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 2v67_1_B DATA FIRST_RESID 9 DATA SEQUENCE AGAGFKAGVK DYRLTYYTPD YVVRDTDILA AFRMTPQPGV PPEECGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTSLD RYKGRCYDIE PVPGEDNQYI AYVAYXIDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPPAYVKTF VGXPHGIQVE DATA SEQUENCE RDKLNKYGRG LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTXDDENVNS DATA SEQUENCE QPFMRWRDRF LFVAEAIYKA QAETGEVKGH YLNATAGTCE EMMKRAVXAK DATA SEQUENCE ELGVPIIMHD YLTGGFTANT SLAIYCRDNG LLLHIHRAMH AVIDRQRNHG DATA SEQUENCE IHFRVLAKAL RMSGGDHLHS GTVVGKLEGE REVILGFVDL MRDDYVEKDR DATA SEQUENCE SRGIYFTQDW XSMPGVMPVA SGGIHVWHMP ALVEIFGDDA CLQFGGGTLG DATA SEQUENCE HPWGNAPGAA ANRVALEACT QARNEGRDLA REGGDVIRSA cKWSPELAAA DATA SEQUENCE cEVWKEIKFE FDTIDKL 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.588 177.584 0.006 0.000 1.274 9 A CA 0.000 52.040 52.037 0.005 0.000 0.836 9 A CB 0.000 19.003 19.000 0.004 0.000 0.831 10 G N 0.327 109.133 108.800 0.010 0.000 2.531 10 G HA2 0.702 4.662 3.960 -0.000 0.000 0.253 10 G HA3 0.702 4.662 3.960 -0.000 0.000 0.253 10 G C 0.570 175.480 174.900 0.016 0.000 1.439 10 G CA 0.053 45.160 45.100 0.012 0.000 1.056 10 G HN 2.143 nan 8.290 nan 0.000 0.555 11 A N -0.484 122.347 122.820 0.019 0.000 2.438 11 A HA 0.602 4.922 4.320 -0.000 0.000 0.280 11 A C 0.755 178.368 177.584 0.048 0.000 1.160 11 A CA 0.442 52.494 52.037 0.026 0.000 0.821 11 A CB -0.388 18.624 19.000 0.021 0.000 1.101 11 A HN 1.169 nan 8.150 nan 0.000 0.515 12 G N 0.653 109.487 108.800 0.056 0.000 2.887 12 G HA2 0.524 4.484 3.960 -0.000 0.000 0.277 12 G HA3 0.524 4.484 3.960 -0.000 0.000 0.277 12 G C -0.652 174.341 174.900 0.155 0.000 1.346 12 G CA -0.717 44.443 45.100 0.099 0.000 1.058 12 G HN 0.670 nan 8.290 nan 0.000 0.535 13 F N 1.133 121.106 119.950 0.039 0.000 2.445 13 F HA 0.501 5.028 4.527 -0.000 0.000 0.359 13 F C 0.370 176.187 175.800 0.027 0.000 1.101 13 F CA -0.855 57.178 58.000 0.055 0.000 1.177 13 F CB 0.859 39.921 39.000 0.104 0.000 1.110 13 F HN 0.150 nan 8.300 nan 0.000 0.522 14 K N 6.388 126.512 120.400 -0.460 0.000 2.483 14 K HA 0.619 4.939 4.320 -0.000 0.000 0.256 14 K C -0.814 175.351 176.600 -0.725 0.000 0.961 14 K CA -0.657 55.287 56.287 -0.572 0.000 0.873 14 K CB 1.138 33.495 32.500 -0.239 0.000 1.107 14 K HN 0.805 nan 8.250 nan 0.000 0.432 15 A N 2.565 124.808 122.820 -0.961 0.000 2.445 15 A HA 0.597 4.917 4.320 -0.000 0.000 0.242 15 A C 0.461 177.909 177.584 -0.227 0.000 1.075 15 A CA 0.895 52.627 52.037 -0.508 0.000 0.777 15 A CB 0.102 18.921 19.000 -0.301 0.000 1.013 15 A HN 0.990 nan 8.150 nan 0.000 0.493 16 G N -0.831 107.889 108.800 -0.133 0.000 2.355 16 G HA2 0.353 4.313 3.960 -0.000 0.000 0.619 16 G HA3 0.353 4.313 3.960 -0.000 0.000 0.619 16 G C -0.991 173.845 174.900 -0.107 0.000 1.337 16 G CA -0.426 44.615 45.100 -0.098 0.000 0.993 16 G HN 1.402 nan 8.290 nan 0.000 0.599 17 V N 1.381 121.260 119.914 -0.058 0.000 2.546 17 V HA 0.661 4.781 4.120 -0.000 0.000 0.284 17 V C 0.648 176.710 176.094 -0.053 0.000 1.050 17 V CA 0.544 62.814 62.300 -0.050 0.000 0.981 17 V CB 1.102 32.965 31.823 0.067 0.000 0.990 17 V HN 1.075 nan 8.190 nan 0.000 0.474 18 K N 1.828 122.176 120.400 -0.087 0.000 2.466 18 K HA 0.618 4.938 4.320 -0.000 0.000 0.260 18 K C -1.408 175.129 176.600 -0.105 0.000 1.011 18 K CA -1.085 55.162 56.287 -0.067 0.000 0.871 18 K CB 1.686 34.158 32.500 -0.047 0.000 1.404 18 K HN 0.329 nan 8.250 nan 0.000 0.450 19 D N 0.960 121.331 120.400 -0.048 0.000 2.443 19 D HA 0.024 4.664 4.640 -0.000 0.000 0.239 19 D C 0.540 176.848 176.300 0.013 0.000 1.136 19 D CA 0.193 54.181 54.000 -0.020 0.000 0.879 19 D CB 0.221 41.041 40.800 0.033 0.000 1.195 19 D HN 0.457 nan 8.370 nan 0.000 0.443 20 Y N 1.246 121.602 120.300 0.093 0.000 2.274 20 Y HA -0.200 4.350 4.550 -0.000 0.000 0.290 20 Y C 2.397 178.420 175.900 0.206 0.000 1.145 20 Y CA 1.149 59.343 58.100 0.158 0.000 1.203 20 Y CB -0.220 38.269 38.460 0.048 0.000 0.984 20 Y HN 0.451 nan 8.280 nan 0.000 0.533 21 R N 0.476 121.140 120.500 0.274 0.000 2.237 21 R HA -0.115 4.225 4.340 -0.000 0.000 0.219 21 R C 1.606 178.022 176.300 0.194 0.000 1.080 21 R CA 1.364 57.600 56.100 0.227 0.000 0.995 21 R CB -1.020 29.348 30.300 0.114 0.000 0.875 21 R HN 0.370 nan 8.270 nan 0.000 0.462 22 L N 0.854 122.157 121.223 0.134 0.000 2.191 22 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 22 L C 1.490 178.372 176.870 0.021 0.000 1.103 22 L CA 1.464 56.346 54.840 0.071 0.000 0.769 22 L CB -0.150 41.933 42.059 0.040 0.000 0.908 22 L HN 0.298 nan 8.230 nan 0.000 0.438 23 T N -3.272 111.288 114.554 0.010 0.000 3.019 23 T HA 0.054 4.404 4.350 -0.000 0.000 0.247 23 T C 0.995 175.476 174.700 -0.365 0.000 0.992 23 T CA 0.238 62.192 62.100 -0.244 0.000 1.036 23 T CB 0.123 68.725 68.868 -0.442 0.000 1.063 23 T HN 0.111 nan 8.240 nan 0.000 0.476 24 Y N -0.288 120.057 120.300 0.074 0.000 2.467 24 Y HA 0.416 4.966 4.550 -0.000 0.000 0.250 24 Y C 0.046 175.999 175.900 0.089 0.000 1.155 24 Y CA -1.125 57.003 58.100 0.046 0.000 1.249 24 Y CB 0.429 38.913 38.460 0.041 0.000 1.146 24 Y HN 0.173 nan 8.280 nan 0.000 0.524 25 Y N 2.298 122.648 120.300 0.084 0.000 2.434 25 Y HA 0.390 4.940 4.550 0.000 0.000 0.341 25 Y C 0.052 175.971 175.900 0.032 0.000 0.965 25 Y CA -1.479 56.650 58.100 0.049 0.000 1.205 25 Y CB 0.588 39.071 38.460 0.039 0.000 1.121 25 Y HN 0.030 nan 8.280 nan 0.000 0.507 26 T N 5.595 119.966 114.554 -0.306 0.000 3.327 26 T HA 0.285 4.635 4.350 -0.000 0.000 0.373 26 T C -2.299 172.248 174.700 -0.255 0.000 1.589 26 T CA -1.906 60.041 62.100 -0.255 0.000 1.497 26 T CB 1.059 69.856 68.868 -0.119 0.000 1.032 26 T HN 0.458 nan 8.240 nan 0.000 0.640 27 P HA 0.045 nan 4.420 nan 0.000 0.230 27 P C 0.264 177.529 177.300 -0.057 0.000 1.158 27 P CA 0.725 63.647 63.100 -0.297 0.000 0.769 27 P CB 0.259 31.728 31.700 -0.386 0.000 0.807 28 D N -1.906 118.468 120.400 -0.043 0.000 2.340 28 D HA 0.005 4.645 4.640 -0.000 0.000 0.217 28 D C 0.389 176.711 176.300 0.037 0.000 1.081 28 D CA -0.332 53.667 54.000 -0.001 0.000 0.842 28 D CB -0.468 40.322 40.800 -0.017 0.000 0.934 28 D HN 0.183 nan 8.370 nan 0.000 0.511 29 Y N 1.858 122.122 120.300 -0.061 0.000 2.526 29 Y HA 0.094 4.644 4.550 -0.000 0.000 0.330 29 Y C -0.131 175.706 175.900 -0.105 0.000 1.156 29 Y CA -0.155 57.898 58.100 -0.078 0.000 1.419 29 Y CB 0.593 39.008 38.460 -0.074 0.000 1.250 29 Y HN -0.330 nan 8.280 nan 0.000 0.540 30 V N 8.625 128.116 119.914 -0.705 0.000 2.364 30 V HA 0.201 4.321 4.120 -0.000 0.000 0.272 30 V C -0.236 175.215 176.094 -1.072 0.000 1.036 30 V CA -0.783 61.125 62.300 -0.652 0.000 0.880 30 V CB 0.682 32.278 31.823 -0.377 0.000 0.991 30 V HN 0.744 nan 8.190 nan 0.000 0.460 31 V N 4.361 123.784 119.914 -0.818 0.000 2.763 31 V HA 0.373 4.493 4.120 -0.000 0.000 0.306 31 V C 0.470 176.330 176.094 -0.390 0.000 1.059 31 V CA -0.455 61.456 62.300 -0.647 0.000 1.138 31 V CB 0.150 31.676 31.823 -0.495 0.000 0.940 31 V HN 0.836 nan 8.190 nan 0.000 0.489 32 R N 2.722 123.087 120.500 -0.226 0.000 2.500 32 R HA 0.318 4.658 4.340 -0.000 0.000 0.275 32 R C 0.248 176.497 176.300 -0.087 0.000 1.051 32 R CA -0.558 55.467 56.100 -0.124 0.000 1.088 32 R CB 0.716 30.991 30.300 -0.043 0.000 1.063 32 R HN 0.771 nan 8.270 nan 0.000 0.511 33 D N 0.529 120.889 120.400 -0.066 0.000 2.371 33 D HA -0.088 4.552 4.640 -0.000 0.000 0.221 33 D C 1.388 177.672 176.300 -0.027 0.000 0.986 33 D CA 1.255 55.227 54.000 -0.047 0.000 0.899 33 D CB 0.159 40.941 40.800 -0.031 0.000 0.902 33 D HN 0.629 nan 8.370 nan 0.000 0.530 34 T N -2.890 111.657 114.554 -0.012 0.000 3.040 34 T HA 0.034 4.384 4.350 -0.000 0.000 0.250 34 T C 0.515 175.225 174.700 0.017 0.000 1.058 34 T CA -0.507 61.600 62.100 0.013 0.000 0.988 34 T CB 0.403 69.292 68.868 0.034 0.000 0.993 34 T HN -0.243 nan 8.240 nan 0.000 0.519 35 D N 1.782 122.187 120.400 0.007 0.000 2.382 35 D HA 0.319 4.959 4.640 -0.000 0.000 0.245 35 D C -0.202 176.087 176.300 -0.018 0.000 1.120 35 D CA -0.375 53.647 54.000 0.037 0.000 0.890 35 D CB 0.747 41.572 40.800 0.042 0.000 1.201 35 D HN 0.203 nan 8.370 nan 0.000 0.433 36 I N 2.279 122.862 120.570 0.022 0.000 2.371 36 I HA 0.118 4.288 4.170 -0.000 0.000 0.290 36 I C 0.125 176.265 176.117 0.039 0.000 1.028 36 I CA -0.088 61.164 61.300 -0.080 0.000 1.345 36 I CB 0.470 38.310 38.000 -0.266 0.000 1.407 36 I HN 0.055 nan 8.210 nan 0.000 0.501 37 L N 6.142 127.257 121.223 -0.180 0.000 2.325 37 L HA 0.877 5.217 4.340 -0.000 0.000 0.278 37 L C -0.041 176.687 176.870 -0.237 0.000 1.023 37 L CA -0.790 53.926 54.840 -0.207 0.000 0.811 37 L CB 1.540 43.263 42.059 -0.561 0.000 1.249 37 L HN 0.656 nan 8.230 nan 0.000 0.431 38 A N 1.949 124.827 122.820 0.097 0.000 2.371 38 A HA 0.856 5.176 4.320 -0.000 0.000 0.311 38 A C -0.662 177.001 177.584 0.132 0.000 1.068 38 A CA -0.539 51.521 52.037 0.039 0.000 0.744 38 A CB 1.686 20.666 19.000 -0.035 0.000 1.239 38 A HN 0.749 nan 8.150 nan 0.000 0.435 39 A N 1.968 124.770 122.820 -0.030 0.000 2.256 39 A HA 0.711 5.031 4.320 -0.000 0.000 0.317 39 A C -1.160 176.097 177.584 -0.544 0.000 1.318 39 A CA -0.258 51.535 52.037 -0.405 0.000 0.894 39 A CB -0.256 18.355 19.000 -0.649 0.000 1.165 39 A HN 0.621 nan 8.150 nan 0.000 0.525 40 F N 1.702 121.456 119.950 -0.327 0.000 2.411 40 F HA 0.427 4.954 4.527 -0.000 0.000 0.352 40 F C 0.965 176.617 175.800 -0.247 0.000 1.123 40 F CA -0.327 57.520 58.000 -0.255 0.000 1.044 40 F CB 1.535 40.394 39.000 -0.235 0.000 1.135 40 F HN 0.596 nan 8.300 nan 0.000 0.461 41 R N 5.236 125.725 120.500 -0.019 0.000 2.242 41 R HA 0.384 4.724 4.340 -0.000 0.000 0.334 41 R C -0.828 175.484 176.300 0.020 0.000 1.071 41 R CA -0.133 55.965 56.100 -0.004 0.000 0.922 41 R CB 0.431 30.733 30.300 0.003 0.000 1.023 41 R HN 0.818 nan 8.270 nan 0.000 0.458 42 M N 3.621 123.240 119.600 0.033 0.000 2.311 42 M HA 0.289 4.769 4.480 -0.000 0.000 0.325 42 M C -1.211 175.137 176.300 0.080 0.000 1.061 42 M CA -0.312 54.995 55.300 0.013 0.000 0.957 42 M CB 2.256 34.847 32.600 -0.014 0.000 1.646 42 M HN 0.431 nan 8.290 nan 0.000 0.434 43 T N 6.089 120.676 114.554 0.055 0.000 2.977 43 T HA 0.463 4.813 4.350 -0.000 0.000 0.346 43 T C -2.658 172.082 174.700 0.066 0.000 1.140 43 T CA -1.152 60.996 62.100 0.080 0.000 1.040 43 T CB 0.706 69.612 68.868 0.063 0.000 1.046 43 T HN 0.410 nan 8.240 nan 0.000 0.494 44 P HA 0.173 nan 4.420 nan 0.000 0.274 44 P C 0.078 177.405 177.300 0.045 0.000 1.237 44 P CA -0.641 62.483 63.100 0.040 0.000 0.793 44 P CB 0.593 32.306 31.700 0.022 0.000 0.977 45 Q N 1.746 121.564 119.800 0.030 0.000 2.394 45 Q HA 0.189 4.529 4.340 -0.000 0.000 0.248 45 Q C -2.004 174.013 176.000 0.029 0.000 0.992 45 Q CA -1.458 54.363 55.803 0.030 0.000 0.888 45 Q CB -0.689 28.065 28.738 0.027 0.000 1.257 45 Q HN 0.320 nan 8.270 nan 0.000 0.462 46 P HA -0.049 nan 4.420 nan 0.000 0.262 46 P C 0.512 177.823 177.300 0.019 0.000 1.182 46 P CA 1.127 64.242 63.100 0.025 0.000 0.761 46 P CB 0.215 31.927 31.700 0.021 0.000 0.795 47 G N 1.283 110.092 108.800 0.016 0.000 2.176 47 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.253 47 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.253 47 G C -0.068 174.834 174.900 0.003 0.000 0.979 47 G CA -0.134 44.972 45.100 0.009 0.000 0.641 47 G HN 0.534 nan 8.290 nan 0.000 0.530 48 V N 2.421 122.334 119.914 -0.001 0.000 2.328 48 V HA 0.456 4.576 4.120 -0.000 0.000 0.278 48 V C -1.623 174.438 176.094 -0.056 0.000 1.021 48 V CA -1.633 60.657 62.300 -0.017 0.000 0.838 48 V CB 1.494 33.313 31.823 -0.007 0.000 0.999 48 V HN 0.125 nan 8.190 nan 0.000 0.447 49 P HA 0.173 nan 4.420 nan 0.000 0.269 49 P C -2.084 175.073 177.300 -0.238 0.000 1.209 49 P CA -1.181 61.833 63.100 -0.145 0.000 0.776 49 P CB 0.234 31.855 31.700 -0.132 0.000 0.876 50 P HA -0.190 nan 4.420 nan 0.000 0.216 50 P C 1.080 178.112 177.300 -0.447 0.000 1.150 50 P CA 1.515 64.276 63.100 -0.565 0.000 0.837 50 P CB 0.048 31.122 31.700 -1.045 0.000 0.786 51 E N -0.488 119.423 120.200 -0.482 0.000 2.077 51 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 51 E C 2.018 178.367 176.600 -0.419 0.000 0.989 51 E CA 1.187 57.176 56.400 -0.685 0.000 0.800 51 E CB -0.680 28.492 29.700 -0.881 0.000 0.746 51 E HN 0.266 nan 8.360 nan 0.000 0.452 52 E N -0.123 119.927 120.200 -0.250 0.000 2.107 52 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 52 E C 1.777 178.306 176.600 -0.119 0.000 0.982 52 E CA 0.864 57.203 56.400 -0.102 0.000 0.809 52 E CB -0.480 29.199 29.700 -0.035 0.000 0.756 52 E HN 0.263 nan 8.360 nan 0.000 0.459 53 C N -0.478 118.714 119.300 -0.179 0.000 2.466 53 C HA 0.104 4.564 4.460 -0.000 0.000 0.278 53 C C 2.603 177.424 174.990 -0.281 0.000 1.288 53 C CA 1.166 60.058 59.018 -0.210 0.000 1.722 53 C CB -1.270 26.362 27.740 -0.181 0.000 2.017 53 C HN 0.675 nan 8.230 nan 0.000 0.488 54 G N -0.091 108.557 108.800 -0.253 0.000 2.418 54 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.217 54 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.217 54 G C 1.913 176.695 174.900 -0.197 0.000 1.158 54 G CA 1.018 45.984 45.100 -0.223 0.000 0.771 54 G HN 0.642 nan 8.290 nan 0.000 0.545 55 A N 1.197 123.939 122.820 -0.129 0.000 1.902 55 A HA 0.254 4.574 4.320 -0.000 0.000 0.217 55 A C 2.812 180.212 177.584 -0.307 0.000 1.181 55 A CA 2.246 54.260 52.037 -0.038 0.000 0.623 55 A CB -0.768 18.310 19.000 0.131 0.000 0.818 55 A HN 0.759 nan 8.150 nan 0.000 0.443 56 A N -0.525 121.981 122.820 -0.524 0.000 1.877 56 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 56 A C 2.234 179.228 177.584 -0.983 0.000 1.186 56 A CA 1.811 53.165 52.037 -1.139 0.000 0.620 56 A CB -1.016 17.438 19.000 -0.911 0.000 0.822 56 A HN 0.400 nan 8.150 nan 0.000 0.443 57 V N -0.106 119.367 119.914 -0.735 0.000 2.287 57 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 57 V C 3.058 178.837 176.094 -0.524 0.000 1.053 57 V CA 2.109 63.977 62.300 -0.719 0.000 1.027 57 V CB -1.249 30.086 31.823 -0.814 0.000 0.646 57 V HN 0.631 nan 8.190 nan 0.000 0.447 58 A N -0.261 122.320 122.820 -0.398 0.000 1.898 58 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 58 A C 2.415 179.808 177.584 -0.319 0.000 1.181 58 A CA 2.028 53.919 52.037 -0.242 0.000 0.620 58 A CB -0.758 18.173 19.000 -0.116 0.000 0.819 58 A HN 0.564 nan 8.150 nan 0.000 0.442 59 A N -0.388 122.032 122.820 -0.666 0.000 1.858 59 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 59 A C 1.851 179.112 177.584 -0.538 0.000 1.190 59 A CA 1.543 52.919 52.037 -1.101 0.000 0.617 59 A CB -0.394 17.802 19.000 -1.341 0.000 0.827 59 A HN 0.459 nan 8.150 nan 0.000 0.443 60 E N 0.336 120.240 120.200 -0.494 0.000 2.502 60 E HA -0.027 4.323 4.350 -0.000 0.000 0.194 60 E C 1.371 177.887 176.600 -0.140 0.000 1.062 60 E CA 0.855 57.092 56.400 -0.273 0.000 0.867 60 E CB -0.042 29.413 29.700 -0.408 0.000 0.888 60 E HN 0.710 nan 8.360 nan 0.000 0.510 61 S N -0.867 114.763 115.700 -0.117 0.000 2.568 61 S HA 0.131 4.601 4.470 -0.000 0.000 0.232 61 S C 1.389 176.053 174.600 0.108 0.000 0.975 61 S CA 0.255 58.477 58.200 0.037 0.000 0.949 61 S CB 0.310 63.592 63.200 0.137 0.000 0.829 61 S HN 0.137 nan 8.310 nan 0.000 0.479 62 S N 1.319 117.051 115.700 0.053 0.000 4.207 62 S HA 0.168 4.638 4.470 -0.000 0.000 0.177 62 S C 1.349 175.967 174.600 0.030 0.000 0.981 62 S CA 0.582 58.830 58.200 0.081 0.000 1.097 62 S CB -0.193 63.121 63.200 0.190 0.000 1.525 62 S HN 0.554 nan 8.310 nan 0.000 0.686 63 T N -1.140 113.448 114.554 0.057 0.000 3.009 63 T HA 0.476 4.826 4.350 -0.000 0.000 0.267 63 T C 0.760 175.508 174.700 0.080 0.000 0.942 63 T CA 0.407 62.555 62.100 0.081 0.000 0.883 63 T CB 0.207 69.180 68.868 0.176 0.000 1.192 63 T HN 0.719 nan 8.240 nan 0.000 0.524 64 G N 0.291 109.096 108.800 0.008 0.000 2.434 64 G HA2 0.574 4.534 3.960 -0.000 0.000 0.330 64 G HA3 0.574 4.534 3.960 -0.000 0.000 0.330 64 G C -0.874 174.073 174.900 0.079 0.000 1.155 64 G CA -0.283 44.843 45.100 0.045 0.000 0.917 64 G HN 0.271 nan 8.290 nan 0.000 0.493 65 T N -0.900 113.730 114.554 0.127 0.000 2.676 65 T HA 0.422 4.772 4.350 -0.000 0.000 0.269 65 T C 0.781 175.609 174.700 0.213 0.000 0.952 65 T CA -0.489 61.729 62.100 0.197 0.000 1.040 65 T CB 0.783 69.719 68.868 0.113 0.000 1.352 65 T HN 0.674 nan 8.240 nan 0.000 0.554 66 W N 0.631 122.025 121.300 0.157 0.000 2.678 66 W HA 0.273 4.933 4.660 0.000 0.000 0.256 66 W C 0.319 176.809 176.519 -0.048 0.000 1.280 66 W CA 0.440 57.832 57.345 0.078 0.000 1.345 66 W CB -0.999 28.529 29.460 0.113 0.000 1.118 66 W HN 0.519 nan 8.180 nan 0.000 0.629 67 T N 0.934 115.050 114.554 -0.730 0.000 2.896 67 T HA 0.326 4.676 4.350 -0.000 0.000 0.297 67 T C -0.487 173.988 174.700 -0.375 0.000 1.108 67 T CA -0.344 61.338 62.100 -0.697 0.000 1.004 67 T CB 1.858 69.934 68.868 -1.320 0.000 1.159 67 T HN -0.219 nan 8.240 nan 0.000 0.499 68 T N 2.743 117.187 114.554 -0.183 0.000 2.834 68 T HA 0.433 4.783 4.350 -0.000 0.000 0.298 68 T C 0.251 175.023 174.700 0.120 0.000 0.966 68 T CA -0.374 61.727 62.100 0.002 0.000 1.141 68 T CB 0.070 68.977 68.868 0.065 0.000 0.905 68 T HN 0.634 nan 8.240 nan 0.000 0.535 69 V N 3.150 123.092 119.914 0.047 0.000 2.547 69 V HA 0.460 4.580 4.120 -0.000 0.000 0.299 69 V C 1.246 177.208 176.094 -0.220 0.000 1.040 69 V CA -1.183 61.062 62.300 -0.091 0.000 0.913 69 V CB 1.240 32.919 31.823 -0.239 0.000 0.992 69 V HN 1.047 nan 8.190 nan 0.000 0.449 70 W N 2.629 123.483 121.300 -0.742 0.000 2.425 70 W HA -0.106 4.554 4.660 -0.000 0.000 0.277 70 W C 1.389 177.671 176.519 -0.394 0.000 1.231 70 W CA 1.440 58.180 57.345 -1.008 0.000 1.248 70 W CB -1.603 26.923 29.460 -1.557 0.000 1.117 70 W HN 0.745 nan 8.180 nan 0.000 0.568 71 T N -1.055 112.884 114.554 -1.025 0.000 3.007 71 T HA -0.186 4.164 4.350 -0.000 0.000 0.270 71 T C 1.118 175.597 174.700 -0.368 0.000 1.107 71 T CA 1.452 62.988 62.100 -0.940 0.000 1.118 71 T CB -0.586 67.648 68.868 -1.058 0.000 0.889 71 T HN -0.084 nan 8.240 nan 0.000 0.506 72 D N 2.145 122.406 120.400 -0.233 0.000 2.158 72 D HA -0.067 4.573 4.640 -0.000 0.000 0.197 72 D C 2.306 178.589 176.300 -0.027 0.000 0.995 72 D CA 1.483 55.432 54.000 -0.086 0.000 0.846 72 D CB -0.878 39.908 40.800 -0.023 0.000 0.941 72 D HN 0.608 nan 8.370 nan 0.000 0.456 73 G N -0.022 108.780 108.800 0.005 0.000 2.534 73 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.217 73 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.217 73 G C 1.615 176.545 174.900 0.050 0.000 1.128 73 G CA -0.012 45.120 45.100 0.054 0.000 0.784 73 G HN 0.273 nan 8.290 nan 0.000 0.542 74 L N -0.245 120.993 121.223 0.024 0.000 2.313 74 L HA 0.156 4.496 4.340 -0.000 0.000 0.214 74 L C 1.748 178.630 176.870 0.020 0.000 1.119 74 L CA 0.485 55.342 54.840 0.027 0.000 0.809 74 L CB -0.036 42.024 42.059 0.002 0.000 0.933 74 L HN 0.205 nan 8.230 nan 0.000 0.449 75 T N -2.280 112.284 114.554 0.017 0.000 2.718 75 T HA 0.284 4.634 4.350 -0.000 0.000 0.267 75 T C -0.318 174.435 174.700 0.089 0.000 0.957 75 T CA -0.464 61.676 62.100 0.067 0.000 1.025 75 T CB 1.904 70.803 68.868 0.052 0.000 1.355 75 T HN -0.108 nan 8.240 nan 0.000 0.572 76 S N 1.692 117.486 115.700 0.156 0.000 2.577 76 S HA 0.335 4.805 4.470 -0.000 0.000 0.294 76 S C 0.947 175.600 174.600 0.088 0.000 1.161 76 S CA -0.699 57.543 58.200 0.070 0.000 1.143 76 S CB 0.119 63.313 63.200 -0.010 0.000 0.991 76 S HN 0.568 nan 8.310 nan 0.000 0.475 77 L N 4.097 125.355 121.223 0.057 0.000 2.079 77 L HA -0.037 4.303 4.340 -0.000 0.000 0.210 77 L C 1.794 178.642 176.870 -0.036 0.000 1.081 77 L CA 1.941 56.804 54.840 0.039 0.000 0.752 77 L CB -0.495 41.554 42.059 -0.017 0.000 0.896 77 L HN 0.589 nan 8.230 nan 0.000 0.433 78 D N -1.001 119.353 120.400 -0.077 0.000 2.158 78 D HA -0.241 4.399 4.640 -0.000 0.000 0.197 78 D C 2.315 178.525 176.300 -0.150 0.000 0.995 78 D CA 1.132 55.064 54.000 -0.114 0.000 0.846 78 D CB -0.107 40.639 40.800 -0.090 0.000 0.941 78 D HN 0.318 nan 8.370 nan 0.000 0.456 79 R N -0.923 119.446 120.500 -0.219 0.000 2.115 79 R HA -0.115 4.225 4.340 -0.000 0.000 0.226 79 R C 1.365 177.380 176.300 -0.476 0.000 1.100 79 R CA 1.054 56.903 56.100 -0.420 0.000 0.980 79 R CB 0.058 29.951 30.300 -0.678 0.000 0.875 79 R HN 0.237 nan 8.270 nan 0.000 0.445 80 Y N 0.320 120.598 120.300 -0.037 0.000 2.483 80 Y HA 0.149 4.699 4.550 -0.000 0.000 0.258 80 Y C 0.144 176.037 175.900 -0.012 0.000 1.083 80 Y CA -0.296 57.788 58.100 -0.028 0.000 1.283 80 Y CB 0.208 38.651 38.460 -0.029 0.000 1.178 80 Y HN -0.073 nan 8.280 nan 0.000 0.515 81 K N 1.290 121.753 120.400 0.105 0.000 2.436 81 K HA 0.311 4.631 4.320 -0.000 0.000 0.275 81 K C 0.610 177.248 176.600 0.063 0.000 0.999 81 K CA 0.123 56.488 56.287 0.130 0.000 0.980 81 K CB 0.591 33.094 32.500 0.005 0.000 0.919 81 K HN 0.138 nan 8.250 nan 0.000 0.484 82 G N 2.512 111.388 108.800 0.127 0.000 2.527 82 G HA2 0.218 4.178 3.960 -0.000 0.000 0.248 82 G HA3 0.218 4.178 3.960 -0.000 0.000 0.248 82 G C -0.780 174.099 174.900 -0.034 0.000 1.231 82 G CA -0.895 44.162 45.100 -0.072 0.000 0.838 82 G HN 0.653 nan 8.290 nan 0.000 0.570 83 R N 0.447 120.847 120.500 -0.166 0.000 2.483 83 R HA 0.259 4.599 4.340 -0.000 0.000 0.303 83 R C -1.025 175.299 176.300 0.040 0.000 0.987 83 R CA -0.647 55.393 56.100 -0.099 0.000 0.881 83 R CB 1.723 31.802 30.300 -0.368 0.000 1.177 83 R HN 0.521 nan 8.270 nan 0.000 0.451 84 C N 5.261 124.617 119.300 0.093 0.000 2.520 84 C HA 0.175 4.635 4.460 -0.000 0.000 0.369 84 C C 1.073 176.170 174.990 0.178 0.000 1.244 84 C CA -0.389 58.715 59.018 0.142 0.000 1.677 84 C CB -1.225 26.622 27.740 0.178 0.000 2.324 84 C HN 0.976 nan 8.230 nan 0.000 0.557 85 Y N 2.033 122.409 120.300 0.127 0.000 2.444 85 Y HA 0.529 5.079 4.550 0.000 0.000 0.249 85 Y C 0.225 176.193 175.900 0.114 0.000 1.134 85 Y CA -0.438 57.713 58.100 0.086 0.000 1.261 85 Y CB -0.005 38.566 38.460 0.185 0.000 1.143 85 Y HN 0.523 nan 8.280 nan 0.000 0.523 86 D N 0.433 120.751 120.400 -0.136 0.000 2.769 86 D HA 0.446 5.086 4.640 -0.000 0.000 0.219 86 D C -1.717 174.687 176.300 0.174 0.000 1.245 86 D CA -0.397 53.606 54.000 0.005 0.000 0.801 86 D CB 1.890 42.587 40.800 -0.172 0.000 1.598 86 D HN 0.167 nan 8.370 nan 0.000 0.485 87 I N 2.216 122.914 120.570 0.214 0.000 2.478 87 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 87 I C -0.367 175.885 176.117 0.225 0.000 1.042 87 I CA -0.600 60.820 61.300 0.200 0.000 1.067 87 I CB 1.992 40.042 38.000 0.083 0.000 1.233 87 I HN 0.141 nan 8.210 nan 0.000 0.431 88 E N 7.762 128.127 120.200 0.274 0.000 2.166 88 E HA 0.380 4.730 4.350 -0.000 0.000 0.275 88 E C -2.430 174.312 176.600 0.238 0.000 0.941 88 E CA -1.874 54.669 56.400 0.239 0.000 0.784 88 E CB 1.638 31.494 29.700 0.260 0.000 1.115 88 E HN 0.255 nan 8.360 nan 0.000 0.399 89 P HA 0.033 nan 4.420 nan 0.000 0.274 89 P C -0.437 176.850 177.300 -0.022 0.000 1.231 89 P CA -0.294 62.837 63.100 0.052 0.000 0.790 89 P CB 0.840 32.571 31.700 0.051 0.000 0.951 90 V N 4.683 124.520 119.914 -0.128 0.000 2.383 90 V HA 0.214 4.334 4.120 -0.000 0.000 0.275 90 V C -1.770 174.283 176.094 -0.069 0.000 1.036 90 V CA -1.819 60.439 62.300 -0.070 0.000 0.889 90 V CB 0.711 32.489 31.823 -0.074 0.000 0.985 90 V HN 0.573 nan 8.190 nan 0.000 0.459 91 P HA 0.210 nan 4.420 nan 0.000 0.267 91 P C 0.867 178.151 177.300 -0.028 0.000 1.209 91 P CA 0.986 64.069 63.100 -0.028 0.000 0.763 91 P CB 0.968 32.659 31.700 -0.016 0.000 0.816 92 G N 1.948 110.730 108.800 -0.030 0.000 2.194 92 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.236 92 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.236 92 G C -0.153 174.727 174.900 -0.034 0.000 0.987 92 G CA -0.320 44.766 45.100 -0.023 0.000 0.635 92 G HN 0.564 nan 8.290 nan 0.000 0.520 93 E N 0.508 120.672 120.200 -0.060 0.000 2.210 93 E HA 0.456 4.806 4.350 -0.000 0.000 0.266 93 E C -0.033 176.497 176.600 -0.118 0.000 0.883 93 E CA -0.406 55.945 56.400 -0.081 0.000 0.761 93 E CB 1.576 31.217 29.700 -0.098 0.000 1.156 93 E HN 0.238 nan 8.360 nan 0.000 0.412 94 D N 1.074 121.421 120.400 -0.088 0.000 2.194 94 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 94 D C 0.842 177.068 176.300 -0.123 0.000 0.964 94 D CA 0.812 54.764 54.000 -0.080 0.000 0.846 94 D CB 0.214 40.995 40.800 -0.031 0.000 0.962 94 D HN 0.180 nan 8.370 nan 0.000 0.490 95 N N -0.190 118.430 118.700 -0.134 0.000 2.433 95 N HA 0.112 4.852 4.740 -0.000 0.000 0.270 95 N C -1.228 174.182 175.510 -0.168 0.000 1.354 95 N CA -0.084 52.907 53.050 -0.099 0.000 0.889 95 N CB 0.414 38.911 38.487 0.018 0.000 1.285 95 N HN -0.009 nan 8.380 nan 0.000 0.503 96 Q N 0.203 119.774 119.800 -0.382 0.000 2.342 96 Q HA 0.417 4.756 4.340 -0.000 0.000 0.267 96 Q C -1.424 174.224 176.000 -0.588 0.000 1.038 96 Q CA -0.665 54.963 55.803 -0.293 0.000 0.832 96 Q CB 1.948 30.603 28.738 -0.138 0.000 1.323 96 Q HN 0.235 nan 8.270 nan 0.000 0.448 97 Y N 0.967 121.263 120.300 -0.008 0.000 2.504 97 Y HA 0.393 4.943 4.550 -0.000 0.000 0.344 97 Y C -0.461 175.421 175.900 -0.030 0.000 1.023 97 Y CA -1.111 56.983 58.100 -0.010 0.000 1.020 97 Y CB 1.419 39.865 38.460 -0.023 0.000 1.282 97 Y HN 0.419 nan 8.280 nan 0.000 0.454 98 I N 2.896 123.538 120.570 0.120 0.000 2.297 98 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 98 I C 0.195 176.247 176.117 -0.108 0.000 1.033 98 I CA -0.663 60.607 61.300 -0.049 0.000 1.253 98 I CB 0.288 38.242 38.000 -0.076 0.000 1.396 98 I HN 0.694 nan 8.210 nan 0.000 0.476 99 A N 7.488 130.230 122.820 -0.129 0.000 2.274 99 A HA 0.595 4.915 4.320 -0.000 0.000 0.309 99 A C -1.108 176.365 177.584 -0.185 0.000 1.226 99 A CA -0.333 51.654 52.037 -0.083 0.000 0.853 99 A CB 0.211 19.183 19.000 -0.046 0.000 1.146 99 A HN 0.537 nan 8.150 nan 0.000 0.518 100 Y N 1.730 121.978 120.300 -0.087 0.000 2.335 100 Y HA 0.474 5.024 4.550 -0.000 0.000 0.339 100 Y C 0.091 175.862 175.900 -0.215 0.000 0.987 100 Y CA -0.316 57.663 58.100 -0.202 0.000 1.140 100 Y CB 1.796 39.889 38.460 -0.612 0.000 1.173 100 Y HN 0.393 nan 8.280 nan 0.000 0.486 101 V N 3.135 123.184 119.914 0.224 0.000 2.540 101 V HA 0.787 4.907 4.120 -0.000 0.000 0.302 101 V C -0.378 175.822 176.094 0.176 0.000 1.035 101 V CA -1.050 61.340 62.300 0.149 0.000 0.873 101 V CB 1.649 33.485 31.823 0.023 0.000 0.992 101 V HN 0.834 nan 8.190 nan 0.000 0.428 102 A N 4.300 127.177 122.820 0.095 0.000 2.303 102 A HA 0.877 5.197 4.320 -0.000 0.000 0.320 102 A C -1.267 176.185 177.584 -0.219 0.000 1.192 102 A CA -0.333 51.712 52.037 0.015 0.000 0.821 102 A CB 0.540 19.580 19.000 0.065 0.000 1.188 102 A HN 0.716 nan 8.150 nan 0.000 0.492 106 D N 1.673 122.158 120.400 0.141 0.000 2.311 106 D HA -0.046 4.594 4.640 -0.000 0.000 0.212 106 D C 1.998 178.332 176.300 0.056 0.000 0.972 106 D CA 1.236 55.320 54.000 0.140 0.000 0.887 106 D CB 0.031 40.971 40.800 0.233 0.000 0.915 106 D HN 0.436 nan 8.370 nan 0.000 0.497 107 L N -0.897 120.265 121.223 -0.102 0.000 2.478 107 L HA 0.030 4.370 4.340 -0.000 0.000 0.223 107 L C 0.117 176.634 176.870 -0.589 0.000 1.140 107 L CA 0.306 54.889 54.840 -0.429 0.000 0.842 107 L CB -0.081 41.560 42.059 -0.697 0.000 0.953 107 L HN -0.103 nan 8.230 nan 0.000 0.452 108 F N -0.432 119.484 119.950 -0.056 0.000 2.480 108 F HA 0.307 4.834 4.527 -0.000 0.000 0.329 108 F C 0.621 176.463 175.800 0.070 0.000 1.091 108 F CA -1.156 56.809 58.000 -0.057 0.000 0.972 108 F CB 1.103 39.903 39.000 -0.333 0.000 1.150 108 F HN -0.196 nan 8.300 nan 0.000 0.467 109 E N 1.821 122.192 120.200 0.286 0.000 2.324 109 E HA 0.103 4.453 4.350 -0.000 0.000 0.271 109 E C -0.754 175.990 176.600 0.240 0.000 1.028 109 E CA -0.505 56.014 56.400 0.198 0.000 0.890 109 E CB 0.538 30.308 29.700 0.115 0.000 1.004 109 E HN 0.500 nan 8.360 nan 0.000 0.431 110 E N 2.469 122.740 120.200 0.118 0.000 2.465 110 E HA 0.151 4.501 4.350 -0.000 0.000 0.260 110 E C 0.909 177.266 176.600 -0.404 0.000 0.980 110 E CA 1.331 57.675 56.400 -0.094 0.000 0.927 110 E CB 0.548 30.200 29.700 -0.079 0.000 0.934 110 E HN 0.810 nan 8.360 nan 0.000 0.459 111 G N 2.557 110.691 108.800 -1.111 0.000 2.184 111 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.264 111 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.264 111 G C 0.383 174.869 174.900 -0.690 0.000 0.975 111 G CA 0.408 44.696 45.100 -1.353 0.000 0.642 111 G HN 0.586 nan 8.290 nan 0.000 0.536 112 S N -0.218 115.316 115.700 -0.276 0.000 2.528 112 S HA 0.550 5.020 4.470 -0.000 0.000 0.303 112 S C 1.517 176.304 174.600 0.312 0.000 1.123 112 S CA 0.149 58.415 58.200 0.111 0.000 1.138 112 S CB 1.250 64.505 63.200 0.091 0.000 0.984 112 S HN 0.586 nan 8.310 nan 0.000 0.474 113 V N 4.899 124.983 119.914 0.283 0.000 2.407 113 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 113 V C 2.584 178.616 176.094 -0.103 0.000 1.055 113 V CA 2.439 64.729 62.300 -0.018 0.000 1.049 113 V CB -1.083 30.437 31.823 -0.505 0.000 0.662 113 V HN 0.846 nan 8.190 nan 0.000 0.455 114 T N 0.195 114.724 114.554 -0.042 0.000 2.624 114 T HA -0.293 4.057 4.350 -0.000 0.000 0.268 114 T C 1.926 176.711 174.700 0.141 0.000 1.041 114 T CA 2.101 64.233 62.100 0.052 0.000 1.159 114 T CB -0.525 68.407 68.868 0.107 0.000 0.863 114 T HN 0.578 nan 8.240 nan 0.000 0.434 115 N N 0.512 119.314 118.700 0.171 0.000 2.120 115 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 115 N C 2.123 177.803 175.510 0.284 0.000 1.024 115 N CA 1.271 54.442 53.050 0.202 0.000 0.852 115 N CB -0.243 38.367 38.487 0.203 0.000 1.003 115 N HN 0.409 nan 8.380 nan 0.000 0.424 116 M N -0.251 119.563 119.600 0.356 0.000 2.080 116 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 116 M C 1.606 178.050 176.300 0.240 0.000 1.068 116 M CA 1.657 57.158 55.300 0.335 0.000 1.109 116 M CB -0.196 32.521 32.600 0.194 0.000 1.342 116 M HN 0.046 nan 8.290 nan 0.000 0.405 117 F N 0.439 120.390 119.950 0.002 0.000 2.134 117 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 117 F C 2.520 178.346 175.800 0.044 0.000 1.097 117 F CA 1.918 59.916 58.000 -0.004 0.000 1.264 117 F CB -1.216 37.763 39.000 -0.035 0.000 1.001 117 F HN 0.187 nan 8.300 nan 0.000 0.479 118 T N -1.116 113.582 114.554 0.240 0.000 2.699 118 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 118 T C 2.316 177.078 174.700 0.103 0.000 1.036 118 T CA 1.763 63.955 62.100 0.154 0.000 1.147 118 T CB -0.485 68.456 68.868 0.123 0.000 0.862 118 T HN 0.159 nan 8.240 nan 0.000 0.446 119 S N 0.765 116.510 115.700 0.076 0.000 2.329 119 S HA 0.093 4.563 4.470 -0.000 0.000 0.215 119 S C 2.080 176.683 174.600 0.006 0.000 1.031 119 S CA 0.807 59.006 58.200 -0.002 0.000 0.985 119 S CB -0.337 62.796 63.200 -0.112 0.000 0.917 119 S HN 0.402 nan 8.310 nan 0.000 0.441 120 I N 1.535 122.087 120.570 -0.030 0.000 2.394 120 I HA -0.082 4.088 4.170 -0.000 0.000 0.251 120 I C 1.627 177.890 176.117 0.245 0.000 1.136 120 I CA 1.033 62.343 61.300 0.017 0.000 1.425 120 I CB -0.121 37.786 38.000 -0.155 0.000 1.079 120 I HN 0.261 nan 8.210 nan 0.000 0.425 121 V N -3.145 116.864 119.914 0.158 0.000 3.253 121 V HA 0.471 4.591 4.120 -0.000 0.000 0.320 121 V C 1.614 177.827 176.094 0.198 0.000 1.442 121 V CA 0.263 62.721 62.300 0.263 0.000 1.097 121 V CB -0.367 31.418 31.823 -0.063 0.000 1.008 121 V HN 0.221 nan 8.190 nan 0.000 0.463 122 G N 1.892 110.799 108.800 0.178 0.000 2.484 122 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 122 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 122 G C 1.192 176.199 174.900 0.177 0.000 1.219 122 G CA 1.464 46.654 45.100 0.150 0.000 0.791 122 G HN 0.549 nan 8.290 nan 0.000 0.550 123 N N -0.521 118.306 118.700 0.212 0.000 2.297 123 N HA 0.010 4.749 4.740 -0.000 0.000 0.208 123 N C 2.228 177.954 175.510 0.361 0.000 1.176 123 N CA 0.856 54.061 53.050 0.258 0.000 0.882 123 N CB 0.439 39.081 38.487 0.260 0.000 1.134 123 N HN 0.286 nan 8.380 nan 0.000 0.489 124 V N -1.252 118.811 119.914 0.249 0.000 2.720 124 V HA -0.030 4.090 4.120 -0.000 0.000 0.256 124 V C 1.636 177.781 176.094 0.086 0.000 1.082 124 V CA 1.234 63.542 62.300 0.013 0.000 1.101 124 V CB -1.148 30.454 31.823 -0.368 0.000 0.693 124 V HN -0.078 nan 8.190 nan 0.000 0.479 125 F N 2.450 122.460 119.950 0.100 0.000 2.502 125 F HA 0.304 4.831 4.527 -0.000 0.000 0.298 125 F C 2.333 178.267 175.800 0.223 0.000 1.111 125 F CA 1.095 59.179 58.000 0.140 0.000 1.445 125 F CB -0.644 38.427 39.000 0.117 0.000 1.081 125 F HN 0.334 nan 8.300 nan 0.000 0.558 126 G N -1.628 107.395 108.800 0.371 0.000 3.126 126 G HA2 0.030 3.990 3.960 -0.000 0.000 0.224 126 G HA3 0.030 3.990 3.960 -0.000 0.000 0.224 126 G C 0.141 175.135 174.900 0.157 0.000 1.142 126 G CA -0.204 45.033 45.100 0.229 0.000 0.759 126 G HN 0.019 nan 8.290 nan 0.000 0.550 127 F N 1.442 121.404 119.950 0.020 0.000 2.538 127 F HA 0.223 4.750 4.527 -0.000 0.000 0.371 127 F C 1.747 177.540 175.800 -0.011 0.000 1.087 127 F CA 0.021 58.012 58.000 -0.015 0.000 1.250 127 F CB 1.167 40.128 39.000 -0.064 0.000 1.110 127 F HN -0.052 nan 8.300 nan 0.000 0.570 128 K N 2.682 123.097 120.400 0.025 0.000 2.152 128 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 128 K C 1.969 178.610 176.600 0.068 0.000 1.048 128 K CA 1.358 57.658 56.287 0.022 0.000 0.933 128 K CB -0.173 32.308 32.500 -0.031 0.000 0.721 128 K HN 0.716 nan 8.250 nan 0.000 0.447 129 A N 1.184 124.081 122.820 0.128 0.000 2.172 129 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 129 A C 0.753 178.372 177.584 0.058 0.000 1.154 129 A CA 0.593 52.690 52.037 0.100 0.000 0.701 129 A CB -0.519 18.566 19.000 0.140 0.000 0.789 129 A HN 0.253 nan 8.150 nan 0.000 0.465 130 L N -5.865 115.398 121.223 0.066 0.000 2.341 130 L HA 0.678 5.018 4.340 -0.000 0.000 0.267 130 L C 0.556 177.457 176.870 0.051 0.000 1.009 130 L CA -0.783 54.076 54.840 0.031 0.000 0.819 130 L CB 1.365 43.410 42.059 -0.024 0.000 1.323 130 L HN -0.028 nan 8.230 nan 0.000 0.425 131 R N 1.359 121.888 120.500 0.048 0.000 2.189 131 R HA 0.659 4.999 4.340 -0.000 0.000 0.203 131 R C -0.011 176.335 176.300 0.078 0.000 1.012 131 R CA 0.686 56.816 56.100 0.050 0.000 1.015 131 R CB 0.426 30.750 30.300 0.041 0.000 0.938 131 R HN 0.857 nan 8.270 nan 0.000 0.472 132 A N 0.743 123.635 122.820 0.119 0.000 2.605 132 A HA 0.603 4.923 4.320 -0.000 0.000 0.294 132 A C -2.073 175.611 177.584 0.168 0.000 1.062 132 A CA -0.624 51.569 52.037 0.261 0.000 0.682 132 A CB 1.690 20.816 19.000 0.209 0.000 1.278 132 A HN 0.046 nan 8.150 nan 0.000 0.410 133 L N 0.674 121.999 121.223 0.171 0.000 2.526 133 L HA 0.775 5.115 4.340 -0.000 0.000 0.263 133 L C -0.722 176.066 176.870 -0.137 0.000 0.943 133 L CA -0.091 54.641 54.840 -0.179 0.000 0.859 133 L CB 1.926 43.611 42.059 -0.623 0.000 1.313 133 L HN 0.831 nan 8.230 nan 0.000 0.406 134 R N 4.171 124.680 120.500 0.016 0.000 2.538 134 R HA 0.535 4.875 4.340 -0.000 0.000 0.292 134 R C -1.799 174.576 176.300 0.125 0.000 1.008 134 R CA -0.903 55.285 56.100 0.147 0.000 0.896 134 R CB 1.731 32.095 30.300 0.107 0.000 1.187 134 R HN 0.672 nan 8.270 nan 0.000 0.440 135 L N 4.734 126.067 121.223 0.183 0.000 2.325 135 L HA 0.207 4.547 4.340 -0.000 0.000 0.284 135 L C 0.827 177.607 176.870 -0.149 0.000 1.089 135 L CA 0.587 55.351 54.840 -0.127 0.000 0.836 135 L CB 0.988 42.959 42.059 -0.146 0.000 1.184 135 L HN 0.694 nan 8.230 nan 0.000 0.444 136 E N 2.308 122.318 120.200 -0.317 0.000 2.140 136 E HA 0.076 4.426 4.350 -0.000 0.000 0.191 136 E C -0.182 176.225 176.600 -0.322 0.000 0.973 136 E CA 0.563 56.739 56.400 -0.372 0.000 0.829 136 E CB 0.382 29.589 29.700 -0.822 0.000 0.781 136 E HN 0.690 nan 8.360 nan 0.000 0.466 137 D N -1.156 119.060 120.400 -0.306 0.000 2.622 137 D HA 0.398 5.038 4.640 -0.000 0.000 0.255 137 D C -1.511 174.849 176.300 0.099 0.000 1.246 137 D CA -0.477 53.502 54.000 -0.036 0.000 0.795 137 D CB 1.465 42.293 40.800 0.047 0.000 1.369 137 D HN -0.154 nan 8.370 nan 0.000 0.425 138 L N 1.382 122.674 121.223 0.114 0.000 2.410 138 L HA 0.488 4.828 4.340 -0.000 0.000 0.270 138 L C -0.200 176.579 176.870 -0.151 0.000 0.983 138 L CA -0.896 53.905 54.840 -0.066 0.000 0.822 138 L CB 2.219 44.181 42.059 -0.161 0.000 1.285 138 L HN 0.174 nan 8.230 nan 0.000 0.409 139 R N 4.429 124.602 120.500 -0.544 0.000 2.205 139 R HA 0.345 4.685 4.340 -0.000 0.000 0.342 139 R C -0.855 175.229 176.300 -0.360 0.000 1.058 139 R CA -0.620 55.184 56.100 -0.493 0.000 0.904 139 R CB 0.343 30.186 30.300 -0.762 0.000 1.089 139 R HN 0.422 nan 8.270 nan 0.000 0.471 140 I N 7.718 128.084 120.570 -0.340 0.000 2.322 140 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 140 I C -1.949 174.020 176.117 -0.247 0.000 1.060 140 I CA -2.896 58.235 61.300 -0.281 0.000 1.309 140 I CB 0.793 38.600 38.000 -0.322 0.000 1.415 140 I HN 0.239 nan 8.210 nan 0.000 0.492 141 P HA 0.234 nan 4.420 nan 0.000 0.275 141 P C -2.234 175.054 177.300 -0.021 0.000 1.228 141 P CA -1.523 61.528 63.100 -0.081 0.000 0.786 141 P CB 0.460 32.138 31.700 -0.036 0.000 0.927 142 P HA -0.235 nan 4.420 nan 0.000 0.217 142 P C 1.502 178.846 177.300 0.074 0.000 1.151 142 P CA 2.358 65.476 63.100 0.030 0.000 0.849 142 P CB -0.486 31.237 31.700 0.039 0.000 0.787 143 A N -2.180 120.689 122.820 0.082 0.000 1.972 143 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 143 A C 2.217 179.913 177.584 0.186 0.000 1.169 143 A CA 1.489 53.592 52.037 0.110 0.000 0.635 143 A CB -1.644 17.413 19.000 0.095 0.000 0.810 143 A HN 0.174 nan 8.150 nan 0.000 0.446 144 Y N -0.144 120.187 120.300 0.051 0.000 2.301 144 Y HA 0.006 4.556 4.550 -0.000 0.000 0.295 144 Y C 2.365 178.410 175.900 0.243 0.000 1.119 144 Y CA 0.932 59.097 58.100 0.109 0.000 1.162 144 Y CB -0.243 38.244 38.460 0.046 0.000 1.046 144 Y HN 0.042 nan 8.280 nan 0.000 0.538 145 V N 0.900 120.903 119.914 0.147 0.000 2.317 145 V HA -0.368 3.752 4.120 -0.000 0.000 0.251 145 V C 2.264 178.474 176.094 0.194 0.000 1.065 145 V CA 2.196 64.576 62.300 0.133 0.000 1.049 145 V CB -0.579 31.300 31.823 0.094 0.000 0.651 145 V HN 0.263 nan 8.190 nan 0.000 0.450 146 K N 0.522 120.998 120.400 0.126 0.000 2.360 146 K HA -0.104 4.216 4.320 -0.000 0.000 0.201 146 K C 2.092 178.713 176.600 0.035 0.000 1.046 146 K CA 1.598 57.938 56.287 0.087 0.000 0.945 146 K CB -0.824 31.717 32.500 0.067 0.000 0.750 146 K HN 0.780 nan 8.250 nan 0.000 0.464 147 T N -2.084 112.452 114.554 -0.030 0.000 3.148 147 T HA 0.073 4.423 4.350 -0.000 0.000 0.253 147 T C 0.512 174.973 174.700 -0.398 0.000 1.134 147 T CA -0.119 61.842 62.100 -0.232 0.000 1.051 147 T CB -0.245 68.401 68.868 -0.371 0.000 0.959 147 T HN -0.154 nan 8.240 nan 0.000 0.525 148 F N 0.340 120.204 119.950 -0.144 0.000 2.422 148 F HA 0.534 5.061 4.527 -0.000 0.000 0.333 148 F C 1.346 177.105 175.800 -0.068 0.000 1.095 148 F CA -1.293 56.637 58.000 -0.117 0.000 1.038 148 F CB 1.622 40.544 39.000 -0.130 0.000 1.156 148 F HN -0.267 nan 8.300 nan 0.000 0.483 149 V N 2.163 122.133 119.914 0.093 0.000 2.343 149 V HA 0.008 4.128 4.120 -0.000 0.000 0.247 149 V C 1.361 177.481 176.094 0.044 0.000 1.051 149 V CA 1.560 63.883 62.300 0.039 0.000 1.036 149 V CB -1.311 30.515 31.823 0.005 0.000 0.654 149 V HN 1.154 nan 8.190 nan 0.000 0.451 153 H N -0.699 118.347 119.070 -0.040 0.000 1.955 153 H HA 0.492 5.048 4.556 -0.000 0.000 0.196 153 H C 1.033 176.350 175.328 -0.019 0.000 0.891 153 H CA 1.184 57.218 56.048 -0.023 0.000 1.001 153 H CB 0.491 30.243 29.762 -0.017 0.000 1.195 153 H HN 0.293 nan 8.280 nan 0.000 0.384 154 G N 1.087 109.943 108.800 0.093 0.000 2.707 154 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 154 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 154 G C 0.768 175.710 174.900 0.069 0.000 1.315 154 G CA -0.054 45.069 45.100 0.039 0.000 0.832 154 G HN 0.198 nan 8.290 nan 0.000 0.573 155 I N 0.285 120.882 120.570 0.046 0.000 2.127 155 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 155 I C 3.008 179.170 176.117 0.075 0.000 1.075 155 I CA 2.479 63.813 61.300 0.058 0.000 1.334 155 I CB -0.377 37.646 38.000 0.039 0.000 1.040 155 I HN 0.678 nan 8.210 nan 0.000 0.405 156 Q N 0.153 119.998 119.800 0.075 0.000 2.030 156 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 156 Q C 2.325 178.387 176.000 0.104 0.000 0.986 156 Q CA 1.840 57.701 55.803 0.097 0.000 0.843 156 Q CB -0.487 28.301 28.738 0.084 0.000 0.904 156 Q HN 0.344 nan 8.270 nan 0.000 0.420 157 V N 0.792 120.763 119.914 0.095 0.000 2.343 157 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 157 V C 2.215 178.345 176.094 0.060 0.000 1.051 157 V CA 2.099 64.456 62.300 0.094 0.000 1.036 157 V CB -0.627 31.277 31.823 0.134 0.000 0.654 157 V HN 0.464 nan 8.190 nan 0.000 0.451 158 E N 0.404 120.643 120.200 0.065 0.000 2.038 158 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 158 E C 2.459 179.072 176.600 0.022 0.000 1.000 158 E CA 1.602 58.027 56.400 0.042 0.000 0.803 158 E CB -0.140 29.621 29.700 0.102 0.000 0.750 158 E HN 0.500 nan 8.360 nan 0.000 0.448 159 R N 0.282 120.791 120.500 0.014 0.000 2.105 159 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 159 R C 2.022 178.203 176.300 -0.197 0.000 1.135 159 R CA 1.583 57.611 56.100 -0.119 0.000 0.967 159 R CB -0.195 30.070 30.300 -0.058 0.000 0.861 159 R HN 0.318 nan 8.270 nan 0.000 0.442 160 D N 0.403 120.819 120.400 0.026 0.000 2.117 160 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 160 D C 1.707 178.030 176.300 0.038 0.000 0.982 160 D CA 1.204 55.275 54.000 0.118 0.000 0.828 160 D CB -0.022 40.870 40.800 0.154 0.000 0.967 160 D HN 0.187 nan 8.370 nan 0.000 0.464 161 K N 0.143 120.544 120.400 0.002 0.000 2.097 161 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 161 K C 2.100 178.688 176.600 -0.021 0.000 1.050 161 K CA 0.557 56.835 56.287 -0.015 0.000 0.938 161 K CB 0.019 32.483 32.500 -0.059 0.000 0.718 161 K HN 0.161 nan 8.250 nan 0.000 0.442 162 L N 0.325 121.519 121.223 -0.048 0.000 2.446 162 L HA 0.008 4.348 4.340 -0.000 0.000 0.219 162 L C 0.560 177.354 176.870 -0.126 0.000 1.116 162 L CA 0.032 54.836 54.840 -0.061 0.000 0.844 162 L CB -0.434 41.602 42.059 -0.037 0.000 0.970 162 L HN 0.381 nan 8.230 nan 0.000 0.457 163 N N 1.496 120.081 118.700 -0.191 0.000 2.738 163 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 163 N C -0.533 174.736 175.510 -0.401 0.000 1.047 163 N CA 0.430 53.348 53.050 -0.219 0.000 0.707 163 N CB -0.369 38.111 38.487 -0.012 0.000 0.937 163 N HN 0.372 nan 8.380 nan 0.000 0.545 164 K N 1.594 121.562 120.400 -0.720 0.000 2.502 164 K HA 0.382 4.702 4.320 -0.000 0.000 0.254 164 K C -1.454 174.757 176.600 -0.648 0.000 0.947 164 K CA -0.352 55.640 56.287 -0.492 0.000 0.834 164 K CB 1.063 33.406 32.500 -0.261 0.000 1.112 164 K HN 0.116 nan 8.250 nan 0.000 0.427 165 Y N -0.611 119.696 120.300 0.013 0.000 2.562 165 Y HA 0.438 4.988 4.550 -0.000 0.000 0.345 165 Y C 1.001 176.909 175.900 0.013 0.000 1.045 165 Y CA -0.788 57.322 58.100 0.016 0.000 1.028 165 Y CB 2.534 41.003 38.460 0.016 0.000 1.297 165 Y HN 0.752 nan 8.280 nan 0.000 0.463 166 G N 1.449 110.358 108.800 0.182 0.000 2.157 166 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.239 166 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.239 166 G C -0.252 174.690 174.900 0.069 0.000 0.982 166 G CA 0.155 45.320 45.100 0.108 0.000 0.650 166 G HN 0.920 nan 8.290 nan 0.000 0.527 167 R N -1.406 119.131 120.500 0.061 0.000 2.712 167 R HA 0.620 4.960 4.340 -0.000 0.000 0.272 167 R C 0.363 176.686 176.300 0.038 0.000 1.032 167 R CA -0.509 55.618 56.100 0.044 0.000 0.874 167 R CB 0.131 30.449 30.300 0.029 0.000 1.256 167 R HN 1.003 nan 8.270 nan 0.000 0.468 168 G N 1.375 110.200 108.800 0.040 0.000 2.614 168 G HA2 0.347 4.307 3.960 -0.000 0.000 0.239 168 G HA3 0.347 4.307 3.960 -0.000 0.000 0.239 168 G C -0.150 174.763 174.900 0.022 0.000 1.240 168 G CA -0.821 44.298 45.100 0.031 0.000 0.842 168 G HN 0.377 nan 8.290 nan 0.000 0.584 169 L N 0.047 121.283 121.223 0.021 0.000 2.399 169 L HA 0.452 4.792 4.340 -0.000 0.000 0.266 169 L C 0.147 177.058 176.870 0.069 0.000 1.114 169 L CA -0.534 54.331 54.840 0.041 0.000 0.804 169 L CB 1.140 43.283 42.059 0.140 0.000 1.146 169 L HN 0.218 nan 8.230 nan 0.000 0.451 170 L N 1.248 122.509 121.223 0.062 0.000 2.356 170 L HA 0.686 5.026 4.340 -0.000 0.000 0.277 170 L C 0.206 177.154 176.870 0.130 0.000 0.996 170 L CA -0.276 54.630 54.840 0.111 0.000 0.822 170 L CB 1.833 43.939 42.059 0.078 0.000 1.256 170 L HN 0.718 nan 8.230 nan 0.000 0.413 171 G N 0.830 109.720 108.800 0.150 0.000 3.140 171 G HA2 0.648 4.608 3.960 -0.000 0.000 0.271 171 G HA3 0.648 4.608 3.960 -0.000 0.000 0.271 171 G C -1.820 173.111 174.900 0.053 0.000 1.370 171 G CA -0.528 44.628 45.100 0.093 0.000 1.014 171 G HN 0.669 nan 8.290 nan 0.000 0.541 172 C N -0.080 119.195 119.300 -0.042 0.000 3.135 172 C HA 0.610 5.070 4.460 -0.000 0.000 0.428 172 C C -0.337 174.609 174.990 -0.073 0.000 0.972 172 C CA -0.501 58.510 59.018 -0.013 0.000 1.218 172 C CB 0.349 28.102 27.740 0.021 0.000 1.595 172 C HN 0.839 nan 8.230 nan 0.000 0.576 173 T N 7.177 121.713 114.554 -0.030 0.000 2.780 173 T HA 0.392 4.742 4.350 -0.000 0.000 0.294 173 T C 0.537 175.231 174.700 -0.010 0.000 0.949 173 T CA -0.257 61.834 62.100 -0.015 0.000 1.074 173 T CB 0.358 69.249 68.868 0.038 0.000 0.910 173 T HN 0.577 nan 8.240 nan 0.000 0.501 174 I N 4.094 124.644 120.570 -0.034 0.000 2.648 174 I HA 0.193 4.363 4.170 -0.000 0.000 0.284 174 I C 0.695 176.786 176.117 -0.043 0.000 1.153 174 I CA 0.141 61.363 61.300 -0.130 0.000 1.426 174 I CB -0.070 37.633 38.000 -0.494 0.000 1.381 174 I HN 0.455 nan 8.210 nan 0.000 0.571 175 K N 6.695 127.072 120.400 -0.039 0.000 2.435 175 K HA 0.560 4.880 4.320 -0.000 0.000 0.251 175 K C -2.436 174.165 176.600 0.002 0.000 0.954 175 K CA -1.621 54.673 56.287 0.013 0.000 0.820 175 K CB 1.685 34.206 32.500 0.035 0.000 1.292 175 K HN 0.304 nan 8.250 nan 0.000 0.436 176 P HA 0.125 nan 4.420 nan 0.000 0.269 176 P C 0.259 177.585 177.300 0.043 0.000 1.215 176 P CA -0.129 62.982 63.100 0.019 0.000 0.780 176 P CB 0.905 32.600 31.700 -0.009 0.000 0.898 177 K N 0.464 120.889 120.400 0.043 0.000 2.015 177 K HA -0.102 4.218 4.320 -0.000 0.000 0.216 177 K C 0.821 177.476 176.600 0.091 0.000 1.052 177 K CA 1.321 57.652 56.287 0.075 0.000 0.937 177 K CB -0.321 32.207 32.500 0.047 0.000 0.719 177 K HN 0.408 nan 8.250 nan 0.000 0.446 178 L N -1.949 119.256 121.223 -0.029 0.000 2.323 178 L HA 0.417 4.757 4.340 -0.000 0.000 0.265 178 L C 0.802 177.345 176.870 -0.545 0.000 1.012 178 L CA -0.285 54.410 54.840 -0.241 0.000 0.820 178 L CB 2.171 44.117 42.059 -0.189 0.000 1.334 178 L HN 0.509 nan 8.230 nan 0.000 0.427 179 G N 1.181 109.200 108.800 -1.303 0.000 2.231 179 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.206 179 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.206 179 G C -0.169 174.550 174.900 -0.302 0.000 0.996 179 G CA -0.602 43.978 45.100 -0.867 0.000 0.645 179 G HN 0.318 nan 8.290 nan 0.000 0.498 180 L N 2.658 123.848 121.223 -0.054 0.000 2.349 180 L HA 0.530 4.870 4.340 -0.000 0.000 0.275 180 L C 1.515 178.574 176.870 0.315 0.000 1.115 180 L CA -0.034 54.911 54.840 0.174 0.000 0.820 180 L CB 1.391 43.623 42.059 0.288 0.000 1.135 180 L HN 0.460 nan 8.230 nan 0.000 0.445 181 S N 2.019 117.850 115.700 0.219 0.000 2.584 181 S HA 0.224 4.694 4.470 -0.000 0.000 0.270 181 S C 1.171 175.882 174.600 0.186 0.000 1.346 181 S CA -0.143 58.172 58.200 0.192 0.000 1.018 181 S CB 1.482 64.740 63.200 0.096 0.000 0.899 181 S HN 0.714 nan 8.310 nan 0.000 0.542 182 A N 1.894 124.808 122.820 0.158 0.000 1.892 182 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 182 A C 2.129 179.747 177.584 0.056 0.000 1.188 182 A CA 2.221 54.382 52.037 0.206 0.000 0.631 182 A CB -1.149 18.054 19.000 0.339 0.000 0.822 182 A HN 0.963 nan 8.150 nan 0.000 0.447 183 K N 0.071 120.283 120.400 -0.314 0.000 2.057 183 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 183 K C 1.674 178.096 176.600 -0.296 0.000 1.049 183 K CA 1.911 57.725 56.287 -0.789 0.000 0.931 183 K CB -0.275 31.779 32.500 -0.742 0.000 0.714 183 K HN 0.438 nan 8.250 nan 0.000 0.440 184 N N -0.549 118.094 118.700 -0.095 0.000 2.309 184 N HA -0.135 4.605 4.740 -0.000 0.000 0.182 184 N C 1.483 177.022 175.510 0.050 0.000 1.018 184 N CA 0.904 53.947 53.050 -0.011 0.000 0.876 184 N CB -0.282 38.220 38.487 0.025 0.000 0.972 184 N HN 0.249 nan 8.380 nan 0.000 0.434 185 Y N 1.320 121.619 120.300 -0.002 0.000 2.114 185 Y HA -0.117 4.433 4.550 -0.000 0.000 0.284 185 Y C 2.475 178.382 175.900 0.011 0.000 1.143 185 Y CA 1.887 60.010 58.100 0.037 0.000 1.135 185 Y CB -0.685 37.825 38.460 0.083 0.000 0.980 185 Y HN 0.066 nan 8.280 nan 0.000 0.499 186 G N -0.599 108.298 108.800 0.161 0.000 2.422 186 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 186 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 186 G C 1.755 176.700 174.900 0.074 0.000 1.146 186 G CA 0.902 46.066 45.100 0.107 0.000 0.769 186 G HN 0.344 nan 8.290 nan 0.000 0.547 187 R N 0.545 121.063 120.500 0.029 0.000 2.070 187 R HA -0.001 4.339 4.340 -0.000 0.000 0.233 187 R C 2.840 179.180 176.300 0.068 0.000 1.137 187 R CA 1.656 57.793 56.100 0.061 0.000 0.945 187 R CB -0.450 29.854 30.300 0.008 0.000 0.845 187 R HN 0.264 nan 8.270 nan 0.000 0.430 188 A N 0.316 123.131 122.820 -0.007 0.000 1.902 188 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 188 A C 2.300 179.859 177.584 -0.042 0.000 1.181 188 A CA 1.568 53.577 52.037 -0.048 0.000 0.623 188 A CB -0.580 18.346 19.000 -0.125 0.000 0.818 188 A HN 0.242 nan 8.150 nan 0.000 0.443 189 V N -1.014 118.881 119.914 -0.032 0.000 2.255 189 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 189 V C 2.395 178.522 176.094 0.056 0.000 1.051 189 V CA 2.320 64.630 62.300 0.015 0.000 1.018 189 V CB -1.139 30.683 31.823 -0.001 0.000 0.641 189 V HN 0.744 nan 8.190 nan 0.000 0.445 190 Y N 1.490 121.781 120.300 -0.014 0.000 2.114 190 Y HA -0.254 4.296 4.550 -0.000 0.000 0.282 190 Y C 2.570 178.467 175.900 -0.005 0.000 1.165 190 Y CA 2.102 60.200 58.100 -0.003 0.000 1.148 190 Y CB -0.410 38.053 38.460 0.006 0.000 0.972 190 Y HN 0.298 nan 8.280 nan 0.000 0.504 191 E N -0.508 119.501 120.200 -0.320 0.000 2.110 191 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 191 E C 2.482 178.928 176.600 -0.258 0.000 0.988 191 E CA 1.362 57.523 56.400 -0.398 0.000 0.804 191 E CB -0.859 28.741 29.700 -0.166 0.000 0.745 191 E HN 0.560 nan 8.360 nan 0.000 0.458 192 C N 0.759 119.971 119.300 -0.146 0.000 2.462 192 C HA -0.061 4.399 4.460 -0.000 0.000 0.278 192 C C 2.886 177.813 174.990 -0.106 0.000 1.253 192 C CA 0.311 59.271 59.018 -0.097 0.000 1.713 192 C CB -1.144 26.568 27.740 -0.048 0.000 2.049 192 C HN 0.358 nan 8.230 nan 0.000 0.477 193 L N 1.264 122.430 121.223 -0.094 0.000 2.046 193 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 193 L C 2.907 179.715 176.870 -0.103 0.000 1.077 193 L CA 1.902 56.698 54.840 -0.073 0.000 0.747 193 L CB -0.743 41.307 42.059 -0.014 0.000 0.896 193 L HN 0.486 nan 8.230 nan 0.000 0.432 194 R N 0.363 120.751 120.500 -0.186 0.000 2.237 194 R HA -0.060 4.280 4.340 -0.000 0.000 0.219 194 R C 1.873 178.089 176.300 -0.140 0.000 1.080 194 R CA 1.224 57.216 56.100 -0.180 0.000 0.995 194 R CB -0.632 29.443 30.300 -0.375 0.000 0.875 194 R HN 0.265 nan 8.270 nan 0.000 0.462 195 G N -0.481 108.232 108.800 -0.144 0.000 2.777 195 G HA2 0.237 4.197 3.960 -0.000 0.000 0.211 195 G HA3 0.237 4.197 3.960 -0.000 0.000 0.211 195 G C 0.902 175.751 174.900 -0.085 0.000 1.149 195 G CA 0.295 45.328 45.100 -0.112 0.000 0.785 195 G HN 0.570 nan 8.290 nan 0.000 0.536 196 G N -0.796 107.956 108.800 -0.080 0.000 2.370 196 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.174 196 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.174 196 G C 0.202 175.058 174.900 -0.074 0.000 1.002 196 G CA -0.405 44.654 45.100 -0.067 0.000 0.730 196 G HN 0.309 nan 8.290 nan 0.000 0.497 197 L N 1.282 122.459 121.223 -0.076 0.000 2.371 197 L HA 0.379 4.719 4.340 -0.000 0.000 0.272 197 L C 1.058 177.847 176.870 -0.136 0.000 1.124 197 L CA -0.741 54.054 54.840 -0.075 0.000 0.816 197 L CB 0.651 42.687 42.059 -0.040 0.000 1.129 197 L HN -0.018 nan 8.230 nan 0.000 0.448 198 D N 1.433 121.701 120.400 -0.221 0.000 2.162 198 D HA 0.028 4.668 4.640 -0.000 0.000 0.203 198 D C -0.078 175.843 176.300 -0.632 0.000 0.967 198 D CA 1.580 55.282 54.000 -0.498 0.000 0.840 198 D CB 0.278 40.645 40.800 -0.721 0.000 0.972 198 D HN 0.145 nan 8.370 nan 0.000 0.482 199 F N -0.158 119.758 119.950 -0.057 0.000 2.588 199 F HA 0.325 4.852 4.527 -0.000 0.000 0.314 199 F C 0.643 176.291 175.800 -0.253 0.000 1.069 199 F CA -1.016 56.886 58.000 -0.163 0.000 0.931 199 F CB 1.804 40.673 39.000 -0.218 0.000 1.260 199 F HN -0.332 nan 8.300 nan 0.000 0.465 203 D N 1.200 121.726 120.400 0.210 0.000 2.400 203 D HA -0.030 4.610 4.640 -0.000 0.000 0.238 203 D C 1.571 177.859 176.300 -0.020 0.000 1.157 203 D CA 0.081 54.133 54.000 0.087 0.000 0.889 203 D CB 1.034 41.900 40.800 0.110 0.000 1.199 203 D HN 0.417 nan 8.370 nan 0.000 0.436 204 E N 2.492 122.554 120.200 -0.230 0.000 2.187 204 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 204 E C 0.724 177.221 176.600 -0.171 0.000 1.004 204 E CA 1.372 57.526 56.400 -0.410 0.000 0.813 204 E CB -0.408 28.690 29.700 -1.004 0.000 0.736 204 E HN 0.515 nan 8.360 nan 0.000 0.468 205 N N 0.899 119.552 118.700 -0.078 0.000 2.280 205 N HA 0.006 4.746 4.740 -0.000 0.000 0.192 205 N C 0.032 175.579 175.510 0.061 0.000 1.109 205 N CA -0.064 52.980 53.050 -0.010 0.000 0.855 205 N CB 0.125 38.615 38.487 0.007 0.000 0.974 205 N HN -0.039 nan 8.380 nan 0.000 0.482 206 V N 1.958 121.922 119.914 0.084 0.000 2.387 206 V HA 0.165 4.285 4.120 -0.000 0.000 0.260 206 V C 0.301 176.441 176.094 0.078 0.000 1.054 206 V CA -0.128 62.243 62.300 0.119 0.000 0.967 206 V CB -0.528 31.379 31.823 0.140 0.000 1.036 206 V HN 0.315 nan 8.190 nan 0.000 0.481 207 N N 2.578 121.308 118.700 0.050 0.000 2.833 207 N HA 0.256 4.996 4.740 -0.000 0.000 0.168 207 N C -0.182 175.355 175.510 0.045 0.000 1.383 207 N CA -0.366 52.707 53.050 0.038 0.000 1.103 207 N CB 0.573 39.059 38.487 -0.002 0.000 1.235 207 N HN 0.501 nan 8.380 nan 0.000 0.437 208 S N 0.135 115.835 115.700 -0.000 0.000 2.619 208 S HA 0.476 4.946 4.470 -0.000 0.000 0.280 208 S C -1.788 172.731 174.600 -0.135 0.000 1.150 208 S CA -0.405 57.793 58.200 -0.004 0.000 0.978 208 S CB 1.291 64.605 63.200 0.190 0.000 1.041 208 S HN 0.264 nan 8.310 nan 0.000 0.485 209 Q N 3.257 122.858 119.800 -0.331 0.000 2.501 209 Q HA 0.460 4.800 4.340 -0.000 0.000 0.288 209 Q C -2.116 173.602 176.000 -0.471 0.000 1.051 209 Q CA -1.760 53.764 55.803 -0.465 0.000 0.788 209 Q CB 1.834 30.081 28.738 -0.817 0.000 1.469 209 Q HN 0.270 nan 8.270 nan 0.000 0.416 210 P HA -0.201 nan 4.420 nan 0.000 0.217 210 P C 0.590 177.832 177.300 -0.096 0.000 1.151 210 P CA 1.465 64.494 63.100 -0.119 0.000 0.849 210 P CB 0.029 31.731 31.700 0.003 0.000 0.787 211 F N -2.640 117.323 119.950 0.021 0.000 2.456 211 F HA 0.267 4.794 4.527 -0.000 0.000 0.298 211 F C 1.000 176.816 175.800 0.027 0.000 1.104 211 F CA 0.142 58.157 58.000 0.026 0.000 1.435 211 F CB -0.562 38.458 39.000 0.034 0.000 1.078 211 F HN -0.179 nan 8.300 nan 0.000 0.546 212 M N 1.267 120.636 119.600 -0.384 0.000 2.310 212 M HA 0.345 4.825 4.480 -0.000 0.000 0.242 212 M C -1.475 174.666 176.300 -0.264 0.000 1.000 212 M CA -0.552 54.639 55.300 -0.181 0.000 0.970 212 M CB 1.114 33.713 32.600 -0.001 0.000 2.191 212 M HN -0.202 nan 8.290 nan 0.000 0.470 213 R N 3.864 124.266 120.500 -0.162 0.000 2.459 213 R HA 0.265 4.605 4.340 -0.000 0.000 0.281 213 R C 1.061 177.263 176.300 -0.164 0.000 1.050 213 R CA -0.225 55.771 56.100 -0.173 0.000 1.055 213 R CB 0.584 30.756 30.300 -0.212 0.000 1.045 213 R HN 0.958 nan 8.270 nan 0.000 0.495 214 W N 4.080 125.270 121.300 -0.184 0.000 2.338 214 W HA -0.166 4.494 4.660 -0.000 0.000 0.304 214 W C 1.113 177.448 176.519 -0.307 0.000 1.212 214 W CA 0.782 57.991 57.345 -0.227 0.000 1.264 214 W CB -0.463 28.788 29.460 -0.349 0.000 1.142 214 W HN 0.552 nan 8.180 nan 0.000 0.512 215 R N 0.956 120.683 120.500 -1.288 0.000 2.090 215 R HA -0.124 4.216 4.340 -0.000 0.000 0.228 215 R C 1.865 177.897 176.300 -0.446 0.000 1.110 215 R CA 1.847 57.221 56.100 -1.210 0.000 0.973 215 R CB -0.356 28.993 30.300 -1.584 0.000 0.869 215 R HN -0.035 nan 8.270 nan 0.000 0.440 216 D N 0.126 120.322 120.400 -0.339 0.000 2.104 216 D HA -0.221 4.419 4.640 -0.000 0.000 0.194 216 D C 1.852 178.185 176.300 0.057 0.000 0.994 216 D CA 1.192 55.108 54.000 -0.141 0.000 0.830 216 D CB -0.229 40.552 40.800 -0.033 0.000 0.959 216 D HN 0.233 nan 8.370 nan 0.000 0.452 217 R N -0.311 120.268 120.500 0.133 0.000 2.083 217 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 217 R C 2.303 178.794 176.300 0.319 0.000 1.137 217 R CA 1.134 57.381 56.100 0.245 0.000 0.951 217 R CB -0.382 30.021 30.300 0.171 0.000 0.851 217 R HN 0.045 nan 8.270 nan 0.000 0.434 218 F N 1.052 121.030 119.950 0.046 0.000 2.126 218 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 218 F C 2.234 178.039 175.800 0.009 0.000 1.096 218 F CA 1.074 59.118 58.000 0.072 0.000 1.255 218 F CB -0.686 38.408 39.000 0.156 0.000 0.997 218 F HN 0.062 nan 8.300 nan 0.000 0.479 219 L N -1.835 119.455 121.223 0.111 0.000 2.027 219 L HA -0.235 4.105 4.340 -0.000 0.000 0.206 219 L C 2.481 179.310 176.870 -0.068 0.000 1.074 219 L CA 1.255 56.060 54.840 -0.058 0.000 0.745 219 L CB -0.595 41.312 42.059 -0.255 0.000 0.898 219 L HN 0.040 nan 8.230 nan 0.000 0.433 220 F N -0.855 119.127 119.950 0.052 0.000 2.186 220 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 220 F C 2.391 178.199 175.800 0.013 0.000 1.090 220 F CA 0.924 58.946 58.000 0.037 0.000 1.307 220 F CB -0.950 38.080 39.000 0.049 0.000 1.019 220 F HN -0.207 nan 8.300 nan 0.000 0.489 221 V N -0.182 119.830 119.914 0.162 0.000 2.407 221 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 221 V C 2.572 178.635 176.094 -0.052 0.000 1.055 221 V CA 1.635 63.926 62.300 -0.014 0.000 1.049 221 V CB -1.291 30.412 31.823 -0.200 0.000 0.662 221 V HN 0.345 nan 8.190 nan 0.000 0.455 222 A N -0.474 122.327 122.820 -0.032 0.000 1.902 222 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 222 A C 2.300 179.852 177.584 -0.053 0.000 1.181 222 A CA 2.051 54.023 52.037 -0.109 0.000 0.623 222 A CB -0.512 18.510 19.000 0.036 0.000 0.818 222 A HN 0.616 nan 8.150 nan 0.000 0.443 223 E N -0.181 120.067 120.200 0.081 0.000 2.077 223 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 223 E C 2.159 178.806 176.600 0.078 0.000 0.989 223 E CA 1.011 57.487 56.400 0.127 0.000 0.800 223 E CB -0.243 29.539 29.700 0.136 0.000 0.746 223 E HN 0.541 nan 8.360 nan 0.000 0.452 224 A N 1.044 123.902 122.820 0.064 0.000 1.902 224 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 224 A C 2.147 179.786 177.584 0.091 0.000 1.181 224 A CA 1.249 53.342 52.037 0.093 0.000 0.623 224 A CB -0.581 18.489 19.000 0.118 0.000 0.818 224 A HN 0.310 nan 8.150 nan 0.000 0.443 225 I N -1.790 118.758 120.570 -0.037 0.000 2.142 225 I HA -0.282 3.888 4.170 -0.000 0.000 0.240 225 I C 2.362 178.454 176.117 -0.040 0.000 1.078 225 I CA 1.474 62.712 61.300 -0.103 0.000 1.343 225 I CB -0.433 37.382 38.000 -0.309 0.000 1.046 225 I HN 0.381 nan 8.210 nan 0.000 0.405 226 Y N 0.790 121.131 120.300 0.069 0.000 2.293 226 Y HA -0.208 4.342 4.550 -0.000 0.000 0.291 226 Y C 2.516 178.445 175.900 0.048 0.000 1.137 226 Y CA 1.035 59.166 58.100 0.051 0.000 1.202 226 Y CB -0.748 37.734 38.460 0.036 0.000 0.990 226 Y HN 0.111 nan 8.280 nan 0.000 0.537 227 K N 0.210 120.716 120.400 0.176 0.000 2.001 227 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 227 K C 2.358 179.082 176.600 0.207 0.000 1.048 227 K CA 1.242 57.588 56.287 0.098 0.000 0.932 227 K CB -0.305 32.118 32.500 -0.128 0.000 0.715 227 K HN 0.197 nan 8.250 nan 0.000 0.437 228 A N 1.091 124.089 122.820 0.297 0.000 1.908 228 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 228 A C 2.105 179.772 177.584 0.138 0.000 1.181 228 A CA 1.850 54.038 52.037 0.251 0.000 0.627 228 A CB -0.685 18.417 19.000 0.170 0.000 0.818 228 A HN 0.592 nan 8.150 nan 0.000 0.445 229 Q N -0.649 119.227 119.800 0.128 0.000 2.050 229 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 229 Q C 2.189 178.247 176.000 0.097 0.000 0.980 229 Q CA 1.619 57.484 55.803 0.104 0.000 0.840 229 Q CB -0.357 28.466 28.738 0.142 0.000 0.898 229 Q HN 0.603 nan 8.270 nan 0.000 0.424 230 A N 0.679 123.567 122.820 0.113 0.000 1.933 230 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 230 A C 1.888 179.517 177.584 0.075 0.000 1.175 230 A CA 1.680 53.767 52.037 0.083 0.000 0.628 230 A CB -0.661 18.386 19.000 0.077 0.000 0.814 230 A HN 0.623 nan 8.150 nan 0.000 0.444 231 E N -0.516 119.743 120.200 0.098 0.000 2.072 231 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 231 E C 2.023 178.660 176.600 0.061 0.000 0.985 231 E CA 1.809 58.265 56.400 0.093 0.000 0.801 231 E CB -0.057 29.734 29.700 0.152 0.000 0.750 231 E HN 0.740 nan 8.360 nan 0.000 0.452 232 T N -3.951 110.635 114.554 0.053 0.000 3.044 232 T HA 0.230 4.580 4.350 -0.000 0.000 0.255 232 T C 1.556 176.270 174.700 0.024 0.000 1.073 232 T CA 0.598 62.714 62.100 0.027 0.000 1.125 232 T CB 0.451 69.325 68.868 0.010 0.000 0.908 232 T HN 0.321 nan 8.240 nan 0.000 0.480 233 G N 1.286 110.105 108.800 0.031 0.000 2.148 233 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.254 233 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.254 233 G C -0.275 174.635 174.900 0.017 0.000 0.981 233 G CA 0.245 45.361 45.100 0.027 0.000 0.670 233 G HN 0.674 nan 8.290 nan 0.000 0.528 234 E N -0.487 119.717 120.200 0.008 0.000 2.195 234 E HA 0.513 4.863 4.350 -0.000 0.000 0.271 234 E C 0.313 176.903 176.600 -0.016 0.000 0.923 234 E CA -1.066 55.325 56.400 -0.015 0.000 0.790 234 E CB 2.473 32.150 29.700 -0.038 0.000 1.155 234 E HN 0.068 nan 8.360 nan 0.000 0.402 235 V N 3.994 123.892 119.914 -0.028 0.000 2.617 235 V HA -0.031 4.089 4.120 -0.000 0.000 0.304 235 V C 0.257 176.309 176.094 -0.070 0.000 1.040 235 V CA 0.521 62.809 62.300 -0.020 0.000 1.149 235 V CB -0.040 31.770 31.823 -0.021 0.000 0.914 235 V HN 0.516 nan 8.190 nan 0.000 0.487 236 K N 3.162 123.545 120.400 -0.030 0.000 2.340 236 K HA 0.834 5.154 4.320 -0.000 0.000 0.244 236 K C 0.028 176.644 176.600 0.026 0.000 0.973 236 K CA -0.414 55.839 56.287 -0.057 0.000 0.828 236 K CB 2.380 34.869 32.500 -0.019 0.000 1.226 236 K HN 0.838 nan 8.250 nan 0.000 0.437 237 G N 0.145 109.011 108.800 0.110 0.000 2.690 237 G HA2 0.404 4.364 3.960 -0.000 0.000 0.291 237 G HA3 0.404 4.364 3.960 -0.000 0.000 0.291 237 G C -1.896 173.192 174.900 0.314 0.000 1.403 237 G CA -0.275 45.000 45.100 0.291 0.000 0.864 237 G HN 0.549 nan 8.290 nan 0.000 0.480 238 H N 0.421 119.558 119.070 0.112 0.000 2.934 238 H HA 0.314 4.870 4.556 -0.000 0.000 0.340 238 H C -1.119 174.228 175.328 0.031 0.000 1.008 238 H CA -0.587 55.457 56.048 -0.007 0.000 1.317 238 H CB 1.302 31.051 29.762 -0.021 0.000 1.670 238 H HN 0.370 nan 8.280 nan 0.000 0.516 239 Y N 5.595 125.675 120.300 -0.367 0.000 2.730 239 Y HA 0.099 4.649 4.550 -0.000 0.000 0.354 239 Y C 0.681 176.496 175.900 -0.142 0.000 1.139 239 Y CA -0.518 57.427 58.100 -0.260 0.000 1.516 239 Y CB -0.660 37.601 38.460 -0.331 0.000 1.204 239 Y HN 0.331 nan 8.280 nan 0.000 0.520 240 L N 3.773 125.036 121.223 0.067 0.000 2.319 240 L HA 0.175 4.515 4.340 -0.000 0.000 0.280 240 L C 0.675 177.562 176.870 0.027 0.000 1.099 240 L CA -0.004 54.776 54.840 -0.100 0.000 0.828 240 L CB 0.417 42.024 42.059 -0.754 0.000 1.150 240 L HN 0.611 nan 8.230 nan 0.000 0.442 241 N N 1.874 120.670 118.700 0.160 0.000 2.420 241 N HA 0.193 4.933 4.740 -0.000 0.000 0.262 241 N C 0.580 176.232 175.510 0.236 0.000 1.144 241 N CA -0.103 53.061 53.050 0.191 0.000 0.952 241 N CB 1.083 39.666 38.487 0.160 0.000 1.081 241 N HN 0.780 nan 8.380 nan 0.000 0.480 242 A N 2.675 125.591 122.820 0.161 0.000 2.238 242 A HA 0.066 4.386 4.320 -0.000 0.000 0.210 242 A C 0.706 178.309 177.584 0.032 0.000 1.179 242 A CA 0.020 52.093 52.037 0.059 0.000 0.827 242 A CB 0.022 19.026 19.000 0.006 0.000 0.856 242 A HN 0.595 nan 8.150 nan 0.000 0.488 243 T N 1.821 116.455 114.554 0.134 0.000 2.905 243 T HA 0.410 4.760 4.350 -0.000 0.000 0.299 243 T C 0.216 174.914 174.700 -0.004 0.000 1.024 243 T CA 0.949 63.123 62.100 0.123 0.000 1.151 243 T CB 0.467 69.345 68.868 0.017 0.000 0.987 243 T HN 0.758 nan 8.240 nan 0.000 0.535 244 A N 2.526 125.336 122.820 -0.016 0.000 2.588 244 A HA 0.811 5.131 4.320 -0.000 0.000 0.290 244 A C 1.333 178.885 177.584 -0.052 0.000 1.136 244 A CA -0.301 51.690 52.037 -0.077 0.000 0.681 244 A CB 0.584 19.490 19.000 -0.158 0.000 1.282 244 A HN 0.752 nan 8.150 nan 0.000 0.421 245 G N -0.676 108.087 108.800 -0.061 0.000 2.422 245 G HA2 0.313 4.273 3.960 -0.000 0.000 0.218 245 G HA3 0.313 4.273 3.960 -0.000 0.000 0.218 245 G C 0.713 175.588 174.900 -0.042 0.000 1.140 245 G CA 1.929 47.002 45.100 -0.045 0.000 0.775 245 G HN 1.711 nan 8.290 nan 0.000 0.545 246 T N -4.429 110.091 114.554 -0.057 0.000 2.896 246 T HA 0.303 4.653 4.350 -0.000 0.000 0.297 246 T C 0.872 175.528 174.700 -0.073 0.000 1.108 246 T CA -0.201 61.867 62.100 -0.054 0.000 1.004 246 T CB 1.362 70.200 68.868 -0.050 0.000 1.159 246 T HN -0.064 nan 8.240 nan 0.000 0.499 247 C N 0.791 120.051 119.300 -0.066 0.000 2.413 247 C HA -0.026 4.434 4.460 -0.000 0.000 0.277 247 C C 2.595 177.518 174.990 -0.113 0.000 1.265 247 C CA 0.959 59.925 59.018 -0.087 0.000 1.752 247 C CB -1.357 26.344 27.740 -0.066 0.000 1.998 247 C HN 1.012 nan 8.230 nan 0.000 0.489 248 E N 0.897 121.041 120.200 -0.093 0.000 2.077 248 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 248 E C 2.226 178.744 176.600 -0.135 0.000 0.989 248 E CA 0.965 57.307 56.400 -0.097 0.000 0.800 248 E CB -0.297 29.364 29.700 -0.064 0.000 0.746 248 E HN 0.532 nan 8.360 nan 0.000 0.452 249 E N 0.164 120.277 120.200 -0.145 0.000 2.072 249 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 249 E C 2.021 178.426 176.600 -0.324 0.000 0.985 249 E CA 0.729 56.998 56.400 -0.218 0.000 0.801 249 E CB -0.275 29.312 29.700 -0.189 0.000 0.750 249 E HN 0.320 nan 8.360 nan 0.000 0.452 250 M N -0.171 119.278 119.600 -0.252 0.000 2.080 250 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 250 M C 1.926 178.038 176.300 -0.314 0.000 1.068 250 M CA 1.423 56.565 55.300 -0.262 0.000 1.109 250 M CB 0.003 32.485 32.600 -0.197 0.000 1.342 250 M HN 0.032 nan 8.290 nan 0.000 0.405 251 M N 0.081 119.502 119.600 -0.297 0.000 2.175 251 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 251 M C 1.920 178.021 176.300 -0.332 0.000 1.063 251 M CA 1.657 56.741 55.300 -0.360 0.000 1.119 251 M CB -1.145 31.280 32.600 -0.290 0.000 1.377 251 M HN 0.268 nan 8.290 nan 0.000 0.415 252 K N -0.192 120.043 120.400 -0.277 0.000 2.103 252 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 252 K C 2.146 178.557 176.600 -0.315 0.000 1.048 252 K CA 1.303 57.461 56.287 -0.215 0.000 0.930 252 K CB -0.038 32.368 32.500 -0.155 0.000 0.716 252 K HN 0.316 nan 8.250 nan 0.000 0.444 253 R N -0.091 120.040 120.500 -0.616 0.000 2.073 253 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 253 R C 2.369 178.633 176.300 -0.060 0.000 1.120 253 R CA 1.080 56.745 56.100 -0.725 0.000 0.967 253 R CB -0.258 29.505 30.300 -0.894 0.000 0.862 253 R HN 0.148 nan 8.270 nan 0.000 0.436 254 A N 1.215 123.952 122.820 -0.138 0.000 1.902 254 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 254 A C 1.402 179.017 177.584 0.052 0.000 1.181 254 A CA 0.813 52.815 52.037 -0.059 0.000 0.623 254 A CB -0.447 18.349 19.000 -0.341 0.000 0.818 254 A HN 0.047 nan 8.150 nan 0.000 0.443 258 K N 0.537 121.076 120.400 0.231 0.000 2.032 258 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 258 K C 1.269 177.967 176.600 0.162 0.000 1.048 258 K CA 1.855 58.258 56.287 0.195 0.000 0.927 258 K CB -0.118 32.523 32.500 0.234 0.000 0.712 258 K HN 0.435 nan 8.250 nan 0.000 0.441 259 E N 0.593 120.895 120.200 0.170 0.000 2.347 259 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 259 E C 1.906 178.589 176.600 0.140 0.000 1.008 259 E CA 0.596 57.078 56.400 0.137 0.000 0.852 259 E CB 0.086 29.862 29.700 0.126 0.000 0.783 259 E HN 0.419 nan 8.360 nan 0.000 0.505 260 L N -0.397 120.930 121.223 0.174 0.000 2.558 260 L HA 0.123 4.463 4.340 -0.000 0.000 0.225 260 L C 1.418 178.432 176.870 0.240 0.000 1.128 260 L CA 0.456 55.415 54.840 0.197 0.000 0.868 260 L CB -0.100 42.082 42.059 0.205 0.000 1.006 260 L HN 0.181 nan 8.230 nan 0.000 0.454 261 G N 0.761 109.677 108.800 0.195 0.000 2.155 261 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 261 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 261 G C 0.403 175.441 174.900 0.230 0.000 0.983 261 G CA 0.317 45.537 45.100 0.200 0.000 0.676 261 G HN 0.271 nan 8.290 nan 0.000 0.528 262 V N -2.139 117.878 119.914 0.171 0.000 2.834 262 V HA 0.701 4.821 4.120 -0.000 0.000 0.301 262 V C -0.016 176.128 176.094 0.084 0.000 1.066 262 V CA -0.864 61.486 62.300 0.083 0.000 1.052 262 V CB 1.250 33.068 31.823 -0.008 0.000 1.021 262 V HN 0.048 nan 8.190 nan 0.000 0.480 263 P HA 0.249 nan 4.420 nan 0.000 0.224 263 P C 0.132 177.463 177.300 0.051 0.000 1.157 263 P CA 0.763 63.909 63.100 0.076 0.000 0.799 263 P CB 0.518 32.288 31.700 0.117 0.000 0.809 264 I N -0.282 120.323 120.570 0.060 0.000 2.752 264 I HA 0.384 4.554 4.170 -0.000 0.000 0.295 264 I C -1.152 174.976 176.117 0.020 0.000 1.219 264 I CA -1.596 59.710 61.300 0.011 0.000 1.030 264 I CB 2.326 40.315 38.000 -0.018 0.000 1.259 264 I HN -0.243 nan 8.210 nan 0.000 0.423 265 I N 4.418 124.980 120.570 -0.014 0.000 3.206 265 I HA 0.687 4.857 4.170 -0.000 0.000 0.313 265 I C -0.931 175.189 176.117 0.005 0.000 1.103 265 I CA -0.971 60.339 61.300 0.016 0.000 0.985 265 I CB 2.185 40.214 38.000 0.047 0.000 1.240 265 I HN 0.699 nan 8.210 nan 0.000 0.464 266 M N 1.608 121.256 119.600 0.081 0.000 2.644 266 M HA 0.646 5.126 4.480 -0.000 0.000 0.304 266 M C -1.535 174.873 176.300 0.180 0.000 1.215 266 M CA -0.535 54.844 55.300 0.131 0.000 0.871 266 M CB 2.213 34.967 32.600 0.256 0.000 1.740 266 M HN 0.800 nan 8.290 nan 0.000 0.464 267 H N -0.259 118.833 119.070 0.037 0.000 2.894 267 H HA 0.456 5.012 4.556 -0.000 0.000 0.367 267 H C -1.980 173.382 175.328 0.057 0.000 1.144 267 H CA -0.496 55.567 56.048 0.024 0.000 1.180 267 H CB 1.773 31.532 29.762 -0.005 0.000 1.758 267 H HN 0.762 nan 8.280 nan 0.000 0.541 268 D N 4.809 124.939 120.400 -0.450 0.000 2.441 268 D HA 0.009 4.649 4.640 -0.000 0.000 0.221 268 D C 0.697 176.673 176.300 -0.539 0.000 1.156 268 D CA -0.179 53.635 54.000 -0.310 0.000 0.896 268 D CB -0.069 40.593 40.800 -0.231 0.000 1.028 268 D HN 0.613 nan 8.370 nan 0.000 0.509 269 Y N 1.114 121.132 120.300 -0.470 0.000 2.352 269 Y HA -0.002 4.548 4.550 -0.000 0.000 0.292 269 Y C 1.245 176.841 175.900 -0.507 0.000 1.136 269 Y CA 0.794 58.633 58.100 -0.435 0.000 1.227 269 Y CB -0.427 37.868 38.460 -0.275 0.000 0.991 269 Y HN 0.244 nan 8.280 nan 0.000 0.545 270 L N 0.310 121.007 121.223 -0.878 0.000 2.249 270 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 270 L C 2.528 179.133 176.870 -0.442 0.000 1.090 270 L CA 1.312 55.662 54.840 -0.817 0.000 0.802 270 L CB -0.599 41.007 42.059 -0.754 0.000 0.947 270 L HN 0.398 nan 8.230 nan 0.000 0.453 271 T N -3.624 110.732 114.554 -0.331 0.000 2.978 271 T HA 0.011 4.361 4.350 -0.000 0.000 0.262 271 T C 1.885 176.471 174.700 -0.190 0.000 1.063 271 T CA 0.796 62.766 62.100 -0.217 0.000 1.140 271 T CB -0.426 68.344 68.868 -0.162 0.000 0.886 271 T HN 0.291 nan 8.240 nan 0.000 0.470 272 G N 1.398 110.052 108.800 -0.243 0.000 2.394 272 G HA2 0.432 4.392 3.960 -0.000 0.000 0.214 272 G HA3 0.432 4.392 3.960 -0.000 0.000 0.214 272 G C 0.870 175.736 174.900 -0.057 0.000 1.176 272 G CA 0.245 45.281 45.100 -0.106 0.000 0.786 272 G HN 1.232 nan 8.290 nan 0.000 0.533 273 G N -1.961 106.744 108.800 -0.159 0.000 2.587 273 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.686 273 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.686 273 G C 0.143 174.974 174.900 -0.115 0.000 1.236 273 G CA -0.169 44.813 45.100 -0.197 0.000 0.820 273 G HN 0.086 nan 8.290 nan 0.000 0.645 274 F N 0.594 120.530 119.950 -0.024 0.000 2.171 274 F HA -0.026 4.501 4.527 -0.000 0.000 0.300 274 F C 3.123 178.942 175.800 0.033 0.000 1.090 274 F CA 2.366 60.370 58.000 0.006 0.000 1.293 274 F CB -0.605 38.346 39.000 -0.081 0.000 1.013 274 F HN 0.555 nan 8.300 nan 0.000 0.486 275 T N -0.211 114.457 114.554 0.189 0.000 2.708 275 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 275 T C 2.320 177.063 174.700 0.071 0.000 1.037 275 T CA 1.425 63.594 62.100 0.115 0.000 1.146 275 T CB -0.716 68.199 68.868 0.079 0.000 0.865 275 T HN 0.284 nan 8.240 nan 0.000 0.435 276 A N 1.954 124.807 122.820 0.054 0.000 1.902 276 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 276 A C 2.265 179.806 177.584 -0.071 0.000 1.181 276 A CA 1.630 53.662 52.037 -0.009 0.000 0.623 276 A CB -0.813 18.196 19.000 0.015 0.000 0.818 276 A HN 0.553 nan 8.150 nan 0.000 0.443 277 N N -0.573 118.161 118.700 0.057 0.000 2.084 277 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 277 N C 1.632 177.163 175.510 0.035 0.000 1.030 277 N CA 2.041 55.123 53.050 0.054 0.000 0.849 277 N CB -0.148 38.499 38.487 0.266 0.000 1.012 277 N HN 0.438 nan 8.380 nan 0.000 0.423 278 T N 0.156 114.768 114.554 0.097 0.000 2.746 278 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 278 T C 2.130 176.849 174.700 0.033 0.000 1.039 278 T CA 1.234 63.385 62.100 0.084 0.000 1.142 278 T CB -0.332 68.609 68.868 0.122 0.000 0.866 278 T HN 0.204 nan 8.240 nan 0.000 0.444 279 S N 1.345 117.052 115.700 0.012 0.000 2.365 279 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 279 S C 1.944 176.537 174.600 -0.011 0.000 1.039 279 S CA 0.994 59.190 58.200 -0.006 0.000 1.033 279 S CB -0.560 62.622 63.200 -0.030 0.000 0.887 279 S HN 0.260 nan 8.310 nan 0.000 0.447 280 L N 1.627 122.803 121.223 -0.080 0.000 2.046 280 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 280 L C 2.357 179.233 176.870 0.010 0.000 1.077 280 L CA 1.809 56.599 54.840 -0.083 0.000 0.747 280 L CB -1.021 40.880 42.059 -0.263 0.000 0.896 280 L HN 0.255 nan 8.230 nan 0.000 0.432 281 A N -0.299 122.514 122.820 -0.013 0.000 1.902 281 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 281 A C 2.257 179.835 177.584 -0.011 0.000 1.181 281 A CA 2.134 54.163 52.037 -0.013 0.000 0.623 281 A CB -0.885 18.104 19.000 -0.018 0.000 0.818 281 A HN 0.497 nan 8.150 nan 0.000 0.443 282 I N -2.125 118.451 120.570 0.010 0.000 2.226 282 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 282 I C 2.452 178.580 176.117 0.019 0.000 1.100 282 I CA 1.758 63.060 61.300 0.003 0.000 1.374 282 I CB -0.422 37.586 38.000 0.014 0.000 1.057 282 I HN 0.536 nan 8.210 nan 0.000 0.413 283 Y N 0.966 121.240 120.300 -0.044 0.000 2.145 283 Y HA -0.331 4.219 4.550 -0.000 0.000 0.286 283 Y C 2.730 178.619 175.900 -0.019 0.000 1.145 283 Y CA 1.680 59.761 58.100 -0.031 0.000 1.148 283 Y CB -0.417 38.021 38.460 -0.036 0.000 0.981 283 Y HN 0.186 nan 8.280 nan 0.000 0.507 284 C N 0.178 119.533 119.300 0.091 0.000 2.429 284 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 284 C C 2.752 177.711 174.990 -0.051 0.000 1.262 284 C CA 1.456 60.501 59.018 0.044 0.000 1.733 284 C CB -1.239 26.548 27.740 0.079 0.000 2.010 284 C HN 0.592 nan 8.230 nan 0.000 0.483 285 R N 1.779 122.196 120.500 -0.139 0.000 2.073 285 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 285 R C 1.494 177.712 176.300 -0.136 0.000 1.134 285 R CA 2.052 58.023 56.100 -0.215 0.000 0.952 285 R CB -0.849 29.340 30.300 -0.185 0.000 0.850 285 R HN 0.427 nan 8.270 nan 0.000 0.433 286 D N -0.414 119.892 120.400 -0.157 0.000 2.348 286 D HA -0.030 4.610 4.640 -0.000 0.000 0.216 286 D C 0.393 176.573 176.300 -0.201 0.000 0.970 286 D CA 0.778 54.681 54.000 -0.162 0.000 0.889 286 D CB 0.057 40.758 40.800 -0.166 0.000 0.912 286 D HN 0.372 nan 8.370 nan 0.000 0.524 287 N N -0.831 117.716 118.700 -0.256 0.000 2.159 287 N HA 0.110 4.850 4.740 -0.000 0.000 0.217 287 N C 0.866 176.341 175.510 -0.059 0.000 1.223 287 N CA 0.376 53.290 53.050 -0.227 0.000 0.896 287 N CB 2.022 40.215 38.487 -0.489 0.000 1.064 287 N HN 0.061 nan 8.380 nan 0.000 0.518 288 G N 1.735 110.558 108.800 0.038 0.000 2.176 288 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.252 288 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.252 288 G C -0.183 174.769 174.900 0.086 0.000 1.024 288 G CA 0.027 45.206 45.100 0.132 0.000 0.755 288 G HN 0.224 nan 8.290 nan 0.000 0.507 289 L N 0.035 121.347 121.223 0.149 0.000 2.307 289 L HA 0.552 4.892 4.340 -0.000 0.000 0.282 289 L C 1.202 178.149 176.870 0.128 0.000 1.051 289 L CA -1.009 53.893 54.840 0.102 0.000 0.804 289 L CB 1.197 43.331 42.059 0.125 0.000 1.197 289 L HN 0.080 nan 8.230 nan 0.000 0.431 290 L N 3.614 124.821 121.223 -0.026 0.000 2.439 290 L HA 0.217 4.557 4.340 -0.000 0.000 0.269 290 L C -0.416 176.396 176.870 -0.097 0.000 1.179 290 L CA -0.238 54.565 54.840 -0.062 0.000 0.828 290 L CB 0.959 42.912 42.059 -0.176 0.000 1.106 290 L HN 0.391 nan 8.230 nan 0.000 0.467 291 L N 2.728 123.858 121.223 -0.155 0.000 2.377 291 L HA 0.331 4.671 4.340 -0.000 0.000 0.270 291 L C -0.603 176.074 176.870 -0.320 0.000 0.991 291 L CA -0.257 54.481 54.840 -0.170 0.000 0.851 291 L CB 1.018 43.032 42.059 -0.076 0.000 1.218 291 L HN 0.463 nan 8.230 nan 0.000 0.420 292 H N 5.356 124.121 119.070 -0.509 0.000 2.620 292 H HA 0.555 5.111 4.556 -0.000 0.000 0.313 292 H C -0.809 174.387 175.328 -0.220 0.000 1.075 292 H CA -0.423 55.273 56.048 -0.585 0.000 1.397 292 H CB 0.731 29.854 29.762 -1.066 0.000 1.446 292 H HN 0.498 nan 8.280 nan 0.000 0.493 293 I N 5.860 126.037 120.570 -0.655 0.000 2.339 293 I HA 0.115 4.285 4.170 -0.000 0.000 0.290 293 I C 0.167 176.083 176.117 -0.336 0.000 0.994 293 I CA -0.393 60.682 61.300 -0.374 0.000 1.191 293 I CB 0.819 38.601 38.000 -0.363 0.000 1.343 293 I HN 0.728 nan 8.210 nan 0.000 0.458 294 H N 7.454 126.418 119.070 -0.178 0.000 2.473 294 H HA 0.318 4.874 4.556 -0.000 0.000 0.327 294 H C 0.325 175.620 175.328 -0.055 0.000 1.105 294 H CA -0.461 55.469 56.048 -0.196 0.000 1.280 294 H CB 1.406 31.087 29.762 -0.136 0.000 1.450 294 H HN 0.574 nan 8.280 nan 0.000 0.492 295 R N 3.139 123.449 120.500 -0.317 0.000 2.568 295 R HA 0.405 4.745 4.340 -0.000 0.000 0.288 295 R C 0.209 176.524 176.300 0.026 0.000 1.077 295 R CA -0.442 55.661 56.100 0.006 0.000 1.102 295 R CB -0.043 30.224 30.300 -0.055 0.000 1.278 295 R HN 0.365 nan 8.270 nan 0.000 0.560 296 A N 1.569 124.503 122.820 0.191 0.000 2.598 296 A HA 0.019 4.339 4.320 -0.000 0.000 0.239 296 A C 0.976 178.564 177.584 0.008 0.000 1.032 296 A CA 0.977 53.115 52.037 0.169 0.000 0.760 296 A CB -0.187 18.889 19.000 0.127 0.000 0.946 296 A HN 0.870 nan 8.150 nan 0.000 0.512 297 M N 0.352 119.943 119.600 -0.016 0.000 2.995 297 M HA -0.303 4.177 4.480 -0.000 0.000 0.207 297 M C 1.055 177.298 176.300 -0.096 0.000 0.593 297 M CA 1.911 57.161 55.300 -0.082 0.000 0.791 297 M CB -2.021 30.513 32.600 -0.110 0.000 2.827 297 M HN 1.281 nan 8.290 nan 0.000 0.293 298 H N -0.691 118.317 119.070 -0.104 0.000 2.387 298 H HA 0.187 4.743 4.556 -0.000 0.000 0.299 298 H C 1.714 177.013 175.328 -0.049 0.000 1.099 298 H CA 2.093 58.107 56.048 -0.056 0.000 1.315 298 H CB -0.519 29.246 29.762 0.004 0.000 1.380 298 H HN 0.500 nan 8.280 nan 0.000 0.513 299 A N 1.141 123.439 122.820 -0.869 0.000 2.066 299 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 299 A C 2.509 179.941 177.584 -0.253 0.000 1.157 299 A CA 0.992 52.667 52.037 -0.604 0.000 0.670 299 A CB -0.701 17.936 19.000 -0.604 0.000 0.804 299 A HN 0.355 nan 8.150 nan 0.000 0.453 300 V N -0.087 119.713 119.914 -0.189 0.000 2.392 300 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 300 V C 2.240 178.303 176.094 -0.052 0.000 1.059 300 V CA 2.292 64.534 62.300 -0.097 0.000 1.051 300 V CB -0.585 31.190 31.823 -0.080 0.000 0.658 300 V HN 0.620 nan 8.190 nan 0.000 0.455 301 I N 0.465 121.005 120.570 -0.050 0.000 2.927 301 I HA -0.013 4.157 4.170 -0.000 0.000 0.268 301 I C 1.744 177.871 176.117 0.016 0.000 1.153 301 I CA 1.118 62.415 61.300 -0.004 0.000 1.459 301 I CB -0.116 37.891 38.000 0.012 0.000 1.149 301 I HN 0.451 nan 8.210 nan 0.000 0.443 302 D N -0.295 120.102 120.400 -0.004 0.000 2.433 302 D HA -0.035 4.605 4.640 -0.000 0.000 0.211 302 D C 1.837 178.122 176.300 -0.024 0.000 1.114 302 D CA 0.001 54.008 54.000 0.012 0.000 0.837 302 D CB 0.060 40.912 40.800 0.087 0.000 0.984 302 D HN -0.050 nan 8.370 nan 0.000 0.505 303 R N 0.235 120.713 120.500 -0.036 0.000 2.062 303 R HA 0.064 4.404 4.340 -0.000 0.000 0.226 303 R C 0.451 176.767 176.300 0.026 0.000 1.125 303 R CA 1.095 57.177 56.100 -0.029 0.000 0.966 303 R CB -0.156 30.108 30.300 -0.060 0.000 0.861 303 R HN 0.033 nan 8.270 nan 0.000 0.433 304 Q N 0.532 120.362 119.800 0.051 0.000 2.261 304 Q HA 0.086 4.426 4.340 -0.000 0.000 0.252 304 Q C 0.313 176.381 176.000 0.113 0.000 0.915 304 Q CA 0.058 55.909 55.803 0.080 0.000 0.915 304 Q CB 1.381 30.173 28.738 0.091 0.000 1.204 304 Q HN 0.241 nan 8.270 nan 0.000 0.421 305 R N 2.304 122.871 120.500 0.112 0.000 2.148 305 R HA -0.119 4.221 4.340 -0.000 0.000 0.227 305 R C 1.224 177.600 176.300 0.126 0.000 1.103 305 R CA 1.494 57.671 56.100 0.127 0.000 0.983 305 R CB 0.313 30.677 30.300 0.107 0.000 0.874 305 R HN 0.642 nan 8.270 nan 0.000 0.451 306 N N -1.141 117.637 118.700 0.130 0.000 2.392 306 N HA -0.101 4.639 4.740 -0.000 0.000 0.177 306 N C -0.366 175.272 175.510 0.213 0.000 1.066 306 N CA 0.621 53.755 53.050 0.140 0.000 0.895 306 N CB 0.124 38.682 38.487 0.118 0.000 0.988 306 N HN 0.257 nan 8.380 nan 0.000 0.457 307 H N -1.471 117.671 119.070 0.121 0.000 3.029 307 H HA 0.560 5.116 4.556 -0.000 0.000 0.358 307 H C 0.072 175.510 175.328 0.184 0.000 1.129 307 H CA 0.381 56.534 56.048 0.174 0.000 1.230 307 H CB 1.441 31.291 29.762 0.148 0.000 1.827 307 H HN 0.324 nan 8.280 nan 0.000 0.530 308 G N 2.454 111.217 108.800 -0.062 0.000 2.250 308 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.196 308 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.196 308 G C -1.545 173.378 174.900 0.040 0.000 1.308 308 G CA -0.297 44.798 45.100 -0.007 0.000 1.207 308 G HN 0.657 nan 8.290 nan 0.000 0.505 309 I N 0.867 121.456 120.570 0.032 0.000 2.548 309 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 309 I C 0.067 176.247 176.117 0.106 0.000 1.103 309 I CA -0.861 60.471 61.300 0.054 0.000 1.049 309 I CB 2.029 40.033 38.000 0.007 0.000 1.232 309 I HN 0.690 nan 8.210 nan 0.000 0.429 310 H N 4.868 123.972 119.070 0.057 0.000 2.871 310 H HA -0.012 4.544 4.556 -0.000 0.000 0.355 310 H C 0.476 175.875 175.328 0.120 0.000 1.092 310 H CA 0.781 56.896 56.048 0.111 0.000 1.420 310 H CB 1.018 30.842 29.762 0.103 0.000 1.400 310 H HN 0.654 nan 8.280 nan 0.000 0.604 311 F N 5.288 125.059 119.950 -0.299 0.000 2.250 311 F HA -0.213 4.314 4.527 0.000 0.000 0.301 311 F C 2.564 178.289 175.800 -0.126 0.000 1.077 311 F CA 1.656 59.533 58.000 -0.205 0.000 1.348 311 F CB -0.097 38.657 39.000 -0.411 0.000 1.040 311 F HN 0.676 nan 8.300 nan 0.000 0.509 312 R N -0.330 120.239 120.500 0.114 0.000 2.105 312 R HA -0.129 4.211 4.340 -0.000 0.000 0.239 312 R C 1.804 178.070 176.300 -0.057 0.000 1.135 312 R CA 1.999 58.118 56.100 0.032 0.000 0.967 312 R CB -1.483 29.024 30.300 0.344 0.000 0.861 312 R HN 0.285 nan 8.270 nan 0.000 0.442 313 V N 2.010 121.927 119.914 0.006 0.000 2.358 313 V HA -0.172 3.947 4.120 -0.000 0.000 0.246 313 V C 2.515 178.635 176.094 0.044 0.000 1.047 313 V CA 1.560 63.866 62.300 0.010 0.000 1.035 313 V CB -0.448 31.366 31.823 -0.015 0.000 0.658 313 V HN 0.280 nan 8.190 nan 0.000 0.452 314 L N 0.179 121.388 121.223 -0.023 0.000 2.131 314 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 314 L C 2.671 179.434 176.870 -0.178 0.000 1.092 314 L CA 1.468 56.332 54.840 0.040 0.000 0.759 314 L CB -0.793 41.283 42.059 0.028 0.000 0.903 314 L HN 0.375 nan 8.230 nan 0.000 0.435 315 A N 0.083 122.519 122.820 -0.640 0.000 1.897 315 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 315 A C 2.352 179.819 177.584 -0.195 0.000 1.181 315 A CA 1.198 52.896 52.037 -0.566 0.000 0.620 315 A CB -0.242 18.315 19.000 -0.739 0.000 0.821 315 A HN 0.250 nan 8.150 nan 0.000 0.443 316 K N -0.151 120.227 120.400 -0.037 0.000 2.032 316 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 316 K C 2.313 178.974 176.600 0.102 0.000 1.048 316 K CA 1.213 57.608 56.287 0.180 0.000 0.927 316 K CB -0.367 32.274 32.500 0.236 0.000 0.712 316 K HN 0.433 nan 8.250 nan 0.000 0.441 317 A N 1.915 124.784 122.820 0.082 0.000 1.908 317 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 317 A C 2.065 179.664 177.584 0.025 0.000 1.181 317 A CA 1.195 53.249 52.037 0.027 0.000 0.627 317 A CB -0.594 18.464 19.000 0.097 0.000 0.818 317 A HN 0.261 nan 8.150 nan 0.000 0.445 318 L N -0.466 120.780 121.223 0.038 0.000 2.056 318 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 318 L C 2.512 179.266 176.870 -0.194 0.000 1.078 318 L CA 2.335 57.083 54.840 -0.153 0.000 0.749 318 L CB -0.868 40.854 42.059 -0.561 0.000 0.901 318 L HN 0.547 nan 8.230 nan 0.000 0.433 319 R N -0.503 119.859 120.500 -0.229 0.000 2.091 319 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 319 R C 2.316 178.468 176.300 -0.246 0.000 1.136 319 R CA 2.013 57.923 56.100 -0.315 0.000 0.959 319 R CB -0.127 29.824 30.300 -0.582 0.000 0.856 319 R HN 0.373 nan 8.270 nan 0.000 0.437 320 M N -1.062 118.408 119.600 -0.218 0.000 2.123 320 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 320 M C 2.507 178.703 176.300 -0.174 0.000 1.069 320 M CA 1.713 56.792 55.300 -0.368 0.000 1.133 320 M CB -0.207 31.898 32.600 -0.824 0.000 1.356 320 M HN 0.128 nan 8.290 nan 0.000 0.415 321 S N -0.334 115.321 115.700 -0.074 0.000 2.383 321 S HA 0.095 4.565 4.470 -0.000 0.000 0.227 321 S C 0.827 175.459 174.600 0.054 0.000 1.026 321 S CA 1.176 59.432 58.200 0.093 0.000 0.981 321 S CB -0.344 63.004 63.200 0.248 0.000 0.818 321 S HN 0.668 nan 8.310 nan 0.000 0.472 322 G N -1.432 107.349 108.800 -0.032 0.000 3.239 322 G HA2 0.412 4.372 3.960 -0.000 0.000 0.666 322 G HA3 0.412 4.372 3.960 -0.000 0.000 0.666 322 G C -0.326 174.510 174.900 -0.107 0.000 1.313 322 G CA -0.482 44.577 45.100 -0.068 0.000 1.001 322 G HN 0.996 nan 8.290 nan 0.000 0.573 323 G N 0.703 109.415 108.800 -0.146 0.000 2.733 323 G HA2 0.600 4.560 3.960 -0.000 0.000 0.297 323 G HA3 0.600 4.560 3.960 -0.000 0.000 0.297 323 G C -0.063 174.748 174.900 -0.148 0.000 1.452 323 G CA 0.204 45.203 45.100 -0.168 0.000 0.940 323 G HN 0.339 nan 8.290 nan 0.000 0.547 324 D N -0.112 120.203 120.400 -0.142 0.000 2.213 324 D HA 0.060 4.700 4.640 -0.000 0.000 0.205 324 D C 0.455 176.784 176.300 0.048 0.000 0.961 324 D CA 1.146 55.103 54.000 -0.073 0.000 0.853 324 D CB 0.267 41.012 40.800 -0.092 0.000 0.967 324 D HN 0.601 nan 8.370 nan 0.000 0.496 325 H N -0.888 118.052 119.070 -0.216 0.000 2.679 325 H HA 0.566 5.122 4.556 -0.000 0.000 0.367 325 H C -1.035 174.097 175.328 -0.327 0.000 1.162 325 H CA -1.106 54.794 56.048 -0.247 0.000 1.181 325 H CB 2.635 32.253 29.762 -0.240 0.000 1.693 325 H HN -0.126 nan 8.280 nan 0.000 0.538 326 L N 1.648 122.798 121.223 -0.121 0.000 2.482 326 L HA 0.225 4.565 4.340 -0.000 0.000 0.263 326 L C -0.856 175.981 176.870 -0.055 0.000 0.957 326 L CA -0.415 54.343 54.840 -0.136 0.000 0.836 326 L CB 1.645 43.629 42.059 -0.125 0.000 1.324 326 L HN 0.711 nan 8.230 nan 0.000 0.406 327 H N 2.509 121.461 119.070 -0.195 0.000 2.928 327 H HA 0.182 4.738 4.556 -0.000 0.000 0.338 327 H C 0.282 175.519 175.328 -0.152 0.000 1.047 327 H CA 0.848 56.781 56.048 -0.193 0.000 1.435 327 H CB 1.064 30.637 29.762 -0.314 0.000 1.428 327 H HN 0.782 nan 8.280 nan 0.000 0.590 328 S N 1.688 117.389 115.700 0.002 0.000 2.604 328 S HA 0.310 4.780 4.470 -0.000 0.000 0.235 328 S C 0.974 175.699 174.600 0.208 0.000 1.043 328 S CA 0.160 58.496 58.200 0.226 0.000 0.997 328 S CB 1.251 64.670 63.200 0.364 0.000 0.956 328 S HN 1.079 nan 8.310 nan 0.000 0.535 329 G N 0.978 109.798 108.800 0.033 0.000 2.661 329 G HA2 0.009 3.969 3.960 -0.000 0.000 0.685 329 G HA3 0.009 3.969 3.960 -0.000 0.000 0.685 329 G C 0.204 175.173 174.900 0.115 0.000 1.298 329 G CA 0.253 45.384 45.100 0.052 0.000 0.855 329 G HN 1.005 nan 8.290 nan 0.000 0.560 330 T N -3.491 111.106 114.554 0.071 0.000 2.969 330 T HA 0.473 4.823 4.350 -0.000 0.000 0.258 330 T C 1.787 176.535 174.700 0.080 0.000 0.962 330 T CA 1.327 63.471 62.100 0.074 0.000 0.903 330 T CB 0.478 69.284 68.868 -0.103 0.000 1.177 330 T HN 2.283 nan 8.240 nan 0.000 0.511 331 V N 0.960 120.897 119.914 0.040 0.000 0.481 331 V HA -0.338 3.782 4.120 -0.000 0.000 0.092 331 V C 2.047 178.141 176.094 -0.001 0.000 2.400 331 V CA 2.117 64.424 62.300 0.011 0.000 3.646 331 V CB -1.928 29.884 31.823 -0.017 0.000 0.927 331 V HN 0.754 nan 8.190 nan 0.000 0.973 332 V N -1.272 118.609 119.914 -0.056 0.000 3.650 332 V HA 0.687 4.807 4.120 -0.000 0.000 0.271 332 V C 1.236 177.223 176.094 -0.178 0.000 1.281 332 V CA 1.258 63.502 62.300 -0.095 0.000 1.120 332 V CB -0.001 31.741 31.823 -0.136 0.000 0.856 332 V HN 0.910 nan 8.190 nan 0.000 0.443 333 G N 1.371 110.032 108.800 -0.232 0.000 2.531 333 G HA2 0.285 4.245 3.960 -0.000 0.000 0.253 333 G HA3 0.285 4.245 3.960 -0.000 0.000 0.253 333 G C 0.719 175.337 174.900 -0.470 0.000 1.439 333 G CA 0.033 44.923 45.100 -0.349 0.000 1.056 333 G HN 0.487 nan 8.290 nan 0.000 0.555 334 K N -1.241 118.676 120.400 -0.805 0.000 2.432 334 K HA 0.174 4.494 4.320 -0.000 0.000 0.196 334 K C 0.133 176.542 176.600 -0.319 0.000 1.038 334 K CA 0.311 56.090 56.287 -0.848 0.000 0.986 334 K CB -0.196 31.784 32.500 -0.866 0.000 0.782 334 K HN 0.175 nan 8.250 nan 0.000 0.485 335 L N 1.733 122.823 121.223 -0.221 0.000 2.334 335 L HA 0.315 4.655 4.340 -0.000 0.000 0.273 335 L C -0.152 176.682 176.870 -0.059 0.000 1.013 335 L CA -0.946 53.821 54.840 -0.121 0.000 0.816 335 L CB 1.861 43.862 42.059 -0.096 0.000 1.278 335 L HN 0.096 nan 8.230 nan 0.000 0.431 336 E N 0.919 121.100 120.200 -0.032 0.000 2.373 336 E HA 0.529 4.879 4.350 -0.000 0.000 0.267 336 E C -0.446 176.180 176.600 0.042 0.000 1.032 336 E CA -0.180 56.229 56.400 0.014 0.000 0.889 336 E CB 0.907 30.613 29.700 0.010 0.000 0.984 336 E HN 0.750 nan 8.360 nan 0.000 0.425 337 G N 3.963 112.802 108.800 0.065 0.000 2.030 337 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.309 337 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.309 337 G C -1.192 173.751 174.900 0.071 0.000 1.668 337 G CA -0.760 44.399 45.100 0.098 0.000 0.926 337 G HN 0.480 nan 8.290 nan 0.000 0.652 338 E N 2.148 122.395 120.200 0.079 0.000 2.354 338 E HA 0.167 4.517 4.350 -0.000 0.000 0.269 338 E C 1.494 178.088 176.600 -0.011 0.000 1.036 338 E CA -0.645 55.782 56.400 0.044 0.000 0.876 338 E CB 1.111 30.848 29.700 0.061 0.000 1.009 338 E HN 0.591 nan 8.360 nan 0.000 0.416 339 R N 3.049 123.528 120.500 -0.035 0.000 2.115 339 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 339 R C 1.387 177.614 176.300 -0.122 0.000 1.133 339 R CA 1.919 57.964 56.100 -0.092 0.000 0.935 339 R CB 0.030 30.285 30.300 -0.075 0.000 0.853 339 R HN 0.510 nan 8.270 nan 0.000 0.433 340 E N 0.043 120.197 120.200 -0.078 0.000 2.150 340 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 340 E C 2.132 178.678 176.600 -0.091 0.000 0.985 340 E CA 1.005 57.357 56.400 -0.080 0.000 0.814 340 E CB -0.180 29.492 29.700 -0.046 0.000 0.752 340 E HN 0.253 nan 8.360 nan 0.000 0.466 341 V N 1.681 121.564 119.914 -0.053 0.000 2.261 341 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 341 V C 2.449 178.363 176.094 -0.300 0.000 1.047 341 V CA 1.494 63.787 62.300 -0.012 0.000 1.015 341 V CB -0.452 31.474 31.823 0.172 0.000 0.642 341 V HN 0.193 nan 8.190 nan 0.000 0.446 342 I N -0.501 119.812 120.570 -0.429 0.000 2.226 342 I HA -0.248 3.921 4.170 -0.000 0.000 0.245 342 I C 2.346 178.037 176.117 -0.710 0.000 1.100 342 I CA 1.550 62.330 61.300 -0.866 0.000 1.374 342 I CB -0.295 37.482 38.000 -0.372 0.000 1.057 342 I HN 0.266 nan 8.210 nan 0.000 0.413 343 L N 0.358 121.342 121.223 -0.398 0.000 2.131 343 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 343 L C 2.640 179.399 176.870 -0.185 0.000 1.092 343 L CA 1.437 56.115 54.840 -0.271 0.000 0.759 343 L CB -1.074 40.866 42.059 -0.199 0.000 0.903 343 L HN 0.324 nan 8.230 nan 0.000 0.435 344 G N 1.002 109.695 108.800 -0.178 0.000 2.453 344 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.215 344 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.215 344 G C 1.291 176.222 174.900 0.052 0.000 1.201 344 G CA 0.993 46.063 45.100 -0.050 0.000 0.784 344 G HN 0.472 nan 8.290 nan 0.000 0.545 345 F N 0.718 120.749 119.950 0.135 0.000 2.456 345 F HA 0.242 4.769 4.527 -0.000 0.000 0.298 345 F C 2.169 178.053 175.800 0.140 0.000 1.104 345 F CA -0.037 58.058 58.000 0.158 0.000 1.435 345 F CB -0.892 38.237 39.000 0.216 0.000 1.078 345 F HN -0.004 nan 8.300 nan 0.000 0.546 346 V N 1.389 121.394 119.914 0.152 0.000 2.343 346 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 346 V C 2.144 178.320 176.094 0.137 0.000 1.051 346 V CA 2.351 64.762 62.300 0.186 0.000 1.036 346 V CB -0.700 31.183 31.823 0.100 0.000 0.654 346 V HN 0.237 nan 8.190 nan 0.000 0.451 347 D N 0.030 120.489 120.400 0.098 0.000 2.117 347 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 347 D C 2.107 178.499 176.300 0.154 0.000 0.987 347 D CA 1.169 55.232 54.000 0.104 0.000 0.829 347 D CB -0.278 40.572 40.800 0.083 0.000 0.961 347 D HN 0.339 nan 8.370 nan 0.000 0.460 348 L N -0.207 121.143 121.223 0.213 0.000 2.131 348 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 348 L C 2.472 179.432 176.870 0.151 0.000 1.092 348 L CA 0.803 55.832 54.840 0.316 0.000 0.759 348 L CB -0.250 42.019 42.059 0.351 0.000 0.903 348 L HN 0.053 nan 8.230 nan 0.000 0.435 349 M N -1.311 118.332 119.600 0.070 0.000 2.193 349 M HA -0.105 4.375 4.480 -0.000 0.000 0.265 349 M C 2.306 178.505 176.300 -0.169 0.000 1.071 349 M CA 1.596 56.843 55.300 -0.088 0.000 1.140 349 M CB -0.091 32.530 32.600 0.035 0.000 1.369 349 M HN 0.113 nan 8.290 nan 0.000 0.423 350 R N -0.483 119.985 120.500 -0.054 0.000 2.146 350 R HA 0.088 4.428 4.340 -0.000 0.000 0.206 350 R C 0.019 176.297 176.300 -0.037 0.000 1.049 350 R CA 0.317 56.390 56.100 -0.044 0.000 1.029 350 R CB 0.134 30.448 30.300 0.023 0.000 0.949 350 R HN 0.255 nan 8.270 nan 0.000 0.471 351 D N 0.237 120.650 120.400 0.022 0.000 2.348 351 D HA 0.001 4.641 4.640 -0.000 0.000 0.249 351 D C 0.329 176.724 176.300 0.158 0.000 1.110 351 D CA -0.052 54.007 54.000 0.097 0.000 0.967 351 D CB 1.047 41.934 40.800 0.145 0.000 1.139 351 D HN -0.111 nan 8.370 nan 0.000 0.466 352 D N -1.243 119.283 120.400 0.211 0.000 2.240 352 D HA -0.070 4.570 4.640 -0.000 0.000 0.206 352 D C -0.648 175.906 176.300 0.425 0.000 0.963 352 D CA 0.608 54.785 54.000 0.296 0.000 0.863 352 D CB 0.275 41.204 40.800 0.214 0.000 0.973 352 D HN 0.319 nan 8.370 nan 0.000 0.501 353 Y N -0.243 120.177 120.300 0.200 0.000 2.396 353 Y HA 0.456 5.006 4.550 -0.000 0.000 0.332 353 Y C -1.683 174.295 175.900 0.130 0.000 1.034 353 Y CA -0.961 57.224 58.100 0.142 0.000 1.057 353 Y CB 1.679 40.190 38.460 0.086 0.000 1.220 353 Y HN -0.326 nan 8.280 nan 0.000 0.440 354 V N 5.923 125.750 119.914 -0.146 0.000 2.482 354 V HA 0.330 4.450 4.120 -0.000 0.000 0.295 354 V C -0.546 175.443 176.094 -0.175 0.000 1.026 354 V CA -1.019 61.257 62.300 -0.040 0.000 0.856 354 V CB 1.487 33.346 31.823 0.061 0.000 1.001 354 V HN 0.724 nan 8.190 nan 0.000 0.424 355 E N 2.780 122.953 120.200 -0.045 0.000 2.373 355 E HA 0.201 4.551 4.350 -0.000 0.000 0.263 355 E C -0.020 176.568 176.600 -0.020 0.000 1.073 355 E CA -0.641 55.741 56.400 -0.030 0.000 0.894 355 E CB 1.424 31.169 29.700 0.076 0.000 1.008 355 E HN 0.552 nan 8.360 nan 0.000 0.420 356 K N 1.945 122.334 120.400 -0.018 0.000 2.569 356 K HA -0.155 4.165 4.320 -0.000 0.000 0.280 356 K C -0.664 175.912 176.600 -0.040 0.000 0.984 356 K CA 0.812 57.084 56.287 -0.025 0.000 1.064 356 K CB 0.275 32.762 32.500 -0.022 0.000 0.866 356 K HN 0.393 nan 8.250 nan 0.000 0.492 357 D N 3.714 124.073 120.400 -0.069 0.000 2.474 357 D HA 0.129 4.769 4.640 -0.000 0.000 0.234 357 D C 0.228 176.451 176.300 -0.128 0.000 1.323 357 D CA -0.452 53.502 54.000 -0.076 0.000 0.915 357 D CB 0.488 41.264 40.800 -0.041 0.000 1.487 357 D HN 0.499 nan 8.370 nan 0.000 0.524 358 R N 0.614 121.004 120.500 -0.183 0.000 2.193 358 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 358 R C 1.796 177.982 176.300 -0.190 0.000 1.110 358 R CA 1.142 57.074 56.100 -0.280 0.000 0.988 358 R CB -0.489 29.623 30.300 -0.314 0.000 0.871 358 R HN 0.485 nan 8.270 nan 0.000 0.458 359 S N 0.152 115.780 115.700 -0.120 0.000 2.507 359 S HA -0.029 4.441 4.470 -0.000 0.000 0.235 359 S C 1.459 176.018 174.600 -0.069 0.000 0.988 359 S CA 0.573 58.724 58.200 -0.082 0.000 0.944 359 S CB 0.027 63.191 63.200 -0.059 0.000 0.762 359 S HN 0.256 nan 8.310 nan 0.000 0.526 360 R N 0.022 120.477 120.500 -0.075 0.000 2.577 360 R HA 0.309 4.649 4.340 -0.000 0.000 0.344 360 R C 1.132 177.406 176.300 -0.043 0.000 1.037 360 R CA 0.285 56.352 56.100 -0.055 0.000 1.102 360 R CB 0.424 30.696 30.300 -0.048 0.000 1.313 360 R HN 0.498 nan 8.270 nan 0.000 0.561 361 G N 1.838 110.589 108.800 -0.083 0.000 2.153 361 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.252 361 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.252 361 G C 0.160 175.071 174.900 0.018 0.000 0.994 361 G CA 0.025 45.088 45.100 -0.062 0.000 0.698 361 G HN 0.293 nan 8.290 nan 0.000 0.521 362 I N 0.681 121.227 120.570 -0.040 0.000 2.281 362 I HA 0.314 4.484 4.170 -0.000 0.000 0.293 362 I C 1.266 177.346 176.117 -0.062 0.000 1.085 362 I CA -0.860 60.457 61.300 0.028 0.000 1.257 362 I CB 0.426 38.440 38.000 0.024 0.000 1.430 362 I HN 0.066 nan 8.210 nan 0.000 0.489 363 Y N 5.209 125.393 120.300 -0.194 0.000 2.475 363 Y HA 0.166 4.716 4.550 -0.000 0.000 0.289 363 Y C 0.251 175.792 175.900 -0.597 0.000 1.121 363 Y CA 0.499 58.346 58.100 -0.422 0.000 1.257 363 Y CB 0.016 38.098 38.460 -0.630 0.000 1.026 363 Y HN 0.305 nan 8.280 nan 0.000 0.555 364 F N -1.673 118.370 119.950 0.155 0.000 2.576 364 F HA 0.373 4.900 4.527 -0.000 0.000 0.313 364 F C 0.242 176.020 175.800 -0.036 0.000 1.078 364 F CA -1.797 56.238 58.000 0.058 0.000 0.921 364 F CB 0.964 39.990 39.000 0.043 0.000 1.232 364 F HN -0.489 nan 8.300 nan 0.000 0.459 365 T N 1.882 116.503 114.554 0.111 0.000 2.888 365 T HA 0.186 4.536 4.350 -0.000 0.000 0.301 365 T C -0.354 174.233 174.700 -0.188 0.000 1.001 365 T CA 0.101 62.147 62.100 -0.090 0.000 1.147 365 T CB 0.420 69.218 68.868 -0.116 0.000 0.931 365 T HN 0.425 nan 8.240 nan 0.000 0.541 366 Q N 2.730 122.333 119.800 -0.328 0.000 2.333 366 Q HA 0.338 4.677 4.340 -0.000 0.000 0.268 366 Q C -1.426 174.235 176.000 -0.564 0.000 1.007 366 Q CA -0.660 54.885 55.803 -0.430 0.000 0.810 366 Q CB 1.230 29.744 28.738 -0.372 0.000 1.264 366 Q HN 0.492 nan 8.270 nan 0.000 0.452 367 D N 3.943 124.053 120.400 -0.483 0.000 2.414 367 D HA 0.264 4.904 4.640 -0.000 0.000 0.232 367 D C -1.124 175.052 176.300 -0.206 0.000 1.070 367 D CA -0.222 53.660 54.000 -0.196 0.000 0.839 367 D CB 0.398 41.218 40.800 0.033 0.000 1.079 367 D HN 0.468 nan 8.370 nan 0.000 0.521 371 M N 4.197 123.876 119.600 0.130 0.000 2.260 371 M HA 0.252 4.731 4.480 -0.000 0.000 0.348 371 M C -2.686 173.598 176.300 -0.027 0.000 1.342 371 M CA -1.043 54.295 55.300 0.063 0.000 1.040 371 M CB -0.315 32.352 32.600 0.111 0.000 1.810 371 M HN -0.137 nan 8.290 nan 0.000 0.453 372 P HA 0.166 nan 4.420 nan 0.000 0.267 372 P C -0.396 176.814 177.300 -0.151 0.000 1.201 372 P CA -0.021 63.039 63.100 -0.067 0.000 0.775 372 P CB 0.271 31.942 31.700 -0.048 0.000 0.854 373 G N 0.809 109.538 108.800 -0.119 0.000 2.476 373 G HA2 0.434 4.394 3.960 -0.000 0.000 0.269 373 G HA3 0.434 4.394 3.960 -0.000 0.000 0.269 373 G C -0.789 174.036 174.900 -0.125 0.000 1.195 373 G CA -0.391 44.614 45.100 -0.158 0.000 0.843 373 G HN 0.356 nan 8.290 nan 0.000 0.545 374 V N 3.032 122.855 119.914 -0.151 0.000 2.427 374 V HA 0.303 4.423 4.120 -0.000 0.000 0.286 374 V C 0.524 176.585 176.094 -0.054 0.000 1.034 374 V CA -0.642 61.595 62.300 -0.106 0.000 0.893 374 V CB 1.574 33.301 31.823 -0.160 0.000 0.982 374 V HN 0.833 nan 8.190 nan 0.000 0.452 375 M N 8.807 128.393 119.600 -0.022 0.000 2.227 375 M HA 0.294 4.774 4.480 -0.000 0.000 0.349 375 M C -2.308 173.926 176.300 -0.110 0.000 1.443 375 M CA -1.381 53.880 55.300 -0.065 0.000 1.110 375 M CB 1.128 33.655 32.600 -0.122 0.000 1.773 375 M HN 0.381 nan 8.290 nan 0.000 0.463 376 P HA 0.137 nan 4.420 nan 0.000 0.275 376 P C -1.273 175.866 177.300 -0.269 0.000 1.227 376 P CA -0.275 62.775 63.100 -0.084 0.000 0.781 376 P CB 0.867 32.604 31.700 0.062 0.000 0.906 377 V N 2.867 122.593 119.914 -0.313 0.000 2.378 377 V HA 0.491 4.611 4.120 -0.000 0.000 0.288 377 V C 0.459 176.250 176.094 -0.506 0.000 1.016 377 V CA -0.838 61.187 62.300 -0.457 0.000 0.840 377 V CB 1.197 32.693 31.823 -0.545 0.000 0.994 377 V HN 0.685 nan 8.190 nan 0.000 0.431 378 A N 3.902 126.369 122.820 -0.588 0.000 2.276 378 A HA 0.800 5.120 4.320 -0.000 0.000 0.300 378 A C 0.094 177.430 177.584 -0.414 0.000 1.235 378 A CA -0.165 51.566 52.037 -0.510 0.000 0.867 378 A CB 0.909 19.497 19.000 -0.687 0.000 1.137 378 A HN 0.831 nan 8.150 nan 0.000 0.527 379 S N 1.507 117.036 115.700 -0.285 0.000 2.533 379 S HA 0.744 5.214 4.470 -0.000 0.000 0.271 379 S C -0.520 173.983 174.600 -0.162 0.000 1.143 379 S CA 0.383 58.446 58.200 -0.228 0.000 0.891 379 S CB 1.327 64.480 63.200 -0.079 0.000 1.105 379 S HN 2.579 nan 8.310 nan 0.000 0.468 380 G N 1.718 110.403 108.800 -0.191 0.000 3.152 380 G HA2 0.447 4.407 3.960 -0.000 0.000 0.666 380 G HA3 0.447 4.407 3.960 -0.000 0.000 0.666 380 G C 0.833 175.573 174.900 -0.266 0.000 1.205 380 G CA 0.303 45.299 45.100 -0.173 0.000 1.178 380 G HN 2.125 nan 8.290 nan 0.000 0.510 381 G N 0.308 108.972 108.800 -0.227 0.000 2.160 381 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.251 381 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.251 381 G C 0.643 175.517 174.900 -0.044 0.000 1.008 381 G CA 1.002 45.952 45.100 -0.250 0.000 0.724 381 G HN 2.295 nan 8.290 nan 0.000 0.514 382 I N -1.936 118.590 120.570 -0.073 0.000 2.577 382 I HA 0.946 5.116 4.170 -0.000 0.000 0.305 382 I C 0.273 176.604 176.117 0.356 0.000 0.986 382 I CA -1.218 60.129 61.300 0.078 0.000 1.189 382 I CB 1.481 39.366 38.000 -0.192 0.000 1.355 382 I HN 0.348 nan 8.210 nan 0.000 0.476 383 H N 1.506 120.940 119.070 0.607 0.000 2.947 383 H HA 0.452 5.008 4.556 -0.000 0.000 0.290 383 H C 0.610 176.055 175.328 0.195 0.000 1.430 383 H CA -0.397 55.777 56.048 0.211 0.000 1.189 383 H CB 0.512 30.121 29.762 -0.255 0.000 1.875 383 H HN 0.335 nan 8.280 nan 0.000 0.568 384 V N -2.860 117.185 119.914 0.219 0.000 2.392 384 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 384 V C 1.380 177.453 176.094 -0.035 0.000 1.059 384 V CA 1.760 64.041 62.300 -0.031 0.000 1.051 384 V CB -1.253 30.478 31.823 -0.154 0.000 0.658 384 V HN 0.769 nan 8.190 nan 0.000 0.455 385 W N -0.184 121.231 121.300 0.190 0.000 2.465 385 W HA 0.000 4.660 4.660 -0.000 0.000 0.268 385 W C 2.641 179.126 176.519 -0.058 0.000 1.242 385 W CA 1.227 58.599 57.345 0.045 0.000 1.248 385 W CB -0.475 29.041 29.460 0.093 0.000 1.118 385 W HN 0.350 nan 8.180 nan 0.000 0.587 386 H N -0.832 118.345 119.070 0.177 0.000 2.547 386 H HA -0.018 4.538 4.556 -0.000 0.000 0.272 386 H C 1.898 177.315 175.328 0.148 0.000 0.989 386 H CA 1.092 57.208 56.048 0.113 0.000 1.214 386 H CB -0.468 29.307 29.762 0.021 0.000 1.389 386 H HN 0.177 nan 8.280 nan 0.000 0.577 387 M N 1.467 121.211 119.600 0.241 0.000 2.082 387 M HA -0.083 4.397 4.480 -0.000 0.000 0.258 387 M C -0.952 175.442 176.300 0.156 0.000 1.069 387 M CA 1.655 57.070 55.300 0.191 0.000 1.102 387 M CB -0.869 31.781 32.600 0.083 0.000 1.336 387 M HN 0.063 nan 8.290 nan 0.000 0.404 388 P HA -0.064 nan 4.420 nan 0.000 0.216 388 P C 1.136 178.509 177.300 0.120 0.000 1.153 388 P CA 2.160 65.327 63.100 0.113 0.000 0.848 388 P CB -0.366 31.400 31.700 0.111 0.000 0.787 389 A N -0.679 122.228 122.820 0.146 0.000 1.933 389 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 389 A C 2.232 179.894 177.584 0.129 0.000 1.175 389 A CA 1.443 53.555 52.037 0.124 0.000 0.628 389 A CB -1.652 17.436 19.000 0.146 0.000 0.814 389 A HN 0.111 nan 8.150 nan 0.000 0.444 390 L N -0.700 120.637 121.223 0.190 0.000 2.027 390 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 390 L C 2.530 179.570 176.870 0.284 0.000 1.074 390 L CA 1.043 56.050 54.840 0.279 0.000 0.745 390 L CB -0.550 41.661 42.059 0.254 0.000 0.898 390 L HN 0.238 nan 8.230 nan 0.000 0.433 391 V N -0.297 119.729 119.914 0.187 0.000 2.343 391 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 391 V C 2.571 178.731 176.094 0.110 0.000 1.051 391 V CA 1.811 64.199 62.300 0.146 0.000 1.036 391 V CB -0.536 31.348 31.823 0.103 0.000 0.654 391 V HN 0.491 nan 8.190 nan 0.000 0.451 392 E N 0.170 120.418 120.200 0.080 0.000 2.106 392 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 392 E C 2.150 178.738 176.600 -0.020 0.000 0.984 392 E CA 1.447 57.867 56.400 0.033 0.000 0.806 392 E CB -0.058 29.659 29.700 0.029 0.000 0.750 392 E HN 0.622 nan 8.360 nan 0.000 0.458 393 I N -0.518 120.014 120.570 -0.064 0.000 2.233 393 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 393 I C 1.867 177.759 176.117 -0.375 0.000 1.093 393 I CA 0.979 62.102 61.300 -0.295 0.000 1.380 393 I CB -0.153 37.534 38.000 -0.521 0.000 1.067 393 I HN 0.018 nan 8.210 nan 0.000 0.413 394 F N 0.285 120.232 119.950 -0.005 0.000 2.582 394 F HA 0.342 4.869 4.527 -0.000 0.000 0.290 394 F C 1.638 177.440 175.800 0.003 0.000 1.115 394 F CA 0.553 58.549 58.000 -0.007 0.000 1.445 394 F CB -0.598 38.394 39.000 -0.013 0.000 1.126 394 F HN 0.137 nan 8.300 nan 0.000 0.574 395 G N 0.819 109.721 108.800 0.170 0.000 2.645 395 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.246 395 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.246 395 G C 0.313 175.284 174.900 0.119 0.000 1.322 395 G CA 0.216 45.384 45.100 0.114 0.000 0.898 395 G HN 0.168 nan 8.290 nan 0.000 0.573 396 D N 0.563 121.014 120.400 0.086 0.000 2.183 396 D HA 0.055 4.695 4.640 -0.000 0.000 0.203 396 D C 0.956 177.294 176.300 0.063 0.000 0.969 396 D CA 1.211 55.255 54.000 0.073 0.000 0.842 396 D CB -0.146 40.695 40.800 0.068 0.000 0.957 396 D HN 0.370 nan 8.370 nan 0.000 0.484 397 D N 0.828 121.270 120.400 0.070 0.000 2.608 397 D HA 0.452 5.092 4.640 -0.000 0.000 0.224 397 D C -0.345 175.970 176.300 0.026 0.000 1.123 397 D CA 0.150 54.180 54.000 0.049 0.000 1.030 397 D CB 0.075 40.908 40.800 0.057 0.000 1.093 397 D HN 0.028 nan 8.370 nan 0.000 0.497 398 A N 0.280 123.084 122.820 -0.026 0.000 2.608 398 A HA 0.497 4.817 4.320 -0.000 0.000 0.292 398 A C -1.191 176.296 177.584 -0.162 0.000 1.066 398 A CA -0.757 51.199 52.037 -0.135 0.000 0.676 398 A CB 1.400 20.285 19.000 -0.193 0.000 1.277 398 A HN 0.375 nan 8.150 nan 0.000 0.413 399 C N 1.934 121.081 119.300 -0.257 0.000 2.303 399 C HA 0.774 5.234 4.460 -0.000 0.000 0.326 399 C C -0.692 174.148 174.990 -0.250 0.000 1.285 399 C CA -0.539 58.367 59.018 -0.187 0.000 1.675 399 C CB -0.946 26.669 27.740 -0.208 0.000 2.289 399 C HN 0.648 nan 8.230 nan 0.000 0.512 400 L N 6.512 127.647 121.223 -0.147 0.000 2.287 400 L HA 0.525 4.865 4.340 -0.000 0.000 0.287 400 L C -0.140 176.594 176.870 -0.227 0.000 1.022 400 L CA -0.138 54.563 54.840 -0.232 0.000 0.814 400 L CB 1.103 43.139 42.059 -0.037 0.000 1.217 400 L HN 0.622 nan 8.230 nan 0.000 0.420 401 Q N 3.374 122.894 119.800 -0.466 0.000 2.316 401 Q HA 0.556 4.896 4.340 -0.000 0.000 0.264 401 Q C -1.513 174.130 176.000 -0.596 0.000 0.987 401 Q CA -0.485 55.122 55.803 -0.327 0.000 0.852 401 Q CB 2.621 31.247 28.738 -0.186 0.000 1.287 401 Q HN 0.428 nan 8.270 nan 0.000 0.448 402 F N 0.817 120.742 119.950 -0.041 0.000 2.676 402 F HA 0.338 4.865 4.527 -0.000 0.000 0.371 402 F C 0.819 176.599 175.800 -0.033 0.000 1.141 402 F CA -0.655 57.318 58.000 -0.044 0.000 1.133 402 F CB 1.280 40.256 39.000 -0.039 0.000 1.376 402 F HN 0.754 nan 8.300 nan 0.000 0.491 403 G N 1.418 110.261 108.800 0.072 0.000 2.624 403 G HA2 0.055 4.015 3.960 -0.000 0.000 0.216 403 G HA3 0.055 4.015 3.960 -0.000 0.000 0.216 403 G C 1.780 176.729 174.900 0.082 0.000 1.274 403 G CA 0.631 45.767 45.100 0.059 0.000 0.856 403 G HN 0.727 nan 8.290 nan 0.000 0.555 404 G N 0.691 109.531 108.800 0.067 0.000 2.450 404 G HA2 0.041 4.001 3.960 -0.000 0.000 0.220 404 G HA3 0.041 4.001 3.960 -0.000 0.000 0.220 404 G C 1.673 176.614 174.900 0.068 0.000 1.130 404 G CA 1.371 46.527 45.100 0.094 0.000 0.760 404 G HN 0.702 nan 8.290 nan 0.000 0.557 405 G N -0.805 107.974 108.800 -0.034 0.000 2.708 405 G HA2 0.144 4.104 3.960 -0.000 0.000 0.210 405 G HA3 0.144 4.104 3.960 -0.000 0.000 0.210 405 G C 1.426 176.386 174.900 0.099 0.000 1.141 405 G CA 1.571 46.544 45.100 -0.212 0.000 0.788 405 G HN 0.423 nan 8.290 nan 0.000 0.531 406 T N 0.159 114.824 114.554 0.187 0.000 3.182 406 T HA 0.096 4.446 4.350 -0.000 0.000 0.244 406 T C 1.956 176.783 174.700 0.212 0.000 0.981 406 T CA -0.128 62.082 62.100 0.184 0.000 1.182 406 T CB -0.048 68.882 68.868 0.103 0.000 1.043 406 T HN 0.054 nan 8.240 nan 0.000 0.424 407 L N 1.627 122.950 121.223 0.167 0.000 2.551 407 L HA 0.261 4.601 4.340 -0.000 0.000 0.228 407 L C 2.200 179.192 176.870 0.205 0.000 1.153 407 L CA 0.812 55.739 54.840 0.144 0.000 0.851 407 L CB -0.244 41.864 42.059 0.082 0.000 0.959 407 L HN 0.369 nan 8.230 nan 0.000 0.451 408 G N -2.996 106.001 108.800 0.329 0.000 3.126 408 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.224 408 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.224 408 G C 0.477 175.596 174.900 0.365 0.000 1.142 408 G CA -0.294 45.056 45.100 0.417 0.000 0.759 408 G HN 0.270 nan 8.290 nan 0.000 0.550 409 H N 1.971 121.193 119.070 0.254 0.000 2.848 409 H HA 0.104 4.660 4.556 -0.000 0.000 0.341 409 H C -1.115 174.182 175.328 -0.053 0.000 1.060 409 H CA -1.190 54.863 56.048 0.008 0.000 1.444 409 H CB 2.107 31.894 29.762 0.042 0.000 1.446 409 H HN 0.006 nan 8.280 nan 0.000 0.583 410 P HA -0.141 nan 4.420 nan 0.000 0.221 410 P C 0.707 178.222 177.300 0.358 0.000 1.145 410 P CA 1.087 64.157 63.100 -0.050 0.000 0.795 410 P CB 0.079 31.650 31.700 -0.214 0.000 0.775 411 W N 0.267 121.742 121.300 0.292 0.000 3.278 411 W HA 0.489 5.149 4.660 -0.000 0.000 0.308 411 W C 1.158 177.731 176.519 0.090 0.000 1.253 411 W CA 0.506 57.957 57.345 0.177 0.000 1.759 411 W CB -0.690 28.872 29.460 0.171 0.000 1.093 411 W HN 0.059 nan 8.180 nan 0.000 0.648 412 G N 0.819 109.805 108.800 0.310 0.000 2.566 412 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.599 412 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.599 412 G C 0.647 175.588 174.900 0.070 0.000 1.292 412 G CA -0.202 44.988 45.100 0.149 0.000 0.922 412 G HN -0.042 nan 8.290 nan 0.000 0.514 413 N N -0.017 118.696 118.700 0.022 0.000 2.084 413 N HA -0.012 4.728 4.740 -0.000 0.000 0.190 413 N C 2.713 178.173 175.510 -0.082 0.000 1.030 413 N CA 2.590 55.627 53.050 -0.021 0.000 0.849 413 N CB -0.696 37.769 38.487 -0.037 0.000 1.012 413 N HN 1.082 nan 8.380 nan 0.000 0.423 414 A N 1.453 124.212 122.820 -0.101 0.000 1.873 414 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 414 A C -0.182 177.317 177.584 -0.141 0.000 1.186 414 A CA 1.248 53.207 52.037 -0.129 0.000 0.616 414 A CB -1.512 17.405 19.000 -0.137 0.000 0.823 414 A HN 0.215 nan 8.150 nan 0.000 0.442 415 P HA -0.099 nan 4.420 nan 0.000 0.216 415 P C 1.712 178.657 177.300 -0.591 0.000 1.150 415 P CA 1.719 64.658 63.100 -0.269 0.000 0.837 415 P CB -0.325 31.302 31.700 -0.121 0.000 0.786 416 G N 0.069 108.522 108.800 -0.578 0.000 2.418 416 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 416 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 416 G C 1.652 176.453 174.900 -0.165 0.000 1.158 416 G CA 0.960 45.856 45.100 -0.340 0.000 0.771 416 G HN 0.317 nan 8.290 nan 0.000 0.545 417 A N 1.231 123.967 122.820 -0.140 0.000 1.877 417 A HA 0.268 4.588 4.320 -0.000 0.000 0.216 417 A C 2.832 180.343 177.584 -0.122 0.000 1.186 417 A CA 2.324 54.295 52.037 -0.109 0.000 0.620 417 A CB -0.871 18.073 19.000 -0.095 0.000 0.822 417 A HN 0.814 nan 8.150 nan 0.000 0.443 418 A N -0.197 122.544 122.820 -0.132 0.000 1.933 418 A HA 0.162 4.482 4.320 -0.000 0.000 0.218 418 A C 2.487 180.008 177.584 -0.105 0.000 1.175 418 A CA 2.077 54.052 52.037 -0.102 0.000 0.628 418 A CB -0.981 17.965 19.000 -0.090 0.000 0.814 418 A HN 1.039 nan 8.150 nan 0.000 0.444 419 A N 0.530 123.261 122.820 -0.148 0.000 1.865 419 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 419 A C 1.895 179.393 177.584 -0.144 0.000 1.191 419 A CA 1.898 53.862 52.037 -0.121 0.000 0.623 419 A CB -0.946 18.009 19.000 -0.074 0.000 0.826 419 A HN 0.699 nan 8.150 nan 0.000 0.444 420 N N -1.133 117.443 118.700 -0.207 0.000 2.120 420 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 420 N C 1.970 177.353 175.510 -0.211 0.000 1.024 420 N CA 1.478 54.322 53.050 -0.345 0.000 0.852 420 N CB -0.147 38.033 38.487 -0.512 0.000 1.003 420 N HN 0.449 nan 8.380 nan 0.000 0.424 421 R N 1.136 121.560 120.500 -0.127 0.000 2.066 421 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 421 R C 1.786 178.065 176.300 -0.035 0.000 1.131 421 R CA 1.019 57.079 56.100 -0.066 0.000 0.955 421 R CB -0.761 29.510 30.300 -0.050 0.000 0.851 421 R HN 0.007 nan 8.270 nan 0.000 0.432 422 V N 1.015 120.920 119.914 -0.016 0.000 2.287 422 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 422 V C 2.376 178.471 176.094 0.002 0.000 1.053 422 V CA 2.075 64.401 62.300 0.044 0.000 1.027 422 V CB -1.045 30.849 31.823 0.117 0.000 0.646 422 V HN 0.559 nan 8.190 nan 0.000 0.447 423 A N -0.222 122.567 122.820 -0.053 0.000 1.877 423 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 423 A C 2.179 179.736 177.584 -0.044 0.000 1.186 423 A CA 2.217 54.209 52.037 -0.075 0.000 0.620 423 A CB -0.627 18.289 19.000 -0.141 0.000 0.822 423 A HN 0.476 nan 8.150 nan 0.000 0.443 424 L N 0.096 121.294 121.223 -0.041 0.000 2.017 424 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 424 L C 2.193 179.065 176.870 0.002 0.000 1.073 424 L CA 2.527 57.367 54.840 0.000 0.000 0.745 424 L CB -0.659 41.407 42.059 0.013 0.000 0.894 424 L HN 0.517 nan 8.230 nan 0.000 0.432 425 E N -0.384 119.811 120.200 -0.008 0.000 2.106 425 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 425 E C 2.136 178.721 176.600 -0.025 0.000 0.984 425 E CA 1.038 57.431 56.400 -0.011 0.000 0.806 425 E CB -0.270 29.424 29.700 -0.010 0.000 0.750 425 E HN 0.685 nan 8.360 nan 0.000 0.458 426 A N 0.900 123.702 122.820 -0.031 0.000 1.898 426 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 426 A C 2.463 180.030 177.584 -0.029 0.000 1.181 426 A CA 1.130 53.138 52.037 -0.048 0.000 0.620 426 A CB -0.821 18.152 19.000 -0.046 0.000 0.819 426 A HN 0.335 nan 8.150 nan 0.000 0.442 427 C N -0.950 118.344 119.300 -0.010 0.000 2.429 427 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 427 C C 3.060 178.059 174.990 0.014 0.000 1.262 427 C CA 1.560 60.584 59.018 0.010 0.000 1.733 427 C CB -1.504 26.253 27.740 0.029 0.000 2.010 427 C HN 0.654 nan 8.230 nan 0.000 0.483 428 T N 0.111 114.672 114.554 0.013 0.000 2.708 428 T HA -0.269 4.081 4.350 -0.000 0.000 0.266 428 T C 1.862 176.564 174.700 0.004 0.000 1.037 428 T CA 1.709 63.819 62.100 0.016 0.000 1.146 428 T CB -0.428 68.451 68.868 0.019 0.000 0.865 428 T HN 0.653 nan 8.240 nan 0.000 0.435 429 Q N 0.597 120.390 119.800 -0.012 0.000 2.061 429 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 429 Q C 2.538 178.526 176.000 -0.020 0.000 0.984 429 Q CA 1.611 57.400 55.803 -0.024 0.000 0.846 429 Q CB -0.314 28.394 28.738 -0.050 0.000 0.902 429 Q HN 0.552 nan 8.270 nan 0.000 0.421 430 A N 1.282 124.091 122.820 -0.018 0.000 1.902 430 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 430 A C 2.136 179.720 177.584 -0.000 0.000 1.181 430 A CA 1.536 53.566 52.037 -0.011 0.000 0.623 430 A CB -0.718 18.279 19.000 -0.006 0.000 0.818 430 A HN 0.402 nan 8.150 nan 0.000 0.443 431 R N 0.114 120.619 120.500 0.007 0.000 2.083 431 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 431 R C 1.904 178.210 176.300 0.009 0.000 1.137 431 R CA 1.930 58.037 56.100 0.013 0.000 0.951 431 R CB -0.589 29.724 30.300 0.021 0.000 0.851 431 R HN 0.740 nan 8.270 nan 0.000 0.434 432 N N 0.103 118.807 118.700 0.006 0.000 2.205 432 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 432 N C 1.076 176.586 175.510 -0.001 0.000 1.015 432 N CA 1.201 54.253 53.050 0.004 0.000 0.862 432 N CB -0.026 38.462 38.487 0.002 0.000 0.986 432 N HN 0.434 nan 8.380 nan 0.000 0.429 433 E N -0.451 119.746 120.200 -0.005 0.000 2.502 433 E HA 0.046 4.396 4.350 -0.000 0.000 0.194 433 E C 0.949 177.546 176.600 -0.004 0.000 1.062 433 E CA 0.125 56.520 56.400 -0.008 0.000 0.867 433 E CB 0.358 30.049 29.700 -0.015 0.000 0.888 433 E HN 0.468 nan 8.360 nan 0.000 0.510 434 G N 1.777 110.578 108.800 0.000 0.000 2.179 434 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 434 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 434 G C 0.170 175.072 174.900 0.005 0.000 0.990 434 G CA -0.472 44.630 45.100 0.003 0.000 0.646 434 G HN 0.071 nan 8.290 nan 0.000 0.517 435 R N 0.674 121.177 120.500 0.005 0.000 2.543 435 R HA 0.309 4.649 4.340 -0.000 0.000 0.277 435 R C -0.716 175.592 176.300 0.013 0.000 1.074 435 R CA -0.310 55.795 56.100 0.008 0.000 1.076 435 R CB 0.633 30.937 30.300 0.007 0.000 0.993 435 R HN 0.199 nan 8.270 nan 0.000 0.459 436 D N 3.394 123.803 120.400 0.015 0.000 2.411 436 D HA 0.060 4.700 4.640 -0.000 0.000 0.225 436 D C 1.082 177.398 176.300 0.025 0.000 1.156 436 D CA -0.150 53.860 54.000 0.018 0.000 0.874 436 D CB 0.671 41.480 40.800 0.015 0.000 1.034 436 D HN 0.421 nan 8.370 nan 0.000 0.502 437 L N 2.965 124.205 121.223 0.029 0.000 2.191 437 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 437 L C 2.289 179.187 176.870 0.046 0.000 1.103 437 L CA 1.003 55.867 54.840 0.040 0.000 0.769 437 L CB -0.234 41.852 42.059 0.045 0.000 0.908 437 L HN 0.444 nan 8.230 nan 0.000 0.438 438 A N 0.039 122.880 122.820 0.035 0.000 2.015 438 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 438 A C 2.358 179.964 177.584 0.037 0.000 1.163 438 A CA 1.337 53.394 52.037 0.034 0.000 0.646 438 A CB -0.210 18.802 19.000 0.020 0.000 0.806 438 A HN 0.383 nan 8.150 nan 0.000 0.448 439 R N -1.464 119.057 120.500 0.034 0.000 2.287 439 R HA 0.151 4.491 4.340 -0.000 0.000 0.197 439 R C 0.973 177.296 176.300 0.040 0.000 0.900 439 R CA 0.609 56.729 56.100 0.033 0.000 1.052 439 R CB 0.278 30.592 30.300 0.023 0.000 1.117 439 R HN 0.505 nan 8.270 nan 0.000 0.568 440 E N 0.001 120.226 120.200 0.041 0.000 2.498 440 E HA 0.105 4.455 4.350 -0.000 0.000 0.203 440 E C 1.441 178.077 176.600 0.060 0.000 1.013 440 E CA 0.047 56.474 56.400 0.045 0.000 0.927 440 E CB 0.913 30.633 29.700 0.033 0.000 1.012 440 E HN 0.335 nan 8.360 nan 0.000 0.482 441 G N 1.648 110.491 108.800 0.072 0.000 2.491 441 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 441 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 441 G C 1.526 176.501 174.900 0.126 0.000 1.180 441 G CA 0.987 46.142 45.100 0.092 0.000 0.774 441 G HN 0.394 nan 8.290 nan 0.000 0.562 442 G N 0.609 109.504 108.800 0.158 0.000 2.440 442 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 442 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 442 G C 1.500 176.515 174.900 0.191 0.000 1.154 442 G CA 1.390 46.631 45.100 0.235 0.000 0.767 442 G HN 0.355 nan 8.290 nan 0.000 0.552 443 D N 0.152 120.622 120.400 0.118 0.000 2.117 443 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 443 D C 2.819 179.157 176.300 0.063 0.000 0.982 443 D CA 0.765 54.817 54.000 0.086 0.000 0.828 443 D CB -0.431 40.404 40.800 0.058 0.000 0.967 443 D HN 0.215 nan 8.370 nan 0.000 0.464 444 V N 1.620 121.564 119.914 0.050 0.000 2.255 444 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 444 V C 2.506 178.599 176.094 -0.001 0.000 1.051 444 V CA 1.055 63.367 62.300 0.020 0.000 1.018 444 V CB -0.276 31.557 31.823 0.017 0.000 0.641 444 V HN 0.177 nan 8.190 nan 0.000 0.445 445 I N -0.124 120.441 120.570 -0.009 0.000 2.179 445 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 445 I C 2.682 178.722 176.117 -0.129 0.000 1.088 445 I CA 1.655 62.877 61.300 -0.130 0.000 1.357 445 I CB -1.182 36.658 38.000 -0.266 0.000 1.051 445 I HN 0.314 nan 8.210 nan 0.000 0.409 446 R N 0.244 120.750 120.500 0.010 0.000 2.081 446 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 446 R C 2.488 178.819 176.300 0.051 0.000 1.131 446 R CA 1.676 57.820 56.100 0.073 0.000 0.960 446 R CB -0.242 30.158 30.300 0.166 0.000 0.856 446 R HN 0.278 nan 8.270 nan 0.000 0.436 447 S N 0.457 116.184 115.700 0.046 0.000 2.382 447 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 447 S C 1.987 176.634 174.600 0.078 0.000 1.027 447 S CA 1.237 59.468 58.200 0.052 0.000 0.991 447 S CB -0.080 63.135 63.200 0.026 0.000 0.823 447 S HN 0.481 nan 8.310 nan 0.000 0.469 448 A N 0.713 123.562 122.820 0.049 0.000 1.897 448 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 448 A C 2.387 180.040 177.584 0.115 0.000 1.181 448 A CA 1.440 53.540 52.037 0.106 0.000 0.620 448 A CB -1.199 17.822 19.000 0.034 0.000 0.821 448 A HN 0.661 nan 8.150 nan 0.000 0.443 449 c N -0.208 118.389 118.600 -0.005 0.000 2.425 449 c HA -0.064 4.506 4.570 -0.000 0.000 0.277 449 c C 2.541 176.643 174.090 0.020 0.000 1.280 449 c CA 1.048 57.354 56.329 -0.038 0.000 1.744 449 c CB -1.198 41.251 42.510 -0.103 0.000 1.989 449 c HN 0.577 nan 8.230 nan 0.000 0.491 450 K N -0.572 119.868 120.400 0.066 0.000 2.147 450 K HA -0.196 4.124 4.320 -0.000 0.000 0.205 450 K C 1.840 178.513 176.600 0.122 0.000 1.049 450 K CA 1.779 58.116 56.287 0.084 0.000 0.936 450 K CB -0.186 32.370 32.500 0.094 0.000 0.722 450 K HN 0.754 nan 8.250 nan 0.000 0.446 451 W N 1.070 122.360 121.300 -0.016 0.000 2.494 451 W HA 0.071 4.731 4.660 -0.000 0.000 0.286 451 W C 0.542 177.057 176.519 -0.006 0.000 1.218 451 W CA 0.465 57.804 57.345 -0.010 0.000 1.313 451 W CB 0.316 29.768 29.460 -0.014 0.000 1.105 451 W HN -0.252 nan 8.180 nan 0.000 0.561 452 S N 0.873 116.472 115.700 -0.168 0.000 2.438 452 S HA 0.306 4.775 4.470 -0.000 0.000 0.316 452 S C -1.590 172.894 174.600 -0.194 0.000 1.084 452 S CA -1.582 56.393 58.200 -0.375 0.000 1.107 452 S CB 1.334 64.439 63.200 -0.159 0.000 0.981 452 S HN -0.149 nan 8.310 nan 0.000 0.466 453 P HA -0.051 nan 4.420 nan 0.000 0.217 453 P C 0.896 178.112 177.300 -0.141 0.000 1.150 453 P CA 1.000 64.091 63.100 -0.014 0.000 0.832 453 P CB 0.213 32.011 31.700 0.164 0.000 0.787 454 E N -0.580 119.547 120.200 -0.121 0.000 2.051 454 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 454 E C 1.851 178.330 176.600 -0.202 0.000 0.991 454 E CA 0.836 57.092 56.400 -0.241 0.000 0.799 454 E CB -1.292 28.337 29.700 -0.120 0.000 0.748 454 E HN 0.083 nan 8.360 nan 0.000 0.449 455 L N 0.440 121.574 121.223 -0.148 0.000 2.083 455 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 455 L C 2.002 178.765 176.870 -0.179 0.000 1.083 455 L CA 1.993 56.754 54.840 -0.132 0.000 0.752 455 L CB -0.905 41.096 42.059 -0.096 0.000 0.899 455 L HN 0.120 nan 8.230 nan 0.000 0.433 456 A N -0.488 122.224 122.820 -0.180 0.000 1.902 456 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 456 A C 2.465 179.903 177.584 -0.243 0.000 1.181 456 A CA 1.813 53.754 52.037 -0.161 0.000 0.623 456 A CB -1.136 17.804 19.000 -0.100 0.000 0.818 456 A HN 0.556 nan 8.150 nan 0.000 0.443 457 A N -0.187 122.375 122.820 -0.429 0.000 1.902 457 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 457 A C 2.495 179.668 177.584 -0.686 0.000 1.181 457 A CA 2.136 53.774 52.037 -0.665 0.000 0.623 457 A CB -0.966 17.232 19.000 -1.336 0.000 0.818 457 A HN 1.028 nan 8.150 nan 0.000 0.443 458 A N -0.807 121.697 122.820 -0.527 0.000 1.873 458 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 458 A C 2.315 179.809 177.584 -0.149 0.000 1.186 458 A CA 1.619 53.448 52.037 -0.346 0.000 0.616 458 A CB -1.359 17.687 19.000 0.077 0.000 0.823 458 A HN 0.617 nan 8.150 nan 0.000 0.442 459 c N -0.653 117.872 118.600 -0.125 0.000 2.401 459 c HA -0.121 4.449 4.570 -0.000 0.000 0.276 459 c C 2.689 176.945 174.090 0.276 0.000 1.233 459 c CA 1.264 57.621 56.329 0.046 0.000 1.753 459 c CB -1.126 41.308 42.510 -0.126 0.000 2.029 459 c HN 0.660 nan 8.230 nan 0.000 0.478 460 E N 0.769 120.969 120.200 0.001 0.000 2.072 460 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 460 E C 2.238 178.750 176.600 -0.147 0.000 0.985 460 E CA 1.256 57.628 56.400 -0.047 0.000 0.801 460 E CB -0.147 29.482 29.700 -0.118 0.000 0.750 460 E HN 0.481 nan 8.360 nan 0.000 0.452 461 V N -0.059 119.638 119.914 -0.361 0.000 2.343 461 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 461 V C 1.631 177.446 176.094 -0.464 0.000 1.051 461 V CA 1.380 63.329 62.300 -0.585 0.000 1.036 461 V CB -0.356 30.786 31.823 -1.135 0.000 0.654 461 V HN 0.379 nan 8.190 nan 0.000 0.451 462 W N -0.305 120.929 121.300 -0.110 0.000 3.123 462 W HA 0.329 4.989 4.660 -0.000 0.000 0.383 462 W C 1.871 178.257 176.519 -0.222 0.000 1.102 462 W CA -0.844 56.340 57.345 -0.268 0.000 1.865 462 W CB -0.303 28.792 29.460 -0.609 0.000 1.111 462 W HN 0.273 nan 8.180 nan 0.000 0.621 463 K N 1.244 121.675 120.400 0.052 0.000 2.044 463 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 463 K C 1.266 177.653 176.600 -0.355 0.000 1.049 463 K CA 1.613 57.737 56.287 -0.271 0.000 0.927 463 K CB 0.265 32.665 32.500 -0.168 0.000 0.713 463 K HN -0.102 nan 8.250 nan 0.000 0.443 464 E N 0.407 120.497 120.200 -0.184 0.000 2.479 464 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 464 E C -0.020 176.508 176.600 -0.119 0.000 1.049 464 E CA 0.123 56.426 56.400 -0.161 0.000 0.870 464 E CB 0.344 29.972 29.700 -0.120 0.000 0.944 464 E HN 0.248 nan 8.360 nan 0.000 0.492 465 I N 2.161 122.688 120.570 -0.072 0.000 2.322 465 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 465 I C 0.386 176.498 176.117 -0.008 0.000 1.060 465 I CA -0.026 61.240 61.300 -0.056 0.000 1.309 465 I CB 0.044 38.061 38.000 0.027 0.000 1.415 465 I HN -0.268 nan 8.210 nan 0.000 0.492 466 K N 5.662 125.937 120.400 -0.208 0.000 2.443 466 K HA 0.637 4.957 4.320 -0.000 0.000 0.251 466 K C -1.393 174.967 176.600 -0.399 0.000 0.972 466 K CA -0.589 55.624 56.287 -0.124 0.000 0.833 466 K CB 2.480 34.950 32.500 -0.049 0.000 1.317 466 K HN 0.153 nan 8.250 nan 0.000 0.441 467 F N 1.489 121.531 119.950 0.154 0.000 2.532 467 F HA 0.303 4.830 4.527 -0.000 0.000 0.365 467 F C -0.499 175.365 175.800 0.107 0.000 1.112 467 F CA -0.539 57.566 58.000 0.176 0.000 1.082 467 F CB 1.495 40.635 39.000 0.234 0.000 1.319 467 F HN 0.304 nan 8.300 nan 0.000 0.457 468 E N 3.697 123.883 120.200 -0.024 0.000 2.279 468 E HA 0.550 4.900 4.350 -0.000 0.000 0.252 468 E C -1.301 175.088 176.600 -0.352 0.000 0.894 468 E CA -0.449 55.906 56.400 -0.076 0.000 0.785 468 E CB 1.810 31.456 29.700 -0.091 0.000 1.237 468 E HN 0.322 nan 8.360 nan 0.000 0.418 469 F N 0.347 120.345 119.950 0.080 0.000 2.629 469 F HA 0.223 4.750 4.527 -0.000 0.000 0.316 469 F C 0.124 175.954 175.800 0.051 0.000 1.081 469 F CA -1.185 56.853 58.000 0.064 0.000 0.954 469 F CB 1.373 40.416 39.000 0.072 0.000 1.337 469 F HN 0.240 nan 8.300 nan 0.000 0.474 470 D N 0.821 121.374 120.400 0.255 0.000 2.458 470 D HA 0.126 4.766 4.640 -0.000 0.000 0.243 470 D C -0.493 175.892 176.300 0.140 0.000 1.146 470 D CA 0.515 54.607 54.000 0.153 0.000 0.877 470 D CB 0.762 41.635 40.800 0.120 0.000 1.176 470 D HN 0.402 nan 8.370 nan 0.000 0.461 471 T N 5.799 120.417 114.554 0.107 0.000 2.794 471 T HA 0.128 4.478 4.350 -0.000 0.000 0.296 471 T C 1.433 176.180 174.700 0.077 0.000 0.949 471 T CA -0.753 61.402 62.100 0.093 0.000 1.101 471 T CB 0.783 69.703 68.868 0.086 0.000 0.905 471 T HN 0.287 nan 8.240 nan 0.000 0.516 472 I N 1.838 122.449 120.570 0.067 0.000 2.270 472 I HA 0.012 4.182 4.170 -0.000 0.000 0.239 472 I C 1.501 177.664 176.117 0.076 0.000 1.080 472 I CA 0.943 62.279 61.300 0.060 0.000 1.383 472 I CB -0.715 37.309 38.000 0.039 0.000 1.097 472 I HN 0.576 nan 8.210 nan 0.000 0.420 473 D N 2.837 123.290 120.400 0.087 0.000 2.671 473 D HA 0.037 4.677 4.640 -0.000 0.000 0.228 473 D C 0.125 176.515 176.300 0.150 0.000 1.102 473 D CA 0.138 54.215 54.000 0.127 0.000 1.044 473 D CB -0.289 40.588 40.800 0.128 0.000 1.113 473 D HN 0.103 nan 8.370 nan 0.000 0.480 474 K N 1.266 121.738 120.400 0.119 0.000 2.154 474 K HA 0.276 4.596 4.320 -0.000 0.000 0.264 474 K C 0.717 177.386 176.600 0.115 0.000 1.008 474 K CA -0.788 55.562 56.287 0.104 0.000 0.937 474 K CB 1.424 33.969 32.500 0.074 0.000 1.002 474 K HN 0.255 nan 8.250 nan 0.000 0.469 475 L N 0.000 121.278 121.223 0.092 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.886 54.840 0.077 0.000 0.813 475 L CB 0.000 42.078 42.059 0.032 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502