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 1rbl_1_F DATA FIRST_RESID 9 DATA SEQUENCE SAAGYKAGVK DYKLTYYTPD YTPKDTDLLA AFRFSPQPGV PADEAGAAIA DATA SEQUENCE AESSTGTWTT VWTDLLTDMD RYKGKCYHIE PVAGEENSYF AFIAYPLDLF DATA SEQUENCE EEGSVTNILT SIVGNVFGFK AIRSLRLEDI RFPVALVKTF QGPPHGIQVE DATA SEQUENCE RDLLNKYGRP MLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENINS DATA SEQUENCE QPFQRWRDRF LFVADAIHKS QAETGEIKGH YLNVTAPTCE EMMKRAEFAK DATA SEQUENCE ELGMPIIMHD FLTAGFTANT TLAKWCRDNG VLLHIHRAMH AVIDRQRNHG DATA SEQUENCE IHFRVLAKCL RLSGGDHLHS GTVVGKLEGD KASTLGFVDL MREDHIEADR DATA SEQUENCE SRGVFFTQDW ASMPGVLPVA SGGIHVWHMP ALVEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAT ANRVALEACV QARNEGRDLY REGGDILREA GKWSPELAAA DATA SEQUENCE LDLWKEIKFE FETMDKL 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 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.611 174.600 0.018 0.000 1.055 9 S CA 0.000 58.208 58.200 0.013 0.000 1.107 9 S CB 0.000 63.209 63.200 0.016 0.000 0.593 10 A N 0.444 123.280 122.820 0.027 0.000 2.515 10 A HA 0.610 4.930 4.320 0.001 0.000 0.263 10 A C 0.977 178.587 177.584 0.044 0.000 1.096 10 A CA 0.160 52.220 52.037 0.039 0.000 0.769 10 A CB -0.732 18.299 19.000 0.052 0.000 1.040 10 A HN 1.866 nan 8.150 nan 0.000 0.505 11 A N 3.134 125.981 122.820 0.045 0.000 2.476 11 A HA 0.530 4.851 4.320 0.001 0.000 0.263 11 A C 1.186 178.800 177.584 0.050 0.000 1.342 11 A CA 0.578 52.637 52.037 0.037 0.000 0.926 11 A CB -1.206 17.809 19.000 0.024 0.000 1.019 11 A HN 2.747 nan 8.150 nan 0.000 0.515 12 G N -1.148 107.696 108.800 0.073 0.000 2.879 12 G HA2 -0.102 3.858 3.960 0.001 0.000 0.686 12 G HA3 -0.102 3.858 3.960 0.001 0.000 0.686 12 G C -0.620 174.375 174.900 0.158 0.000 1.115 12 G CA -0.254 44.901 45.100 0.092 0.000 0.770 12 G HN 1.205 nan 8.290 nan 0.000 0.601 13 Y N 2.995 123.317 120.300 0.037 0.000 2.425 13 Y HA 0.596 5.146 4.550 0.001 0.000 0.347 13 Y C 0.583 176.498 175.900 0.025 0.000 0.976 13 Y CA -1.357 56.774 58.100 0.052 0.000 1.190 13 Y CB 0.751 39.269 38.460 0.097 0.000 1.136 13 Y HN 0.622 nan 8.280 nan 0.000 0.517 14 K N 5.309 125.578 120.400 -0.218 0.000 2.367 14 K HA 0.799 5.120 4.320 0.001 0.000 0.263 14 K C -0.500 175.788 176.600 -0.519 0.000 1.000 14 K CA -0.677 55.389 56.287 -0.369 0.000 0.891 14 K CB 1.265 33.671 32.500 -0.157 0.000 1.117 14 K HN 0.586 nan 8.250 nan 0.000 0.443 15 A N 2.781 125.126 122.820 -0.792 0.000 2.406 15 A HA 0.670 4.990 4.320 0.001 0.000 0.243 15 A C 0.710 178.159 177.584 -0.226 0.000 1.082 15 A CA 0.655 52.394 52.037 -0.497 0.000 0.786 15 A CB -0.309 18.460 19.000 -0.384 0.000 1.029 15 A HN 1.207 nan 8.150 nan 0.000 0.495 16 G N -1.362 107.347 108.800 -0.151 0.000 2.357 16 G HA2 0.330 4.291 3.960 0.001 0.000 0.643 16 G HA3 0.330 4.291 3.960 0.001 0.000 0.643 16 G C -0.941 173.883 174.900 -0.128 0.000 1.358 16 G CA -0.456 44.573 45.100 -0.119 0.000 0.986 16 G HN 1.438 nan 8.290 nan 0.000 0.620 17 V N 1.570 121.430 119.914 -0.091 0.000 2.488 17 V HA 0.440 4.560 4.120 0.001 0.000 0.277 17 V C 0.705 176.754 176.094 -0.074 0.000 1.046 17 V CA 0.114 62.363 62.300 -0.086 0.000 0.986 17 V CB 1.001 32.833 31.823 0.015 0.000 0.989 17 V HN 0.685 nan 8.190 nan 0.000 0.475 18 K N 2.474 122.810 120.400 -0.106 0.000 2.238 18 K HA 0.449 4.769 4.320 0.001 0.000 0.239 18 K C -0.952 175.575 176.600 -0.122 0.000 0.987 18 K CA -1.087 55.151 56.287 -0.082 0.000 0.857 18 K CB 1.367 33.832 32.500 -0.058 0.000 1.154 18 K HN 0.524 nan 8.250 nan 0.000 0.439 19 D N 1.050 121.416 120.400 -0.056 0.000 2.455 19 D HA -0.028 4.613 4.640 0.001 0.000 0.241 19 D C 0.834 177.149 176.300 0.025 0.000 1.138 19 D CA 0.504 54.491 54.000 -0.022 0.000 0.877 19 D CB 0.361 41.181 40.800 0.035 0.000 1.187 19 D HN 0.417 nan 8.370 nan 0.000 0.451 20 Y N 1.441 121.794 120.300 0.089 0.000 2.224 20 Y HA -0.222 4.328 4.550 0.001 0.000 0.289 20 Y C 2.299 178.311 175.900 0.186 0.000 1.146 20 Y CA 1.312 59.501 58.100 0.148 0.000 1.182 20 Y CB -0.272 38.208 38.460 0.034 0.000 0.983 20 Y HN 0.460 nan 8.280 nan 0.000 0.524 21 K N 0.285 120.844 120.400 0.264 0.000 2.442 21 K HA -0.076 4.245 4.320 0.001 0.000 0.198 21 K C 1.479 178.198 176.600 0.199 0.000 1.042 21 K CA 1.228 57.649 56.287 0.224 0.000 0.958 21 K CB -0.527 32.041 32.500 0.114 0.000 0.766 21 K HN 0.327 nan 8.250 nan 0.000 0.474 22 L N 1.058 122.364 121.223 0.137 0.000 2.141 22 L HA -0.085 4.255 4.340 0.001 0.000 0.209 22 L C 1.597 178.481 176.870 0.023 0.000 1.094 22 L CA 1.334 56.218 54.840 0.074 0.000 0.763 22 L CB -0.375 41.708 42.059 0.041 0.000 0.908 22 L HN 0.357 nan 8.230 nan 0.000 0.437 23 T N -2.954 111.604 114.554 0.006 0.000 3.018 23 T HA 0.029 4.379 4.350 0.001 0.000 0.246 23 T C 1.078 175.568 174.700 -0.351 0.000 1.026 23 T CA 0.419 62.376 62.100 -0.239 0.000 1.081 23 T CB 0.101 68.703 68.868 -0.443 0.000 0.970 23 T HN 0.138 nan 8.240 nan 0.000 0.475 24 Y N -0.528 119.812 120.300 0.067 0.000 2.445 24 Y HA 0.412 4.962 4.550 0.001 0.000 0.247 24 Y C 0.036 175.983 175.900 0.078 0.000 1.129 24 Y CA -1.284 56.835 58.100 0.032 0.000 1.251 24 Y CB 0.492 38.959 38.460 0.011 0.000 1.176 24 Y HN 0.157 nan 8.280 nan 0.000 0.522 25 Y N 2.307 122.662 120.300 0.091 0.000 2.404 25 Y HA 0.403 4.954 4.550 0.001 0.000 0.344 25 Y C 0.078 176.014 175.900 0.060 0.000 0.970 25 Y CA -1.369 56.769 58.100 0.063 0.000 1.180 25 Y CB 0.640 39.130 38.460 0.052 0.000 1.138 25 Y HN 0.043 nan 8.280 nan 0.000 0.510 26 T N 5.631 120.016 114.554 -0.283 0.000 3.504 26 T HA 0.257 4.607 4.350 0.001 0.000 0.286 26 T C -2.282 172.315 174.700 -0.173 0.000 1.530 26 T CA -1.646 60.334 62.100 -0.200 0.000 1.652 26 T CB 0.899 69.731 68.868 -0.059 0.000 0.895 26 T HN 0.464 nan 8.240 nan 0.000 0.674 27 P HA 0.032 nan 4.420 nan 0.000 0.228 27 P C 0.200 177.511 177.300 0.018 0.000 1.151 27 P CA 0.776 63.757 63.100 -0.198 0.000 0.770 27 P CB 0.196 31.719 31.700 -0.294 0.000 0.786 28 D N -2.104 118.300 120.400 0.006 0.000 2.340 28 D HA 0.030 4.670 4.640 0.001 0.000 0.217 28 D C 0.132 176.471 176.300 0.065 0.000 1.081 28 D CA -0.224 53.796 54.000 0.034 0.000 0.842 28 D CB -0.628 40.177 40.800 0.009 0.000 0.934 28 D HN 0.144 nan 8.370 nan 0.000 0.511 29 Y N 1.249 121.542 120.300 -0.013 0.000 2.377 29 Y HA 0.258 4.809 4.550 0.001 0.000 0.330 29 Y C -0.056 175.784 175.900 -0.101 0.000 1.108 29 Y CA -0.138 57.935 58.100 -0.045 0.000 1.308 29 Y CB 0.717 39.162 38.460 -0.025 0.000 1.216 29 Y HN -0.285 nan 8.280 nan 0.000 0.518 30 T N 9.404 123.466 114.554 -0.820 0.000 2.756 30 T HA 0.318 4.668 4.350 0.001 0.000 0.290 30 T C -2.611 171.427 174.700 -1.102 0.000 0.985 30 T CA -1.422 60.239 62.100 -0.733 0.000 0.955 30 T CB 0.944 69.567 68.868 -0.409 0.000 0.930 30 T HN 0.458 nan 8.240 nan 0.000 0.451 31 P HA 0.158 nan 4.420 nan 0.000 0.265 31 P C 0.004 177.107 177.300 -0.329 0.000 1.193 31 P CA -0.245 62.532 63.100 -0.539 0.000 0.765 31 P CB 0.592 32.034 31.700 -0.430 0.000 0.823 32 K N 1.875 122.175 120.400 -0.167 0.000 2.107 32 K HA 0.122 4.442 4.320 0.001 0.000 0.251 32 K C 0.685 177.247 176.600 -0.064 0.000 1.012 32 K CA -0.458 55.772 56.287 -0.095 0.000 0.920 32 K CB 0.425 32.910 32.500 -0.024 0.000 1.033 32 K HN 0.363 nan 8.250 nan 0.000 0.478 33 D N 0.597 120.967 120.400 -0.050 0.000 2.348 33 D HA -0.085 4.556 4.640 0.001 0.000 0.216 33 D C 1.389 177.677 176.300 -0.020 0.000 0.970 33 D CA 1.161 55.138 54.000 -0.039 0.000 0.889 33 D CB 0.091 40.873 40.800 -0.030 0.000 0.912 33 D HN 0.642 nan 8.370 nan 0.000 0.524 34 T N -2.496 112.059 114.554 0.001 0.000 3.081 34 T HA 0.029 4.379 4.350 0.001 0.000 0.250 34 T C 0.573 175.307 174.700 0.057 0.000 1.100 34 T CA -0.436 61.682 62.100 0.030 0.000 1.038 34 T CB 0.367 69.260 68.868 0.041 0.000 0.962 34 T HN -0.234 nan 8.240 nan 0.000 0.516 35 D N 2.154 122.583 120.400 0.048 0.000 2.382 35 D HA 0.208 4.849 4.640 0.001 0.000 0.245 35 D C -0.173 176.149 176.300 0.037 0.000 1.120 35 D CA -0.499 53.556 54.000 0.092 0.000 0.890 35 D CB 0.819 41.676 40.800 0.095 0.000 1.201 35 D HN 0.122 nan 8.370 nan 0.000 0.433 36 L N 3.602 124.883 121.223 0.098 0.000 2.290 36 L HA 0.334 4.674 4.340 0.001 0.000 0.284 36 L C -0.971 175.907 176.870 0.015 0.000 1.078 36 L CA -0.224 54.570 54.840 -0.077 0.000 0.815 36 L CB -0.001 41.933 42.059 -0.208 0.000 1.162 36 L HN 0.285 nan 8.230 nan 0.000 0.435 37 L N 5.099 126.178 121.223 -0.241 0.000 2.325 37 L HA 0.795 5.135 4.340 0.001 0.000 0.278 37 L C -0.029 176.669 176.870 -0.287 0.000 1.023 37 L CA -0.625 54.081 54.840 -0.224 0.000 0.811 37 L CB 1.619 43.300 42.059 -0.629 0.000 1.249 37 L HN 0.762 nan 8.230 nan 0.000 0.431 38 A N 1.987 124.868 122.820 0.102 0.000 2.393 38 A HA 0.874 5.194 4.320 0.001 0.000 0.306 38 A C -0.795 176.880 177.584 0.153 0.000 1.050 38 A CA -0.540 51.525 52.037 0.047 0.000 0.724 38 A CB 1.768 20.769 19.000 0.001 0.000 1.248 38 A HN 0.748 nan 8.150 nan 0.000 0.424 39 A N 1.810 124.580 122.820 -0.084 0.000 2.273 39 A HA 0.752 5.073 4.320 0.001 0.000 0.315 39 A C -1.066 176.212 177.584 -0.510 0.000 1.256 39 A CA -0.274 51.478 52.037 -0.476 0.000 0.851 39 A CB -0.080 18.356 19.000 -0.940 0.000 1.172 39 A HN 0.632 nan 8.150 nan 0.000 0.508 40 F N 1.336 121.157 119.950 -0.216 0.000 2.450 40 F HA 0.579 5.106 4.527 0.001 0.000 0.332 40 F C 0.835 176.697 175.800 0.104 0.000 1.093 40 F CA -0.451 57.512 58.000 -0.060 0.000 1.003 40 F CB 1.718 40.683 39.000 -0.060 0.000 1.151 40 F HN 0.535 nan 8.300 nan 0.000 0.474 41 R N 4.085 124.770 120.500 0.309 0.000 2.295 41 R HA 0.517 4.857 4.340 0.001 0.000 0.324 41 R C -1.758 174.645 176.300 0.170 0.000 0.968 41 R CA -0.401 55.794 56.100 0.158 0.000 0.837 41 R CB 0.841 31.211 30.300 0.116 0.000 1.133 41 R HN 0.681 nan 8.270 nan 0.000 0.450 42 F N -0.113 119.815 119.950 -0.036 0.000 2.613 42 F HA 0.601 5.128 4.527 0.001 0.000 0.314 42 F C -1.322 174.495 175.800 0.029 0.000 1.075 42 F CA -0.955 57.027 58.000 -0.030 0.000 0.945 42 F CB 1.925 40.868 39.000 -0.094 0.000 1.310 42 F HN 0.138 nan 8.300 nan 0.000 0.467 43 S N 3.387 119.185 115.700 0.163 0.000 2.596 43 S HA 0.533 5.004 4.470 0.001 0.000 0.318 43 S C -2.852 171.889 174.600 0.234 0.000 1.097 43 S CA -1.240 57.031 58.200 0.118 0.000 1.080 43 S CB 1.597 64.829 63.200 0.053 0.000 0.991 43 S HN 0.506 nan 8.310 nan 0.000 0.471 44 P HA 0.132 nan 4.420 nan 0.000 0.274 44 P C -0.641 176.728 177.300 0.115 0.000 1.231 44 P CA -0.579 62.639 63.100 0.195 0.000 0.790 44 P CB 0.523 32.326 31.700 0.172 0.000 0.951 45 Q N 1.943 121.794 119.800 0.084 0.000 2.395 45 Q HA 0.121 4.461 4.340 0.001 0.000 0.271 45 Q C -1.793 174.237 176.000 0.051 0.000 1.026 45 Q CA -1.196 54.642 55.803 0.058 0.000 0.900 45 Q CB -0.661 28.105 28.738 0.046 0.000 1.266 45 Q HN 0.381 nan 8.270 nan 0.000 0.430 46 P HA -0.101 nan 4.420 nan 0.000 0.260 46 P C 0.578 177.895 177.300 0.028 0.000 1.172 46 P CA 1.180 64.300 63.100 0.032 0.000 0.760 46 P CB 0.185 31.900 31.700 0.024 0.000 0.773 47 G N 1.769 110.585 108.800 0.027 0.000 2.213 47 G HA2 -0.197 3.763 3.960 0.001 0.000 0.236 47 G HA3 -0.197 3.763 3.960 0.001 0.000 0.236 47 G C -0.122 174.791 174.900 0.020 0.000 0.991 47 G CA -0.153 44.959 45.100 0.021 0.000 0.629 47 G HN 0.536 nan 8.290 nan 0.000 0.517 48 V N 3.957 123.886 119.914 0.025 0.000 2.348 48 V HA 0.472 4.592 4.120 0.001 0.000 0.270 48 V C -1.274 174.817 176.094 -0.005 0.000 1.037 48 V CA -1.440 60.871 62.300 0.019 0.000 0.872 48 V CB 1.332 33.176 31.823 0.035 0.000 1.002 48 V HN 0.268 nan 8.190 nan 0.000 0.464 49 P HA 0.141 nan 4.420 nan 0.000 0.269 49 P C 0.680 177.896 177.300 -0.141 0.000 1.209 49 P CA -0.111 62.941 63.100 -0.080 0.000 0.776 49 P CB 1.261 32.916 31.700 -0.075 0.000 0.876 50 A N 3.280 125.945 122.820 -0.257 0.000 1.940 50 A HA -0.220 4.100 4.320 0.001 0.000 0.219 50 A C 1.681 179.110 177.584 -0.258 0.000 1.176 50 A CA 2.095 53.920 52.037 -0.353 0.000 0.631 50 A CB -1.172 17.245 19.000 -0.973 0.000 0.814 50 A HN 0.650 nan 8.150 nan 0.000 0.446 51 D N -0.296 119.889 120.400 -0.358 0.000 2.224 51 D HA -0.144 4.496 4.640 0.001 0.000 0.205 51 D C 1.611 177.660 176.300 -0.418 0.000 0.965 51 D CA 1.425 55.071 54.000 -0.589 0.000 0.852 51 D CB -0.530 39.708 40.800 -0.938 0.000 0.947 51 D HN 0.494 nan 8.370 nan 0.000 0.494 52 E N 1.111 121.166 120.200 -0.242 0.000 2.072 52 E HA 0.029 4.380 4.350 0.001 0.000 0.190 52 E C 2.044 178.540 176.600 -0.173 0.000 0.982 52 E CA 1.495 57.825 56.400 -0.118 0.000 0.803 52 E CB -0.488 29.193 29.700 -0.032 0.000 0.755 52 E HN 0.231 nan 8.360 nan 0.000 0.453 53 A N 0.319 122.996 122.820 -0.238 0.000 1.902 53 A HA -0.023 4.298 4.320 0.001 0.000 0.217 53 A C 2.466 179.633 177.584 -0.695 0.000 1.181 53 A CA 1.736 53.535 52.037 -0.396 0.000 0.623 53 A CB -1.358 17.460 19.000 -0.302 0.000 0.818 53 A HN 0.412 nan 8.150 nan 0.000 0.443 54 G N -0.597 107.800 108.800 -0.672 0.000 2.422 54 G HA2 0.025 3.986 3.960 0.001 0.000 0.218 54 G HA3 0.025 3.986 3.960 0.001 0.000 0.218 54 G C 1.706 176.361 174.900 -0.409 0.000 1.146 54 G CA 1.371 46.101 45.100 -0.616 0.000 0.769 54 G HN 0.789 nan 8.290 nan 0.000 0.547 55 A N 1.073 123.728 122.820 -0.275 0.000 1.930 55 A HA 0.340 4.660 4.320 0.001 0.000 0.217 55 A C 2.781 180.116 177.584 -0.414 0.000 1.175 55 A CA 2.033 53.987 52.037 -0.138 0.000 0.627 55 A CB -0.650 18.391 19.000 0.068 0.000 0.815 55 A HN 0.715 nan 8.150 nan 0.000 0.443 56 A N 0.032 122.471 122.820 -0.635 0.000 1.933 56 A HA -0.059 4.262 4.320 0.001 0.000 0.218 56 A C 2.090 178.994 177.584 -1.133 0.000 1.175 56 A CA 1.461 52.752 52.037 -1.243 0.000 0.628 56 A CB -0.573 17.826 19.000 -1.001 0.000 0.814 56 A HN 0.496 nan 8.150 nan 0.000 0.444 57 I N -0.242 119.793 120.570 -0.892 0.000 2.179 57 I HA -0.274 3.896 4.170 0.001 0.000 0.242 57 I C 2.979 178.731 176.117 -0.608 0.000 1.088 57 I CA 1.097 61.896 61.300 -0.834 0.000 1.357 57 I CB -0.363 37.068 38.000 -0.948 0.000 1.051 57 I HN 0.346 nan 8.210 nan 0.000 0.409 58 A N 0.722 123.245 122.820 -0.495 0.000 1.902 58 A HA -0.165 4.155 4.320 0.001 0.000 0.217 58 A C 2.527 179.833 177.584 -0.463 0.000 1.181 58 A CA 1.933 53.763 52.037 -0.345 0.000 0.623 58 A CB -0.833 18.044 19.000 -0.204 0.000 0.818 58 A HN 0.440 nan 8.150 nan 0.000 0.443 59 A N -0.424 121.900 122.820 -0.828 0.000 1.855 59 A HA -0.116 4.205 4.320 0.001 0.000 0.215 59 A C 1.815 179.032 177.584 -0.611 0.000 1.191 59 A CA 1.488 52.778 52.037 -1.244 0.000 0.613 59 A CB -0.391 17.832 19.000 -1.295 0.000 0.829 59 A HN 0.455 nan 8.150 nan 0.000 0.442 60 E N 0.401 120.264 120.200 -0.562 0.000 2.502 60 E HA -0.013 4.337 4.350 0.001 0.000 0.194 60 E C 1.206 177.704 176.600 -0.169 0.000 1.062 60 E CA 0.809 57.021 56.400 -0.314 0.000 0.867 60 E CB -0.034 29.416 29.700 -0.416 0.000 0.888 60 E HN 0.706 nan 8.360 nan 0.000 0.510 61 S N -1.105 114.513 115.700 -0.136 0.000 2.578 61 S HA 0.131 4.602 4.470 0.001 0.000 0.231 61 S C 1.409 176.101 174.600 0.155 0.000 0.994 61 S CA 0.194 58.422 58.200 0.046 0.000 0.956 61 S CB 0.358 63.643 63.200 0.142 0.000 0.870 61 S HN 0.138 nan 8.310 nan 0.000 0.494 62 S N 1.583 117.326 115.700 0.071 0.000 3.889 62 S HA 0.176 4.646 4.470 0.001 0.000 0.185 62 S C 1.376 176.001 174.600 0.042 0.000 0.937 62 S CA 0.608 58.873 58.200 0.109 0.000 0.985 62 S CB -0.245 63.057 63.200 0.170 0.000 1.299 62 S HN 0.518 nan 8.310 nan 0.000 0.673 63 T N -1.086 113.498 114.554 0.050 0.000 2.986 63 T HA 0.480 4.831 4.350 0.001 0.000 0.264 63 T C 0.778 175.526 174.700 0.080 0.000 0.964 63 T CA 0.355 62.502 62.100 0.078 0.000 0.895 63 T CB 0.181 69.149 68.868 0.166 0.000 1.163 63 T HN 0.700 nan 8.240 nan 0.000 0.517 64 G N 0.253 109.063 108.800 0.017 0.000 2.434 64 G HA2 0.580 4.540 3.960 0.001 0.000 0.330 64 G HA3 0.580 4.540 3.960 0.001 0.000 0.330 64 G C -0.902 174.058 174.900 0.099 0.000 1.155 64 G CA -0.285 44.857 45.100 0.070 0.000 0.917 64 G HN 0.276 nan 8.290 nan 0.000 0.493 65 T N -1.076 113.574 114.554 0.160 0.000 2.626 65 T HA 0.421 4.771 4.350 0.001 0.000 0.279 65 T C 0.544 175.383 174.700 0.231 0.000 0.983 65 T CA -0.424 61.815 62.100 0.233 0.000 1.059 65 T CB 0.784 69.741 68.868 0.147 0.000 1.396 65 T HN 0.684 nan 8.240 nan 0.000 0.519 66 W N 0.682 122.069 121.300 0.145 0.000 2.678 66 W HA 0.305 4.966 4.660 0.001 0.000 0.256 66 W C 0.307 176.791 176.519 -0.058 0.000 1.280 66 W CA 0.433 57.811 57.345 0.055 0.000 1.345 66 W CB -1.047 28.464 29.460 0.085 0.000 1.118 66 W HN 0.528 nan 8.180 nan 0.000 0.629 67 T N 0.895 114.979 114.554 -0.783 0.000 2.883 67 T HA 0.339 4.689 4.350 0.001 0.000 0.296 67 T C -0.508 173.958 174.700 -0.390 0.000 1.117 67 T CA -0.324 61.340 62.100 -0.726 0.000 1.006 67 T CB 1.884 69.957 68.868 -1.325 0.000 1.191 67 T HN -0.230 nan 8.240 nan 0.000 0.508 68 T N 2.581 117.005 114.554 -0.216 0.000 2.834 68 T HA 0.472 4.822 4.350 0.001 0.000 0.298 68 T C 0.137 174.880 174.700 0.072 0.000 0.966 68 T CA -0.371 61.705 62.100 -0.040 0.000 1.141 68 T CB 0.120 68.999 68.868 0.018 0.000 0.905 68 T HN 0.641 nan 8.240 nan 0.000 0.535 69 V N 2.766 122.702 119.914 0.037 0.000 2.715 69 V HA 0.524 4.644 4.120 0.001 0.000 0.310 69 V C 1.044 177.028 176.094 -0.184 0.000 1.054 69 V CA -1.173 61.096 62.300 -0.052 0.000 0.928 69 V CB 1.506 33.210 31.823 -0.198 0.000 1.007 69 V HN 1.030 nan 8.190 nan 0.000 0.437 70 W N 2.144 123.102 121.300 -0.570 0.000 2.519 70 W HA -0.053 4.607 4.660 0.001 0.000 0.266 70 W C 1.375 177.693 176.519 -0.335 0.000 1.253 70 W CA 1.272 58.135 57.345 -0.804 0.000 1.274 70 W CB -1.697 27.004 29.460 -1.264 0.000 1.114 70 W HN 0.755 nan 8.180 nan 0.000 0.596 71 T N -0.765 113.102 114.554 -1.145 0.000 2.962 71 T HA -0.211 4.140 4.350 0.001 0.000 0.270 71 T C 1.080 175.516 174.700 -0.441 0.000 1.088 71 T CA 1.597 63.068 62.100 -1.049 0.000 1.127 71 T CB -0.619 67.640 68.868 -1.016 0.000 0.883 71 T HN -0.110 nan 8.240 nan 0.000 0.493 72 D N 1.820 122.050 120.400 -0.285 0.000 2.172 72 D HA -0.058 4.583 4.640 0.001 0.000 0.196 72 D C 1.725 177.981 176.300 -0.073 0.000 0.999 72 D CA 0.872 54.795 54.000 -0.128 0.000 0.856 72 D CB -0.376 40.388 40.800 -0.061 0.000 0.934 72 D HN 0.417 nan 8.370 nan 0.000 0.453 73 L N -0.082 121.110 121.223 -0.052 0.000 2.554 73 L HA 0.060 4.401 4.340 0.001 0.000 0.226 73 L C 1.919 178.801 176.870 0.021 0.000 1.137 73 L CA 0.027 54.876 54.840 0.016 0.000 0.863 73 L CB -0.039 42.063 42.059 0.073 0.000 0.985 73 L HN 0.044 nan 8.230 nan 0.000 0.451 74 L N -1.219 119.989 121.223 -0.025 0.000 2.395 74 L HA 0.022 4.362 4.340 0.001 0.000 0.218 74 L C 1.255 178.120 176.870 -0.007 0.000 1.130 74 L CA 0.563 55.396 54.840 -0.011 0.000 0.826 74 L CB -0.073 41.948 42.059 -0.064 0.000 0.941 74 L HN 0.217 nan 8.230 nan 0.000 0.451 75 T N -2.176 112.374 114.554 -0.007 0.000 2.693 75 T HA 0.194 4.545 4.350 0.001 0.000 0.278 75 T C -1.429 173.316 174.700 0.075 0.000 0.994 75 T CA -0.588 61.538 62.100 0.043 0.000 1.033 75 T CB 1.881 70.762 68.868 0.022 0.000 1.342 75 T HN -0.146 nan 8.240 nan 0.000 0.538 76 D N 2.194 122.684 120.400 0.150 0.000 2.493 76 D HA 0.259 4.900 4.640 0.001 0.000 0.235 76 D C 1.273 177.633 176.300 0.099 0.000 1.117 76 D CA -0.420 53.626 54.000 0.077 0.000 0.930 76 D CB 0.278 41.086 40.800 0.012 0.000 1.010 76 D HN 0.306 nan 8.370 nan 0.000 0.514 77 M N 1.506 121.144 119.600 0.064 0.000 2.213 77 M HA -0.114 4.366 4.480 0.001 0.000 0.263 77 M C 1.063 177.352 176.300 -0.018 0.000 1.062 77 M CA 1.194 56.526 55.300 0.055 0.000 1.105 77 M CB -0.532 32.063 32.600 -0.008 0.000 1.385 77 M HN 0.347 nan 8.290 nan 0.000 0.417 78 D N -0.264 120.096 120.400 -0.066 0.000 2.178 78 D HA -0.176 4.464 4.640 0.001 0.000 0.201 78 D C 2.100 178.313 176.300 -0.145 0.000 0.980 78 D CA 1.089 55.025 54.000 -0.108 0.000 0.842 78 D CB 0.003 40.749 40.800 -0.089 0.000 0.948 78 D HN 0.287 nan 8.370 nan 0.000 0.472 79 R N -1.048 119.325 120.500 -0.212 0.000 2.148 79 R HA -0.101 4.240 4.340 0.001 0.000 0.223 79 R C 1.028 177.053 176.300 -0.458 0.000 1.088 79 R CA 1.199 57.060 56.100 -0.398 0.000 0.985 79 R CB -0.023 29.898 30.300 -0.631 0.000 0.880 79 R HN 0.261 nan 8.270 nan 0.000 0.451 80 Y N 0.527 120.801 120.300 -0.043 0.000 2.498 80 Y HA 0.185 4.736 4.550 0.001 0.000 0.259 80 Y C 0.099 175.988 175.900 -0.019 0.000 1.086 80 Y CA -0.253 57.826 58.100 -0.035 0.000 1.287 80 Y CB 0.226 38.665 38.460 -0.035 0.000 1.146 80 Y HN -0.032 nan 8.280 nan 0.000 0.523 81 K N 1.069 121.527 120.400 0.097 0.000 2.326 81 K HA 0.384 4.704 4.320 0.001 0.000 0.275 81 K C 0.602 177.232 176.600 0.050 0.000 1.018 81 K CA -0.090 56.275 56.287 0.130 0.000 0.962 81 K CB 0.740 33.254 32.500 0.023 0.000 0.953 81 K HN 0.118 nan 8.250 nan 0.000 0.475 82 G N 2.237 111.089 108.800 0.088 0.000 2.491 82 G HA2 0.144 4.104 3.960 0.001 0.000 0.242 82 G HA3 0.144 4.104 3.960 0.001 0.000 0.242 82 G C -0.944 173.905 174.900 -0.085 0.000 1.266 82 G CA -0.725 44.273 45.100 -0.170 0.000 0.844 82 G HN 0.609 nan 8.290 nan 0.000 0.571 83 K N 1.230 121.505 120.400 -0.208 0.000 2.604 83 K HA 0.250 4.571 4.320 0.001 0.000 0.247 83 K C -0.858 175.776 176.600 0.057 0.000 0.956 83 K CA -0.595 55.622 56.287 -0.116 0.000 0.896 83 K CB 1.786 34.041 32.500 -0.409 0.000 1.131 83 K HN 0.443 nan 8.250 nan 0.000 0.440 84 C N 5.027 124.384 119.300 0.095 0.000 2.595 84 C HA 0.157 4.618 4.460 0.001 0.000 0.374 84 C C 1.075 176.202 174.990 0.228 0.000 1.250 84 C CA -0.342 58.767 59.018 0.152 0.000 1.595 84 C CB -1.504 26.332 27.740 0.161 0.000 2.257 84 C HN 0.959 nan 8.230 nan 0.000 0.568 85 Y N 2.666 123.110 120.300 0.239 0.000 2.444 85 Y HA 0.458 5.009 4.550 0.001 0.000 0.249 85 Y C 0.758 176.852 175.900 0.322 0.000 1.134 85 Y CA -0.191 58.042 58.100 0.222 0.000 1.261 85 Y CB -0.415 38.231 38.460 0.309 0.000 1.143 85 Y HN 0.768 nan 8.280 nan 0.000 0.523 86 H N 0.334 119.362 119.070 -0.069 0.000 3.086 86 H HA 0.537 5.094 4.556 0.001 0.000 0.353 86 H C -1.971 173.544 175.328 0.311 0.000 1.134 86 H CA -0.844 55.270 56.048 0.110 0.000 1.248 86 H CB 1.942 31.676 29.762 -0.046 0.000 1.878 86 H HN 0.136 nan 8.280 nan 0.000 0.527 87 I N 4.117 124.542 120.570 -0.242 0.000 2.582 87 I HA 0.230 4.401 4.170 0.001 0.000 0.292 87 I C -0.876 175.106 176.117 -0.226 0.000 1.066 87 I CA -0.589 60.681 61.300 -0.050 0.000 1.053 87 I CB 2.356 40.402 38.000 0.076 0.000 1.241 87 I HN 0.579 nan 8.210 nan 0.000 0.421 88 E N 6.939 127.193 120.200 0.090 0.000 2.308 88 E HA 0.521 4.871 4.350 0.001 0.000 0.275 88 E C -2.964 173.756 176.600 0.199 0.000 0.890 88 E CA -2.152 54.353 56.400 0.175 0.000 0.754 88 E CB 2.452 32.352 29.700 0.333 0.000 1.207 88 E HN 0.117 nan 8.360 nan 0.000 0.426 89 P HA -0.015 nan 4.420 nan 0.000 0.268 89 P C 0.036 177.230 177.300 -0.176 0.000 1.205 89 P CA -0.364 62.620 63.100 -0.193 0.000 0.771 89 P CB 0.856 32.450 31.700 -0.177 0.000 0.858 90 V N 3.176 122.853 119.914 -0.396 0.000 2.446 90 V HA 0.142 4.262 4.120 0.001 0.000 0.276 90 V C 1.189 177.186 176.094 -0.162 0.000 1.030 90 V CA -0.276 61.844 62.300 -0.300 0.000 1.033 90 V CB -0.137 31.391 31.823 -0.493 0.000 0.993 90 V HN 0.695 nan 8.190 nan 0.000 0.477 91 A N 4.755 127.555 122.820 -0.034 0.000 2.545 91 A HA 0.477 4.798 4.320 0.001 0.000 0.253 91 A C 1.545 179.105 177.584 -0.041 0.000 1.074 91 A CA 0.641 52.664 52.037 -0.024 0.000 0.760 91 A CB -0.566 18.448 19.000 0.022 0.000 1.005 91 A HN 2.113 nan 8.150 nan 0.000 0.506 92 G N 1.896 110.663 108.800 -0.056 0.000 2.176 92 G HA2 -0.181 3.780 3.960 0.001 0.000 0.253 92 G HA3 -0.181 3.780 3.960 0.001 0.000 0.253 92 G C -0.153 174.706 174.900 -0.069 0.000 0.979 92 G CA 0.447 45.518 45.100 -0.048 0.000 0.641 92 G HN 0.880 nan 8.290 nan 0.000 0.530 93 E N 0.775 120.907 120.200 -0.113 0.000 2.224 93 E HA 0.409 4.759 4.350 0.001 0.000 0.265 93 E C -0.087 176.402 176.600 -0.186 0.000 0.878 93 E CA -0.733 55.586 56.400 -0.134 0.000 0.759 93 E CB 1.295 30.905 29.700 -0.150 0.000 1.164 93 E HN 0.628 nan 8.360 nan 0.000 0.414 94 E N 2.487 122.602 120.200 -0.141 0.000 2.344 94 E HA 0.079 4.430 4.350 0.001 0.000 0.270 94 E C -0.022 176.468 176.600 -0.184 0.000 1.021 94 E CA -0.549 55.765 56.400 -0.143 0.000 0.887 94 E CB 0.392 30.044 29.700 -0.079 0.000 0.997 94 E HN 0.494 nan 8.360 nan 0.000 0.429 95 N N 1.162 119.724 118.700 -0.230 0.000 2.740 95 N HA -0.214 4.526 4.740 0.001 0.000 0.248 95 N C -1.831 173.505 175.510 -0.291 0.000 1.062 95 N CA 1.184 54.131 53.050 -0.172 0.000 0.704 95 N CB -1.013 37.461 38.487 -0.022 0.000 0.968 95 N HN 0.481 nan 8.380 nan 0.000 0.547 96 S N 0.189 115.503 115.700 -0.644 0.000 2.557 96 S HA 0.745 5.216 4.470 0.001 0.000 0.291 96 S C -1.499 172.487 174.600 -1.024 0.000 1.116 96 S CA -0.500 57.330 58.200 -0.617 0.000 0.992 96 S CB 0.584 63.531 63.200 -0.421 0.000 1.028 96 S HN 0.262 nan 8.310 nan 0.000 0.484 97 Y N 1.955 121.771 120.300 -0.806 0.000 2.581 97 Y HA 0.631 5.181 4.550 0.001 0.000 0.345 97 Y C -0.823 174.630 175.900 -0.744 0.000 1.036 97 Y CA -1.128 56.497 58.100 -0.792 0.000 1.042 97 Y CB 0.954 38.854 38.460 -0.934 0.000 1.289 97 Y HN 0.525 nan 8.280 nan 0.000 0.471 98 F N 1.398 121.356 119.950 0.014 0.000 2.415 98 F HA 0.704 5.231 4.527 0.001 0.000 0.348 98 F C 0.241 176.128 175.800 0.145 0.000 1.119 98 F CA -1.088 56.935 58.000 0.037 0.000 1.069 98 F CB 1.191 40.241 39.000 0.083 0.000 1.124 98 F HN 0.503 nan 8.300 nan 0.000 0.472 99 A N 4.322 127.358 122.820 0.360 0.000 2.304 99 A HA 0.772 5.092 4.320 0.001 0.000 0.323 99 A C -1.397 176.187 177.584 -0.000 0.000 1.195 99 A CA -0.428 51.776 52.037 0.278 0.000 0.826 99 A CB 0.199 19.341 19.000 0.237 0.000 1.184 99 A HN 0.528 nan 8.150 nan 0.000 0.496 100 F N 2.074 122.077 119.950 0.089 0.000 2.427 100 F HA 0.602 5.129 4.527 0.001 0.000 0.346 100 F C 0.099 175.763 175.800 -0.227 0.000 1.120 100 F CA -0.418 57.563 58.000 -0.031 0.000 1.033 100 F CB 1.546 40.419 39.000 -0.211 0.000 1.126 100 F HN 0.323 nan 8.300 nan 0.000 0.462 101 I N 2.897 123.625 120.570 0.264 0.000 2.498 101 I HA 0.628 4.798 4.170 0.001 0.000 0.290 101 I C -0.527 175.786 176.117 0.327 0.000 1.032 101 I CA -0.997 60.437 61.300 0.223 0.000 1.073 101 I CB 1.965 40.025 38.000 0.100 0.000 1.251 101 I HN 0.651 nan 8.210 nan 0.000 0.426 102 A N 6.061 129.046 122.820 0.276 0.000 2.292 102 A HA 0.760 5.080 4.320 0.001 0.000 0.319 102 A C -1.515 175.997 177.584 -0.120 0.000 1.206 102 A CA -0.230 51.912 52.037 0.175 0.000 0.835 102 A CB 0.384 19.521 19.000 0.228 0.000 1.164 102 A HN 0.584 nan 8.150 nan 0.000 0.505 103 Y N 2.249 122.656 120.300 0.178 0.000 2.341 103 Y HA 0.441 4.991 4.550 0.001 0.000 0.338 103 Y C -2.314 173.715 175.900 0.215 0.000 0.965 103 Y CA -2.495 55.730 58.100 0.208 0.000 1.108 103 Y CB 1.628 40.328 38.460 0.400 0.000 1.180 103 Y HN 0.493 nan 8.280 nan 0.000 0.458 104 P HA -0.052 nan 4.420 nan 0.000 0.267 104 P C 0.782 178.237 177.300 0.257 0.000 1.200 104 P CA -0.145 63.060 63.100 0.175 0.000 0.772 104 P CB 0.896 32.634 31.700 0.064 0.000 0.855 105 L N 2.827 124.190 121.223 0.233 0.000 2.129 105 L HA -0.204 4.137 4.340 0.001 0.000 0.212 105 L C 1.294 178.302 176.870 0.230 0.000 1.087 105 L CA 2.068 57.078 54.840 0.284 0.000 0.757 105 L CB -1.037 41.124 42.059 0.170 0.000 0.896 105 L HN 0.265 nan 8.230 nan 0.000 0.434 106 D N -0.772 119.704 120.400 0.127 0.000 2.310 106 D HA -0.110 4.530 4.640 0.001 0.000 0.212 106 D C 2.142 178.444 176.300 0.004 0.000 0.965 106 D CA 0.873 54.938 54.000 0.108 0.000 0.879 106 D CB -0.057 40.859 40.800 0.192 0.000 0.921 106 D HN 0.399 nan 8.370 nan 0.000 0.510 107 L N -0.688 120.409 121.223 -0.211 0.000 2.478 107 L HA 0.024 4.365 4.340 0.001 0.000 0.223 107 L C 0.044 176.500 176.870 -0.689 0.000 1.140 107 L CA 0.376 54.895 54.840 -0.536 0.000 0.842 107 L CB -0.132 41.431 42.059 -0.827 0.000 0.953 107 L HN -0.113 nan 8.230 nan 0.000 0.452 108 F N -0.414 119.572 119.950 0.060 0.000 2.495 108 F HA 0.325 4.852 4.527 0.001 0.000 0.327 108 F C 0.591 176.403 175.800 0.020 0.000 1.103 108 F CA -1.372 56.653 58.000 0.040 0.000 0.949 108 F CB 1.057 40.094 39.000 0.061 0.000 1.142 108 F HN -0.187 nan 8.300 nan 0.000 0.457 109 E N 1.867 122.165 120.200 0.163 0.000 2.344 109 E HA 0.114 4.464 4.350 0.001 0.000 0.270 109 E C -0.733 175.880 176.600 0.022 0.000 1.021 109 E CA -0.490 55.950 56.400 0.066 0.000 0.887 109 E CB 0.562 30.281 29.700 0.032 0.000 0.997 109 E HN 0.525 nan 8.360 nan 0.000 0.429 110 E N 2.424 122.601 120.200 -0.039 0.000 2.465 110 E HA 0.161 4.512 4.350 0.001 0.000 0.260 110 E C 0.828 177.212 176.600 -0.361 0.000 0.980 110 E CA 1.297 57.602 56.400 -0.159 0.000 0.927 110 E CB 0.569 30.202 29.700 -0.112 0.000 0.934 110 E HN 0.801 nan 8.360 nan 0.000 0.459 111 G N 2.540 110.817 108.800 -0.871 0.000 2.153 111 G HA2 -0.317 3.644 3.960 0.001 0.000 0.252 111 G HA3 -0.317 3.644 3.960 0.001 0.000 0.252 111 G C 0.264 174.745 174.900 -0.698 0.000 0.994 111 G CA 0.415 44.754 45.100 -1.269 0.000 0.698 111 G HN 0.518 nan 8.290 nan 0.000 0.521 112 S N -0.597 114.903 115.700 -0.333 0.000 2.667 112 S HA 0.531 5.002 4.470 0.001 0.000 0.304 112 S C 1.413 176.138 174.600 0.208 0.000 1.135 112 S CA 0.082 58.301 58.200 0.032 0.000 1.125 112 S CB 1.332 64.544 63.200 0.020 0.000 0.996 112 S HN 0.542 nan 8.310 nan 0.000 0.474 113 V N 4.708 124.759 119.914 0.230 0.000 2.427 113 V HA -0.111 4.010 4.120 0.001 0.000 0.248 113 V C 2.521 178.532 176.094 -0.138 0.000 1.051 113 V CA 2.339 64.600 62.300 -0.066 0.000 1.048 113 V CB -0.931 30.614 31.823 -0.462 0.000 0.666 113 V HN 0.830 nan 8.190 nan 0.000 0.456 114 T N 0.161 114.695 114.554 -0.034 0.000 2.665 114 T HA -0.260 4.091 4.350 0.001 0.000 0.268 114 T C 1.915 176.642 174.700 0.046 0.000 1.035 114 T CA 1.989 64.108 62.100 0.032 0.000 1.151 114 T CB -0.471 68.453 68.868 0.094 0.000 0.862 114 T HN 0.571 nan 8.240 nan 0.000 0.438 115 N N 0.716 119.460 118.700 0.073 0.000 2.142 115 N HA -0.056 4.685 4.740 0.001 0.000 0.186 115 N C 2.003 177.605 175.510 0.153 0.000 1.023 115 N CA 1.027 54.139 53.050 0.104 0.000 0.852 115 N CB -0.162 38.395 38.487 0.117 0.000 0.998 115 N HN 0.373 nan 8.380 nan 0.000 0.424 116 I N 1.358 122.023 120.570 0.159 0.000 2.163 116 I HA -0.292 3.878 4.170 0.001 0.000 0.243 116 I C 2.321 178.467 176.117 0.049 0.000 1.085 116 I CA 0.985 62.361 61.300 0.128 0.000 1.347 116 I CB -0.254 37.746 38.000 0.000 0.000 1.044 116 I HN 0.170 nan 8.210 nan 0.000 0.408 117 L N -0.114 121.109 121.223 0.000 0.000 2.093 117 L HA -0.185 4.155 4.340 0.001 0.000 0.208 117 L C 2.620 179.511 176.870 0.035 0.000 1.085 117 L CA 1.431 56.267 54.840 -0.007 0.000 0.755 117 L CB -0.904 41.133 42.059 -0.036 0.000 0.904 117 L HN 0.278 nan 8.230 nan 0.000 0.435 118 T N -1.013 113.572 114.554 0.052 0.000 2.759 118 T HA -0.169 4.182 4.350 0.001 0.000 0.269 118 T C 2.156 176.897 174.700 0.068 0.000 1.042 118 T CA 1.668 63.803 62.100 0.059 0.000 1.140 118 T CB -0.048 68.854 68.868 0.057 0.000 0.864 118 T HN 0.264 nan 8.240 nan 0.000 0.455 119 S N 0.811 116.559 115.700 0.080 0.000 2.335 119 S HA 0.033 4.504 4.470 0.001 0.000 0.217 119 S C 2.062 176.705 174.600 0.073 0.000 1.032 119 S CA 0.628 58.870 58.200 0.070 0.000 0.985 119 S CB -0.223 63.026 63.200 0.081 0.000 0.896 119 S HN 0.302 nan 8.310 nan 0.000 0.445 120 I N 1.683 122.281 120.570 0.046 0.000 2.315 120 I HA -0.038 4.133 4.170 0.001 0.000 0.248 120 I C 1.891 178.188 176.117 0.301 0.000 1.117 120 I CA 1.270 62.626 61.300 0.094 0.000 1.404 120 I CB -1.262 36.710 38.000 -0.047 0.000 1.071 120 I HN 0.298 nan 8.210 nan 0.000 0.419 121 V N -2.759 117.286 119.914 0.217 0.000 3.159 121 V HA 0.544 4.664 4.120 0.001 0.000 0.333 121 V C 1.682 177.870 176.094 0.156 0.000 1.424 121 V CA 0.346 62.811 62.300 0.275 0.000 1.125 121 V CB -0.318 31.511 31.823 0.009 0.000 1.075 121 V HN 0.186 nan 8.190 nan 0.000 0.482 122 G N 1.770 110.653 108.800 0.139 0.000 2.434 122 G HA2 -0.149 3.812 3.960 0.001 0.000 0.214 122 G HA3 -0.149 3.812 3.960 0.001 0.000 0.214 122 G C 1.177 176.155 174.900 0.129 0.000 1.202 122 G CA 1.356 46.517 45.100 0.101 0.000 0.788 122 G HN 0.547 nan 8.290 nan 0.000 0.539 123 N N -0.614 118.180 118.700 0.157 0.000 2.297 123 N HA 0.014 4.755 4.740 0.001 0.000 0.208 123 N C 2.176 177.827 175.510 0.236 0.000 1.176 123 N CA 0.827 53.984 53.050 0.179 0.000 0.882 123 N CB 0.564 39.148 38.487 0.161 0.000 1.134 123 N HN 0.277 nan 8.380 nan 0.000 0.489 124 V N -1.475 118.540 119.914 0.169 0.000 2.809 124 V HA 0.038 4.158 4.120 0.001 0.000 0.256 124 V C 1.615 177.729 176.094 0.033 0.000 1.080 124 V CA 1.099 63.386 62.300 -0.022 0.000 1.102 124 V CB -1.106 30.522 31.823 -0.325 0.000 0.705 124 V HN -0.090 nan 8.190 nan 0.000 0.475 125 F N 2.542 122.528 119.950 0.061 0.000 2.502 125 F HA 0.295 4.822 4.527 0.001 0.000 0.298 125 F C 2.298 178.220 175.800 0.202 0.000 1.111 125 F CA 1.183 59.253 58.000 0.117 0.000 1.445 125 F CB -0.538 38.521 39.000 0.098 0.000 1.081 125 F HN 0.344 nan 8.300 nan 0.000 0.558 126 G N -1.832 107.164 108.800 0.326 0.000 3.159 126 G HA2 0.014 3.975 3.960 0.001 0.000 0.232 126 G HA3 0.014 3.975 3.960 0.001 0.000 0.232 126 G C 0.079 175.073 174.900 0.156 0.000 1.116 126 G CA -0.221 45.010 45.100 0.218 0.000 0.767 126 G HN 0.030 nan 8.290 nan 0.000 0.547 127 F N 1.791 121.748 119.950 0.011 0.000 2.602 127 F HA 0.178 4.706 4.527 0.001 0.000 0.385 127 F C 1.794 177.583 175.800 -0.019 0.000 1.063 127 F CA 0.128 58.111 58.000 -0.029 0.000 1.233 127 F CB 0.974 39.917 39.000 -0.095 0.000 1.067 127 F HN -0.035 nan 8.300 nan 0.000 0.564 128 K N 3.165 123.473 120.400 -0.154 0.000 2.113 128 K HA -0.208 4.113 4.320 0.001 0.000 0.208 128 K C 1.932 178.541 176.600 0.015 0.000 1.047 128 K CA 1.464 57.707 56.287 -0.074 0.000 0.928 128 K CB -0.164 32.252 32.500 -0.139 0.000 0.716 128 K HN 0.719 nan 8.250 nan 0.000 0.446 129 A N 0.709 123.576 122.820 0.077 0.000 2.209 129 A HA 0.000 4.321 4.320 0.001 0.000 0.212 129 A C 0.625 178.267 177.584 0.098 0.000 1.158 129 A CA 0.595 52.696 52.037 0.107 0.000 0.742 129 A CB -0.008 19.096 19.000 0.174 0.000 0.790 129 A HN 0.057 nan 8.150 nan 0.000 0.472 130 I N -0.554 120.081 120.570 0.109 0.000 2.433 130 I HA 0.316 4.486 4.170 0.001 0.000 0.292 130 I C 0.929 177.104 176.117 0.097 0.000 1.001 130 I CA -0.385 60.968 61.300 0.088 0.000 1.119 130 I CB 1.507 39.524 38.000 0.028 0.000 1.289 130 I HN 0.246 nan 8.210 nan 0.000 0.438 131 R N 2.883 123.446 120.500 0.104 0.000 2.075 131 R HA 0.046 4.387 4.340 0.001 0.000 0.226 131 R C 0.252 176.624 176.300 0.119 0.000 1.114 131 R CA 0.822 56.974 56.100 0.088 0.000 0.972 131 R CB 0.139 30.484 30.300 0.074 0.000 0.869 131 R HN 0.780 nan 8.270 nan 0.000 0.437 132 S N -0.375 115.428 115.700 0.172 0.000 2.550 132 S HA 0.563 5.033 4.470 0.001 0.000 0.270 132 S C -1.397 173.339 174.600 0.227 0.000 1.145 132 S CA -1.077 57.308 58.200 0.308 0.000 0.852 132 S CB 2.221 65.566 63.200 0.242 0.000 1.119 132 S HN 0.041 nan 8.310 nan 0.000 0.465 133 L N 1.373 122.701 121.223 0.175 0.000 2.493 133 L HA 0.842 5.183 4.340 0.001 0.000 0.265 133 L C -1.078 175.701 176.870 -0.151 0.000 0.954 133 L CA -0.373 54.364 54.840 -0.173 0.000 0.844 133 L CB 2.192 43.836 42.059 -0.692 0.000 1.302 133 L HN 1.054 nan 8.230 nan 0.000 0.405 134 R N 4.142 124.682 120.500 0.067 0.000 2.514 134 R HA 0.652 4.993 4.340 0.001 0.000 0.296 134 R C -1.977 174.451 176.300 0.213 0.000 1.012 134 R CA -0.644 55.586 56.100 0.216 0.000 0.897 134 R CB 1.430 31.839 30.300 0.182 0.000 1.184 134 R HN 0.644 nan 8.270 nan 0.000 0.440 135 L N 4.139 125.514 121.223 0.253 0.000 2.369 135 L HA 0.308 4.648 4.340 0.001 0.000 0.279 135 L C 0.349 177.161 176.870 -0.096 0.000 1.108 135 L CA 0.654 55.442 54.840 -0.087 0.000 0.852 135 L CB 1.039 43.050 42.059 -0.080 0.000 1.169 135 L HN 0.822 nan 8.230 nan 0.000 0.452 136 E N 2.312 122.346 120.200 -0.277 0.000 2.166 136 E HA 0.122 4.472 4.350 0.001 0.000 0.192 136 E C -0.271 176.154 176.600 -0.292 0.000 0.967 136 E CA 0.457 56.664 56.400 -0.322 0.000 0.840 136 E CB 0.402 29.621 29.700 -0.802 0.000 0.795 136 E HN 0.685 nan 8.360 nan 0.000 0.470 137 D N -1.000 119.205 120.400 -0.325 0.000 2.663 137 D HA 0.384 5.024 4.640 0.001 0.000 0.233 137 D C -1.431 174.870 176.300 0.003 0.000 1.240 137 D CA -0.478 53.474 54.000 -0.080 0.000 0.774 137 D CB 1.623 42.416 40.800 -0.012 0.000 1.443 137 D HN -0.164 nan 8.370 nan 0.000 0.441 138 I N 1.618 122.163 120.570 -0.041 0.000 2.499 138 I HA 0.352 4.523 4.170 0.001 0.000 0.288 138 I C 0.001 175.858 176.117 -0.432 0.000 1.048 138 I CA -0.834 60.247 61.300 -0.365 0.000 1.062 138 I CB 2.205 39.735 38.000 -0.784 0.000 1.238 138 I HN 0.097 nan 8.210 nan 0.000 0.426 139 R N 6.162 126.267 120.500 -0.658 0.000 2.210 139 R HA 0.364 4.704 4.340 0.001 0.000 0.338 139 R C -1.419 174.538 176.300 -0.572 0.000 1.062 139 R CA -0.417 55.360 56.100 -0.539 0.000 0.902 139 R CB 0.389 30.319 30.300 -0.617 0.000 1.050 139 R HN 0.339 nan 8.270 nan 0.000 0.461 140 F N 7.094 126.836 119.950 -0.347 0.000 2.444 140 F HA 0.261 4.788 4.527 0.001 0.000 0.360 140 F C -1.366 174.258 175.800 -0.294 0.000 1.106 140 F CA -2.073 55.719 58.000 -0.345 0.000 1.170 140 F CB 0.787 39.532 39.000 -0.424 0.000 1.113 140 F HN 0.409 nan 8.300 nan 0.000 0.521 141 P HA -0.007 nan 4.420 nan 0.000 0.269 141 P C 0.889 178.178 177.300 -0.018 0.000 1.209 141 P CA -0.023 63.049 63.100 -0.045 0.000 0.776 141 P CB 1.381 33.074 31.700 -0.012 0.000 0.876 142 V N 2.641 122.540 119.914 -0.025 0.000 2.469 142 V HA -0.275 3.846 4.120 0.001 0.000 0.251 142 V C 2.579 178.694 176.094 0.035 0.000 1.064 142 V CA 2.740 65.037 62.300 -0.005 0.000 1.066 142 V CB -1.554 30.271 31.823 0.004 0.000 0.667 142 V HN 0.689 nan 8.190 nan 0.000 0.461 143 A N -0.700 122.144 122.820 0.040 0.000 2.015 143 A HA -0.139 4.181 4.320 0.001 0.000 0.219 143 A C 2.097 179.730 177.584 0.081 0.000 1.163 143 A CA 1.752 53.822 52.037 0.055 0.000 0.646 143 A CB -0.354 18.676 19.000 0.050 0.000 0.806 143 A HN 0.455 nan 8.150 nan 0.000 0.448 144 L N -0.650 120.635 121.223 0.103 0.000 2.162 144 L HA 0.040 4.381 4.340 0.001 0.000 0.205 144 L C 2.309 179.336 176.870 0.261 0.000 1.086 144 L CA 1.309 56.251 54.840 0.170 0.000 0.778 144 L CB -0.324 41.845 42.059 0.183 0.000 0.928 144 L HN 0.117 nan 8.230 nan 0.000 0.446 145 V N -0.001 120.010 119.914 0.162 0.000 2.392 145 V HA -0.287 3.834 4.120 0.001 0.000 0.249 145 V C 2.441 178.677 176.094 0.236 0.000 1.059 145 V CA 1.604 63.993 62.300 0.148 0.000 1.051 145 V CB -0.768 31.061 31.823 0.009 0.000 0.658 145 V HN 0.410 nan 8.190 nan 0.000 0.455 146 K N 0.336 120.830 120.400 0.157 0.000 2.504 146 K HA -0.064 4.257 4.320 0.001 0.000 0.195 146 K C 2.016 178.673 176.600 0.095 0.000 1.036 146 K CA 1.449 57.807 56.287 0.119 0.000 0.984 146 K CB -0.290 32.256 32.500 0.076 0.000 0.788 146 K HN 0.736 nan 8.250 nan 0.000 0.488 147 T N -1.887 112.720 114.554 0.089 0.000 3.100 147 T HA 0.087 4.438 4.350 0.001 0.000 0.253 147 T C 0.509 175.091 174.700 -0.197 0.000 1.118 147 T CA -0.104 61.950 62.100 -0.077 0.000 1.058 147 T CB -0.183 68.579 68.868 -0.177 0.000 0.953 147 T HN -0.162 nan 8.240 nan 0.000 0.515 148 F N 1.273 121.219 119.950 -0.007 0.000 2.432 148 F HA 0.483 5.011 4.527 0.001 0.000 0.329 148 F C 1.647 177.441 175.800 -0.010 0.000 1.076 148 F CA -1.224 56.767 58.000 -0.016 0.000 1.018 148 F CB 1.795 40.774 39.000 -0.036 0.000 1.201 148 F HN -0.112 nan 8.300 nan 0.000 0.489 149 Q N 2.039 121.942 119.800 0.172 0.000 2.049 149 Q HA 0.207 4.547 4.340 0.001 0.000 0.198 149 Q C 1.056 177.094 176.000 0.064 0.000 0.971 149 Q CA 1.223 57.075 55.803 0.080 0.000 0.833 149 Q CB -0.108 28.653 28.738 0.037 0.000 0.896 149 Q HN 1.001 nan 8.270 nan 0.000 0.434 150 G N 0.349 109.193 108.800 0.074 0.000 2.632 150 G HA2 -0.240 3.720 3.960 0.001 0.000 0.224 150 G HA3 -0.240 3.720 3.960 0.001 0.000 0.224 150 G C -2.509 172.357 174.900 -0.056 0.000 1.341 150 G CA -0.420 44.673 45.100 -0.012 0.000 0.880 150 G HN 0.335 nan 8.290 nan 0.000 0.566 151 P HA 0.183 nan 4.420 nan 0.000 0.262 151 P C -1.682 175.533 177.300 -0.142 0.000 1.182 151 P CA -0.272 62.762 63.100 -0.109 0.000 0.761 151 P CB 0.391 32.028 31.700 -0.106 0.000 0.795 152 P HA -0.191 nan 4.420 nan 0.000 0.216 152 P C 0.764 177.599 177.300 -0.775 0.000 1.150 152 P CA 1.926 64.768 63.100 -0.431 0.000 0.843 152 P CB 0.015 31.486 31.700 -0.381 0.000 0.787 153 H N -3.749 115.300 119.070 -0.035 0.000 1.955 153 H HA 0.345 4.902 4.556 0.001 0.000 0.196 153 H C 1.220 176.538 175.328 -0.017 0.000 0.891 153 H CA 0.936 56.971 56.048 -0.022 0.000 1.001 153 H CB 0.053 29.805 29.762 -0.017 0.000 1.195 153 H HN 0.101 nan 8.280 nan 0.000 0.384 154 G N 1.238 110.094 108.800 0.092 0.000 2.756 154 G HA2 -0.210 3.751 3.960 0.001 0.000 0.678 154 G HA3 -0.210 3.751 3.960 0.001 0.000 0.678 154 G C 0.821 175.763 174.900 0.071 0.000 1.349 154 G CA -0.050 45.073 45.100 0.039 0.000 0.847 154 G HN 0.205 nan 8.290 nan 0.000 0.548 155 I N 0.516 121.113 120.570 0.044 0.000 2.091 155 I HA -0.300 3.871 4.170 0.001 0.000 0.239 155 I C 3.041 179.204 176.117 0.076 0.000 1.061 155 I CA 2.825 64.160 61.300 0.059 0.000 1.317 155 I CB -0.409 37.613 38.000 0.037 0.000 1.031 155 I HN 0.839 nan 8.210 nan 0.000 0.401 156 Q N 0.651 120.495 119.800 0.074 0.000 2.119 156 Q HA -0.109 4.231 4.340 0.001 0.000 0.201 156 Q C 2.033 178.095 176.000 0.103 0.000 0.972 156 Q CA 1.590 57.450 55.803 0.096 0.000 0.847 156 Q CB -0.678 28.110 28.738 0.083 0.000 0.903 156 Q HN 0.309 nan 8.270 nan 0.000 0.433 157 V N 1.387 121.357 119.914 0.094 0.000 2.427 157 V HA -0.241 3.880 4.120 0.001 0.000 0.248 157 V C 2.360 178.498 176.094 0.073 0.000 1.051 157 V CA 2.076 64.434 62.300 0.097 0.000 1.048 157 V CB -0.645 31.256 31.823 0.129 0.000 0.666 157 V HN 0.546 nan 8.190 nan 0.000 0.456 158 E N 0.436 120.683 120.200 0.078 0.000 2.051 158 E HA -0.230 4.120 4.350 0.001 0.000 0.192 158 E C 2.461 179.074 176.600 0.021 0.000 0.991 158 E CA 1.249 57.679 56.400 0.050 0.000 0.799 158 E CB -0.059 29.706 29.700 0.107 0.000 0.748 158 E HN 0.525 nan 8.360 nan 0.000 0.449 159 R N 0.501 121.010 120.500 0.016 0.000 2.091 159 R HA -0.134 4.206 4.340 0.001 0.000 0.238 159 R C 1.900 178.064 176.300 -0.226 0.000 1.136 159 R CA 1.484 57.515 56.100 -0.116 0.000 0.959 159 R CB -0.317 29.974 30.300 -0.016 0.000 0.856 159 R HN 0.289 nan 8.270 nan 0.000 0.437 160 D N 0.933 121.338 120.400 0.009 0.000 2.144 160 D HA -0.089 4.551 4.640 0.001 0.000 0.200 160 D C 2.058 178.365 176.300 0.012 0.000 0.978 160 D CA 0.916 54.969 54.000 0.089 0.000 0.833 160 D CB -0.125 40.761 40.800 0.144 0.000 0.961 160 D HN 0.173 nan 8.370 nan 0.000 0.470 161 L N 0.014 121.229 121.223 -0.014 0.000 2.093 161 L HA -0.063 4.277 4.340 0.001 0.000 0.208 161 L C 2.159 179.005 176.870 -0.041 0.000 1.085 161 L CA 0.697 55.519 54.840 -0.029 0.000 0.755 161 L CB -0.094 41.927 42.059 -0.064 0.000 0.904 161 L HN 0.014 nan 8.230 nan 0.000 0.435 162 L N -1.316 119.865 121.223 -0.071 0.000 2.585 162 L HA 0.124 4.464 4.340 0.001 0.000 0.226 162 L C 0.336 177.116 176.870 -0.150 0.000 1.113 162 L CA -0.134 54.661 54.840 -0.074 0.000 0.876 162 L CB -0.071 41.972 42.059 -0.027 0.000 1.072 162 L HN 0.302 nan 8.230 nan 0.000 0.468 163 N N 1.281 119.835 118.700 -0.242 0.000 2.735 163 N HA -0.165 4.575 4.740 0.001 0.000 0.248 163 N C -0.244 175.004 175.510 -0.437 0.000 1.083 163 N CA 0.899 53.766 53.050 -0.305 0.000 0.703 163 N CB -0.737 37.705 38.487 -0.075 0.000 1.005 163 N HN 0.198 nan 8.380 nan 0.000 0.550 164 K N 0.989 121.006 120.400 -0.639 0.000 2.449 164 K HA 0.424 4.744 4.320 0.001 0.000 0.257 164 K C -1.091 175.221 176.600 -0.480 0.000 0.989 164 K CA -0.174 55.873 56.287 -0.399 0.000 0.916 164 K CB 0.553 32.918 32.500 -0.226 0.000 1.136 164 K HN 0.080 nan 8.250 nan 0.000 0.439 165 Y N -0.004 120.304 120.300 0.013 0.000 2.512 165 Y HA 0.514 5.065 4.550 0.001 0.000 0.348 165 Y C 1.232 177.142 175.900 0.017 0.000 0.990 165 Y CA -0.894 57.217 58.100 0.018 0.000 1.033 165 Y CB 2.614 41.084 38.460 0.017 0.000 1.259 165 Y HN 0.604 nan 8.280 nan 0.000 0.461 166 G N 1.295 110.210 108.800 0.192 0.000 2.176 166 G HA2 -0.116 3.844 3.960 0.001 0.000 0.232 166 G HA3 -0.116 3.844 3.960 0.001 0.000 0.232 166 G C -0.183 174.767 174.900 0.083 0.000 0.986 166 G CA 0.057 45.227 45.100 0.117 0.000 0.643 166 G HN 0.831 nan 8.290 nan 0.000 0.522 167 R N -0.846 119.700 120.500 0.077 0.000 2.741 167 R HA 0.539 4.880 4.340 0.001 0.000 0.276 167 R C -3.494 172.840 176.300 0.056 0.000 1.028 167 R CA -1.346 54.792 56.100 0.063 0.000 0.865 167 R CB -0.270 30.062 30.300 0.054 0.000 1.268 167 R HN 0.003 nan 8.270 nan 0.000 0.475 168 P HA 0.137 nan 4.420 nan 0.000 0.267 168 P C -0.238 177.087 177.300 0.042 0.000 1.200 168 P CA 0.154 63.286 63.100 0.054 0.000 0.772 168 P CB 0.380 32.123 31.700 0.072 0.000 0.855 169 M N 1.693 121.318 119.600 0.041 0.000 2.291 169 M HA 0.345 4.825 4.480 0.001 0.000 0.324 169 M C -0.076 176.272 176.300 0.081 0.000 1.148 169 M CA -0.304 55.021 55.300 0.042 0.000 1.104 169 M CB 0.521 33.188 32.600 0.111 0.000 1.483 169 M HN 0.131 nan 8.290 nan 0.000 0.467 170 L N 0.794 122.055 121.223 0.064 0.000 2.362 170 L HA 0.794 5.134 4.340 0.001 0.000 0.275 170 L C 0.111 177.070 176.870 0.149 0.000 0.998 170 L CA -0.514 54.399 54.840 0.122 0.000 0.820 170 L CB 1.905 44.019 42.059 0.092 0.000 1.270 170 L HN 0.838 nan 8.230 nan 0.000 0.415 171 G N 0.559 109.458 108.800 0.165 0.000 3.105 171 G HA2 0.651 4.611 3.960 0.001 0.000 0.277 171 G HA3 0.651 4.611 3.960 0.001 0.000 0.277 171 G C -1.845 173.091 174.900 0.060 0.000 1.375 171 G CA -0.535 44.629 45.100 0.107 0.000 0.962 171 G HN 0.690 nan 8.290 nan 0.000 0.541 172 C N -0.058 119.222 119.300 -0.033 0.000 3.135 172 C HA 0.600 5.061 4.460 0.001 0.000 0.428 172 C C -0.359 174.595 174.990 -0.061 0.000 0.972 172 C CA -0.502 58.513 59.018 -0.005 0.000 1.218 172 C CB 0.340 28.098 27.740 0.030 0.000 1.595 172 C HN 0.868 nan 8.230 nan 0.000 0.576 173 T N 7.177 121.720 114.554 -0.018 0.000 2.780 173 T HA 0.406 4.757 4.350 0.001 0.000 0.294 173 T C 0.540 175.243 174.700 0.004 0.000 0.949 173 T CA -0.311 61.789 62.100 0.001 0.000 1.074 173 T CB 0.402 69.304 68.868 0.057 0.000 0.910 173 T HN 0.581 nan 8.240 nan 0.000 0.501 174 I N 3.844 124.402 120.570 -0.020 0.000 2.648 174 I HA 0.210 4.380 4.170 0.001 0.000 0.284 174 I C 0.691 176.809 176.117 0.002 0.000 1.153 174 I CA 0.080 61.321 61.300 -0.097 0.000 1.426 174 I CB -0.084 37.653 38.000 -0.438 0.000 1.381 174 I HN 0.466 nan 8.210 nan 0.000 0.571 175 K N 6.328 126.729 120.400 0.001 0.000 2.443 175 K HA 0.564 4.884 4.320 0.001 0.000 0.251 175 K C -2.430 174.192 176.600 0.038 0.000 0.972 175 K CA -1.638 54.677 56.287 0.046 0.000 0.833 175 K CB 1.499 34.031 32.500 0.053 0.000 1.317 175 K HN 0.301 nan 8.250 nan 0.000 0.441 176 P HA 0.109 nan 4.420 nan 0.000 0.269 176 P C 0.257 177.598 177.300 0.069 0.000 1.217 176 P CA -0.095 63.029 63.100 0.040 0.000 0.783 176 P CB 0.829 32.532 31.700 0.003 0.000 0.898 177 K N 0.243 120.677 120.400 0.057 0.000 2.044 177 K HA -0.081 4.239 4.320 0.001 0.000 0.210 177 K C 0.730 177.386 176.600 0.093 0.000 1.049 177 K CA 1.284 57.621 56.287 0.083 0.000 0.927 177 K CB -0.281 32.250 32.500 0.051 0.000 0.713 177 K HN 0.410 nan 8.250 nan 0.000 0.443 178 L N -2.138 119.070 121.223 -0.024 0.000 2.371 178 L HA 0.431 4.771 4.340 0.001 0.000 0.262 178 L C 0.607 177.168 176.870 -0.515 0.000 1.006 178 L CA -0.394 54.312 54.840 -0.224 0.000 0.818 178 L CB 2.373 44.331 42.059 -0.168 0.000 1.354 178 L HN 0.406 nan 8.230 nan 0.000 0.415 179 G N 1.294 109.400 108.800 -1.157 0.000 2.380 179 G HA2 -0.148 3.812 3.960 0.001 0.000 0.197 179 G HA3 -0.148 3.812 3.960 0.001 0.000 0.197 179 G C -0.186 174.524 174.900 -0.316 0.000 1.001 179 G CA -0.657 43.968 45.100 -0.791 0.000 0.668 179 G HN 0.305 nan 8.290 nan 0.000 0.483 180 L N 2.827 124.007 121.223 -0.072 0.000 2.371 180 L HA 0.543 4.884 4.340 0.001 0.000 0.272 180 L C 1.535 178.554 176.870 0.247 0.000 1.124 180 L CA -0.037 54.886 54.840 0.138 0.000 0.816 180 L CB 1.429 43.654 42.059 0.276 0.000 1.129 180 L HN 0.475 nan 8.230 nan 0.000 0.448 181 S N 1.983 117.780 115.700 0.161 0.000 2.608 181 S HA 0.247 4.717 4.470 0.001 0.000 0.261 181 S C 1.150 175.792 174.600 0.071 0.000 1.314 181 S CA -0.094 58.173 58.200 0.112 0.000 0.992 181 S CB 1.397 64.609 63.200 0.020 0.000 0.935 181 S HN 0.700 nan 8.310 nan 0.000 0.564 182 A N 1.329 124.136 122.820 -0.023 0.000 1.902 182 A HA -0.104 4.216 4.320 0.001 0.000 0.217 182 A C 2.121 179.552 177.584 -0.256 0.000 1.181 182 A CA 2.090 54.102 52.037 -0.043 0.000 0.623 182 A CB -1.102 17.924 19.000 0.044 0.000 0.818 182 A HN 0.940 nan 8.150 nan 0.000 0.443 183 K N 0.164 120.169 120.400 -0.659 0.000 2.057 183 K HA -0.114 4.207 4.320 0.001 0.000 0.206 183 K C 1.596 178.059 176.600 -0.228 0.000 1.050 183 K CA 1.858 57.673 56.287 -0.787 0.000 0.935 183 K CB -0.291 31.769 32.500 -0.734 0.000 0.715 183 K HN 0.396 nan 8.250 nan 0.000 0.439 184 N N -0.530 118.113 118.700 -0.095 0.000 2.309 184 N HA -0.124 4.617 4.740 0.001 0.000 0.182 184 N C 1.381 176.935 175.510 0.073 0.000 1.018 184 N CA 0.826 53.881 53.050 0.007 0.000 0.876 184 N CB -0.264 38.241 38.487 0.031 0.000 0.972 184 N HN 0.245 nan 8.380 nan 0.000 0.434 185 Y N 1.151 121.443 120.300 -0.014 0.000 2.133 185 Y HA -0.061 4.489 4.550 0.001 0.000 0.287 185 Y C 2.418 178.336 175.900 0.030 0.000 1.134 185 Y CA 1.790 59.911 58.100 0.035 0.000 1.133 185 Y CB -0.666 37.835 38.460 0.068 0.000 0.987 185 Y HN 0.058 nan 8.280 nan 0.000 0.502 186 G N -0.561 108.340 108.800 0.169 0.000 2.432 186 G HA2 -0.273 3.688 3.960 0.001 0.000 0.219 186 G HA3 -0.273 3.688 3.960 0.001 0.000 0.219 186 G C 1.797 176.763 174.900 0.109 0.000 1.135 186 G CA 0.771 45.948 45.100 0.129 0.000 0.767 186 G HN 0.311 nan 8.290 nan 0.000 0.550 187 R N 0.494 121.045 120.500 0.086 0.000 2.080 187 R HA -0.046 4.294 4.340 0.001 0.000 0.236 187 R C 2.880 179.233 176.300 0.088 0.000 1.137 187 R CA 1.602 57.770 56.100 0.113 0.000 0.943 187 R CB -0.435 29.906 30.300 0.068 0.000 0.846 187 R HN 0.277 nan 8.270 nan 0.000 0.431 188 A N 0.180 123.004 122.820 0.006 0.000 1.933 188 A HA -0.106 4.215 4.320 0.001 0.000 0.218 188 A C 2.283 179.836 177.584 -0.051 0.000 1.175 188 A CA 1.586 53.597 52.037 -0.044 0.000 0.628 188 A CB -0.495 18.435 19.000 -0.116 0.000 0.814 188 A HN 0.253 nan 8.150 nan 0.000 0.444 189 V N -1.206 118.681 119.914 -0.045 0.000 2.295 189 V HA -0.271 3.849 4.120 0.001 0.000 0.246 189 V C 2.370 178.488 176.094 0.040 0.000 1.049 189 V CA 2.122 64.418 62.300 -0.006 0.000 1.024 189 V CB -1.043 30.765 31.823 -0.025 0.000 0.648 189 V HN 0.742 nan 8.190 nan 0.000 0.447 190 Y N 1.550 121.844 120.300 -0.011 0.000 2.128 190 Y HA -0.232 4.318 4.550 0.001 0.000 0.284 190 Y C 2.549 178.451 175.900 0.003 0.000 1.154 190 Y CA 1.974 60.075 58.100 0.003 0.000 1.149 190 Y CB -0.392 38.076 38.460 0.015 0.000 0.976 190 Y HN 0.277 nan 8.280 nan 0.000 0.505 191 E N -0.533 119.451 120.200 -0.361 0.000 2.106 191 E HA -0.189 4.161 4.350 0.001 0.000 0.192 191 E C 2.494 178.941 176.600 -0.256 0.000 0.984 191 E CA 1.303 57.457 56.400 -0.410 0.000 0.806 191 E CB -0.863 28.734 29.700 -0.172 0.000 0.750 191 E HN 0.550 nan 8.360 nan 0.000 0.458 192 C N 0.667 119.879 119.300 -0.147 0.000 2.462 192 C HA -0.066 4.395 4.460 0.001 0.000 0.278 192 C C 2.862 177.791 174.990 -0.101 0.000 1.253 192 C CA 0.373 59.334 59.018 -0.095 0.000 1.713 192 C CB -1.109 26.603 27.740 -0.047 0.000 2.049 192 C HN 0.360 nan 8.230 nan 0.000 0.477 193 L N 1.190 122.358 121.223 -0.091 0.000 2.093 193 L HA -0.142 4.199 4.340 0.001 0.000 0.208 193 L C 2.904 179.719 176.870 -0.092 0.000 1.085 193 L CA 1.688 56.490 54.840 -0.063 0.000 0.755 193 L CB -0.738 41.320 42.059 -0.003 0.000 0.904 193 L HN 0.482 nan 8.230 nan 0.000 0.435 194 R N 0.469 120.862 120.500 -0.178 0.000 2.193 194 R HA -0.078 4.262 4.340 0.001 0.000 0.229 194 R C 1.877 178.103 176.300 -0.124 0.000 1.110 194 R CA 1.353 57.352 56.100 -0.168 0.000 0.988 194 R CB -0.700 29.380 30.300 -0.367 0.000 0.871 194 R HN 0.255 nan 8.270 nan 0.000 0.458 195 G N -0.704 108.017 108.800 -0.132 0.000 2.880 195 G HA2 0.260 4.220 3.960 0.001 0.000 0.209 195 G HA3 0.260 4.220 3.960 0.001 0.000 0.209 195 G C 0.898 175.751 174.900 -0.078 0.000 1.157 195 G CA 0.256 45.295 45.100 -0.102 0.000 0.779 195 G HN 0.590 nan 8.290 nan 0.000 0.539 196 G N -0.764 107.993 108.800 -0.072 0.000 2.273 196 G HA2 -0.172 3.788 3.960 0.001 0.000 0.162 196 G HA3 -0.172 3.788 3.960 0.001 0.000 0.162 196 G C 0.274 175.134 174.900 -0.067 0.000 1.006 196 G CA -0.332 44.731 45.100 -0.061 0.000 0.704 196 G HN 0.321 nan 8.290 nan 0.000 0.487 197 L N 1.396 122.579 121.223 -0.068 0.000 2.417 197 L HA 0.339 4.679 4.340 0.001 0.000 0.268 197 L C 1.126 177.925 176.870 -0.119 0.000 1.158 197 L CA -0.602 54.201 54.840 -0.063 0.000 0.819 197 L CB 0.591 42.633 42.059 -0.028 0.000 1.112 197 L HN 0.017 nan 8.230 nan 0.000 0.458 198 D N 1.535 121.813 120.400 -0.203 0.000 2.162 198 D HA 0.015 4.655 4.640 0.001 0.000 0.203 198 D C -0.113 175.865 176.300 -0.536 0.000 0.967 198 D CA 1.570 55.287 54.000 -0.472 0.000 0.840 198 D CB 0.270 40.615 40.800 -0.757 0.000 0.972 198 D HN 0.147 nan 8.370 nan 0.000 0.482 199 F N -0.077 119.838 119.950 -0.057 0.000 2.588 199 F HA 0.306 4.834 4.527 0.001 0.000 0.314 199 F C 0.620 176.275 175.800 -0.242 0.000 1.069 199 F CA -1.055 56.845 58.000 -0.167 0.000 0.931 199 F CB 1.779 40.627 39.000 -0.253 0.000 1.260 199 F HN -0.345 nan 8.300 nan 0.000 0.465 200 T N -1.110 113.391 114.554 -0.088 0.000 2.905 200 T HA 0.847 5.197 4.350 0.001 0.000 0.283 200 T C -1.087 173.163 174.700 -0.750 0.000 1.031 200 T CA -1.026 60.943 62.100 -0.218 0.000 1.002 200 T CB 2.529 71.441 68.868 0.073 0.000 1.200 200 T HN 0.760 nan 8.240 nan 0.000 0.560 201 K N -0.201 119.798 120.400 -0.668 0.000 2.546 201 K HA 0.463 4.783 4.320 0.001 0.000 0.264 201 K C -1.842 174.630 176.600 -0.213 0.000 0.937 201 K CA -0.897 54.925 56.287 -0.776 0.000 0.833 201 K CB 1.503 33.682 32.500 -0.535 0.000 1.378 201 K HN 0.385 nan 8.250 nan 0.000 0.432 202 D N 1.770 122.165 120.400 -0.008 0.000 2.423 202 D HA 0.022 4.663 4.640 0.001 0.000 0.238 202 D C -0.277 176.137 176.300 0.189 0.000 1.142 202 D CA 0.490 54.676 54.000 0.310 0.000 0.884 202 D CB 0.594 41.563 40.800 0.282 0.000 1.199 202 D HN 0.393 nan 8.370 nan 0.000 0.438 203 D N 1.062 121.595 120.400 0.222 0.000 2.382 203 D HA -0.075 4.565 4.640 0.001 0.000 0.240 203 D C 1.537 177.835 176.300 -0.004 0.000 1.146 203 D CA -0.135 53.927 54.000 0.103 0.000 0.897 203 D CB 0.816 41.690 40.800 0.123 0.000 1.197 203 D HN 0.412 nan 8.370 nan 0.000 0.432 204 E N 2.288 122.365 120.200 -0.204 0.000 2.160 204 E HA -0.251 4.099 4.350 0.001 0.000 0.195 204 E C 0.670 177.170 176.600 -0.166 0.000 0.991 204 E CA 1.174 57.340 56.400 -0.390 0.000 0.810 204 E CB -0.311 28.783 29.700 -1.011 0.000 0.742 204 E HN 0.474 nan 8.360 nan 0.000 0.466 205 N N 0.948 119.602 118.700 -0.077 0.000 2.270 205 N HA 0.021 4.762 4.740 0.001 0.000 0.198 205 N C 0.270 175.812 175.510 0.054 0.000 1.117 205 N CA -0.169 52.874 53.050 -0.012 0.000 0.845 205 N CB 0.065 38.555 38.487 0.005 0.000 0.980 205 N HN 0.074 nan 8.380 nan 0.000 0.486 206 I N 1.936 122.551 120.570 0.076 0.000 2.347 206 I HA 0.134 4.304 4.170 0.001 0.000 0.294 206 I C 0.254 176.420 176.117 0.082 0.000 1.090 206 I CA 0.146 61.510 61.300 0.106 0.000 1.314 206 I CB -0.335 37.736 38.000 0.118 0.000 1.423 206 I HN 0.198 nan 8.210 nan 0.000 0.503 207 N N 3.364 122.097 118.700 0.055 0.000 3.189 207 N HA 0.142 4.883 4.740 0.001 0.000 0.204 207 N C -0.207 175.339 175.510 0.060 0.000 1.231 207 N CA -0.268 52.812 53.050 0.049 0.000 1.130 207 N CB 0.614 39.103 38.487 0.002 0.000 1.393 207 N HN 0.397 nan 8.380 nan 0.000 0.540 208 S N 0.223 115.926 115.700 0.005 0.000 2.649 208 S HA 0.434 4.904 4.470 0.001 0.000 0.274 208 S C -1.892 172.633 174.600 -0.125 0.000 1.176 208 S CA -0.410 57.791 58.200 0.002 0.000 0.988 208 S CB 1.247 64.550 63.200 0.173 0.000 1.071 208 S HN 0.253 nan 8.310 nan 0.000 0.478 209 Q N 3.244 122.853 119.800 -0.317 0.000 2.553 209 Q HA 0.489 4.830 4.340 0.001 0.000 0.293 209 Q C -2.116 173.590 176.000 -0.491 0.000 1.038 209 Q CA -1.787 53.754 55.803 -0.437 0.000 0.777 209 Q CB 1.736 30.049 28.738 -0.709 0.000 1.487 209 Q HN 0.273 nan 8.270 nan 0.000 0.426 210 P HA -0.172 nan 4.420 nan 0.000 0.216 210 P C 0.576 177.784 177.300 -0.153 0.000 1.150 210 P CA 1.385 64.391 63.100 -0.157 0.000 0.843 210 P CB 0.054 31.740 31.700 -0.023 0.000 0.787 211 F N -1.584 118.364 119.950 -0.003 0.000 2.558 211 F HA 0.173 4.700 4.527 0.001 0.000 0.298 211 F C 0.790 176.581 175.800 -0.014 0.000 1.119 211 F CA 0.157 58.154 58.000 -0.005 0.000 1.451 211 F CB -0.639 38.364 39.000 0.004 0.000 1.091 211 F HN -0.122 nan 8.300 nan 0.000 0.563 212 Q N 1.177 120.673 119.800 -0.507 0.000 2.605 212 Q HA 0.258 4.599 4.340 0.001 0.000 0.228 212 Q C -1.284 174.533 176.000 -0.305 0.000 0.805 212 Q CA -0.630 55.013 55.803 -0.267 0.000 0.894 212 Q CB 0.999 29.689 28.738 -0.079 0.000 1.469 212 Q HN 0.094 nan 8.270 nan 0.000 0.445 213 R N 2.402 122.785 120.500 -0.195 0.000 2.539 213 R HA 0.174 4.514 4.340 0.001 0.000 0.275 213 R C 1.181 177.384 176.300 -0.162 0.000 1.077 213 R CA -0.089 55.903 56.100 -0.180 0.000 1.097 213 R CB 0.192 30.361 30.300 -0.218 0.000 1.018 213 R HN 0.730 nan 8.270 nan 0.000 0.483 214 W N 4.240 125.439 121.300 -0.168 0.000 2.388 214 W HA -0.136 4.525 4.660 0.001 0.000 0.294 214 W C 1.108 177.480 176.519 -0.245 0.000 1.212 214 W CA 0.981 58.215 57.345 -0.186 0.000 1.271 214 W CB -0.371 28.910 29.460 -0.299 0.000 1.126 214 W HN 0.594 nan 8.180 nan 0.000 0.535 215 R N 1.339 120.979 120.500 -1.432 0.000 2.115 215 R HA -0.129 4.212 4.340 0.001 0.000 0.226 215 R C 1.766 177.831 176.300 -0.391 0.000 1.100 215 R CA 2.155 57.428 56.100 -1.378 0.000 0.980 215 R CB -0.520 28.673 30.300 -1.846 0.000 0.875 215 R HN -0.112 nan 8.270 nan 0.000 0.445 216 D N 0.349 120.597 120.400 -0.254 0.000 2.097 216 D HA -0.193 4.448 4.640 0.001 0.000 0.197 216 D C 1.794 178.272 176.300 0.297 0.000 0.984 216 D CA 1.062 55.098 54.000 0.061 0.000 0.826 216 D CB -0.314 40.544 40.800 0.096 0.000 0.973 216 D HN 0.278 nan 8.370 nan 0.000 0.460 217 R N 0.032 120.680 120.500 0.246 0.000 2.083 217 R HA -0.161 4.180 4.340 0.001 0.000 0.237 217 R C 2.234 178.800 176.300 0.444 0.000 1.137 217 R CA 1.050 57.349 56.100 0.331 0.000 0.951 217 R CB -0.397 30.047 30.300 0.240 0.000 0.851 217 R HN 0.064 nan 8.270 nan 0.000 0.434 218 F N 1.200 121.273 119.950 0.205 0.000 2.126 218 F HA -0.199 4.328 4.527 0.001 0.000 0.299 218 F C 2.366 178.230 175.800 0.107 0.000 1.096 218 F CA 0.850 58.978 58.000 0.213 0.000 1.255 218 F CB -0.759 38.492 39.000 0.419 0.000 0.997 218 F HN 0.068 nan 8.300 nan 0.000 0.479 219 L N -1.527 119.891 121.223 0.325 0.000 1.994 219 L HA -0.259 4.082 4.340 0.001 0.000 0.208 219 L C 2.468 179.295 176.870 -0.071 0.000 1.071 219 L CA 1.882 56.762 54.840 0.067 0.000 0.745 219 L CB -0.661 41.348 42.059 -0.084 0.000 0.892 219 L HN 0.068 nan 8.230 nan 0.000 0.431 220 F N -0.986 119.010 119.950 0.078 0.000 2.186 220 F HA -0.155 4.372 4.527 0.001 0.000 0.299 220 F C 2.410 178.210 175.800 0.001 0.000 1.090 220 F CA 0.875 58.900 58.000 0.041 0.000 1.307 220 F CB -0.677 38.361 39.000 0.063 0.000 1.019 220 F HN -0.174 nan 8.300 nan 0.000 0.489 221 V N -0.201 119.808 119.914 0.158 0.000 2.427 221 V HA -0.286 3.834 4.120 0.001 0.000 0.248 221 V C 2.543 178.573 176.094 -0.106 0.000 1.051 221 V CA 1.679 63.963 62.300 -0.028 0.000 1.048 221 V CB -1.191 30.515 31.823 -0.194 0.000 0.666 221 V HN 0.349 nan 8.190 nan 0.000 0.456 222 A N -0.133 122.608 122.820 -0.131 0.000 1.933 222 A HA -0.307 4.014 4.320 0.001 0.000 0.218 222 A C 2.020 179.321 177.584 -0.472 0.000 1.175 222 A CA 2.225 54.076 52.037 -0.310 0.000 0.628 222 A CB -0.670 18.184 19.000 -0.245 0.000 0.814 222 A HN 0.600 nan 8.150 nan 0.000 0.444 223 D N -0.461 119.816 120.400 -0.204 0.000 2.117 223 D HA -0.018 4.622 4.640 0.001 0.000 0.197 223 D C 2.068 178.327 176.300 -0.069 0.000 0.987 223 D CA 1.465 55.406 54.000 -0.097 0.000 0.829 223 D CB -0.147 40.640 40.800 -0.021 0.000 0.961 223 D HN 0.358 nan 8.370 nan 0.000 0.460 224 A N -0.024 122.779 122.820 -0.028 0.000 1.933 224 A HA -0.110 4.210 4.320 0.001 0.000 0.218 224 A C 2.307 179.936 177.584 0.075 0.000 1.175 224 A CA 0.954 53.025 52.037 0.057 0.000 0.628 224 A CB -0.705 18.360 19.000 0.108 0.000 0.814 224 A HN 0.358 nan 8.150 nan 0.000 0.444 225 I N -1.237 119.310 120.570 -0.039 0.000 2.252 225 I HA -0.258 3.912 4.170 0.001 0.000 0.245 225 I C 2.367 178.521 176.117 0.061 0.000 1.102 225 I CA 1.501 62.794 61.300 -0.010 0.000 1.385 225 I CB -0.496 37.456 38.000 -0.080 0.000 1.064 225 I HN 0.479 nan 8.210 nan 0.000 0.414 226 H N 0.131 119.226 119.070 0.042 0.000 2.357 226 H HA -0.174 4.382 4.556 0.001 0.000 0.301 226 H C 2.277 177.623 175.328 0.031 0.000 1.082 226 H CA 1.165 57.228 56.048 0.025 0.000 1.342 226 H CB 0.085 29.849 29.762 0.004 0.000 1.389 226 H HN 0.187 nan 8.280 nan 0.000 0.511 227 K N 0.930 121.413 120.400 0.139 0.000 2.057 227 K HA -0.137 4.183 4.320 0.001 0.000 0.206 227 K C 2.454 179.163 176.600 0.182 0.000 1.050 227 K CA 1.527 57.857 56.287 0.071 0.000 0.935 227 K CB 0.074 32.486 32.500 -0.148 0.000 0.715 227 K HN 0.293 nan 8.250 nan 0.000 0.439 228 S N 0.180 116.042 115.700 0.271 0.000 2.406 228 S HA -0.194 4.276 4.470 0.001 0.000 0.228 228 S C 2.079 176.758 174.600 0.131 0.000 1.020 228 S CA 1.002 59.356 58.200 0.256 0.000 0.965 228 S CB -0.230 63.094 63.200 0.208 0.000 0.798 228 S HN 0.436 nan 8.310 nan 0.000 0.488 229 Q N 1.337 121.206 119.800 0.115 0.000 2.119 229 Q HA 0.051 4.391 4.340 0.001 0.000 0.201 229 Q C 2.219 178.260 176.000 0.067 0.000 0.972 229 Q CA 1.211 57.061 55.803 0.078 0.000 0.847 229 Q CB -0.537 28.255 28.738 0.090 0.000 0.903 229 Q HN 0.705 nan 8.270 nan 0.000 0.433 230 A N 0.645 123.513 122.820 0.080 0.000 1.930 230 A HA -0.187 4.134 4.320 0.001 0.000 0.217 230 A C 1.730 179.348 177.584 0.056 0.000 1.175 230 A CA 1.517 53.588 52.037 0.057 0.000 0.627 230 A CB -0.369 18.663 19.000 0.052 0.000 0.815 230 A HN 0.506 nan 8.150 nan 0.000 0.443 231 E N -0.896 119.352 120.200 0.080 0.000 2.158 231 E HA -0.096 4.255 4.350 0.001 0.000 0.191 231 E C 2.058 178.688 176.600 0.049 0.000 0.982 231 E CA 1.479 57.924 56.400 0.075 0.000 0.823 231 E CB -0.069 29.703 29.700 0.120 0.000 0.766 231 E HN 0.833 nan 8.360 nan 0.000 0.468 232 T N -3.703 110.877 114.554 0.042 0.000 3.015 232 T HA 0.219 4.570 4.350 0.001 0.000 0.250 232 T C 1.602 176.310 174.700 0.014 0.000 1.057 232 T CA 0.412 62.525 62.100 0.021 0.000 1.066 232 T CB 0.625 69.498 68.868 0.008 0.000 0.959 232 T HN 0.213 nan 8.240 nan 0.000 0.488 233 G N 1.382 110.193 108.800 0.018 0.000 2.160 233 G HA2 -0.213 3.747 3.960 0.001 0.000 0.251 233 G HA3 -0.213 3.747 3.960 0.001 0.000 0.251 233 G C -0.323 174.579 174.900 0.002 0.000 1.008 233 G CA 0.277 45.384 45.100 0.012 0.000 0.724 233 G HN 0.685 nan 8.290 nan 0.000 0.514 234 E N -0.526 119.671 120.200 -0.005 0.000 2.288 234 E HA 0.512 4.863 4.350 0.001 0.000 0.268 234 E C 0.307 176.890 176.600 -0.028 0.000 0.885 234 E CA -1.294 55.091 56.400 -0.025 0.000 0.767 234 E CB 1.507 31.181 29.700 -0.043 0.000 1.220 234 E HN 0.050 nan 8.360 nan 0.000 0.427 235 I N 2.894 123.439 120.570 -0.043 0.000 2.668 235 I HA -0.012 4.158 4.170 0.001 0.000 0.285 235 I C 0.266 176.340 176.117 -0.070 0.000 1.168 235 I CA 0.501 61.779 61.300 -0.036 0.000 1.424 235 I CB -0.424 37.550 38.000 -0.042 0.000 1.377 235 I HN 0.302 nan 8.210 nan 0.000 0.560 236 K N 4.688 125.078 120.400 -0.017 0.000 2.267 236 K HA 0.795 5.115 4.320 0.001 0.000 0.246 236 K C -0.015 176.635 176.600 0.084 0.000 0.954 236 K CA -0.659 55.618 56.287 -0.016 0.000 0.824 236 K CB 2.475 34.989 32.500 0.024 0.000 1.167 236 K HN 0.803 nan 8.250 nan 0.000 0.431 237 G N 0.348 109.258 108.800 0.183 0.000 2.690 237 G HA2 0.404 4.365 3.960 0.001 0.000 0.291 237 G HA3 0.404 4.365 3.960 0.001 0.000 0.291 237 G C -1.849 173.260 174.900 0.348 0.000 1.403 237 G CA -0.264 45.054 45.100 0.364 0.000 0.864 237 G HN 0.555 nan 8.290 nan 0.000 0.480 238 H N 0.564 119.712 119.070 0.129 0.000 2.934 238 H HA 0.305 4.862 4.556 0.001 0.000 0.340 238 H C -1.161 174.189 175.328 0.036 0.000 1.008 238 H CA -0.579 55.464 56.048 -0.009 0.000 1.317 238 H CB 1.339 31.097 29.762 -0.007 0.000 1.670 238 H HN 0.371 nan 8.280 nan 0.000 0.516 239 Y N 5.639 125.711 120.300 -0.380 0.000 2.680 239 Y HA 0.113 4.663 4.550 0.001 0.000 0.356 239 Y C 0.675 176.486 175.900 -0.148 0.000 1.122 239 Y CA -0.602 57.342 58.100 -0.260 0.000 1.509 239 Y CB -0.574 37.686 38.460 -0.334 0.000 1.245 239 Y HN 0.337 nan 8.280 nan 0.000 0.513 240 L N 3.826 125.106 121.223 0.094 0.000 2.361 240 L HA 0.150 4.490 4.340 0.001 0.000 0.278 240 L C 0.719 177.638 176.870 0.083 0.000 1.113 240 L CA 0.053 54.880 54.840 -0.022 0.000 0.849 240 L CB 0.307 42.004 42.059 -0.603 0.000 1.155 240 L HN 0.619 nan 8.230 nan 0.000 0.452 241 N N 2.137 120.960 118.700 0.204 0.000 2.416 241 N HA 0.102 4.842 4.740 0.001 0.000 0.265 241 N C 0.812 176.484 175.510 0.269 0.000 1.195 241 N CA -0.412 52.769 53.050 0.218 0.000 0.943 241 N CB 0.937 39.535 38.487 0.185 0.000 1.115 241 N HN 0.527 nan 8.380 nan 0.000 0.481 242 V N 0.466 120.499 119.914 0.198 0.000 3.621 242 V HA 0.149 4.270 4.120 0.001 0.000 0.285 242 V C 0.633 176.757 176.094 0.050 0.000 1.346 242 V CA -0.204 62.154 62.300 0.096 0.000 1.104 242 V CB -0.244 31.582 31.823 0.004 0.000 0.913 242 V HN 0.419 nan 8.190 nan 0.000 0.432 243 T N 3.254 117.896 114.554 0.147 0.000 2.866 243 T HA 0.502 4.852 4.350 0.001 0.000 0.293 243 T C 0.192 174.888 174.700 -0.007 0.000 1.005 243 T CA 1.175 63.341 62.100 0.110 0.000 1.162 243 T CB 0.363 69.232 68.868 0.002 0.000 0.968 243 T HN 1.035 nan 8.240 nan 0.000 0.530 244 A N 5.279 128.086 122.820 -0.022 0.000 2.569 244 A HA 0.788 5.108 4.320 0.001 0.000 0.290 244 A C -1.681 175.866 177.584 -0.063 0.000 1.136 244 A CA -1.347 50.636 52.037 -0.090 0.000 0.710 244 A CB 0.811 19.712 19.000 -0.165 0.000 1.303 244 A HN 0.529 nan 8.150 nan 0.000 0.413 245 P HA 0.022 nan 4.420 nan 0.000 0.219 245 P C 0.573 177.845 177.300 -0.046 0.000 1.150 245 P CA 1.883 64.951 63.100 -0.053 0.000 0.814 245 P CB -0.050 31.619 31.700 -0.051 0.000 0.787 246 T N -4.789 109.730 114.554 -0.059 0.000 2.883 246 T HA 0.316 4.666 4.350 0.001 0.000 0.296 246 T C 1.029 175.690 174.700 -0.065 0.000 1.117 246 T CA -0.656 61.413 62.100 -0.051 0.000 1.006 246 T CB 1.046 69.883 68.868 -0.052 0.000 1.191 246 T HN -0.098 nan 8.240 nan 0.000 0.508 247 C N 0.600 119.868 119.300 -0.053 0.000 2.413 247 C HA -0.037 4.424 4.460 0.001 0.000 0.277 247 C C 2.640 177.568 174.990 -0.104 0.000 1.265 247 C CA 1.013 59.989 59.018 -0.070 0.000 1.752 247 C CB -1.368 26.345 27.740 -0.045 0.000 1.998 247 C HN 1.012 nan 8.230 nan 0.000 0.489 248 E N 0.812 120.958 120.200 -0.089 0.000 2.051 248 E HA -0.144 4.207 4.350 0.001 0.000 0.192 248 E C 2.268 178.783 176.600 -0.143 0.000 0.991 248 E CA 0.963 57.305 56.400 -0.098 0.000 0.799 248 E CB -0.285 29.374 29.700 -0.067 0.000 0.748 248 E HN 0.515 nan 8.360 nan 0.000 0.449 249 E N 0.166 120.273 120.200 -0.155 0.000 2.072 249 E HA -0.162 4.188 4.350 0.001 0.000 0.191 249 E C 2.022 178.429 176.600 -0.322 0.000 0.985 249 E CA 0.750 57.012 56.400 -0.231 0.000 0.801 249 E CB -0.276 29.299 29.700 -0.208 0.000 0.750 249 E HN 0.315 nan 8.360 nan 0.000 0.452 250 M N -0.226 119.223 119.600 -0.252 0.000 2.082 250 M HA -0.217 4.263 4.480 0.001 0.000 0.258 250 M C 1.971 178.057 176.300 -0.357 0.000 1.069 250 M CA 1.512 56.649 55.300 -0.272 0.000 1.102 250 M CB -0.012 32.469 32.600 -0.198 0.000 1.336 250 M HN 0.037 nan 8.290 nan 0.000 0.404 251 M N -0.122 119.277 119.600 -0.335 0.000 2.200 251 M HA -0.164 4.316 4.480 0.001 0.000 0.265 251 M C 2.099 178.181 176.300 -0.364 0.000 1.066 251 M CA 1.465 56.513 55.300 -0.419 0.000 1.127 251 M CB -1.183 31.236 32.600 -0.301 0.000 1.379 251 M HN 0.368 nan 8.290 nan 0.000 0.420 252 K N 0.453 120.684 120.400 -0.282 0.000 2.097 252 K HA -0.157 4.164 4.320 0.001 0.000 0.206 252 K C 2.040 178.476 176.600 -0.274 0.000 1.049 252 K CA 1.310 57.474 56.287 -0.206 0.000 0.933 252 K CB 0.116 32.507 32.500 -0.182 0.000 0.717 252 K HN 0.269 nan 8.250 nan 0.000 0.442 253 R N -0.234 119.931 120.500 -0.559 0.000 2.073 253 R HA 0.000 4.341 4.340 0.001 0.000 0.229 253 R C 2.407 178.671 176.300 -0.060 0.000 1.120 253 R CA 0.987 56.683 56.100 -0.673 0.000 0.967 253 R CB -0.266 29.478 30.300 -0.925 0.000 0.862 253 R HN 0.185 nan 8.270 nan 0.000 0.436 254 A N 1.155 123.824 122.820 -0.251 0.000 1.940 254 A HA -0.226 4.095 4.320 0.001 0.000 0.219 254 A C 1.973 179.448 177.584 -0.182 0.000 1.176 254 A CA 1.612 53.427 52.037 -0.370 0.000 0.631 254 A CB -0.318 18.036 19.000 -1.077 0.000 0.814 254 A HN 0.212 nan 8.150 nan 0.000 0.446 255 E N -1.205 118.919 120.200 -0.128 0.000 2.077 255 E HA -0.133 4.217 4.350 0.001 0.000 0.193 255 E C 1.598 178.417 176.600 0.365 0.000 0.989 255 E CA 1.191 57.709 56.400 0.197 0.000 0.800 255 E CB -0.335 29.448 29.700 0.138 0.000 0.746 255 E HN 0.575 nan 8.360 nan 0.000 0.452 256 F N 0.465 120.561 119.950 0.243 0.000 2.186 256 F HA 0.016 4.544 4.527 0.001 0.000 0.299 256 F C 1.954 177.993 175.800 0.399 0.000 1.090 256 F CA 1.193 59.393 58.000 0.334 0.000 1.307 256 F CB -0.711 38.556 39.000 0.445 0.000 1.019 256 F HN 0.066 nan 8.300 nan 0.000 0.489 257 A N 0.226 123.292 122.820 0.410 0.000 1.908 257 A HA -0.249 4.071 4.320 0.001 0.000 0.218 257 A C 2.402 180.064 177.584 0.131 0.000 1.181 257 A CA 1.902 54.057 52.037 0.198 0.000 0.627 257 A CB -0.837 18.288 19.000 0.208 0.000 0.818 257 A HN 0.406 nan 8.150 nan 0.000 0.445 258 K N -0.429 120.129 120.400 0.264 0.000 2.057 258 K HA -0.182 4.138 4.320 0.001 0.000 0.206 258 K C 2.072 178.750 176.600 0.130 0.000 1.050 258 K CA 1.578 58.006 56.287 0.235 0.000 0.935 258 K CB -0.177 32.549 32.500 0.376 0.000 0.715 258 K HN 0.649 nan 8.250 nan 0.000 0.439 259 E N 0.556 120.834 120.200 0.130 0.000 2.118 259 E HA -0.169 4.181 4.350 0.001 0.000 0.195 259 E C 1.782 178.370 176.600 -0.019 0.000 0.992 259 E CA 0.860 57.311 56.400 0.085 0.000 0.804 259 E CB 0.036 29.844 29.700 0.179 0.000 0.741 259 E HN 0.321 nan 8.360 nan 0.000 0.458 260 L N -0.531 120.605 121.223 -0.145 0.000 2.554 260 L HA 0.110 4.450 4.340 0.001 0.000 0.226 260 L C 1.312 178.180 176.870 -0.004 0.000 1.137 260 L CA 0.423 55.176 54.840 -0.144 0.000 0.863 260 L CB 0.039 41.916 42.059 -0.302 0.000 0.985 260 L HN 0.375 nan 8.230 nan 0.000 0.451 261 G N 0.111 108.924 108.800 0.022 0.000 2.176 261 G HA2 -0.258 3.703 3.960 0.001 0.000 0.252 261 G HA3 -0.258 3.703 3.960 0.001 0.000 0.252 261 G C 0.253 175.190 174.900 0.061 0.000 1.024 261 G CA -0.206 44.926 45.100 0.054 0.000 0.755 261 G HN 0.102 nan 8.290 nan 0.000 0.507 262 M N 0.381 120.004 119.600 0.039 0.000 2.200 262 M HA 0.208 4.688 4.480 0.001 0.000 0.355 262 M C -0.499 175.836 176.300 0.058 0.000 1.283 262 M CA -2.031 53.291 55.300 0.036 0.000 1.124 262 M CB 0.746 33.341 32.600 -0.009 0.000 1.625 262 M HN 0.044 nan 8.290 nan 0.000 0.463 263 P HA 0.176 nan 4.420 nan 0.000 0.231 263 P C 0.061 177.385 177.300 0.041 0.000 1.168 263 P CA 0.796 63.928 63.100 0.055 0.000 0.779 263 P CB 0.975 32.727 31.700 0.085 0.000 0.844 264 I N -0.170 120.438 120.570 0.063 0.000 2.722 264 I HA 0.353 4.523 4.170 0.001 0.000 0.292 264 I C -1.267 174.878 176.117 0.047 0.000 1.267 264 I CA -1.463 59.851 61.300 0.023 0.000 1.036 264 I CB 2.254 40.251 38.000 -0.006 0.000 1.281 264 I HN -0.256 nan 8.210 nan 0.000 0.423 265 I N 4.394 124.979 120.570 0.025 0.000 3.206 265 I HA 0.689 4.859 4.170 0.001 0.000 0.313 265 I C -0.954 175.184 176.117 0.036 0.000 1.103 265 I CA -0.990 60.341 61.300 0.052 0.000 0.985 265 I CB 2.203 40.253 38.000 0.084 0.000 1.240 265 I HN 0.710 nan 8.210 nan 0.000 0.464 266 M N 1.624 121.289 119.600 0.108 0.000 2.690 266 M HA 0.652 5.132 4.480 0.001 0.000 0.302 266 M C -1.619 174.809 176.300 0.213 0.000 1.234 266 M CA -0.515 54.881 55.300 0.160 0.000 0.853 266 M CB 2.345 35.112 32.600 0.279 0.000 1.748 266 M HN 0.781 nan 8.290 nan 0.000 0.469 267 H N -0.124 118.983 119.070 0.062 0.000 2.947 267 H HA 0.424 4.980 4.556 0.001 0.000 0.354 267 H C -1.993 173.381 175.328 0.076 0.000 1.085 267 H CA -0.527 55.547 56.048 0.043 0.000 1.253 267 H CB 1.683 31.455 29.762 0.017 0.000 1.757 267 H HN 0.769 nan 8.280 nan 0.000 0.523 268 D N 6.066 126.263 120.400 -0.339 0.000 2.453 268 D HA 0.022 4.662 4.640 0.001 0.000 0.223 268 D C 1.127 177.190 176.300 -0.395 0.000 1.183 268 D CA -0.213 53.649 54.000 -0.230 0.000 0.933 268 D CB -0.267 40.413 40.800 -0.200 0.000 1.038 268 D HN 0.521 nan 8.370 nan 0.000 0.513 269 F N 0.877 120.585 119.950 -0.402 0.000 2.293 269 F HA -0.041 4.486 4.527 0.001 0.000 0.300 269 F C 1.241 176.763 175.800 -0.464 0.000 1.086 269 F CA 0.722 58.475 58.000 -0.413 0.000 1.375 269 F CB -0.427 38.376 39.000 -0.328 0.000 1.045 269 F HN 0.171 nan 8.300 nan 0.000 0.516 270 L N 0.518 121.132 121.223 -1.015 0.000 2.202 270 L HA -0.041 4.299 4.340 0.001 0.000 0.205 270 L C 2.660 179.265 176.870 -0.440 0.000 1.083 270 L CA 1.417 55.727 54.840 -0.883 0.000 0.790 270 L CB -0.893 40.640 42.059 -0.876 0.000 0.942 270 L HN 0.365 nan 8.230 nan 0.000 0.452 271 T N -3.050 111.303 114.554 -0.335 0.000 2.985 271 T HA 0.071 4.421 4.350 0.001 0.000 0.266 271 T C 1.791 176.380 174.700 -0.185 0.000 1.076 271 T CA 0.724 62.695 62.100 -0.215 0.000 1.135 271 T CB 0.027 68.796 68.868 -0.165 0.000 0.890 271 T HN 0.241 nan 8.240 nan 0.000 0.480 272 A N 1.561 124.240 122.820 -0.234 0.000 1.878 272 A HA 0.621 4.942 4.320 0.001 0.000 0.213 272 A C 1.487 179.020 177.584 -0.085 0.000 1.192 272 A CA 0.721 52.671 52.037 -0.145 0.000 0.619 272 A CB -0.800 18.084 19.000 -0.195 0.000 0.837 272 A HN 1.435 nan 8.150 nan 0.000 0.446 273 G N -3.155 105.554 108.800 -0.152 0.000 2.539 273 G HA2 0.047 4.007 3.960 0.001 0.000 0.686 273 G HA3 0.047 4.007 3.960 0.001 0.000 0.686 273 G C -0.061 174.827 174.900 -0.019 0.000 1.258 273 G CA -0.226 44.812 45.100 -0.103 0.000 0.846 273 G HN 0.218 nan 8.290 nan 0.000 0.647 274 F N 0.479 120.484 119.950 0.091 0.000 2.234 274 F HA 0.043 4.571 4.527 0.001 0.000 0.299 274 F C 3.049 178.920 175.800 0.120 0.000 1.087 274 F CA 2.207 60.291 58.000 0.140 0.000 1.340 274 F CB -0.222 38.853 39.000 0.124 0.000 1.031 274 F HN 0.536 nan 8.300 nan 0.000 0.500 275 T N -0.439 114.272 114.554 0.262 0.000 2.777 275 T HA -0.137 4.214 4.350 0.001 0.000 0.266 275 T C 2.315 177.093 174.700 0.129 0.000 1.040 275 T CA 1.302 63.503 62.100 0.168 0.000 1.141 275 T CB -0.556 68.382 68.868 0.116 0.000 0.868 275 T HN 0.262 nan 8.240 nan 0.000 0.444 276 A N 1.960 124.853 122.820 0.122 0.000 1.898 276 A HA -0.110 4.211 4.320 0.001 0.000 0.216 276 A C 2.257 179.893 177.584 0.086 0.000 1.181 276 A CA 1.456 53.548 52.037 0.091 0.000 0.620 276 A CB -0.760 18.312 19.000 0.121 0.000 0.819 276 A HN 0.521 nan 8.150 nan 0.000 0.442 277 N N -0.402 118.420 118.700 0.204 0.000 2.120 277 N HA -0.148 4.592 4.740 0.001 0.000 0.188 277 N C 1.589 177.175 175.510 0.126 0.000 1.024 277 N CA 2.052 55.221 53.050 0.198 0.000 0.852 277 N CB -0.161 38.501 38.487 0.291 0.000 1.003 277 N HN 0.421 nan 8.380 nan 0.000 0.424 278 T N -0.163 114.494 114.554 0.172 0.000 2.788 278 T HA -0.074 4.277 4.350 0.001 0.000 0.268 278 T C 1.824 176.579 174.700 0.092 0.000 1.044 278 T CA 1.465 63.653 62.100 0.147 0.000 1.139 278 T CB -0.517 68.454 68.868 0.172 0.000 0.867 278 T HN 0.308 nan 8.240 nan 0.000 0.454 279 T N 2.187 116.783 114.554 0.070 0.000 2.684 279 T HA -0.058 4.292 4.350 0.001 0.000 0.267 279 T C 1.857 176.591 174.700 0.058 0.000 1.036 279 T CA 0.925 63.056 62.100 0.050 0.000 1.148 279 T CB -0.423 68.454 68.868 0.016 0.000 0.863 279 T HN 0.114 nan 8.240 nan 0.000 0.436 280 L N 1.137 122.354 121.223 -0.010 0.000 2.056 280 L HA 0.163 4.503 4.340 0.001 0.000 0.207 280 L C 2.582 179.516 176.870 0.108 0.000 1.078 280 L CA 1.735 56.563 54.840 -0.019 0.000 0.749 280 L CB -0.984 40.917 42.059 -0.264 0.000 0.901 280 L HN 0.215 nan 8.230 nan 0.000 0.433 281 A N -0.639 122.219 122.820 0.064 0.000 1.933 281 A HA -0.177 4.143 4.320 0.001 0.000 0.218 281 A C 2.211 179.829 177.584 0.056 0.000 1.175 281 A CA 1.601 53.671 52.037 0.055 0.000 0.628 281 A CB -0.436 18.586 19.000 0.037 0.000 0.814 281 A HN 0.412 nan 8.150 nan 0.000 0.444 282 K N -1.479 118.969 120.400 0.079 0.000 2.057 282 K HA -0.176 4.145 4.320 0.001 0.000 0.206 282 K C 1.781 178.427 176.600 0.076 0.000 1.050 282 K CA 1.316 57.638 56.287 0.058 0.000 0.935 282 K CB -0.558 31.981 32.500 0.065 0.000 0.715 282 K HN 0.756 nan 8.250 nan 0.000 0.439 283 W N 1.822 123.107 121.300 -0.025 0.000 2.358 283 W HA -0.253 4.407 4.660 0.001 0.000 0.303 283 W C 2.103 178.620 176.519 -0.004 0.000 1.208 283 W CA 1.334 58.670 57.345 -0.015 0.000 1.274 283 W CB -0.400 29.048 29.460 -0.021 0.000 1.138 283 W HN 0.022 nan 8.180 nan 0.000 0.515 284 C N 0.111 119.511 119.300 0.167 0.000 2.413 284 C HA -0.169 4.291 4.460 0.001 0.000 0.276 284 C C 2.717 177.638 174.990 -0.116 0.000 1.248 284 C CA 1.496 60.532 59.018 0.029 0.000 1.742 284 C CB -1.533 26.308 27.740 0.168 0.000 2.017 284 C HN 0.437 nan 8.230 nan 0.000 0.481 285 R N 1.340 121.750 120.500 -0.151 0.000 2.081 285 R HA -0.094 4.246 4.340 0.001 0.000 0.235 285 R C 1.548 177.741 176.300 -0.180 0.000 1.131 285 R CA 1.821 57.791 56.100 -0.216 0.000 0.960 285 R CB -0.552 29.639 30.300 -0.181 0.000 0.856 285 R HN 0.428 nan 8.270 nan 0.000 0.436 286 D N -0.474 119.793 120.400 -0.223 0.000 2.317 286 D HA -0.027 4.614 4.640 0.001 0.000 0.211 286 D C 0.444 176.555 176.300 -0.316 0.000 0.966 286 D CA 0.761 54.624 54.000 -0.229 0.000 0.876 286 D CB 0.093 40.768 40.800 -0.208 0.000 0.927 286 D HN 0.312 nan 8.370 nan 0.000 0.519 287 N N -0.707 117.705 118.700 -0.480 0.000 2.159 287 N HA 0.096 4.836 4.740 0.001 0.000 0.217 287 N C 0.833 176.162 175.510 -0.301 0.000 1.223 287 N CA 0.347 53.075 53.050 -0.537 0.000 0.896 287 N CB 1.828 39.601 38.487 -1.191 0.000 1.064 287 N HN 0.047 nan 8.380 nan 0.000 0.518 288 G N 1.312 110.034 108.800 -0.131 0.000 2.221 288 G HA2 -0.246 3.714 3.960 0.001 0.000 0.265 288 G HA3 -0.246 3.714 3.960 0.001 0.000 0.265 288 G C -0.173 174.702 174.900 -0.042 0.000 1.041 288 G CA 0.262 45.376 45.100 0.024 0.000 0.807 288 G HN 0.155 nan 8.290 nan 0.000 0.502 289 V N 0.904 120.823 119.914 0.008 0.000 2.435 289 V HA 0.579 4.700 4.120 0.001 0.000 0.290 289 V C 1.011 177.165 176.094 0.099 0.000 1.030 289 V CA -0.902 61.420 62.300 0.037 0.000 0.881 289 V CB 1.730 33.641 31.823 0.147 0.000 0.983 289 V HN 0.340 nan 8.190 nan 0.000 0.445 290 L N 4.555 125.750 121.223 -0.047 0.000 2.436 290 L HA 0.379 4.720 4.340 0.001 0.000 0.265 290 L C -0.395 176.438 176.870 -0.060 0.000 1.168 290 L CA -0.249 54.554 54.840 -0.061 0.000 0.815 290 L CB 0.760 42.712 42.059 -0.179 0.000 1.109 290 L HN 0.437 nan 8.230 nan 0.000 0.462 291 L N 2.472 123.632 121.223 -0.104 0.000 2.342 291 L HA 0.346 4.686 4.340 0.001 0.000 0.276 291 L C -0.615 176.081 176.870 -0.290 0.000 0.997 291 L CA -0.251 54.515 54.840 -0.123 0.000 0.838 291 L CB 0.983 43.023 42.059 -0.030 0.000 1.224 291 L HN 0.475 nan 8.230 nan 0.000 0.416 292 H N 5.436 124.222 119.070 -0.473 0.000 2.527 292 H HA 0.565 5.121 4.556 0.001 0.000 0.321 292 H C -0.872 174.335 175.328 -0.202 0.000 1.087 292 H CA -0.480 55.240 56.048 -0.547 0.000 1.337 292 H CB 0.778 29.932 29.762 -1.013 0.000 1.440 292 H HN 0.500 nan 8.280 nan 0.000 0.490 293 I N 5.865 126.062 120.570 -0.621 0.000 2.339 293 I HA 0.107 4.277 4.170 0.001 0.000 0.290 293 I C 0.129 176.029 176.117 -0.362 0.000 0.994 293 I CA -0.422 60.663 61.300 -0.359 0.000 1.191 293 I CB 0.831 38.614 38.000 -0.362 0.000 1.343 293 I HN 0.723 nan 8.210 nan 0.000 0.458 294 H N 7.291 126.235 119.070 -0.210 0.000 2.502 294 H HA 0.290 4.846 4.556 0.001 0.000 0.327 294 H C 0.222 175.520 175.328 -0.051 0.000 1.099 294 H CA -0.402 55.489 56.048 -0.261 0.000 1.323 294 H CB 1.262 30.927 29.762 -0.163 0.000 1.450 294 H HN 0.505 nan 8.280 nan 0.000 0.502 295 R N 2.954 123.260 120.500 -0.324 0.000 2.555 295 R HA 0.374 4.714 4.340 0.001 0.000 0.272 295 R C 0.513 176.831 176.300 0.030 0.000 1.089 295 R CA -0.250 55.865 56.100 0.025 0.000 1.126 295 R CB -0.093 30.142 30.300 -0.109 0.000 1.250 295 R HN 0.375 nan 8.270 nan 0.000 0.551 296 A N 1.458 124.388 122.820 0.184 0.000 2.580 296 A HA 0.102 4.422 4.320 0.001 0.000 0.244 296 A C 0.931 178.517 177.584 0.004 0.000 1.045 296 A CA 0.932 53.072 52.037 0.172 0.000 0.761 296 A CB -0.277 18.806 19.000 0.138 0.000 0.962 296 A HN 0.842 nan 8.150 nan 0.000 0.512 297 M N 0.568 120.168 119.600 0.001 0.000 3.035 297 M HA -0.280 4.201 4.480 0.001 0.000 0.218 297 M C 0.978 177.220 176.300 -0.097 0.000 0.567 297 M CA 1.792 57.045 55.300 -0.078 0.000 0.833 297 M CB -2.040 30.490 32.600 -0.117 0.000 2.966 297 M HN 1.254 nan 8.290 nan 0.000 0.300 298 H N -0.757 118.250 119.070 -0.104 0.000 2.422 298 H HA 0.262 4.818 4.556 0.001 0.000 0.298 298 H C 1.697 177.002 175.328 -0.038 0.000 1.098 298 H CA 1.892 57.909 56.048 -0.052 0.000 1.315 298 H CB -0.424 29.363 29.762 0.043 0.000 1.382 298 H HN 0.491 nan 8.280 nan 0.000 0.523 299 A N 1.121 123.411 122.820 -0.884 0.000 2.119 299 A HA 0.026 4.346 4.320 0.001 0.000 0.217 299 A C 2.436 179.865 177.584 -0.259 0.000 1.153 299 A CA 0.914 52.582 52.037 -0.615 0.000 0.692 299 A CB -0.632 18.015 19.000 -0.589 0.000 0.799 299 A HN 0.352 nan 8.150 nan 0.000 0.458 300 V N -0.183 119.615 119.914 -0.195 0.000 2.594 300 V HA -0.244 3.877 4.120 0.001 0.000 0.253 300 V C 2.162 178.217 176.094 -0.065 0.000 1.069 300 V CA 2.096 64.333 62.300 -0.105 0.000 1.082 300 V CB -0.528 31.242 31.823 -0.088 0.000 0.680 300 V HN 0.618 nan 8.190 nan 0.000 0.469 301 I N 0.342 120.868 120.570 -0.073 0.000 3.172 301 I HA 0.014 4.184 4.170 0.001 0.000 0.278 301 I C 1.669 177.784 176.117 -0.004 0.000 1.174 301 I CA 0.968 62.249 61.300 -0.032 0.000 1.445 301 I CB -0.020 37.959 38.000 -0.035 0.000 1.175 301 I HN 0.443 nan 8.210 nan 0.000 0.447 302 D N -0.238 120.148 120.400 -0.023 0.000 2.433 302 D HA -0.030 4.610 4.640 0.001 0.000 0.211 302 D C 1.786 178.075 176.300 -0.019 0.000 1.114 302 D CA -0.063 53.937 54.000 -0.000 0.000 0.837 302 D CB 0.003 40.836 40.800 0.055 0.000 0.984 302 D HN 0.006 nan 8.370 nan 0.000 0.505 303 R N 0.155 120.637 120.500 -0.029 0.000 2.062 303 R HA 0.039 4.379 4.340 0.001 0.000 0.226 303 R C 0.410 176.735 176.300 0.041 0.000 1.125 303 R CA 0.975 57.065 56.100 -0.016 0.000 0.966 303 R CB -0.003 30.266 30.300 -0.051 0.000 0.861 303 R HN 0.018 nan 8.270 nan 0.000 0.433 304 Q N 0.900 120.738 119.800 0.062 0.000 2.261 304 Q HA 0.080 4.420 4.340 0.001 0.000 0.252 304 Q C 0.269 176.348 176.000 0.132 0.000 0.915 304 Q CA -0.015 55.843 55.803 0.092 0.000 0.915 304 Q CB 1.472 30.267 28.738 0.093 0.000 1.204 304 Q HN 0.456 nan 8.270 nan 0.000 0.421 305 R N 0.823 121.405 120.500 0.138 0.000 2.310 305 R HA 0.012 4.352 4.340 0.001 0.000 0.202 305 R C 0.799 177.192 176.300 0.154 0.000 0.933 305 R CA 0.611 56.811 56.100 0.167 0.000 1.054 305 R CB 0.000 30.402 30.300 0.170 0.000 0.985 305 R HN 0.468 nan 8.270 nan 0.000 0.489 306 N N 0.238 119.027 118.700 0.148 0.000 2.405 306 N HA -0.097 4.643 4.740 0.001 0.000 0.175 306 N C -0.397 175.254 175.510 0.234 0.000 1.051 306 N CA 0.464 53.603 53.050 0.149 0.000 0.899 306 N CB 0.085 38.643 38.487 0.117 0.000 1.000 306 N HN 0.385 nan 8.380 nan 0.000 0.451 307 H N -1.230 117.927 119.070 0.145 0.000 3.026 307 H HA 0.560 5.117 4.556 0.001 0.000 0.352 307 H C -0.008 175.451 175.328 0.219 0.000 1.090 307 H CA 0.403 56.574 56.048 0.204 0.000 1.268 307 H CB 1.454 31.318 29.762 0.170 0.000 1.816 307 H HN 0.359 nan 8.280 nan 0.000 0.518 308 G N 2.565 111.392 108.800 0.045 0.000 2.250 308 G HA2 0.016 3.977 3.960 0.001 0.000 0.252 308 G HA3 0.016 3.977 3.960 0.001 0.000 0.252 308 G C -1.609 173.352 174.900 0.102 0.000 1.325 308 G CA -0.348 44.785 45.100 0.055 0.000 1.091 308 G HN 0.627 nan 8.290 nan 0.000 0.476 309 I N 1.006 121.602 120.570 0.043 0.000 2.498 309 I HA 0.340 4.510 4.170 0.001 0.000 0.290 309 I C 0.189 176.367 176.117 0.102 0.000 1.032 309 I CA -0.904 60.437 61.300 0.068 0.000 1.073 309 I CB 1.986 39.983 38.000 -0.005 0.000 1.251 309 I HN 0.654 nan 8.210 nan 0.000 0.426 310 H N 4.816 123.929 119.070 0.071 0.000 2.790 310 H HA 0.006 4.563 4.556 0.001 0.000 0.358 310 H C 0.436 175.823 175.328 0.099 0.000 1.103 310 H CA 0.577 56.695 56.048 0.118 0.000 1.426 310 H CB 1.075 30.910 29.762 0.122 0.000 1.424 310 H HN 0.648 nan 8.280 nan 0.000 0.599 311 F N 5.176 124.907 119.950 -0.366 0.000 2.202 311 F HA -0.203 4.325 4.527 0.001 0.000 0.301 311 F C 2.652 178.375 175.800 -0.129 0.000 1.082 311 F CA 1.748 59.611 58.000 -0.228 0.000 1.313 311 F CB -0.123 38.629 39.000 -0.414 0.000 1.024 311 F HN 0.661 nan 8.300 nan 0.000 0.495 312 R N -0.166 120.381 120.500 0.078 0.000 2.189 312 R HA -0.087 4.254 4.340 0.001 0.000 0.223 312 R C 1.659 177.944 176.300 -0.025 0.000 1.092 312 R CA 1.710 57.822 56.100 0.018 0.000 0.989 312 R CB -1.051 29.481 30.300 0.388 0.000 0.876 312 R HN 0.315 nan 8.270 nan 0.000 0.457 313 V N 1.739 121.659 119.914 0.009 0.000 2.379 313 V HA -0.154 3.966 4.120 0.001 0.000 0.245 313 V C 2.462 178.536 176.094 -0.033 0.000 1.044 313 V CA 1.339 63.653 62.300 0.024 0.000 1.036 313 V CB -0.337 31.497 31.823 0.020 0.000 0.664 313 V HN 0.264 nan 8.190 nan 0.000 0.453 314 L N 0.236 121.366 121.223 -0.155 0.000 2.093 314 L HA -0.126 4.215 4.340 0.001 0.000 0.208 314 L C 2.738 179.461 176.870 -0.245 0.000 1.085 314 L CA 1.457 56.241 54.840 -0.095 0.000 0.755 314 L CB -0.829 41.182 42.059 -0.081 0.000 0.904 314 L HN 0.359 nan 8.230 nan 0.000 0.435 315 A N 0.304 122.728 122.820 -0.659 0.000 1.877 315 A HA -0.207 4.113 4.320 0.001 0.000 0.216 315 A C 2.355 179.813 177.584 -0.210 0.000 1.186 315 A CA 1.602 53.319 52.037 -0.533 0.000 0.620 315 A CB -0.324 18.313 19.000 -0.606 0.000 0.822 315 A HN 0.293 nan 8.150 nan 0.000 0.443 316 K N -0.774 119.594 120.400 -0.053 0.000 2.026 316 K HA -0.160 4.161 4.320 0.001 0.000 0.208 316 K C 2.096 178.646 176.600 -0.085 0.000 1.048 316 K CA 1.516 57.883 56.287 0.132 0.000 0.929 316 K CB -0.494 32.207 32.500 0.334 0.000 0.713 316 K HN 0.566 nan 8.250 nan 0.000 0.439 317 C N 1.108 120.347 119.300 -0.102 0.000 2.425 317 C HA -0.084 4.376 4.460 0.001 0.000 0.277 317 C C 2.496 177.422 174.990 -0.106 0.000 1.280 317 C CA 0.309 59.199 59.018 -0.214 0.000 1.744 317 C CB -0.768 26.893 27.740 -0.130 0.000 1.989 317 C HN 0.487 nan 8.230 nan 0.000 0.491 318 L N 1.574 122.776 121.223 -0.034 0.000 2.056 318 L HA -0.096 4.244 4.340 0.001 0.000 0.207 318 L C 2.727 179.467 176.870 -0.218 0.000 1.078 318 L CA 1.900 56.641 54.840 -0.165 0.000 0.749 318 L CB -0.995 40.718 42.059 -0.577 0.000 0.901 318 L HN 0.362 nan 8.230 nan 0.000 0.433 319 R N -0.181 120.164 120.500 -0.259 0.000 2.120 319 R HA -0.158 4.183 4.340 0.001 0.000 0.234 319 R C 2.294 178.439 176.300 -0.258 0.000 1.123 319 R CA 1.413 57.324 56.100 -0.315 0.000 0.975 319 R CB -0.261 29.714 30.300 -0.542 0.000 0.866 319 R HN 0.424 nan 8.270 nan 0.000 0.446 320 L N -0.495 120.547 121.223 -0.301 0.000 2.023 320 L HA -0.084 4.257 4.340 0.001 0.000 0.205 320 L C 2.618 179.374 176.870 -0.190 0.000 1.073 320 L CA 1.491 56.053 54.840 -0.463 0.000 0.745 320 L CB -0.648 40.718 42.059 -1.154 0.000 0.900 320 L HN 0.286 nan 8.230 nan 0.000 0.435 321 S N -0.817 114.829 115.700 -0.090 0.000 2.356 321 S HA 0.005 4.476 4.470 0.001 0.000 0.223 321 S C 0.836 175.485 174.600 0.082 0.000 1.032 321 S CA 1.128 59.404 58.200 0.126 0.000 1.005 321 S CB -0.236 63.148 63.200 0.307 0.000 0.867 321 S HN 0.606 nan 8.310 nan 0.000 0.449 322 G N -1.573 107.220 108.800 -0.012 0.000 2.873 322 G HA2 0.427 4.388 3.960 0.001 0.000 0.507 322 G HA3 0.427 4.388 3.960 0.001 0.000 0.507 322 G C -0.386 174.461 174.900 -0.087 0.000 1.440 322 G CA -0.429 44.644 45.100 -0.045 0.000 1.016 322 G HN 0.955 nan 8.290 nan 0.000 0.615 323 G N 0.614 109.338 108.800 -0.127 0.000 2.733 323 G HA2 0.593 4.554 3.960 0.001 0.000 0.297 323 G HA3 0.593 4.554 3.960 0.001 0.000 0.297 323 G C -0.148 174.675 174.900 -0.127 0.000 1.452 323 G CA 0.135 45.146 45.100 -0.148 0.000 0.940 323 G HN 0.327 nan 8.290 nan 0.000 0.547 324 D N -0.228 120.103 120.400 -0.114 0.000 2.216 324 D HA 0.071 4.711 4.640 0.001 0.000 0.208 324 D C 0.452 176.794 176.300 0.069 0.000 0.960 324 D CA 1.077 55.050 54.000 -0.044 0.000 0.861 324 D CB 0.284 41.052 40.800 -0.053 0.000 0.985 324 D HN 0.587 nan 8.370 nan 0.000 0.493 325 H N -0.768 118.192 119.070 -0.183 0.000 2.670 325 H HA 0.565 5.122 4.556 0.001 0.000 0.361 325 H C -0.969 174.180 175.328 -0.298 0.000 1.169 325 H CA -1.087 54.832 56.048 -0.215 0.000 1.198 325 H CB 2.595 32.238 29.762 -0.198 0.000 1.700 325 H HN -0.119 nan 8.280 nan 0.000 0.542 326 L N 1.586 122.746 121.223 -0.106 0.000 2.505 326 L HA 0.199 4.539 4.340 0.001 0.000 0.266 326 L C -0.882 175.960 176.870 -0.047 0.000 0.954 326 L CA -0.370 54.388 54.840 -0.137 0.000 0.852 326 L CB 1.487 43.462 42.059 -0.141 0.000 1.282 326 L HN 0.719 nan 8.230 nan 0.000 0.403 327 H N 2.695 121.627 119.070 -0.231 0.000 3.001 327 H HA 0.159 4.715 4.556 0.001 0.000 0.334 327 H C 0.292 175.500 175.328 -0.200 0.000 1.034 327 H CA 0.852 56.763 56.048 -0.229 0.000 1.420 327 H CB 0.940 30.503 29.762 -0.332 0.000 1.405 327 H HN 0.773 nan 8.280 nan 0.000 0.593 328 S N 1.721 117.379 115.700 -0.069 0.000 2.666 328 S HA 0.305 4.775 4.470 0.001 0.000 0.239 328 S C 0.978 175.639 174.600 0.103 0.000 1.031 328 S CA 0.036 58.309 58.200 0.122 0.000 1.015 328 S CB 1.134 64.498 63.200 0.273 0.000 0.981 328 S HN 1.093 nan 8.310 nan 0.000 0.547 329 G N 1.358 110.116 108.800 -0.070 0.000 2.756 329 G HA2 -0.108 3.853 3.960 0.001 0.000 0.678 329 G HA3 -0.108 3.853 3.960 0.001 0.000 0.678 329 G C 0.303 175.223 174.900 0.032 0.000 1.349 329 G CA 0.197 45.286 45.100 -0.019 0.000 0.847 329 G HN 0.987 nan 8.290 nan 0.000 0.548 330 T N -3.470 111.106 114.554 0.037 0.000 2.955 330 T HA 0.441 4.792 4.350 0.001 0.000 0.251 330 T C 1.854 176.632 174.700 0.129 0.000 1.002 330 T CA 1.381 63.524 62.100 0.071 0.000 0.970 330 T CB 0.436 69.240 68.868 -0.106 0.000 1.091 330 T HN 2.268 nan 8.240 nan 0.000 0.495 331 V N 0.837 120.797 119.914 0.077 0.000 0.449 331 V HA -0.330 3.790 4.120 0.001 0.000 0.092 331 V C 2.074 178.185 176.094 0.029 0.000 2.531 331 V CA 2.000 64.328 62.300 0.047 0.000 3.708 331 V CB -1.937 29.901 31.823 0.024 0.000 0.981 331 V HN 0.721 nan 8.190 nan 0.000 1.031 332 V N -1.514 118.389 119.914 -0.018 0.000 3.650 332 V HA 0.669 4.790 4.120 0.001 0.000 0.271 332 V C 1.297 177.318 176.094 -0.122 0.000 1.281 332 V CA 1.342 63.613 62.300 -0.049 0.000 1.120 332 V CB 0.044 31.815 31.823 -0.086 0.000 0.856 332 V HN 0.868 nan 8.190 nan 0.000 0.443 333 G N 1.410 110.095 108.800 -0.192 0.000 2.531 333 G HA2 0.265 4.226 3.960 0.001 0.000 0.253 333 G HA3 0.265 4.226 3.960 0.001 0.000 0.253 333 G C 0.748 175.372 174.900 -0.460 0.000 1.439 333 G CA 0.067 44.983 45.100 -0.305 0.000 1.056 333 G HN 0.495 nan 8.290 nan 0.000 0.555 334 K N -1.195 118.712 120.400 -0.823 0.000 2.366 334 K HA 0.180 4.500 4.320 0.001 0.000 0.198 334 K C 0.257 176.645 176.600 -0.353 0.000 1.044 334 K CA 0.380 56.097 56.287 -0.950 0.000 0.973 334 K CB -0.210 31.741 32.500 -0.915 0.000 0.767 334 K HN 0.210 nan 8.250 nan 0.000 0.475 335 L N 1.547 122.632 121.223 -0.230 0.000 2.330 335 L HA 0.335 4.675 4.340 0.001 0.000 0.271 335 L C -0.160 176.679 176.870 -0.053 0.000 1.013 335 L CA -1.108 53.661 54.840 -0.118 0.000 0.816 335 L CB 1.842 43.847 42.059 -0.089 0.000 1.287 335 L HN 0.083 nan 8.230 nan 0.000 0.435 336 E N 0.581 120.768 120.200 -0.022 0.000 2.360 336 E HA 0.467 4.818 4.350 0.001 0.000 0.269 336 E C -0.471 176.158 176.600 0.049 0.000 1.022 336 E CA -0.152 56.263 56.400 0.025 0.000 0.887 336 E CB 0.903 30.617 29.700 0.023 0.000 0.990 336 E HN 0.738 nan 8.360 nan 0.000 0.426 337 G N 3.719 112.564 108.800 0.075 0.000 2.552 337 G HA2 0.112 4.072 3.960 0.001 0.000 0.288 337 G HA3 0.112 4.072 3.960 0.001 0.000 0.288 337 G C -1.551 173.408 174.900 0.098 0.000 1.358 337 G CA -0.846 44.318 45.100 0.108 0.000 1.305 337 G HN 0.610 nan 8.290 nan 0.000 0.602 338 D N 1.569 122.045 120.400 0.125 0.000 2.351 338 D HA 0.217 4.857 4.640 0.001 0.000 0.251 338 D C 1.477 177.798 176.300 0.034 0.000 1.137 338 D CA -0.324 53.733 54.000 0.096 0.000 0.879 338 D CB 1.541 42.425 40.800 0.140 0.000 1.181 338 D HN 0.352 nan 8.370 nan 0.000 0.448 339 K N 3.471 123.870 120.400 -0.003 0.000 2.026 339 K HA -0.143 4.177 4.320 0.001 0.000 0.208 339 K C 1.757 178.296 176.600 -0.102 0.000 1.048 339 K CA 1.588 57.834 56.287 -0.068 0.000 0.929 339 K CB -0.223 32.240 32.500 -0.061 0.000 0.713 339 K HN 0.457 nan 8.250 nan 0.000 0.439 340 A N 0.192 122.976 122.820 -0.059 0.000 1.877 340 A HA -0.153 4.168 4.320 0.001 0.000 0.216 340 A C 2.338 179.878 177.584 -0.073 0.000 1.186 340 A CA 2.127 54.125 52.037 -0.064 0.000 0.620 340 A CB -1.087 17.894 19.000 -0.033 0.000 0.822 340 A HN 0.402 nan 8.150 nan 0.000 0.443 341 S N -0.863 114.827 115.700 -0.017 0.000 2.359 341 S HA -0.145 4.325 4.470 0.001 0.000 0.224 341 S C 2.123 176.572 174.600 -0.252 0.000 1.035 341 S CA 2.001 60.227 58.200 0.042 0.000 1.018 341 S CB -0.486 62.877 63.200 0.272 0.000 0.876 341 S HN 0.711 nan 8.310 nan 0.000 0.448 342 T N 2.617 116.908 114.554 -0.439 0.000 2.746 342 T HA 0.014 4.364 4.350 0.001 0.000 0.267 342 T C 1.732 175.999 174.700 -0.721 0.000 1.039 342 T CA 1.056 62.567 62.100 -0.981 0.000 1.142 342 T CB -0.372 68.244 68.868 -0.420 0.000 0.866 342 T HN 0.276 nan 8.240 nan 0.000 0.444 343 L N 0.625 121.619 121.223 -0.381 0.000 2.131 343 L HA -0.032 4.309 4.340 0.001 0.000 0.210 343 L C 2.942 179.711 176.870 -0.169 0.000 1.092 343 L CA 1.256 55.946 54.840 -0.250 0.000 0.759 343 L CB -0.971 40.977 42.059 -0.185 0.000 0.903 343 L HN 0.353 nan 8.230 nan 0.000 0.435 344 G N 1.028 109.734 108.800 -0.157 0.000 2.433 344 G HA2 -0.306 3.655 3.960 0.001 0.000 0.216 344 G HA3 -0.306 3.655 3.960 0.001 0.000 0.216 344 G C 1.274 176.230 174.900 0.094 0.000 1.186 344 G CA 0.967 46.054 45.100 -0.022 0.000 0.779 344 G HN 0.480 nan 8.290 nan 0.000 0.543 345 F N 0.460 120.501 119.950 0.152 0.000 2.615 345 F HA 0.311 4.839 4.527 0.001 0.000 0.297 345 F C 2.090 177.983 175.800 0.154 0.000 1.124 345 F CA -0.239 57.867 58.000 0.176 0.000 1.451 345 F CB -0.756 38.396 39.000 0.253 0.000 1.103 345 F HN -0.016 nan 8.300 nan 0.000 0.569 346 V N 1.194 121.231 119.914 0.206 0.000 2.358 346 V HA -0.240 3.880 4.120 0.001 0.000 0.246 346 V C 2.072 178.246 176.094 0.134 0.000 1.047 346 V CA 2.268 64.689 62.300 0.202 0.000 1.035 346 V CB -0.639 31.249 31.823 0.107 0.000 0.658 346 V HN 0.227 nan 8.190 nan 0.000 0.452 347 D N 0.019 120.477 120.400 0.097 0.000 2.144 347 D HA -0.103 4.538 4.640 0.001 0.000 0.199 347 D C 2.109 178.486 176.300 0.128 0.000 0.984 347 D CA 1.096 55.150 54.000 0.091 0.000 0.834 347 D CB -0.219 40.624 40.800 0.073 0.000 0.955 347 D HN 0.327 nan 8.370 nan 0.000 0.465 348 L N 0.468 121.808 121.223 0.194 0.000 2.131 348 L HA -0.101 4.239 4.340 0.001 0.000 0.210 348 L C 2.399 179.328 176.870 0.099 0.000 1.092 348 L CA 0.893 55.897 54.840 0.274 0.000 0.759 348 L CB -0.398 41.862 42.059 0.336 0.000 0.903 348 L HN 0.159 nan 8.230 nan 0.000 0.435 349 M N -2.629 116.987 119.600 0.027 0.000 2.502 349 M HA 0.053 4.533 4.480 0.001 0.000 0.243 349 M C 1.907 178.081 176.300 -0.209 0.000 1.130 349 M CA 1.045 56.251 55.300 -0.156 0.000 1.055 349 M CB 0.159 32.733 32.600 -0.044 0.000 1.457 349 M HN -0.002 nan 8.290 nan 0.000 0.488 350 R N 0.418 120.853 120.500 -0.109 0.000 2.164 350 R HA 0.267 4.607 4.340 0.001 0.000 0.198 350 R C 0.368 176.615 176.300 -0.087 0.000 1.028 350 R CA 0.203 56.252 56.100 -0.084 0.000 1.083 350 R CB 0.499 30.798 30.300 -0.001 0.000 1.026 350 R HN 0.335 nan 8.270 nan 0.000 0.514 351 E N 0.505 120.686 120.200 -0.032 0.000 2.322 351 E HA 0.001 4.352 4.350 0.001 0.000 0.257 351 E C -0.076 176.580 176.600 0.093 0.000 1.155 351 E CA 0.155 56.583 56.400 0.047 0.000 0.936 351 E CB 1.059 30.822 29.700 0.104 0.000 1.130 351 E HN 0.012 nan 8.360 nan 0.000 0.465 352 D N -1.122 119.388 120.400 0.184 0.000 2.355 352 D HA -0.074 4.567 4.640 0.001 0.000 0.206 352 D C -0.327 176.220 176.300 0.411 0.000 1.010 352 D CA 0.578 54.752 54.000 0.291 0.000 0.875 352 D CB 0.462 41.382 40.800 0.200 0.000 0.966 352 D HN 0.278 nan 8.370 nan 0.000 0.512 353 H N -0.252 118.952 119.070 0.223 0.000 3.017 353 H HA 0.367 4.923 4.556 0.001 0.000 0.340 353 H C -1.682 173.735 175.328 0.148 0.000 1.014 353 H CA -0.636 55.511 56.048 0.164 0.000 1.341 353 H CB 0.542 30.364 29.762 0.099 0.000 1.739 353 H HN -0.135 nan 8.280 nan 0.000 0.506 354 I N 4.792 125.188 120.570 -0.290 0.000 2.439 354 I HA 0.124 4.294 4.170 0.001 0.000 0.285 354 I C 0.185 176.150 176.117 -0.253 0.000 1.021 354 I CA -0.546 60.677 61.300 -0.128 0.000 1.091 354 I CB 1.610 39.644 38.000 0.056 0.000 1.242 354 I HN 0.390 nan 8.210 nan 0.000 0.439 355 E N 3.980 124.097 120.200 -0.139 0.000 2.392 355 E HA 0.334 4.684 4.350 0.001 0.000 0.264 355 E C 0.147 176.727 176.600 -0.033 0.000 1.024 355 E CA -0.214 56.151 56.400 -0.058 0.000 0.903 355 E CB 1.143 30.871 29.700 0.047 0.000 0.963 355 E HN 0.665 nan 8.360 nan 0.000 0.432 356 A N 2.953 125.760 122.820 -0.021 0.000 2.565 356 A HA 0.025 4.346 4.320 0.001 0.000 0.237 356 A C 0.115 177.659 177.584 -0.067 0.000 1.053 356 A CA 0.398 52.414 52.037 -0.036 0.000 0.755 356 A CB 0.113 19.095 19.000 -0.031 0.000 0.980 356 A HN 0.498 nan 8.150 nan 0.000 0.506 357 D N 1.031 121.366 120.400 -0.108 0.000 2.312 357 D HA 0.185 4.825 4.640 0.001 0.000 0.229 357 D C 0.800 176.984 176.300 -0.194 0.000 1.337 357 D CA -0.528 53.400 54.000 -0.121 0.000 0.964 357 D CB 0.476 41.233 40.800 -0.072 0.000 1.456 357 D HN 0.388 nan 8.370 nan 0.000 0.547 358 R N 1.023 121.362 120.500 -0.269 0.000 2.189 358 R HA -0.046 4.294 4.340 0.001 0.000 0.223 358 R C 1.727 177.873 176.300 -0.256 0.000 1.092 358 R CA 1.044 56.902 56.100 -0.404 0.000 0.989 358 R CB -0.385 29.651 30.300 -0.440 0.000 0.876 358 R HN 0.491 nan 8.270 nan 0.000 0.457 359 S N 0.181 115.786 115.700 -0.159 0.000 2.481 359 S HA -0.012 4.459 4.470 0.001 0.000 0.231 359 S C 1.552 176.103 174.600 -0.083 0.000 0.996 359 S CA 0.477 58.616 58.200 -0.101 0.000 0.942 359 S CB 0.054 63.209 63.200 -0.075 0.000 0.768 359 S HN 0.251 nan 8.310 nan 0.000 0.520 360 R N 0.111 120.555 120.500 -0.093 0.000 2.543 360 R HA 0.317 4.658 4.340 0.001 0.000 0.323 360 R C 1.144 177.413 176.300 -0.052 0.000 1.002 360 R CA 0.336 56.398 56.100 -0.063 0.000 1.106 360 R CB 0.504 30.770 30.300 -0.056 0.000 1.280 360 R HN 0.523 nan 8.270 nan 0.000 0.549 361 G N 1.062 109.796 108.800 -0.110 0.000 2.143 361 G HA2 -0.249 3.711 3.960 0.001 0.000 0.249 361 G HA3 -0.249 3.711 3.960 0.001 0.000 0.249 361 G C 0.122 175.004 174.900 -0.029 0.000 0.981 361 G CA 0.094 45.138 45.100 -0.093 0.000 0.665 361 G HN 0.143 nan 8.290 nan 0.000 0.528 362 V N 1.612 121.476 119.914 -0.084 0.000 2.339 362 V HA 0.455 4.576 4.120 0.001 0.000 0.261 362 V C 1.371 177.397 176.094 -0.115 0.000 1.058 362 V CA -0.299 62.002 62.300 0.001 0.000 0.897 362 V CB 0.284 32.115 31.823 0.014 0.000 1.052 362 V HN 0.215 nan 8.190 nan 0.000 0.480 363 F N 3.396 123.196 119.950 -0.251 0.000 2.293 363 F HA 0.217 4.744 4.527 0.001 0.000 0.297 363 F C 0.738 176.215 175.800 -0.537 0.000 1.089 363 F CA 0.848 58.558 58.000 -0.484 0.000 1.377 363 F CB -0.020 38.509 39.000 -0.785 0.000 1.051 363 F HN 0.311 nan 8.300 nan 0.000 0.511 364 F N -1.202 118.853 119.950 0.176 0.000 2.546 364 F HA 0.383 4.911 4.527 0.001 0.000 0.320 364 F C 0.447 176.250 175.800 0.006 0.000 1.076 364 F CA -1.725 56.326 58.000 0.084 0.000 0.928 364 F CB 0.689 39.730 39.000 0.067 0.000 1.189 364 F HN -0.526 nan 8.300 nan 0.000 0.465 365 T N 1.915 116.568 114.554 0.165 0.000 2.853 365 T HA 0.221 4.571 4.350 0.001 0.000 0.298 365 T C -0.376 174.300 174.700 -0.040 0.000 0.978 365 T CA -0.005 62.098 62.100 0.005 0.000 1.152 365 T CB 0.473 69.333 68.868 -0.013 0.000 0.914 365 T HN 0.419 nan 8.240 nan 0.000 0.539 366 Q N 2.843 122.564 119.800 -0.132 0.000 2.331 366 Q HA 0.329 4.669 4.340 0.001 0.000 0.267 366 Q C -1.217 174.616 176.000 -0.278 0.000 1.006 366 Q CA -0.508 55.168 55.803 -0.211 0.000 0.818 366 Q CB 1.097 29.735 28.738 -0.168 0.000 1.276 366 Q HN 0.525 nan 8.270 nan 0.000 0.450 367 D N 2.691 122.917 120.400 -0.290 0.000 2.252 367 D HA 0.248 4.888 4.640 0.001 0.000 0.245 367 D C -0.355 175.748 176.300 -0.328 0.000 1.009 367 D CA -0.168 53.751 54.000 -0.135 0.000 0.870 367 D CB 0.936 41.749 40.800 0.022 0.000 1.251 367 D HN 0.751 nan 8.370 nan 0.000 0.460 368 W N 0.308 121.638 121.300 0.050 0.000 2.714 368 W HA 0.300 4.960 4.660 0.001 0.000 0.353 368 W C 0.960 177.493 176.519 0.025 0.000 0.999 368 W CA -0.321 57.035 57.345 0.019 0.000 1.629 368 W CB 0.400 29.863 29.460 0.005 0.000 1.106 368 W HN 0.579 nan 8.180 nan 0.000 0.545 369 A N 0.781 123.724 122.820 0.205 0.000 2.704 369 A HA -0.237 4.083 4.320 0.001 0.000 0.299 369 A C 1.243 178.910 177.584 0.138 0.000 1.507 369 A CA 1.268 53.388 52.037 0.139 0.000 0.776 369 A CB -1.875 17.186 19.000 0.100 0.000 1.027 369 A HN 0.701 nan 8.150 nan 0.000 0.475 370 S N -3.382 112.409 115.700 0.153 0.000 3.361 370 S HA -0.257 4.214 4.470 0.001 0.000 0.288 370 S C 0.325 174.979 174.600 0.089 0.000 1.269 370 S CA 1.360 59.624 58.200 0.107 0.000 0.976 370 S CB -1.961 61.284 63.200 0.075 0.000 1.162 370 S HN 1.818 nan 8.310 nan 0.000 0.643 371 M N 2.474 122.151 119.600 0.127 0.000 2.246 371 M HA 0.187 4.667 4.480 0.001 0.000 0.350 371 M C -2.236 174.046 176.300 -0.029 0.000 1.406 371 M CA -1.238 54.103 55.300 0.069 0.000 1.089 371 M CB 0.396 33.080 32.600 0.140 0.000 1.782 371 M HN -0.135 nan 8.290 nan 0.000 0.457 372 P HA 0.062 nan 4.420 nan 0.000 0.267 372 P C -0.352 176.851 177.300 -0.161 0.000 1.201 372 P CA -0.013 63.044 63.100 -0.073 0.000 0.775 372 P CB 0.326 31.997 31.700 -0.049 0.000 0.854 373 G N 0.640 109.358 108.800 -0.138 0.000 2.562 373 G HA2 0.454 4.414 3.960 0.001 0.000 0.275 373 G HA3 0.454 4.414 3.960 0.001 0.000 0.275 373 G C -0.933 173.882 174.900 -0.141 0.000 1.196 373 G CA -0.425 44.563 45.100 -0.187 0.000 0.908 373 G HN 0.374 nan 8.290 nan 0.000 0.524 374 V N 0.902 120.724 119.914 -0.155 0.000 2.459 374 V HA 0.289 4.409 4.120 0.001 0.000 0.295 374 V C 0.343 176.405 176.094 -0.054 0.000 1.029 374 V CA -0.669 61.569 62.300 -0.104 0.000 0.874 374 V CB 1.640 33.370 31.823 -0.155 0.000 0.985 374 V HN 0.567 nan 8.190 nan 0.000 0.438 375 L N 7.848 129.060 121.223 -0.017 0.000 2.418 375 L HA 0.259 4.599 4.340 0.001 0.000 0.274 375 L C -1.916 174.899 176.870 -0.092 0.000 1.135 375 L CA -1.307 53.498 54.840 -0.059 0.000 0.870 375 L CB 1.232 43.211 42.059 -0.134 0.000 1.154 375 L HN 0.439 nan 8.230 nan 0.000 0.462 376 P HA 0.071 nan 4.420 nan 0.000 0.276 376 P C -0.882 176.261 177.300 -0.262 0.000 1.230 376 P CA -0.157 62.886 63.100 -0.094 0.000 0.776 376 P CB 1.349 33.064 31.700 0.025 0.000 0.888 377 V N 3.158 122.883 119.914 -0.316 0.000 2.350 377 V HA 0.484 4.605 4.120 0.001 0.000 0.285 377 V C 0.463 176.226 176.094 -0.551 0.000 1.014 377 V CA -0.839 61.195 62.300 -0.443 0.000 0.831 377 V CB 1.231 32.774 31.823 -0.466 0.000 1.000 377 V HN 0.676 nan 8.190 nan 0.000 0.433 378 A N 3.880 126.324 122.820 -0.627 0.000 2.269 378 A HA 0.800 5.120 4.320 0.001 0.000 0.302 378 A C 0.091 177.395 177.584 -0.467 0.000 1.266 378 A CA -0.173 51.505 52.037 -0.599 0.000 0.894 378 A CB 0.890 19.420 19.000 -0.783 0.000 1.147 378 A HN 0.823 nan 8.150 nan 0.000 0.537 379 S N 1.612 117.097 115.700 -0.358 0.000 2.533 379 S HA 0.751 5.222 4.470 0.001 0.000 0.271 379 S C -0.516 173.969 174.600 -0.192 0.000 1.143 379 S CA 0.372 58.400 58.200 -0.288 0.000 0.891 379 S CB 1.332 64.413 63.200 -0.198 0.000 1.105 379 S HN 2.562 nan 8.310 nan 0.000 0.468 380 G N 1.721 110.399 108.800 -0.203 0.000 3.152 380 G HA2 0.449 4.409 3.960 0.001 0.000 0.666 380 G HA3 0.449 4.409 3.960 0.001 0.000 0.666 380 G C 0.817 175.566 174.900 -0.252 0.000 1.205 380 G CA 0.295 45.291 45.100 -0.172 0.000 1.178 380 G HN 2.121 nan 8.290 nan 0.000 0.510 381 G N 0.291 108.962 108.800 -0.215 0.000 2.160 381 G HA2 -0.027 3.934 3.960 0.001 0.000 0.251 381 G HA3 -0.027 3.934 3.960 0.001 0.000 0.251 381 G C 0.604 175.467 174.900 -0.063 0.000 1.008 381 G CA 0.983 45.939 45.100 -0.240 0.000 0.724 381 G HN 2.288 nan 8.290 nan 0.000 0.514 382 I N -1.963 118.555 120.570 -0.087 0.000 2.525 382 I HA 0.942 5.113 4.170 0.001 0.000 0.301 382 I C 0.227 176.530 176.117 0.310 0.000 0.992 382 I CA -1.375 59.951 61.300 0.043 0.000 1.162 382 I CB 1.574 39.466 38.000 -0.181 0.000 1.332 382 I HN 0.303 nan 8.210 nan 0.000 0.458 383 H N 1.803 121.215 119.070 0.570 0.000 3.038 383 H HA 0.500 5.057 4.556 0.001 0.000 0.289 383 H C 0.714 176.160 175.328 0.196 0.000 1.510 383 H CA -0.425 55.739 56.048 0.193 0.000 1.227 383 H CB 0.439 30.045 29.762 -0.261 0.000 1.880 383 H HN 0.325 nan 8.280 nan 0.000 0.594 384 V N -2.979 117.067 119.914 0.220 0.000 2.380 384 V HA -0.244 3.876 4.120 0.001 0.000 0.251 384 V C 1.432 177.525 176.094 -0.001 0.000 1.063 384 V CA 1.810 64.088 62.300 -0.035 0.000 1.055 384 V CB -1.292 30.410 31.823 -0.201 0.000 0.657 384 V HN 0.781 nan 8.190 nan 0.000 0.455 385 W N -0.243 121.167 121.300 0.184 0.000 2.468 385 W HA -0.014 4.646 4.660 0.001 0.000 0.262 385 W C 2.601 179.073 176.519 -0.078 0.000 1.241 385 W CA 1.183 58.545 57.345 0.028 0.000 1.232 385 W CB -0.454 29.043 29.460 0.061 0.000 1.124 385 W HN 0.355 nan 8.180 nan 0.000 0.597 386 H N -0.985 118.227 119.070 0.235 0.000 2.548 386 H HA 0.004 4.560 4.556 0.001 0.000 0.268 386 H C 1.902 177.332 175.328 0.171 0.000 0.975 386 H CA 1.003 57.139 56.048 0.148 0.000 1.195 386 H CB -0.397 29.398 29.762 0.056 0.000 1.397 386 H HN 0.177 nan 8.280 nan 0.000 0.572 387 M N 1.698 121.451 119.600 0.255 0.000 2.082 387 M HA -0.082 4.398 4.480 0.001 0.000 0.258 387 M C -0.915 175.488 176.300 0.172 0.000 1.069 387 M CA 1.608 57.031 55.300 0.205 0.000 1.102 387 M CB -0.866 31.787 32.600 0.089 0.000 1.336 387 M HN 0.065 nan 8.290 nan 0.000 0.404 388 P HA -0.016 nan 4.420 nan 0.000 0.217 388 P C 1.056 178.447 177.300 0.152 0.000 1.151 388 P CA 2.018 65.196 63.100 0.130 0.000 0.828 388 P CB -0.358 31.407 31.700 0.109 0.000 0.788 389 A N 0.159 123.088 122.820 0.181 0.000 1.898 389 A HA -0.120 4.200 4.320 0.001 0.000 0.216 389 A C 2.386 180.064 177.584 0.157 0.000 1.181 389 A CA 1.284 53.428 52.037 0.177 0.000 0.620 389 A CB -1.600 17.523 19.000 0.204 0.000 0.819 389 A HN 0.099 nan 8.150 nan 0.000 0.442 390 L N -0.505 120.845 121.223 0.212 0.000 2.046 390 L HA -0.164 4.177 4.340 0.001 0.000 0.208 390 L C 2.507 179.544 176.870 0.278 0.000 1.077 390 L CA 1.141 56.156 54.840 0.291 0.000 0.747 390 L CB -0.600 41.627 42.059 0.281 0.000 0.896 390 L HN 0.243 nan 8.230 nan 0.000 0.432 391 V N -0.104 119.929 119.914 0.197 0.000 2.427 391 V HA -0.272 3.848 4.120 0.001 0.000 0.248 391 V C 2.477 178.638 176.094 0.112 0.000 1.051 391 V CA 1.942 64.335 62.300 0.156 0.000 1.048 391 V CB -0.436 31.461 31.823 0.123 0.000 0.666 391 V HN 0.471 nan 8.190 nan 0.000 0.456 392 E N 0.613 120.868 120.200 0.091 0.000 2.051 392 E HA -0.207 4.143 4.350 0.001 0.000 0.192 392 E C 2.026 178.608 176.600 -0.029 0.000 0.991 392 E CA 1.867 58.295 56.400 0.047 0.000 0.799 392 E CB -0.274 29.468 29.700 0.070 0.000 0.748 392 E HN 0.591 nan 8.360 nan 0.000 0.449 393 I N -0.705 119.804 120.570 -0.101 0.000 2.233 393 I HA -0.178 3.993 4.170 0.001 0.000 0.243 393 I C 1.567 177.415 176.117 -0.450 0.000 1.093 393 I CA 0.968 62.054 61.300 -0.357 0.000 1.380 393 I CB -0.130 37.502 38.000 -0.614 0.000 1.067 393 I HN 0.132 nan 8.210 nan 0.000 0.413 394 F N 0.402 120.353 119.950 0.003 0.000 2.656 394 F HA 0.335 4.862 4.527 0.001 0.000 0.291 394 F C 1.596 177.401 175.800 0.007 0.000 1.122 394 F CA 0.549 58.547 58.000 -0.003 0.000 1.427 394 F CB -0.597 38.397 39.000 -0.010 0.000 1.125 394 F HN 0.146 nan 8.300 nan 0.000 0.583 395 G N 0.709 109.602 108.800 0.154 0.000 2.645 395 G HA2 -0.288 3.673 3.960 0.001 0.000 0.239 395 G HA3 -0.288 3.673 3.960 0.001 0.000 0.239 395 G C 0.307 175.278 174.900 0.119 0.000 1.331 395 G CA 0.110 45.275 45.100 0.109 0.000 0.890 395 G HN 0.146 nan 8.290 nan 0.000 0.572 396 D N 0.456 120.910 120.400 0.090 0.000 2.183 396 D HA 0.043 4.683 4.640 0.001 0.000 0.203 396 D C 0.910 177.255 176.300 0.074 0.000 0.969 396 D CA 1.252 55.300 54.000 0.081 0.000 0.842 396 D CB -0.091 40.754 40.800 0.075 0.000 0.957 396 D HN 0.370 nan 8.370 nan 0.000 0.484 397 D N 0.758 121.203 120.400 0.074 0.000 2.619 397 D HA 0.172 4.812 4.640 0.001 0.000 0.224 397 D C -0.089 176.234 176.300 0.039 0.000 1.133 397 D CA 0.069 54.102 54.000 0.054 0.000 1.017 397 D CB 0.016 40.848 40.800 0.054 0.000 1.077 397 D HN 0.011 nan 8.370 nan 0.000 0.503 398 S N -1.287 114.418 115.700 0.008 0.000 2.588 398 S HA 0.602 5.073 4.470 0.001 0.000 0.269 398 S C -0.966 173.576 174.600 -0.097 0.000 1.157 398 S CA -0.900 57.260 58.200 -0.067 0.000 0.824 398 S CB 1.741 64.917 63.200 -0.041 0.000 1.126 398 S HN -0.087 nan 8.310 nan 0.000 0.464 399 V N 1.760 121.562 119.914 -0.187 0.000 2.448 399 V HA 0.523 4.643 4.120 0.001 0.000 0.295 399 V C -0.764 175.217 176.094 -0.189 0.000 1.025 399 V CA -0.640 61.584 62.300 -0.127 0.000 0.859 399 V CB 1.198 32.928 31.823 -0.156 0.000 0.988 399 V HN 0.821 nan 8.190 nan 0.000 0.431 400 L N 5.045 126.208 121.223 -0.099 0.000 2.296 400 L HA 0.618 4.958 4.340 0.001 0.000 0.286 400 L C -0.241 176.496 176.870 -0.222 0.000 1.023 400 L CA -0.402 54.323 54.840 -0.191 0.000 0.812 400 L CB 1.442 43.505 42.059 0.007 0.000 1.223 400 L HN 0.600 nan 8.230 nan 0.000 0.421 401 Q N 3.417 122.919 119.800 -0.496 0.000 2.340 401 Q HA 0.556 4.896 4.340 0.001 0.000 0.268 401 Q C -1.581 174.034 176.000 -0.643 0.000 1.031 401 Q CA -0.527 55.059 55.803 -0.362 0.000 0.804 401 Q CB 2.771 31.383 28.738 -0.210 0.000 1.286 401 Q HN 0.410 nan 8.270 nan 0.000 0.448 402 F N 0.668 120.595 119.950 -0.038 0.000 2.513 402 F HA 0.359 4.887 4.527 0.001 0.000 0.358 402 F C 0.830 176.612 175.800 -0.029 0.000 1.118 402 F CA -0.652 57.323 58.000 -0.041 0.000 1.037 402 F CB 1.399 40.378 39.000 -0.036 0.000 1.276 402 F HN 0.746 nan 8.300 nan 0.000 0.446 403 G N 1.569 110.411 108.800 0.070 0.000 2.655 403 G HA2 0.069 4.029 3.960 0.001 0.000 0.217 403 G HA3 0.069 4.029 3.960 0.001 0.000 0.217 403 G C 1.752 176.702 174.900 0.083 0.000 1.279 403 G CA 0.600 45.737 45.100 0.062 0.000 0.870 403 G HN 0.759 nan 8.290 nan 0.000 0.560 404 G N 0.599 109.439 108.800 0.067 0.000 2.462 404 G HA2 0.092 4.052 3.960 0.001 0.000 0.220 404 G HA3 0.092 4.052 3.960 0.001 0.000 0.220 404 G C 1.622 176.565 174.900 0.071 0.000 1.121 404 G CA 1.305 46.459 45.100 0.090 0.000 0.758 404 G HN 0.682 nan 8.290 nan 0.000 0.559 405 G N -0.782 108.009 108.800 -0.014 0.000 2.776 405 G HA2 0.170 4.130 3.960 0.001 0.000 0.209 405 G HA3 0.170 4.130 3.960 0.001 0.000 0.209 405 G C 1.387 176.356 174.900 0.115 0.000 1.145 405 G CA 1.444 46.441 45.100 -0.172 0.000 0.791 405 G HN 0.396 nan 8.290 nan 0.000 0.530 406 T N 0.173 114.839 114.554 0.186 0.000 3.114 406 T HA 0.097 4.447 4.350 0.001 0.000 0.240 406 T C 1.993 176.814 174.700 0.203 0.000 0.983 406 T CA -0.078 62.126 62.100 0.174 0.000 1.151 406 T CB -0.022 68.908 68.868 0.105 0.000 0.974 406 T HN 0.051 nan 8.240 nan 0.000 0.442 407 L N 1.523 122.846 121.223 0.166 0.000 2.465 407 L HA 0.260 4.601 4.340 0.001 0.000 0.224 407 L C 2.260 179.252 176.870 0.203 0.000 1.145 407 L CA 0.916 55.842 54.840 0.145 0.000 0.834 407 L CB -0.315 41.798 42.059 0.091 0.000 0.944 407 L HN 0.367 nan 8.230 nan 0.000 0.451 408 G N -2.912 106.075 108.800 0.313 0.000 3.189 408 G HA2 -0.078 3.883 3.960 0.001 0.000 0.225 408 G HA3 -0.078 3.883 3.960 0.001 0.000 0.225 408 G C 0.543 175.642 174.900 0.331 0.000 1.159 408 G CA -0.301 45.025 45.100 0.377 0.000 0.763 408 G HN 0.277 nan 8.290 nan 0.000 0.549 409 H N 1.745 120.944 119.070 0.215 0.000 2.897 409 H HA 0.065 4.621 4.556 0.001 0.000 0.347 409 H C -1.158 174.114 175.328 -0.093 0.000 1.068 409 H CA -0.973 55.049 56.048 -0.043 0.000 1.426 409 H CB 1.988 31.734 29.762 -0.026 0.000 1.410 409 H HN -0.003 nan 8.280 nan 0.000 0.597 410 P HA -0.130 nan 4.420 nan 0.000 0.222 410 P C 0.658 178.141 177.300 0.306 0.000 1.147 410 P CA 1.124 64.149 63.100 -0.126 0.000 0.790 410 P CB 0.101 31.623 31.700 -0.297 0.000 0.780 411 W N -0.042 121.416 121.300 0.263 0.000 3.127 411 W HA 0.504 5.164 4.660 0.001 0.000 0.344 411 W C 1.144 177.729 176.519 0.110 0.000 1.151 411 W CA 0.438 57.890 57.345 0.177 0.000 1.765 411 W CB -0.577 28.986 29.460 0.173 0.000 1.085 411 W HN 0.043 nan 8.180 nan 0.000 0.596 412 G N 0.946 109.938 108.800 0.320 0.000 2.447 412 G HA2 -0.284 3.677 3.960 0.001 0.000 0.220 412 G HA3 -0.284 3.677 3.960 0.001 0.000 0.220 412 G C 0.620 175.570 174.900 0.083 0.000 1.261 412 G CA -0.066 45.133 45.100 0.165 0.000 1.000 412 G HN -0.025 nan 8.290 nan 0.000 0.515 413 N N 0.087 118.806 118.700 0.031 0.000 2.109 413 N HA 0.142 4.882 4.740 0.001 0.000 0.188 413 N C 2.708 178.174 175.510 -0.074 0.000 1.034 413 N CA 2.581 55.624 53.050 -0.013 0.000 0.846 413 N CB -0.703 37.766 38.487 -0.029 0.000 1.010 413 N HN 1.059 nan 8.380 nan 0.000 0.425 414 A N 1.525 124.291 122.820 -0.090 0.000 1.902 414 A HA -0.043 4.277 4.320 0.001 0.000 0.217 414 A C -0.376 177.129 177.584 -0.132 0.000 1.181 414 A CA 1.326 53.293 52.037 -0.118 0.000 0.623 414 A CB -1.482 17.447 19.000 -0.119 0.000 0.818 414 A HN 0.248 nan 8.150 nan 0.000 0.443 415 P HA -0.061 nan 4.420 nan 0.000 0.219 415 P C 1.746 178.682 177.300 -0.607 0.000 1.150 415 P CA 1.690 64.616 63.100 -0.289 0.000 0.814 415 P CB -0.508 31.100 31.700 -0.153 0.000 0.787 416 G N 0.663 109.120 108.800 -0.570 0.000 2.440 416 G HA2 -0.250 3.710 3.960 0.001 0.000 0.218 416 G HA3 -0.250 3.710 3.960 0.001 0.000 0.218 416 G C 1.749 176.545 174.900 -0.174 0.000 1.154 416 G CA 1.096 45.998 45.100 -0.330 0.000 0.767 416 G HN 0.341 nan 8.290 nan 0.000 0.552 417 A N 0.081 122.813 122.820 -0.146 0.000 1.898 417 A HA 0.013 4.333 4.320 0.001 0.000 0.216 417 A C 2.516 180.022 177.584 -0.131 0.000 1.181 417 A CA 2.374 54.344 52.037 -0.113 0.000 0.620 417 A CB -0.937 18.007 19.000 -0.093 0.000 0.819 417 A HN 0.278 nan 8.150 nan 0.000 0.442 418 T N 0.239 114.707 114.554 -0.143 0.000 2.746 418 T HA -0.028 4.322 4.350 0.001 0.000 0.267 418 T C 2.205 176.815 174.700 -0.151 0.000 1.039 418 T CA 1.519 63.548 62.100 -0.119 0.000 1.142 418 T CB -0.443 68.370 68.868 -0.093 0.000 0.866 418 T HN 0.597 nan 8.240 nan 0.000 0.444 419 A N 2.002 124.701 122.820 -0.203 0.000 1.883 419 A HA -0.212 4.108 4.320 0.001 0.000 0.217 419 A C 2.126 179.580 177.584 -0.218 0.000 1.186 419 A CA 2.210 54.123 52.037 -0.205 0.000 0.624 419 A CB -0.931 17.980 19.000 -0.149 0.000 0.822 419 A HN 0.626 nan 8.150 nan 0.000 0.444 420 N N -1.338 117.217 118.700 -0.241 0.000 2.142 420 N HA -0.149 4.591 4.740 0.001 0.000 0.186 420 N C 1.962 177.342 175.510 -0.218 0.000 1.023 420 N CA 1.309 54.150 53.050 -0.348 0.000 0.852 420 N CB -0.140 38.049 38.487 -0.496 0.000 0.998 420 N HN 0.432 nan 8.380 nan 0.000 0.424 421 R N 1.119 121.535 120.500 -0.141 0.000 2.081 421 R HA -0.004 4.337 4.340 0.001 0.000 0.235 421 R C 1.687 177.959 176.300 -0.047 0.000 1.131 421 R CA 1.058 57.114 56.100 -0.074 0.000 0.960 421 R CB -0.719 29.548 30.300 -0.054 0.000 0.856 421 R HN 0.030 nan 8.270 nan 0.000 0.436 422 V N 0.754 120.628 119.914 -0.066 0.000 2.307 422 V HA -0.168 3.953 4.120 0.001 0.000 0.245 422 V C 2.346 178.399 176.094 -0.069 0.000 1.045 422 V CA 1.888 64.167 62.300 -0.035 0.000 1.024 422 V CB -0.931 30.811 31.823 -0.135 0.000 0.651 422 V HN 0.536 nan 8.190 nan 0.000 0.449 423 A N -0.190 122.543 122.820 -0.145 0.000 1.908 423 A HA -0.229 4.091 4.320 0.001 0.000 0.218 423 A C 2.175 179.720 177.584 -0.065 0.000 1.181 423 A CA 2.275 54.225 52.037 -0.146 0.000 0.627 423 A CB -0.579 18.296 19.000 -0.208 0.000 0.818 423 A HN 0.478 nan 8.150 nan 0.000 0.445 424 L N -0.067 121.128 121.223 -0.048 0.000 2.005 424 L HA -0.129 4.211 4.340 0.001 0.000 0.207 424 L C 2.225 179.113 176.870 0.031 0.000 1.072 424 L CA 2.444 57.289 54.840 0.009 0.000 0.744 424 L CB -0.607 41.464 42.059 0.020 0.000 0.895 424 L HN 0.494 nan 8.230 nan 0.000 0.433 425 E N -0.282 119.938 120.200 0.034 0.000 2.153 425 E HA -0.199 4.152 4.350 0.001 0.000 0.194 425 E C 2.131 178.774 176.600 0.073 0.000 0.988 425 E CA 1.000 57.433 56.400 0.056 0.000 0.811 425 E CB -0.275 29.465 29.700 0.067 0.000 0.746 425 E HN 0.678 nan 8.360 nan 0.000 0.466 426 A N 0.844 123.713 122.820 0.080 0.000 1.902 426 A HA -0.187 4.133 4.320 0.001 0.000 0.217 426 A C 2.424 180.046 177.584 0.063 0.000 1.181 426 A CA 1.152 53.245 52.037 0.094 0.000 0.623 426 A CB -0.756 18.293 19.000 0.081 0.000 0.818 426 A HN 0.336 nan 8.150 nan 0.000 0.443 427 C N -1.445 117.883 119.300 0.046 0.000 2.466 427 C HA -0.012 4.448 4.460 0.001 0.000 0.278 427 C C 2.741 177.766 174.990 0.058 0.000 1.288 427 C CA 0.903 59.951 59.018 0.051 0.000 1.722 427 C CB -1.117 26.656 27.740 0.054 0.000 2.017 427 C HN 0.453 nan 8.230 nan 0.000 0.488 428 V N 0.651 120.600 119.914 0.058 0.000 2.358 428 V HA -0.270 3.850 4.120 0.001 0.000 0.246 428 V C 2.525 178.650 176.094 0.052 0.000 1.047 428 V CA 2.136 64.470 62.300 0.057 0.000 1.035 428 V CB -0.879 30.977 31.823 0.056 0.000 0.658 428 V HN 0.622 nan 8.190 nan 0.000 0.452 429 Q N -0.005 119.826 119.800 0.052 0.000 2.061 429 Q HA -0.240 4.101 4.340 0.001 0.000 0.204 429 Q C 2.269 178.296 176.000 0.045 0.000 0.984 429 Q CA 2.199 58.030 55.803 0.046 0.000 0.846 429 Q CB -0.288 28.480 28.738 0.050 0.000 0.902 429 Q HN 0.620 nan 8.270 nan 0.000 0.421 430 A N 1.369 124.219 122.820 0.051 0.000 1.877 430 A HA -0.227 4.093 4.320 0.001 0.000 0.216 430 A C 2.157 179.768 177.584 0.046 0.000 1.186 430 A CA 1.570 53.636 52.037 0.048 0.000 0.620 430 A CB -0.772 18.259 19.000 0.052 0.000 0.822 430 A HN 0.455 nan 8.150 nan 0.000 0.443 431 R N -0.247 120.283 120.500 0.049 0.000 2.083 431 R HA -0.203 4.138 4.340 0.001 0.000 0.237 431 R C 1.651 177.975 176.300 0.041 0.000 1.137 431 R CA 2.025 58.154 56.100 0.048 0.000 0.951 431 R CB -0.426 29.905 30.300 0.053 0.000 0.851 431 R HN 0.507 nan 8.270 nan 0.000 0.434 432 N N 0.842 119.565 118.700 0.039 0.000 2.289 432 N HA -0.137 4.603 4.740 0.001 0.000 0.184 432 N C 1.098 176.624 175.510 0.028 0.000 1.016 432 N CA 1.231 54.301 53.050 0.033 0.000 0.872 432 N CB -0.065 38.441 38.487 0.032 0.000 0.973 432 N HN 0.450 nan 8.380 nan 0.000 0.433 433 E N -0.930 119.288 120.200 0.030 0.000 2.435 433 E HA 0.121 4.471 4.350 0.001 0.000 0.195 433 E C 0.739 177.354 176.600 0.026 0.000 1.029 433 E CA 0.367 56.783 56.400 0.026 0.000 0.865 433 E CB 0.168 29.884 29.700 0.027 0.000 0.833 433 E HN 0.417 nan 8.360 nan 0.000 0.510 434 G N 1.538 110.356 108.800 0.030 0.000 2.184 434 G HA2 -0.213 3.748 3.960 0.001 0.000 0.206 434 G HA3 -0.213 3.748 3.960 0.001 0.000 0.206 434 G C 0.109 175.029 174.900 0.035 0.000 0.995 434 G CA -0.523 44.595 45.100 0.030 0.000 0.651 434 G HN 0.025 nan 8.290 nan 0.000 0.511 435 R N 0.691 121.214 120.500 0.039 0.000 2.543 435 R HA 0.324 4.665 4.340 0.001 0.000 0.277 435 R C -0.617 175.715 176.300 0.053 0.000 1.074 435 R CA -0.349 55.777 56.100 0.043 0.000 1.076 435 R CB 0.682 31.008 30.300 0.044 0.000 0.993 435 R HN 0.247 nan 8.270 nan 0.000 0.459 436 D N 2.943 123.379 120.400 0.059 0.000 2.336 436 D HA 0.045 4.685 4.640 0.001 0.000 0.249 436 D C 1.125 177.480 176.300 0.092 0.000 1.213 436 D CA -0.089 53.959 54.000 0.081 0.000 0.870 436 D CB 0.702 41.557 40.800 0.092 0.000 1.076 436 D HN 0.409 nan 8.370 nan 0.000 0.483 437 L N 3.595 124.879 121.223 0.102 0.000 2.131 437 L HA -0.170 4.170 4.340 0.001 0.000 0.210 437 L C 1.706 178.651 176.870 0.124 0.000 1.092 437 L CA 0.847 55.749 54.840 0.104 0.000 0.759 437 L CB -0.443 41.679 42.059 0.106 0.000 0.903 437 L HN 0.570 nan 8.230 nan 0.000 0.435 438 Y N 0.811 121.137 120.300 0.043 0.000 2.133 438 Y HA -0.240 4.311 4.550 0.001 0.000 0.287 438 Y C 2.894 178.822 175.900 0.046 0.000 1.134 438 Y CA 1.716 59.843 58.100 0.044 0.000 1.133 438 Y CB -0.167 38.310 38.460 0.029 0.000 0.987 438 Y HN -0.019 nan 8.280 nan 0.000 0.502 439 R N 0.338 120.847 120.500 0.016 0.000 2.119 439 R HA -0.058 4.283 4.340 0.001 0.000 0.222 439 R C 1.123 177.392 176.300 -0.050 0.000 1.088 439 R CA 1.750 57.816 56.100 -0.057 0.000 0.984 439 R CB -0.103 30.239 30.300 0.071 0.000 0.884 439 R HN 0.470 nan 8.270 nan 0.000 0.447 440 E N -1.036 119.164 120.200 -0.000 0.000 2.498 440 E HA 0.107 4.457 4.350 0.001 0.000 0.203 440 E C 1.386 178.002 176.600 0.026 0.000 1.013 440 E CA 0.177 56.587 56.400 0.016 0.000 0.927 440 E CB 0.957 30.677 29.700 0.034 0.000 1.012 440 E HN 0.485 nan 8.360 nan 0.000 0.482 441 G N 1.625 110.439 108.800 0.023 0.000 2.446 441 G HA2 -0.292 3.668 3.960 0.001 0.000 0.217 441 G HA3 -0.292 3.668 3.960 0.001 0.000 0.217 441 G C 1.517 176.464 174.900 0.078 0.000 1.168 441 G CA 0.935 46.066 45.100 0.052 0.000 0.771 441 G HN 0.381 nan 8.290 nan 0.000 0.551 442 G N 0.661 109.530 108.800 0.115 0.000 2.440 442 G HA2 -0.188 3.773 3.960 0.001 0.000 0.218 442 G HA3 -0.188 3.773 3.960 0.001 0.000 0.218 442 G C 1.489 176.469 174.900 0.133 0.000 1.154 442 G CA 1.360 46.597 45.100 0.229 0.000 0.767 442 G HN 0.361 nan 8.290 nan 0.000 0.552 443 D N 0.681 121.125 120.400 0.074 0.000 2.097 443 D HA -0.057 4.583 4.640 0.001 0.000 0.197 443 D C 2.589 178.905 176.300 0.026 0.000 0.984 443 D CA 0.479 54.507 54.000 0.048 0.000 0.826 443 D CB -0.201 40.622 40.800 0.038 0.000 0.973 443 D HN 0.364 nan 8.370 nan 0.000 0.460 444 I N 0.855 121.440 120.570 0.025 0.000 2.264 444 I HA -0.259 3.911 4.170 0.001 0.000 0.248 444 I C 2.457 178.556 176.117 -0.030 0.000 1.111 444 I CA 0.804 62.114 61.300 0.017 0.000 1.382 444 I CB -0.148 37.868 38.000 0.027 0.000 1.060 444 I HN -0.023 nan 8.210 nan 0.000 0.418 445 L N -0.285 120.892 121.223 -0.076 0.000 2.072 445 L HA -0.165 4.176 4.340 0.001 0.000 0.205 445 L C 2.761 179.493 176.870 -0.229 0.000 1.079 445 L CA 1.093 55.808 54.840 -0.208 0.000 0.752 445 L CB -0.437 41.409 42.059 -0.355 0.000 0.906 445 L HN 0.093 nan 8.230 nan 0.000 0.436 446 R N 0.356 120.779 120.500 -0.129 0.000 2.083 446 R HA -0.172 4.168 4.340 0.001 0.000 0.237 446 R C 2.144 178.393 176.300 -0.084 0.000 1.137 446 R CA 1.400 57.449 56.100 -0.085 0.000 0.951 446 R CB -0.372 29.933 30.300 0.009 0.000 0.851 446 R HN 0.378 nan 8.270 nan 0.000 0.434 447 E N -0.345 119.834 120.200 -0.036 0.000 2.033 447 E HA -0.253 4.097 4.350 0.001 0.000 0.199 447 E C 1.993 178.569 176.600 -0.040 0.000 1.011 447 E CA 1.537 57.949 56.400 0.020 0.000 0.815 447 E CB -0.269 29.477 29.700 0.077 0.000 0.755 447 E HN 0.430 nan 8.360 nan 0.000 0.451 448 A N 1.008 123.738 122.820 -0.150 0.000 1.972 448 A HA -0.078 4.242 4.320 0.001 0.000 0.219 448 A C 2.403 179.440 177.584 -0.912 0.000 1.169 448 A CA 1.539 53.255 52.037 -0.535 0.000 0.635 448 A CB -0.962 17.821 19.000 -0.361 0.000 0.810 448 A HN 0.368 nan 8.150 nan 0.000 0.446 449 G N -0.561 107.940 108.800 -0.500 0.000 2.470 449 G HA2 -0.203 3.758 3.960 0.001 0.000 0.220 449 G HA3 -0.203 3.758 3.960 0.001 0.000 0.220 449 G C 1.567 176.278 174.900 -0.315 0.000 1.121 449 G CA 1.252 46.103 45.100 -0.415 0.000 0.766 449 G HN 0.489 nan 8.290 nan 0.000 0.553 450 K N 0.157 120.416 120.400 -0.235 0.000 2.097 450 K HA -0.040 4.280 4.320 0.001 0.000 0.206 450 K C 2.025 178.636 176.600 0.019 0.000 1.049 450 K CA 1.537 57.790 56.287 -0.057 0.000 0.933 450 K CB -0.193 32.341 32.500 0.057 0.000 0.717 450 K HN 0.758 nan 8.250 nan 0.000 0.442 451 W N -2.116 119.177 121.300 -0.012 0.000 3.103 451 W HA 0.426 5.087 4.660 0.001 0.000 0.325 451 W C -0.097 176.421 176.519 -0.002 0.000 1.170 451 W CA -0.436 56.906 57.345 -0.004 0.000 1.712 451 W CB -0.103 29.353 29.460 -0.007 0.000 1.068 451 W HN -0.144 nan 8.180 nan 0.000 0.592 452 S N 2.919 118.323 115.700 -0.493 0.000 2.532 452 S HA 0.366 4.836 4.470 0.001 0.000 0.318 452 S C -1.471 173.000 174.600 -0.215 0.000 1.083 452 S CA -1.327 56.651 58.200 -0.370 0.000 1.131 452 S CB 1.258 64.019 63.200 -0.732 0.000 0.973 452 S HN -0.304 nan 8.310 nan 0.000 0.468 453 P HA -0.150 nan 4.420 nan 0.000 0.216 453 P C 1.376 178.606 177.300 -0.117 0.000 1.150 453 P CA 1.020 64.150 63.100 0.051 0.000 0.837 453 P CB 0.136 32.006 31.700 0.283 0.000 0.786 454 E N -0.329 119.792 120.200 -0.131 0.000 2.152 454 E HA -0.129 4.221 4.350 0.001 0.000 0.192 454 E C 1.978 178.433 176.600 -0.242 0.000 0.983 454 E CA 0.836 57.034 56.400 -0.338 0.000 0.818 454 E CB -1.345 28.221 29.700 -0.225 0.000 0.758 454 E HN 0.213 nan 8.360 nan 0.000 0.467 455 L N 1.603 122.666 121.223 -0.265 0.000 2.056 455 L HA 0.052 4.393 4.340 0.001 0.000 0.207 455 L C 2.439 179.121 176.870 -0.313 0.000 1.078 455 L CA 1.937 56.601 54.840 -0.294 0.000 0.749 455 L CB -0.828 41.001 42.059 -0.383 0.000 0.901 455 L HN 0.111 nan 8.230 nan 0.000 0.433 456 A N -0.248 122.393 122.820 -0.299 0.000 1.908 456 A HA -0.140 4.180 4.320 0.001 0.000 0.218 456 A C 2.468 179.881 177.584 -0.284 0.000 1.181 456 A CA 1.922 53.807 52.037 -0.253 0.000 0.627 456 A CB -1.220 17.676 19.000 -0.174 0.000 0.818 456 A HN 0.584 nan 8.150 nan 0.000 0.445 457 A N -0.312 122.268 122.820 -0.399 0.000 1.933 457 A HA 0.154 4.474 4.320 0.001 0.000 0.218 457 A C 2.472 179.675 177.584 -0.636 0.000 1.175 457 A CA 2.128 53.819 52.037 -0.576 0.000 0.628 457 A CB -0.891 17.473 19.000 -1.061 0.000 0.814 457 A HN 1.032 nan 8.150 nan 0.000 0.444 458 A N -0.343 122.158 122.820 -0.530 0.000 1.897 458 A HA 0.067 4.387 4.320 0.001 0.000 0.215 458 A C 2.144 179.574 177.584 -0.257 0.000 1.181 458 A CA 1.260 53.033 52.037 -0.440 0.000 0.620 458 A CB -0.568 18.397 19.000 -0.058 0.000 0.821 458 A HN 0.446 nan 8.150 nan 0.000 0.443 459 L N -0.336 120.733 121.223 -0.256 0.000 2.042 459 L HA -0.229 4.112 4.340 0.001 0.000 0.210 459 L C 2.165 179.140 176.870 0.175 0.000 1.076 459 L CA 1.563 56.293 54.840 -0.182 0.000 0.749 459 L CB -0.684 41.137 42.059 -0.396 0.000 0.893 459 L HN 0.334 nan 8.230 nan 0.000 0.432 460 D N -0.080 120.288 120.400 -0.053 0.000 2.097 460 D HA -0.188 4.452 4.640 0.001 0.000 0.195 460 D C 2.092 178.300 176.300 -0.154 0.000 0.989 460 D CA 1.152 55.111 54.000 -0.069 0.000 0.827 460 D CB -0.115 40.599 40.800 -0.144 0.000 0.966 460 D HN 0.129 nan 8.370 nan 0.000 0.456 461 L N -0.349 120.649 121.223 -0.374 0.000 2.046 461 L HA -0.118 4.222 4.340 0.001 0.000 0.208 461 L C 1.288 177.869 176.870 -0.480 0.000 1.077 461 L CA 1.434 55.908 54.840 -0.610 0.000 0.747 461 L CB -0.300 41.043 42.059 -1.194 0.000 0.896 461 L HN 0.154 nan 8.230 nan 0.000 0.432 462 W N -0.459 120.773 121.300 -0.114 0.000 2.966 462 W HA 0.229 4.889 4.660 0.000 0.000 0.406 462 W C 1.877 178.262 176.519 -0.223 0.000 1.027 462 W CA -0.459 56.725 57.345 -0.270 0.000 1.930 462 W CB -0.387 28.691 29.460 -0.637 0.000 1.144 462 W HN 0.255 nan 8.180 nan 0.000 0.626 463 K N 1.147 121.588 120.400 0.069 0.000 2.074 463 K HA -0.209 4.111 4.320 0.001 0.000 0.209 463 K C 1.303 177.675 176.600 -0.380 0.000 1.048 463 K CA 1.575 57.692 56.287 -0.283 0.000 0.926 463 K CB 0.303 32.717 32.500 -0.144 0.000 0.713 463 K HN -0.111 nan 8.250 nan 0.000 0.444 464 E N 0.296 120.382 120.200 -0.190 0.000 2.478 464 E HA 0.014 4.364 4.350 0.001 0.000 0.194 464 E C 0.084 176.606 176.600 -0.131 0.000 1.045 464 E CA 0.155 56.456 56.400 -0.166 0.000 0.868 464 E CB 0.324 29.955 29.700 -0.114 0.000 0.885 464 E HN 0.251 nan 8.360 nan 0.000 0.505 465 I N 2.151 122.675 120.570 -0.076 0.000 2.322 465 I HA 0.171 4.341 4.170 0.001 0.000 0.292 465 I C 0.411 176.502 176.117 -0.042 0.000 1.060 465 I CA 0.022 61.291 61.300 -0.052 0.000 1.309 465 I CB 0.071 38.115 38.000 0.073 0.000 1.415 465 I HN -0.293 nan 8.210 nan 0.000 0.492 466 K N 5.562 125.796 120.400 -0.278 0.000 2.443 466 K HA 0.641 4.961 4.320 0.001 0.000 0.251 466 K C -1.438 174.832 176.600 -0.550 0.000 0.972 466 K CA -0.629 55.522 56.287 -0.227 0.000 0.833 466 K CB 2.566 34.998 32.500 -0.112 0.000 1.317 466 K HN 0.158 nan 8.250 nan 0.000 0.441 467 F N 1.544 121.566 119.950 0.121 0.000 2.532 467 F HA 0.286 4.813 4.527 0.000 0.000 0.365 467 F C -0.475 175.359 175.800 0.057 0.000 1.112 467 F CA -0.567 57.516 58.000 0.138 0.000 1.082 467 F CB 1.473 40.602 39.000 0.215 0.000 1.319 467 F HN 0.279 nan 8.300 nan 0.000 0.457 468 E N 4.039 124.169 120.200 -0.117 0.000 2.267 468 E HA 0.502 4.852 4.350 0.001 0.000 0.248 468 E C -1.286 175.071 176.600 -0.405 0.000 0.899 468 E CA -0.403 55.914 56.400 -0.139 0.000 0.764 468 E CB 1.697 31.316 29.700 -0.135 0.000 1.227 468 E HN 0.317 nan 8.360 nan 0.000 0.421 469 F N 0.279 120.282 119.950 0.088 0.000 2.650 469 F HA 0.262 4.790 4.527 0.000 0.000 0.320 469 F C 0.477 176.312 175.800 0.058 0.000 1.091 469 F CA -1.117 56.926 58.000 0.070 0.000 0.962 469 F CB 1.322 40.369 39.000 0.077 0.000 1.363 469 F HN 0.202 nan 8.300 nan 0.000 0.482 470 E N 0.794 121.153 120.200 0.265 0.000 2.376 470 E HA 0.130 4.480 4.350 0.001 0.000 0.266 470 E C -0.847 175.839 176.600 0.143 0.000 1.009 470 E CA -0.087 56.408 56.400 0.158 0.000 0.902 470 E CB 0.714 30.488 29.700 0.123 0.000 0.972 470 E HN 0.534 nan 8.360 nan 0.000 0.439 471 T N 6.538 121.162 114.554 0.116 0.000 2.779 471 T HA 0.051 4.402 4.350 0.001 0.000 0.296 471 T C 1.257 176.011 174.700 0.089 0.000 0.938 471 T CA -0.539 61.622 62.100 0.102 0.000 1.119 471 T CB 0.628 69.556 68.868 0.100 0.000 0.891 471 T HN 0.469 nan 8.240 nan 0.000 0.526 472 M N 1.674 121.321 119.600 0.078 0.000 2.236 472 M HA 0.047 4.527 4.480 0.001 0.000 0.266 472 M C 1.196 177.551 176.300 0.091 0.000 1.070 472 M CA 0.880 56.223 55.300 0.071 0.000 1.137 472 M CB -0.886 31.744 32.600 0.050 0.000 1.378 472 M HN 0.468 nan 8.290 nan 0.000 0.426 473 D N 2.482 122.946 120.400 0.106 0.000 2.713 473 D HA 0.128 4.768 4.640 0.001 0.000 0.229 473 D C -0.424 175.981 176.300 0.175 0.000 1.136 473 D CA 0.090 54.180 54.000 0.149 0.000 1.010 473 D CB -0.018 40.872 40.800 0.150 0.000 1.084 473 D HN 0.093 nan 8.370 nan 0.000 0.495 474 K N 1.187 121.674 120.400 0.145 0.000 2.185 474 K HA 0.275 4.596 4.320 0.001 0.000 0.271 474 K C 0.709 177.403 176.600 0.157 0.000 1.013 474 K CA -0.735 55.632 56.287 0.133 0.000 0.943 474 K CB 1.583 34.142 32.500 0.098 0.000 0.998 474 K HN 0.241 nan 8.250 nan 0.000 0.468 475 L N 0.000 121.306 121.223 0.138 0.000 2.949 475 L HA 0.000 4.340 4.340 0.001 0.000 0.249 475 L CA 0.000 54.924 54.840 0.140 0.000 0.813 475 L CB 0.000 42.107 42.059 0.081 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502