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 2wvw_1_D DATA FIRST_RESID 9 DATA SEQUENCE SAAGYKAGVK DYKLTYYTPD YTPKDTDLLA AFRFSPQPGV PADEAGAAIA DATA SEQUENCE AESSTGTWTT VWTDLLTDMD RYKGKCYHIE PVQGEENSYF 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 0.445 123.281 122.820 0.027 0.000 2.515 10 A HA 0.610 4.940 4.320 0.016 0.000 0.263 10 A C 0.976 178.587 177.584 0.044 0.000 1.096 10 A CA 0.159 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 1.865 nan 8.150 nan 0.000 0.505 11 A N 3.133 125.980 122.820 0.045 0.000 2.476 11 A HA 0.530 4.860 4.320 0.016 0.000 0.263 11 A C 1.185 178.799 177.584 0.050 0.000 1.342 11 A CA 0.578 52.637 52.037 0.037 0.000 0.926 11 A CB -1.205 17.809 19.000 0.024 0.000 1.019 11 A HN 2.746 nan 8.150 nan 0.000 0.515 12 G N -1.149 107.695 108.800 0.074 0.000 2.879 12 G HA2 -0.101 3.868 3.960 0.016 0.000 0.686 12 G HA3 -0.101 3.868 3.960 0.016 0.000 0.686 12 G C -0.622 174.374 174.900 0.158 0.000 1.115 12 G CA -0.255 44.900 45.100 0.093 0.000 0.770 12 G HN 1.206 nan 8.290 nan 0.000 0.601 13 Y N 2.992 123.314 120.300 0.037 0.000 2.425 13 Y HA 0.597 5.157 4.550 0.017 0.000 0.347 13 Y C 0.580 176.495 175.900 0.025 0.000 0.976 13 Y CA -1.358 56.773 58.100 0.052 0.000 1.190 13 Y CB 0.755 39.273 38.460 0.097 0.000 1.136 13 Y HN 0.623 nan 8.280 nan 0.000 0.517 14 K N 5.309 125.579 120.400 -0.218 0.000 2.367 14 K HA 0.800 5.129 4.320 0.016 0.000 0.263 14 K C -0.503 175.785 176.600 -0.520 0.000 1.000 14 K CA -0.678 55.388 56.287 -0.369 0.000 0.891 14 K CB 1.266 33.672 32.500 -0.157 0.000 1.117 14 K HN 0.587 nan 8.250 nan 0.000 0.443 15 A N 2.781 125.125 122.820 -0.793 0.000 2.406 15 A HA 0.669 4.999 4.320 0.016 0.000 0.243 15 A C 0.711 178.159 177.584 -0.226 0.000 1.082 15 A CA 0.656 52.394 52.037 -0.498 0.000 0.786 15 A CB -0.308 18.460 19.000 -0.385 0.000 1.029 15 A HN 1.207 nan 8.150 nan 0.000 0.495 16 G N -1.355 107.354 108.800 -0.151 0.000 2.357 16 G HA2 0.331 4.300 3.960 0.016 0.000 0.643 16 G HA3 0.331 4.300 3.960 0.016 0.000 0.643 16 G C -0.942 173.881 174.900 -0.127 0.000 1.358 16 G CA -0.455 44.574 45.100 -0.119 0.000 0.986 16 G HN 1.437 nan 8.290 nan 0.000 0.620 17 V N 1.568 121.428 119.914 -0.091 0.000 2.488 17 V HA 0.441 4.571 4.120 0.016 0.000 0.277 17 V C 0.704 176.753 176.094 -0.074 0.000 1.046 17 V CA 0.109 62.358 62.300 -0.086 0.000 0.986 17 V CB 1.007 32.839 31.823 0.015 0.000 0.989 17 V HN 0.686 nan 8.190 nan 0.000 0.475 18 K N 2.470 122.806 120.400 -0.106 0.000 2.238 18 K HA 0.449 4.778 4.320 0.016 0.000 0.239 18 K C -0.952 175.575 176.600 -0.122 0.000 0.987 18 K CA -1.086 55.152 56.287 -0.082 0.000 0.857 18 K CB 1.363 33.828 32.500 -0.058 0.000 1.154 18 K HN 0.524 nan 8.250 nan 0.000 0.439 19 D N 1.048 121.414 120.400 -0.056 0.000 2.455 19 D HA -0.028 4.622 4.640 0.016 0.000 0.241 19 D C 0.833 177.148 176.300 0.025 0.000 1.138 19 D CA 0.503 54.490 54.000 -0.022 0.000 0.877 19 D CB 0.361 41.182 40.800 0.035 0.000 1.187 19 D HN 0.417 nan 8.370 nan 0.000 0.451 20 Y N 1.440 121.793 120.300 0.089 0.000 2.224 20 Y HA -0.221 4.338 4.550 0.016 0.000 0.289 20 Y C 2.299 178.311 175.900 0.186 0.000 1.146 20 Y CA 1.309 59.498 58.100 0.149 0.000 1.182 20 Y CB -0.271 38.209 38.460 0.034 0.000 0.983 20 Y HN 0.459 nan 8.280 nan 0.000 0.524 21 K N 0.285 120.844 120.400 0.265 0.000 2.442 21 K HA -0.076 4.254 4.320 0.016 0.000 0.198 21 K C 1.479 178.198 176.600 0.199 0.000 1.042 21 K CA 1.231 57.652 56.287 0.224 0.000 0.958 21 K CB -0.528 32.040 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 4.264 4.340 0.016 0.000 0.209 22 L C 1.597 178.481 176.870 0.023 0.000 1.094 22 L CA 1.332 56.217 54.840 0.074 0.000 0.763 22 L CB -0.376 41.708 42.059 0.041 0.000 0.908 22 L HN 0.356 nan 8.230 nan 0.000 0.437 23 T N -2.952 111.606 114.554 0.006 0.000 3.018 23 T HA 0.029 4.389 4.350 0.016 0.000 0.246 23 T C 1.077 175.566 174.700 -0.351 0.000 1.026 23 T CA 0.419 62.376 62.100 -0.238 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 -0.522 119.818 120.300 0.067 0.000 2.445 24 Y HA 0.412 4.972 4.550 0.016 0.000 0.247 24 Y C 0.032 175.979 175.900 0.078 0.000 1.129 24 Y CA -1.282 56.837 58.100 0.032 0.000 1.251 24 Y CB 0.493 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 2.299 122.653 120.300 0.091 0.000 2.404 25 Y HA 0.405 4.964 4.550 0.016 0.000 0.344 25 Y C 0.074 176.010 175.900 0.059 0.000 0.970 25 Y CA -1.375 56.762 58.100 0.063 0.000 1.180 25 Y CB 0.647 39.138 38.460 0.051 0.000 1.138 25 Y HN 0.043 nan 8.280 nan 0.000 0.510 26 T N 5.633 120.016 114.554 -0.284 0.000 3.504 26 T HA 0.257 4.617 4.350 0.016 0.000 0.286 26 T C -2.282 172.313 174.700 -0.174 0.000 1.530 26 T CA -1.646 60.333 62.100 -0.201 0.000 1.652 26 T CB 0.899 69.732 68.868 -0.060 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 0.777 63.759 63.100 -0.198 0.000 0.770 27 P CB 0.196 31.720 31.700 -0.294 0.000 0.786 28 D N -2.106 118.298 120.400 0.006 0.000 2.340 28 D HA 0.030 4.680 4.640 0.016 0.000 0.217 28 D C 0.131 176.469 176.300 0.064 0.000 1.081 28 D CA -0.224 53.797 54.000 0.033 0.000 0.842 28 D CB -0.628 40.177 40.800 0.008 0.000 0.934 28 D HN 0.144 nan 8.370 nan 0.000 0.511 29 Y N 1.252 121.544 120.300 -0.013 0.000 2.377 29 Y HA 0.259 4.818 4.550 0.016 0.000 0.330 29 Y C -0.057 175.782 175.900 -0.101 0.000 1.108 29 Y CA -0.142 57.931 58.100 -0.046 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 9.407 123.468 114.554 -0.822 0.000 2.756 30 T HA 0.318 4.677 4.350 0.016 0.000 0.290 30 T C -2.611 171.428 174.700 -1.103 0.000 0.985 30 T CA -1.422 60.237 62.100 -0.735 0.000 0.955 30 T CB 0.940 69.562 68.868 -0.409 0.000 0.930 30 T HN 0.458 nan 8.240 nan 0.000 0.451 31 P HA 0.157 nan 4.420 nan 0.000 0.265 31 P C 0.006 177.108 177.300 -0.329 0.000 1.193 31 P CA -0.243 62.533 63.100 -0.539 0.000 0.765 31 P CB 0.594 32.035 31.700 -0.431 0.000 0.823 32 K N 1.872 122.172 120.400 -0.167 0.000 2.107 32 K HA 0.123 4.453 4.320 0.016 0.000 0.251 32 K C 0.684 177.246 176.600 -0.064 0.000 1.012 32 K CA -0.461 55.769 56.287 -0.096 0.000 0.920 32 K CB 0.426 32.912 32.500 -0.024 0.000 1.033 32 K HN 0.362 nan 8.250 nan 0.000 0.478 33 D N 0.594 120.963 120.400 -0.051 0.000 2.348 33 D HA -0.084 4.565 4.640 0.016 0.000 0.216 33 D C 1.389 177.677 176.300 -0.020 0.000 0.970 33 D CA 1.161 55.137 54.000 -0.039 0.000 0.889 33 D CB 0.092 40.874 40.800 -0.030 0.000 0.912 33 D HN 0.641 nan 8.370 nan 0.000 0.524 34 T N -2.491 112.064 114.554 0.001 0.000 3.081 34 T HA 0.028 4.388 4.350 0.016 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 0.029 0.000 1.038 34 T CB 0.364 69.257 68.868 0.041 0.000 0.962 34 T HN -0.234 nan 8.240 nan 0.000 0.516 35 D N 2.160 122.589 120.400 0.048 0.000 2.382 35 D HA 0.206 4.856 4.640 0.016 0.000 0.245 35 D C -0.170 176.152 176.300 0.036 0.000 1.120 35 D CA -0.495 53.560 54.000 0.092 0.000 0.890 35 D CB 0.813 41.670 40.800 0.095 0.000 1.201 35 D HN 0.123 nan 8.370 nan 0.000 0.433 36 L N 3.616 124.898 121.223 0.097 0.000 2.290 36 L HA 0.333 4.682 4.340 0.016 0.000 0.284 36 L C -0.969 175.909 176.870 0.014 0.000 1.078 36 L CA -0.221 54.573 54.840 -0.077 0.000 0.815 36 L CB -0.007 41.928 42.059 -0.207 0.000 1.162 36 L HN 0.285 nan 8.230 nan 0.000 0.435 37 L N 5.103 126.182 121.223 -0.241 0.000 2.325 37 L HA 0.794 5.144 4.340 0.016 0.000 0.278 37 L C -0.027 176.671 176.870 -0.286 0.000 1.023 37 L CA -0.624 54.082 54.840 -0.224 0.000 0.811 37 L CB 1.618 43.299 42.059 -0.630 0.000 1.249 37 L HN 0.761 nan 8.230 nan 0.000 0.431 38 A N 1.990 124.871 122.820 0.102 0.000 2.393 38 A HA 0.874 5.203 4.320 0.016 0.000 0.306 38 A C -0.791 176.885 177.584 0.153 0.000 1.050 38 A CA -0.540 51.525 52.037 0.047 0.000 0.724 38 A CB 1.766 20.768 19.000 0.002 0.000 1.248 38 A HN 0.748 nan 8.150 nan 0.000 0.424 39 A N 1.815 124.585 122.820 -0.083 0.000 2.273 39 A HA 0.752 5.081 4.320 0.016 0.000 0.315 39 A C -1.065 176.213 177.584 -0.510 0.000 1.256 39 A CA -0.274 51.478 52.037 -0.476 0.000 0.851 39 A CB -0.084 18.352 19.000 -0.941 0.000 1.172 39 A HN 0.631 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 5.115 4.527 0.016 0.000 0.332 40 F C 0.835 176.697 175.800 0.104 0.000 1.093 40 F CA -0.450 57.514 58.000 -0.060 0.000 1.003 40 F CB 1.717 40.681 39.000 -0.059 0.000 1.151 40 F HN 0.535 nan 8.300 nan 0.000 0.474 41 R N 4.082 124.767 120.500 0.308 0.000 2.295 41 R HA 0.518 4.868 4.340 0.016 0.000 0.324 41 R C -1.757 174.645 176.300 0.170 0.000 0.968 41 R CA -0.402 55.793 56.100 0.157 0.000 0.837 41 R CB 0.843 31.211 30.300 0.114 0.000 1.133 41 R HN 0.681 nan 8.270 nan 0.000 0.450 42 F N -0.117 119.811 119.950 -0.037 0.000 2.613 42 F HA 0.600 5.137 4.527 0.016 0.000 0.314 42 F C -1.323 174.494 175.800 0.028 0.000 1.075 42 F CA -0.954 57.028 58.000 -0.030 0.000 0.945 42 F CB 1.925 40.869 39.000 -0.094 0.000 1.310 42 F HN 0.138 nan 8.300 nan 0.000 0.467 43 S N 3.389 119.186 115.700 0.162 0.000 2.596 43 S HA 0.534 5.013 4.470 0.016 0.000 0.318 43 S C -2.850 171.890 174.600 0.233 0.000 1.097 43 S CA -1.242 57.029 58.200 0.117 0.000 1.080 43 S CB 1.599 64.831 63.200 0.052 0.000 0.991 43 S HN 0.506 nan 8.310 nan 0.000 0.471 44 P HA 0.131 nan 4.420 nan 0.000 0.274 44 P C -0.641 176.728 177.300 0.114 0.000 1.231 44 P CA -0.576 62.641 63.100 0.195 0.000 0.790 44 P CB 0.522 32.325 31.700 0.172 0.000 0.951 45 Q N 1.946 121.796 119.800 0.084 0.000 2.395 45 Q HA 0.122 4.472 4.340 0.016 0.000 0.271 45 Q C -1.794 174.236 176.000 0.050 0.000 1.026 45 Q CA -1.200 54.637 55.803 0.058 0.000 0.900 45 Q CB -0.658 28.107 28.738 0.046 0.000 1.266 45 Q HN 0.381 nan 8.270 nan 0.000 0.430 46 P HA -0.100 nan 4.420 nan 0.000 0.260 46 P C 0.578 177.895 177.300 0.027 0.000 1.172 46 P CA 1.176 64.295 63.100 0.032 0.000 0.760 46 P CB 0.189 31.903 31.700 0.023 0.000 0.773 47 G N 1.764 110.579 108.800 0.026 0.000 2.213 47 G HA2 -0.197 3.772 3.960 0.016 0.000 0.236 47 G HA3 -0.197 3.772 3.960 0.016 0.000 0.236 47 G C -0.121 174.791 174.900 0.020 0.000 0.991 47 G CA -0.152 44.960 45.100 0.020 0.000 0.629 47 G HN 0.536 nan 8.290 nan 0.000 0.517 48 V N 3.952 123.881 119.914 0.025 0.000 2.348 48 V HA 0.472 4.602 4.120 0.016 0.000 0.270 48 V C -1.275 174.815 176.094 -0.005 0.000 1.037 48 V CA -1.440 60.871 62.300 0.019 0.000 0.872 48 V CB 1.334 33.178 31.823 0.035 0.000 1.002 48 V HN 0.268 nan 8.190 nan 0.000 0.464 49 P HA 0.143 nan 4.420 nan 0.000 0.269 49 P C 0.678 177.893 177.300 -0.142 0.000 1.209 49 P CA -0.116 62.935 63.100 -0.080 0.000 0.776 49 P CB 1.264 32.919 31.700 -0.075 0.000 0.876 50 A N 3.268 125.933 122.820 -0.258 0.000 1.940 50 A HA -0.220 4.110 4.320 0.016 0.000 0.219 50 A C 1.680 179.108 177.584 -0.259 0.000 1.176 50 A CA 2.091 53.916 52.037 -0.354 0.000 0.631 50 A CB -1.170 17.245 19.000 -0.975 0.000 0.814 50 A HN 0.650 nan 8.150 nan 0.000 0.446 51 D N -0.295 119.889 120.400 -0.359 0.000 2.224 51 D HA -0.144 4.506 4.640 0.016 0.000 0.205 51 D C 1.611 177.660 176.300 -0.418 0.000 0.965 51 D CA 1.424 55.071 54.000 -0.589 0.000 0.852 51 D CB -0.529 39.709 40.800 -0.937 0.000 0.947 51 D HN 0.494 nan 8.370 nan 0.000 0.494 52 E N 1.111 121.165 120.200 -0.242 0.000 2.072 52 E HA 0.029 4.389 4.350 0.016 0.000 0.190 52 E C 2.044 178.540 176.600 -0.174 0.000 0.982 52 E CA 1.494 57.823 56.400 -0.118 0.000 0.803 52 E CB -0.487 29.194 29.700 -0.032 0.000 0.755 52 E HN 0.231 nan 8.360 nan 0.000 0.453 53 A N 0.320 122.997 122.820 -0.239 0.000 1.902 53 A HA -0.023 4.306 4.320 0.016 0.000 0.217 53 A C 2.466 179.634 177.584 -0.694 0.000 1.181 53 A CA 1.737 53.537 52.037 -0.396 0.000 0.623 53 A CB -1.360 17.458 19.000 -0.303 0.000 0.818 53 A HN 0.412 nan 8.150 nan 0.000 0.443 54 G N -0.598 107.799 108.800 -0.672 0.000 2.422 54 G HA2 0.025 3.995 3.960 0.016 0.000 0.218 54 G HA3 0.025 3.995 3.960 0.016 0.000 0.218 54 G C 1.707 176.361 174.900 -0.409 0.000 1.146 54 G CA 1.373 46.103 45.100 -0.616 0.000 0.769 54 G HN 0.789 nan 8.290 nan 0.000 0.547 55 A N 1.076 123.731 122.820 -0.275 0.000 1.930 55 A HA 0.339 4.668 4.320 0.016 0.000 0.217 55 A C 2.782 180.117 177.584 -0.415 0.000 1.175 55 A CA 2.036 53.990 52.037 -0.138 0.000 0.627 55 A CB -0.653 18.388 19.000 0.068 0.000 0.815 55 A HN 0.716 nan 8.150 nan 0.000 0.443 56 A N 0.033 122.471 122.820 -0.636 0.000 1.933 56 A HA -0.060 4.270 4.320 0.016 0.000 0.218 56 A C 2.091 178.994 177.584 -1.134 0.000 1.175 56 A CA 1.464 52.754 52.037 -1.245 0.000 0.628 56 A CB -0.575 17.825 19.000 -1.000 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 -0.893 0.000 2.179 57 I HA -0.275 3.905 4.170 0.016 0.000 0.242 57 I C 2.980 178.732 176.117 -0.608 0.000 1.088 57 I CA 1.096 61.896 61.300 -0.834 0.000 1.357 57 I CB -0.366 37.065 38.000 -0.948 0.000 1.051 57 I HN 0.346 nan 8.210 nan 0.000 0.409 58 A N 0.728 123.251 122.820 -0.495 0.000 1.902 58 A HA -0.169 4.161 4.320 0.016 0.000 0.217 58 A C 2.527 179.833 177.584 -0.463 0.000 1.181 58 A CA 1.946 53.776 52.037 -0.345 0.000 0.623 58 A CB -0.839 18.038 19.000 -0.204 0.000 0.818 58 A HN 0.441 nan 8.150 nan 0.000 0.443 59 A N -0.428 121.895 122.820 -0.828 0.000 1.855 59 A HA -0.117 4.213 4.320 0.016 0.000 0.215 59 A C 1.816 179.033 177.584 -0.611 0.000 1.191 59 A CA 1.491 52.781 52.037 -1.244 0.000 0.613 59 A CB -0.393 17.828 19.000 -1.297 0.000 0.829 59 A HN 0.457 nan 8.150 nan 0.000 0.442 60 E N 0.400 120.263 120.200 -0.561 0.000 2.502 60 E HA -0.013 4.346 4.350 0.016 0.000 0.194 60 E C 1.209 177.707 176.600 -0.169 0.000 1.062 60 E CA 0.810 57.022 56.400 -0.314 0.000 0.867 60 E CB -0.035 29.415 29.700 -0.416 0.000 0.888 60 E HN 0.706 nan 8.360 nan 0.000 0.510 61 S N -1.102 114.517 115.700 -0.136 0.000 2.578 61 S HA 0.132 4.611 4.470 0.016 0.000 0.231 61 S C 1.407 176.101 174.600 0.156 0.000 0.994 61 S CA 0.195 58.423 58.200 0.047 0.000 0.956 61 S CB 0.357 63.643 63.200 0.144 0.000 0.870 61 S HN 0.138 nan 8.310 nan 0.000 0.494 62 S N 1.577 117.320 115.700 0.071 0.000 3.889 62 S HA 0.175 4.655 4.470 0.016 0.000 0.185 62 S C 1.375 176.001 174.600 0.042 0.000 0.937 62 S CA 0.607 58.873 58.200 0.110 0.000 0.985 62 S CB -0.244 63.058 63.200 0.170 0.000 1.299 62 S HN 0.518 nan 8.310 nan 0.000 0.673 63 T N -1.085 113.499 114.554 0.050 0.000 2.986 63 T HA 0.480 4.840 4.350 0.016 0.000 0.264 63 T C 0.780 175.528 174.700 0.080 0.000 0.964 63 T CA 0.357 62.504 62.100 0.079 0.000 0.895 63 T CB 0.179 69.147 68.868 0.166 0.000 1.163 63 T HN 0.700 nan 8.240 nan 0.000 0.517 64 G N 0.254 109.064 108.800 0.017 0.000 2.434 64 G HA2 0.580 4.549 3.960 0.016 0.000 0.330 64 G HA3 0.580 4.549 3.960 0.016 0.000 0.330 64 G C -0.901 174.059 174.900 0.100 0.000 1.155 64 G CA -0.283 44.859 45.100 0.070 0.000 0.917 64 G HN 0.277 nan 8.290 nan 0.000 0.493 65 T N -1.085 113.565 114.554 0.160 0.000 2.626 65 T HA 0.421 4.780 4.350 0.016 0.000 0.279 65 T C 0.537 175.376 174.700 0.232 0.000 0.983 65 T CA -0.423 61.817 62.100 0.233 0.000 1.059 65 T CB 0.783 69.740 68.868 0.148 0.000 1.396 65 T HN 0.684 nan 8.240 nan 0.000 0.519 66 W N 0.684 122.071 121.300 0.146 0.000 2.678 66 W HA 0.306 4.976 4.660 0.016 0.000 0.256 66 W C 0.304 176.788 176.519 -0.058 0.000 1.280 66 W CA 0.427 57.805 57.345 0.055 0.000 1.345 66 W CB -1.045 28.467 29.460 0.086 0.000 1.118 66 W HN 0.527 nan 8.180 nan 0.000 0.629 67 T N 0.901 114.986 114.554 -0.782 0.000 2.883 67 T HA 0.338 4.698 4.350 0.016 0.000 0.296 67 T C -0.506 173.960 174.700 -0.390 0.000 1.117 67 T CA -0.324 61.341 62.100 -0.725 0.000 1.006 67 T CB 1.883 69.957 68.868 -1.323 0.000 1.191 67 T HN -0.230 nan 8.240 nan 0.000 0.508 68 T N 2.587 117.011 114.554 -0.216 0.000 2.834 68 T HA 0.471 4.830 4.350 0.016 0.000 0.298 68 T C 0.139 174.883 174.700 0.072 0.000 0.966 68 T CA -0.369 61.707 62.100 -0.040 0.000 1.141 68 T CB 0.115 68.994 68.868 0.018 0.000 0.905 68 T HN 0.641 nan 8.240 nan 0.000 0.535 69 V N 2.764 122.700 119.914 0.037 0.000 2.715 69 V HA 0.524 4.653 4.120 0.016 0.000 0.310 69 V C 1.044 177.028 176.094 -0.183 0.000 1.054 69 V CA -1.174 61.095 62.300 -0.051 0.000 0.928 69 V CB 1.508 33.212 31.823 -0.198 0.000 1.007 69 V HN 1.030 nan 8.190 nan 0.000 0.437 70 W N 2.140 123.099 121.300 -0.568 0.000 2.519 70 W HA -0.053 4.617 4.660 0.016 0.000 0.266 70 W C 1.376 177.694 176.519 -0.335 0.000 1.253 70 W CA 1.274 58.137 57.345 -0.803 0.000 1.274 70 W CB -1.699 27.004 29.460 -1.263 0.000 1.114 70 W HN 0.756 nan 8.180 nan 0.000 0.596 71 T N -0.760 113.109 114.554 -1.142 0.000 2.962 71 T HA -0.211 4.148 4.350 0.016 0.000 0.270 71 T C 1.080 175.516 174.700 -0.440 0.000 1.088 71 T CA 1.600 63.072 62.100 -1.047 0.000 1.127 71 T CB -0.620 67.639 68.868 -1.015 0.000 0.883 71 T HN -0.109 nan 8.240 nan 0.000 0.493 72 D N 1.819 122.049 120.400 -0.284 0.000 2.172 72 D HA -0.058 4.592 4.640 0.016 0.000 0.196 72 D C 1.724 177.981 176.300 -0.072 0.000 0.999 72 D CA 0.873 54.796 54.000 -0.128 0.000 0.856 72 D CB -0.377 40.387 40.800 -0.060 0.000 0.934 72 D HN 0.417 nan 8.370 nan 0.000 0.453 73 L N -0.084 121.108 121.223 -0.052 0.000 2.554 73 L HA 0.060 4.410 4.340 0.016 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 42.064 42.059 0.073 0.000 0.985 73 L HN 0.044 nan 8.230 nan 0.000 0.451 74 L N -1.220 119.988 121.223 -0.025 0.000 2.395 74 L HA 0.022 4.372 4.340 0.016 0.000 0.218 74 L C 1.254 178.120 176.870 -0.007 0.000 1.130 74 L CA 0.561 55.395 54.840 -0.010 0.000 0.826 74 L CB -0.072 41.949 42.059 -0.064 0.000 0.941 74 L HN 0.216 nan 8.230 nan 0.000 0.451 75 T N -2.173 112.378 114.554 -0.006 0.000 2.693 75 T HA 0.194 4.554 4.350 0.016 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 0.044 0.000 1.033 75 T CB 1.882 70.763 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 4.909 4.640 0.016 0.000 0.235 76 D C 1.271 177.630 176.300 0.100 0.000 1.117 76 D CA -0.421 53.626 54.000 0.078 0.000 0.930 76 D CB 0.282 41.090 40.800 0.013 0.000 1.010 76 D HN 0.306 nan 8.370 nan 0.000 0.514 77 M N 1.513 121.151 119.600 0.064 0.000 2.213 77 M HA -0.114 4.376 4.480 0.016 0.000 0.263 77 M C 1.062 177.352 176.300 -0.017 0.000 1.062 77 M CA 1.190 56.523 55.300 0.055 0.000 1.105 77 M CB -0.531 32.065 32.600 -0.008 0.000 1.385 77 M HN 0.347 nan 8.290 nan 0.000 0.417 78 D N -0.259 120.101 120.400 -0.066 0.000 2.178 78 D HA -0.177 4.473 4.640 0.016 0.000 0.201 78 D C 2.100 178.313 176.300 -0.145 0.000 0.980 78 D CA 1.092 55.028 54.000 -0.108 0.000 0.842 78 D CB 0.002 40.748 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 4.248 4.340 0.016 0.000 0.223 79 R C 1.028 177.053 176.300 -0.458 0.000 1.088 79 R CA 1.200 57.061 56.100 -0.397 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 0.523 120.797 120.300 -0.043 0.000 2.498 80 Y HA 0.185 4.745 4.550 0.016 0.000 0.259 80 Y C 0.098 175.987 175.900 -0.018 0.000 1.086 80 Y CA -0.255 57.825 58.100 -0.035 0.000 1.287 80 Y CB 0.227 38.666 38.460 -0.035 0.000 1.146 80 Y HN -0.033 nan 8.280 nan 0.000 0.523 81 K N 1.070 121.528 120.400 0.097 0.000 2.326 81 K HA 0.384 4.714 4.320 0.016 0.000 0.275 81 K C 0.601 177.231 176.600 0.050 0.000 1.018 81 K CA -0.092 56.273 56.287 0.130 0.000 0.962 81 K CB 0.742 33.255 32.500 0.023 0.000 0.953 81 K HN 0.119 nan 8.250 nan 0.000 0.475 82 G N 2.243 111.096 108.800 0.088 0.000 2.491 82 G HA2 0.143 4.113 3.960 0.016 0.000 0.242 82 G HA3 0.143 4.113 3.960 0.016 0.000 0.242 82 G C -0.944 173.905 174.900 -0.085 0.000 1.266 82 G CA -0.724 44.274 45.100 -0.169 0.000 0.844 82 G HN 0.609 nan 8.290 nan 0.000 0.571 83 K N 1.243 121.518 120.400 -0.208 0.000 2.604 83 K HA 0.251 4.580 4.320 0.016 0.000 0.247 83 K C -0.855 175.779 176.600 0.057 0.000 0.956 83 K CA -0.595 55.622 56.287 -0.117 0.000 0.896 83 K CB 1.786 34.040 32.500 -0.409 0.000 1.131 83 K HN 0.443 nan 8.250 nan 0.000 0.440 84 C N 5.028 124.385 119.300 0.095 0.000 2.595 84 C HA 0.158 4.627 4.460 0.016 0.000 0.374 84 C C 1.075 176.201 174.990 0.227 0.000 1.250 84 C CA -0.343 58.766 59.018 0.152 0.000 1.595 84 C CB -1.503 26.333 27.740 0.161 0.000 2.257 84 C HN 0.959 nan 8.230 nan 0.000 0.568 85 Y N 2.670 123.114 120.300 0.239 0.000 2.444 85 Y HA 0.458 5.018 4.550 0.016 0.000 0.249 85 Y C 0.758 176.851 175.900 0.322 0.000 1.134 85 Y CA -0.191 58.042 58.100 0.222 0.000 1.261 85 Y CB -0.414 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 0.331 119.359 119.070 -0.070 0.000 3.086 86 H HA 0.538 5.104 4.556 0.016 0.000 0.353 86 H C -1.972 173.543 175.328 0.310 0.000 1.134 86 H CA -0.846 55.267 56.048 0.109 0.000 1.248 86 H CB 1.945 31.679 29.762 -0.048 0.000 1.878 86 H HN 0.136 nan 8.280 nan 0.000 0.527 87 I N 4.110 124.534 120.570 -0.244 0.000 2.582 87 I HA 0.230 4.410 4.170 0.016 0.000 0.292 87 I C -0.878 175.103 176.117 -0.227 0.000 1.066 87 I CA -0.589 60.680 61.300 -0.051 0.000 1.053 87 I CB 2.357 40.403 38.000 0.076 0.000 1.241 87 I HN 0.579 nan 8.210 nan 0.000 0.421 88 E N 6.934 127.187 120.200 0.090 0.000 2.308 88 E HA 0.520 4.880 4.350 0.016 0.000 0.275 88 E C -2.964 173.755 176.600 0.198 0.000 0.890 88 E CA -2.151 54.353 56.400 0.173 0.000 0.754 88 E CB 2.453 32.352 29.700 0.332 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 0.035 177.229 177.300 -0.178 0.000 1.205 89 P CA -0.364 62.619 63.100 -0.195 0.000 0.771 89 P CB 0.856 32.448 31.700 -0.180 0.000 0.858 90 V N 2.307 121.982 119.914 -0.398 0.000 2.446 90 V HA 0.161 4.291 4.120 0.016 0.000 0.276 90 V C 1.363 177.358 176.094 -0.164 0.000 1.030 90 V CA 0.191 62.309 62.300 -0.303 0.000 1.033 90 V CB -0.502 31.023 31.823 -0.496 0.000 0.993 90 V HN 0.732 nan 8.190 nan 0.000 0.477 91 Q N 3.659 123.437 119.800 -0.036 0.000 2.247 91 Q HA 0.411 4.761 4.340 0.016 0.000 0.288 91 Q C 1.415 177.389 176.000 -0.044 0.000 1.079 91 Q CA 0.554 56.341 55.803 -0.026 0.000 0.932 91 Q CB -0.197 28.553 28.738 0.020 0.000 1.133 91 Q HN 2.072 nan 8.270 nan 0.000 0.377 92 G N 1.334 110.098 108.800 -0.059 0.000 2.176 92 G HA2 -0.181 3.788 3.960 0.016 0.000 0.253 92 G HA3 -0.181 3.788 3.960 0.016 0.000 0.253 92 G C 0.008 174.864 174.900 -0.073 0.000 0.979 92 G CA 0.279 45.348 45.100 -0.052 0.000 0.641 92 G HN 0.823 nan 8.290 nan 0.000 0.530 93 E N 0.774 120.904 120.200 -0.117 0.000 2.224 93 E HA 0.409 4.769 4.350 0.016 0.000 0.265 93 E C -0.087 176.399 176.600 -0.189 0.000 0.878 93 E CA -0.733 55.584 56.400 -0.138 0.000 0.759 93 E CB 1.294 30.902 29.700 -0.154 0.000 1.164 93 E HN 0.628 nan 8.360 nan 0.000 0.414 94 E N 2.484 122.598 120.200 -0.145 0.000 2.344 94 E HA 0.080 4.440 4.350 0.016 0.000 0.270 94 E C -0.024 176.465 176.600 -0.186 0.000 1.021 94 E CA -0.550 55.762 56.400 -0.146 0.000 0.887 94 E CB 0.392 30.043 29.700 -0.082 0.000 0.997 94 E HN 0.495 nan 8.360 nan 0.000 0.429 95 N N 1.162 119.723 118.700 -0.232 0.000 2.740 95 N HA -0.214 4.536 4.740 0.016 0.000 0.248 95 N C -1.832 173.502 175.510 -0.293 0.000 1.062 95 N CA 1.184 54.130 53.050 -0.173 0.000 0.704 95 N CB -1.014 37.458 38.487 -0.024 0.000 0.968 95 N HN 0.481 nan 8.380 nan 0.000 0.547 96 S N 0.190 115.502 115.700 -0.646 0.000 2.557 96 S HA 0.745 5.225 4.470 0.016 0.000 0.291 96 S C -1.501 172.483 174.600 -1.026 0.000 1.116 96 S CA -0.500 57.328 58.200 -0.619 0.000 0.992 96 S CB 0.584 63.530 63.200 -0.424 0.000 1.028 96 S HN 0.262 nan 8.310 nan 0.000 0.484 97 Y N 1.954 121.769 120.300 -0.808 0.000 2.581 97 Y HA 0.631 5.190 4.550 0.016 0.000 0.345 97 Y C -0.824 174.629 175.900 -0.746 0.000 1.036 97 Y CA -1.129 56.495 58.100 -0.794 0.000 1.042 97 Y CB 0.954 38.853 38.460 -0.935 0.000 1.289 97 Y HN 0.526 nan 8.280 nan 0.000 0.471 98 F N 1.398 121.355 119.950 0.012 0.000 2.415 98 F HA 0.704 5.241 4.527 0.016 0.000 0.348 98 F C 0.240 176.127 175.800 0.144 0.000 1.119 98 F CA -1.085 56.936 58.000 0.035 0.000 1.069 98 F CB 1.190 40.239 39.000 0.082 0.000 1.124 98 F HN 0.503 nan 8.300 nan 0.000 0.472 99 A N 4.326 127.362 122.820 0.360 0.000 2.304 99 A HA 0.772 5.101 4.320 0.016 0.000 0.323 99 A C -1.396 176.188 177.584 0.000 0.000 1.195 99 A CA -0.428 51.775 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 2.077 122.081 119.950 0.089 0.000 2.427 100 F HA 0.602 5.138 4.527 0.016 0.000 0.346 100 F C 0.100 175.765 175.800 -0.226 0.000 1.120 100 F CA -0.416 57.565 58.000 -0.031 0.000 1.033 100 F CB 1.543 40.416 39.000 -0.211 0.000 1.126 100 F HN 0.323 nan 8.300 nan 0.000 0.462 101 I N 2.894 123.623 120.570 0.265 0.000 2.498 101 I HA 0.628 4.808 4.170 0.016 0.000 0.290 101 I C -0.528 175.785 176.117 0.327 0.000 1.032 101 I CA -0.998 60.436 61.300 0.224 0.000 1.073 101 I CB 1.967 40.027 38.000 0.100 0.000 1.251 101 I HN 0.651 nan 8.210 nan 0.000 0.426 102 A N 6.053 129.039 122.820 0.276 0.000 2.292 102 A HA 0.760 5.090 4.320 0.016 0.000 0.319 102 A C -1.516 175.996 177.584 -0.119 0.000 1.206 102 A CA -0.231 51.911 52.037 0.175 0.000 0.835 102 A CB 0.386 19.522 19.000 0.228 0.000 1.164 102 A HN 0.584 nan 8.150 nan 0.000 0.505 103 Y N 2.252 122.659 120.300 0.178 0.000 2.341 103 Y HA 0.440 5.000 4.550 0.017 0.000 0.338 103 Y C -2.312 173.717 175.900 0.215 0.000 0.965 103 Y CA -2.496 55.729 58.100 0.208 0.000 1.108 103 Y CB 1.624 40.324 38.460 0.400 0.000 1.180 103 Y HN 0.493 nan 8.280 nan 0.000 0.458 104 P HA -0.054 nan 4.420 nan 0.000 0.267 104 P C 0.784 178.238 177.300 0.257 0.000 1.200 104 P CA -0.140 63.065 63.100 0.175 0.000 0.772 104 P CB 0.895 32.633 31.700 0.064 0.000 0.855 105 L N 2.834 124.197 121.223 0.233 0.000 2.129 105 L HA -0.203 4.147 4.340 0.016 0.000 0.212 105 L C 1.295 178.303 176.870 0.230 0.000 1.087 105 L CA 2.067 57.077 54.840 0.285 0.000 0.757 105 L CB -1.035 41.126 42.059 0.170 0.000 0.896 105 L HN 0.264 nan 8.230 nan 0.000 0.434 106 D N -0.770 119.707 120.400 0.127 0.000 2.310 106 D HA -0.110 4.539 4.640 0.016 0.000 0.212 106 D C 2.142 178.445 176.300 0.005 0.000 0.965 106 D CA 0.875 54.940 54.000 0.108 0.000 0.879 106 D CB -0.057 40.859 40.800 0.193 0.000 0.921 106 D HN 0.398 nan 8.370 nan 0.000 0.510 107 L N -0.685 120.412 121.223 -0.210 0.000 2.478 107 L HA 0.023 4.373 4.340 0.016 0.000 0.223 107 L C 0.046 176.503 176.870 -0.687 0.000 1.140 107 L CA 0.377 54.896 54.840 -0.535 0.000 0.842 107 L CB -0.134 41.430 42.059 -0.826 0.000 0.953 107 L HN -0.112 nan 8.230 nan 0.000 0.452 108 F N -0.415 119.571 119.950 0.060 0.000 2.495 108 F HA 0.325 4.861 4.527 0.015 0.000 0.327 108 F C 0.592 176.405 175.800 0.021 0.000 1.103 108 F CA -1.370 56.654 58.000 0.041 0.000 0.949 108 F CB 1.056 40.093 39.000 0.061 0.000 1.142 108 F HN -0.187 nan 8.300 nan 0.000 0.457 109 E N 1.860 122.159 120.200 0.164 0.000 2.344 109 E HA 0.114 4.474 4.350 0.016 0.000 0.270 109 E C -0.735 175.879 176.600 0.023 0.000 1.021 109 E CA -0.491 55.949 56.400 0.066 0.000 0.887 109 E CB 0.564 30.283 29.700 0.032 0.000 0.997 109 E HN 0.525 nan 8.360 nan 0.000 0.429 110 E N 2.414 122.591 120.200 -0.039 0.000 2.465 110 E HA 0.163 4.523 4.350 0.016 0.000 0.260 110 E C 0.826 177.210 176.600 -0.360 0.000 0.980 110 E CA 1.294 57.599 56.400 -0.159 0.000 0.927 110 E CB 0.575 30.208 29.700 -0.112 0.000 0.934 110 E HN 0.801 nan 8.360 nan 0.000 0.459 111 G N 2.541 110.818 108.800 -0.871 0.000 2.153 111 G HA2 -0.316 3.653 3.960 0.016 0.000 0.252 111 G HA3 -0.316 3.653 3.960 0.016 0.000 0.252 111 G C 0.263 174.744 174.900 -0.697 0.000 0.994 111 G CA 0.418 44.756 45.100 -1.270 0.000 0.698 111 G HN 0.518 nan 8.290 nan 0.000 0.521 112 S N -0.599 114.902 115.700 -0.332 0.000 2.667 112 S HA 0.531 5.011 4.470 0.016 0.000 0.304 112 S C 1.413 176.139 174.600 0.209 0.000 1.135 112 S CA 0.082 58.302 58.200 0.034 0.000 1.125 112 S CB 1.331 64.543 63.200 0.021 0.000 0.996 112 S HN 0.542 nan 8.310 nan 0.000 0.474 113 V N 4.707 124.760 119.914 0.231 0.000 2.427 113 V HA -0.111 4.019 4.120 0.016 0.000 0.248 113 V C 2.522 178.534 176.094 -0.137 0.000 1.051 113 V CA 2.341 64.602 62.300 -0.064 0.000 1.048 113 V CB -0.933 30.614 31.823 -0.461 0.000 0.666 113 V HN 0.830 nan 8.190 nan 0.000 0.456 114 T N 0.160 114.695 114.554 -0.032 0.000 2.665 114 T HA -0.260 4.100 4.350 0.016 0.000 0.268 114 T C 1.915 176.644 174.700 0.048 0.000 1.035 114 T CA 1.988 64.109 62.100 0.034 0.000 1.151 114 T CB -0.471 68.454 68.868 0.096 0.000 0.862 114 T HN 0.572 nan 8.240 nan 0.000 0.438 115 N N 0.714 119.459 118.700 0.075 0.000 2.142 115 N HA -0.055 4.694 4.740 0.016 0.000 0.186 115 N C 2.002 177.605 175.510 0.155 0.000 1.023 115 N CA 1.022 54.135 53.050 0.105 0.000 0.852 115 N CB -0.161 38.397 38.487 0.118 0.000 0.998 115 N HN 0.373 nan 8.380 nan 0.000 0.424 116 I N 1.357 122.023 120.570 0.160 0.000 2.163 116 I HA -0.293 3.887 4.170 0.016 0.000 0.243 116 I C 2.321 178.468 176.117 0.050 0.000 1.085 116 I CA 0.986 62.363 61.300 0.129 0.000 1.347 116 I CB -0.255 37.746 38.000 0.002 0.000 1.044 116 I HN 0.170 nan 8.210 nan 0.000 0.408 117 L N -0.110 121.114 121.223 0.002 0.000 2.093 117 L HA -0.186 4.164 4.340 0.016 0.000 0.208 117 L C 2.622 179.514 176.870 0.038 0.000 1.085 117 L CA 1.434 56.271 54.840 -0.005 0.000 0.755 117 L CB -0.905 41.134 42.059 -0.033 0.000 0.904 117 L HN 0.278 nan 8.230 nan 0.000 0.435 118 T N -1.010 113.576 114.554 0.054 0.000 2.759 118 T HA -0.170 4.190 4.350 0.016 0.000 0.269 118 T C 2.156 176.898 174.700 0.070 0.000 1.042 118 T CA 1.671 63.807 62.100 0.061 0.000 1.140 118 T CB -0.050 68.853 68.868 0.059 0.000 0.864 118 T HN 0.265 nan 8.240 nan 0.000 0.455 119 S N 0.810 116.559 115.700 0.081 0.000 2.335 119 S HA 0.033 4.513 4.470 0.016 0.000 0.217 119 S C 2.062 176.706 174.600 0.074 0.000 1.032 119 S CA 0.630 58.873 58.200 0.071 0.000 0.985 119 S CB -0.224 63.025 63.200 0.082 0.000 0.896 119 S HN 0.301 nan 8.310 nan 0.000 0.445 120 I N 1.681 122.279 120.570 0.047 0.000 2.315 120 I HA -0.037 4.142 4.170 0.016 0.000 0.248 120 I C 1.890 178.188 176.117 0.303 0.000 1.117 120 I CA 1.269 62.626 61.300 0.096 0.000 1.404 120 I CB -1.260 36.713 38.000 -0.045 0.000 1.071 120 I HN 0.298 nan 8.210 nan 0.000 0.419 121 V N -2.763 117.282 119.914 0.219 0.000 3.159 121 V HA 0.544 4.673 4.120 0.016 0.000 0.333 121 V C 1.682 177.871 176.094 0.158 0.000 1.424 121 V CA 0.345 62.812 62.300 0.278 0.000 1.125 121 V CB -0.319 31.511 31.823 0.012 0.000 1.075 121 V HN 0.186 nan 8.190 nan 0.000 0.482 122 G N 1.771 110.656 108.800 0.141 0.000 2.434 122 G HA2 -0.149 3.821 3.960 0.016 0.000 0.214 122 G HA3 -0.149 3.821 3.960 0.016 0.000 0.214 122 G C 1.177 176.155 174.900 0.131 0.000 1.202 122 G CA 1.356 46.518 45.100 0.103 0.000 0.788 122 G HN 0.547 nan 8.290 nan 0.000 0.539 123 N N -0.608 118.187 118.700 0.158 0.000 2.297 123 N HA 0.015 4.764 4.740 0.016 0.000 0.208 123 N C 2.175 177.827 175.510 0.237 0.000 1.176 123 N CA 0.827 53.986 53.050 0.181 0.000 0.882 123 N CB 0.568 39.152 38.487 0.163 0.000 1.134 123 N HN 0.278 nan 8.380 nan 0.000 0.489 124 V N -1.480 118.536 119.914 0.171 0.000 2.809 124 V HA 0.039 4.168 4.120 0.016 0.000 0.256 124 V C 1.616 177.731 176.094 0.035 0.000 1.080 124 V CA 1.095 63.383 62.300 -0.020 0.000 1.102 124 V CB -1.106 30.522 31.823 -0.325 0.000 0.705 124 V HN -0.091 nan 8.190 nan 0.000 0.475 125 F N 2.547 122.534 119.950 0.063 0.000 2.502 125 F HA 0.293 4.830 4.527 0.017 0.000 0.298 125 F C 2.298 178.221 175.800 0.204 0.000 1.111 125 F CA 1.186 59.258 58.000 0.119 0.000 1.445 125 F CB -0.542 38.519 39.000 0.100 0.000 1.081 125 F HN 0.344 nan 8.300 nan 0.000 0.558 126 G N -1.835 107.161 108.800 0.328 0.000 3.159 126 G HA2 0.015 3.984 3.960 0.016 0.000 0.232 126 G HA3 0.015 3.984 3.960 0.016 0.000 0.232 126 G C 0.079 175.073 174.900 0.157 0.000 1.116 126 G CA -0.221 45.011 45.100 0.220 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 0.012 0.000 2.602 127 F HA 0.179 4.716 4.527 0.016 0.000 0.385 127 F C 1.794 177.583 175.800 -0.018 0.000 1.063 127 F CA 0.125 58.108 58.000 -0.028 0.000 1.233 127 F CB 0.976 39.919 39.000 -0.094 0.000 1.067 127 F HN -0.035 nan 8.300 nan 0.000 0.564 128 K N 3.163 123.471 120.400 -0.153 0.000 2.113 128 K HA -0.209 4.121 4.320 0.016 0.000 0.208 128 K C 1.933 178.542 176.600 0.015 0.000 1.047 128 K CA 1.468 57.711 56.287 -0.073 0.000 0.928 128 K CB -0.165 32.252 32.500 -0.138 0.000 0.716 128 K HN 0.720 nan 8.250 nan 0.000 0.446 129 A N 0.708 123.574 122.820 0.077 0.000 2.209 129 A HA 0.000 4.330 4.320 0.016 0.000 0.212 129 A C 0.627 178.269 177.584 0.098 0.000 1.158 129 A CA 0.595 52.697 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 -0.553 120.083 120.570 0.109 0.000 2.433 130 I HA 0.316 4.495 4.170 0.016 0.000 0.292 130 I C 0.929 177.104 176.117 0.098 0.000 1.001 130 I CA -0.384 60.969 61.300 0.088 0.000 1.119 130 I CB 1.505 39.522 38.000 0.028 0.000 1.289 130 I HN 0.246 nan 8.210 nan 0.000 0.438 131 R N 2.884 123.447 120.500 0.104 0.000 2.075 131 R HA 0.046 4.396 4.340 0.016 0.000 0.226 131 R C 0.253 176.624 176.300 0.120 0.000 1.114 131 R CA 0.822 56.975 56.100 0.088 0.000 0.972 131 R CB 0.139 30.483 30.300 0.074 0.000 0.869 131 R HN 0.780 nan 8.270 nan 0.000 0.437 132 S N -0.372 115.432 115.700 0.172 0.000 2.550 132 S HA 0.563 5.042 4.470 0.016 0.000 0.270 132 S C -1.395 173.342 174.600 0.228 0.000 1.145 132 S CA -1.077 57.308 58.200 0.309 0.000 0.852 132 S CB 2.222 65.567 63.200 0.243 0.000 1.119 132 S HN 0.041 nan 8.310 nan 0.000 0.465 133 L N 1.377 122.706 121.223 0.176 0.000 2.493 133 L HA 0.843 5.193 4.340 0.016 0.000 0.265 133 L C -1.077 175.704 176.870 -0.149 0.000 0.954 133 L CA -0.374 54.363 54.840 -0.171 0.000 0.844 133 L CB 2.193 43.837 42.059 -0.691 0.000 1.302 133 L HN 1.054 nan 8.230 nan 0.000 0.405 134 R N 4.140 124.682 120.500 0.069 0.000 2.514 134 R HA 0.652 5.002 4.340 0.016 0.000 0.296 134 R C -1.978 174.450 176.300 0.214 0.000 1.012 134 R CA -0.644 55.587 56.100 0.218 0.000 0.897 134 R CB 1.430 31.840 30.300 0.184 0.000 1.184 134 R HN 0.644 nan 8.270 nan 0.000 0.440 135 L N 4.136 125.512 121.223 0.255 0.000 2.369 135 L HA 0.308 4.658 4.340 0.016 0.000 0.279 135 L C 0.350 177.163 176.870 -0.095 0.000 1.108 135 L CA 0.652 55.441 54.840 -0.085 0.000 0.852 135 L CB 1.042 43.054 42.059 -0.078 0.000 1.169 135 L HN 0.822 nan 8.230 nan 0.000 0.452 136 E N 2.309 122.343 120.200 -0.276 0.000 2.166 136 E HA 0.122 4.482 4.350 0.016 0.000 0.192 136 E C -0.272 176.153 176.600 -0.291 0.000 0.967 136 E CA 0.457 56.665 56.400 -0.320 0.000 0.840 136 E CB 0.402 29.621 29.700 -0.801 0.000 0.795 136 E HN 0.685 nan 8.360 nan 0.000 0.470 137 D N -1.001 119.205 120.400 -0.324 0.000 2.663 137 D HA 0.384 5.034 4.640 0.016 0.000 0.233 137 D C -1.431 174.871 176.300 0.003 0.000 1.240 137 D CA -0.478 53.474 54.000 -0.080 0.000 0.774 137 D CB 1.624 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 1.619 122.165 120.570 -0.040 0.000 2.499 138 I HA 0.352 4.532 4.170 0.016 0.000 0.288 138 I C -0.004 175.855 176.117 -0.431 0.000 1.048 138 I CA -0.834 60.247 61.300 -0.364 0.000 1.062 138 I CB 2.204 39.735 38.000 -0.783 0.000 1.238 138 I HN 0.097 nan 8.210 nan 0.000 0.426 139 R N 6.163 126.269 120.500 -0.658 0.000 2.210 139 R HA 0.365 4.715 4.340 0.016 0.000 0.338 139 R C -1.420 174.536 176.300 -0.572 0.000 1.062 139 R CA -0.419 55.358 56.100 -0.539 0.000 0.902 139 R CB 0.394 30.323 30.300 -0.618 0.000 1.050 139 R HN 0.339 nan 8.270 nan 0.000 0.461 140 F N 7.093 126.835 119.950 -0.347 0.000 2.444 140 F HA 0.260 4.798 4.527 0.017 0.000 0.360 140 F C -1.364 174.259 175.800 -0.294 0.000 1.106 140 F CA -2.072 55.721 58.000 -0.345 0.000 1.170 140 F CB 0.785 39.531 39.000 -0.424 0.000 1.113 140 F HN 0.409 nan 8.300 nan 0.000 0.521 141 P HA -0.008 nan 4.420 nan 0.000 0.269 141 P C 0.889 178.179 177.300 -0.018 0.000 1.209 141 P CA -0.020 63.053 63.100 -0.045 0.000 0.776 141 P CB 1.376 33.068 31.700 -0.012 0.000 0.876 142 V N 2.646 122.544 119.914 -0.025 0.000 2.469 142 V HA -0.275 3.855 4.120 0.016 0.000 0.251 142 V C 2.580 178.695 176.094 0.035 0.000 1.064 142 V CA 2.740 65.037 62.300 -0.005 0.000 1.066 142 V CB -1.555 30.270 31.823 0.003 0.000 0.667 142 V HN 0.689 nan 8.190 nan 0.000 0.461 143 A N -0.699 122.144 122.820 0.039 0.000 2.015 143 A HA -0.140 4.190 4.320 0.016 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 -0.355 18.675 19.000 0.050 0.000 0.806 143 A HN 0.455 nan 8.150 nan 0.000 0.448 144 L N -0.648 120.637 121.223 0.103 0.000 2.162 144 L HA 0.040 4.389 4.340 0.016 0.000 0.205 144 L C 2.310 179.337 176.870 0.262 0.000 1.086 144 L CA 1.310 56.252 54.840 0.170 0.000 0.778 144 L CB -0.327 41.843 42.059 0.183 0.000 0.928 144 L HN 0.117 nan 8.230 nan 0.000 0.446 145 V N 0.001 120.012 119.914 0.162 0.000 2.392 145 V HA -0.288 3.842 4.120 0.016 0.000 0.249 145 V C 2.443 178.679 176.094 0.236 0.000 1.059 145 V CA 1.607 63.996 62.300 0.148 0.000 1.051 145 V CB -0.769 31.060 31.823 0.009 0.000 0.658 145 V HN 0.411 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 -0.065 4.265 4.320 0.016 0.000 0.195 146 K C 2.018 178.674 176.600 0.095 0.000 1.036 146 K CA 1.453 57.811 56.287 0.119 0.000 0.984 146 K CB -0.292 32.253 32.500 0.076 0.000 0.788 146 K HN 0.737 nan 8.250 nan 0.000 0.488 147 T N -1.890 112.717 114.554 0.089 0.000 3.100 147 T HA 0.087 4.447 4.350 0.016 0.000 0.253 147 T C 0.511 175.093 174.700 -0.197 0.000 1.118 147 T CA -0.104 61.950 62.100 -0.077 0.000 1.058 147 T CB -0.182 68.581 68.868 -0.176 0.000 0.953 147 T HN -0.162 nan 8.240 nan 0.000 0.515 148 F N 1.272 121.219 119.950 -0.006 0.000 2.432 148 F HA 0.484 5.021 4.527 0.017 0.000 0.329 148 F C 1.648 177.442 175.800 -0.010 0.000 1.076 148 F CA -1.223 56.768 58.000 -0.015 0.000 1.018 148 F CB 1.794 40.772 39.000 -0.036 0.000 1.201 148 F HN -0.112 nan 8.300 nan 0.000 0.489 149 Q N 2.031 121.934 119.800 0.173 0.000 2.049 149 Q HA 0.208 4.558 4.340 0.016 0.000 0.198 149 Q C 1.053 177.091 176.000 0.064 0.000 0.971 149 Q CA 1.221 57.072 55.803 0.081 0.000 0.833 149 Q CB -0.106 28.654 28.738 0.038 0.000 0.896 149 Q HN 1.000 nan 8.270 nan 0.000 0.434 150 G N 0.352 109.196 108.800 0.074 0.000 2.632 150 G HA2 -0.240 3.730 3.960 0.016 0.000 0.224 150 G HA3 -0.240 3.730 3.960 0.016 0.000 0.224 150 G C -2.511 172.356 174.900 -0.056 0.000 1.341 150 G CA -0.421 44.672 45.100 -0.011 0.000 0.880 150 G HN 0.335 nan 8.290 nan 0.000 0.566 151 P HA 0.182 nan 4.420 nan 0.000 0.262 151 P C -1.684 175.531 177.300 -0.142 0.000 1.182 151 P CA -0.273 62.762 63.100 -0.108 0.000 0.761 151 P CB 0.390 32.027 31.700 -0.106 0.000 0.795 152 P HA -0.190 nan 4.420 nan 0.000 0.216 152 P C 0.763 177.597 177.300 -0.777 0.000 1.150 152 P CA 1.923 64.765 63.100 -0.431 0.000 0.843 152 P CB 0.016 31.488 31.700 -0.380 0.000 0.787 153 H N -3.743 115.306 119.070 -0.035 0.000 1.955 153 H HA 0.345 4.911 4.556 0.015 0.000 0.196 153 H C 1.219 176.537 175.328 -0.017 0.000 0.891 153 H CA 0.937 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 0.100 nan 8.280 nan 0.000 0.384 154 G N 1.235 110.091 108.800 0.092 0.000 2.756 154 G HA2 -0.210 3.760 3.960 0.016 0.000 0.678 154 G HA3 -0.210 3.760 3.960 0.016 0.000 0.678 154 G C 0.819 175.762 174.900 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 0.517 121.114 120.570 0.044 0.000 2.091 155 I HA -0.299 3.881 4.170 0.016 0.000 0.239 155 I C 3.041 179.203 176.117 0.075 0.000 1.061 155 I CA 2.822 64.156 61.300 0.058 0.000 1.317 155 I CB -0.408 37.613 38.000 0.036 0.000 1.031 155 I HN 0.838 nan 8.210 nan 0.000 0.401 156 Q N 0.649 120.492 119.800 0.073 0.000 2.119 156 Q HA -0.109 4.241 4.340 0.016 0.000 0.201 156 Q C 2.033 178.094 176.000 0.102 0.000 0.972 156 Q CA 1.585 57.445 55.803 0.094 0.000 0.847 156 Q CB -0.678 28.109 28.738 0.082 0.000 0.903 156 Q HN 0.308 nan 8.270 nan 0.000 0.433 157 V N 1.387 121.357 119.914 0.093 0.000 2.427 157 V HA -0.241 3.889 4.120 0.016 0.000 0.248 157 V C 2.360 178.497 176.094 0.072 0.000 1.051 157 V CA 2.077 64.435 62.300 0.097 0.000 1.048 157 V CB -0.643 31.257 31.823 0.129 0.000 0.666 157 V HN 0.547 nan 8.190 nan 0.000 0.456 158 E N 0.432 120.679 120.200 0.077 0.000 2.051 158 E HA -0.229 4.131 4.350 0.016 0.000 0.192 158 E C 2.461 179.073 176.600 0.020 0.000 0.991 158 E CA 1.236 57.666 56.400 0.049 0.000 0.799 158 E CB -0.058 29.706 29.700 0.106 0.000 0.748 158 E HN 0.526 nan 8.360 nan 0.000 0.449 159 R N 0.507 121.016 120.500 0.015 0.000 2.091 159 R HA -0.135 4.215 4.340 0.016 0.000 0.238 159 R C 1.899 178.063 176.300 -0.227 0.000 1.136 159 R CA 1.487 57.517 56.100 -0.117 0.000 0.959 159 R CB -0.319 29.970 30.300 -0.017 0.000 0.856 159 R HN 0.289 nan 8.270 nan 0.000 0.437 160 D N 0.934 121.339 120.400 0.008 0.000 2.144 160 D HA -0.089 4.560 4.640 0.016 0.000 0.200 160 D C 2.059 178.365 176.300 0.011 0.000 0.978 160 D CA 0.917 54.970 54.000 0.088 0.000 0.833 160 D CB -0.127 40.759 40.800 0.143 0.000 0.961 160 D HN 0.173 nan 8.370 nan 0.000 0.470 161 L N 0.015 121.229 121.223 -0.015 0.000 2.093 161 L HA -0.063 4.286 4.340 0.016 0.000 0.208 161 L C 2.160 179.004 176.870 -0.042 0.000 1.085 161 L CA 0.696 55.518 54.840 -0.030 0.000 0.755 161 L CB -0.094 41.926 42.059 -0.065 0.000 0.904 161 L HN 0.014 nan 8.230 nan 0.000 0.435 162 L N -1.314 119.865 121.223 -0.072 0.000 2.585 162 L HA 0.124 4.474 4.340 0.016 0.000 0.226 162 L C 0.337 177.116 176.870 -0.152 0.000 1.113 162 L CA -0.134 54.660 54.840 -0.076 0.000 0.876 162 L CB -0.071 41.971 42.059 -0.029 0.000 1.072 162 L HN 0.303 nan 8.230 nan 0.000 0.468 163 N N 1.276 119.830 118.700 -0.244 0.000 2.735 163 N HA -0.165 4.584 4.740 0.016 0.000 0.248 163 N C -0.243 175.003 175.510 -0.439 0.000 1.083 163 N CA 0.899 53.765 53.050 -0.306 0.000 0.703 163 N CB -0.738 37.703 38.487 -0.077 0.000 1.005 163 N HN 0.198 nan 8.380 nan 0.000 0.550 164 K N 0.988 121.003 120.400 -0.641 0.000 2.449 164 K HA 0.424 4.754 4.320 0.016 0.000 0.257 164 K C -1.092 175.219 176.600 -0.482 0.000 0.989 164 K CA -0.175 55.872 56.287 -0.401 0.000 0.916 164 K CB 0.553 32.916 32.500 -0.228 0.000 1.136 164 K HN 0.080 nan 8.250 nan 0.000 0.439 165 Y N -0.007 120.300 120.300 0.011 0.000 2.512 165 Y HA 0.515 5.074 4.550 0.016 0.000 0.348 165 Y C 1.233 177.142 175.900 0.015 0.000 0.990 165 Y CA -0.894 57.216 58.100 0.017 0.000 1.033 165 Y CB 2.613 41.082 38.460 0.015 0.000 1.259 165 Y HN 0.603 nan 8.280 nan 0.000 0.461 166 G N 1.290 110.204 108.800 0.190 0.000 2.176 166 G HA2 -0.116 3.853 3.960 0.016 0.000 0.232 166 G HA3 -0.116 3.853 3.960 0.016 0.000 0.232 166 G C -0.183 174.767 174.900 0.082 0.000 0.986 166 G CA 0.058 45.228 45.100 0.116 0.000 0.643 166 G HN 0.831 nan 8.290 nan 0.000 0.522 167 R N -0.864 119.681 120.500 0.075 0.000 2.741 167 R HA 0.538 4.888 4.340 0.016 0.000 0.276 167 R C -3.505 172.828 176.300 0.055 0.000 1.028 167 R CA -1.363 54.773 56.100 0.061 0.000 0.865 167 R CB -0.252 30.078 30.300 0.051 0.000 1.268 167 R HN 0.003 nan 8.270 nan 0.000 0.475 168 P HA 0.136 nan 4.420 nan 0.000 0.267 168 P C -0.238 177.086 177.300 0.039 0.000 1.200 168 P CA 0.157 63.288 63.100 0.053 0.000 0.772 168 P CB 0.381 32.123 31.700 0.071 0.000 0.855 169 M N 1.709 121.332 119.600 0.039 0.000 2.291 169 M HA 0.345 4.834 4.480 0.016 0.000 0.324 169 M C -0.073 176.273 176.300 0.077 0.000 1.148 169 M CA -0.302 55.021 55.300 0.039 0.000 1.104 169 M CB 0.518 33.184 32.600 0.109 0.000 1.483 169 M HN 0.131 nan 8.290 nan 0.000 0.467 170 L N 0.787 122.045 121.223 0.058 0.000 2.362 170 L HA 0.796 5.146 4.340 0.016 0.000 0.275 170 L C 0.111 177.066 176.870 0.141 0.000 0.998 170 L CA -0.514 54.395 54.840 0.115 0.000 0.820 170 L CB 1.910 44.019 42.059 0.082 0.000 1.270 170 L HN 0.838 nan 8.230 nan 0.000 0.415 171 G N 0.546 109.440 108.800 0.157 0.000 3.105 171 G HA2 0.651 4.620 3.960 0.016 0.000 0.277 171 G HA3 0.651 4.620 3.960 0.016 0.000 0.277 171 G C -1.849 173.080 174.900 0.048 0.000 1.375 171 G CA -0.535 44.625 45.100 0.099 0.000 0.962 171 G HN 0.691 nan 8.290 nan 0.000 0.541 172 C N -0.056 119.217 119.300 -0.045 0.000 3.135 172 C HA 0.600 5.070 4.460 0.016 0.000 0.428 172 C C -0.360 174.586 174.990 -0.073 0.000 0.972 172 C CA -0.502 58.504 59.018 -0.020 0.000 1.218 172 C CB 0.341 28.087 27.740 0.010 0.000 1.595 172 C HN 0.868 nan 8.230 nan 0.000 0.576 173 T N 7.178 121.714 114.554 -0.030 0.000 2.780 173 T HA 0.406 4.766 4.350 0.016 0.000 0.294 173 T C 0.541 175.236 174.700 -0.008 0.000 0.949 173 T CA -0.312 61.784 62.100 -0.007 0.000 1.074 173 T CB 0.401 69.300 68.868 0.053 0.000 0.910 173 T HN 0.581 nan 8.240 nan 0.000 0.501 174 I N 3.849 124.401 120.570 -0.030 0.000 2.648 174 I HA 0.208 4.388 4.170 0.016 0.000 0.284 174 I C 0.692 176.804 176.117 -0.008 0.000 1.153 174 I CA 0.083 61.318 61.300 -0.108 0.000 1.426 174 I CB -0.088 37.645 38.000 -0.446 0.000 1.381 174 I HN 0.466 nan 8.210 nan 0.000 0.571 175 K N 6.343 126.737 120.400 -0.011 0.000 2.443 175 K HA 0.564 4.894 4.320 0.016 0.000 0.251 175 K C -2.430 174.188 176.600 0.029 0.000 0.972 175 K CA -1.638 54.669 56.287 0.035 0.000 0.833 175 K CB 1.497 34.020 32.500 0.037 0.000 1.317 175 K HN 0.301 nan 8.250 nan 0.000 0.441 176 P HA 0.108 nan 4.420 nan 0.000 0.269 176 P C 0.257 177.596 177.300 0.065 0.000 1.217 176 P CA -0.094 63.027 63.100 0.034 0.000 0.783 176 P CB 0.829 32.529 31.700 -0.001 0.000 0.898 177 K N 0.240 120.673 120.400 0.055 0.000 2.044 177 K HA -0.081 4.249 4.320 0.016 0.000 0.210 177 K C 0.730 177.387 176.600 0.094 0.000 1.049 177 K CA 1.284 57.621 56.287 0.084 0.000 0.927 177 K CB -0.279 32.254 32.500 0.054 0.000 0.713 177 K HN 0.410 nan 8.250 nan 0.000 0.443 178 L N -2.142 119.066 121.223 -0.024 0.000 2.371 178 L HA 0.431 4.780 4.340 0.016 0.000 0.262 178 L C 0.606 177.167 176.870 -0.515 0.000 1.006 178 L CA -0.395 54.311 54.840 -0.223 0.000 0.818 178 L CB 2.373 44.332 42.059 -0.166 0.000 1.354 178 L HN 0.405 nan 8.230 nan 0.000 0.415 179 G N 1.289 109.395 108.800 -1.157 0.000 2.380 179 G HA2 -0.148 3.821 3.960 0.016 0.000 0.197 179 G HA3 -0.148 3.821 3.960 0.016 0.000 0.197 179 G C -0.186 174.524 174.900 -0.317 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 2.823 124.001 121.223 -0.074 0.000 2.371 180 L HA 0.543 4.893 4.340 0.016 0.000 0.272 180 L C 1.534 178.552 176.870 0.247 0.000 1.124 180 L CA -0.034 54.888 54.840 0.137 0.000 0.816 180 L CB 1.428 43.651 42.059 0.274 0.000 1.129 180 L HN 0.475 nan 8.230 nan 0.000 0.448 181 S N 1.976 117.772 115.700 0.161 0.000 2.608 181 S HA 0.249 4.729 4.470 0.016 0.000 0.261 181 S C 1.147 175.790 174.600 0.070 0.000 1.314 181 S CA -0.096 58.170 58.200 0.111 0.000 0.992 181 S CB 1.403 64.615 63.200 0.020 0.000 0.935 181 S HN 0.700 nan 8.310 nan 0.000 0.564 182 A N 1.326 124.132 122.820 -0.023 0.000 1.908 182 A HA -0.104 4.225 4.320 0.016 0.000 0.218 182 A C 2.121 179.551 177.584 -0.257 0.000 1.181 182 A CA 2.090 54.101 52.037 -0.043 0.000 0.627 182 A CB -1.099 17.927 19.000 0.044 0.000 0.818 182 A HN 0.940 nan 8.150 nan 0.000 0.445 183 K N 0.165 120.170 120.400 -0.659 0.000 2.057 183 K HA -0.113 4.217 4.320 0.016 0.000 0.206 183 K C 1.595 178.057 176.600 -0.229 0.000 1.050 183 K CA 1.855 57.669 56.287 -0.788 0.000 0.935 183 K CB -0.290 31.769 32.500 -0.735 0.000 0.715 183 K HN 0.395 nan 8.250 nan 0.000 0.439 184 N N -0.527 118.115 118.700 -0.096 0.000 2.309 184 N HA -0.124 4.626 4.740 0.016 0.000 0.182 184 N C 1.381 176.933 175.510 0.071 0.000 1.018 184 N CA 0.826 53.880 53.050 0.005 0.000 0.876 184 N CB -0.263 38.241 38.487 0.029 0.000 0.972 184 N HN 0.245 nan 8.380 nan 0.000 0.434 185 Y N 1.148 121.438 120.300 -0.016 0.000 2.133 185 Y HA -0.061 4.499 4.550 0.017 0.000 0.287 185 Y C 2.418 178.334 175.900 0.026 0.000 1.134 185 Y CA 1.789 59.908 58.100 0.032 0.000 1.133 185 Y CB -0.662 37.837 38.460 0.066 0.000 0.987 185 Y HN 0.058 nan 8.280 nan 0.000 0.502 186 G N -0.568 108.332 108.800 0.166 0.000 2.432 186 G HA2 -0.270 3.699 3.960 0.016 0.000 0.219 186 G HA3 -0.270 3.699 3.960 0.016 0.000 0.219 186 G C 1.796 176.759 174.900 0.106 0.000 1.135 186 G CA 0.762 45.938 45.100 0.126 0.000 0.767 186 G HN 0.310 nan 8.290 nan 0.000 0.550 187 R N 0.493 121.044 120.500 0.084 0.000 2.080 187 R HA -0.045 4.305 4.340 0.016 0.000 0.236 187 R C 2.878 179.229 176.300 0.084 0.000 1.137 187 R CA 1.600 57.766 56.100 0.111 0.000 0.943 187 R CB -0.433 29.907 30.300 0.066 0.000 0.846 187 R HN 0.276 nan 8.270 nan 0.000 0.431 188 A N 0.182 123.003 122.820 0.001 0.000 1.933 188 A HA -0.105 4.224 4.320 0.016 0.000 0.218 188 A C 2.282 179.831 177.584 -0.059 0.000 1.175 188 A CA 1.583 53.589 52.037 -0.051 0.000 0.628 188 A CB -0.495 18.431 19.000 -0.124 0.000 0.814 188 A HN 0.252 nan 8.150 nan 0.000 0.444 189 V N -1.202 118.680 119.914 -0.052 0.000 2.295 189 V HA -0.272 3.858 4.120 0.016 0.000 0.246 189 V C 2.370 178.484 176.094 0.033 0.000 1.049 189 V CA 2.124 64.416 62.300 -0.012 0.000 1.024 189 V CB -1.044 30.761 31.823 -0.030 0.000 0.648 189 V HN 0.742 nan 8.190 nan 0.000 0.447 190 Y N 1.555 121.844 120.300 -0.017 0.000 2.128 190 Y HA -0.233 4.326 4.550 0.016 0.000 0.284 190 Y C 2.551 178.449 175.900 -0.003 0.000 1.154 190 Y CA 1.978 60.077 58.100 -0.002 0.000 1.149 190 Y CB -0.395 38.071 38.460 0.011 0.000 0.976 190 Y HN 0.278 nan 8.280 nan 0.000 0.505 191 E N -0.531 119.449 120.200 -0.367 0.000 2.106 191 E HA -0.190 4.169 4.350 0.016 0.000 0.192 191 E C 2.495 178.934 176.600 -0.267 0.000 0.984 191 E CA 1.307 57.456 56.400 -0.419 0.000 0.806 191 E CB -0.866 28.725 29.700 -0.181 0.000 0.750 191 E HN 0.550 nan 8.360 nan 0.000 0.458 192 C N 0.669 119.873 119.300 -0.160 0.000 2.462 192 C HA -0.066 4.404 4.460 0.016 0.000 0.278 192 C C 2.863 177.785 174.990 -0.114 0.000 1.253 192 C CA 0.373 59.325 59.018 -0.110 0.000 1.713 192 C CB -1.110 26.593 27.740 -0.062 0.000 2.049 192 C HN 0.360 nan 8.230 nan 0.000 0.477 193 L N 1.192 122.354 121.223 -0.101 0.000 2.093 193 L HA -0.142 4.207 4.340 0.016 0.000 0.208 193 L C 2.903 179.714 176.870 -0.099 0.000 1.085 193 L CA 1.694 56.491 54.840 -0.071 0.000 0.755 193 L CB -0.739 41.315 42.059 -0.009 0.000 0.904 193 L HN 0.482 nan 8.230 nan 0.000 0.435 194 R N 0.469 120.858 120.500 -0.185 0.000 2.193 194 R HA -0.078 4.272 4.340 0.016 0.000 0.229 194 R C 1.876 178.097 176.300 -0.131 0.000 1.110 194 R CA 1.351 57.346 56.100 -0.174 0.000 0.988 194 R CB -0.698 29.378 30.300 -0.372 0.000 0.871 194 R HN 0.255 nan 8.270 nan 0.000 0.458 195 G N -0.706 108.008 108.800 -0.143 0.000 2.880 195 G HA2 0.261 4.231 3.960 0.016 0.000 0.209 195 G HA3 0.261 4.231 3.960 0.016 0.000 0.209 195 G C 0.897 175.744 174.900 -0.088 0.000 1.157 195 G CA 0.254 45.285 45.100 -0.114 0.000 0.779 195 G HN 0.589 nan 8.290 nan 0.000 0.539 196 G N -0.760 107.992 108.800 -0.081 0.000 2.273 196 G HA2 -0.172 3.798 3.960 0.016 0.000 0.162 196 G HA3 -0.172 3.798 3.960 0.016 0.000 0.162 196 G C 0.274 175.128 174.900 -0.076 0.000 1.006 196 G CA -0.334 44.725 45.100 -0.068 0.000 0.704 196 G HN 0.320 nan 8.290 nan 0.000 0.487 197 L N 1.399 122.575 121.223 -0.078 0.000 2.417 197 L HA 0.339 4.689 4.340 0.016 0.000 0.268 197 L C 1.125 177.918 176.870 -0.127 0.000 1.158 197 L CA -0.602 54.194 54.840 -0.073 0.000 0.819 197 L CB 0.592 42.627 42.059 -0.041 0.000 1.112 197 L HN 0.017 nan 8.230 nan 0.000 0.458 198 D N 1.536 121.810 120.400 -0.210 0.000 2.162 198 D HA 0.015 4.665 4.640 0.016 0.000 0.203 198 D C -0.111 175.865 176.300 -0.541 0.000 0.967 198 D CA 1.570 55.284 54.000 -0.477 0.000 0.840 198 D CB 0.270 40.613 40.800 -0.762 0.000 0.972 198 D HN 0.147 nan 8.370 nan 0.000 0.482 199 F N -0.077 119.835 119.950 -0.063 0.000 2.588 199 F HA 0.307 4.844 4.527 0.016 0.000 0.314 199 F C 0.620 176.271 175.800 -0.249 0.000 1.069 199 F CA -1.052 56.844 58.000 -0.172 0.000 0.931 199 F CB 1.780 40.626 39.000 -0.258 0.000 1.260 199 F HN -0.345 nan 8.300 nan 0.000 0.465 200 T N -1.114 113.384 114.554 -0.094 0.000 2.927 200 T HA 0.846 5.206 4.350 0.016 0.000 0.286 200 T C -1.090 173.156 174.700 -0.756 0.000 1.040 200 T CA -1.027 60.937 62.100 -0.225 0.000 1.010 200 T CB 2.530 71.437 68.868 0.066 0.000 1.177 200 T HN 0.760 nan 8.240 nan 0.000 0.546 201 K N -0.200 119.797 120.400 -0.673 0.000 2.546 201 K HA 0.463 4.793 4.320 0.016 0.000 0.264 201 K C -1.841 174.629 176.600 -0.216 0.000 0.937 201 K CA -0.897 54.924 56.287 -0.778 0.000 0.833 201 K CB 1.505 33.683 32.500 -0.536 0.000 1.378 201 K HN 0.385 nan 8.250 nan 0.000 0.432 202 D N 1.771 122.166 120.400 -0.009 0.000 2.423 202 D HA 0.022 4.672 4.640 0.016 0.000 0.238 202 D C -0.276 176.138 176.300 0.190 0.000 1.142 202 D CA 0.490 54.676 54.000 0.310 0.000 0.884 202 D CB 0.594 41.564 40.800 0.283 0.000 1.199 202 D HN 0.393 nan 8.370 nan 0.000 0.438 203 D N 1.062 121.596 120.400 0.223 0.000 2.382 203 D HA -0.075 4.575 4.640 0.016 0.000 0.240 203 D C 1.538 177.839 176.300 0.001 0.000 1.146 203 D CA -0.136 53.929 54.000 0.107 0.000 0.897 203 D CB 0.817 41.693 40.800 0.126 0.000 1.197 203 D HN 0.412 nan 8.370 nan 0.000 0.432 204 E N 2.291 122.373 120.200 -0.196 0.000 2.160 204 E HA -0.251 4.109 4.350 0.016 0.000 0.195 204 E C 0.671 177.175 176.600 -0.159 0.000 0.991 204 E CA 1.176 57.346 56.400 -0.383 0.000 0.810 204 E CB -0.312 28.788 29.700 -1.001 0.000 0.742 204 E HN 0.474 nan 8.360 nan 0.000 0.466 205 N N 0.948 119.606 118.700 -0.070 0.000 2.270 205 N HA 0.021 4.771 4.740 0.016 0.000 0.198 205 N C 0.268 175.814 175.510 0.059 0.000 1.117 205 N CA -0.168 52.879 53.050 -0.006 0.000 0.845 205 N CB 0.065 38.559 38.487 0.013 0.000 0.980 205 N HN 0.075 nan 8.380 nan 0.000 0.486 206 I N 1.931 122.549 120.570 0.080 0.000 2.347 206 I HA 0.135 4.315 4.170 0.016 0.000 0.294 206 I C 0.252 176.420 176.117 0.085 0.000 1.090 206 I CA 0.144 61.509 61.300 0.109 0.000 1.314 206 I CB -0.329 37.743 38.000 0.120 0.000 1.423 206 I HN 0.198 nan 8.210 nan 0.000 0.503 207 N N 3.362 122.097 118.700 0.058 0.000 3.189 207 N HA 0.143 4.892 4.740 0.016 0.000 0.204 207 N C -0.209 175.339 175.510 0.062 0.000 1.231 207 N CA -0.268 52.813 53.050 0.052 0.000 1.130 207 N CB 0.617 39.107 38.487 0.005 0.000 1.393 207 N HN 0.396 nan 8.380 nan 0.000 0.540 208 S N 0.225 115.929 115.700 0.007 0.000 2.649 208 S HA 0.433 4.913 4.470 0.016 0.000 0.274 208 S C -1.894 172.633 174.600 -0.123 0.000 1.176 208 S CA -0.411 57.791 58.200 0.004 0.000 0.988 208 S CB 1.245 64.550 63.200 0.175 0.000 1.071 208 S HN 0.253 nan 8.310 nan 0.000 0.478 209 Q N 3.249 122.859 119.800 -0.316 0.000 2.553 209 Q HA 0.489 4.839 4.340 0.016 0.000 0.293 209 Q C -2.115 173.591 176.000 -0.490 0.000 1.038 209 Q CA -1.791 53.751 55.803 -0.436 0.000 0.777 209 Q CB 1.737 30.051 28.738 -0.708 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 0.574 177.783 177.300 -0.152 0.000 1.150 210 P CA 1.385 64.391 63.100 -0.156 0.000 0.843 210 P CB 0.054 31.741 31.700 -0.021 0.000 0.787 211 F N -1.585 118.364 119.950 -0.002 0.000 2.558 211 F HA 0.174 4.711 4.527 0.018 0.000 0.298 211 F C 0.789 176.581 175.800 -0.014 0.000 1.119 211 F CA 0.153 58.151 58.000 -0.004 0.000 1.451 211 F CB -0.638 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 1.178 120.673 119.800 -0.508 0.000 2.605 212 Q HA 0.258 4.608 4.340 0.016 0.000 0.228 212 Q C -1.282 174.536 176.000 -0.304 0.000 0.805 212 Q CA -0.630 55.013 55.803 -0.267 0.000 0.894 212 Q CB 0.996 29.686 28.738 -0.079 0.000 1.469 212 Q HN 0.095 nan 8.270 nan 0.000 0.445 213 R N 2.395 122.779 120.500 -0.195 0.000 2.539 213 R HA 0.173 4.523 4.340 0.016 0.000 0.275 213 R C 1.181 177.384 176.300 -0.161 0.000 1.077 213 R CA -0.086 55.907 56.100 -0.179 0.000 1.097 213 R CB 0.191 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 4.226 125.426 121.300 -0.167 0.000 2.388 214 W HA -0.134 4.534 4.660 0.013 0.000 0.294 214 W C 1.108 177.481 176.519 -0.244 0.000 1.212 214 W CA 0.975 58.209 57.345 -0.185 0.000 1.271 214 W CB -0.371 28.910 29.460 -0.297 0.000 1.126 214 W HN 0.593 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 4.221 4.340 0.016 0.000 0.226 215 R C 1.764 177.830 176.300 -0.391 0.000 1.100 215 R CA 2.154 57.428 56.100 -1.377 0.000 0.980 215 R CB -0.519 28.676 30.300 -1.842 0.000 0.875 215 R HN -0.113 nan 8.270 nan 0.000 0.445 216 D N 0.348 120.596 120.400 -0.254 0.000 2.097 216 D HA -0.192 4.457 4.640 0.016 0.000 0.197 216 D C 1.793 178.271 176.300 0.297 0.000 0.984 216 D CA 1.063 55.100 54.000 0.061 0.000 0.826 216 D CB -0.313 40.544 40.800 0.096 0.000 0.973 216 D HN 0.277 nan 8.370 nan 0.000 0.460 217 R N 0.029 120.676 120.500 0.245 0.000 2.083 217 R HA -0.160 4.189 4.340 0.016 0.000 0.237 217 R C 2.233 178.798 176.300 0.443 0.000 1.137 217 R CA 1.048 57.346 56.100 0.331 0.000 0.951 217 R CB -0.395 30.049 30.300 0.240 0.000 0.851 217 R HN 0.064 nan 8.270 nan 0.000 0.434 218 F N 1.198 121.271 119.950 0.204 0.000 2.126 218 F HA -0.199 4.338 4.527 0.016 0.000 0.299 218 F C 2.365 178.229 175.800 0.107 0.000 1.096 218 F CA 0.845 58.973 58.000 0.213 0.000 1.255 218 F CB -0.760 38.491 39.000 0.419 0.000 0.997 218 F HN 0.067 nan 8.300 nan 0.000 0.479 219 L N -1.522 119.896 121.223 0.325 0.000 1.994 219 L HA -0.259 4.090 4.340 0.016 0.000 0.208 219 L C 2.469 179.296 176.870 -0.072 0.000 1.071 219 L CA 1.887 56.766 54.840 0.066 0.000 0.745 219 L CB -0.663 41.345 42.059 -0.085 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 0.077 0.000 2.186 220 F HA -0.156 4.382 4.527 0.017 0.000 0.299 220 F C 2.410 178.210 175.800 -0.000 0.000 1.090 220 F CA 0.874 58.898 58.000 0.040 0.000 1.307 220 F CB -0.676 38.361 39.000 0.062 0.000 1.019 220 F HN -0.174 nan 8.300 nan 0.000 0.489 221 V N -0.205 119.803 119.914 0.157 0.000 2.427 221 V HA -0.285 3.845 4.120 0.016 0.000 0.248 221 V C 2.541 178.570 176.094 -0.108 0.000 1.051 221 V CA 1.676 63.958 62.300 -0.030 0.000 1.048 221 V CB -1.189 30.517 31.823 -0.196 0.000 0.666 221 V HN 0.348 nan 8.190 nan 0.000 0.456 222 A N -0.133 122.607 122.820 -0.132 0.000 1.933 222 A HA -0.306 4.024 4.320 0.016 0.000 0.218 222 A C 2.020 179.320 177.584 -0.474 0.000 1.175 222 A CA 2.221 54.072 52.037 -0.310 0.000 0.628 222 A CB -0.667 18.186 19.000 -0.246 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 -0.205 0.000 2.117 223 D HA -0.017 4.633 4.640 0.016 0.000 0.197 223 D C 2.067 178.325 176.300 -0.070 0.000 0.987 223 D CA 1.459 55.400 54.000 -0.099 0.000 0.829 223 D CB -0.147 40.640 40.800 -0.022 0.000 0.961 223 D HN 0.358 nan 8.370 nan 0.000 0.460 224 A N -0.024 122.778 122.820 -0.030 0.000 1.933 224 A HA -0.110 4.220 4.320 0.016 0.000 0.218 224 A C 2.305 179.933 177.584 0.072 0.000 1.175 224 A CA 0.950 53.019 52.037 0.055 0.000 0.628 224 A CB -0.703 18.360 19.000 0.106 0.000 0.814 224 A HN 0.358 nan 8.150 nan 0.000 0.444 225 I N -1.237 119.309 120.570 -0.041 0.000 2.252 225 I HA -0.258 3.922 4.170 0.016 0.000 0.245 225 I C 2.366 178.519 176.117 0.059 0.000 1.102 225 I CA 1.498 62.790 61.300 -0.013 0.000 1.385 225 I CB -0.495 37.456 38.000 -0.082 0.000 1.064 225 I HN 0.479 nan 8.210 nan 0.000 0.414 226 H N 0.133 119.227 119.070 0.040 0.000 2.357 226 H HA -0.174 4.391 4.556 0.015 0.000 0.301 226 H C 2.277 177.622 175.328 0.029 0.000 1.082 226 H CA 1.165 57.227 56.048 0.024 0.000 1.342 226 H CB 0.085 29.848 29.762 0.002 0.000 1.389 226 H HN 0.187 nan 8.280 nan 0.000 0.511 227 K N 0.930 121.412 120.400 0.137 0.000 2.057 227 K HA -0.137 4.192 4.320 0.016 0.000 0.206 227 K C 2.454 179.162 176.600 0.180 0.000 1.050 227 K CA 1.529 57.858 56.287 0.069 0.000 0.935 227 K CB 0.074 32.484 32.500 -0.149 0.000 0.715 227 K HN 0.293 nan 8.250 nan 0.000 0.439 228 S N 0.180 116.041 115.700 0.268 0.000 2.406 228 S HA -0.194 4.285 4.470 0.016 0.000 0.228 228 S C 2.079 176.756 174.600 0.128 0.000 1.020 228 S CA 1.003 59.355 58.200 0.253 0.000 0.965 228 S CB -0.231 63.092 63.200 0.204 0.000 0.798 228 S HN 0.436 nan 8.310 nan 0.000 0.488 229 Q N 1.338 121.206 119.800 0.112 0.000 2.119 229 Q HA 0.051 4.401 4.340 0.016 0.000 0.201 229 Q C 2.219 178.258 176.000 0.065 0.000 0.972 229 Q CA 1.211 57.059 55.803 0.075 0.000 0.847 229 Q CB -0.537 28.253 28.738 0.087 0.000 0.903 229 Q HN 0.705 nan 8.270 nan 0.000 0.433 230 A N 0.644 123.511 122.820 0.078 0.000 1.930 230 A HA -0.187 4.143 4.320 0.016 0.000 0.217 230 A C 1.731 179.347 177.584 0.054 0.000 1.175 230 A CA 1.518 53.588 52.037 0.055 0.000 0.627 230 A CB -0.369 18.662 19.000 0.051 0.000 0.815 230 A HN 0.506 nan 8.150 nan 0.000 0.443 231 E N -0.897 119.350 120.200 0.077 0.000 2.158 231 E HA -0.096 4.264 4.350 0.016 0.000 0.191 231 E C 2.060 178.688 176.600 0.046 0.000 0.982 231 E CA 1.479 57.923 56.400 0.073 0.000 0.823 231 E CB -0.069 29.701 29.700 0.118 0.000 0.766 231 E HN 0.832 nan 8.360 nan 0.000 0.468 232 T N -3.695 110.883 114.554 0.039 0.000 3.015 232 T HA 0.218 4.578 4.350 0.016 0.000 0.250 232 T C 1.603 176.308 174.700 0.010 0.000 1.057 232 T CA 0.413 62.523 62.100 0.017 0.000 1.066 232 T CB 0.622 69.492 68.868 0.003 0.000 0.959 232 T HN 0.213 nan 8.240 nan 0.000 0.488 233 G N 1.384 110.192 108.800 0.014 0.000 2.160 233 G HA2 -0.213 3.756 3.960 0.016 0.000 0.251 233 G HA3 -0.213 3.756 3.960 0.016 0.000 0.251 233 G C -0.323 174.577 174.900 -0.001 0.000 1.008 233 G CA 0.279 45.384 45.100 0.008 0.000 0.724 233 G HN 0.685 nan 8.290 nan 0.000 0.514 234 E N -0.528 119.667 120.200 -0.008 0.000 2.288 234 E HA 0.512 4.872 4.350 0.016 0.000 0.268 234 E C 0.308 176.889 176.600 -0.031 0.000 0.885 234 E CA -1.294 55.089 56.400 -0.028 0.000 0.767 234 E CB 1.507 31.179 29.700 -0.047 0.000 1.220 234 E HN 0.050 nan 8.360 nan 0.000 0.427 235 I N 2.892 123.434 120.570 -0.046 0.000 2.668 235 I HA -0.011 4.168 4.170 0.016 0.000 0.285 235 I C 0.265 176.338 176.117 -0.074 0.000 1.168 235 I CA 0.498 61.775 61.300 -0.039 0.000 1.424 235 I CB -0.423 37.551 38.000 -0.045 0.000 1.377 235 I HN 0.302 nan 8.210 nan 0.000 0.560 236 K N 4.686 125.074 120.400 -0.020 0.000 2.267 236 K HA 0.795 5.124 4.320 0.016 0.000 0.246 236 K C -0.016 176.632 176.600 0.080 0.000 0.954 236 K CA -0.659 55.616 56.287 -0.020 0.000 0.824 236 K CB 2.476 34.988 32.500 0.020 0.000 1.167 236 K HN 0.804 nan 8.250 nan 0.000 0.431 237 G N 0.353 109.260 108.800 0.179 0.000 2.690 237 G HA2 0.404 4.373 3.960 0.016 0.000 0.291 237 G HA3 0.404 4.373 3.960 0.016 0.000 0.291 237 G C -1.849 173.258 174.900 0.345 0.000 1.403 237 G CA -0.264 45.052 45.100 0.361 0.000 0.864 237 G HN 0.555 nan 8.290 nan 0.000 0.480 238 H N 0.574 119.720 119.070 0.127 0.000 2.934 238 H HA 0.306 4.871 4.556 0.016 0.000 0.340 238 H C -1.158 174.191 175.328 0.036 0.000 1.008 238 H CA -0.580 55.462 56.048 -0.011 0.000 1.317 238 H CB 1.337 31.093 29.762 -0.010 0.000 1.670 238 H HN 0.371 nan 8.280 nan 0.000 0.516 239 Y N 5.643 125.714 120.300 -0.381 0.000 2.680 239 Y HA 0.113 4.672 4.550 0.016 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 -0.576 37.684 38.460 -0.333 0.000 1.245 239 Y HN 0.338 nan 8.280 nan 0.000 0.513 240 L N 3.825 125.104 121.223 0.095 0.000 2.361 240 L HA 0.149 4.499 4.340 0.016 0.000 0.278 240 L C 0.719 177.640 176.870 0.084 0.000 1.113 240 L CA 0.054 54.882 54.840 -0.021 0.000 0.849 240 L CB 0.306 42.003 42.059 -0.602 0.000 1.155 240 L HN 0.618 nan 8.230 nan 0.000 0.452 241 N N 2.134 120.958 118.700 0.206 0.000 2.416 241 N HA 0.102 4.851 4.740 0.016 0.000 0.265 241 N C 0.810 176.483 175.510 0.271 0.000 1.195 241 N CA -0.412 52.770 53.050 0.220 0.000 0.943 241 N CB 0.937 39.537 38.487 0.188 0.000 1.115 241 N HN 0.527 nan 8.380 nan 0.000 0.481 242 V N 0.464 120.498 119.914 0.200 0.000 3.621 242 V HA 0.150 4.280 4.120 0.016 0.000 0.285 242 V C 0.631 176.756 176.094 0.052 0.000 1.346 242 V CA -0.206 62.153 62.300 0.098 0.000 1.104 242 V CB -0.241 31.586 31.823 0.006 0.000 0.913 242 V HN 0.419 nan 8.190 nan 0.000 0.432 243 T N 3.256 117.900 114.554 0.150 0.000 2.866 243 T HA 0.503 4.862 4.350 0.016 0.000 0.293 243 T C 0.193 174.891 174.700 -0.004 0.000 1.005 243 T CA 1.174 63.343 62.100 0.113 0.000 1.162 243 T CB 0.365 69.237 68.868 0.006 0.000 0.968 243 T HN 1.034 nan 8.240 nan 0.000 0.530 244 A N 5.280 128.089 122.820 -0.019 0.000 2.569 244 A HA 0.788 5.118 4.320 0.016 0.000 0.290 244 A C -1.678 175.870 177.584 -0.060 0.000 1.136 244 A CA -1.349 50.636 52.037 -0.087 0.000 0.710 244 A CB 0.814 19.716 19.000 -0.163 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 0.573 177.847 177.300 -0.043 0.000 1.150 245 P CA 1.883 64.953 63.100 -0.050 0.000 0.814 245 P CB -0.050 31.621 31.700 -0.048 0.000 0.787 246 T N -4.786 109.734 114.554 -0.057 0.000 2.883 246 T HA 0.316 4.676 4.350 0.016 0.000 0.296 246 T C 1.029 175.691 174.700 -0.063 0.000 1.117 246 T CA -0.656 61.414 62.100 -0.049 0.000 1.006 246 T CB 1.046 69.884 68.868 -0.050 0.000 1.191 246 T HN -0.098 nan 8.240 nan 0.000 0.508 247 C N 0.599 119.868 119.300 -0.051 0.000 2.413 247 C HA -0.037 4.433 4.460 0.016 0.000 0.277 247 C C 2.640 177.568 174.990 -0.103 0.000 1.265 247 C CA 1.010 59.988 59.018 -0.068 0.000 1.752 247 C CB -1.368 26.346 27.740 -0.043 0.000 1.998 247 C HN 1.012 nan 8.230 nan 0.000 0.489 248 E N 0.811 120.958 120.200 -0.088 0.000 2.051 248 E HA -0.143 4.216 4.350 0.016 0.000 0.192 248 E C 2.268 178.783 176.600 -0.141 0.000 0.991 248 E CA 0.960 57.302 56.400 -0.096 0.000 0.799 248 E CB -0.285 29.375 29.700 -0.066 0.000 0.748 248 E HN 0.515 nan 8.360 nan 0.000 0.449 249 E N 0.167 120.275 120.200 -0.153 0.000 2.072 249 E HA -0.162 4.198 4.350 0.016 0.000 0.191 249 E C 2.022 178.430 176.600 -0.320 0.000 0.985 249 E CA 0.753 57.015 56.400 -0.230 0.000 0.801 249 E CB -0.276 29.300 29.700 -0.206 0.000 0.750 249 E HN 0.315 nan 8.360 nan 0.000 0.452 250 M N -0.227 119.223 119.600 -0.250 0.000 2.082 250 M HA -0.217 4.273 4.480 0.016 0.000 0.258 250 M C 1.971 178.058 176.300 -0.355 0.000 1.069 250 M CA 1.510 56.648 55.300 -0.270 0.000 1.102 250 M CB -0.012 32.471 32.600 -0.196 0.000 1.336 250 M HN 0.037 nan 8.290 nan 0.000 0.404 251 M N -0.121 119.279 119.600 -0.334 0.000 2.200 251 M HA -0.165 4.325 4.480 0.016 0.000 0.265 251 M C 2.100 178.182 176.300 -0.363 0.000 1.066 251 M CA 1.465 56.514 55.300 -0.418 0.000 1.127 251 M CB -1.183 31.237 32.600 -0.300 0.000 1.379 251 M HN 0.368 nan 8.290 nan 0.000 0.420 252 K N 0.452 120.684 120.400 -0.281 0.000 2.097 252 K HA -0.157 4.173 4.320 0.016 0.000 0.206 252 K C 2.041 178.477 176.600 -0.273 0.000 1.049 252 K CA 1.312 57.476 56.287 -0.205 0.000 0.933 252 K CB 0.116 32.507 32.500 -0.181 0.000 0.717 252 K HN 0.269 nan 8.250 nan 0.000 0.442 253 R N -0.236 119.929 120.500 -0.557 0.000 2.075 253 R HA 0.001 4.351 4.340 0.016 0.000 0.226 253 R C 2.408 178.672 176.300 -0.060 0.000 1.114 253 R CA 0.984 56.681 56.100 -0.672 0.000 0.972 253 R CB -0.267 29.479 30.300 -0.924 0.000 0.869 253 R HN 0.185 nan 8.270 nan 0.000 0.437 254 A N 1.158 123.828 122.820 -0.250 0.000 1.940 254 A HA -0.227 4.103 4.320 0.016 0.000 0.219 254 A C 1.973 179.449 177.584 -0.181 0.000 1.176 254 A CA 1.619 53.434 52.037 -0.370 0.000 0.631 254 A CB -0.319 18.035 19.000 -1.076 0.000 0.814 254 A HN 0.213 nan 8.150 nan 0.000 0.446 255 E N -1.211 118.913 120.200 -0.126 0.000 2.077 255 E HA -0.133 4.227 4.350 0.016 0.000 0.193 255 E C 1.598 178.417 176.600 0.366 0.000 0.989 255 E CA 1.189 57.708 56.400 0.198 0.000 0.800 255 E CB -0.334 29.450 29.700 0.139 0.000 0.746 255 E HN 0.576 nan 8.360 nan 0.000 0.452 256 F N 0.463 120.559 119.950 0.243 0.000 2.186 256 F HA 0.018 4.553 4.527 0.014 0.000 0.299 256 F C 1.953 177.992 175.800 0.399 0.000 1.090 256 F CA 1.193 59.393 58.000 0.334 0.000 1.307 256 F CB -0.709 38.558 39.000 0.445 0.000 1.019 256 F HN 0.067 nan 8.300 nan 0.000 0.489 257 A N 0.227 123.293 122.820 0.411 0.000 1.908 257 A HA -0.248 4.081 4.320 0.016 0.000 0.218 257 A C 2.401 180.064 177.584 0.131 0.000 1.181 257 A CA 1.900 54.056 52.037 0.199 0.000 0.627 257 A CB -0.836 18.290 19.000 0.209 0.000 0.818 257 A HN 0.406 nan 8.150 nan 0.000 0.445 258 K N -0.428 120.131 120.400 0.264 0.000 2.057 258 K HA -0.181 4.149 4.320 0.016 0.000 0.206 258 K C 2.070 178.748 176.600 0.130 0.000 1.050 258 K CA 1.572 58.001 56.287 0.235 0.000 0.935 258 K CB -0.176 32.550 32.500 0.376 0.000 0.715 258 K HN 0.649 nan 8.250 nan 0.000 0.439 259 E N 0.559 120.837 120.200 0.130 0.000 2.118 259 E HA -0.170 4.190 4.350 0.016 0.000 0.195 259 E C 1.782 178.370 176.600 -0.019 0.000 0.992 259 E CA 0.861 57.312 56.400 0.085 0.000 0.804 259 E CB 0.036 29.843 29.700 0.178 0.000 0.741 259 E HN 0.321 nan 8.360 nan 0.000 0.458 260 L N -0.531 120.604 121.223 -0.145 0.000 2.554 260 L HA 0.109 4.459 4.340 0.016 0.000 0.226 260 L C 1.313 178.180 176.870 -0.004 0.000 1.137 260 L CA 0.424 55.177 54.840 -0.145 0.000 0.863 260 L CB 0.038 41.915 42.059 -0.302 0.000 0.985 260 L HN 0.376 nan 8.230 nan 0.000 0.451 261 G N 0.110 108.923 108.800 0.022 0.000 2.176 261 G HA2 -0.258 3.712 3.960 0.016 0.000 0.252 261 G HA3 -0.258 3.712 3.960 0.016 0.000 0.252 261 G C 0.253 175.190 174.900 0.060 0.000 1.024 261 G CA -0.206 44.926 45.100 0.053 0.000 0.755 261 G HN 0.102 nan 8.290 nan 0.000 0.507 262 M N 0.383 120.006 119.600 0.038 0.000 2.200 262 M HA 0.208 4.698 4.480 0.016 0.000 0.355 262 M C -0.501 175.833 176.300 0.057 0.000 1.283 262 M CA -2.031 53.291 55.300 0.035 0.000 1.124 262 M CB 0.747 33.342 32.600 -0.010 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 0.060 177.384 177.300 0.040 0.000 1.168 263 P CA 0.795 63.927 63.100 0.054 0.000 0.779 263 P CB 0.974 32.725 31.700 0.084 0.000 0.844 264 I N -0.164 120.443 120.570 0.062 0.000 2.722 264 I HA 0.352 4.532 4.170 0.016 0.000 0.292 264 I C -1.265 174.880 176.117 0.047 0.000 1.267 264 I CA -1.461 59.853 61.300 0.023 0.000 1.036 264 I CB 2.251 40.247 38.000 -0.006 0.000 1.281 264 I HN -0.255 nan 8.210 nan 0.000 0.423 265 I N 4.401 124.986 120.570 0.026 0.000 3.206 265 I HA 0.689 4.869 4.170 0.016 0.000 0.313 265 I C -0.953 175.187 176.117 0.038 0.000 1.103 265 I CA -0.990 60.342 61.300 0.053 0.000 0.985 265 I CB 2.203 40.254 38.000 0.085 0.000 1.240 265 I HN 0.710 nan 8.210 nan 0.000 0.464 266 M N 1.626 121.292 119.600 0.110 0.000 2.690 266 M HA 0.652 5.142 4.480 0.016 0.000 0.302 266 M C -1.616 174.814 176.300 0.216 0.000 1.234 266 M CA -0.514 54.883 55.300 0.162 0.000 0.853 266 M CB 2.343 35.111 32.600 0.281 0.000 1.748 266 M HN 0.782 nan 8.290 nan 0.000 0.469 267 H N -0.128 118.981 119.070 0.066 0.000 3.026 267 H HA 0.424 4.990 4.556 0.018 0.000 0.352 267 H C -1.994 173.383 175.328 0.081 0.000 1.090 267 H CA -0.529 55.547 56.048 0.047 0.000 1.268 267 H CB 1.684 31.458 29.762 0.020 0.000 1.816 267 H HN 0.769 nan 8.280 nan 0.000 0.518 268 D N 6.065 126.265 120.400 -0.334 0.000 2.453 268 D HA 0.022 4.672 4.640 0.016 0.000 0.223 268 D C 1.129 177.195 176.300 -0.389 0.000 1.183 268 D CA -0.213 53.653 54.000 -0.223 0.000 0.933 268 D CB -0.267 40.418 40.800 -0.192 0.000 1.038 268 D HN 0.521 nan 8.370 nan 0.000 0.513 269 F N 0.885 120.597 119.950 -0.396 0.000 2.293 269 F HA -0.043 4.494 4.527 0.015 0.000 0.300 269 F C 1.242 176.767 175.800 -0.458 0.000 1.086 269 F CA 0.728 58.484 58.000 -0.407 0.000 1.375 269 F CB -0.428 38.379 39.000 -0.323 0.000 1.045 269 F HN 0.171 nan 8.300 nan 0.000 0.516 270 L N 0.517 121.135 121.223 -1.009 0.000 2.202 270 L HA -0.041 4.309 4.340 0.016 0.000 0.205 270 L C 2.656 179.265 176.870 -0.433 0.000 1.083 270 L CA 1.416 55.730 54.840 -0.876 0.000 0.790 270 L CB -0.891 40.648 42.059 -0.868 0.000 0.942 270 L HN 0.366 nan 8.230 nan 0.000 0.452 271 T N -3.063 111.295 114.554 -0.328 0.000 3.014 271 T HA 0.073 4.433 4.350 0.016 0.000 0.263 271 T C 1.792 176.385 174.700 -0.179 0.000 1.078 271 T CA 0.720 62.695 62.100 -0.207 0.000 1.135 271 T CB 0.031 68.805 68.868 -0.157 0.000 0.895 271 T HN 0.240 nan 8.240 nan 0.000 0.480 272 A N 1.563 124.246 122.820 -0.229 0.000 1.903 272 A HA 0.621 4.951 4.320 0.016 0.000 0.213 272 A C 1.486 179.022 177.584 -0.080 0.000 1.185 272 A CA 0.721 52.674 52.037 -0.140 0.000 0.628 272 A CB -0.801 18.085 19.000 -0.190 0.000 0.830 272 A HN 1.434 nan 8.150 nan 0.000 0.446 273 G N -3.157 105.555 108.800 -0.147 0.000 2.539 273 G HA2 0.047 4.017 3.960 0.016 0.000 0.686 273 G HA3 0.047 4.017 3.960 0.016 0.000 0.686 273 G C -0.061 174.830 174.900 -0.015 0.000 1.258 273 G CA -0.226 44.815 45.100 -0.099 0.000 0.846 273 G HN 0.217 nan 8.290 nan 0.000 0.647 274 F N 0.481 120.488 119.950 0.095 0.000 2.234 274 F HA 0.042 4.578 4.527 0.015 0.000 0.299 274 F C 3.050 178.923 175.800 0.122 0.000 1.087 274 F CA 2.211 60.297 58.000 0.143 0.000 1.340 274 F CB -0.226 38.850 39.000 0.127 0.000 1.031 274 F HN 0.536 nan 8.300 nan 0.000 0.500 275 T N -0.438 114.274 114.554 0.264 0.000 2.777 275 T HA -0.137 4.223 4.350 0.016 0.000 0.266 275 T C 2.314 177.093 174.700 0.131 0.000 1.040 275 T CA 1.301 63.504 62.100 0.171 0.000 1.141 275 T CB -0.555 68.383 68.868 0.118 0.000 0.868 275 T HN 0.262 nan 8.240 nan 0.000 0.444 276 A N 1.958 124.852 122.820 0.124 0.000 1.898 276 A HA -0.109 4.221 4.320 0.016 0.000 0.216 276 A C 2.257 179.894 177.584 0.088 0.000 1.181 276 A CA 1.454 53.547 52.037 0.093 0.000 0.620 276 A CB -0.760 18.314 19.000 0.123 0.000 0.819 276 A HN 0.521 nan 8.150 nan 0.000 0.442 277 N N -0.401 118.423 118.700 0.207 0.000 2.120 277 N HA -0.148 4.602 4.740 0.016 0.000 0.188 277 N C 1.587 177.174 175.510 0.128 0.000 1.024 277 N CA 2.052 55.222 53.050 0.200 0.000 0.852 277 N CB -0.160 38.503 38.487 0.294 0.000 1.003 277 N HN 0.421 nan 8.380 nan 0.000 0.424 278 T N -0.167 114.491 114.554 0.174 0.000 2.788 278 T HA -0.073 4.287 4.350 0.016 0.000 0.268 278 T C 1.823 176.579 174.700 0.094 0.000 1.044 278 T CA 1.456 63.645 62.100 0.148 0.000 1.139 278 T CB -0.512 68.461 68.868 0.174 0.000 0.867 278 T HN 0.308 nan 8.240 nan 0.000 0.454 279 T N 2.192 116.789 114.554 0.071 0.000 2.684 279 T HA -0.058 4.302 4.350 0.016 0.000 0.267 279 T C 1.856 176.592 174.700 0.059 0.000 1.036 279 T CA 0.925 63.056 62.100 0.052 0.000 1.148 279 T CB -0.423 68.456 68.868 0.018 0.000 0.863 279 T HN 0.114 nan 8.240 nan 0.000 0.436 280 L N 1.141 122.359 121.223 -0.008 0.000 2.056 280 L HA 0.162 4.512 4.340 0.016 0.000 0.207 280 L C 2.582 179.518 176.870 0.109 0.000 1.078 280 L CA 1.739 56.568 54.840 -0.018 0.000 0.749 280 L CB -0.988 40.914 42.059 -0.261 0.000 0.901 280 L HN 0.215 nan 8.230 nan 0.000 0.433 281 A N -0.641 122.219 122.820 0.065 0.000 1.933 281 A HA -0.177 4.152 4.320 0.016 0.000 0.218 281 A C 2.211 179.830 177.584 0.057 0.000 1.175 281 A CA 1.602 53.673 52.037 0.056 0.000 0.628 281 A CB -0.436 18.587 19.000 0.038 0.000 0.814 281 A HN 0.412 nan 8.150 nan 0.000 0.444 282 K N -1.480 118.968 120.400 0.080 0.000 2.062 282 K HA -0.176 4.154 4.320 0.016 0.000 0.205 282 K C 1.781 178.427 176.600 0.077 0.000 1.051 282 K CA 1.315 57.638 56.287 0.059 0.000 0.941 282 K CB -0.558 31.982 32.500 0.066 0.000 0.719 282 K HN 0.755 nan 8.250 nan 0.000 0.440 283 W N 1.823 123.108 121.300 -0.025 0.000 2.358 283 W HA -0.254 4.410 4.660 0.007 0.000 0.303 283 W C 2.103 178.620 176.519 -0.003 0.000 1.208 283 W CA 1.336 58.673 57.345 -0.014 0.000 1.274 283 W CB -0.400 29.048 29.460 -0.020 0.000 1.138 283 W HN 0.022 nan 8.180 nan 0.000 0.515 284 C N 0.108 119.509 119.300 0.168 0.000 2.413 284 C HA -0.168 4.302 4.460 0.016 0.000 0.277 284 C C 2.717 177.637 174.990 -0.115 0.000 1.265 284 C CA 1.494 60.530 59.018 0.029 0.000 1.752 284 C CB -1.532 26.310 27.740 0.169 0.000 1.998 284 C HN 0.437 nan 8.230 nan 0.000 0.489 285 R N 1.340 121.749 120.500 -0.151 0.000 2.081 285 R HA -0.093 4.257 4.340 0.016 0.000 0.235 285 R C 1.547 177.740 176.300 -0.179 0.000 1.131 285 R CA 1.816 57.786 56.100 -0.216 0.000 0.960 285 R CB -0.552 29.640 30.300 -0.180 0.000 0.856 285 R HN 0.427 nan 8.270 nan 0.000 0.436 286 D N -0.470 119.796 120.400 -0.222 0.000 2.317 286 D HA -0.027 4.623 4.640 0.016 0.000 0.211 286 D C 0.446 176.557 176.300 -0.315 0.000 0.966 286 D CA 0.761 54.623 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 0.311 nan 8.370 nan 0.000 0.519 287 N N -0.706 117.706 118.700 -0.480 0.000 2.159 287 N HA 0.096 4.845 4.740 0.016 0.000 0.217 287 N C 0.837 176.167 175.510 -0.300 0.000 1.223 287 N CA 0.351 53.078 53.050 -0.537 0.000 0.896 287 N CB 1.828 39.601 38.487 -1.190 0.000 1.064 287 N HN 0.048 nan 8.380 nan 0.000 0.518 288 G N 1.311 110.033 108.800 -0.130 0.000 2.221 288 G HA2 -0.246 3.724 3.960 0.016 0.000 0.265 288 G HA3 -0.246 3.724 3.960 0.016 0.000 0.265 288 G C -0.171 174.704 174.900 -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 0.910 120.829 119.914 0.008 0.000 2.435 289 V HA 0.579 4.709 4.120 0.016 0.000 0.290 289 V C 1.012 177.166 176.094 0.099 0.000 1.030 289 V CA -0.901 61.421 62.300 0.037 0.000 0.881 289 V CB 1.729 33.641 31.823 0.148 0.000 0.983 289 V HN 0.340 nan 8.190 nan 0.000 0.445 290 L N 4.557 125.752 121.223 -0.047 0.000 2.436 290 L HA 0.380 4.729 4.340 0.016 0.000 0.265 290 L C -0.395 176.439 176.870 -0.060 0.000 1.168 290 L CA -0.250 54.553 54.840 -0.061 0.000 0.815 290 L CB 0.763 42.715 42.059 -0.179 0.000 1.109 290 L HN 0.437 nan 8.230 nan 0.000 0.462 291 L N 2.472 123.633 121.223 -0.103 0.000 2.342 291 L HA 0.346 4.695 4.340 0.016 0.000 0.276 291 L C -0.615 176.082 176.870 -0.288 0.000 0.997 291 L CA -0.251 54.516 54.840 -0.122 0.000 0.838 291 L CB 0.985 43.027 42.059 -0.029 0.000 1.224 291 L HN 0.475 nan 8.230 nan 0.000 0.416 292 H N 5.438 124.226 119.070 -0.471 0.000 2.527 292 H HA 0.565 5.130 4.556 0.016 0.000 0.321 292 H C -0.873 174.335 175.328 -0.199 0.000 1.087 292 H CA -0.481 55.240 56.048 -0.545 0.000 1.337 292 H CB 0.779 29.933 29.762 -1.012 0.000 1.440 292 H HN 0.501 nan 8.280 nan 0.000 0.490 293 I N 5.865 126.064 120.570 -0.618 0.000 2.339 293 I HA 0.107 4.286 4.170 0.016 0.000 0.290 293 I C 0.131 176.034 176.117 -0.356 0.000 0.994 293 I CA -0.422 60.665 61.300 -0.354 0.000 1.191 293 I CB 0.830 38.616 38.000 -0.358 0.000 1.343 293 I HN 0.723 nan 8.210 nan 0.000 0.458 294 H N 7.292 126.240 119.070 -0.203 0.000 2.502 294 H HA 0.289 4.855 4.556 0.016 0.000 0.327 294 H C 0.222 175.526 175.328 -0.041 0.000 1.099 294 H CA -0.400 55.496 56.048 -0.252 0.000 1.323 294 H CB 1.261 30.931 29.762 -0.153 0.000 1.450 294 H HN 0.504 nan 8.280 nan 0.000 0.502 295 R N 2.953 123.266 120.500 -0.312 0.000 2.555 295 R HA 0.374 4.724 4.340 0.016 0.000 0.272 295 R C 0.515 176.842 176.300 0.045 0.000 1.089 295 R CA -0.248 55.875 56.100 0.038 0.000 1.126 295 R CB -0.095 30.148 30.300 -0.096 0.000 1.250 295 R HN 0.376 nan 8.270 nan 0.000 0.551 296 A N 1.460 124.399 122.820 0.199 0.000 2.580 296 A HA 0.101 4.430 4.320 0.016 0.000 0.244 296 A C 0.931 178.526 177.584 0.018 0.000 1.045 296 A CA 0.937 53.087 52.037 0.188 0.000 0.761 296 A CB -0.279 18.812 19.000 0.152 0.000 0.962 296 A HN 0.842 nan 8.150 nan 0.000 0.512 297 M N 0.568 120.179 119.600 0.018 0.000 3.035 297 M HA -0.280 4.210 4.480 0.016 0.000 0.218 297 M C 0.976 177.227 176.300 -0.082 0.000 0.567 297 M CA 1.791 57.054 55.300 -0.062 0.000 0.833 297 M CB -2.040 30.498 32.600 -0.105 0.000 2.966 297 M HN 1.254 nan 8.290 nan 0.000 0.300 298 H N -0.759 118.258 119.070 -0.089 0.000 2.422 298 H HA 0.263 4.828 4.556 0.016 0.000 0.298 298 H C 1.697 177.012 175.328 -0.022 0.000 1.098 298 H CA 1.891 57.916 56.048 -0.038 0.000 1.315 298 H CB -0.423 29.373 29.762 0.057 0.000 1.382 298 H HN 0.491 nan 8.280 nan 0.000 0.523 299 A N 1.120 123.422 122.820 -0.864 0.000 2.119 299 A HA 0.026 4.356 4.320 0.016 0.000 0.217 299 A C 2.436 179.877 177.584 -0.240 0.000 1.153 299 A CA 0.914 52.594 52.037 -0.594 0.000 0.692 299 A CB -0.632 18.031 19.000 -0.561 0.000 0.799 299 A HN 0.352 nan 8.150 nan 0.000 0.458 300 V N -0.182 119.626 119.914 -0.177 0.000 2.594 300 V HA -0.244 3.886 4.120 0.016 0.000 0.253 300 V C 2.163 178.225 176.094 -0.052 0.000 1.069 300 V CA 2.096 64.343 62.300 -0.089 0.000 1.082 300 V CB -0.529 31.250 31.823 -0.074 0.000 0.680 300 V HN 0.618 nan 8.190 nan 0.000 0.469 301 I N 0.342 120.876 120.570 -0.061 0.000 3.172 301 I HA 0.014 4.193 4.170 0.016 0.000 0.278 301 I C 1.669 177.789 176.117 0.005 0.000 1.174 301 I CA 0.969 62.255 61.300 -0.022 0.000 1.445 301 I CB -0.020 37.965 38.000 -0.026 0.000 1.175 301 I HN 0.443 nan 8.210 nan 0.000 0.447 302 D N -0.240 120.152 120.400 -0.013 0.000 2.433 302 D HA -0.030 4.620 4.640 0.016 0.000 0.211 302 D C 1.785 178.080 176.300 -0.009 0.000 1.114 302 D CA -0.063 53.942 54.000 0.009 0.000 0.837 302 D CB 0.003 40.841 40.800 0.063 0.000 0.984 302 D HN 0.006 nan 8.370 nan 0.000 0.505 303 R N 0.154 120.643 120.500 -0.018 0.000 2.062 303 R HA 0.038 4.388 4.340 0.016 0.000 0.226 303 R C 0.410 176.739 176.300 0.050 0.000 1.125 303 R CA 0.977 57.074 56.100 -0.004 0.000 0.966 303 R CB -0.003 30.277 30.300 -0.033 0.000 0.861 303 R HN 0.019 nan 8.270 nan 0.000 0.433 304 Q N 0.898 120.740 119.800 0.070 0.000 2.261 304 Q HA 0.080 4.429 4.340 0.016 0.000 0.252 304 Q C 0.267 176.347 176.000 0.134 0.000 0.915 304 Q CA -0.014 55.846 55.803 0.096 0.000 0.915 304 Q CB 1.473 30.270 28.738 0.099 0.000 1.204 304 Q HN 0.456 nan 8.270 nan 0.000 0.421 305 R N 0.824 121.407 120.500 0.138 0.000 2.310 305 R HA 0.012 4.362 4.340 0.016 0.000 0.202 305 R C 0.798 177.190 176.300 0.154 0.000 0.933 305 R CA 0.607 56.807 56.100 0.167 0.000 1.054 305 R CB 0.000 30.401 30.300 0.168 0.000 0.985 305 R HN 0.467 nan 8.270 nan 0.000 0.489 306 N N 0.238 119.026 118.700 0.147 0.000 2.405 306 N HA -0.097 4.653 4.740 0.016 0.000 0.175 306 N C -0.397 175.254 175.510 0.234 0.000 1.051 306 N CA 0.464 53.602 53.050 0.148 0.000 0.899 306 N CB 0.086 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 -1.229 117.929 119.070 0.147 0.000 3.026 307 H HA 0.561 5.126 4.556 0.016 0.000 0.352 307 H C -0.007 175.454 175.328 0.222 0.000 1.090 307 H CA 0.404 56.576 56.048 0.207 0.000 1.268 307 H CB 1.457 31.323 29.762 0.173 0.000 1.816 307 H HN 0.359 nan 8.280 nan 0.000 0.518 308 G N 2.565 111.394 108.800 0.049 0.000 2.250 308 G HA2 0.017 3.986 3.960 0.016 0.000 0.252 308 G HA3 0.017 3.986 3.960 0.016 0.000 0.252 308 G C -1.610 173.354 174.900 0.106 0.000 1.325 308 G CA -0.348 44.788 45.100 0.060 0.000 1.091 308 G HN 0.627 nan 8.290 nan 0.000 0.476 309 I N 1.002 121.601 120.570 0.048 0.000 2.498 309 I HA 0.340 4.520 4.170 0.016 0.000 0.290 309 I C 0.184 176.365 176.117 0.105 0.000 1.032 309 I CA -0.904 60.438 61.300 0.071 0.000 1.073 309 I CB 1.989 39.988 38.000 -0.001 0.000 1.251 309 I HN 0.654 nan 8.210 nan 0.000 0.426 310 H N 4.814 123.928 119.070 0.074 0.000 2.790 310 H HA 0.007 4.573 4.556 0.016 0.000 0.358 310 H C 0.435 175.825 175.328 0.103 0.000 1.103 310 H CA 0.573 56.694 56.048 0.121 0.000 1.426 310 H CB 1.077 30.913 29.762 0.124 0.000 1.424 310 H HN 0.648 nan 8.280 nan 0.000 0.599 311 F N 5.177 124.910 119.950 -0.362 0.000 2.202 311 F HA -0.203 4.333 4.527 0.016 0.000 0.301 311 F C 2.653 178.378 175.800 -0.126 0.000 1.082 311 F CA 1.752 59.618 58.000 -0.223 0.000 1.313 311 F CB -0.123 38.632 39.000 -0.408 0.000 1.024 311 F HN 0.662 nan 8.300 nan 0.000 0.495 312 R N -0.161 120.387 120.500 0.080 0.000 2.189 312 R HA -0.087 4.262 4.340 0.016 0.000 0.223 312 R C 1.661 177.947 176.300 -0.023 0.000 1.092 312 R CA 1.716 57.828 56.100 0.020 0.000 0.989 312 R CB -1.055 29.477 30.300 0.388 0.000 0.876 312 R HN 0.315 nan 8.270 nan 0.000 0.457 313 V N 1.743 121.664 119.914 0.011 0.000 2.379 313 V HA -0.155 3.975 4.120 0.016 0.000 0.245 313 V C 2.464 178.540 176.094 -0.030 0.000 1.044 313 V CA 1.341 63.657 62.300 0.026 0.000 1.036 313 V CB -0.339 31.497 31.823 0.022 0.000 0.664 313 V HN 0.265 nan 8.190 nan 0.000 0.453 314 L N 0.237 121.369 121.223 -0.152 0.000 2.093 314 L HA -0.126 4.224 4.340 0.016 0.000 0.208 314 L C 2.739 179.464 176.870 -0.241 0.000 1.085 314 L CA 1.459 56.245 54.840 -0.091 0.000 0.755 314 L CB -0.829 41.184 42.059 -0.075 0.000 0.904 314 L HN 0.359 nan 8.230 nan 0.000 0.435 315 A N 0.301 122.728 122.820 -0.655 0.000 1.877 315 A HA -0.207 4.122 4.320 0.016 0.000 0.216 315 A C 2.355 179.814 177.584 -0.208 0.000 1.186 315 A CA 1.601 53.320 52.037 -0.530 0.000 0.620 315 A CB -0.323 18.315 19.000 -0.603 0.000 0.822 315 A HN 0.294 nan 8.150 nan 0.000 0.443 316 K N -0.774 119.596 120.400 -0.051 0.000 2.026 316 K HA -0.160 4.170 4.320 0.016 0.000 0.208 316 K C 2.097 178.647 176.600 -0.082 0.000 1.048 316 K CA 1.518 57.885 56.287 0.133 0.000 0.929 316 K CB -0.494 32.207 32.500 0.335 0.000 0.713 316 K HN 0.566 nan 8.250 nan 0.000 0.439 317 C N 1.111 120.351 119.300 -0.100 0.000 2.425 317 C HA -0.085 4.385 4.460 0.016 0.000 0.277 317 C C 2.496 177.424 174.990 -0.104 0.000 1.280 317 C CA 0.310 59.201 59.018 -0.212 0.000 1.744 317 C CB -0.770 26.894 27.740 -0.127 0.000 1.989 317 C HN 0.487 nan 8.230 nan 0.000 0.491 318 L N 1.575 122.779 121.223 -0.031 0.000 2.056 318 L HA -0.097 4.253 4.340 0.016 0.000 0.207 318 L C 2.727 179.468 176.870 -0.215 0.000 1.078 318 L CA 1.902 56.645 54.840 -0.162 0.000 0.749 318 L CB -0.994 40.721 42.059 -0.573 0.000 0.901 318 L HN 0.363 nan 8.230 nan 0.000 0.433 319 R N -0.183 120.162 120.500 -0.258 0.000 2.120 319 R HA -0.157 4.193 4.340 0.016 0.000 0.234 319 R C 2.294 178.439 176.300 -0.257 0.000 1.123 319 R CA 1.409 57.320 56.100 -0.314 0.000 0.975 319 R CB -0.260 29.715 30.300 -0.541 0.000 0.866 319 R HN 0.424 nan 8.270 nan 0.000 0.446 320 L N -0.493 120.550 121.223 -0.300 0.000 2.023 320 L HA -0.084 4.266 4.340 0.016 0.000 0.205 320 L C 2.617 179.374 176.870 -0.190 0.000 1.073 320 L CA 1.492 56.054 54.840 -0.462 0.000 0.745 320 L CB -0.649 40.718 42.059 -1.153 0.000 0.900 320 L HN 0.287 nan 8.230 nan 0.000 0.435 321 S N -0.818 114.829 115.700 -0.089 0.000 2.356 321 S HA 0.005 4.485 4.470 0.016 0.000 0.223 321 S C 0.836 175.486 174.600 0.084 0.000 1.032 321 S CA 1.128 59.405 58.200 0.127 0.000 1.005 321 S CB -0.237 63.148 63.200 0.309 0.000 0.867 321 S HN 0.607 nan 8.310 nan 0.000 0.449 322 G N -1.575 107.219 108.800 -0.010 0.000 2.873 322 G HA2 0.427 4.397 3.960 0.016 0.000 0.507 322 G HA3 0.427 4.397 3.960 0.016 0.000 0.507 322 G C -0.386 174.462 174.900 -0.086 0.000 1.440 322 G CA -0.429 44.645 45.100 -0.043 0.000 1.016 322 G HN 0.956 nan 8.290 nan 0.000 0.615 323 G N 0.609 109.334 108.800 -0.125 0.000 2.733 323 G HA2 0.594 4.563 3.960 0.016 0.000 0.297 323 G HA3 0.594 4.563 3.960 0.016 0.000 0.297 323 G C -0.150 174.674 174.900 -0.126 0.000 1.452 323 G CA 0.135 45.147 45.100 -0.147 0.000 0.940 323 G HN 0.328 nan 8.290 nan 0.000 0.547 324 D N -0.233 120.099 120.400 -0.113 0.000 2.216 324 D HA 0.071 4.721 4.640 0.016 0.000 0.208 324 D C 0.451 176.793 176.300 0.070 0.000 0.960 324 D CA 1.074 55.048 54.000 -0.043 0.000 0.861 324 D CB 0.286 41.055 40.800 -0.052 0.000 0.985 324 D HN 0.586 nan 8.370 nan 0.000 0.493 325 H N -0.767 118.194 119.070 -0.182 0.000 2.670 325 H HA 0.565 5.132 4.556 0.017 0.000 0.361 325 H C -0.972 174.179 175.328 -0.295 0.000 1.169 325 H CA -1.087 54.834 56.048 -0.213 0.000 1.198 325 H CB 2.597 32.241 29.762 -0.196 0.000 1.700 325 H HN -0.120 nan 8.280 nan 0.000 0.542 326 L N 1.589 122.750 121.223 -0.102 0.000 2.505 326 L HA 0.199 4.549 4.340 0.016 0.000 0.266 326 L C -0.882 175.964 176.870 -0.041 0.000 0.954 326 L CA -0.369 54.391 54.840 -0.132 0.000 0.852 326 L CB 1.486 43.463 42.059 -0.136 0.000 1.282 326 L HN 0.719 nan 8.230 nan 0.000 0.403 327 H N 2.692 121.629 119.070 -0.223 0.000 3.001 327 H HA 0.159 4.724 4.556 0.016 0.000 0.334 327 H C 0.292 175.507 175.328 -0.190 0.000 1.034 327 H CA 0.852 56.769 56.048 -0.218 0.000 1.420 327 H CB 0.941 30.512 29.762 -0.318 0.000 1.405 327 H HN 0.773 nan 8.280 nan 0.000 0.593 328 S N 1.718 117.383 115.700 -0.059 0.000 2.666 328 S HA 0.305 4.784 4.470 0.016 0.000 0.239 328 S C 0.977 175.645 174.600 0.113 0.000 1.031 328 S CA 0.036 58.314 58.200 0.130 0.000 1.015 328 S CB 1.132 64.499 63.200 0.278 0.000 0.981 328 S HN 1.093 nan 8.310 nan 0.000 0.547 329 G N 1.358 110.125 108.800 -0.055 0.000 2.756 329 G HA2 -0.108 3.862 3.960 0.016 0.000 0.678 329 G HA3 -0.108 3.862 3.960 0.016 0.000 0.678 329 G C 0.303 175.231 174.900 0.047 0.000 1.349 329 G CA 0.196 45.296 45.100 -0.001 0.000 0.847 329 G HN 0.987 nan 8.290 nan 0.000 0.548 330 T N -3.464 111.122 114.554 0.053 0.000 2.955 330 T HA 0.441 4.801 4.350 0.016 0.000 0.251 330 T C 1.854 176.630 174.700 0.127 0.000 1.002 330 T CA 1.378 63.526 62.100 0.080 0.000 0.970 330 T CB 0.437 69.251 68.868 -0.090 0.000 1.091 330 T HN 2.267 nan 8.240 nan 0.000 0.495 331 V N 0.838 120.795 119.914 0.072 0.000 0.449 331 V HA -0.330 3.799 4.120 0.016 0.000 0.092 331 V C 2.073 178.160 176.094 -0.012 0.000 2.531 331 V CA 2.001 64.318 62.300 0.028 0.000 3.708 331 V CB -1.936 29.893 31.823 0.009 0.000 0.981 331 V HN 0.721 nan 8.190 nan 0.000 1.031 332 V N -1.524 118.351 119.914 -0.064 0.000 3.650 332 V HA 0.670 4.800 4.120 0.016 0.000 0.271 332 V C 1.296 177.232 176.094 -0.264 0.000 1.281 332 V CA 1.337 63.555 62.300 -0.136 0.000 1.120 332 V CB 0.047 31.776 31.823 -0.157 0.000 0.856 332 V HN 0.866 nan 8.190 nan 0.000 0.443 333 G N 1.415 110.071 108.800 -0.240 0.000 2.531 333 G HA2 0.266 4.235 3.960 0.016 0.000 0.253 333 G HA3 0.266 4.235 3.960 0.016 0.000 0.253 333 G C 0.748 175.597 174.900 -0.084 0.000 1.439 333 G CA 0.067 45.030 45.100 -0.228 0.000 1.056 333 G HN 0.495 nan 8.290 nan 0.000 0.555 334 K N -1.193 119.177 120.400 -0.049 0.000 2.366 334 K HA 0.182 4.512 4.320 0.016 0.000 0.198 334 K C 0.254 176.855 176.600 0.002 0.000 1.044 334 K CA 0.374 56.659 56.287 -0.004 0.000 0.973 334 K CB -0.208 32.298 32.500 0.011 0.000 0.767 334 K HN 0.210 nan 8.250 nan 0.000 0.475 335 L N 1.546 122.765 121.223 -0.007 0.000 2.330 335 L HA 0.335 4.685 4.340 0.016 0.000 0.271 335 L C -0.160 176.717 176.870 0.012 0.000 1.013 335 L CA -1.108 53.736 54.840 0.007 0.000 0.816 335 L CB 1.841 43.910 42.059 0.017 0.000 1.287 335 L HN 0.082 nan 8.230 nan 0.000 0.435 336 E N 0.579 120.792 120.200 0.022 0.000 2.360 336 E HA 0.468 4.828 4.350 0.016 0.000 0.269 336 E C -0.473 176.162 176.600 0.057 0.000 1.022 336 E CA -0.155 56.266 56.400 0.035 0.000 0.887 336 E CB 0.905 30.626 29.700 0.034 0.000 0.990 336 E HN 0.738 nan 8.360 nan 0.000 0.426 337 G N 3.720 112.560 108.800 0.067 0.000 2.552 337 G HA2 0.112 4.082 3.960 0.016 0.000 0.288 337 G HA3 0.112 4.082 3.960 0.016 0.000 0.288 337 G C -1.550 173.400 174.900 0.084 0.000 1.358 337 G CA -0.846 44.315 45.100 0.102 0.000 1.305 337 G HN 0.610 nan 8.290 nan 0.000 0.602 338 D N 1.566 122.034 120.400 0.113 0.000 2.351 338 D HA 0.217 4.867 4.640 0.016 0.000 0.251 338 D C 1.477 177.791 176.300 0.023 0.000 1.137 338 D CA -0.324 53.725 54.000 0.081 0.000 0.879 338 D CB 1.542 42.419 40.800 0.128 0.000 1.181 338 D HN 0.351 nan 8.370 nan 0.000 0.448 339 K N 3.467 123.859 120.400 -0.013 0.000 2.026 339 K HA -0.141 4.189 4.320 0.016 0.000 0.208 339 K C 1.757 178.291 176.600 -0.110 0.000 1.048 339 K CA 1.585 57.826 56.287 -0.076 0.000 0.929 339 K CB -0.224 32.237 32.500 -0.065 0.000 0.713 339 K HN 0.457 nan 8.250 nan 0.000 0.439 340 A N 0.195 122.975 122.820 -0.065 0.000 1.877 340 A HA -0.153 4.177 4.320 0.016 0.000 0.216 340 A C 2.339 179.875 177.584 -0.080 0.000 1.186 340 A CA 2.127 54.122 52.037 -0.071 0.000 0.620 340 A CB -1.089 17.889 19.000 -0.037 0.000 0.822 340 A HN 0.402 nan 8.150 nan 0.000 0.443 341 S N -0.864 114.822 115.700 -0.023 0.000 2.359 341 S HA -0.145 4.334 4.470 0.016 0.000 0.224 341 S C 2.123 176.569 174.600 -0.257 0.000 1.035 341 S CA 2.001 60.224 58.200 0.037 0.000 1.018 341 S CB -0.487 62.873 63.200 0.266 0.000 0.876 341 S HN 0.711 nan 8.310 nan 0.000 0.448 342 T N 2.618 116.905 114.554 -0.444 0.000 2.746 342 T HA 0.013 4.373 4.350 0.016 0.000 0.267 342 T C 1.732 175.996 174.700 -0.728 0.000 1.039 342 T CA 1.059 62.568 62.100 -0.985 0.000 1.142 342 T CB -0.373 68.240 68.868 -0.425 0.000 0.866 342 T HN 0.276 nan 8.240 nan 0.000 0.444 343 L N 0.624 121.613 121.223 -0.391 0.000 2.131 343 L HA -0.032 4.318 4.340 0.016 0.000 0.210 343 L C 2.942 179.704 176.870 -0.179 0.000 1.092 343 L CA 1.257 55.939 54.840 -0.263 0.000 0.759 343 L CB -0.970 40.968 42.059 -0.202 0.000 0.903 343 L HN 0.353 nan 8.230 nan 0.000 0.435 344 G N 1.021 109.723 108.800 -0.164 0.000 2.433 344 G HA2 -0.305 3.665 3.960 0.016 0.000 0.216 344 G HA3 -0.305 3.665 3.960 0.016 0.000 0.216 344 G C 1.274 176.228 174.900 0.089 0.000 1.186 344 G CA 0.963 46.046 45.100 -0.028 0.000 0.779 344 G HN 0.480 nan 8.290 nan 0.000 0.543 345 F N 0.460 120.499 119.950 0.148 0.000 2.615 345 F HA 0.311 4.848 4.527 0.017 0.000 0.297 345 F C 2.092 177.983 175.800 0.152 0.000 1.124 345 F CA -0.238 57.867 58.000 0.174 0.000 1.451 345 F CB -0.757 38.394 39.000 0.252 0.000 1.103 345 F HN -0.016 nan 8.300 nan 0.000 0.569 346 V N 1.197 121.233 119.914 0.203 0.000 2.358 346 V HA -0.241 3.889 4.120 0.016 0.000 0.246 346 V C 2.072 178.244 176.094 0.130 0.000 1.047 346 V CA 2.272 64.690 62.300 0.198 0.000 1.035 346 V CB -0.640 31.244 31.823 0.102 0.000 0.658 346 V HN 0.227 nan 8.190 nan 0.000 0.452 347 D N 0.014 120.468 120.400 0.091 0.000 2.144 347 D HA -0.102 4.548 4.640 0.016 0.000 0.199 347 D C 2.108 178.482 176.300 0.124 0.000 0.984 347 D CA 1.094 55.145 54.000 0.085 0.000 0.834 347 D CB -0.218 40.621 40.800 0.066 0.000 0.955 347 D HN 0.328 nan 8.370 nan 0.000 0.465 348 L N 0.468 121.805 121.223 0.191 0.000 2.131 348 L HA -0.100 4.250 4.340 0.016 0.000 0.210 348 L C 2.397 179.326 176.870 0.097 0.000 1.092 348 L CA 0.888 55.891 54.840 0.272 0.000 0.759 348 L CB -0.397 41.863 42.059 0.334 0.000 0.903 348 L HN 0.159 nan 8.230 nan 0.000 0.435 349 M N -2.629 116.986 119.600 0.025 0.000 2.502 349 M HA 0.053 4.543 4.480 0.016 0.000 0.243 349 M C 1.907 178.081 176.300 -0.210 0.000 1.130 349 M CA 1.044 56.250 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 0.418 120.851 120.500 -0.111 0.000 2.164 350 R HA 0.267 4.616 4.340 0.016 0.000 0.198 350 R C 0.369 176.615 176.300 -0.090 0.000 1.028 350 R CA 0.203 56.251 56.100 -0.086 0.000 1.083 350 R CB 0.498 30.795 30.300 -0.004 0.000 1.026 350 R HN 0.335 nan 8.270 nan 0.000 0.514 351 E N 0.504 120.683 120.200 -0.035 0.000 2.322 351 E HA 0.001 4.361 4.350 0.016 0.000 0.257 351 E C -0.077 176.578 176.600 0.091 0.000 1.155 351 E CA 0.156 56.582 56.400 0.043 0.000 0.936 351 E CB 1.058 30.818 29.700 0.100 0.000 1.130 351 E HN 0.012 nan 8.360 nan 0.000 0.465 352 D N -1.128 119.381 120.400 0.182 0.000 2.355 352 D HA -0.073 4.577 4.640 0.016 0.000 0.206 352 D C -0.330 176.215 176.300 0.409 0.000 1.010 352 D CA 0.572 54.746 54.000 0.289 0.000 0.875 352 D CB 0.463 41.382 40.800 0.198 0.000 0.966 352 D HN 0.278 nan 8.370 nan 0.000 0.512 353 H N -0.250 118.952 119.070 0.220 0.000 3.017 353 H HA 0.367 4.933 4.556 0.016 0.000 0.340 353 H C -1.682 173.733 175.328 0.145 0.000 1.014 353 H CA -0.635 55.510 56.048 0.161 0.000 1.341 353 H CB 0.548 30.367 29.762 0.097 0.000 1.739 353 H HN -0.135 nan 8.280 nan 0.000 0.506 354 I N 4.795 125.190 120.570 -0.292 0.000 2.439 354 I HA 0.123 4.303 4.170 0.016 0.000 0.285 354 I C 0.184 176.148 176.117 -0.256 0.000 1.021 354 I CA -0.546 60.676 61.300 -0.131 0.000 1.091 354 I CB 1.609 39.641 38.000 0.053 0.000 1.242 354 I HN 0.390 nan 8.210 nan 0.000 0.439 355 E N 3.979 124.094 120.200 -0.142 0.000 2.392 355 E HA 0.332 4.692 4.350 0.016 0.000 0.264 355 E C 0.148 176.726 176.600 -0.036 0.000 1.024 355 E CA -0.213 56.150 56.400 -0.061 0.000 0.903 355 E CB 1.139 30.865 29.700 0.043 0.000 0.963 355 E HN 0.664 nan 8.360 nan 0.000 0.432 356 A N 2.952 125.758 122.820 -0.023 0.000 2.565 356 A HA 0.025 4.355 4.320 0.016 0.000 0.237 356 A C 0.115 177.658 177.584 -0.069 0.000 1.053 356 A CA 0.399 52.413 52.037 -0.038 0.000 0.755 356 A CB 0.112 19.093 19.000 -0.033 0.000 0.980 356 A HN 0.498 nan 8.150 nan 0.000 0.506 357 D N 1.039 121.372 120.400 -0.111 0.000 2.312 357 D HA 0.185 4.835 4.640 0.016 0.000 0.229 357 D C 0.802 176.984 176.300 -0.197 0.000 1.337 357 D CA -0.529 53.397 54.000 -0.124 0.000 0.964 357 D CB 0.477 41.232 40.800 -0.076 0.000 1.456 357 D HN 0.388 nan 8.370 nan 0.000 0.547 358 R N 1.024 121.362 120.500 -0.271 0.000 2.189 358 R HA -0.046 4.303 4.340 0.016 0.000 0.223 358 R C 1.728 177.872 176.300 -0.259 0.000 1.092 358 R CA 1.046 56.902 56.100 -0.406 0.000 0.989 358 R CB -0.387 29.648 30.300 -0.442 0.000 0.876 358 R HN 0.491 nan 8.270 nan 0.000 0.457 359 S N 0.183 115.786 115.700 -0.161 0.000 2.481 359 S HA -0.013 4.467 4.470 0.016 0.000 0.231 359 S C 1.553 176.101 174.600 -0.086 0.000 0.996 359 S CA 0.480 58.618 58.200 -0.104 0.000 0.942 359 S CB 0.052 63.206 63.200 -0.077 0.000 0.768 359 S HN 0.252 nan 8.310 nan 0.000 0.520 360 R N 0.109 120.550 120.500 -0.097 0.000 2.543 360 R HA 0.318 4.667 4.340 0.016 0.000 0.323 360 R C 1.147 177.413 176.300 -0.056 0.000 1.002 360 R CA 0.336 56.395 56.100 -0.068 0.000 1.106 360 R CB 0.504 30.767 30.300 -0.062 0.000 1.280 360 R HN 0.523 nan 8.270 nan 0.000 0.549 361 G N 1.061 109.792 108.800 -0.114 0.000 2.143 361 G HA2 -0.249 3.720 3.960 0.016 0.000 0.249 361 G HA3 -0.249 3.720 3.960 0.016 0.000 0.249 361 G C 0.122 175.003 174.900 -0.032 0.000 0.981 361 G CA 0.093 45.135 45.100 -0.097 0.000 0.665 361 G HN 0.143 nan 8.290 nan 0.000 0.528 362 V N 1.620 121.481 119.914 -0.088 0.000 2.339 362 V HA 0.455 4.585 4.120 0.016 0.000 0.261 362 V C 1.373 177.397 176.094 -0.117 0.000 1.058 362 V CA -0.296 62.003 62.300 -0.002 0.000 0.897 362 V CB 0.280 32.109 31.823 0.011 0.000 1.052 362 V HN 0.216 nan 8.190 nan 0.000 0.480 363 F N 3.397 123.196 119.950 -0.253 0.000 2.293 363 F HA 0.216 4.753 4.527 0.016 0.000 0.297 363 F C 0.738 176.215 175.800 -0.539 0.000 1.089 363 F CA 0.853 58.561 58.000 -0.486 0.000 1.377 363 F CB -0.019 38.509 39.000 -0.787 0.000 1.051 363 F HN 0.311 nan 8.300 nan 0.000 0.511 364 F N -1.199 118.855 119.950 0.174 0.000 2.546 364 F HA 0.383 4.920 4.527 0.016 0.000 0.320 364 F C 0.446 176.248 175.800 0.004 0.000 1.076 364 F CA -1.726 56.324 58.000 0.083 0.000 0.928 364 F CB 0.691 39.730 39.000 0.066 0.000 1.189 364 F HN -0.525 nan 8.300 nan 0.000 0.465 365 T N 1.922 116.573 114.554 0.163 0.000 2.853 365 T HA 0.220 4.580 4.350 0.016 0.000 0.298 365 T C -0.374 174.301 174.700 -0.041 0.000 0.978 365 T CA -0.003 62.099 62.100 0.003 0.000 1.152 365 T CB 0.471 69.330 68.868 -0.015 0.000 0.914 365 T HN 0.419 nan 8.240 nan 0.000 0.539 366 Q N 2.839 122.559 119.800 -0.133 0.000 2.331 366 Q HA 0.330 4.679 4.340 0.016 0.000 0.267 366 Q C -1.220 174.612 176.000 -0.280 0.000 1.006 366 Q CA -0.509 55.167 55.803 -0.212 0.000 0.818 366 Q CB 1.100 29.737 28.738 -0.170 0.000 1.276 366 Q HN 0.525 nan 8.270 nan 0.000 0.450 367 D N 2.689 122.915 120.400 -0.291 0.000 2.252 367 D HA 0.248 4.898 4.640 0.016 0.000 0.245 367 D C -0.357 175.746 176.300 -0.329 0.000 1.009 367 D CA -0.169 53.749 54.000 -0.136 0.000 0.870 367 D CB 0.937 41.749 40.800 0.021 0.000 1.251 367 D HN 0.751 nan 8.370 nan 0.000 0.460 368 W N 0.311 121.640 121.300 0.049 0.000 2.714 368 W HA 0.300 4.969 4.660 0.015 0.000 0.353 368 W C 0.958 177.492 176.519 0.024 0.000 0.999 368 W CA -0.321 57.035 57.345 0.019 0.000 1.629 368 W CB 0.401 29.863 29.460 0.004 0.000 1.106 368 W HN 0.580 nan 8.180 nan 0.000 0.545 369 A N 0.780 123.722 122.820 0.205 0.000 2.704 369 A HA -0.237 4.092 4.320 0.016 0.000 0.299 369 A C 1.244 178.910 177.584 0.137 0.000 1.507 369 A CA 1.268 53.389 52.037 0.139 0.000 0.776 369 A CB -1.874 17.185 19.000 0.099 0.000 1.027 369 A HN 0.701 nan 8.150 nan 0.000 0.475 370 S N -3.381 112.410 115.700 0.152 0.000 3.361 370 S HA -0.257 4.223 4.470 0.016 0.000 0.288 370 S C 0.325 174.979 174.600 0.089 0.000 1.269 370 S CA 1.361 59.624 58.200 0.106 0.000 0.976 370 S CB -1.961 61.284 63.200 0.074 0.000 1.162 370 S HN 1.817 nan 8.310 nan 0.000 0.643 371 M N 2.473 122.149 119.600 0.127 0.000 2.246 371 M HA 0.186 4.676 4.480 0.016 0.000 0.350 371 M C -2.237 174.046 176.300 -0.029 0.000 1.406 371 M CA -1.238 54.103 55.300 0.068 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 -0.162 0.000 1.201 372 P CA -0.012 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 0.644 109.361 108.800 -0.139 0.000 2.562 373 G HA2 0.453 4.423 3.960 0.016 0.000 0.275 373 G HA3 0.453 4.423 3.960 0.016 0.000 0.275 373 G C -0.932 173.883 174.900 -0.142 0.000 1.196 373 G CA -0.424 44.563 45.100 -0.188 0.000 0.908 373 G HN 0.374 nan 8.290 nan 0.000 0.524 374 V N 0.902 120.723 119.914 -0.155 0.000 2.459 374 V HA 0.289 4.419 4.120 0.016 0.000 0.295 374 V C 0.343 176.405 176.094 -0.053 0.000 1.029 374 V CA -0.668 61.569 62.300 -0.104 0.000 0.874 374 V CB 1.640 33.371 31.823 -0.154 0.000 0.985 374 V HN 0.567 nan 8.190 nan 0.000 0.438 375 L N 7.842 129.055 121.223 -0.017 0.000 2.418 375 L HA 0.260 4.610 4.340 0.016 0.000 0.274 375 L C -1.918 174.898 176.870 -0.090 0.000 1.135 375 L CA -1.310 53.495 54.840 -0.058 0.000 0.870 375 L CB 1.238 43.217 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 -0.883 176.261 177.300 -0.260 0.000 1.230 376 P CA -0.158 62.886 63.100 -0.092 0.000 0.776 376 P CB 1.350 33.066 31.700 0.026 0.000 0.888 377 V N 3.156 122.883 119.914 -0.312 0.000 2.350 377 V HA 0.484 4.614 4.120 0.016 0.000 0.285 377 V C 0.462 176.230 176.094 -0.543 0.000 1.014 377 V CA -0.840 61.197 62.300 -0.438 0.000 0.831 377 V CB 1.231 32.777 31.823 -0.461 0.000 1.000 377 V HN 0.676 nan 8.190 nan 0.000 0.433 378 A N 3.880 126.328 122.820 -0.620 0.000 2.269 378 A HA 0.800 5.130 4.320 0.016 0.000 0.302 378 A C 0.092 177.402 177.584 -0.456 0.000 1.266 378 A CA -0.172 51.511 52.037 -0.589 0.000 0.894 378 A CB 0.891 19.425 19.000 -0.776 0.000 1.147 378 A HN 0.824 nan 8.150 nan 0.000 0.537 379 S N 1.609 117.106 115.700 -0.339 0.000 2.533 379 S HA 0.750 5.230 4.470 0.016 0.000 0.271 379 S C -0.517 173.993 174.600 -0.150 0.000 1.143 379 S CA 0.373 58.414 58.200 -0.265 0.000 0.891 379 S CB 1.331 64.423 63.200 -0.180 0.000 1.105 379 S HN 2.563 nan 8.310 nan 0.000 0.468 380 G N 1.720 110.428 108.800 -0.153 0.000 3.152 380 G HA2 0.449 4.419 3.960 0.016 0.000 0.666 380 G HA3 0.449 4.419 3.960 0.016 0.000 0.666 380 G C 0.818 175.656 174.900 -0.103 0.000 1.205 380 G CA 0.297 45.349 45.100 -0.080 0.000 1.178 380 G HN 2.122 nan 8.290 nan 0.000 0.510 381 G N 0.288 109.040 108.800 -0.080 0.000 2.160 381 G HA2 -0.027 3.943 3.960 0.016 0.000 0.251 381 G HA3 -0.027 3.943 3.960 0.016 0.000 0.251 381 G C 0.604 175.466 174.900 -0.064 0.000 1.008 381 G CA 0.980 46.051 45.100 -0.049 0.000 0.724 381 G HN 2.288 nan 8.290 nan 0.000 0.514 382 I N -1.963 118.541 120.570 -0.110 0.000 2.525 382 I HA 0.943 5.123 4.170 0.016 0.000 0.301 382 I C 0.226 176.506 176.117 0.271 0.000 0.992 382 I CA -1.375 59.918 61.300 -0.012 0.000 1.162 382 I CB 1.575 39.452 38.000 -0.206 0.000 1.332 382 I HN 0.303 nan 8.210 nan 0.000 0.458 383 H N 1.789 121.195 119.070 0.560 0.000 3.038 383 H HA 0.500 5.066 4.556 0.016 0.000 0.289 383 H C 0.715 176.175 175.328 0.220 0.000 1.510 383 H CA -0.425 55.775 56.048 0.253 0.000 1.227 383 H CB 0.442 30.191 29.762 -0.020 0.000 1.880 383 H HN 0.326 nan 8.280 nan 0.000 0.594 384 V N -2.977 117.078 119.914 0.235 0.000 2.380 384 V HA -0.245 3.885 4.120 0.016 0.000 0.251 384 V C 1.430 177.517 176.094 -0.011 0.000 1.063 384 V CA 1.812 64.084 62.300 -0.046 0.000 1.055 384 V CB -1.292 30.395 31.823 -0.227 0.000 0.657 384 V HN 0.781 nan 8.190 nan 0.000 0.455 385 W N -0.245 121.162 121.300 0.178 0.000 2.468 385 W HA -0.014 4.656 4.660 0.016 0.000 0.262 385 W C 2.600 179.064 176.519 -0.091 0.000 1.241 385 W CA 1.177 58.535 57.345 0.021 0.000 1.232 385 W CB -0.453 29.046 29.460 0.064 0.000 1.124 385 W HN 0.356 nan 8.180 nan 0.000 0.597 386 H N -0.982 118.220 119.070 0.219 0.000 2.548 386 H HA 0.003 4.569 4.556 0.016 0.000 0.268 386 H C 1.902 177.321 175.328 0.151 0.000 0.975 386 H CA 1.003 57.125 56.048 0.124 0.000 1.195 386 H CB -0.396 29.380 29.762 0.024 0.000 1.397 386 H HN 0.177 nan 8.280 nan 0.000 0.572 387 M N 1.695 121.438 119.600 0.238 0.000 2.082 387 M HA -0.082 4.408 4.480 0.016 0.000 0.258 387 M C -0.918 175.478 176.300 0.160 0.000 1.069 387 M CA 1.603 57.019 55.300 0.193 0.000 1.102 387 M CB -0.865 31.781 32.600 0.076 0.000 1.336 387 M HN 0.065 nan 8.290 nan 0.000 0.404 388 P HA -0.017 nan 4.420 nan 0.000 0.217 388 P C 1.056 178.439 177.300 0.137 0.000 1.151 388 P CA 2.022 65.175 63.100 0.089 0.000 0.828 388 P CB -0.359 31.351 31.700 0.017 0.000 0.788 389 A N 0.155 123.070 122.820 0.158 0.000 1.898 389 A HA -0.121 4.209 4.320 0.016 0.000 0.216 389 A C 2.386 180.113 177.584 0.238 0.000 1.181 389 A CA 1.287 53.463 52.037 0.232 0.000 0.620 389 A CB -1.602 17.523 19.000 0.208 0.000 0.819 389 A HN 0.099 nan 8.150 nan 0.000 0.442 390 L N -0.508 120.862 121.223 0.245 0.000 2.046 390 L HA -0.164 4.186 4.340 0.016 0.000 0.208 390 L C 2.508 179.564 176.870 0.310 0.000 1.077 390 L CA 1.147 56.177 54.840 0.316 0.000 0.747 390 L CB -0.602 41.630 42.059 0.289 0.000 0.896 390 L HN 0.243 nan 8.230 nan 0.000 0.432 391 V N -0.104 119.949 119.914 0.232 0.000 2.427 391 V HA -0.272 3.857 4.120 0.016 0.000 0.248 391 V C 2.477 178.671 176.094 0.166 0.000 1.051 391 V CA 1.942 64.356 62.300 0.191 0.000 1.048 391 V CB -0.437 31.477 31.823 0.151 0.000 0.666 391 V HN 0.471 nan 8.190 nan 0.000 0.456 392 E N 0.612 120.935 120.200 0.204 0.000 2.051 392 E HA -0.207 4.153 4.350 0.016 0.000 0.192 392 E C 2.025 178.611 176.600 -0.025 0.000 0.991 392 E CA 1.867 58.373 56.400 0.176 0.000 0.799 392 E CB -0.274 29.772 29.700 0.576 0.000 0.748 392 E HN 0.592 nan 8.360 nan 0.000 0.449 393 I N -0.707 119.815 120.570 -0.080 0.000 2.233 393 I HA -0.176 4.003 4.170 0.016 0.000 0.243 393 I C 1.565 177.403 176.117 -0.464 0.000 1.093 393 I CA 0.963 62.040 61.300 -0.372 0.000 1.380 393 I CB -0.129 37.505 38.000 -0.611 0.000 1.067 393 I HN 0.132 nan 8.210 nan 0.000 0.413 394 F N 0.407 120.358 119.950 0.002 0.000 2.656 394 F HA 0.335 4.872 4.527 0.017 0.000 0.291 394 F C 1.597 177.399 175.800 0.004 0.000 1.122 394 F CA 0.547 58.544 58.000 -0.006 0.000 1.427 394 F CB -0.600 38.395 39.000 -0.009 0.000 1.125 394 F HN 0.146 nan 8.300 nan 0.000 0.583 395 G N 0.711 109.603 108.800 0.154 0.000 2.645 395 G HA2 -0.288 3.682 3.960 0.016 0.000 0.239 395 G HA3 -0.288 3.682 3.960 0.016 0.000 0.239 395 G C 0.309 175.281 174.900 0.120 0.000 1.331 395 G CA 0.111 45.276 45.100 0.109 0.000 0.890 395 G HN 0.146 nan 8.290 nan 0.000 0.572 396 D N 0.457 120.911 120.400 0.090 0.000 2.183 396 D HA 0.042 4.692 4.640 0.016 0.000 0.203 396 D C 0.913 177.256 176.300 0.073 0.000 0.969 396 D CA 1.255 55.304 54.000 0.081 0.000 0.842 396 D CB -0.092 40.752 40.800 0.074 0.000 0.957 396 D HN 0.370 nan 8.370 nan 0.000 0.484 397 D N 0.759 121.202 120.400 0.072 0.000 2.619 397 D HA 0.172 4.822 4.640 0.016 0.000 0.224 397 D C -0.088 176.234 176.300 0.037 0.000 1.133 397 D CA 0.070 54.101 54.000 0.053 0.000 1.017 397 D CB 0.015 40.846 40.800 0.052 0.000 1.077 397 D HN 0.011 nan 8.370 nan 0.000 0.503 398 S N -1.287 114.417 115.700 0.007 0.000 2.588 398 S HA 0.602 5.081 4.470 0.016 0.000 0.269 398 S C -0.966 173.575 174.600 -0.098 0.000 1.157 398 S CA -0.901 57.259 58.200 -0.067 0.000 0.824 398 S CB 1.740 64.915 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 -0.186 0.000 2.448 399 V HA 0.522 4.652 4.120 0.016 0.000 0.295 399 V C -0.765 175.216 176.094 -0.189 0.000 1.025 399 V CA -0.639 61.585 62.300 -0.127 0.000 0.859 399 V CB 1.195 32.924 31.823 -0.157 0.000 0.988 399 V HN 0.820 nan 8.190 nan 0.000 0.431 400 L N 5.051 126.214 121.223 -0.100 0.000 2.296 400 L HA 0.617 4.967 4.340 0.016 0.000 0.286 400 L C -0.239 176.495 176.870 -0.226 0.000 1.023 400 L CA -0.401 54.323 54.840 -0.193 0.000 0.812 400 L CB 1.438 43.499 42.059 0.004 0.000 1.223 400 L HN 0.601 nan 8.230 nan 0.000 0.421 401 Q N 3.422 122.922 119.800 -0.500 0.000 2.333 401 Q HA 0.556 4.906 4.340 0.016 0.000 0.267 401 Q C -1.579 174.029 176.000 -0.654 0.000 1.012 401 Q CA -0.527 55.055 55.803 -0.368 0.000 0.824 401 Q CB 2.769 31.379 28.738 -0.212 0.000 1.290 401 Q HN 0.410 nan 8.270 nan 0.000 0.449 402 F N 0.668 120.583 119.950 -0.058 0.000 2.513 402 F HA 0.359 4.896 4.527 0.016 0.000 0.358 402 F C 0.830 176.588 175.800 -0.071 0.000 1.118 402 F CA -0.653 57.302 58.000 -0.075 0.000 1.037 402 F CB 1.398 40.353 39.000 -0.076 0.000 1.276 402 F HN 0.746 nan 8.300 nan 0.000 0.446 403 G N 1.571 110.388 108.800 0.029 0.000 2.655 403 G HA2 0.069 4.038 3.960 0.016 0.000 0.217 403 G HA3 0.069 4.038 3.960 0.016 0.000 0.217 403 G C 1.752 176.663 174.900 0.018 0.000 1.279 403 G CA 0.600 45.713 45.100 0.022 0.000 0.870 403 G HN 0.759 nan 8.290 nan 0.000 0.560 404 G N 0.601 109.394 108.800 -0.012 0.000 2.462 404 G HA2 0.091 4.060 3.960 0.016 0.000 0.220 404 G HA3 0.091 4.060 3.960 0.016 0.000 0.220 404 G C 1.623 176.428 174.900 -0.159 0.000 1.121 404 G CA 1.306 46.387 45.100 -0.031 0.000 0.758 404 G HN 0.682 nan 8.290 nan 0.000 0.559 405 G N -0.782 107.883 108.800 -0.224 0.000 2.776 405 G HA2 0.168 4.138 3.960 0.016 0.000 0.209 405 G HA3 0.168 4.138 3.960 0.016 0.000 0.209 405 G C 1.389 176.236 174.900 -0.087 0.000 1.145 405 G CA 1.449 46.303 45.100 -0.409 0.000 0.791 405 G HN 0.397 nan 8.290 nan 0.000 0.530 406 T N 0.169 114.750 114.554 0.044 0.000 3.138 406 T HA 0.097 4.457 4.350 0.016 0.000 0.245 406 T C 1.991 176.773 174.700 0.136 0.000 0.982 406 T CA -0.080 62.071 62.100 0.086 0.000 1.134 406 T CB -0.022 68.876 68.868 0.049 0.000 1.032 406 T HN 0.051 nan 8.240 nan 0.000 0.442 407 L N 1.524 122.811 121.223 0.106 0.000 2.465 407 L HA 0.261 4.611 4.340 0.016 0.000 0.224 407 L C 2.259 179.238 176.870 0.182 0.000 1.145 407 L CA 0.914 55.819 54.840 0.110 0.000 0.834 407 L CB -0.314 41.781 42.059 0.060 0.000 0.944 407 L HN 0.367 nan 8.230 nan 0.000 0.451 408 G N -3.028 105.944 108.800 0.287 0.000 3.189 408 G HA2 -0.104 3.865 3.960 0.016 0.000 0.225 408 G HA3 -0.104 3.865 3.960 0.016 0.000 0.225 408 G C 0.507 175.699 174.900 0.487 0.000 1.159 408 G CA -0.307 45.047 45.100 0.425 0.000 0.763 408 G HN 0.297 nan 8.290 nan 0.000 0.549 409 H N 2.466 121.739 119.070 0.339 0.000 3.253 409 H HA 0.057 4.622 4.556 0.016 0.000 0.250 409 H C -0.975 174.318 175.328 -0.059 0.000 1.051 409 H CA -1.294 54.796 56.048 0.070 0.000 1.458 409 H CB 1.357 31.138 29.762 0.032 0.000 1.549 409 H HN 0.058 nan 8.280 nan 0.000 0.506 410 P HA -0.247 nan 4.420 nan 0.000 0.224 410 P C 0.602 178.021 177.300 0.197 0.000 1.154 410 P CA 1.443 64.462 63.100 -0.136 0.000 0.847 410 P CB -0.089 31.463 31.700 -0.246 0.000 0.769 411 W N -0.728 120.550 121.300 -0.038 0.000 3.220 411 W HA 0.526 5.196 4.660 0.016 0.000 0.328 411 W C 1.320 177.878 176.519 0.064 0.000 1.205 411 W CA 0.537 57.899 57.345 0.027 0.000 1.773 411 W CB -0.500 28.997 29.460 0.061 0.000 1.086 411 W HN 0.117 nan 8.180 nan 0.000 0.622 412 G N 0.939 109.898 108.800 0.265 0.000 2.447 412 G HA2 -0.283 3.686 3.960 0.016 0.000 0.220 412 G HA3 -0.283 3.686 3.960 0.016 0.000 0.220 412 G C 0.619 175.621 174.900 0.169 0.000 1.261 412 G CA -0.065 45.145 45.100 0.183 0.000 1.000 412 G HN -0.025 nan 8.290 nan 0.000 0.515 413 N N 0.088 118.850 118.700 0.103 0.000 2.109 413 N HA 0.145 4.894 4.740 0.016 0.000 0.188 413 N C 2.707 178.222 175.510 0.008 0.000 1.034 413 N CA 2.575 55.659 53.050 0.057 0.000 0.846 413 N CB -0.702 37.803 38.487 0.029 0.000 1.010 413 N HN 1.057 nan 8.380 nan 0.000 0.425 414 A N 1.527 124.351 122.820 0.007 0.000 1.902 414 A HA -0.044 4.286 4.320 0.016 0.000 0.217 414 A C -0.365 177.177 177.584 -0.070 0.000 1.181 414 A CA 1.322 53.336 52.037 -0.038 0.000 0.623 414 A CB -1.488 17.505 19.000 -0.012 0.000 0.818 414 A HN 0.250 nan 8.150 nan 0.000 0.443 415 P HA -0.059 nan 4.420 nan 0.000 0.219 415 P C 1.743 178.564 177.300 -0.799 0.000 1.150 415 P CA 1.680 64.693 63.100 -0.144 0.000 0.814 415 P CB -0.509 31.348 31.700 0.263 0.000 0.787 416 G N 0.661 109.194 108.800 -0.446 0.000 2.440 416 G HA2 -0.249 3.721 3.960 0.016 0.000 0.218 416 G HA3 -0.249 3.721 3.960 0.016 0.000 0.218 416 G C 1.748 176.467 174.900 -0.302 0.000 1.154 416 G CA 1.091 45.997 45.100 -0.323 0.000 0.767 416 G HN 0.343 nan 8.290 nan 0.000 0.552 417 A N 0.081 122.776 122.820 -0.208 0.000 1.898 417 A HA 0.013 4.343 4.320 0.016 0.000 0.216 417 A C 2.516 179.981 177.584 -0.199 0.000 1.181 417 A CA 2.372 54.311 52.037 -0.163 0.000 0.620 417 A CB -0.935 17.983 19.000 -0.137 0.000 0.819 417 A HN 0.278 nan 8.150 nan 0.000 0.442 418 T N 0.240 114.652 114.554 -0.236 0.000 2.746 418 T HA -0.029 4.331 4.350 0.016 0.000 0.267 418 T C 2.205 176.761 174.700 -0.240 0.000 1.039 418 T CA 1.521 63.503 62.100 -0.196 0.000 1.142 418 T CB -0.442 68.335 68.868 -0.151 0.000 0.866 418 T HN 0.597 nan 8.240 nan 0.000 0.444 419 A N 2.001 124.586 122.820 -0.391 0.000 1.883 419 A HA -0.211 4.119 4.320 0.016 0.000 0.217 419 A C 2.126 179.577 177.584 -0.221 0.000 1.186 419 A CA 2.206 54.063 52.037 -0.299 0.000 0.624 419 A CB -0.930 17.920 19.000 -0.251 0.000 0.822 419 A HN 0.626 nan 8.150 nan 0.000 0.444 420 N N -1.334 117.239 118.700 -0.211 0.000 2.142 420 N HA -0.149 4.600 4.740 0.016 0.000 0.186 420 N C 1.962 177.362 175.510 -0.184 0.000 1.023 420 N CA 1.309 54.220 53.050 -0.231 0.000 0.852 420 N CB -0.140 38.227 38.487 -0.200 0.000 0.998 420 N HN 0.431 nan 8.380 nan 0.000 0.424 421 R N 1.120 121.536 120.500 -0.141 0.000 2.081 421 R HA -0.004 4.346 4.340 0.016 0.000 0.235 421 R C 1.689 177.946 176.300 -0.071 0.000 1.131 421 R CA 1.057 57.100 56.100 -0.095 0.000 0.960 421 R CB -0.720 29.532 30.300 -0.082 0.000 0.856 421 R HN 0.029 nan 8.270 nan 0.000 0.436 422 V N 0.757 120.619 119.914 -0.086 0.000 2.307 422 V HA -0.169 3.961 4.120 0.016 0.000 0.245 422 V C 2.347 178.389 176.094 -0.087 0.000 1.045 422 V CA 1.890 64.158 62.300 -0.052 0.000 1.024 422 V CB -0.934 30.801 31.823 -0.147 0.000 0.651 422 V HN 0.536 nan 8.190 nan 0.000 0.449 423 A N -0.188 122.535 122.820 -0.161 0.000 1.908 423 A HA -0.231 4.099 4.320 0.016 0.000 0.218 423 A C 2.175 179.694 177.584 -0.109 0.000 1.181 423 A CA 2.281 54.215 52.037 -0.171 0.000 0.627 423 A CB -0.582 18.272 19.000 -0.243 0.000 0.818 423 A HN 0.478 nan 8.150 nan 0.000 0.445 424 L N -0.067 121.096 121.223 -0.099 0.000 2.005 424 L HA -0.130 4.220 4.340 0.016 0.000 0.207 424 L C 2.227 179.090 176.870 -0.012 0.000 1.072 424 L CA 2.448 57.259 54.840 -0.048 0.000 0.744 424 L CB -0.608 41.425 42.059 -0.044 0.000 0.895 424 L HN 0.494 nan 8.230 nan 0.000 0.433 425 E N -0.286 119.913 120.200 -0.002 0.000 2.153 425 E HA -0.198 4.162 4.350 0.016 0.000 0.194 425 E C 2.131 178.759 176.600 0.048 0.000 0.988 425 E CA 0.999 57.414 56.400 0.026 0.000 0.811 425 E CB -0.275 29.449 29.700 0.041 0.000 0.746 425 E HN 0.678 nan 8.360 nan 0.000 0.466 426 A N 0.843 123.697 122.820 0.057 0.000 1.902 426 A HA -0.187 4.143 4.320 0.016 0.000 0.217 426 A C 2.424 180.033 177.584 0.042 0.000 1.181 426 A CA 1.149 53.231 52.037 0.074 0.000 0.623 426 A CB -0.754 18.284 19.000 0.063 0.000 0.818 426 A HN 0.335 nan 8.150 nan 0.000 0.443 427 C N -1.446 117.866 119.300 0.021 0.000 2.466 427 C HA -0.012 4.458 4.460 0.016 0.000 0.278 427 C C 2.741 177.754 174.990 0.038 0.000 1.288 427 C CA 0.901 59.935 59.018 0.027 0.000 1.722 427 C CB -1.114 26.640 27.740 0.025 0.000 2.017 427 C HN 0.453 nan 8.230 nan 0.000 0.488 428 V N 0.653 120.589 119.914 0.036 0.000 2.358 428 V HA -0.271 3.859 4.120 0.016 0.000 0.246 428 V C 2.525 178.643 176.094 0.039 0.000 1.047 428 V CA 2.137 64.460 62.300 0.039 0.000 1.035 428 V CB -0.880 30.963 31.823 0.032 0.000 0.658 428 V HN 0.622 nan 8.190 nan 0.000 0.452 429 Q N -0.007 119.816 119.800 0.038 0.000 2.061 429 Q HA -0.240 4.110 4.340 0.016 0.000 0.204 429 Q C 2.269 178.291 176.000 0.036 0.000 0.984 429 Q CA 2.198 58.022 55.803 0.036 0.000 0.846 429 Q CB -0.288 28.474 28.738 0.039 0.000 0.902 429 Q HN 0.620 nan 8.270 nan 0.000 0.421 430 A N 1.373 124.217 122.820 0.040 0.000 1.877 430 A HA -0.228 4.102 4.320 0.016 0.000 0.216 430 A C 2.157 179.765 177.584 0.039 0.000 1.186 430 A CA 1.571 53.631 52.037 0.039 0.000 0.620 430 A CB -0.775 18.249 19.000 0.040 0.000 0.822 430 A HN 0.455 nan 8.150 nan 0.000 0.443 431 R N -0.246 120.281 120.500 0.044 0.000 2.083 431 R HA -0.204 4.145 4.340 0.016 0.000 0.237 431 R C 1.655 177.979 176.300 0.041 0.000 1.137 431 R CA 2.033 58.161 56.100 0.047 0.000 0.951 431 R CB -0.429 29.903 30.300 0.053 0.000 0.851 431 R HN 0.508 nan 8.270 nan 0.000 0.434 432 N N 0.839 119.562 118.700 0.039 0.000 2.289 432 N HA -0.137 4.613 4.740 0.016 0.000 0.184 432 N C 1.100 176.626 175.510 0.027 0.000 1.016 432 N CA 1.234 54.304 53.050 0.033 0.000 0.872 432 N CB -0.066 38.440 38.487 0.033 0.000 0.973 432 N HN 0.450 nan 8.380 nan 0.000 0.433 433 E N -0.929 119.287 120.200 0.027 0.000 2.435 433 E HA 0.121 4.480 4.350 0.016 0.000 0.195 433 E C 0.739 177.353 176.600 0.024 0.000 1.029 433 E CA 0.367 56.781 56.400 0.023 0.000 0.865 433 E CB 0.167 29.880 29.700 0.022 0.000 0.833 433 E HN 0.418 nan 8.360 nan 0.000 0.510 434 G N 1.536 110.353 108.800 0.028 0.000 2.184 434 G HA2 -0.213 3.757 3.960 0.016 0.000 0.206 434 G HA3 -0.213 3.757 3.960 0.016 0.000 0.206 434 G C 0.110 175.030 174.900 0.034 0.000 0.995 434 G CA -0.523 44.594 45.100 0.029 0.000 0.651 434 G HN 0.026 nan 8.290 nan 0.000 0.511 435 R N 0.694 121.216 120.500 0.036 0.000 2.543 435 R HA 0.324 4.674 4.340 0.016 0.000 0.277 435 R C -0.617 175.713 176.300 0.051 0.000 1.074 435 R CA -0.350 55.774 56.100 0.040 0.000 1.076 435 R CB 0.682 31.005 30.300 0.038 0.000 0.993 435 R HN 0.247 nan 8.270 nan 0.000 0.459 436 D N 2.950 123.385 120.400 0.058 0.000 2.336 436 D HA 0.044 4.694 4.640 0.016 0.000 0.249 436 D C 1.128 177.481 176.300 0.089 0.000 1.213 436 D CA -0.087 53.961 54.000 0.080 0.000 0.870 436 D CB 0.698 41.554 40.800 0.092 0.000 1.076 436 D HN 0.410 nan 8.370 nan 0.000 0.483 437 L N 3.593 124.877 121.223 0.101 0.000 2.131 437 L HA -0.171 4.178 4.340 0.016 0.000 0.210 437 L C 1.708 178.650 176.870 0.119 0.000 1.092 437 L CA 0.854 55.754 54.840 0.099 0.000 0.759 437 L CB -0.446 41.678 42.059 0.107 0.000 0.903 437 L HN 0.570 nan 8.230 nan 0.000 0.435 438 Y N 0.806 121.131 120.300 0.042 0.000 2.133 438 Y HA -0.239 4.321 4.550 0.016 0.000 0.287 438 Y C 2.894 178.821 175.900 0.045 0.000 1.134 438 Y CA 1.713 59.838 58.100 0.042 0.000 1.133 438 Y CB -0.168 38.307 38.460 0.025 0.000 0.987 438 Y HN -0.020 nan 8.280 nan 0.000 0.502 439 R N 0.341 120.850 120.500 0.016 0.000 2.119 439 R HA -0.058 4.292 4.340 0.016 0.000 0.222 439 R C 1.121 177.390 176.300 -0.052 0.000 1.088 439 R CA 1.753 57.820 56.100 -0.055 0.000 0.984 439 R CB -0.104 30.240 30.300 0.073 0.000 0.884 439 R HN 0.470 nan 8.270 nan 0.000 0.447 440 E N -1.037 119.159 120.200 -0.007 0.000 2.498 440 E HA 0.107 4.467 4.350 0.016 0.000 0.203 440 E C 1.385 177.985 176.600 0.001 0.000 1.013 440 E CA 0.177 56.579 56.400 0.003 0.000 0.927 440 E CB 0.958 30.672 29.700 0.023 0.000 1.012 440 E HN 0.485 nan 8.360 nan 0.000 0.482 441 G N 1.621 110.417 108.800 -0.007 0.000 2.446 441 G HA2 -0.291 3.678 3.960 0.016 0.000 0.217 441 G HA3 -0.291 3.678 3.960 0.016 0.000 0.217 441 G C 1.517 176.411 174.900 -0.010 0.000 1.168 441 G CA 0.931 46.033 45.100 0.003 0.000 0.771 441 G HN 0.381 nan 8.290 nan 0.000 0.551 442 G N 0.663 109.470 108.800 0.011 0.000 2.440 442 G HA2 -0.187 3.782 3.960 0.016 0.000 0.218 442 G HA3 -0.187 3.782 3.960 0.016 0.000 0.218 442 G C 1.489 176.384 174.900 -0.008 0.000 1.154 442 G CA 1.358 46.481 45.100 0.038 0.000 0.767 442 G HN 0.360 nan 8.290 nan 0.000 0.552 443 D N 0.684 121.086 120.400 0.003 0.000 2.097 443 D HA -0.058 4.592 4.640 0.016 0.000 0.197 443 D C 2.589 178.877 176.300 -0.020 0.000 0.984 443 D CA 0.482 54.482 54.000 -0.001 0.000 0.826 443 D CB -0.202 40.605 40.800 0.011 0.000 0.973 443 D HN 0.363 nan 8.370 nan 0.000 0.460 444 I N 0.855 121.415 120.570 -0.017 0.000 2.264 444 I HA -0.259 3.921 4.170 0.016 0.000 0.248 444 I C 2.458 178.538 176.117 -0.063 0.000 1.111 444 I CA 0.803 62.093 61.300 -0.016 0.000 1.382 444 I CB -0.147 37.851 38.000 -0.003 0.000 1.060 444 I HN -0.023 nan 8.210 nan 0.000 0.418 445 L N -0.285 120.866 121.223 -0.119 0.000 2.072 445 L HA -0.165 4.185 4.340 0.016 0.000 0.205 445 L C 2.760 179.477 176.870 -0.255 0.000 1.079 445 L CA 1.093 55.800 54.840 -0.221 0.000 0.752 445 L CB -0.436 41.432 42.059 -0.318 0.000 0.906 445 L HN 0.093 nan 8.230 nan 0.000 0.436 446 R N 0.355 120.735 120.500 -0.200 0.000 2.083 446 R HA -0.171 4.178 4.340 0.016 0.000 0.237 446 R C 2.143 178.371 176.300 -0.120 0.000 1.137 446 R CA 1.394 57.402 56.100 -0.154 0.000 0.951 446 R CB -0.370 29.892 30.300 -0.063 0.000 0.851 446 R HN 0.378 nan 8.270 nan 0.000 0.434 447 E N -0.343 119.817 120.200 -0.066 0.000 2.033 447 E HA -0.255 4.105 4.350 0.016 0.000 0.199 447 E C 1.991 178.559 176.600 -0.055 0.000 1.011 447 E CA 1.542 57.943 56.400 0.001 0.000 0.815 447 E CB -0.270 29.466 29.700 0.059 0.000 0.755 447 E HN 0.431 nan 8.360 nan 0.000 0.451 448 A N 1.005 123.727 122.820 -0.163 0.000 1.972 448 A HA -0.077 4.253 4.320 0.016 0.000 0.219 448 A C 2.403 179.438 177.584 -0.915 0.000 1.169 448 A CA 1.536 53.248 52.037 -0.542 0.000 0.635 448 A CB -0.959 17.821 19.000 -0.367 0.000 0.810 448 A HN 0.368 nan 8.150 nan 0.000 0.446 449 G N -0.558 107.939 108.800 -0.505 0.000 2.470 449 G HA2 -0.202 3.767 3.960 0.016 0.000 0.220 449 G HA3 -0.202 3.767 3.960 0.016 0.000 0.220 449 G C 1.568 176.275 174.900 -0.321 0.000 1.121 449 G CA 1.251 46.100 45.100 -0.418 0.000 0.766 449 G HN 0.489 nan 8.290 nan 0.000 0.553 450 K N 0.158 120.412 120.400 -0.243 0.000 2.097 450 K HA -0.040 4.290 4.320 0.016 0.000 0.206 450 K C 2.026 178.635 176.600 0.015 0.000 1.049 450 K CA 1.533 57.782 56.287 -0.064 0.000 0.933 450 K CB -0.194 32.335 32.500 0.048 0.000 0.717 450 K HN 0.758 nan 8.250 nan 0.000 0.442 451 W N -2.107 119.184 121.300 -0.016 0.000 3.103 451 W HA 0.426 5.095 4.660 0.016 0.000 0.325 451 W C -0.097 176.421 176.519 -0.002 0.000 1.170 451 W CA -0.435 56.906 57.345 -0.006 0.000 1.712 451 W CB -0.103 29.351 29.460 -0.010 0.000 1.068 451 W HN -0.144 nan 8.180 nan 0.000 0.592 452 S N 2.921 118.326 115.700 -0.490 0.000 2.532 452 S HA 0.366 4.845 4.470 0.016 0.000 0.318 452 S C -1.470 173.008 174.600 -0.203 0.000 1.083 452 S CA -1.328 56.654 58.200 -0.363 0.000 1.131 452 S CB 1.256 64.021 63.200 -0.725 0.000 0.973 452 S HN -0.304 nan 8.310 nan 0.000 0.468 453 P HA -0.151 nan 4.420 nan 0.000 0.216 453 P C 1.377 178.617 177.300 -0.100 0.000 1.150 453 P CA 1.022 64.158 63.100 0.060 0.000 0.837 453 P CB 0.135 32.009 31.700 0.289 0.000 0.786 454 E N -0.330 119.821 120.200 -0.082 0.000 2.152 454 E HA -0.129 4.230 4.350 0.016 0.000 0.192 454 E C 1.978 178.572 176.600 -0.010 0.000 0.983 454 E CA 0.838 57.120 56.400 -0.197 0.000 0.818 454 E CB -1.346 28.317 29.700 -0.061 0.000 0.758 454 E HN 0.213 nan 8.360 nan 0.000 0.467 455 L N 1.602 122.729 121.223 -0.161 0.000 2.056 455 L HA 0.052 4.402 4.340 0.016 0.000 0.207 455 L C 2.439 179.150 176.870 -0.266 0.000 1.078 455 L CA 1.937 56.653 54.840 -0.207 0.000 0.749 455 L CB -0.828 41.027 42.059 -0.340 0.000 0.901 455 L HN 0.111 nan 8.230 nan 0.000 0.433 456 A N -0.253 122.400 122.820 -0.278 0.000 1.908 456 A HA -0.138 4.192 4.320 0.016 0.000 0.218 456 A C 2.468 179.876 177.584 -0.293 0.000 1.181 456 A CA 1.914 53.800 52.037 -0.253 0.000 0.627 456 A CB -1.217 17.677 19.000 -0.177 0.000 0.818 456 A HN 0.583 nan 8.150 nan 0.000 0.445 457 A N -0.305 122.256 122.820 -0.432 0.000 1.933 457 A HA 0.152 4.481 4.320 0.016 0.000 0.218 457 A C 2.473 179.664 177.584 -0.655 0.000 1.175 457 A CA 2.134 53.803 52.037 -0.613 0.000 0.628 457 A CB -0.892 17.422 19.000 -1.144 0.000 0.814 457 A HN 1.033 nan 8.150 nan 0.000 0.444 458 A N -0.349 122.102 122.820 -0.616 0.000 1.897 458 A HA 0.068 4.398 4.320 0.016 0.000 0.215 458 A C 2.144 179.569 177.584 -0.265 0.000 1.181 458 A CA 1.258 52.997 52.037 -0.495 0.000 0.620 458 A CB -0.568 18.390 19.000 -0.070 0.000 0.821 458 A HN 0.446 nan 8.150 nan 0.000 0.443 459 L N -0.333 120.736 121.223 -0.257 0.000 2.042 459 L HA -0.230 4.120 4.340 0.016 0.000 0.210 459 L C 2.166 179.155 176.870 0.197 0.000 1.076 459 L CA 1.570 56.239 54.840 -0.285 0.000 0.749 459 L CB -0.685 41.057 42.059 -0.527 0.000 0.893 459 L HN 0.334 nan 8.230 nan 0.000 0.432 460 D N -0.085 120.312 120.400 -0.006 0.000 2.097 460 D HA -0.188 4.462 4.640 0.016 0.000 0.195 460 D C 2.092 178.330 176.300 -0.103 0.000 0.989 460 D CA 1.149 55.151 54.000 0.004 0.000 0.827 460 D CB -0.115 40.618 40.800 -0.110 0.000 0.966 460 D HN 0.129 nan 8.370 nan 0.000 0.456 461 L N -0.351 120.663 121.223 -0.349 0.000 2.046 461 L HA -0.118 4.231 4.340 0.016 0.000 0.208 461 L C 1.284 177.855 176.870 -0.499 0.000 1.077 461 L CA 1.435 55.914 54.840 -0.601 0.000 0.747 461 L CB -0.299 41.054 42.059 -1.177 0.000 0.896 461 L HN 0.155 nan 8.230 nan 0.000 0.432 462 W N -0.429 120.767 121.300 -0.173 0.000 2.966 462 W HA 0.255 4.925 4.660 0.017 0.000 0.406 462 W C 1.593 177.850 176.519 -0.438 0.000 1.027 462 W CA -0.548 56.489 57.345 -0.514 0.000 1.930 462 W CB -0.525 28.346 29.460 -0.981 0.000 1.144 462 W HN 0.206 nan 8.180 nan 0.000 0.626 463 K N 1.539 121.958 120.400 0.032 0.000 2.642 463 K HA -0.152 4.177 4.320 0.016 0.000 0.194 463 K C -0.320 175.939 176.600 -0.569 0.000 1.039 463 K CA 1.253 57.023 56.287 -0.863 0.000 0.947 463 K CB 0.155 32.260 32.500 -0.659 0.000 0.784 463 K HN -0.118 nan 8.250 nan 0.000 0.491 464 E N 0.355 120.426 120.200 -0.215 0.000 2.649 464 E HA 0.055 4.415 4.350 0.016 0.000 0.308 464 E C -0.803 175.826 176.600 0.048 0.000 1.017 464 E CA -0.617 55.758 56.400 -0.042 0.000 0.848 464 E CB 0.741 30.474 29.700 0.056 0.000 1.240 464 E HN 0.055 nan 8.360 nan 0.000 0.421 465 I N 1.586 122.175 120.570 0.031 0.000 4.637 465 I HA -0.350 3.830 4.170 0.016 0.000 0.126 465 I C 0.157 176.355 176.117 0.134 0.000 1.134 465 I CA 1.308 62.664 61.300 0.092 0.000 2.675 465 I CB -1.062 37.011 38.000 0.122 0.000 1.781 465 I HN 0.535 nan 8.210 nan 0.000 0.328 466 K N 6.256 126.713 120.400 0.095 0.000 2.208 466 K HA 0.668 4.997 4.320 0.016 0.000 0.247 466 K C -0.282 176.284 176.600 -0.057 0.000 0.953 466 K CA -0.961 55.337 56.287 0.019 0.000 0.837 466 K CB 1.382 33.804 32.500 -0.130 0.000 1.131 466 K HN 0.241 nan 8.250 nan 0.000 0.431 467 F N 1.076 120.966 119.950 -0.100 0.000 2.259 467 F HA -0.252 4.284 4.527 0.016 0.000 0.309 467 F C -0.394 175.338 175.800 -0.114 0.000 1.079 467 F CA 0.803 58.742 58.000 -0.102 0.000 1.099 467 F CB -1.145 37.856 39.000 0.002 0.000 1.521 467 F HN 0.576 nan 8.300 nan 0.000 0.783 468 E N 1.709 121.485 120.200 -0.707 0.000 2.397 468 E HA 0.369 4.729 4.350 0.016 0.000 0.293 468 E C -0.468 175.787 176.600 -0.574 0.000 0.930 468 E CA -0.632 55.423 56.400 -0.575 0.000 0.793 468 E CB 0.921 30.371 29.700 -0.415 0.000 1.259 468 E HN 0.216 nan 8.360 nan 0.000 0.406 469 F N 0.989 120.943 119.950 0.008 0.000 2.637 469 F HA 0.191 4.727 4.527 0.016 0.000 0.284 469 F C 1.072 176.902 175.800 0.049 0.000 1.105 469 F CA 0.244 58.284 58.000 0.067 0.000 1.356 469 F CB 0.536 39.612 39.000 0.126 0.000 1.096 469 F HN 0.584 nan 8.300 nan 0.000 0.616 470 E N 0.244 120.648 120.200 0.339 0.000 8.774 470 E HA -0.220 4.140 4.350 0.016 0.000 0.169 470 E C -0.625 176.331 176.600 0.595 0.000 1.453 470 E CA 0.624 57.247 56.400 0.370 0.000 2.527 470 E CB -0.548 29.255 29.700 0.172 0.000 1.274 470 E HN 0.107 nan 8.360 nan 0.000 0.438 471 T N 1.918 116.530 114.554 0.097 0.000 2.916 471 T HA 0.093 4.453 4.350 0.016 0.000 0.303 471 T C 1.115 175.843 174.700 0.047 0.000 1.025 471 T CA 0.050 62.185 62.100 0.059 0.000 1.142 471 T CB 0.530 69.425 68.868 0.045 0.000 0.947 471 T HN 0.274 nan 8.240 nan 0.000 0.544 472 M N 1.568 121.187 119.600 0.032 0.000 2.156 472 M HA 0.105 4.594 4.480 0.016 0.000 0.238 472 M C 1.344 177.655 176.300 0.019 0.000 1.165 472 M CA 0.571 55.885 55.300 0.023 0.000 1.153 472 M CB -1.561 31.050 32.600 0.017 0.000 1.200 472 M HN 0.533 nan 8.290 nan 0.000 0.442 473 D N 3.302 123.711 120.400 0.016 0.000 2.813 473 D HA -0.080 4.570 4.640 0.016 0.000 0.236 473 D C -0.435 175.871 176.300 0.011 0.000 1.135 473 D CA 0.493 54.500 54.000 0.011 0.000 1.515 473 D CB -0.422 40.383 40.800 0.009 0.000 1.148 473 D HN 0.161 nan 8.370 nan 0.000 0.487 474 K N 1.415 121.821 120.400 0.011 0.000 2.185 474 K HA 0.262 4.592 4.320 0.016 0.000 0.271 474 K C 0.809 177.413 176.600 0.008 0.000 1.013 474 K CA -0.859 55.434 56.287 0.010 0.000 0.943 474 K CB 1.265 33.770 32.500 0.009 0.000 0.998 474 K HN 0.247 nan 8.250 nan 0.000 0.468 475 L N 0.000 121.227 121.223 0.007 0.000 2.949 475 L HA 0.000 4.350 4.340 0.016 0.000 0.249 475 L CA 0.000 54.843 54.840 0.006 0.000 0.813 475 L CB 0.000 42.062 42.059 0.006 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502