 118 I CA -1.240 59.969 61.300 -0.151 0.000 1.053 118 I CB 2.061 39.989 38.000 -0.118 0.000 1.241 118 I HN 0.470 nan 8.210 nan 0.000 0.421 119 L N 7.985 129.162 121.223 -0.077 0.000 2.301 119 L HA 0.644 4.984 4.340 -0.000 0.000 0.278 119 L C -0.034 176.763 176.870 -0.121 0.000 1.022 119 L CA -0.034 54.740 54.840 -0.110 0.000 0.854 119 L CB 0.964 42.822 42.059 -0.334 0.000 1.226 119 L HN 0.633 nan 8.230 nan 0.000 0.429 120 G N 5.087 113.876 108.800 -0.019 0.000 2.360 120 G HA2 0.377 4.337 3.960 -0.000 0.000 0.279 120 G HA3 0.377 4.337 3.960 -0.000 0.000 0.279 120 G C 0.431 175.302 174.900 -0.048 0.000 1.189 120 G CA -0.399 44.691 45.100 -0.017 0.000 0.941 120 G HN 0.744 nan 8.290 nan 0.000 0.445 121 L N 1.995 123.152 121.223 -0.111 0.000 2.607 121 L HA 0.254 4.594 4.340 -0.000 0.000 0.228 121 L C 1.913 178.749 176.870 -0.056 0.000 1.123 121 L CA -0.115 54.628 54.840 -0.162 0.000 0.890 121 L CB -0.059 41.724 42.059 -0.461 0.000 1.103 121 L HN 0.583 nan 8.230 nan 0.000 0.468 122 A N -0.808 121.972 122.820 -0.068 0.000 2.251 122 A HA 0.375 4.695 4.320 -0.000 0.000 0.278 122 A C -0.578 176.782 177.584 -0.375 0.000 1.206 122 A CA -0.161 51.689 52.037 -0.312 0.000 0.822 122 A CB 0.015 18.892 19.000 -0.206 0.000 1.187 122 A HN 0.093 nan 8.150 nan 0.000 0.504 123 Y N -1.559 118.633 120.300 -0.181 0.000 2.298 123 Y HA 0.401 4.951 4.550 -0.000 0.000 0.329 123 Y C 1.721 177.605 175.900 -0.027 0.000 1.293 123 Y CA 0.271 58.332 58.100 -0.065 0.000 1.388 123 Y CB 0.605 39.034 38.460 -0.052 0.000 1.309 123 Y HN 0.672 nan 8.280 nan 0.000 0.544 124 A N 0.516 123.457 122.820 0.203 0.000 1.940 124 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 124 A C 2.025 179.667 177.584 0.096 0.000 1.176 124 A CA 2.000 54.111 52.037 0.123 0.000 0.631 124 A CB -0.901 18.168 19.000 0.116 0.000 0.814 124 A HN 0.962 nan 8.150 nan 0.000 0.446 125 E N 0.256 120.525 120.200 0.114 0.000 2.187 125 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 125 E C 1.487 178.136 176.600 0.081 0.000 1.004 125 E CA 1.673 58.130 56.400 0.096 0.000 0.813 125 E CB -0.330 29.445 29.700 0.125 0.000 0.736 125 E HN 0.834 nan 8.360 nan 0.000 0.468 126 I N -2.349 118.238 120.570 0.028 0.000 3.904 126 I HA 0.408 4.578 4.170 -0.000 0.000 0.333 126 I C 0.526 176.626 176.117 -0.027 0.000 1.361 126 I CA -0.586 60.681 61.300 -0.054 0.000 1.116 126 I CB 0.341 38.144 38.000 -0.328 0.000 1.028 126 I HN -0.054 nan 8.210 nan 0.000 0.398 127 A N 1.852 124.685 122.820 0.021 0.000 2.386 127 A HA 0.614 4.934 4.320 -0.000 0.000 0.248 127 A C 0.100 177.707 177.584 0.039 0.000 1.082 127 A CA -0.300 51.766 52.037 0.047 0.000 0.789 127 A CB 0.428 19.472 19.000 0.074 0.000 1.025 127 A HN 0.343 nan 8.150 nan 0.000 0.490 128 R N 1.275 121.802 120.500 0.044 0.000 2.589 128 R HA 0.387 4.727 4.340 -0.000 0.000 0.293 128 R C -2.299 174.028 176.300 0.044 0.000 0.963 128 R CA -2.348 53.756 56.100 0.006 0.000 0.905 128 R CB 0.673 30.922 30.300 -0.086 0.000 1.144 128 R HN 0.391 nan 8.270 nan 0.000 0.459 129 P HA -0.120 nan 4.420 nan 0.000 0.218 129 P C -0.617 176.698 177.300 0.025 0.000 1.149 129 P CA 1.326 64.438 63.100 0.021 0.000 0.817 129 P CB 0.368 32.088 31.700 0.033 0.000 0.785 130 D N -3.983 116.439 120.400 0.036 0.000 2.779 130 D HA 0.044 4.684 4.640 -0.000 0.000 0.331 130 D C -0.228 176.100 176.300 0.045 0.000 1.331 130 D CA -0.684 53.338 54.000 0.037 0.000 0.866 130 D CB -0.416 40.404 40.800 0.033 0.000 1.409 130 D HN -0.208 nan 8.370 nan 0.000 0.486 131 D N -0.523 119.904 120.400 0.044 0.000 2.392 131 D HA -0.125 4.514 4.640 -0.000 0.000 0.228 131 D C 1.057 177.387 176.300 0.050 0.000 1.003 131 D CA 0.867 54.897 54.000 0.051 0.000 0.917 131 D CB -0.336 40.492 40.800 0.047 0.000 0.890 131 D HN 0.305 nan 8.370 nan 0.000 0.532 132 S N -0.566 115.161 115.700 0.046 0.000 2.558 132 S HA 0.021 4.491 4.470 -0.000 0.000 0.217 132 S C 0.833 175.464 174.600 0.052 0.000 0.975 132 S CA -0.617 57.609 58.200 0.043 0.000 0.912 132 S CB -0.350 62.872 63.200 0.035 0.000 0.776 132 S HN 0.176 nan 8.310 nan 0.000 0.526 133 L N 3.365 124.626 121.223 0.063 0.000 2.302 133 L HA 0.392 4.732 4.340 -0.000 0.000 0.285 133 L C 0.144 177.066 176.870 0.087 0.000 1.090 133 L CA -0.284 54.603 54.840 0.079 0.000 0.866 133 L CB 0.272 42.387 42.059 0.094 0.000 1.244 133 L HN 0.293 nan 8.230 nan 0.000 0.435 134 E N 6.387 126.633 120.200 0.077 0.000 2.493 134 E HA 0.074 4.424 4.350 -0.000 0.000 0.255 134 E C -2.138 174.520 176.600 0.096 0.000 0.999 134 E CA -1.330 55.114 56.400 0.074 0.000 0.934 134 E CB 0.562 30.291 29.700 0.048 0.000 0.940 134 E HN 0.425 nan 8.360 nan 0.000 0.473 135 P HA -0.043 nan 4.420 nan 0.000 0.270 135 P C -0.057 177.318 177.300 0.125 0.000 1.223 135 P CA -0.159 63.020 63.100 0.131 0.000 0.785 135 P CB 0.367 32.131 31.700 0.107 0.000 0.923 136 F N 1.787 121.746 119.950 0.015 0.000 2.065 136 F HA -0.239 4.287 4.527 -0.000 0.000 0.298 136 F C 1.978 177.737 175.800 -0.068 0.000 1.112 136 F CA 1.552 59.511 58.000 -0.069 0.000 1.212 136 F CB -0.713 38.141 39.000 -0.242 0.000 0.975 136 F HN 0.201 nan 8.300 nan 0.000 0.476 137 F N 1.341 121.233 119.950 -0.097 0.000 2.216 137 F HA -0.216 4.311 4.527 -0.000 0.000 0.300 137 F C 2.343 178.030 175.800 -0.189 0.000 1.085 137 F CA 2.038 59.928 58.000 -0.182 0.000 1.326 137 F CB -0.576 38.394 39.000 -0.050 0.000 1.027 137 F HN 0.068 nan 8.300 nan 0.000 0.497 138 D N -0.985 119.412 120.400 -0.005 0.000 2.144 138 D HA -0.137 4.502 4.640 -0.000 0.000 0.200 138 D C 2.339 178.545 176.300 -0.156 0.000 0.978 138 D CA 1.521 55.510 54.000 -0.018 0.000 0.833 138 D CB -0.087 40.746 40.800 0.055 0.000 0.961 138 D HN 0.251 nan 8.370 nan 0.000 0.470 139 S N 1.047 116.604 115.700 -0.238 0.000 2.368 139 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 139 S C 1.937 176.298 174.600 -0.399 0.000 1.029 139 S CA 0.339 58.375 58.200 -0.274 0.000 0.988 139 S CB -0.232 62.805 63.200 -0.271 0.000 0.838 139 S HN 0.153 nan 8.310 nan 0.000 0.462 140 L N 2.033 122.858 121.223 -0.664 0.000 1.989 140 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 140 L C 2.202 178.795 176.870 -0.462 0.000 1.071 140 L CA 1.734 56.164 54.840 -0.684 0.000 0.749 140 L CB -0.821 40.638 42.059 -1.000 0.000 0.890 140 L HN 0.136 nan 8.230 nan 0.000 0.431 141 V N -0.356 119.293 119.914 -0.442 0.000 2.407 141 V HA -0.277 3.842 4.120 -0.000 0.000 0.248 141 V C 2.644 178.650 176.094 -0.146 0.000 1.055 141 V CA 1.996 64.150 62.300 -0.244 0.000 1.049 141 V CB -0.631 31.113 31.823 -0.132 0.000 0.662 141 V HN 0.460 nan 8.190 nan 0.000 0.455 142 K N -0.423 119.891 120.400 -0.142 0.000 2.097 142 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 142 K C 2.098 178.627 176.600 -0.118 0.000 1.050 142 K CA 1.346 57.575 56.287 -0.096 0.000 0.938 142 K CB -0.092 32.362 32.500 -0.077 0.000 0.718 142 K HN 0.532 nan 8.250 nan 0.000 0.442 143 Q N -0.066 119.637 119.800 -0.163 0.000 2.392 143 Q HA -0.005 4.335 4.340 -0.000 0.000 0.203 143 Q C 0.457 176.332 176.000 -0.208 0.000 0.917 143 Q CA 0.549 56.253 55.803 -0.164 0.000 0.939 143 Q CB 0.820 29.464 28.738 -0.157 0.000 1.063 143 Q HN 0.300 nan 8.270 nan 0.000 0.516 144 T N -4.497 109.919 114.554 -0.230 0.000 2.716 144 T HA 0.279 4.629 4.350 -0.000 0.000 0.286 144 T C -0.099 174.453 174.700 -0.247 0.000 1.052 144 T CA -0.786 61.149 62.100 -0.274 0.000 1.024 144 T CB 0.879 69.635 68.868 -0.187 0.000 1.349 144 T HN 0.098 nan 8.240 nan 0.000 0.525 145 H N -1.029 118.020 119.070 -0.035 0.000 2.520 145 H HA 0.467 5.023 4.556 -0.000 0.000 0.284 145 H C 0.240 175.567 175.328 -0.002 0.000 1.037 145 H CA -0.498 55.542 56.048 -0.013 0.000 1.168 145 H CB 0.311 30.074 29.762 0.002 0.000 1.497 145 H HN 0.225 nan 8.280 nan 0.000 0.547 146 V N 3.319 123.264 119.914 0.053 0.000 2.599 146 V HA -0.011 4.108 4.120 -0.000 0.000 0.300 146 V C -1.785 174.345 176.094 0.060 0.000 1.034 146 V CA -1.263 61.064 62.300 0.044 0.000 1.115 146 V CB 0.542 32.335 31.823 -0.050 0.000 0.934 146 V HN 0.198 nan 8.190 nan 0.000 0.485 147 P HA 0.057 nan 4.420 nan 0.000 0.269 147 P C -0.059 177.354 177.300 0.189 0.000 1.209 147 P CA -0.272 62.908 63.100 0.135 0.000 0.776 147 P CB 0.291 32.078 31.700 0.145 0.000 0.876 148 N N 2.864 121.686 118.700 0.204 0.000 3.103 148 N HA 0.161 4.900 4.740 -0.000 0.000 0.305 148 N C -0.881 174.841 175.510 0.354 0.000 1.232 148 N CA 0.354 53.605 53.050 0.335 0.000 1.190 148 N CB -1.229 37.406 38.487 0.246 0.000 1.461 148 N HN 0.348 nan 8.380 nan 0.000 0.538 149 L N 1.362 122.840 121.223 0.424 0.000 2.724 149 L HA 0.601 4.941 4.340 -0.000 0.000 0.258 149 L C -1.888 175.145 176.870 0.273 0.000 0.967 149 L CA -0.920 54.040 54.840 0.201 0.000 0.891 149 L CB 1.086 43.198 42.059 0.088 0.000 1.456 149 L HN 0.127 nan 8.230 nan 0.000 0.416 150 F N 1.102 121.011 119.950 -0.069 0.000 2.668 150 F HA 0.893 5.420 4.527 -0.000 0.000 0.309 150 F C -1.165 174.576 175.800 -0.099 0.000 1.117 150 F CA -0.330 57.612 58.000 -0.097 0.000 0.951 150 F CB 1.664 40.532 39.000 -0.219 0.000 1.323 150 F HN 0.511 nan 8.300 nan 0.000 0.451 151 S N 2.138 117.877 115.700 0.065 0.000 2.548 151 S HA 0.881 5.351 4.470 -0.000 0.000 0.286 151 S C -1.607 173.067 174.600 0.123 0.000 1.098 151 S CA -0.834 57.297 58.200 -0.116 0.000 0.930 151 S CB 1.952 64.930 63.200 -0.369 0.000 1.070 151 S HN 0.887 nan 8.310 nan 0.000 0.480 152 L N 1.642 122.909 121.223 0.074 0.000 2.386 152 L HA 0.600 4.939 4.340 -0.000 0.000 0.271 152 L C -0.525 176.463 176.870 0.198 0.000 0.993 152 L CA -0.448 54.486 54.840 0.157 0.000 0.819 152 L CB 2.178 44.327 42.059 0.150 0.000 1.294 152 L HN 0.783 nan 8.230 nan 0.000 0.414 153 Q N 4.431 124.333 119.800 0.168 0.000 2.394 153 Q HA 0.469 4.809 4.340 -0.000 0.000 0.261 153 Q C -1.730 174.211 176.000 -0.098 0.000 1.023 153 Q CA -0.510 55.359 55.803 0.109 0.000 0.720 153 Q CB 1.421 30.201 28.738 0.071 0.000 1.241 153 Q HN 0.621 nan 8.270 nan 0.000 0.483 154 L N 3.142 124.237 121.223 -0.214 0.000 2.276 154 L HA 0.475 4.814 4.340 -0.000 0.000 0.286 154 L C -0.564 176.083 176.870 -0.372 0.000 1.061 154 L CA -0.781 53.713 54.840 -0.577 0.000 0.807 154 L CB 1.238 42.852 42.059 -0.742 0.000 1.177 154 L HN 0.654 nan 8.230 nan 0.000 0.429 155 c N 3.182 121.595 118.600 -0.310 0.000 2.264 155 c HA 0.497 5.067 4.570 -0.000 0.000 0.322 155 c C 1.035 175.144 174.090 0.033 0.000 1.210 155 c CA -0.975 55.301 56.329 -0.088 0.000 1.539 155 c CB 0.176 42.657 42.510 -0.049 0.000 2.167 155 c HN 0.926 nan 8.230 nan 0.000 0.463 156 G N 1.791 110.599 108.800 0.014 0.000 2.432 156 G HA2 0.454 4.413 3.960 -0.000 0.000 0.257 156 G HA3 0.454 4.413 3.960 -0.000 0.000 0.257 156 G C 0.788 175.622 174.900 -0.111 0.000 1.238 156 G CA 0.232 45.343 45.100 0.018 0.000 0.838 156 G HN 0.970 nan 8.290 nan 0.000 0.547 157 A N 0.925 123.594 122.820 -0.251 0.000 2.067 157 A HA 0.423 4.743 4.320 -0.000 0.000 0.217 157 A C 2.149 179.394 177.584 -0.565 0.000 1.156 157 A CA 1.550 53.263 52.037 -0.540 0.000 0.683 157 A CB -0.423 17.975 19.000 -1.003 0.000 0.808 157 A HN 2.297 nan 8.150 nan 0.000 0.455 158 G N -2.227 106.382 108.800 -0.319 0.000 2.176 158 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.253 158 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.253 158 G C 0.106 175.079 174.900 0.120 0.000 0.979 158 G CA 0.468 45.531 45.100 -0.060 0.000 0.641 158 G HN 1.462 nan 8.290 nan 0.000 0.530 159 F N -1.638 118.356 119.950 0.074 0.000 2.686 159 F HA 0.807 5.334 4.527 -0.000 0.000 0.311 159 F C -2.654 173.153 175.800 0.011 0.000 1.128 159 F CA -2.633 55.394 58.000 0.046 0.000 0.946 159 F CB 0.582 39.603 39.000 0.035 0.000 1.336 159 F HN -0.014 nan 8.300 nan 0.000 0.457 160 P HA 0.300 nan 4.420 nan 0.000 0.271 160 P C -1.170 176.220 177.300 0.151 0.000 1.216 160 P CA -0.012 63.140 63.100 0.087 0.000 0.776 160 P CB 1.509 33.236 31.700 0.045 0.000 0.881 161 L N 3.222 124.472 121.223 0.045 0.000 2.313 161 L HA 0.377 4.717 4.340 -0.000 0.000 0.283 161 L C 1.254 178.142 176.870 0.030 0.000 1.013 161 L CA -0.821 54.053 54.840 0.058 0.000 0.816 161 L CB 1.249 43.301 42.059 -0.011 0.000 1.236 161 L HN 0.473 nan 8.230 nan 0.000 0.419 162 N N 1.486 120.211 118.700 0.041 0.000 2.445 162 N HA 0.033 4.773 4.740 -0.000 0.000 0.264 162 N C 0.575 176.086 175.510 0.003 0.000 1.227 162 N CA -0.718 52.340 53.050 0.014 0.000 0.963 162 N CB 1.085 39.581 38.487 0.015 0.000 1.188 162 N HN 0.546 nan 8.380 nan 0.000 0.491 163 Q N 0.877 120.670 119.800 -0.012 0.000 2.118 163 Q HA -0.272 4.068 4.340 -0.000 0.000 0.211 163 Q C 2.035 178.031 176.000 -0.006 0.000 0.998 163 Q CA 2.459 58.250 55.803 -0.019 0.000 0.872 163 Q CB -0.708 28.011 28.738 -0.032 0.000 0.925 163 Q HN 0.765 nan 8.270 nan 0.000 0.414 164 S N -1.145 114.554 115.700 -0.002 0.000 2.423 164 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 164 S C 1.584 176.194 174.600 0.018 0.000 1.014 164 S CA 1.287 59.490 58.200 0.005 0.000 0.965 164 S CB -0.166 63.036 63.200 0.003 0.000 0.785 164 S HN 0.537 nan 8.310 nan 0.000 0.495 165 E N 0.101 120.317 120.200 0.025 0.000 2.051 165 E HA -0.034 4.316 4.350 -0.000 0.000 0.189 165 E C 2.116 178.732 176.600 0.027 0.000 0.979 165 E CA 1.198 57.623 56.400 0.041 0.000 0.803 165 E CB -0.127 29.617 29.700 0.073 0.000 0.761 165 E HN 0.352 nan 8.360 nan 0.000 0.451 166 V N 1.615 121.537 119.914 0.013 0.000 2.469 166 V HA -0.258 3.862 4.120 -0.000 0.000 0.251 166 V C 2.231 178.341 176.094 0.026 0.000 1.064 166 V CA 1.417 63.717 62.300 0.000 0.000 1.066 166 V CB -0.441 31.382 31.823 0.001 0.000 0.667 166 V HN 0.271 nan 8.190 nan 0.000 0.461 167 L N 0.026 121.275 121.223 0.043 0.000 2.027 167 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 167 L C 2.604 179.498 176.870 0.041 0.000 1.074 167 L CA 1.635 56.511 54.840 0.061 0.000 0.745 167 L CB -0.669 41.416 42.059 0.043 0.000 0.898 167 L HN 0.353 nan 8.230 nan 0.000 0.433 168 A N -0.630 122.207 122.820 0.028 0.000 2.119 168 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 168 A C 1.310 178.904 177.584 0.016 0.000 1.152 168 A CA 0.681 52.731 52.037 0.022 0.000 0.708 168 A CB -0.302 18.711 19.000 0.023 0.000 0.805 168 A HN 0.457 nan 8.150 nan 0.000 0.460 169 S N -1.022 114.685 115.700 0.012 0.000 2.654 169 S HA 0.567 5.037 4.470 -0.000 0.000 0.283 169 S C -0.324 174.267 174.600 -0.016 0.000 1.180 169 S CA -0.692 57.511 58.200 0.006 0.000 1.021 169 S CB 1.505 64.714 63.200 0.015 0.000 1.018 169 S HN 0.143 nan 8.310 nan 0.000 0.532 170 V N 2.480 122.385 119.914 -0.014 0.000 2.427 170 V HA 0.389 4.508 4.120 -0.000 0.000 0.268 170 V C 1.427 177.518 176.094 -0.006 0.000 1.046 170 V CA 0.339 62.625 62.300 -0.023 0.000 0.970 170 V CB 0.445 32.255 31.823 -0.023 0.000 1.001 170 V HN 1.176 nan 8.190 nan 0.000 0.476 171 G N 3.105 111.908 108.800 0.005 0.000 3.042 171 G HA2 0.530 4.490 3.960 -0.000 0.000 0.212 171 G HA3 0.530 4.490 3.960 -0.000 0.000 0.212 171 G C 0.625 175.574 174.900 0.083 0.000 1.166 171 G CA 0.583 45.765 45.100 0.137 0.000 0.767 171 G HN 1.296 nan 8.290 nan 0.000 0.546 172 G N -1.001 107.792 108.800 -0.011 0.000 2.298 172 G HA2 0.308 4.268 3.960 -0.000 0.000 0.309 172 G HA3 0.308 4.268 3.960 -0.000 0.000 0.309 172 G C -0.933 173.943 174.900 -0.039 0.000 1.279 172 G CA -0.198 44.866 45.100 -0.061 0.000 1.042 172 G HN 0.772 nan 8.290 nan 0.000 0.480 173 S N -0.452 115.231 115.700 -0.027 0.000 2.541 173 S HA 0.717 5.187 4.470 -0.000 0.000 0.280 173 S C -0.423 174.209 174.600 0.052 0.000 1.112 173 S CA -0.365 57.845 58.200 0.016 0.000 0.925 173 S CB 1.779 64.997 63.200 0.030 0.000 1.067 173 S HN 0.974 nan 8.310 nan 0.000 0.479 174 M N 4.368 123.999 119.600 0.052 0.000 2.043 174 M HA 0.491 4.971 4.480 -0.000 0.000 0.322 174 M C -1.791 174.557 176.300 0.080 0.000 0.962 174 M CA -0.679 54.661 55.300 0.066 0.000 0.927 174 M CB 0.259 32.861 32.600 0.004 0.000 1.466 174 M HN 0.460 nan 8.290 nan 0.000 0.412 175 I N 6.441 127.070 120.570 0.099 0.000 2.297 175 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 175 I C -0.402 175.715 176.117 -0.000 0.000 1.033 175 I CA -0.524 60.773 61.300 -0.005 0.000 1.253 175 I CB 0.361 38.317 38.000 -0.073 0.000 1.396 175 I HN 0.660 nan 8.210 nan 0.000 0.476 176 I N 5.357 125.941 120.570 0.023 0.000 2.312 176 I HA 0.440 4.609 4.170 -0.000 0.000 0.291 176 I C 1.188 177.344 176.117 0.065 0.000 1.031 176 I CA 0.441 61.831 61.300 0.149 0.000 1.293 176 I CB 0.961 39.065 38.000 0.173 0.000 1.403 176 I HN 0.851 nan 8.210 nan 0.000 0.484 177 G N 3.540 112.434 108.800 0.156 0.000 2.175 177 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.244 177 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.244 177 G C 0.326 175.220 174.900 -0.009 0.000 0.982 177 G CA -0.193 44.976 45.100 0.115 0.000 0.641 177 G HN 1.179 nan 8.290 nan 0.000 0.527 178 G N -1.177 107.447 108.800 -0.294 0.000 2.634 178 G HA2 0.669 4.628 3.960 -0.000 0.000 0.309 178 G HA3 0.669 4.628 3.960 -0.000 0.000 0.309 178 G C -1.600 173.157 174.900 -0.238 0.000 1.299 178 G CA -0.443 44.463 45.100 -0.323 0.000 0.798 178 G HN 0.759 nan 8.290 nan 0.000 0.490 179 I N 0.963 121.572 120.570 0.065 0.000 2.478 179 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 179 I C -1.527 174.917 176.117 0.546 0.000 1.042 179 I CA -0.618 60.861 61.300 0.297 0.000 1.067 179 I CB 2.352 40.532 38.000 0.300 0.000 1.233 179 I HN 0.319 nan 8.210 nan 0.000 0.431 180 D N 5.215 125.932 120.400 0.527 0.000 2.373 180 D HA 0.187 4.826 4.640 -0.000 0.000 0.227 180 D C 0.912 177.408 176.300 0.327 0.000 1.091 180 D CA -0.265 54.005 54.000 0.450 0.000 0.840 180 D CB 0.876 41.864 40.800 0.312 0.000 1.060 180 D HN 0.463 nan 8.370 nan 0.000 0.502 181 H N 1.173 120.333 119.070 0.151 0.000 2.492 181 H HA -0.144 4.412 4.556 -0.000 0.000 0.296 181 H C 2.052 177.202 175.328 -0.298 0.000 1.095 181 H CA 1.711 57.701 56.048 -0.097 0.000 1.281 181 H CB 0.173 29.880 29.762 -0.091 0.000 1.374 181 H HN 0.366 nan 8.280 nan 0.000 0.545 182 S N -0.276 115.397 115.700 -0.045 0.000 2.515 182 S HA -0.021 4.448 4.470 -0.000 0.000 0.231 182 S C 1.685 176.183 174.600 -0.171 0.000 0.987 182 S CA 0.425 58.561 58.200 -0.106 0.000 0.936 182 S CB -0.266 62.908 63.200 -0.044 0.000 0.766 182 S HN 0.383 nan 8.310 nan 0.000 0.528 183 L N 0.308 121.375 121.223 -0.260 0.000 2.591 183 L HA 0.327 4.667 4.340 -0.000 0.000 0.228 183 L C 0.443 177.174 176.870 -0.233 0.000 1.133 183 L CA -0.216 54.404 54.840 -0.367 0.000 0.880 183 L CB -0.459 41.124 42.059 -0.793 0.000 1.033 183 L HN 0.585 nan 8.230 nan 0.000 0.450 184 Y N -2.319 117.830 120.300 -0.252 0.000 2.689 184 Y HA 0.697 5.247 4.550 -0.000 0.000 0.333 184 Y C -0.420 175.458 175.900 -0.036 0.000 1.190 184 Y CA -1.449 56.597 58.100 -0.090 0.000 1.063 184 Y CB 1.025 39.498 38.460 0.023 0.000 1.294 184 Y HN -0.106 nan 8.280 nan 0.000 0.466 185 T N -1.172 113.469 114.554 0.145 0.000 2.901 185 T HA 0.785 5.135 4.350 -0.000 0.000 0.293 185 T C 0.319 175.138 174.700 0.198 0.000 1.084 185 T CA -0.270 61.856 62.100 0.043 0.000 1.008 185 T CB 1.105 69.995 68.868 0.037 0.000 1.170 185 T HN 2.382 nan 8.240 nan 0.000 0.509 186 G N 1.518 110.392 108.800 0.123 0.000 2.598 186 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.244 186 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.244 186 G C -0.213 174.821 174.900 0.223 0.000 1.302 186 G CA -0.238 44.957 45.100 0.158 0.000 0.903 186 G HN 1.396 nan 8.290 nan 0.000 0.575 187 S N -0.701 115.111 115.700 0.187 0.000 2.651 187 S HA 0.715 5.185 4.470 -0.000 0.000 0.291 187 S C 0.205 174.802 174.600 -0.006 0.000 1.141 187 S CA -0.613 57.636 58.200 0.083 0.000 1.027 187 S CB 1.697 64.860 63.200 -0.062 0.000 1.043 187 S HN 0.669 nan 8.310 nan 0.000 0.530 188 L N 1.568 122.651 121.223 -0.233 0.000 2.289 188 L HA 0.439 4.779 4.340 -0.000 0.000 0.285 188 L C -1.300 175.228 176.870 -0.569 0.000 1.049 188 L CA -0.279 54.290 54.840 -0.452 0.000 0.804 188 L CB 0.716 42.416 42.059 -0.598 0.000 1.195 188 L HN 0.658 nan 8.230 nan 0.000 0.428 189 W N 2.625 123.515 121.300 -0.683 0.000 2.656 189 W HA 0.454 5.114 4.660 -0.000 0.000 0.327 189 W C -0.824 175.094 176.519 -1.002 0.000 1.041 189 W CA -0.251 56.555 57.345 -0.898 0.000 1.229 189 W CB 1.279 29.864 29.460 -1.459 0.000 1.397 189 W HN 0.202 nan 8.180 nan 0.000 0.479 190 Y N 1.536 121.649 120.300 -0.312 0.000 2.387 190 Y HA 0.551 5.101 4.550 -0.000 0.000 0.336 190 Y C 0.599 176.659 175.900 0.266 0.000 1.067 190 Y CA -0.734 57.343 58.100 -0.038 0.000 1.114 190 Y CB 2.088 40.507 38.460 -0.069 0.000 1.208 190 Y HN 0.152 nan 8.280 nan 0.000 0.458 191 T N 4.407 119.279 114.554 0.530 0.000 2.885 191 T HA 0.536 4.886 4.350 -0.000 0.000 0.285 191 T C -2.876 172.006 174.700 0.303 0.000 1.019 191 T CA -2.671 59.712 62.100 0.471 0.000 1.010 191 T CB 1.159 70.257 68.868 0.384 0.000 1.022 191 T HN 0.251 nan 8.240 nan 0.000 0.466 192 P HA 0.350 nan 4.420 nan 0.000 0.275 192 P C -0.575 176.833 177.300 0.181 0.000 1.228 192 P CA -0.328 62.877 63.100 0.176 0.000 0.786 192 P CB 0.354 32.137 31.700 0.137 0.000 0.927 193 I N 3.289 123.966 120.570 0.178 0.000 2.363 193 I HA 0.145 4.314 4.170 -0.000 0.000 0.292 193 I C 2.000 178.214 176.117 0.162 0.000 1.075 193 I CA -0.030 61.397 61.300 0.212 0.000 1.333 193 I CB 0.493 38.645 38.000 0.254 0.000 1.415 193 I HN 0.428 nan 8.210 nan 0.000 0.502 194 R N 5.700 126.307 120.500 0.179 0.000 2.081 194 R HA 0.018 4.358 4.340 -0.000 0.000 0.235 194 R C 0.752 177.117 176.300 0.108 0.000 1.131 194 R CA 1.316 57.503 56.100 0.144 0.000 0.960 194 R CB 0.307 30.712 30.300 0.174 0.000 0.856 194 R HN 0.561 nan 8.270 nan 0.000 0.436 195 R N 0.088 120.682 120.500 0.156 0.000 2.604 195 R HA 0.107 4.447 4.340 -0.000 0.000 0.270 195 R C -1.615 174.758 176.300 0.122 0.000 1.052 195 R CA -0.461 55.676 56.100 0.063 0.000 0.902 195 R CB 1.734 32.002 30.300 -0.053 0.000 1.233 195 R HN 0.093 nan 8.270 nan 0.000 0.455 196 E N 4.351 124.463 120.200 -0.147 0.000 1.924 196 E HA 0.108 4.458 4.350 -0.000 0.000 0.261 196 E C -0.057 176.450 176.600 -0.155 0.000 1.088 196 E CA -0.046 56.013 56.400 -0.568 0.000 0.909 196 E CB 0.334 29.327 29.700 -1.178 0.000 1.112 196 E HN 0.463 nan 8.360 nan 0.000 0.425 197 W N 1.957 123.185 121.300 -0.120 0.000 4.565 197 W HA 0.190 4.849 4.660 -0.000 0.000 0.169 197 W C -0.401 176.089 176.519 -0.050 0.000 3.393 197 W CA -0.213 57.102 57.345 -0.050 0.000 1.387 197 W CB -0.408 29.018 29.460 -0.057 0.000 1.999 197 W HN 0.074 nan 8.180 nan 0.000 0.487 198 Y N 0.511 120.570 120.300 -0.401 0.000 2.344 198 Y HA 0.357 4.907 4.550 -0.000 0.000 0.330 198 Y C -0.206 175.600 175.900 -0.158 0.000 1.330 198 Y CA -0.490 57.380 58.100 -0.384 0.000 1.479 198 Y CB 0.148 38.226 38.460 -0.637 0.000 1.428 198 Y HN -0.174 nan 8.280 nan 0.000 0.544 199 Y N 1.043 121.522 120.300 0.300 0.000 2.632 199 Y HA 0.123 4.673 4.550 -0.000 0.000 0.336 199 Y C 0.326 176.377 175.900 0.251 0.000 1.237 199 Y CA -0.354 57.950 58.100 0.340 0.000 1.595 199 Y CB -0.169 38.518 38.460 0.378 0.000 1.508 199 Y HN 0.407 nan 8.280 nan 0.000 0.480 200 E N 2.896 123.296 120.200 0.335 0.000 2.283 200 E HA 0.502 4.852 4.350 -0.000 0.000 0.278 200 E C -0.802 175.956 176.600 0.264 0.000 1.027 200 E CA -0.591 55.981 56.400 0.287 0.000 0.843 200 E CB 0.888 30.842 29.700 0.424 0.000 1.062 200 E HN 0.408 nan 8.360 nan 0.000 0.401 201 V N 1.319 121.354 119.914 0.202 0.000 3.156 201 V HA 0.638 4.758 4.120 -0.000 0.000 0.310 201 V C -0.559 175.610 176.094 0.125 0.000 1.234 201 V CA -1.048 61.350 62.300 0.164 0.000 1.065 201 V CB 1.580 33.489 31.823 0.144 0.000 1.088 201 V HN 0.648 nan 8.190 nan 0.000 0.451 202 I N 1.436 122.060 120.570 0.090 0.000 2.418 202 I HA 0.496 4.666 4.170 -0.000 0.000 0.287 202 I C -0.780 175.348 176.117 0.019 0.000 1.008 202 I CA -0.379 60.967 61.300 0.077 0.000 1.104 202 I CB 1.828 39.882 38.000 0.090 0.000 1.264 202 I HN 0.488 nan 8.210 nan 0.000 0.438 203 I N 6.729 127.317 120.570 0.030 0.000 2.342 203 I HA 0.140 4.310 4.170 -0.000 0.000 0.291 203 I C 1.093 177.255 176.117 0.076 0.000 1.010 203 I CA -0.286 61.002 61.300 -0.020 0.000 1.308 203 I CB 1.665 39.641 38.000 -0.040 0.000 1.400 203 I HN 0.491 nan 8.210 nan 0.000 0.488 204 V N 2.831 122.760 119.914 0.025 0.000 3.661 204 V HA 0.406 4.526 4.120 -0.000 0.000 0.271 204 V C 0.517 176.654 176.094 0.070 0.000 1.315 204 V CA 0.082 62.427 62.300 0.075 0.000 1.072 204 V CB -0.050 31.781 31.823 0.013 0.000 0.830 204 V HN 0.869 nan 8.190 nan 0.000 0.443 205 R N -0.441 120.019 120.500 -0.067 0.000 2.634 205 R HA 0.671 5.011 4.340 -0.000 0.000 0.263 205 R C -2.502 173.600 176.300 -0.328 0.000 1.060 205 R CA -0.364 55.619 56.100 -0.196 0.000 0.898 205 R CB 2.638 32.612 30.300 -0.542 0.000 1.253 205 R HN 0.057 nan 8.270 nan 0.000 0.461 206 V N 2.682 122.341 119.914 -0.426 0.000 2.638 206 V HA 0.481 4.601 4.120 -0.000 0.000 0.306 206 V C -0.803 175.202 176.094 -0.148 0.000 1.052 206 V CA -0.707 61.379 62.300 -0.357 0.000 0.885 206 V CB 2.034 33.477 31.823 -0.632 0.000 0.999 206 V HN 0.790 nan 8.190 nan 0.000 0.424 207 E N 4.252 124.417 120.200 -0.060 0.000 2.312 207 E HA 0.623 4.973 4.350 -0.000 0.000 0.267 207 E C -1.484 175.106 176.600 -0.016 0.000 0.894 207 E CA -0.863 55.525 56.400 -0.020 0.000 0.773 207 E CB 2.732 32.454 29.700 0.037 0.000 1.241 207 E HN 0.373 nan 8.360 nan 0.000 0.432 208 I N 2.469 123.039 120.570 -0.001 0.000 2.420 208 I HA 0.196 4.365 4.170 -0.000 0.000 0.282 208 I C 0.032 176.175 176.117 0.043 0.000 1.019 208 I CA -0.341 60.973 61.300 0.023 0.000 1.130 208 I CB 0.493 38.503 38.000 0.017 0.000 1.262 208 I HN 0.768 nan 8.210 nan 0.000 0.454 209 N N 4.728 123.468 118.700 0.067 0.000 2.725 209 N HA -0.231 4.508 4.740 -0.000 0.000 0.251 209 N C 1.175 176.711 175.510 0.044 0.000 1.031 209 N CA 0.617 53.708 53.050 0.069 0.000 0.720 209 N CB -0.354 38.178 38.487 0.076 0.000 0.930 209 N HN 1.150 nan 8.380 nan 0.000 0.543 210 G N -0.211 108.611 108.800 0.036 0.000 2.245 210 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.264 210 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.264 210 G C -0.093 174.813 174.900 0.009 0.000 0.985 210 G CA 0.742 45.858 45.100 0.026 0.000 0.625 210 G HN 0.607 nan 8.290 nan 0.000 0.536 211 Q N 1.050 120.854 119.800 0.006 0.000 2.322 211 Q HA 0.444 4.784 4.340 -0.000 0.000 0.256 211 Q C -0.419 175.570 176.000 -0.019 0.000 0.960 211 Q CA -0.650 55.148 55.803 -0.007 0.000 0.934 211 Q CB 0.599 29.335 28.738 -0.003 0.000 1.200 211 Q HN 0.244 nan 8.270 nan 0.000 0.435 212 D N 3.608 123.987 120.400 -0.035 0.000 2.450 212 D HA -0.082 4.557 4.640 -0.000 0.000 0.247 212 D C 0.630 176.922 176.300 -0.013 0.000 1.162 212 D CA 0.029 54.002 54.000 -0.046 0.000 0.879 212 D CB 0.915 41.674 40.800 -0.069 0.000 1.163 212 D HN 0.593 nan 8.370 nan 0.000 0.472 213 L N 3.869 125.100 121.223 0.012 0.000 2.275 213 L HA -0.004 4.336 4.340 -0.000 0.000 0.215 213 L C 1.382 178.291 176.870 0.065 0.000 1.119 213 L CA 1.014 55.885 54.840 0.051 0.000 0.790 213 L CB -0.932 41.190 42.059 0.106 0.000 0.919 213 L HN 0.762 nan 8.230 nan 0.000 0.443 214 K N 0.049 120.489 120.400 0.067 0.000 3.419 214 K HA -0.229 4.091 4.320 -0.000 0.000 0.272 214 K C -0.460 176.142 176.600 0.002 0.000 0.973 214 K CA 0.426 56.728 56.287 0.025 0.000 0.749 214 K CB -0.865 31.629 32.500 -0.009 0.000 1.403 214 K HN 0.283 nan 8.250 nan 0.000 0.456 215 M N 0.413 120.011 119.600 -0.004 0.000 2.724 215 M HA 0.202 4.681 4.480 -0.000 0.000 0.310 215 M C 0.005 176.131 176.300 -0.289 0.000 1.217 215 M CA -1.038 54.164 55.300 -0.162 0.000 0.894 215 M CB 1.099 33.558 32.600 -0.235 0.000 1.719 215 M HN 0.120 nan 8.290 nan 0.000 0.479 216 D N 1.043 121.282 120.400 -0.270 0.000 2.450 216 D HA 0.006 4.645 4.640 -0.000 0.000 0.247 216 D C 1.103 177.156 176.300 -0.411 0.000 1.162 216 D CA -0.256 53.601 54.000 -0.239 0.000 0.879 216 D CB 0.982 41.681 40.800 -0.169 0.000 1.163 216 D HN 0.790 nan 8.370 nan 0.000 0.472 217 C N 3.772 122.888 119.300 -0.307 0.000 2.409 217 C HA -0.070 4.390 4.460 -0.000 0.000 0.284 217 C C 1.994 176.879 174.990 -0.176 0.000 1.354 217 C CA 0.147 58.990 59.018 -0.293 0.000 1.787 217 C CB -0.789 26.954 27.740 0.006 0.000 1.900 217 C HN 0.636 nan 8.230 nan 0.000 0.520 218 K N 1.041 121.375 120.400 -0.110 0.000 2.147 218 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 218 K C 2.104 178.705 176.600 0.001 0.000 1.049 218 K CA 1.399 57.697 56.287 0.019 0.000 0.936 218 K CB -0.209 32.328 32.500 0.061 0.000 0.722 218 K HN 0.565 nan 8.250 nan 0.000 0.446 219 E N 0.447 120.545 120.200 -0.170 0.000 2.153 219 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 219 E C 1.803 178.400 176.600 -0.005 0.000 0.988 219 E CA 1.294 57.606 56.400 -0.145 0.000 0.811 219 E CB -0.195 29.342 29.700 -0.272 0.000 0.746 219 E HN 0.564 nan 8.360 nan 0.000 0.466 220 Y N 0.652 120.981 120.300 0.048 0.000 2.439 220 Y HA -0.017 4.533 4.550 -0.000 0.000 0.292 220 Y C 1.430 177.356 175.900 0.043 0.000 1.130 220 Y CA 0.278 58.399 58.100 0.035 0.000 1.254 220 Y CB 0.214 38.678 38.460 0.007 0.000 1.000 220 Y HN 0.017 nan 8.280 nan 0.000 0.554 221 N N -0.916 117.903 118.700 0.197 0.000 2.291 221 N HA -0.041 4.698 4.740 -0.000 0.000 0.244 221 N C -0.761 174.818 175.510 0.116 0.000 1.216 221 N CA -0.182 52.959 53.050 0.152 0.000 0.879 221 N CB 0.096 38.688 38.487 0.175 0.000 1.167 221 N HN 0.171 nan 8.380 nan 0.000 0.515 222 Y N 3.238 123.485 120.300 -0.088 0.000 2.784 222 Y HA -0.004 4.546 4.550 -0.000 0.000 0.355 222 Y C 0.952 176.603 175.900 -0.414 0.000 1.198 222 Y CA 0.518 58.419 58.100 -0.331 0.000 1.588 222 Y CB -0.382 37.929 38.460 -0.249 0.000 1.220 222 Y HN 0.240 nan 8.280 nan 0.000 0.517 223 D N 2.079 121.957 120.400 -0.869 0.000 3.196 223 D HA -0.187 4.453 4.640 -0.000 0.000 0.237 223 D C -1.027 175.271 176.300 -0.004 0.000 0.807 223 D CA 1.935 55.592 54.000 -0.572 0.000 2.019 223 D CB -1.182 39.272 40.800 -0.576 0.000 1.261 223 D HN 0.709 nan 8.370 nan 0.000 0.608 224 K N -0.871 119.506 120.400 -0.039 0.000 2.685 224 K HA 0.708 5.028 4.320 -0.000 0.000 0.290 224 K C -1.665 174.934 176.600 -0.003 0.000 1.018 224 K CA -0.821 55.512 56.287 0.077 0.000 0.860 224 K CB 1.465 34.028 32.500 0.106 0.000 1.498 224 K HN 0.071 nan 8.250 nan 0.000 0.390 225 S N 1.027 116.753 115.700 0.042 0.000 2.532 225 S HA 0.691 5.161 4.470 -0.000 0.000 0.299 225 S C -0.569 174.044 174.600 0.022 0.000 1.105 225 S CA -0.831 57.380 58.200 0.018 0.000 1.018 225 S CB 0.557 63.789 63.200 0.054 0.000 1.021 225 S HN 0.577 nan 8.310 nan 0.000 0.483 226 I N -0.695 119.867 120.570 -0.013 0.000 3.074 226 I HA 0.800 4.970 4.170 -0.000 0.000 0.310 226 I C -1.330 174.851 176.117 0.107 0.000 1.153 226 I CA -1.292 60.032 61.300 0.041 0.000 0.993 226 I CB 1.874 39.817 38.000 -0.095 0.000 1.237 226 I HN 0.255 nan 8.210 nan 0.000 0.443 227 V N 2.319 122.363 119.914 0.217 0.000 2.347 227 V HA 0.409 4.529 4.120 -0.000 0.000 0.280 227 V C -1.042 175.198 176.094 0.244 0.000 1.021 227 V CA 0.049 62.491 62.300 0.238 0.000 0.847 227 V CB 0.934 32.926 31.823 0.282 0.000 0.990 227 V HN 0.744 nan 8.190 nan 0.000 0.444 228 D N 2.915 123.408 120.400 0.156 0.000 2.389 228 D HA 0.227 4.867 4.640 -0.000 0.000 0.256 228 D C 1.068 177.416 176.300 0.081 0.000 1.239 228 D CA -0.118 53.949 54.000 0.111 0.000 0.925 228 D CB 1.829 42.665 40.800 0.060 0.000 1.145 228 D HN 0.477 nan 8.370 nan 0.000 0.542 229 S N 1.288 117.024 115.700 0.061 0.000 2.555 229 S HA 0.025 4.495 4.470 -0.000 0.000 0.230 229 S C 1.731 176.349 174.600 0.029 0.000 0.978 229 S CA 0.462 58.689 58.200 0.045 0.000 0.934 229 S CB 0.107 63.307 63.200 -0.000 0.000 0.766 229 S HN 0.387 nan 8.310 nan 0.000 0.533 230 G N 0.481 109.282 108.800 0.003 0.000 3.181 230 G HA2 0.359 4.319 3.960 -0.000 0.000 0.219 230 G HA3 0.359 4.319 3.960 -0.000 0.000 0.219 230 G C -0.021 174.874 174.900 -0.008 0.000 1.182 230 G CA -0.098 44.985 45.100 -0.029 0.000 0.791 230 G HN 0.480 nan 8.290 nan 0.000 0.537 231 T N -0.771 113.795 114.554 0.019 0.000 2.876 231 T HA 0.382 4.732 4.350 -0.000 0.000 0.289 231 T C 1.085 175.809 174.700 0.041 0.000 1.014 231 T CA -0.418 61.693 62.100 0.018 0.000 0.986 231 T CB 2.129 71.000 68.868 0.005 0.000 1.021 231 T HN -0.072 nan 8.240 nan 0.000 0.458 232 T N 2.339 116.914 114.554 0.036 0.000 2.770 232 T HA 0.021 4.371 4.350 -0.000 0.000 0.258 232 T C 1.036 175.759 174.700 0.038 0.000 1.039 232 T CA 0.869 62.998 62.100 0.048 0.000 1.143 232 T CB -0.106 68.783 68.868 0.036 0.000 0.866 232 T HN 0.429 nan 8.240 nan 0.000 0.428 233 N N 1.039 119.745 118.700 0.010 0.000 2.413 233 N HA 0.291 5.031 4.740 -0.000 0.000 0.266 233 N C -0.680 174.826 175.510 -0.007 0.000 1.238 233 N CA -0.541 52.503 53.050 -0.011 0.000 0.972 233 N CB 0.294 38.752 38.487 -0.048 0.000 1.210 233 N HN 0.161 nan 8.380 nan 0.000 0.547 234 L N 1.439 122.647 121.223 -0.025 0.000 2.281 234 L HA 0.302 4.642 4.340 -0.000 0.000 0.285 234 L C -0.352 176.502 176.870 -0.028 0.000 1.074 234 L CA -0.401 54.429 54.840 -0.016 0.000 0.817 234 L CB 0.099 42.141 42.059 -0.029 0.000 1.168 234 L HN 0.337 nan 8.230 nan 0.000 0.434 235 R N 6.485 126.973 120.500 -0.020 0.000 2.514 235 R HA 0.658 4.998 4.340 -0.000 0.000 0.301 235 R C -1.288 175.015 176.300 0.005 0.000 0.962 235 R CA -0.859 55.224 56.100 -0.029 0.000 0.882 235 R CB 1.984 32.249 30.300 -0.058 0.000 1.143 235 R HN 0.592 nan 8.270 nan 0.000 0.452 236 L N 2.751 124.004 121.223 0.050 0.000 2.370 236 L HA 0.503 4.843 4.340 -0.000 0.000 0.266 236 L C -2.412 174.519 176.870 0.102 0.000 1.002 236 L CA -2.699 52.206 54.840 0.108 0.000 0.818 236 L CB 2.386 44.573 42.059 0.213 0.000 1.325 236 L HN 0.223 nan 8.230 nan 0.000 0.418 237 P HA -0.010 nan 4.420 nan 0.000 0.267 237 P C 0.297 177.694 177.300 0.162 0.000 1.200 237 P CA -0.165 63.000 63.100 0.108 0.000 0.772 237 P CB 0.687 32.483 31.700 0.161 0.000 0.855 238 K N 3.416 123.895 120.400 0.132 0.000 2.071 238 K HA -0.295 4.025 4.320 -0.000 0.000 0.217 238 K C 1.403 178.125 176.600 0.202 0.000 1.054 238 K CA 2.107 58.491 56.287 0.162 0.000 0.937 238 K CB -0.175 32.393 32.500 0.113 0.000 0.719 238 K HN 0.288 nan 8.250 nan 0.000 0.454 239 K N -0.016 120.469 120.400 0.143 0.000 2.057 239 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 239 K C 2.094 178.765 176.600 0.119 0.000 1.049 239 K CA 1.543 57.890 56.287 0.100 0.000 0.931 239 K CB -0.021 32.500 32.500 0.034 0.000 0.714 239 K HN 0.051 nan 8.250 nan 0.000 0.440 240 V N 1.050 121.060 119.914 0.161 0.000 2.358 240 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 240 V C 1.978 178.171 176.094 0.165 0.000 1.047 240 V CA 1.537 63.950 62.300 0.188 0.000 1.035 240 V CB -0.558 31.420 31.823 0.259 0.000 0.658 240 V HN 0.207 nan 8.190 nan 0.000 0.452 241 F N 1.535 121.529 119.950 0.073 0.000 2.095 241 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 241 F C 2.376 178.223 175.800 0.077 0.000 1.104 241 F CA 2.164 60.207 58.000 0.072 0.000 1.232 241 F CB -0.224 38.818 39.000 0.070 0.000 0.987 241 F HN 0.220 nan 8.300 nan 0.000 0.475 242 E N 0.185 120.427 120.200 0.071 0.000 2.072 242 E HA -0.175 4.174 4.350 -0.000 0.000 0.191 242 E C 2.381 178.915 176.600 -0.109 0.000 0.985 242 E CA 1.016 57.391 56.400 -0.041 0.000 0.801 242 E CB -0.456 29.288 29.700 0.074 0.000 0.750 242 E HN 0.505 nan 8.360 nan 0.000 0.452 243 A N 1.576 124.369 122.820 -0.044 0.000 1.898 243 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 243 A C 2.400 179.935 177.584 -0.082 0.000 1.181 243 A CA 1.570 53.581 52.037 -0.044 0.000 0.620 243 A CB -0.627 18.379 19.000 0.011 0.000 0.819 243 A HN 0.283 nan 8.150 nan 0.000 0.442 244 A N -0.505 122.257 122.820 -0.096 0.000 1.858 244 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 244 A C 2.226 179.716 177.584 -0.156 0.000 1.190 244 A CA 1.883 53.855 52.037 -0.108 0.000 0.617 244 A CB -1.050 17.893 19.000 -0.095 0.000 0.827 244 A HN 0.410 nan 8.150 nan 0.000 0.443 245 V N 0.349 120.082 119.914 -0.302 0.000 2.407 245 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 245 V C 2.546 178.423 176.094 -0.363 0.000 1.055 245 V CA 2.370 64.474 62.300 -0.327 0.000 1.049 245 V CB -0.657 30.869 31.823 -0.496 0.000 0.662 245 V HN 0.696 nan 8.190 nan 0.000 0.455 246 K N -0.205 120.031 120.400 -0.273 0.000 2.057 246 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 246 K C 2.479 178.966 176.600 -0.188 0.000 1.049 246 K CA 1.847 57.996 56.287 -0.230 0.000 0.931 246 K CB -0.271 32.141 32.500 -0.147 0.000 0.714 246 K HN 0.402 nan 8.250 nan 0.000 0.440 247 S N 0.435 116.056 115.700 -0.132 0.000 2.371 247 S HA -0.041 4.428 4.470 -0.000 0.000 0.224 247 S C 1.894 176.463 174.600 -0.051 0.000 1.029 247 S CA 0.947 59.102 58.200 -0.076 0.000 0.978 247 S CB -0.196 62.977 63.200 -0.045 0.000 0.833 247 S HN 0.340 nan 8.310 nan 0.000 0.466 248 I N 1.117 121.662 120.570 -0.043 0.000 2.286 248 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 248 I C 2.524 178.658 176.117 0.029 0.000 1.115 248 I CA 1.147 62.503 61.300 0.093 0.000 1.392 248 I CB -0.256 37.898 38.000 0.257 0.000 1.065 248 I HN 0.248 nan 8.210 nan 0.000 0.418 249 K N 0.909 121.130 120.400 -0.299 0.000 2.057 249 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 249 K C 2.305 178.829 176.600 -0.127 0.000 1.049 249 K CA 1.487 57.547 56.287 -0.379 0.000 0.931 249 K CB -0.243 31.864 32.500 -0.654 0.000 0.714 249 K HN 0.304 nan 8.250 nan 0.000 0.440 250 A N 1.435 124.186 122.820 -0.116 0.000 1.902 250 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 250 A C 2.335 179.903 177.584 -0.026 0.000 1.181 250 A CA 1.831 53.828 52.037 -0.067 0.000 0.623 250 A CB -0.614 18.349 19.000 -0.063 0.000 0.818 250 A HN 0.337 nan 8.150 nan 0.000 0.443 251 A N -0.012 122.812 122.820 0.006 0.000 2.015 251 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 251 A C 2.104 179.697 177.584 0.015 0.000 1.163 251 A CA 1.886 53.941 52.037 0.031 0.000 0.646 251 A CB -0.562 18.486 19.000 0.080 0.000 0.806 251 A HN 1.019 nan 8.150 nan 0.000 0.448 252 S N -0.349 115.369 115.700 0.030 0.000 2.575 252 S HA 0.100 4.570 4.470 -0.000 0.000 0.237 252 S C 1.233 175.827 174.600 -0.009 0.000 0.975 252 S CA 0.539 58.712 58.200 -0.044 0.000 0.960 252 S CB -0.401 62.751 63.200 -0.081 0.000 0.822 252 S HN 0.715 nan 8.310 nan 0.000 0.472 253 S N 1.630 117.318 115.700 -0.021 0.000 2.537 253 S HA -0.138 4.332 4.470 -0.000 0.000 0.240 253 S C 1.742 176.293 174.600 -0.081 0.000 0.981 253 S CA 1.100 59.272 58.200 -0.048 0.000 0.948 253 S CB -1.413 61.756 63.200 -0.051 0.000 0.759 253 S HN 0.747 nan 8.310 nan 0.000 0.531 254 T N -1.213 113.292 114.554 -0.082 0.000 3.051 254 T HA 0.146 4.496 4.350 -0.000 0.000 0.269 254 T C 0.358 174.990 174.700 -0.114 0.000 1.127 254 T CA 0.415 62.464 62.100 -0.084 0.000 1.107 254 T CB -0.294 68.532 68.868 -0.070 0.000 0.898 254 T HN 0.585 nan 8.240 nan 0.000 0.517 255 E N 0.227 120.319 120.200 -0.179 0.000 2.314 255 E HA 0.490 4.840 4.350 -0.000 0.000 0.272 255 E C -1.013 175.190 176.600 -0.662 0.000 0.884 255 E CA -1.075 55.120 56.400 -0.341 0.000 0.753 255 E CB 1.519 31.083 29.700 -0.226 0.000 1.213 255 E HN -0.041 nan 8.360 nan 0.000 0.432 256 K N 2.068 122.045 120.400 -0.706 0.000 2.207 256 K HA 0.550 4.869 4.320 -0.000 0.000 0.255 256 K C -0.979 175.128 176.600 -0.821 0.000 0.941 256 K CA -0.475 55.449 56.287 -0.606 0.000 0.825 256 K CB 1.026 33.385 32.500 -0.236 0.000 1.119 256 K HN 0.365 nan 8.250 nan 0.000 0.430 257 F N 2.049 122.080 119.950 0.135 0.000 2.577 257 F HA 0.414 4.941 4.527 -0.000 0.000 0.318 257 F C -1.666 174.225 175.800 0.152 0.000 1.065 257 F CA -2.115 55.882 58.000 -0.007 0.000 0.929 257 F CB 1.223 40.018 39.000 -0.341 0.000 1.237 257 F HN 0.333 nan 8.300 nan 0.000 0.468 258 P HA 0.049 nan 4.420 nan 0.000 0.269 258 P C -0.110 177.396 177.300 0.344 0.000 1.215 258 P CA -0.084 63.154 63.100 0.230 0.000 0.780 258 P CB 1.037 32.822 31.700 0.142 0.000 0.898 259 D N 1.776 122.359 120.400 0.304 0.000 2.190 259 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 259 D C 2.143 178.621 176.300 0.297 0.000 0.992 259 D CA 1.892 56.097 54.000 0.341 0.000 0.854 259 D CB -0.796 40.138 40.800 0.223 0.000 0.936 259 D HN 0.641 nan 8.370 nan 0.000 0.462 260 G N 0.148 109.078 108.800 0.216 0.000 2.450 260 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 260 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 260 G C 1.437 176.433 174.900 0.160 0.000 1.130 260 G CA 0.370 45.571 45.100 0.167 0.000 0.760 260 G HN 0.255 nan 8.290 nan 0.000 0.557 261 F N 0.545 120.486 119.950 -0.015 0.000 2.075 261 F HA -0.025 4.502 4.527 -0.000 0.000 0.297 261 F C 2.266 177.934 175.800 -0.220 0.000 1.113 261 F CA 1.281 59.161 58.000 -0.199 0.000 1.218 261 F CB -0.453 38.283 39.000 -0.441 0.000 0.984 261 F HN 0.218 nan 8.300 nan 0.000 0.472 262 W N 0.579 121.858 121.300 -0.036 0.000 2.468 262 W HA -0.041 4.619 4.660 -0.000 0.000 0.262 262 W C 1.906 178.520 176.519 0.160 0.000 1.241 262 W CA 0.490 57.718 57.345 -0.194 0.000 1.232 262 W CB -0.552 28.877 29.460 -0.051 0.000 1.124 262 W HN 0.030 nan 8.180 nan 0.000 0.597 263 L N 0.242 121.640 121.223 0.293 0.000 2.599 263 L HA 0.212 4.551 4.340 -0.000 0.000 0.230 263 L C 1.946 178.927 176.870 0.185 0.000 1.141 263 L CA 0.765 55.767 54.840 0.269 0.000 0.877 263 L CB -0.913 41.261 42.059 0.191 0.000 1.009 263 L HN 0.267 nan 8.230 nan 0.000 0.447 264 G N 0.367 109.247 108.800 0.133 0.000 2.148 264 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 264 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 264 G C 0.704 175.629 174.900 0.042 0.000 0.981 264 G CA 0.671 45.812 45.100 0.068 0.000 0.670 264 G HN 0.507 nan 8.290 nan 0.000 0.528 265 E N -0.532 119.701 120.200 0.056 0.000 2.251 265 E HA 0.102 4.451 4.350 -0.000 0.000 0.194 265 E C 1.316 177.953 176.600 0.061 0.000 0.964 265 E CA 0.840 57.274 56.400 0.057 0.000 0.868 265 E CB 0.159 29.898 29.700 0.065 0.000 0.828 265 E HN 0.832 nan 8.360 nan 0.000 0.481 266 Q N 1.212 121.061 119.800 0.081 0.000 2.387 266 Q HA 0.485 4.825 4.340 -0.000 0.000 0.273 266 Q C -0.505 175.579 176.000 0.139 0.000 1.089 266 Q CA -0.870 54.988 55.803 0.091 0.000 0.824 266 Q CB 1.505 30.295 28.738 0.086 0.000 1.367 266 Q HN 0.012 nan 8.270 nan 0.000 0.443 267 L N -0.118 121.161 121.223 0.093 0.000 2.439 267 L HA 0.743 5.083 4.340 -0.000 0.000 0.261 267 L C -0.405 176.473 176.870 0.013 0.000 1.153 267 L CA -1.198 53.700 54.840 0.096 0.000 0.808 267 L CB 0.696 42.774 42.059 0.032 0.000 1.126 267 L HN 0.404 nan 8.230 nan 0.000 0.460 268 V N 0.154 120.020 119.914 -0.081 0.000 2.604 268 V HA 0.484 4.604 4.120 -0.000 0.000 0.305 268 V C -0.421 175.415 176.094 -0.431 0.000 1.043 268 V CA -0.314 61.736 62.300 -0.418 0.000 0.888 268 V CB 1.904 33.174 31.823 -0.922 0.000 0.995 268 V HN 1.002 nan 8.190 nan 0.000 0.429 269 c N 3.887 122.168 118.600 -0.531 0.000 2.634 269 c HA 0.721 5.291 4.570 -0.000 0.000 0.313 269 c C -0.801 173.014 174.090 -0.460 0.000 1.198 269 c CA -1.054 55.073 56.329 -0.336 0.000 1.605 269 c CB 1.602 44.014 42.510 -0.163 0.000 2.196 269 c HN 0.863 nan 8.230 nan 0.000 0.486 270 W N 0.774 122.092 121.300 0.030 0.000 2.962 270 W HA 0.423 5.083 4.660 -0.000 0.000 0.341 270 W C -0.173 176.354 176.519 0.013 0.000 1.155 270 W CA -0.461 56.895 57.345 0.019 0.000 1.165 270 W CB 1.202 30.666 29.460 0.007 0.000 1.435 270 W HN 0.730 nan 8.180 nan 0.000 0.546 271 Q N 1.628 121.574 119.800 0.243 0.000 2.349 271 Q HA 0.266 4.606 4.340 -0.000 0.000 0.287 271 Q C 0.365 176.449 176.000 0.140 0.000 1.044 271 Q CA 0.160 56.046 55.803 0.139 0.000 0.918 271 Q CB 0.886 29.688 28.738 0.106 0.000 1.242 271 Q HN 0.466 nan 8.270 nan 0.000 0.405 272 A N 3.261 126.139 122.820 0.096 0.000 2.591 272 A HA 0.243 4.563 4.320 -0.000 0.000 0.244 272 A C 1.295 178.932 177.584 0.087 0.000 1.031 272 A CA 0.916 53.004 52.037 0.086 0.000 0.767 272 A CB -0.948 18.081 19.000 0.048 0.000 0.942 272 A HN 1.417 nan 8.150 nan 0.000 0.514 273 G N 1.689 110.554 108.800 0.110 0.000 2.267 273 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.257 273 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.257 273 G C 1.085 176.033 174.900 0.079 0.000 0.998 273 G CA 1.305 46.468 45.100 0.105 0.000 0.620 273 G HN 2.201 nan 8.290 nan 0.000 0.529 274 T N -0.644 113.943 114.554 0.056 0.000 3.144 274 T HA 0.364 4.714 4.350 -0.000 0.000 0.249 274 T C 1.014 175.566 174.700 -0.247 0.000 1.089 274 T CA 1.073 63.160 62.100 -0.022 0.000 0.989 274 T CB -0.088 68.803 68.868 0.038 0.000 0.992 274 T HN 0.469 nan 8.240 nan 0.000 0.540 275 T N 5.848 120.189 114.554 -0.356 0.000 2.849 275 T HA 0.116 4.465 4.350 -0.000 0.000 0.289 275 T C -2.115 171.900 174.700 -1.142 0.000 1.010 275 T CA -0.455 61.008 62.100 -1.062 0.000 1.161 275 T CB 0.561 68.665 68.868 -1.274 0.000 0.989 275 T HN 0.295 nan 8.240 nan 0.000 0.523 276 P HA 0.139 nan 4.420 nan 0.000 0.225 276 P C 0.253 177.342 177.300 -0.350 0.000 1.813 276 P CA -0.447 62.291 63.100 -0.604 0.000 1.013 276 P CB -0.247 31.172 31.700 -0.468 0.000 1.961 277 W N 2.426 123.646 121.300 -0.134 0.000 2.304 277 W HA -0.307 4.353 4.660 -0.000 0.000 0.315 277 W C 2.215 178.783 176.519 0.081 0.000 1.233 277 W CA 1.731 59.068 57.345 -0.013 0.000 1.261 277 W CB -1.586 27.851 29.460 -0.038 0.000 1.150 277 W HN 0.300 nan 8.180 nan 0.000 0.494 278 N N 1.696 120.531 118.700 0.225 0.000 2.272 278 N HA -0.228 4.512 4.740 -0.000 0.000 0.185 278 N C 1.460 177.007 175.510 0.063 0.000 1.014 278 N CA 2.179 55.296 53.050 0.112 0.000 0.870 278 N CB -1.105 37.369 38.487 -0.022 0.000 0.975 278 N HN 0.440 nan 8.380 nan 0.000 0.433 279 I N -4.066 116.498 120.570 -0.009 0.000 2.928 279 I HA 0.161 4.330 4.170 -0.000 0.000 0.266 279 I C -0.372 175.662 176.117 -0.138 0.000 1.234 279 I CA 0.037 61.266 61.300 -0.118 0.000 1.483 279 I CB -0.318 37.538 38.000 -0.240 0.000 1.097 279 I HN -0.142 nan 8.210 nan 0.000 0.455 280 F N 3.951 123.992 119.950 0.152 0.000 2.394 280 F HA 0.509 5.035 4.527 -0.000 0.000 0.340 280 F C -1.925 174.034 175.800 0.266 0.000 1.105 280 F CA -2.722 55.433 58.000 0.259 0.000 1.124 280 F CB 0.438 39.590 39.000 0.253 0.000 1.145 280 F HN -0.113 nan 8.300 nan 0.000 0.505 281 P HA 0.216 nan 4.420 nan 0.000 0.276 281 P C -0.725 176.821 177.300 0.410 0.000 1.244 281 P CA -0.276 63.030 63.100 0.344 0.000 0.801 281 P CB 1.584 33.435 31.700 0.252 0.000 1.006 282 V N -0.305 119.772 119.914 0.272 0.000 3.036 282 V HA 0.518 4.638 4.120 -0.000 0.000 0.308 282 V C 0.183 176.394 176.094 0.196 0.000 1.070 282 V CA -0.579 61.877 62.300 0.260 0.000 1.056 282 V CB 0.319 32.237 31.823 0.158 0.000 1.084 282 V HN 0.322 nan 8.190 nan 0.000 0.471 283 I N 1.635 122.302 120.570 0.161 0.000 2.499 283 I HA 0.492 4.662 4.170 -0.000 0.000 0.288 283 I C -0.295 175.824 176.117 0.002 0.000 1.048 283 I CA -0.173 61.156 61.300 0.048 0.000 1.062 283 I CB 2.160 40.150 38.000 -0.018 0.000 1.238 283 I HN 0.693 nan 8.210 nan 0.000 0.426 284 S N 6.761 122.427 115.700 -0.057 0.000 2.473 284 S HA 0.664 5.134 4.470 -0.000 0.000 0.307 284 S C -0.543 173.942 174.600 -0.192 0.000 1.094 284 S CA -0.639 57.468 58.200 -0.156 0.000 1.070 284 S CB 1.525 64.599 63.200 -0.209 0.000 1.019 284 S HN 0.348 nan 8.310 nan 0.000 0.480 285 L N 3.483 124.527 121.223 -0.300 0.000 2.305 285 L HA 0.496 4.836 4.340 -0.000 0.000 0.284 285 L C -1.326 175.281 176.870 -0.437 0.000 1.013 285 L CA -0.775 53.878 54.840 -0.312 0.000 0.819 285 L CB 0.756 42.618 42.059 -0.327 0.000 1.227 285 L HN 0.618 nan 8.230 nan 0.000 0.417 286 Y N 3.815 123.851 120.300 -0.441 0.000 2.313 286 Y HA 0.503 5.052 4.550 -0.000 0.000 0.332 286 Y C 0.119 175.716 175.900 -0.505 0.000 1.071 286 Y CA -0.221 57.589 58.100 -0.483 0.000 1.169 286 Y CB 1.213 39.434 38.460 -0.398 0.000 1.192 286 Y HN 0.371 nan 8.280 nan 0.000 0.487 287 L N 4.022 124.864 121.223 -0.635 0.000 2.342 287 L HA 0.485 4.825 4.340 -0.000 0.000 0.271 287 L C -0.025 176.618 176.870 -0.379 0.000 1.008 287 L CA -1.093 53.390 54.840 -0.594 0.000 0.818 287 L CB 1.817 43.320 42.059 -0.926 0.000 1.296 287 L HN 0.608 nan 8.230 nan 0.000 0.427 288 M N 1.332 120.864 119.600 -0.114 0.000 2.251 288 M HA 0.209 4.689 4.480 -0.000 0.000 0.343 288 M C 0.418 176.828 176.300 0.184 0.000 1.245 288 M CA 0.342 55.670 55.300 0.045 0.000 1.061 288 M CB 0.676 33.322 32.600 0.076 0.000 1.723 288 M HN 0.714 nan 8.290 nan 0.000 0.449 289 G N 3.097 112.061 108.800 0.272 0.000 2.535 289 G HA2 0.252 4.212 3.960 -0.000 0.000 0.303 289 G HA3 0.252 4.212 3.960 -0.000 0.000 0.303 289 G C 0.027 175.099 174.900 0.287 0.000 1.237 289 G CA -0.437 44.919 45.100 0.428 0.000 0.986 289 G HN 0.894 nan 8.290 nan 0.000 0.494 290 E N -1.364 118.994 120.200 0.262 0.000 2.299 290 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 290 E C 0.506 177.178 176.600 0.120 0.000 0.998 290 E CA 0.159 56.654 56.400 0.159 0.000 0.851 290 E CB 0.371 30.136 29.700 0.108 0.000 0.795 290 E HN 0.090 nan 8.360 nan 0.000 0.492 291 V N 2.675 122.673 119.914 0.140 0.000 2.498 291 V HA 0.024 4.144 4.120 -0.000 0.000 0.279 291 V C 0.382 176.541 176.094 0.110 0.000 1.048 291 V CA -0.280 62.085 62.300 0.108 0.000 0.967 291 V CB 1.371 33.262 31.823 0.113 0.000 0.988 291 V HN 0.129 nan 8.190 nan 0.000 0.473 292 T N 5.653 120.255 114.554 0.080 0.000 2.923 292 T HA -0.026 4.324 4.350 -0.000 0.000 0.304 292 T C 0.995 175.743 174.700 0.079 0.000 1.044 292 T CA 0.253 62.396 62.100 0.072 0.000 1.141 292 T CB -0.254 68.645 68.868 0.052 0.000 1.023 292 T HN 0.841 nan 8.240 nan 0.000 0.533 293 N N 0.568 119.315 118.700 0.078 0.000 2.708 293 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 293 N C -0.106 175.467 175.510 0.104 0.000 1.123 293 N CA 0.997 54.094 53.050 0.078 0.000 0.739 293 N CB -0.674 37.849 38.487 0.061 0.000 1.113 293 N HN 0.834 nan 8.380 nan 0.000 0.561 294 Q N 0.338 120.218 119.800 0.134 0.000 2.342 294 Q HA 0.589 4.929 4.340 -0.000 0.000 0.267 294 Q C -0.514 175.621 176.000 0.225 0.000 1.038 294 Q CA -0.524 55.387 55.803 0.180 0.000 0.832 294 Q CB 1.561 30.417 28.738 0.197 0.000 1.323 294 Q HN 0.312 nan 8.270 nan 0.000 0.448 295 S N 2.064 117.922 115.700 0.263 0.000 2.661 295 S HA 0.860 5.329 4.470 -0.000 0.000 0.285 295 S C -0.989 173.824 174.600 0.355 0.000 1.138 295 S CA -0.732 57.630 58.200 0.270 0.000 0.855 295 S CB 1.199 64.511 63.200 0.186 0.000 1.136 295 S HN 0.597 nan 8.310 nan 0.000 0.484 296 F N -1.209 118.777 119.950 0.060 0.000 2.692 296 F HA 0.897 5.424 4.527 -0.000 0.000 0.320 296 F C -0.713 174.924 175.800 -0.272 0.000 1.123 296 F CA -1.317 56.565 58.000 -0.196 0.000 0.961 296 F CB 1.332 39.886 39.000 -0.743 0.000 1.383 296 F HN 0.972 nan 8.300 nan 0.000 0.483 297 R N 1.696 121.984 120.500 -0.353 0.000 2.795 297 R HA 0.835 5.175 4.340 -0.000 0.000 0.275 297 R C -1.630 174.375 176.300 -0.491 0.000 0.981 297 R CA -0.963 54.672 56.100 -0.775 0.000 0.917 297 R CB 2.555 32.007 30.300 -1.414 0.000 1.202 297 R HN 1.013 nan 8.270 nan 0.000 0.469 298 I N -0.852 119.374 120.570 -0.574 0.000 2.474 298 I HA 0.547 4.717 4.170 -0.000 0.000 0.294 298 I C -1.122 174.845 176.117 -0.249 0.000 1.005 298 I CA -0.704 60.307 61.300 -0.483 0.000 1.113 298 I CB 2.613 40.014 38.000 -1.000 0.000 1.289 298 I HN 0.524 nan 8.210 nan 0.000 0.436 299 T N 7.473 122.036 114.554 0.015 0.000 2.809 299 T HA 0.613 4.963 4.350 -0.000 0.000 0.284 299 T C -0.091 174.731 174.700 0.203 0.000 0.992 299 T CA -0.435 61.703 62.100 0.063 0.000 0.957 299 T CB 1.330 70.203 68.868 0.008 0.000 0.942 299 T HN 0.643 nan 8.240 nan 0.000 0.439 300 I N 0.855 121.535 120.570 0.184 0.000 2.863 300 I HA 0.750 4.919 4.170 -0.000 0.000 0.311 300 I C -0.887 175.335 176.117 0.175 0.000 1.026 300 I CA -1.366 60.029 61.300 0.157 0.000 1.077 300 I CB 1.225 39.348 38.000 0.204 0.000 1.262 300 I HN 0.408 nan 8.210 nan 0.000 0.461 301 L N 1.897 123.185 121.223 0.109 0.000 2.298 301 L HA 0.542 4.882 4.340 -0.000 0.000 0.268 301 L C -1.643 175.153 176.870 -0.123 0.000 1.010 301 L CA -1.732 53.152 54.840 0.073 0.000 0.812 301 L CB 1.465 43.517 42.059 -0.013 0.000 1.331 301 L HN 0.417 nan 8.230 nan 0.000 0.450 302 P HA -0.125 nan 4.420 nan 0.000 0.226 302 P C 0.857 177.860 177.300 -0.495 0.000 1.153 302 P CA 1.022 63.501 63.100 -1.035 0.000 0.777 302 P CB 0.329 31.752 31.700 -0.463 0.000 0.794 303 Q N -0.510 119.039 119.800 -0.419 0.000 2.364 303 Q HA -0.143 4.196 4.340 -0.000 0.000 0.207 303 Q C 2.161 178.029 176.000 -0.220 0.000 0.970 303 Q CA 1.411 56.900 55.803 -0.524 0.000 0.888 303 Q CB -0.369 27.939 28.738 -0.716 0.000 0.951 303 Q HN 0.282 nan 8.270 nan 0.000 0.469 304 Q N -1.655 118.047 119.800 -0.163 0.000 2.200 304 Q HA -0.025 4.315 4.340 -0.000 0.000 0.197 304 Q C 1.244 177.263 176.000 0.032 0.000 0.953 304 Q CA 0.938 56.719 55.803 -0.037 0.000 0.851 304 Q CB -0.021 28.723 28.738 0.011 0.000 0.938 304 Q HN 0.667 nan 8.270 nan 0.000 0.488 305 Y N -1.180 119.132 120.300 0.020 0.000 2.529 305 Y HA 0.364 4.914 4.550 -0.000 0.000 0.290 305 Y C -0.228 175.671 175.900 -0.001 0.000 1.177 305 Y CA -0.163 57.930 58.100 -0.012 0.000 1.305 305 Y CB -0.118 38.325 38.460 -0.028 0.000 1.047 305 Y HN -0.159 nan 8.280 nan 0.000 0.522 306 L N 3.128 124.321 121.223 -0.049 0.000 2.277 306 L HA 0.431 4.771 4.340 -0.000 0.000 0.284 306 L C -0.026 176.974 176.870 0.216 0.000 1.028 306 L CA -0.655 54.216 54.840 0.052 0.000 0.835 306 L CB 1.295 43.225 42.059 -0.216 0.000 1.215 306 L HN 0.115 nan 8.230 nan 0.000 0.425 307 R N 5.066 125.708 120.500 0.237 0.000 2.265 307 R HA 0.349 4.689 4.340 -0.000 0.000 0.314 307 R C -2.427 174.046 176.300 0.288 0.000 1.053 307 R CA -1.461 54.772 56.100 0.221 0.000 0.931 307 R CB 1.047 31.419 30.300 0.121 0.000 1.024 307 R HN 0.214 nan 8.270 nan 0.000 0.457 308 P HA -0.024 nan 4.420 nan 0.000 0.267 308 P C -1.212 176.076 177.300 -0.019 0.000 1.205 308 P CA -0.145 62.982 63.100 0.044 0.000 0.765 308 P CB 0.967 32.709 31.700 0.069 0.000 0.828 309 V N -0.154 119.701 119.914 -0.098 0.000 2.888 309 V HA 0.566 4.686 4.120 -0.000 0.000 0.309 309 V C -0.337 175.712 176.094 -0.075 0.000 1.114 309 V CA -1.407 60.862 62.300 -0.053 0.000 0.940 309 V CB 2.012 33.825 31.823 -0.018 0.000 1.021 309 V HN 0.218 nan 8.190 nan 0.000 0.426 310 E N 2.212 122.387 120.200 -0.042 0.000 2.414 310 E HA 0.161 4.511 4.350 -0.000 0.000 0.263 310 E C -0.274 176.300 176.600 -0.042 0.000 1.000 310 E CA 0.297 56.675 56.400 -0.037 0.000 0.914 310 E CB 0.775 30.463 29.700 -0.019 0.000 0.948 310 E HN 0.914 nan 8.360 nan 0.000 0.444 311 D N 3.134 123.507 120.400 -0.045 0.000 2.417 311 D HA -0.058 4.582 4.640 -0.000 0.000 0.250 311 D C 1.191 177.474 176.300 -0.028 0.000 1.166 311 D CA 0.233 54.208 54.000 -0.041 0.000 0.881 311 D CB 0.920 41.697 40.800 -0.038 0.000 1.164 311 D HN 0.287 nan 8.370 nan 0.000 0.467 312 V N 2.860 122.759 119.914 -0.025 0.000 2.392 312 V HA -0.076 4.044 4.120 -0.000 0.000 0.249 312 V C 1.427 177.512 176.094 -0.016 0.000 1.059 312 V CA 1.309 63.599 62.300 -0.018 0.000 1.051 312 V CB -1.505 30.309 31.823 -0.014 0.000 0.658 312 V HN 0.588 nan 8.190 nan 0.000 0.455 313 A N 0.935 123.744 122.820 -0.018 0.000 2.227 313 A HA 0.297 4.616 4.320 -0.000 0.000 0.279 313 A C 1.441 179.017 177.584 -0.014 0.000 1.367 313 A CA 1.014 53.042 52.037 -0.016 0.000 0.824 313 A CB -0.541 18.449 19.000 -0.018 0.000 1.214 313 A HN 0.467 nan 8.150 nan 0.000 0.514 314 T N 0.703 115.250 114.554 -0.012 0.000 3.105 314 T HA 0.193 4.543 4.350 -0.000 0.000 0.253 314 T C 0.474 175.168 174.700 -0.010 0.000 1.047 314 T CA 0.415 62.509 62.100 -0.010 0.000 0.944 314 T CB -0.213 68.650 68.868 -0.008 0.000 1.016 314 T HN 0.475 nan 8.240 nan 0.000 0.544 315 S N 2.083 117.776 115.700 -0.011 0.000 2.585 315 S HA 0.165 4.635 4.470 -0.000 0.000 0.273 315 S C 0.838 175.433 174.600 -0.008 0.000 1.339 315 S CA -0.547 57.648 58.200 -0.009 0.000 1.028 315 S CB 0.913 64.107 63.200 -0.011 0.000 0.906 315 S HN 0.314 nan 8.310 nan 0.000 0.528 316 Q N 0.726 120.525 119.800 -0.003 0.000 2.217 316 Q HA 0.092 4.432 4.340 -0.000 0.000 0.226 316 Q C -0.706 175.298 176.000 0.007 0.000 0.875 316 Q CA -0.139 55.663 55.803 -0.002 0.000 0.974 316 Q CB 0.046 28.783 28.738 -0.002 0.000 1.079 316 Q HN 0.574 nan 8.270 nan 0.000 0.463 317 D N 1.181 121.584 120.400 0.006 0.000 2.368 317 D HA 0.045 4.685 4.640 -0.000 0.000 0.240 317 D C -0.329 175.978 176.300 0.011 0.000 1.169 317 D CA 0.348 54.362 54.000 0.023 0.000 0.906 317 D CB 0.706 41.510 40.800 0.008 0.000 1.187 317 D HN -0.053 nan 8.370 nan 0.000 0.435 318 D N 0.456 120.892 120.400 0.059 0.000 2.359 318 D HA 0.245 4.885 4.640 -0.000 0.000 0.230 318 D C -0.452 175.797 176.300 -0.086 0.000 1.118 318 D CA -0.187 53.813 54.000 -0.001 0.000 0.844 318 D CB 0.455 41.362 40.800 0.178 0.000 1.059 318 D HN 0.170 nan 8.370 nan 0.000 0.493 319 c N 2.779 121.171 118.600 -0.346 0.000 2.562 319 c HA 0.723 5.293 4.570 -0.000 0.000 0.332 319 c C -0.643 173.096 174.090 -0.584 0.000 1.201 319 c CA -0.813 55.343 56.329 -0.287 0.000 1.803 319 c CB 0.255 42.679 42.510 -0.143 0.000 2.328 319 c HN 0.538 nan 8.230 nan 0.000 0.500 320 Y N -0.521 119.827 120.300 0.079 0.000 2.609 320 Y HA 0.553 5.103 4.550 -0.000 0.000 0.336 320 Y C -0.123 175.864 175.900 0.146 0.000 1.129 320 Y CA -1.012 57.161 58.100 0.121 0.000 1.040 320 Y CB 1.188 39.744 38.460 0.160 0.000 1.310 320 Y HN 0.459 nan 8.280 nan 0.000 0.460 321 K N 0.914 121.487 120.400 0.289 0.000 2.208 321 K HA 0.430 4.750 4.320 -0.000 0.000 0.247 321 K C -1.515 175.174 176.600 0.148 0.000 0.953 321 K CA -0.990 55.409 56.287 0.186 0.000 0.837 321 K CB 1.901 34.458 32.500 0.094 0.000 1.131 321 K HN 0.542 nan 8.250 nan 0.000 0.431 322 F N 1.959 121.702 119.950 -0.345 0.000 2.466 322 F HA 0.184 4.711 4.527 -0.000 0.000 0.363 322 F C 0.392 176.116 175.800 -0.127 0.000 1.109 322 F CA -0.725 57.014 58.000 -0.435 0.000 1.161 322 F CB 0.360 38.721 39.000 -1.065 0.000 1.117 322 F HN 0.597 nan 8.300 nan 0.000 0.539 323 A N 8.059 130.755 122.820 -0.207 0.000 2.734 323 A HA 0.387 4.706 4.320 -0.000 0.000 0.279 323 A C 0.083 177.480 177.584 -0.311 0.000 1.386 323 A CA -0.166 51.762 52.037 -0.181 0.000 0.987 323 A CB -1.237 17.747 19.000 -0.026 0.000 1.041 323 A HN 0.625 nan 8.150 nan 0.000 0.569 324 I N 1.048 121.222 120.570 -0.660 0.000 2.466 324 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 324 I C -0.170 175.891 176.117 -0.094 0.000 1.026 324 I CA -0.343 60.686 61.300 -0.451 0.000 1.078 324 I CB 2.303 39.870 38.000 -0.722 0.000 1.249 324 I HN 0.314 nan 8.210 nan 0.000 0.429 325 S N 4.301 119.985 115.700 -0.027 0.000 2.651 325 S HA 0.533 5.003 4.470 -0.000 0.000 0.279 325 S C -0.957 173.304 174.600 -0.566 0.000 1.148 325 S CA -1.051 56.993 58.200 -0.259 0.000 0.837 325 S CB 1.845 64.933 63.200 -0.187 0.000 1.138 325 S HN 0.627 nan 8.310 nan 0.000 0.478 326 Q N 0.367 119.528 119.800 -1.064 0.000 2.306 326 Q HA 0.682 5.022 4.340 -0.000 0.000 0.241 326 Q C -0.406 175.420 176.000 -0.291 0.000 0.948 326 Q CA -0.577 54.810 55.803 -0.694 0.000 0.886 326 Q CB 1.064 29.381 28.738 -0.701 0.000 1.227 326 Q HN 0.609 nan 8.270 nan 0.000 0.457 327 S N 0.371 115.978 115.700 -0.155 0.000 2.542 327 S HA 0.373 4.843 4.470 -0.000 0.000 0.293 327 S C -0.056 174.493 174.600 -0.084 0.000 1.089 327 S CA -0.272 57.863 58.200 -0.108 0.000 0.961 327 S CB 1.662 64.807 63.200 -0.092 0.000 1.062 327 S HN 0.727 nan 8.310 nan 0.000 0.483 328 S N 1.227 116.875 115.700 -0.087 0.000 2.539 328 S HA 0.116 4.586 4.470 -0.000 0.000 0.221 328 S C 0.876 175.389 174.600 -0.146 0.000 0.987 328 S CA 0.390 58.538 58.200 -0.087 0.000 0.929 328 S CB -0.151 63.017 63.200 -0.053 0.000 0.832 328 S HN 0.914 nan 8.310 nan 0.000 0.492 329 T N -1.498 112.965 114.554 -0.152 0.000 3.266 329 T HA 0.611 4.960 4.350 -0.000 0.000 0.278 329 T C 0.849 175.415 174.700 -0.223 0.000 1.010 329 T CA 0.110 62.096 62.100 -0.190 0.000 0.909 329 T CB -0.135 68.637 68.868 -0.160 0.000 1.122 329 T HN 1.185 nan 8.240 nan 0.000 0.536 330 G N 1.065 109.735 108.800 -0.217 0.000 2.685 330 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.387 330 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.387 330 G C -0.440 174.403 174.900 -0.096 0.000 1.324 330 G CA -0.634 44.364 45.100 -0.170 0.000 0.878 330 G HN 0.508 nan 8.290 nan 0.000 0.527 331 T N 0.170 114.695 114.554 -0.049 0.000 2.884 331 T HA 0.493 4.843 4.350 -0.000 0.000 0.298 331 T C 0.330 175.002 174.700 -0.048 0.000 0.998 331 T CA 0.184 62.271 62.100 -0.021 0.000 1.124 331 T CB 1.258 70.134 68.868 0.014 0.000 0.931 331 T HN 1.136 nan 8.240 nan 0.000 0.531 332 V N 5.193 125.084 119.914 -0.038 0.000 2.409 332 V HA 0.323 4.443 4.120 -0.000 0.000 0.290 332 V C -0.031 176.065 176.094 0.002 0.000 1.017 332 V CA -0.713 61.567 62.300 -0.034 0.000 0.841 332 V CB 1.465 33.256 31.823 -0.053 0.000 1.003 332 V HN 0.901 nan 8.190 nan 0.000 0.426 333 M N 4.571 124.190 119.600 0.032 0.000 2.497 333 M HA 0.371 4.851 4.480 -0.000 0.000 0.336 333 M C 0.995 177.346 176.300 0.085 0.000 1.378 333 M CA 0.168 55.507 55.300 0.064 0.000 1.375 333 M CB 0.503 33.160 32.600 0.094 0.000 1.337 333 M HN 0.817 nan 8.290 nan 0.000 0.461 334 G N 1.008 109.847 108.800 0.066 0.000 2.508 334 G HA2 0.462 4.422 3.960 -0.000 0.000 0.278 334 G HA3 0.462 4.422 3.960 -0.000 0.000 0.278 334 G C 0.892 175.848 174.900 0.094 0.000 1.389 334 G CA 0.009 45.151 45.100 0.069 0.000 1.050 334 G HN 0.729 nan 8.290 nan 0.000 0.522 335 A N -1.039 121.839 122.820 0.096 0.000 1.917 335 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 335 A C 2.612 180.262 177.584 0.110 0.000 1.182 335 A CA 3.201 55.310 52.037 0.120 0.000 0.633 335 A CB -1.085 18.029 19.000 0.189 0.000 0.819 335 A HN 1.390 nan 8.150 nan 0.000 0.448 336 V N -2.297 117.677 119.914 0.100 0.000 2.720 336 V HA -0.170 3.950 4.120 -0.000 0.000 0.256 336 V C 2.019 178.170 176.094 0.095 0.000 1.082 336 V CA 1.700 64.054 62.300 0.089 0.000 1.101 336 V CB -0.845 31.025 31.823 0.079 0.000 0.693 336 V HN 0.409 nan 8.190 nan 0.000 0.479 337 I N -0.043 120.602 120.570 0.124 0.000 2.277 337 I HA -0.041 4.129 4.170 -0.000 0.000 0.243 337 I C 2.665 178.940 176.117 0.264 0.000 1.094 337 I CA 1.715 63.134 61.300 0.198 0.000 1.393 337 I CB -0.973 37.141 38.000 0.190 0.000 1.078 337 I HN 0.313 nan 8.210 nan 0.000 0.417 338 M N 0.152 119.875 119.600 0.205 0.000 2.267 338 M HA -0.207 4.272 4.480 -0.000 0.000 0.263 338 M C 1.886 178.232 176.300 0.077 0.000 1.063 338 M CA 1.492 56.905 55.300 0.190 0.000 1.090 338 M CB -0.539 32.124 32.600 0.106 0.000 1.392 338 M HN 0.226 nan 8.290 nan 0.000 0.422 339 E N 0.015 120.219 120.200 0.007 0.000 2.333 339 E HA -0.123 4.227 4.350 -0.000 0.000 0.198 339 E C 1.999 178.518 176.600 -0.136 0.000 1.007 339 E CA 0.874 57.237 56.400 -0.062 0.000 0.845 339 E CB -0.177 29.509 29.700 -0.024 0.000 0.766 339 E HN 0.636 nan 8.360 nan 0.000 0.507 340 G N -0.194 108.425 108.800 -0.303 0.000 2.683 340 G HA2 0.045 4.005 3.960 -0.000 0.000 0.213 340 G HA3 0.045 4.005 3.960 -0.000 0.000 0.213 340 G C 0.200 174.411 174.900 -1.148 0.000 1.142 340 G CA 0.023 44.637 45.100 -0.810 0.000 0.793 340 G HN 0.003 nan 8.290 nan 0.000 0.534 341 F N -2.409 117.560 119.950 0.031 0.000 2.629 341 F HA 0.502 5.029 4.527 -0.000 0.000 0.316 341 F C -0.963 174.877 175.800 0.066 0.000 1.081 341 F CA -1.878 56.154 58.000 0.053 0.000 0.954 341 F CB 1.301 40.373 39.000 0.121 0.000 1.337 341 F HN -0.123 nan 8.300 nan 0.000 0.474 342 Y N 2.172 122.524 120.300 0.087 0.000 2.367 342 Y HA 0.648 5.197 4.550 -0.000 0.000 0.342 342 Y C -0.986 174.776 175.900 -0.231 0.000 0.979 342 Y CA -1.582 56.483 58.100 -0.059 0.000 1.161 342 Y CB 0.667 39.094 38.460 -0.055 0.000 1.155 342 Y HN 0.313 nan 8.280 nan 0.000 0.503 343 V N 7.348 126.984 119.914 -0.464 0.000 2.417 343 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 343 V C -0.608 174.890 176.094 -0.994 0.000 1.024 343 V CA -1.021 60.756 62.300 -0.872 0.000 0.861 343 V CB 1.456 32.798 31.823 -0.802 0.000 0.985 343 V HN 0.532 nan 8.190 nan 0.000 0.436 344 V N 5.535 124.782 119.914 -1.111 0.000 2.350 344 V HA 0.405 4.525 4.120 -0.000 0.000 0.276 344 V C -0.437 175.116 176.094 -0.901 0.000 1.028 344 V CA -0.279 61.505 62.300 -0.861 0.000 0.860 344 V CB 0.984 32.427 31.823 -0.634 0.000 0.990 344 V HN 0.719 nan 8.190 nan 0.000 0.453 345 F N 2.823 122.244 119.950 -0.882 0.000 2.425 345 F HA 0.281 4.808 4.527 -0.000 0.000 0.354 345 F C 0.837 176.280 175.800 -0.595 0.000 1.162 345 F CA -0.485 56.944 58.000 -0.952 0.000 1.250 345 F CB 0.405 38.270 39.000 -1.892 0.000 1.579 345 F HN 0.431 nan 8.300 nan 0.000 0.589 346 D N 2.577 122.866 120.400 -0.186 0.000 2.551 346 D HA 0.084 4.724 4.640 -0.000 0.000 0.223 346 D C 1.423 177.757 176.300 0.056 0.000 1.144 346 D CA 0.122 54.092 54.000 -0.050 0.000 1.025 346 D CB 0.259 41.041 40.800 -0.030 0.000 1.085 346 D HN 0.422 nan 8.370 nan 0.000 0.506 347 R N 1.634 122.206 120.500 0.120 0.000 2.096 347 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 347 R C 2.123 178.543 176.300 0.200 0.000 1.127 347 R CA 1.366 57.624 56.100 0.263 0.000 0.968 347 R CB -0.040 30.460 30.300 0.335 0.000 0.861 347 R HN 0.363 nan 8.270 nan 0.000 0.440 348 A N 1.284 124.191 122.820 0.145 0.000 1.908 348 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 348 A C 1.800 179.420 177.584 0.060 0.000 1.181 348 A CA 1.340 53.440 52.037 0.104 0.000 0.627 348 A CB -0.238 18.812 19.000 0.084 0.000 0.818 348 A HN 0.225 nan 8.150 nan 0.000 0.445 349 R N -1.406 119.111 120.500 0.028 0.000 2.427 349 R HA 0.186 4.526 4.340 -0.000 0.000 0.262 349 R C -0.015 176.295 176.300 0.017 0.000 0.943 349 R CA 0.243 56.336 56.100 -0.011 0.000 1.081 349 R CB 0.012 30.255 30.300 -0.094 0.000 1.166 349 R HN 0.502 nan 8.270 nan 0.000 0.534 350 K N 2.021 122.466 120.400 0.074 0.000 3.451 350 K HA -0.237 4.083 4.320 -0.000 0.000 0.273 350 K C -1.078 175.588 176.600 0.110 0.000 0.944 350 K CA 0.793 57.146 56.287 0.108 0.000 0.734 350 K CB -0.647 31.894 32.500 0.068 0.000 1.437 350 K HN 0.450 nan 8.250 nan 0.000 0.454 351 R N 0.065 120.634 120.500 0.114 0.000 2.734 351 R HA 0.622 4.962 4.340 -0.000 0.000 0.271 351 R C -0.955 175.418 176.300 0.122 0.000 1.021 351 R CA -1.171 55.013 56.100 0.139 0.000 0.893 351 R CB 1.118 31.477 30.300 0.099 0.000 1.244 351 R HN 0.081 nan 8.270 nan 0.000 0.464 352 I N 1.118 121.760 120.570 0.121 0.000 2.418 352 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 352 I C 0.050 176.043 176.117 -0.208 0.000 1.008 352 I CA -0.905 60.283 61.300 -0.186 0.000 1.104 352 I CB 2.285 40.111 38.000 -0.290 0.000 1.264 352 I HN 0.871 nan 8.210 nan 0.000 0.438 353 G N 5.334 113.762 108.800 -0.621 0.000 2.367 353 G HA2 0.701 4.661 3.960 -0.000 0.000 0.314 353 G HA3 0.701 4.661 3.960 -0.000 0.000 0.314 353 G C -1.276 173.045 174.900 -0.965 0.000 1.130 353 G CA -0.195 44.246 45.100 -1.098 0.000 0.864 353 G HN 0.330 nan 8.290 nan 0.000 0.486 354 F N 0.506 120.080 119.950 -0.627 0.000 2.540 354 F HA 0.728 5.255 4.527 -0.000 0.000 0.317 354 F C 0.394 176.006 175.800 -0.313 0.000 1.104 354 F CA -0.551 57.205 58.000 -0.407 0.000 0.913 354 F CB 2.722 41.537 39.000 -0.308 0.000 1.170 354 F HN 0.717 nan 8.300 nan 0.000 0.450 355 A N 1.606 124.426 122.820 0.001 0.000 2.572 355 A HA 0.736 5.056 4.320 -0.000 0.000 0.295 355 A C -1.413 176.362 177.584 0.318 0.000 1.072 355 A CA -0.843 51.242 52.037 0.079 0.000 0.691 355 A CB 1.145 20.014 19.000 -0.218 0.000 1.291 355 A HN 0.453 nan 8.150 nan 0.000 0.404 356 V N 1.811 121.907 119.914 0.303 0.000 2.540 356 V HA 0.203 4.323 4.120 -0.000 0.000 0.297 356 V C 1.228 177.423 176.094 0.168 0.000 1.024 356 V CA 0.577 62.989 62.300 0.187 0.000 1.105 356 V CB 1.057 32.925 31.823 0.075 0.000 0.938 356 V HN 0.941 nan 8.190 nan 0.000 0.482 357 S N 4.220 119.954 115.700 0.057 0.000 2.564 357 S HA 0.377 4.846 4.470 -0.000 0.000 0.278 357 S C 1.235 175.932 174.600 0.162 0.000 1.333 357 S CA -0.140 58.128 58.200 0.114 0.000 1.048 357 S CB 1.270 64.498 63.200 0.046 0.000 0.900 357 S HN 0.993 nan 8.310 nan 0.000 0.505 358 A N 3.010 125.879 122.820 0.082 0.000 2.209 358 A HA 0.043 4.363 4.320 -0.000 0.000 0.212 358 A C 1.697 179.297 177.584 0.027 0.000 1.158 358 A CA 0.908 52.972 52.037 0.046 0.000 0.742 358 A CB -1.056 17.929 19.000 -0.025 0.000 0.790 358 A HN 1.220 nan 8.150 nan 0.000 0.472 359 c N -0.889 117.729 118.600 0.030 0.000 2.994 359 c HA 0.372 4.942 4.570 -0.000 0.000 0.284 359 c C 0.736 174.826 174.090 0.000 0.000 1.404 359 c CA -0.399 55.925 56.329 -0.010 0.000 1.775 359 c CB -1.930 40.562 42.510 -0.031 0.000 2.458 359 c HN 0.651 nan 8.230 nan 0.000 0.593 360 H N 0.558 119.595 119.070 -0.055 0.000 2.732 360 H HA 0.508 5.064 4.556 -0.000 0.000 0.351 360 H C -0.760 174.555 175.328 -0.021 0.000 1.090 360 H CA -0.042 55.955 56.048 -0.084 0.000 1.431 360 H CB 0.974 30.637 29.762 -0.165 0.000 1.447 360 H HN 0.170 nan 8.280 nan 0.000 0.582 361 V N 6.328 126.180 119.914 -0.102 0.000 2.530 361 V HA 0.173 4.292 4.120 -0.000 0.000 0.282 361 V C 0.669 176.628 176.094 -0.224 0.000 1.048 361 V CA 0.063 62.222 62.300 -0.235 0.000 0.997 361 V CB 0.372 32.075 31.823 -0.200 0.000 0.987 361 V HN 1.049 nan 8.190 nan 0.000 0.477 362 H N 2.585 121.425 119.070 -0.384 0.000 3.054 362 H HA 0.658 5.213 4.556 -0.000 0.000 0.271 362 H C -1.506 173.620 175.328 -0.337 0.000 1.551 362 H CA -0.772 55.072 56.048 -0.341 0.000 1.196 362 H CB 1.651 31.261 29.762 -0.253 0.000 1.867 362 H HN 0.632 nan 8.280 nan 0.000 0.637 363 D N -1.489 118.845 120.400 -0.110 0.000 2.758 363 D HA 0.124 4.764 4.640 -0.000 0.000 0.279 363 D C 0.723 177.015 176.300 -0.012 0.000 1.111 363 D CA -0.441 53.476 54.000 -0.137 0.000 1.109 363 D CB 0.903 41.669 40.800 -0.057 0.000 1.428 363 D HN 0.725 nan 8.370 nan 0.000 0.586 364 E N -0.923 119.145 120.200 -0.219 0.000 2.482 364 E HA -0.005 4.345 4.350 -0.000 0.000 0.196 364 E C 0.537 176.839 176.600 -0.496 0.000 1.047 364 E CA 0.632 56.800 56.400 -0.386 0.000 0.869 364 E CB -0.437 28.918 29.700 -0.575 0.000 0.836 364 E HN 0.445 nan 8.360 nan 0.000 0.520 365 F N 0.727 120.712 119.950 0.059 0.000 2.622 365 F HA 0.370 4.897 4.527 -0.000 0.000 0.288 365 F C 1.013 176.841 175.800 0.047 0.000 1.120 365 F CA -0.247 57.784 58.000 0.051 0.000 1.423 365 F CB 0.525 39.557 39.000 0.054 0.000 1.127 365 F HN -0.224 nan 8.300 nan 0.000 0.588 366 R N -0.525 120.089 120.500 0.191 0.000 2.740 366 R HA 0.558 4.898 4.340 -0.000 0.000 0.273 366 R C -0.866 175.472 176.300 0.064 0.000 0.998 366 R CA -0.629 55.544 56.100 0.122 0.000 0.900 366 R CB 2.158 32.542 30.300 0.140 0.000 1.223 366 R HN -0.015 nan 8.270 nan 0.000 0.466 367 T N -1.910 112.656 114.554 0.020 0.000 2.901 367 T HA 0.741 5.091 4.350 -0.000 0.000 0.293 367 T C -0.036 174.681 174.700 0.029 0.000 1.084 367 T CA -0.898 61.217 62.100 0.025 0.000 1.008 367 T CB 1.850 70.644 68.868 -0.123 0.000 1.170 367 T HN 0.645 nan 8.240 nan 0.000 0.509 368 A N 0.692 123.453 122.820 -0.099 0.000 2.386 368 A HA 0.779 5.099 4.320 -0.000 0.000 0.246 368 A C 0.492 177.989 177.584 -0.145 0.000 1.089 368 A CA -0.121 51.745 52.037 -0.285 0.000 0.790 368 A CB -0.527 17.991 19.000 -0.802 0.000 1.042 368 A HN 1.799 nan 8.150 nan 0.000 0.497 369 A N -0.379 122.465 122.820 0.040 0.000 2.587 369 A HA 0.657 4.977 4.320 -0.000 0.000 0.293 369 A C -1.306 176.366 177.584 0.147 0.000 1.087 369 A CA -0.410 51.676 52.037 0.082 0.000 0.692 369 A CB 1.518 20.537 19.000 0.032 0.000 1.291 369 A HN 1.405 nan 8.150 nan 0.000 0.407 370 V N 1.606 121.576 119.914 0.093 0.000 2.447 370 V HA 0.524 4.644 4.120 -0.000 0.000 0.292 370 V C -0.625 175.424 176.094 -0.075 0.000 1.021 370 V CA -0.282 62.026 62.300 0.013 0.000 0.850 370 V CB 1.185 33.073 31.823 0.108 0.000 1.005 370 V HN 0.954 nan 8.190 nan 0.000 0.426 371 E N 2.341 122.406 120.200 -0.225 0.000 2.340 371 E HA 0.862 5.212 4.350 -0.000 0.000 0.273 371 E C -0.072 176.133 176.600 -0.658 0.000 0.891 371 E CA -0.685 55.538 56.400 -0.294 0.000 0.757 371 E CB 2.934 32.598 29.700 -0.060 0.000 1.231 371 E HN 0.874 nan 8.360 nan 0.000 0.439 372 G N 1.525 109.775 108.800 -0.917 0.000 2.495 372 G HA2 0.505 4.465 3.960 -0.000 0.000 0.294 372 G HA3 0.505 4.465 3.960 -0.000 0.000 0.294 372 G C -2.973 171.575 174.900 -0.587 0.000 1.397 372 G CA -0.782 43.533 45.100 -1.308 0.000 0.790 372 G HN 0.367 nan 8.290 nan 0.000 0.486 373 P HA 0.788 nan 4.420 nan 0.000 0.285 373 P C -1.621 175.296 177.300 -0.638 0.000 1.285 373 P CA -0.670 62.195 63.100 -0.392 0.000 0.854 373 P CB 1.774 33.550 31.700 0.127 0.000 1.180 374 F N -1.190 118.787 119.950 0.044 0.000 2.540 374 F HA 0.280 4.807 4.527 -0.000 0.000 0.317 374 F C 0.190 176.025 175.800 0.058 0.000 1.104 374 F CA -1.167 56.868 58.000 0.058 0.000 0.913 374 F CB 1.968 41.025 39.000 0.095 0.000 1.170 374 F HN -0.103 nan 8.300 nan 0.000 0.450 375 V N 2.806 122.841 119.914 0.202 0.000 2.397 375 V HA 0.253 4.373 4.120 -0.000 0.000 0.262 375 V C -0.118 176.042 176.094 0.110 0.000 1.047 375 V CA 0.178 62.556 62.300 0.129 0.000 1.003 375 V CB 0.093 31.969 31.823 0.088 0.000 1.037 375 V HN 0.822 nan 8.190 nan 0.000 0.480 376 T N 6.705 121.318 114.554 0.099 0.000 2.863 376 T HA 0.722 5.072 4.350 -0.000 0.000 0.285 376 T C -0.373 174.355 174.700 0.047 0.000 1.009 376 T CA -0.505 61.627 62.100 0.055 0.000 0.989 376 T CB 1.713 70.612 68.868 0.053 0.000 1.004 376 T HN 0.297 nan 8.240 nan 0.000 0.455 377 L N 1.174 122.412 121.223 0.025 0.000 2.303 377 L HA 0.510 4.850 4.340 -0.000 0.000 0.266 377 L C -0.062 176.820 176.870 0.019 0.000 1.011 377 L CA -1.172 53.683 54.840 0.024 0.000 0.818 377 L CB 1.021 43.090 42.059 0.017 0.000 1.326 377 L HN 0.630 nan 8.230 nan 0.000 0.435 378 D N 1.153 121.565 120.400 0.021 0.000 2.702 378 D HA -0.224 4.416 4.640 -0.000 0.000 0.233 378 D C 1.127 177.441 176.300 0.022 0.000 1.164 378 D CA 0.886 54.897 54.000 0.018 0.000 0.638 378 D CB -0.437 40.368 40.800 0.008 0.000 1.041 378 D HN 0.570 nan 8.370 nan 0.000 0.422 379 M N -0.680 118.940 119.600 0.032 0.000 2.460 379 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 379 M C 2.115 178.442 176.300 0.045 0.000 1.071 379 M CA 1.141 56.465 55.300 0.039 0.000 1.096 379 M CB -0.101 32.528 32.600 0.049 0.000 1.408 379 M HN 0.120 nan 8.290 nan 0.000 0.463 380 E N 1.076 121.300 120.200 0.040 0.000 2.204 380 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 380 E C 0.961 177.582 176.600 0.036 0.000 0.989 380 E CA 1.034 57.458 56.400 0.040 0.000 0.824 380 E CB 0.109 29.827 29.700 0.031 0.000 0.756 380 E HN 0.420 nan 8.360 nan 0.000 0.477 381 D N -0.039 120.378 120.400 0.028 0.000 2.371 381 D HA -0.066 4.574 4.640 -0.000 0.000 0.221 381 D C 1.411 177.732 176.300 0.035 0.000 0.986 381 D CA 0.416 54.429 54.000 0.022 0.000 0.899 381 D CB 0.034 40.839 40.800 0.008 0.000 0.902 381 D HN 0.329 nan 8.370 nan 0.000 0.530 382 C N 0.585 119.915 119.300 0.050 0.000 2.485 382 C HA 0.165 4.624 4.460 -0.000 0.000 0.278 382 C C 1.726 176.783 174.990 0.111 0.000 1.356 382 C CA -0.360 58.699 59.018 0.069 0.000 1.747 382 C CB -0.881 26.907 27.740 0.080 0.000 2.001 382 C HN 0.222 nan 8.230 nan 0.000 0.501 383 G N -0.670 108.194 108.800 0.107 0.000 2.432 383 G HA2 0.312 4.272 3.960 -0.000 0.000 0.239 383 G HA3 0.312 4.272 3.960 -0.000 0.000 0.239 383 G C -0.924 174.080 174.900 0.174 0.000 1.291 383 G CA 0.150 45.335 45.100 0.141 0.000 0.863 383 G HN 0.484 nan 8.290 nan 0.000 0.560 384 Y N 2.387 122.745 120.300 0.097 0.000 2.361 384 Y HA 0.448 4.998 4.550 -0.000 0.000 0.332 384 Y C 0.204 176.157 175.900 0.090 0.000 1.101 384 Y CA -1.009 57.156 58.100 0.108 0.000 1.137 384 Y CB 1.156 39.714 38.460 0.163 0.000 1.207 384 Y HN 0.515 nan 8.280 nan 0.000 0.463 385 N N 0.000 118.288 118.700 -0.687 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.761 53.050 -0.482 0.000 0.885 385 N CB 0.000 38.324 38.487 -0.272 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667