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_C 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 0.444 123.281 122.820 0.027 0.000 2.515 10 A HA 0.610 4.940 4.320 0.015 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 -0.731 18.301 19.000 0.052 0.000 1.040 10 A HN 1.865 nan 8.150 nan 0.000 0.505 11 A N 3.132 125.979 122.820 0.045 0.000 2.476 11 A HA 0.530 4.859 4.320 0.015 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 17.810 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 0.015 0.000 0.686 12 G HA3 -0.101 3.868 3.960 0.015 0.000 0.686 12 G C -0.621 174.374 174.900 0.158 0.000 1.115 12 G CA -0.256 44.900 45.100 0.093 0.000 0.770 12 G HN 1.207 nan 8.290 nan 0.000 0.601 13 Y N 2.991 123.313 120.300 0.037 0.000 2.425 13 Y HA 0.596 5.156 4.550 0.016 0.000 0.347 13 Y C 0.580 176.495 175.900 0.025 0.000 0.976 13 Y CA -1.355 56.776 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 5.310 125.579 120.400 -0.218 0.000 2.367 14 K HA 0.800 5.129 4.320 0.015 0.000 0.263 14 K C -0.505 175.783 176.600 -0.520 0.000 1.000 14 K CA -0.678 55.387 56.287 -0.370 0.000 0.891 14 K CB 1.267 33.673 32.500 -0.157 0.000 1.117 14 K HN 0.587 nan 8.250 nan 0.000 0.443 15 A N 2.780 125.124 122.820 -0.793 0.000 2.406 15 A HA 0.671 5.000 4.320 0.015 0.000 0.243 15 A C 0.709 178.158 177.584 -0.226 0.000 1.082 15 A CA 0.654 52.392 52.037 -0.498 0.000 0.786 15 A CB -0.306 18.463 19.000 -0.385 0.000 1.029 15 A HN 1.206 nan 8.150 nan 0.000 0.495 16 G N -1.355 107.355 108.800 -0.151 0.000 2.357 16 G HA2 0.331 4.300 3.960 0.015 0.000 0.643 16 G HA3 0.331 4.300 3.960 0.015 0.000 0.643 16 G C -0.943 173.881 174.900 -0.128 0.000 1.358 16 G CA -0.455 44.574 45.100 -0.119 0.000 0.986 16 G HN 1.436 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 0.440 4.570 4.120 0.015 0.000 0.277 17 V C 0.704 176.753 176.094 -0.074 0.000 1.046 17 V CA 0.110 62.358 62.300 -0.086 0.000 0.986 17 V CB 1.006 32.838 31.823 0.015 0.000 0.989 17 V HN 0.685 nan 8.190 nan 0.000 0.475 18 K N 2.472 122.809 120.400 -0.106 0.000 2.238 18 K HA 0.449 4.778 4.320 0.015 0.000 0.239 18 K C -0.951 175.576 176.600 -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 4.621 4.640 0.015 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 41.181 40.800 0.035 0.000 1.187 19 D HN 0.417 nan 8.370 nan 0.000 0.451 20 Y N 1.438 121.792 120.300 0.089 0.000 2.224 20 Y HA -0.221 4.338 4.550 0.015 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 -0.272 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 0.286 120.845 120.400 0.265 0.000 2.442 21 K HA -0.077 4.253 4.320 0.015 0.000 0.198 21 K C 1.480 178.199 176.600 0.199 0.000 1.042 21 K CA 1.234 57.655 56.287 0.224 0.000 0.958 21 K CB -0.529 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 1.059 122.364 121.223 0.137 0.000 2.141 22 L HA -0.085 4.264 4.340 0.015 0.000 0.209 22 L C 1.598 178.482 176.870 0.023 0.000 1.094 22 L CA 1.333 56.217 54.840 0.074 0.000 0.763 22 L CB -0.377 41.707 42.059 0.041 0.000 0.908 22 L HN 0.356 nan 8.230 nan 0.000 0.437 23 T N -2.950 111.608 114.554 0.006 0.000 3.018 23 T HA 0.029 4.388 4.350 0.015 0.000 0.246 23 T C 1.078 175.567 174.700 -0.351 0.000 1.026 23 T CA 0.421 62.377 62.100 -0.239 0.000 1.081 23 T CB 0.101 68.702 68.868 -0.444 0.000 0.970 23 T HN 0.138 nan 8.240 nan 0.000 0.475 24 Y N -0.524 119.816 120.300 0.067 0.000 2.445 24 Y HA 0.412 4.971 4.550 0.015 0.000 0.247 24 Y C 0.033 175.980 175.900 0.078 0.000 1.129 24 Y CA -1.282 56.837 58.100 0.032 0.000 1.251 24 Y CB 0.492 38.959 38.460 0.011 0.000 1.176 24 Y HN 0.157 nan 8.280 nan 0.000 0.522 25 Y N 2.302 122.656 120.300 0.091 0.000 2.404 25 Y HA 0.404 4.963 4.550 0.015 0.000 0.344 25 Y C 0.075 176.011 175.900 0.059 0.000 0.970 25 Y CA -1.377 56.761 58.100 0.063 0.000 1.180 25 Y CB 0.642 39.133 38.460 0.051 0.000 1.138 25 Y HN 0.043 nan 8.280 nan 0.000 0.510 26 T N 5.632 120.016 114.554 -0.284 0.000 3.504 26 T HA 0.257 4.616 4.350 0.015 0.000 0.286 26 T C -2.281 172.315 174.700 -0.173 0.000 1.530 26 T CA -1.648 60.332 62.100 -0.201 0.000 1.652 26 T CB 0.900 69.732 68.868 -0.059 0.000 0.895 26 T HN 0.464 nan 8.240 nan 0.000 0.674 27 P HA 0.032 nan 4.420 nan 0.000 0.228 27 P C 0.199 177.510 177.300 0.018 0.000 1.151 27 P CA 0.777 63.758 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 -2.106 118.297 120.400 0.006 0.000 2.340 28 D HA 0.030 4.679 4.640 0.015 0.000 0.217 28 D C 0.130 176.469 176.300 0.064 0.000 1.081 28 D CA -0.224 53.796 54.000 0.033 0.000 0.842 28 D CB -0.627 40.178 40.800 0.008 0.000 0.934 28 D HN 0.144 nan 8.370 nan 0.000 0.511 29 Y N 1.253 121.545 120.300 -0.013 0.000 2.377 29 Y HA 0.258 4.817 4.550 0.015 0.000 0.330 29 Y C -0.057 175.782 175.900 -0.101 0.000 1.108 29 Y CA -0.141 57.931 58.100 -0.046 0.000 1.308 29 Y CB 0.717 39.161 38.460 -0.025 0.000 1.216 29 Y HN -0.285 nan 8.280 nan 0.000 0.518 30 T N 9.408 123.468 114.554 -0.822 0.000 2.756 30 T HA 0.318 4.677 4.350 0.015 0.000 0.290 30 T C -2.610 171.428 174.700 -1.103 0.000 0.985 30 T CA -1.421 60.238 62.100 -0.735 0.000 0.955 30 T CB 0.938 69.561 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 1.873 122.173 120.400 -0.167 0.000 2.107 32 K HA 0.123 4.452 4.320 0.015 0.000 0.251 32 K C 0.684 177.245 176.600 -0.064 0.000 1.012 32 K CA -0.460 55.769 56.287 -0.096 0.000 0.920 32 K CB 0.427 32.913 32.500 -0.024 0.000 1.033 32 K HN 0.362 nan 8.250 nan 0.000 0.478 33 D N 0.596 120.966 120.400 -0.051 0.000 2.348 33 D HA -0.084 4.565 4.640 0.015 0.000 0.216 33 D C 1.389 177.677 176.300 -0.020 0.000 0.970 33 D CA 1.161 55.138 54.000 -0.039 0.000 0.889 33 D CB 0.092 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 -2.491 112.063 114.554 0.001 0.000 3.081 34 T HA 0.028 4.387 4.350 0.015 0.000 0.250 34 T C 0.573 175.307 174.700 0.057 0.000 1.100 34 T CA -0.436 61.682 62.100 0.030 0.000 1.038 34 T CB 0.364 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 2.158 122.587 120.400 0.048 0.000 2.382 35 D HA 0.207 4.856 4.640 0.015 0.000 0.245 35 D C -0.171 176.151 176.300 0.036 0.000 1.120 35 D CA -0.496 53.559 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 3.612 124.893 121.223 0.098 0.000 2.290 36 L HA 0.333 4.682 4.340 0.015 0.000 0.284 36 L C -0.970 175.908 176.870 0.014 0.000 1.078 36 L CA -0.222 54.572 54.840 -0.077 0.000 0.815 36 L CB -0.004 41.931 42.059 -0.207 0.000 1.162 36 L HN 0.285 nan 8.230 nan 0.000 0.435 37 L N 5.102 126.180 121.223 -0.241 0.000 2.325 37 L HA 0.794 5.143 4.340 0.015 0.000 0.278 37 L C -0.029 176.669 176.870 -0.287 0.000 1.023 37 L CA -0.624 54.081 54.840 -0.224 0.000 0.811 37 L CB 1.619 43.300 42.059 -0.630 0.000 1.249 37 L HN 0.761 nan 8.230 nan 0.000 0.431 38 A N 1.991 124.872 122.820 0.102 0.000 2.393 38 A HA 0.874 5.203 4.320 0.015 0.000 0.306 38 A C -0.792 176.884 177.584 0.153 0.000 1.050 38 A CA -0.540 51.525 52.037 0.047 0.000 0.724 38 A CB 1.767 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 0.751 5.080 4.320 0.015 0.000 0.315 39 A C -1.064 176.214 177.584 -0.510 0.000 1.256 39 A CA -0.274 51.478 52.037 -0.476 0.000 0.851 39 A CB -0.085 18.350 19.000 -0.941 0.000 1.172 39 A HN 0.631 nan 8.150 nan 0.000 0.508 40 F N 1.336 121.156 119.950 -0.215 0.000 2.458 40 F HA 0.579 5.115 4.527 0.015 0.000 0.330 40 F C 0.836 176.698 175.800 0.104 0.000 1.082 40 F CA -0.450 57.514 58.000 -0.060 0.000 0.995 40 F CB 1.715 40.680 39.000 -0.059 0.000 1.170 40 F HN 0.535 nan 8.300 nan 0.000 0.478 41 R N 4.080 124.766 120.500 0.308 0.000 2.295 41 R HA 0.518 4.867 4.340 0.015 0.000 0.324 41 R C -1.758 174.644 176.300 0.170 0.000 0.968 41 R CA -0.402 55.792 56.100 0.157 0.000 0.837 41 R CB 0.844 31.212 30.300 0.114 0.000 1.133 41 R HN 0.681 nan 8.270 nan 0.000 0.450 42 F N -0.116 119.812 119.950 -0.037 0.000 2.613 42 F HA 0.601 5.137 4.527 0.015 0.000 0.314 42 F C -1.322 174.495 175.800 0.029 0.000 1.075 42 F CA -0.954 57.028 58.000 -0.030 0.000 0.945 42 F CB 1.926 40.870 39.000 -0.094 0.000 1.310 42 F HN 0.138 nan 8.300 nan 0.000 0.467 43 S N 3.387 119.184 115.700 0.162 0.000 2.596 43 S HA 0.534 5.013 4.470 0.015 0.000 0.318 43 S C -2.850 171.889 174.600 0.233 0.000 1.097 43 S CA -1.242 57.028 58.200 0.117 0.000 1.080 43 S CB 1.601 64.832 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 -0.642 176.727 177.300 0.114 0.000 1.231 44 P CA -0.577 62.640 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 1.946 121.797 119.800 0.084 0.000 2.395 45 Q HA 0.122 4.471 4.340 0.015 0.000 0.271 45 Q C -1.795 174.235 176.000 0.050 0.000 1.026 45 Q CA -1.202 54.636 55.803 0.058 0.000 0.900 45 Q CB -0.657 28.108 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 0.578 177.894 177.300 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 31.902 31.700 0.023 0.000 0.773 47 G N 1.765 110.581 108.800 0.026 0.000 2.213 47 G HA2 -0.197 3.772 3.960 0.015 0.000 0.236 47 G HA3 -0.197 3.772 3.960 0.015 0.000 0.236 47 G C -0.121 174.791 174.900 0.020 0.000 0.991 47 G CA -0.153 44.959 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 4.601 4.120 0.015 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 33.177 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 0.680 177.894 177.300 -0.142 0.000 1.209 49 P CA -0.115 62.937 63.100 -0.080 0.000 0.776 49 P CB 1.262 32.917 31.700 -0.075 0.000 0.876 50 A N 3.278 125.943 122.820 -0.258 0.000 1.940 50 A HA -0.220 4.109 4.320 0.015 0.000 0.219 50 A C 1.680 179.109 177.584 -0.259 0.000 1.176 50 A CA 2.097 53.921 52.037 -0.354 0.000 0.631 50 A CB -1.173 17.242 19.000 -0.975 0.000 0.814 50 A HN 0.650 nan 8.150 nan 0.000 0.446 51 D N -0.299 119.886 120.400 -0.359 0.000 2.224 51 D HA -0.144 4.505 4.640 0.015 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 -0.530 39.708 40.800 -0.937 0.000 0.947 51 D HN 0.494 nan 8.370 nan 0.000 0.494 52 E N 1.110 121.165 120.200 -0.242 0.000 2.072 52 E HA 0.030 4.389 4.350 0.015 0.000 0.190 52 E C 2.044 178.540 176.600 -0.174 0.000 0.982 52 E CA 1.493 57.822 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 0.321 122.998 122.820 -0.239 0.000 1.902 53 A HA -0.023 4.306 4.320 0.015 0.000 0.217 53 A C 2.467 179.634 177.584 -0.695 0.000 1.181 53 A CA 1.738 53.538 52.037 -0.396 0.000 0.623 53 A CB -1.361 17.457 19.000 -0.303 0.000 0.818 53 A HN 0.412 nan 8.150 nan 0.000 0.443 54 G N -0.597 107.800 108.800 -0.672 0.000 2.422 54 G HA2 0.025 3.994 3.960 0.015 0.000 0.218 54 G HA3 0.025 3.994 3.960 0.015 0.000 0.218 54 G C 1.707 176.361 174.900 -0.409 0.000 1.146 54 G CA 1.374 46.104 45.100 -0.616 0.000 0.769 54 G HN 0.790 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 0.338 4.667 4.320 0.015 0.000 0.217 55 A C 2.782 180.117 177.584 -0.415 0.000 1.175 55 A CA 2.038 53.992 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 4.269 4.320 0.015 0.000 0.218 56 A C 2.091 178.995 177.584 -1.134 0.000 1.175 56 A CA 1.464 52.755 52.037 -1.244 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 -0.240 119.795 120.570 -0.892 0.000 2.179 57 I HA -0.275 3.904 4.170 0.015 0.000 0.242 57 I C 2.981 178.733 176.117 -0.608 0.000 1.088 57 I CA 1.099 61.899 61.300 -0.833 0.000 1.357 57 I CB -0.367 37.064 38.000 -0.948 0.000 1.051 57 I HN 0.346 nan 8.210 nan 0.000 0.409 58 A N 0.726 123.249 122.820 -0.495 0.000 1.902 58 A HA -0.169 4.160 4.320 0.015 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 -0.840 18.037 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 -0.827 0.000 1.855 59 A HA -0.117 4.212 4.320 0.015 0.000 0.215 59 A C 1.816 179.034 177.584 -0.611 0.000 1.191 59 A CA 1.492 52.783 52.037 -1.244 0.000 0.613 59 A CB -0.394 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 0.397 120.261 120.200 -0.561 0.000 2.502 60 E HA -0.013 4.346 4.350 0.015 0.000 0.194 60 E C 1.211 177.710 176.600 -0.169 0.000 1.062 60 E CA 0.810 57.021 56.400 -0.314 0.000 0.867 60 E CB -0.035 29.416 29.700 -0.416 0.000 0.888 60 E HN 0.706 nan 8.360 nan 0.000 0.510 61 S N -1.101 114.518 115.700 -0.136 0.000 2.578 61 S HA 0.131 4.610 4.470 0.015 0.000 0.231 61 S C 1.409 176.102 174.600 0.155 0.000 0.994 61 S CA 0.196 58.424 58.200 0.047 0.000 0.956 61 S CB 0.357 63.643 63.200 0.143 0.000 0.870 61 S HN 0.138 nan 8.310 nan 0.000 0.494 62 S N 1.580 117.322 115.700 0.071 0.000 3.889 62 S HA 0.176 4.655 4.470 0.015 0.000 0.185 62 S C 1.376 176.001 174.600 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 4.839 4.350 0.015 0.000 0.264 63 T C 0.780 175.528 174.700 0.080 0.000 0.964 63 T CA 0.356 62.503 62.100 0.078 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 0.253 109.063 108.800 0.017 0.000 2.461 64 G HA2 0.580 4.549 3.960 0.015 0.000 0.329 64 G HA3 0.580 4.549 3.960 0.015 0.000 0.329 64 G C -0.901 174.059 174.900 0.100 0.000 1.170 64 G CA -0.284 44.858 45.100 0.070 0.000 0.935 64 G HN 0.276 nan 8.290 nan 0.000 0.492 65 T N -1.088 113.562 114.554 0.160 0.000 2.626 65 T HA 0.421 4.780 4.350 0.015 0.000 0.279 65 T C 0.539 175.378 174.700 0.232 0.000 0.983 65 T CA -0.422 61.818 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 0.682 122.069 121.300 0.146 0.000 2.678 66 W HA 0.306 4.975 4.660 0.015 0.000 0.256 66 W C 0.306 176.790 176.519 -0.058 0.000 1.280 66 W CA 0.429 57.807 57.345 0.055 0.000 1.345 66 W CB -1.045 28.466 29.460 0.086 0.000 1.118 66 W HN 0.527 nan 8.180 nan 0.000 0.629 67 T N 0.903 114.988 114.554 -0.782 0.000 2.883 67 T HA 0.339 4.698 4.350 0.015 0.000 0.296 67 T C -0.506 173.961 174.700 -0.389 0.000 1.117 67 T CA -0.324 61.341 62.100 -0.725 0.000 1.006 67 T CB 1.884 69.958 68.868 -1.323 0.000 1.191 67 T HN -0.230 nan 8.240 nan 0.000 0.508 68 T N 2.586 117.010 114.554 -0.216 0.000 2.834 68 T HA 0.471 4.830 4.350 0.015 0.000 0.298 68 T C 0.139 174.882 174.700 0.072 0.000 0.966 68 T CA -0.370 61.706 62.100 -0.040 0.000 1.141 68 T CB 0.117 68.996 68.868 0.018 0.000 0.905 68 T HN 0.641 nan 8.240 nan 0.000 0.535 69 V N 2.763 122.699 119.914 0.037 0.000 2.715 69 V HA 0.524 4.653 4.120 0.015 0.000 0.310 69 V C 1.045 177.029 176.094 -0.183 0.000 1.054 69 V CA -1.174 61.095 62.300 -0.051 0.000 0.928 69 V CB 1.507 33.211 31.823 -0.198 0.000 1.007 69 V HN 1.030 nan 8.190 nan 0.000 0.437 70 W N 2.142 123.101 121.300 -0.569 0.000 2.519 70 W HA -0.053 4.616 4.660 0.015 0.000 0.266 70 W C 1.374 177.692 176.519 -0.335 0.000 1.253 70 W CA 1.272 58.136 57.345 -0.803 0.000 1.274 70 W CB -1.697 27.005 29.460 -1.263 0.000 1.114 70 W HN 0.756 nan 8.180 nan 0.000 0.596 71 T N -0.762 113.107 114.554 -1.142 0.000 2.962 71 T HA -0.211 4.148 4.350 0.015 0.000 0.270 71 T C 1.080 175.516 174.700 -0.441 0.000 1.088 71 T CA 1.597 63.069 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 -0.110 nan 8.240 nan 0.000 0.493 72 D N 1.821 122.051 120.400 -0.284 0.000 2.172 72 D HA -0.059 4.591 4.640 0.015 0.000 0.196 72 D C 1.723 177.980 176.300 -0.072 0.000 0.999 72 D CA 0.874 54.798 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 -0.086 121.106 121.223 -0.052 0.000 2.554 73 L HA 0.061 4.410 4.340 0.015 0.000 0.226 73 L C 1.918 178.801 176.870 0.021 0.000 1.137 73 L CA 0.026 54.876 54.840 0.016 0.000 0.863 73 L CB -0.038 42.065 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 4.371 4.340 0.015 0.000 0.218 74 L C 1.254 178.120 176.870 -0.007 0.000 1.130 74 L CA 0.560 55.394 54.840 -0.010 0.000 0.826 74 L CB -0.072 41.949 42.059 -0.063 0.000 0.941 74 L HN 0.216 nan 8.230 nan 0.000 0.451 75 T N -2.173 112.377 114.554 -0.006 0.000 2.693 75 T HA 0.194 4.553 4.350 0.015 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 1.881 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 2.193 122.683 120.400 0.150 0.000 2.493 76 D HA 0.259 4.908 4.640 0.015 0.000 0.235 76 D C 1.272 177.632 176.300 0.100 0.000 1.117 76 D CA -0.420 53.626 54.000 0.078 0.000 0.930 76 D CB 0.280 41.088 40.800 0.013 0.000 1.010 76 D HN 0.306 nan 8.370 nan 0.000 0.514 77 M N 1.507 121.146 119.600 0.064 0.000 2.213 77 M HA -0.114 4.375 4.480 0.015 0.000 0.263 77 M C 1.063 177.352 176.300 -0.017 0.000 1.062 77 M CA 1.193 56.526 55.300 0.055 0.000 1.105 77 M CB -0.532 32.064 32.600 -0.008 0.000 1.385 77 M HN 0.347 nan 8.290 nan 0.000 0.417 78 D N -0.261 120.099 120.400 -0.066 0.000 2.178 78 D HA -0.176 4.473 4.640 0.015 0.000 0.201 78 D C 2.100 178.313 176.300 -0.145 0.000 0.980 78 D CA 1.093 55.028 54.000 -0.108 0.000 0.842 78 D CB 0.002 40.749 40.800 -0.089 0.000 0.948 78 D HN 0.287 nan 8.370 nan 0.000 0.472 79 R N -1.048 119.325 120.500 -0.212 0.000 2.148 79 R HA -0.101 4.248 4.340 0.015 0.000 0.223 79 R C 1.029 177.054 176.300 -0.457 0.000 1.088 79 R CA 1.200 57.062 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 0.524 120.798 120.300 -0.043 0.000 2.498 80 Y HA 0.185 4.744 4.550 0.015 0.000 0.259 80 Y C 0.100 175.988 175.900 -0.018 0.000 1.086 80 Y CA -0.253 57.827 58.100 -0.035 0.000 1.287 80 Y CB 0.226 38.665 38.460 -0.035 0.000 1.146 80 Y HN -0.033 nan 8.280 nan 0.000 0.523 81 K N 1.072 121.530 120.400 0.097 0.000 2.326 81 K HA 0.384 4.713 4.320 0.015 0.000 0.275 81 K C 0.600 177.231 176.600 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 33.256 32.500 0.023 0.000 0.953 81 K HN 0.119 nan 8.250 nan 0.000 0.475 82 G N 2.245 111.098 108.800 0.088 0.000 2.491 82 G HA2 0.143 4.112 3.960 0.015 0.000 0.242 82 G HA3 0.143 4.112 3.960 0.015 0.000 0.242 82 G C -0.944 173.905 174.900 -0.085 0.000 1.266 82 G CA -0.724 44.275 45.100 -0.170 0.000 0.844 82 G HN 0.609 nan 8.290 nan 0.000 0.571 83 K N 1.240 121.515 120.400 -0.208 0.000 2.604 83 K HA 0.251 4.580 4.320 0.015 0.000 0.247 83 K C -0.856 175.778 176.600 0.057 0.000 0.956 83 K CA -0.595 55.622 56.287 -0.117 0.000 0.896 83 K CB 1.787 34.041 32.500 -0.409 0.000 1.131 83 K HN 0.443 nan 8.250 nan 0.000 0.440 84 C N 5.029 124.386 119.300 0.095 0.000 2.595 84 C HA 0.158 4.627 4.460 0.015 0.000 0.374 84 C C 1.075 176.201 174.990 0.227 0.000 1.250 84 C CA -0.343 58.767 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 5.017 4.550 0.015 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 38.232 38.460 0.309 0.000 1.143 85 Y HN 0.768 nan 8.280 nan 0.000 0.523 86 H N 0.332 119.360 119.070 -0.070 0.000 3.086 86 H HA 0.538 5.103 4.556 0.015 0.000 0.353 86 H C -1.971 173.543 175.328 0.311 0.000 1.134 86 H CA -0.846 55.268 56.048 0.109 0.000 1.248 86 H CB 1.947 31.681 29.762 -0.047 0.000 1.878 86 H HN 0.136 nan 8.280 nan 0.000 0.527 87 I N 4.107 124.531 120.570 -0.244 0.000 2.582 87 I HA 0.230 4.409 4.170 0.015 0.000 0.292 87 I C -0.877 175.104 176.117 -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 40.402 38.000 0.075 0.000 1.241 87 I HN 0.579 nan 8.210 nan 0.000 0.421 88 E N 6.935 127.188 120.200 0.089 0.000 2.308 88 E HA 0.520 4.879 4.350 0.015 0.000 0.275 88 E C -2.964 173.755 176.600 0.198 0.000 0.890 88 E CA -2.150 54.354 56.400 0.174 0.000 0.754 88 E CB 2.452 32.351 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 0.036 177.229 177.300 -0.177 0.000 1.205 89 P CA -0.364 62.619 63.100 -0.195 0.000 0.771 89 P CB 0.856 32.449 31.700 -0.180 0.000 0.858 90 V N 2.309 121.984 119.914 -0.398 0.000 2.446 90 V HA 0.161 4.290 4.120 0.015 0.000 0.276 90 V C 1.363 177.359 176.094 -0.164 0.000 1.030 90 V CA 0.191 62.310 62.300 -0.303 0.000 1.033 90 V CB -0.503 31.023 31.823 -0.495 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 4.760 4.340 0.015 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 -0.196 28.554 28.738 0.020 0.000 1.133 91 Q HN 2.072 nan 8.270 nan 0.000 0.377 92 G N 1.334 110.099 108.800 -0.059 0.000 2.176 92 G HA2 -0.181 3.788 3.960 0.015 0.000 0.253 92 G HA3 -0.181 3.788 3.960 0.015 0.000 0.253 92 G C 0.007 174.864 174.900 -0.073 0.000 0.979 92 G CA 0.278 45.347 45.100 -0.052 0.000 0.641 92 G HN 0.823 nan 8.290 nan 0.000 0.530 93 E N 0.776 120.905 120.200 -0.117 0.000 2.224 93 E HA 0.409 4.768 4.350 0.015 0.000 0.265 93 E C -0.087 176.400 176.600 -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 30.901 29.700 -0.154 0.000 1.164 93 E HN 0.629 nan 8.360 nan 0.000 0.414 94 E N 2.488 122.601 120.200 -0.145 0.000 2.344 94 E HA 0.080 4.439 4.350 0.015 0.000 0.270 94 E C -0.023 176.465 176.600 -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 -0.083 0.000 0.997 94 E HN 0.494 nan 8.360 nan 0.000 0.429 95 N N 1.163 119.724 118.700 -0.233 0.000 2.740 95 N HA -0.214 4.535 4.740 0.015 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 -0.174 0.000 0.704 95 N CB -1.014 37.459 38.487 -0.024 0.000 0.968 95 N HN 0.481 nan 8.380 nan 0.000 0.547 96 S N 0.188 115.501 115.700 -0.646 0.000 2.557 96 S HA 0.746 5.225 4.470 0.015 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 0.585 63.531 63.200 -0.424 0.000 1.028 96 S HN 0.262 nan 8.310 nan 0.000 0.484 97 Y N 1.951 121.767 120.300 -0.807 0.000 2.581 97 Y HA 0.630 5.189 4.550 0.015 0.000 0.345 97 Y C -0.825 174.628 175.900 -0.745 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 1.399 121.357 119.950 0.012 0.000 2.415 98 F HA 0.704 5.240 4.527 0.015 0.000 0.348 98 F C 0.241 176.127 175.800 0.144 0.000 1.119 98 F CA -1.083 56.939 58.000 0.036 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 4.325 127.360 122.820 0.360 0.000 2.304 99 A HA 0.772 5.101 4.320 0.015 0.000 0.323 99 A C -1.397 176.188 177.584 0.000 0.000 1.195 99 A CA -0.429 51.775 52.037 0.278 0.000 0.826 99 A CB 0.200 19.342 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 0.015 0.000 0.346 100 F C 0.100 175.765 175.800 -0.226 0.000 1.120 100 F CA -0.417 57.564 58.000 -0.031 0.000 1.033 100 F CB 1.542 40.415 39.000 -0.211 0.000 1.126 100 F HN 0.323 nan 8.300 nan 0.000 0.462 101 I N 2.895 123.623 120.570 0.264 0.000 2.498 101 I HA 0.628 4.808 4.170 0.015 0.000 0.290 101 I C -0.527 175.786 176.117 0.327 0.000 1.032 101 I CA -0.998 60.436 61.300 0.224 0.000 1.073 101 I CB 1.966 40.026 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 5.089 4.320 0.015 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 19.523 19.000 0.228 0.000 1.164 102 A HN 0.583 nan 8.150 nan 0.000 0.505 103 Y N 2.248 122.656 120.300 0.178 0.000 2.341 103 Y HA 0.440 5.000 4.550 0.016 0.000 0.338 103 Y C -2.313 173.716 175.900 0.215 0.000 0.965 103 Y CA -2.499 55.726 58.100 0.208 0.000 1.108 103 Y CB 1.622 40.322 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 0.784 178.239 177.300 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 2.834 124.196 121.223 0.233 0.000 2.129 105 L HA -0.203 4.146 4.340 0.015 0.000 0.212 105 L C 1.295 178.303 176.870 0.230 0.000 1.087 105 L CA 2.066 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 -0.769 119.707 120.400 0.127 0.000 2.310 106 D HA -0.110 4.539 4.640 0.015 0.000 0.212 106 D C 2.143 178.446 176.300 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 0.399 nan 8.370 nan 0.000 0.510 107 L N -0.686 120.411 121.223 -0.210 0.000 2.478 107 L HA 0.023 4.372 4.340 0.015 0.000 0.223 107 L C 0.047 176.505 176.870 -0.687 0.000 1.140 107 L CA 0.378 54.897 54.840 -0.535 0.000 0.842 107 L CB -0.135 41.429 42.059 -0.826 0.000 0.953 107 L HN -0.112 nan 8.230 nan 0.000 0.452 108 F N -0.413 119.574 119.950 0.060 0.000 2.495 108 F HA 0.325 4.861 4.527 0.014 0.000 0.327 108 F C 0.592 176.405 175.800 0.021 0.000 1.103 108 F CA -1.369 56.655 58.000 0.041 0.000 0.949 108 F CB 1.054 40.091 39.000 0.061 0.000 1.142 108 F HN -0.187 nan 8.300 nan 0.000 0.457 109 E N 1.861 122.160 120.200 0.164 0.000 2.344 109 E HA 0.115 4.474 4.350 0.015 0.000 0.270 109 E C -0.735 175.879 176.600 0.023 0.000 1.021 109 E CA -0.492 55.948 56.400 0.066 0.000 0.887 109 E CB 0.564 30.284 29.700 0.033 0.000 0.997 109 E HN 0.526 nan 8.360 nan 0.000 0.429 110 E N 2.412 122.589 120.200 -0.039 0.000 2.465 110 E HA 0.163 4.522 4.350 0.015 0.000 0.260 110 E C 0.825 177.209 176.600 -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 2.540 110.817 108.800 -0.871 0.000 2.153 111 G HA2 -0.317 3.652 3.960 0.015 0.000 0.252 111 G HA3 -0.317 3.652 3.960 0.015 0.000 0.252 111 G C 0.262 174.744 174.900 -0.697 0.000 0.994 111 G CA 0.420 44.758 45.100 -1.270 0.000 0.698 111 G HN 0.517 nan 8.290 nan 0.000 0.521 112 S N -0.604 114.897 115.700 -0.332 0.000 2.667 112 S HA 0.531 5.010 4.470 0.015 0.000 0.304 112 S C 1.412 176.138 174.600 0.209 0.000 1.135 112 S CA 0.082 58.302 58.200 0.034 0.000 1.125 112 S CB 1.332 64.545 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 0.015 0.000 0.248 113 V C 2.521 178.533 176.094 -0.136 0.000 1.051 113 V CA 2.341 64.602 62.300 -0.064 0.000 1.048 113 V CB -0.932 30.615 31.823 -0.461 0.000 0.666 113 V HN 0.831 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 4.099 4.350 0.015 0.000 0.268 114 T C 1.914 176.643 174.700 0.048 0.000 1.035 114 T CA 1.989 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 0.571 nan 8.240 nan 0.000 0.438 115 N N 0.715 119.459 118.700 0.075 0.000 2.142 115 N HA -0.055 4.694 4.740 0.015 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 3.886 4.170 0.015 0.000 0.243 116 I C 2.321 178.468 176.117 0.050 0.000 1.085 116 I CA 0.987 62.364 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 -0.112 121.112 121.223 0.002 0.000 2.093 117 L HA -0.185 4.164 4.340 0.015 0.000 0.208 117 L C 2.621 179.514 176.870 0.037 0.000 1.085 117 L CA 1.431 56.268 54.840 -0.005 0.000 0.755 117 L CB -0.904 41.135 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 0.015 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 0.264 nan 8.240 nan 0.000 0.455 119 S N 0.811 116.560 115.700 0.081 0.000 2.335 119 S HA 0.033 4.512 4.470 0.015 0.000 0.217 119 S C 2.061 176.706 174.600 0.074 0.000 1.032 119 S CA 0.631 58.874 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 0.302 nan 8.310 nan 0.000 0.445 120 I N 1.679 122.277 120.570 0.047 0.000 2.315 120 I HA -0.037 4.142 4.170 0.015 0.000 0.248 120 I C 1.890 178.189 176.117 0.302 0.000 1.117 120 I CA 1.267 62.624 61.300 0.095 0.000 1.404 120 I CB -1.259 36.715 38.000 -0.045 0.000 1.071 120 I HN 0.298 nan 8.210 nan 0.000 0.419 121 V N -2.762 117.284 119.914 0.219 0.000 3.159 121 V HA 0.543 4.673 4.120 0.015 0.000 0.333 121 V C 1.683 177.871 176.094 0.158 0.000 1.424 121 V CA 0.346 62.812 62.300 0.277 0.000 1.125 121 V CB -0.318 31.512 31.823 0.011 0.000 1.075 121 V HN 0.186 nan 8.190 nan 0.000 0.482 122 G N 1.772 110.656 108.800 0.141 0.000 2.434 122 G HA2 -0.149 3.820 3.960 0.015 0.000 0.214 122 G HA3 -0.149 3.820 3.960 0.015 0.000 0.214 122 G C 1.177 176.156 174.900 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 -0.609 118.186 118.700 0.158 0.000 2.297 123 N HA 0.015 4.764 4.740 0.015 0.000 0.208 123 N C 2.176 177.828 175.510 0.237 0.000 1.176 123 N CA 0.828 53.986 53.050 0.181 0.000 0.882 123 N CB 0.565 39.150 38.487 0.163 0.000 1.134 123 N HN 0.278 nan 8.380 nan 0.000 0.489 124 V N -1.478 118.538 119.914 0.171 0.000 2.809 124 V HA 0.038 4.167 4.120 0.015 0.000 0.256 124 V C 1.617 177.731 176.094 0.035 0.000 1.080 124 V CA 1.096 63.384 62.300 -0.020 0.000 1.102 124 V CB -1.106 30.523 31.823 -0.324 0.000 0.705 124 V HN -0.091 nan 8.190 nan 0.000 0.475 125 F N 2.547 122.535 119.950 0.063 0.000 2.502 125 F HA 0.293 4.830 4.527 0.016 0.000 0.298 125 F C 2.299 178.222 175.800 0.204 0.000 1.111 125 F CA 1.186 59.258 58.000 0.119 0.000 1.445 125 F CB -0.543 38.517 39.000 0.100 0.000 1.081 125 F HN 0.344 nan 8.300 nan 0.000 0.558 126 G N -1.834 107.162 108.800 0.328 0.000 3.159 126 G HA2 0.014 3.983 3.960 0.015 0.000 0.232 126 G HA3 0.014 3.983 3.960 0.015 0.000 0.232 126 G C 0.079 175.074 174.900 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 1.789 121.746 119.950 0.012 0.000 2.602 127 F HA 0.179 4.715 4.527 0.015 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 4.120 4.320 0.015 0.000 0.208 128 K C 1.934 178.543 176.600 0.015 0.000 1.047 128 K CA 1.469 57.711 56.287 -0.073 0.000 0.928 128 K CB -0.166 32.251 32.500 -0.138 0.000 0.716 128 K HN 0.720 nan 8.250 nan 0.000 0.446 129 A N 0.709 123.576 122.820 0.077 0.000 2.209 129 A HA -0.001 4.328 4.320 0.015 0.000 0.212 129 A C 0.628 178.270 177.584 0.098 0.000 1.158 129 A CA 0.598 52.699 52.037 0.107 0.000 0.742 129 A CB -0.009 19.095 19.000 0.174 0.000 0.790 129 A HN 0.057 nan 8.150 nan 0.000 0.472 130 I N -0.552 120.084 120.570 0.109 0.000 2.433 130 I HA 0.315 4.494 4.170 0.015 0.000 0.292 130 I C 0.929 177.104 176.117 0.098 0.000 1.001 130 I CA -0.384 60.968 61.300 0.088 0.000 1.119 130 I CB 1.504 39.521 38.000 0.028 0.000 1.289 130 I HN 0.246 nan 8.210 nan 0.000 0.438 131 R N 2.887 123.450 120.500 0.104 0.000 2.075 131 R HA 0.046 4.395 4.340 0.015 0.000 0.226 131 R C 0.252 176.624 176.300 0.120 0.000 1.114 131 R CA 0.823 56.975 56.100 0.088 0.000 0.972 131 R CB 0.138 30.483 30.300 0.074 0.000 0.869 131 R HN 0.779 nan 8.270 nan 0.000 0.437 132 S N -0.373 115.431 115.700 0.172 0.000 2.550 132 S HA 0.562 5.041 4.470 0.015 0.000 0.270 132 S C -1.395 173.341 174.600 0.228 0.000 1.145 132 S CA -1.078 57.308 58.200 0.309 0.000 0.852 132 S CB 2.221 65.566 63.200 0.243 0.000 1.119 132 S HN 0.041 nan 8.310 nan 0.000 0.465 133 L N 1.379 122.708 121.223 0.177 0.000 2.493 133 L HA 0.843 5.192 4.340 0.015 0.000 0.265 133 L C -1.075 175.705 176.870 -0.149 0.000 0.954 133 L CA -0.375 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 4.141 124.682 120.500 0.069 0.000 2.514 134 R HA 0.652 5.001 4.340 0.015 0.000 0.296 134 R C -1.978 174.451 176.300 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 4.138 125.513 121.223 0.254 0.000 2.369 135 L HA 0.308 4.657 4.340 0.015 0.000 0.279 135 L C 0.349 177.162 176.870 -0.095 0.000 1.108 135 L CA 0.652 55.441 54.840 -0.085 0.000 0.852 135 L CB 1.041 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 2.310 122.344 120.200 -0.276 0.000 2.166 136 E HA 0.122 4.481 4.350 0.015 0.000 0.192 136 E C -0.272 176.154 176.600 -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 0.686 nan 8.360 nan 0.000 0.470 137 D N -1.002 119.203 120.400 -0.324 0.000 2.663 137 D HA 0.384 5.033 4.640 0.015 0.000 0.233 137 D C -1.432 174.870 176.300 0.003 0.000 1.240 137 D CA -0.478 53.474 54.000 -0.080 0.000 0.774 137 D CB 1.622 42.415 40.800 -0.013 0.000 1.443 137 D HN -0.164 nan 8.370 nan 0.000 0.441 138 I N 1.616 122.162 120.570 -0.040 0.000 2.499 138 I HA 0.352 4.532 4.170 0.015 0.000 0.288 138 I C -0.005 175.854 176.117 -0.431 0.000 1.048 138 I CA -0.834 60.247 61.300 -0.364 0.000 1.062 138 I CB 2.206 39.736 38.000 -0.783 0.000 1.238 138 I HN 0.097 nan 8.210 nan 0.000 0.426 139 R N 6.161 126.266 120.500 -0.658 0.000 2.210 139 R HA 0.366 4.715 4.340 0.015 0.000 0.338 139 R C -1.421 174.536 176.300 -0.572 0.000 1.062 139 R CA -0.419 55.358 56.100 -0.538 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 7.091 126.833 119.950 -0.347 0.000 2.444 140 F HA 0.261 4.797 4.527 0.016 0.000 0.360 140 F C -1.365 174.259 175.800 -0.294 0.000 1.106 140 F CA -2.073 55.720 58.000 -0.345 0.000 1.170 140 F CB 0.786 39.532 39.000 -0.424 0.000 1.113 140 F HN 0.409 nan 8.300 nan 0.000 0.521 141 P HA -0.008 nan 4.420 nan 0.000 0.269 141 P C 0.888 178.178 177.300 -0.018 0.000 1.209 141 P CA -0.021 63.052 63.100 -0.045 0.000 0.776 141 P CB 1.377 33.069 31.700 -0.012 0.000 0.876 142 V N 2.641 122.540 119.914 -0.025 0.000 2.469 142 V HA -0.274 3.855 4.120 0.015 0.000 0.251 142 V C 2.580 178.695 176.094 0.035 0.000 1.064 142 V CA 2.738 65.035 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 -0.697 122.147 122.820 0.039 0.000 2.015 143 A HA -0.140 4.189 4.320 0.015 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 -0.651 120.634 121.223 0.103 0.000 2.162 144 L HA 0.040 4.389 4.340 0.015 0.000 0.205 144 L C 2.310 179.337 176.870 0.262 0.000 1.086 144 L CA 1.309 56.251 54.840 0.170 0.000 0.778 144 L CB -0.325 41.844 42.059 0.183 0.000 0.928 144 L HN 0.117 nan 8.230 nan 0.000 0.446 145 V N 0.001 120.013 119.914 0.162 0.000 2.392 145 V HA -0.287 3.842 4.120 0.015 0.000 0.249 145 V C 2.444 178.679 176.094 0.236 0.000 1.059 145 V CA 1.606 63.995 62.300 0.148 0.000 1.051 145 V CB -0.769 31.060 31.823 0.010 0.000 0.658 145 V HN 0.411 nan 8.190 nan 0.000 0.455 146 K N 0.337 120.831 120.400 0.157 0.000 2.504 146 K HA -0.065 4.264 4.320 0.015 0.000 0.195 146 K C 2.019 178.676 176.600 0.095 0.000 1.036 146 K CA 1.456 57.814 56.287 0.119 0.000 0.984 146 K CB -0.294 32.251 32.500 0.076 0.000 0.788 146 K HN 0.737 nan 8.250 nan 0.000 0.488 147 T N -1.888 112.719 114.554 0.088 0.000 3.100 147 T HA 0.086 4.446 4.350 0.015 0.000 0.253 147 T C 0.512 175.094 174.700 -0.197 0.000 1.118 147 T CA -0.102 61.952 62.100 -0.077 0.000 1.058 147 T CB -0.182 68.580 68.868 -0.176 0.000 0.953 147 T HN -0.162 nan 8.240 nan 0.000 0.515 148 F N 1.271 121.217 119.950 -0.006 0.000 2.432 148 F HA 0.483 5.020 4.527 0.016 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 0.015 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 28.655 28.738 0.038 0.000 0.896 149 Q HN 1.000 nan 8.270 nan 0.000 0.434 150 G N 0.351 109.196 108.800 0.074 0.000 2.632 150 G HA2 -0.240 3.729 3.960 0.015 0.000 0.224 150 G HA3 -0.240 3.729 3.960 0.015 0.000 0.224 150 G C -2.512 172.355 174.900 -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 0.183 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 -0.276 62.758 63.100 -0.108 0.000 0.761 151 P CB 0.393 32.029 31.700 -0.106 0.000 0.795 152 P HA -0.190 nan 4.420 nan 0.000 0.216 152 P C 0.763 177.596 177.300 -0.777 0.000 1.150 152 P CA 1.924 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 -3.745 115.304 119.070 -0.035 0.000 1.955 153 H HA 0.345 4.910 4.556 0.014 0.000 0.196 153 H C 1.219 176.537 175.328 -0.017 0.000 0.891 153 H CA 0.936 56.971 56.048 -0.022 0.000 1.001 153 H CB 0.055 29.806 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 -0.209 3.760 3.960 0.015 0.000 0.678 154 G HA3 -0.209 3.760 3.960 0.015 0.000 0.678 154 G C 0.819 175.762 174.900 0.071 0.000 1.349 154 G CA -0.051 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 0.518 121.114 120.570 0.044 0.000 2.091 155 I HA -0.299 3.880 4.170 0.015 0.000 0.239 155 I C 3.041 179.203 176.117 0.075 0.000 1.061 155 I CA 2.823 64.158 61.300 0.058 0.000 1.317 155 I CB -0.409 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 0.650 120.494 119.800 0.073 0.000 2.119 156 Q HA -0.109 4.240 4.340 0.015 0.000 0.201 156 Q C 2.033 178.094 176.000 0.102 0.000 0.972 156 Q CA 1.589 57.449 55.803 0.094 0.000 0.847 156 Q CB -0.679 28.108 28.738 0.082 0.000 0.903 156 Q HN 0.308 nan 8.270 nan 0.000 0.433 157 V N 1.386 121.355 119.914 0.093 0.000 2.427 157 V HA -0.241 3.888 4.120 0.015 0.000 0.248 157 V C 2.360 178.497 176.094 0.072 0.000 1.051 157 V CA 2.076 64.435 62.300 0.097 0.000 1.048 157 V CB -0.644 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 0.435 120.681 120.200 0.077 0.000 2.051 158 E HA -0.229 4.130 4.350 0.015 0.000 0.192 158 E C 2.461 179.073 176.600 0.020 0.000 0.991 158 E CA 1.239 57.669 56.400 0.049 0.000 0.799 158 E CB -0.058 29.705 29.700 0.106 0.000 0.748 158 E HN 0.525 nan 8.360 nan 0.000 0.449 159 R N 0.506 121.015 120.500 0.015 0.000 2.091 159 R HA -0.135 4.214 4.340 0.015 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 29.971 30.300 -0.017 0.000 0.856 159 R HN 0.289 nan 8.270 nan 0.000 0.437 160 D N 0.932 121.337 120.400 0.008 0.000 2.144 160 D HA -0.089 4.560 4.640 0.015 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 -0.126 40.760 40.800 0.143 0.000 0.961 160 D HN 0.173 nan 8.370 nan 0.000 0.470 161 L N 0.016 121.230 121.223 -0.015 0.000 2.093 161 L HA -0.063 4.286 4.340 0.015 0.000 0.208 161 L C 2.159 179.003 176.870 -0.042 0.000 1.085 161 L CA 0.695 55.517 54.840 -0.030 0.000 0.755 161 L CB -0.093 41.927 42.059 -0.065 0.000 0.904 161 L HN 0.013 nan 8.230 nan 0.000 0.435 162 L N -1.311 119.869 121.223 -0.072 0.000 2.585 162 L HA 0.124 4.473 4.340 0.015 0.000 0.226 162 L C 0.336 177.115 176.870 -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 1.278 119.832 118.700 -0.244 0.000 2.735 163 N HA -0.165 4.584 4.740 0.015 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 -0.307 0.000 0.703 163 N CB -0.737 37.704 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 4.753 4.320 0.015 0.000 0.257 164 K C -1.092 175.220 176.600 -0.482 0.000 0.989 164 K CA -0.175 55.871 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 -0.006 120.301 120.300 0.011 0.000 2.512 165 Y HA 0.515 5.074 4.550 0.015 0.000 0.348 165 Y C 1.233 177.142 175.900 0.015 0.000 0.990 165 Y CA -0.895 57.215 58.100 0.017 0.000 1.033 165 Y CB 2.613 41.083 38.460 0.015 0.000 1.259 165 Y HN 0.603 nan 8.280 nan 0.000 0.461 166 G N 1.291 110.205 108.800 0.190 0.000 2.176 166 G HA2 -0.116 3.853 3.960 0.015 0.000 0.232 166 G HA3 -0.116 3.853 3.960 0.015 0.000 0.232 166 G C -0.183 174.766 174.900 0.082 0.000 0.986 166 G CA 0.058 45.227 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 4.887 4.340 0.015 0.000 0.276 167 R C -3.504 172.828 176.300 0.055 0.000 1.028 167 R CA -1.361 54.775 56.100 0.062 0.000 0.865 167 R CB -0.251 30.080 30.300 0.051 0.000 1.268 167 R HN 0.003 nan 8.270 nan 0.000 0.475 168 P HA 0.135 nan 4.420 nan 0.000 0.267 168 P C -0.237 177.086 177.300 0.039 0.000 1.200 168 P CA 0.158 63.290 63.100 0.053 0.000 0.772 168 P CB 0.380 32.123 31.700 0.071 0.000 0.855 169 M N 1.713 121.337 119.600 0.039 0.000 2.291 169 M HA 0.344 4.834 4.480 0.015 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 0.519 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 0.791 122.049 121.223 0.058 0.000 2.362 170 L HA 0.795 5.144 4.340 0.015 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 1.908 44.017 42.059 0.082 0.000 1.270 170 L HN 0.838 nan 8.230 nan 0.000 0.415 171 G N 0.551 109.445 108.800 0.157 0.000 3.105 171 G HA2 0.651 4.620 3.960 0.015 0.000 0.277 171 G HA3 0.651 4.620 3.960 0.015 0.000 0.277 171 G C -1.848 173.081 174.900 0.048 0.000 1.375 171 G CA -0.535 44.624 45.100 0.099 0.000 0.962 171 G HN 0.691 nan 8.290 nan 0.000 0.541 172 C N -0.053 119.220 119.300 -0.045 0.000 3.135 172 C HA 0.600 5.069 4.460 0.015 0.000 0.428 172 C C -0.359 174.587 174.990 -0.073 0.000 0.972 172 C CA -0.502 58.504 59.018 -0.020 0.000 1.218 172 C CB 0.339 28.085 27.740 0.010 0.000 1.595 172 C HN 0.868 nan 8.230 nan 0.000 0.576 173 T N 7.179 121.715 114.554 -0.030 0.000 2.780 173 T HA 0.406 4.765 4.350 0.015 0.000 0.294 173 T C 0.542 175.237 174.700 -0.008 0.000 0.949 173 T CA -0.311 61.784 62.100 -0.008 0.000 1.074 173 T CB 0.400 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 3.844 124.396 120.570 -0.030 0.000 2.648 174 I HA 0.209 4.388 4.170 0.015 0.000 0.284 174 I C 0.692 176.804 176.117 -0.008 0.000 1.153 174 I CA 0.081 61.316 61.300 -0.108 0.000 1.426 174 I CB -0.085 37.648 38.000 -0.446 0.000 1.381 174 I HN 0.467 nan 8.210 nan 0.000 0.571 175 K N 6.330 126.723 120.400 -0.011 0.000 2.443 175 K HA 0.564 4.893 4.320 0.015 0.000 0.251 175 K C -2.430 174.187 176.600 0.029 0.000 0.972 175 K CA -1.638 54.670 56.287 0.035 0.000 0.833 175 K CB 1.497 34.019 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 0.257 177.597 177.300 0.065 0.000 1.217 176 P CA -0.093 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 0.237 120.670 120.400 0.055 0.000 2.044 177 K HA -0.080 4.249 4.320 0.015 0.000 0.210 177 K C 0.730 177.386 176.600 0.094 0.000 1.049 177 K CA 1.283 57.620 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 -2.138 119.071 121.223 -0.024 0.000 2.371 178 L HA 0.431 4.780 4.340 0.015 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 0.406 nan 8.230 nan 0.000 0.415 179 G N 1.294 109.399 108.800 -1.157 0.000 2.380 179 G HA2 -0.148 3.821 3.960 0.015 0.000 0.197 179 G HA3 -0.148 3.821 3.960 0.015 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 -0.792 0.000 0.668 179 G HN 0.305 nan 8.290 nan 0.000 0.483 180 L N 2.824 124.003 121.223 -0.074 0.000 2.371 180 L HA 0.543 4.892 4.340 0.015 0.000 0.272 180 L C 1.535 178.552 176.870 0.246 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 1.980 117.776 115.700 0.161 0.000 2.608 181 S HA 0.248 4.727 4.470 0.015 0.000 0.261 181 S C 1.148 175.791 174.600 0.070 0.000 1.314 181 S CA -0.096 58.171 58.200 0.111 0.000 0.992 181 S CB 1.401 64.613 63.200 0.020 0.000 0.935 181 S HN 0.700 nan 8.310 nan 0.000 0.564 182 A N 1.327 124.134 122.820 -0.023 0.000 1.908 182 A HA -0.105 4.225 4.320 0.015 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 -1.100 17.926 19.000 0.044 0.000 0.818 182 A HN 0.940 nan 8.150 nan 0.000 0.445 183 K N 0.164 120.168 120.400 -0.660 0.000 2.057 183 K HA -0.113 4.216 4.320 0.015 0.000 0.206 183 K C 1.595 178.057 176.600 -0.230 0.000 1.050 183 K CA 1.856 57.670 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 0.396 nan 8.250 nan 0.000 0.439 184 N N -0.530 118.112 118.700 -0.096 0.000 2.331 184 N HA -0.123 4.626 4.740 0.015 0.000 0.180 184 N C 1.379 176.931 175.510 0.071 0.000 1.019 184 N CA 0.823 53.877 53.050 0.005 0.000 0.881 184 N CB -0.262 38.242 38.487 0.029 0.000 0.972 184 N HN 0.245 nan 8.380 nan 0.000 0.435 185 Y N 1.149 121.439 120.300 -0.016 0.000 2.133 185 Y HA -0.061 4.499 4.550 0.016 0.000 0.287 185 Y C 2.417 178.333 175.900 0.026 0.000 1.134 185 Y CA 1.790 59.910 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 -0.271 3.698 3.960 0.015 0.000 0.219 186 G HA3 -0.271 3.698 3.960 0.015 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 0.494 121.044 120.500 0.084 0.000 2.080 187 R HA -0.046 4.303 4.340 0.015 0.000 0.236 187 R C 2.878 179.229 176.300 0.084 0.000 1.137 187 R CA 1.601 57.767 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 0.181 123.002 122.820 0.001 0.000 1.933 188 A HA -0.105 4.224 4.320 0.015 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 -0.494 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 -1.202 118.681 119.914 -0.052 0.000 2.295 189 V HA -0.272 3.857 4.120 0.015 0.000 0.246 189 V C 2.370 178.484 176.094 0.033 0.000 1.049 189 V CA 2.124 64.417 62.300 -0.012 0.000 1.024 189 V CB -1.045 30.760 31.823 -0.030 0.000 0.648 189 V HN 0.742 nan 8.190 nan 0.000 0.447 190 Y N 1.553 121.843 120.300 -0.017 0.000 2.128 190 Y HA -0.233 4.326 4.550 0.015 0.000 0.284 190 Y C 2.550 178.448 175.900 -0.003 0.000 1.154 190 Y CA 1.978 60.077 58.100 -0.002 0.000 1.149 190 Y CB -0.394 38.072 38.460 0.011 0.000 0.976 190 Y HN 0.278 nan 8.280 nan 0.000 0.505 191 E N -0.533 119.447 120.200 -0.367 0.000 2.106 191 E HA -0.189 4.170 4.350 0.015 0.000 0.192 191 E C 2.495 178.934 176.600 -0.268 0.000 0.984 191 E CA 1.303 57.452 56.400 -0.419 0.000 0.806 191 E CB -0.864 28.727 29.700 -0.181 0.000 0.750 191 E HN 0.550 nan 8.360 nan 0.000 0.458 192 C N 0.670 119.874 119.300 -0.160 0.000 2.462 192 C HA -0.066 4.403 4.460 0.015 0.000 0.278 192 C C 2.863 177.784 174.990 -0.114 0.000 1.253 192 C CA 0.375 59.327 59.018 -0.110 0.000 1.713 192 C CB -1.110 26.592 27.740 -0.063 0.000 2.049 192 C HN 0.360 nan 8.230 nan 0.000 0.477 193 L N 1.190 122.352 121.223 -0.101 0.000 2.093 193 L HA -0.142 4.207 4.340 0.015 0.000 0.208 193 L C 2.904 179.714 176.870 -0.099 0.000 1.085 193 L CA 1.690 56.487 54.840 -0.072 0.000 0.755 193 L CB -0.738 41.316 42.059 -0.009 0.000 0.904 193 L HN 0.482 nan 8.230 nan 0.000 0.435 194 R N 0.468 120.857 120.500 -0.185 0.000 2.193 194 R HA -0.078 4.271 4.340 0.015 0.000 0.229 194 R C 1.877 178.098 176.300 -0.131 0.000 1.110 194 R CA 1.352 57.347 56.100 -0.174 0.000 0.988 194 R CB -0.699 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 -0.703 108.011 108.800 -0.143 0.000 2.880 195 G HA2 0.260 4.229 3.960 0.015 0.000 0.209 195 G HA3 0.260 4.229 3.960 0.015 0.000 0.209 195 G C 0.898 175.745 174.900 -0.088 0.000 1.157 195 G CA 0.255 45.287 45.100 -0.114 0.000 0.779 195 G HN 0.590 nan 8.290 nan 0.000 0.539 196 G N -0.763 107.988 108.800 -0.081 0.000 2.273 196 G HA2 -0.172 3.797 3.960 0.015 0.000 0.162 196 G HA3 -0.172 3.797 3.960 0.015 0.000 0.162 196 G C 0.273 175.127 174.900 -0.076 0.000 1.006 196 G CA -0.333 44.725 45.100 -0.069 0.000 0.704 196 G HN 0.321 nan 8.290 nan 0.000 0.487 197 L N 1.396 122.572 121.223 -0.078 0.000 2.417 197 L HA 0.339 4.688 4.340 0.015 0.000 0.268 197 L C 1.126 177.919 176.870 -0.127 0.000 1.158 197 L CA -0.603 54.193 54.840 -0.073 0.000 0.819 197 L CB 0.592 42.626 42.059 -0.041 0.000 1.112 197 L HN 0.017 nan 8.230 nan 0.000 0.458 198 D N 1.535 121.809 120.400 -0.210 0.000 2.162 198 D HA 0.015 4.664 4.640 0.015 0.000 0.203 198 D C -0.112 175.864 176.300 -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 40.612 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 -0.064 0.000 2.588 199 F HA 0.307 4.843 4.527 0.015 0.000 0.314 199 F C 0.619 176.270 175.800 -0.249 0.000 1.069 199 F CA -1.053 56.844 58.000 -0.172 0.000 0.931 199 F CB 1.781 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 -1.112 113.386 114.554 -0.094 0.000 2.927 200 T HA 0.846 5.206 4.350 0.015 0.000 0.286 200 T C -1.089 173.158 174.700 -0.755 0.000 1.040 200 T CA -1.027 60.938 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 -0.201 119.795 120.400 -0.673 0.000 2.546 201 K HA 0.464 4.793 4.320 0.015 0.000 0.264 201 K C -1.841 174.630 176.600 -0.216 0.000 0.937 201 K CA -0.897 54.923 56.287 -0.778 0.000 0.833 201 K CB 1.505 33.683 32.500 -0.537 0.000 1.378 201 K HN 0.385 nan 8.250 nan 0.000 0.432 202 D N 1.770 122.164 120.400 -0.009 0.000 2.423 202 D HA 0.023 4.672 4.640 0.015 0.000 0.238 202 D C -0.277 176.137 176.300 0.190 0.000 1.142 202 D CA 0.489 54.675 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 1.063 121.597 120.400 0.223 0.000 2.382 203 D HA -0.075 4.574 4.640 0.015 0.000 0.240 203 D C 1.538 177.839 176.300 0.001 0.000 1.146 203 D CA -0.135 53.929 54.000 0.107 0.000 0.897 203 D CB 0.817 41.693 40.800 0.127 0.000 1.197 203 D HN 0.412 nan 8.370 nan 0.000 0.432 204 E N 2.292 122.374 120.200 -0.196 0.000 2.160 204 E HA -0.251 4.108 4.350 0.015 0.000 0.195 204 E C 0.670 177.175 176.600 -0.159 0.000 0.991 204 E CA 1.175 57.346 56.400 -0.382 0.000 0.810 204 E CB -0.311 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 4.770 4.740 0.015 0.000 0.198 205 N C 0.268 175.813 175.510 0.059 0.000 1.117 205 N CA -0.168 52.879 53.050 -0.005 0.000 0.845 205 N CB 0.065 38.560 38.487 0.013 0.000 0.980 205 N HN 0.075 nan 8.380 nan 0.000 0.486 206 I N 1.930 122.548 120.570 0.080 0.000 2.347 206 I HA 0.136 4.315 4.170 0.015 0.000 0.294 206 I C 0.252 176.420 176.117 0.085 0.000 1.090 206 I CA 0.142 61.508 61.300 0.109 0.000 1.314 206 I CB -0.324 37.748 38.000 0.120 0.000 1.423 206 I HN 0.198 nan 8.210 nan 0.000 0.503 207 N N 3.363 122.098 118.700 0.058 0.000 3.189 207 N HA 0.143 4.892 4.740 0.015 0.000 0.204 207 N C -0.209 175.338 175.510 0.062 0.000 1.231 207 N CA -0.267 52.814 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 0.397 nan 8.380 nan 0.000 0.540 208 S N 0.226 115.930 115.700 0.007 0.000 2.649 208 S HA 0.433 4.912 4.470 0.015 0.000 0.274 208 S C -1.894 172.632 174.600 -0.123 0.000 1.176 208 S CA -0.411 57.791 58.200 0.004 0.000 0.988 208 S CB 1.244 64.549 63.200 0.175 0.000 1.071 208 S HN 0.253 nan 8.310 nan 0.000 0.478 209 Q N 3.250 122.861 119.800 -0.316 0.000 2.553 209 Q HA 0.490 4.839 4.340 0.015 0.000 0.293 209 Q C -2.114 173.592 176.000 -0.490 0.000 1.038 209 Q CA -1.792 53.749 55.803 -0.437 0.000 0.777 209 Q CB 1.737 30.050 28.738 -0.708 0.000 1.487 209 Q HN 0.273 nan 8.270 nan 0.000 0.426 210 P HA -0.173 nan 4.420 nan 0.000 0.216 210 P C 0.575 177.785 177.300 -0.151 0.000 1.150 210 P CA 1.386 64.392 63.100 -0.156 0.000 0.843 210 P CB 0.053 31.741 31.700 -0.021 0.000 0.787 211 F N -1.582 118.367 119.950 -0.002 0.000 2.558 211 F HA 0.173 4.710 4.527 0.017 0.000 0.298 211 F C 0.790 176.582 175.800 -0.014 0.000 1.119 211 F CA 0.156 58.154 58.000 -0.004 0.000 1.451 211 F CB -0.639 38.363 39.000 0.004 0.000 1.091 211 F HN -0.122 nan 8.300 nan 0.000 0.563 212 Q N 1.177 120.673 119.800 -0.508 0.000 2.605 212 Q HA 0.258 4.607 4.340 0.015 0.000 0.228 212 Q C -1.283 174.535 176.000 -0.304 0.000 0.805 212 Q CA -0.630 55.013 55.803 -0.267 0.000 0.894 212 Q CB 0.997 29.687 28.738 -0.079 0.000 1.469 212 Q HN 0.095 nan 8.270 nan 0.000 0.445 213 R N 2.397 122.781 120.500 -0.194 0.000 2.539 213 R HA 0.174 4.523 4.340 0.015 0.000 0.275 213 R C 1.181 177.384 176.300 -0.161 0.000 1.077 213 R CA -0.087 55.906 56.100 -0.179 0.000 1.097 213 R CB 0.191 30.361 30.300 -0.217 0.000 1.018 213 R HN 0.730 nan 8.270 nan 0.000 0.483 214 W N 4.229 125.429 121.300 -0.167 0.000 2.388 214 W HA -0.134 4.533 4.660 0.012 0.000 0.294 214 W C 1.108 177.481 176.519 -0.244 0.000 1.212 214 W CA 0.976 58.210 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 1.339 120.980 120.500 -1.431 0.000 2.115 215 R HA -0.129 4.220 4.340 0.015 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 -1.376 0.000 0.980 215 R CB -0.519 28.676 30.300 -1.842 0.000 0.875 215 R HN -0.112 nan 8.270 nan 0.000 0.445 216 D N 0.347 120.595 120.400 -0.253 0.000 2.097 216 D HA -0.192 4.457 4.640 0.015 0.000 0.197 216 D C 1.793 178.271 176.300 0.297 0.000 0.984 216 D CA 1.062 55.098 54.000 0.061 0.000 0.826 216 D CB -0.313 40.545 40.800 0.096 0.000 0.973 216 D HN 0.277 nan 8.370 nan 0.000 0.460 217 R N 0.030 120.678 120.500 0.246 0.000 2.083 217 R HA -0.160 4.189 4.340 0.015 0.000 0.237 217 R C 2.232 178.798 176.300 0.443 0.000 1.137 217 R CA 1.046 57.345 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 0.063 nan 8.270 nan 0.000 0.434 218 F N 1.198 121.271 119.950 0.205 0.000 2.126 218 F HA -0.199 4.337 4.527 0.015 0.000 0.299 218 F C 2.365 178.229 175.800 0.107 0.000 1.096 218 F CA 0.847 58.975 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 0.068 nan 8.300 nan 0.000 0.479 219 L N -1.526 119.892 121.223 0.325 0.000 1.994 219 L HA -0.259 4.090 4.340 0.015 0.000 0.208 219 L C 2.468 179.295 176.870 -0.072 0.000 1.071 219 L CA 1.884 56.763 54.840 0.066 0.000 0.745 219 L CB -0.662 41.346 42.059 -0.085 0.000 0.892 219 L HN 0.068 nan 8.230 nan 0.000 0.431 220 F N -0.987 119.010 119.950 0.077 0.000 2.186 220 F HA -0.155 4.381 4.527 0.016 0.000 0.299 220 F C 2.409 178.209 175.800 -0.000 0.000 1.090 220 F CA 0.872 58.896 58.000 0.040 0.000 1.307 220 F CB -0.674 38.363 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 3.844 4.120 0.015 0.000 0.248 221 V C 2.541 178.571 176.094 -0.108 0.000 1.051 221 V CA 1.677 63.959 62.300 -0.030 0.000 1.048 221 V CB -1.188 30.517 31.823 -0.195 0.000 0.666 221 V HN 0.348 nan 8.190 nan 0.000 0.456 222 A N -0.134 122.606 122.820 -0.132 0.000 1.933 222 A HA -0.306 4.023 4.320 0.015 0.000 0.218 222 A C 2.020 179.319 177.584 -0.474 0.000 1.175 222 A CA 2.221 54.072 52.037 -0.311 0.000 0.628 222 A CB -0.667 18.186 19.000 -0.245 0.000 0.814 222 A HN 0.600 nan 8.150 nan 0.000 0.444 223 D N -0.461 119.816 120.400 -0.205 0.000 2.117 223 D HA -0.017 4.632 4.640 0.015 0.000 0.197 223 D C 2.067 178.325 176.300 -0.070 0.000 0.987 223 D CA 1.460 55.401 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 0.015 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 -1.239 119.306 120.570 -0.041 0.000 2.252 225 I HA -0.258 3.922 4.170 0.015 0.000 0.245 225 I C 2.367 178.519 176.117 0.059 0.000 1.102 225 I CA 1.496 62.789 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 0.134 119.228 119.070 0.040 0.000 2.357 226 H HA -0.175 4.390 4.556 0.014 0.000 0.301 226 H C 2.277 177.622 175.328 0.029 0.000 1.082 226 H CA 1.167 57.229 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 0.186 nan 8.280 nan 0.000 0.511 227 K N 0.929 121.412 120.400 0.137 0.000 2.057 227 K HA -0.137 4.192 4.320 0.015 0.000 0.206 227 K C 2.454 179.162 176.600 0.180 0.000 1.050 227 K CA 1.527 57.855 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 0.181 116.042 115.700 0.269 0.000 2.406 228 S HA -0.195 4.285 4.470 0.015 0.000 0.228 228 S C 2.079 176.756 174.600 0.128 0.000 1.020 228 S CA 1.004 59.355 58.200 0.253 0.000 0.965 228 S CB -0.230 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 1.339 121.206 119.800 0.112 0.000 2.119 229 Q HA 0.051 4.400 4.340 0.015 0.000 0.201 229 Q C 2.220 178.259 176.000 0.065 0.000 0.972 229 Q CA 1.212 57.060 55.803 0.075 0.000 0.847 229 Q CB -0.538 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 0.645 123.511 122.820 0.078 0.000 1.930 230 A HA -0.187 4.142 4.320 0.015 0.000 0.217 230 A C 1.731 179.347 177.584 0.054 0.000 1.175 230 A CA 1.520 53.589 52.037 0.055 0.000 0.627 230 A CB -0.370 18.661 19.000 0.051 0.000 0.815 230 A HN 0.506 nan 8.150 nan 0.000 0.443 231 E N -0.899 119.348 120.200 0.077 0.000 2.158 231 E HA -0.096 4.263 4.350 0.015 0.000 0.191 231 E C 2.060 178.688 176.600 0.046 0.000 0.982 231 E CA 1.478 57.922 56.400 0.073 0.000 0.823 231 E CB -0.069 29.702 29.700 0.118 0.000 0.766 231 E HN 0.833 nan 8.360 nan 0.000 0.468 232 T N -3.698 110.879 114.554 0.039 0.000 3.015 232 T HA 0.218 4.577 4.350 0.015 0.000 0.250 232 T C 1.602 176.308 174.700 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 69.493 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 0.015 0.000 0.251 233 G HA3 -0.213 3.756 3.960 0.015 0.000 0.251 233 G C -0.323 174.576 174.900 -0.001 0.000 1.008 233 G CA 0.277 45.382 45.100 0.008 0.000 0.724 233 G HN 0.685 nan 8.290 nan 0.000 0.514 234 E N -0.527 119.668 120.200 -0.008 0.000 2.288 234 E HA 0.513 4.872 4.350 0.015 0.000 0.268 234 E C 0.307 176.888 176.600 -0.031 0.000 0.885 234 E CA -1.294 55.089 56.400 -0.028 0.000 0.767 234 E CB 1.508 31.180 29.700 -0.047 0.000 1.220 234 E HN 0.050 nan 8.360 nan 0.000 0.427 235 I N 2.890 123.433 120.570 -0.046 0.000 2.668 235 I HA -0.011 4.168 4.170 0.015 0.000 0.285 235 I C 0.265 176.338 176.117 -0.074 0.000 1.168 235 I CA 0.497 61.774 61.300 -0.039 0.000 1.424 235 I CB -0.421 37.553 38.000 -0.045 0.000 1.377 235 I HN 0.302 nan 8.210 nan 0.000 0.560 236 K N 4.684 125.072 120.400 -0.020 0.000 2.267 236 K HA 0.795 5.124 4.320 0.015 0.000 0.246 236 K C -0.017 176.631 176.600 0.080 0.000 0.954 236 K CA -0.659 55.616 56.287 -0.020 0.000 0.824 236 K CB 2.475 34.987 32.500 0.020 0.000 1.167 236 K HN 0.804 nan 8.250 nan 0.000 0.431 237 G N 0.352 109.259 108.800 0.179 0.000 2.690 237 G HA2 0.404 4.373 3.960 0.015 0.000 0.291 237 G HA3 0.404 4.373 3.960 0.015 0.000 0.291 237 G C -1.849 173.258 174.900 0.345 0.000 1.403 237 G CA -0.264 45.053 45.100 0.361 0.000 0.864 237 G HN 0.555 nan 8.290 nan 0.000 0.480 238 H N 0.571 119.717 119.070 0.127 0.000 2.934 238 H HA 0.305 4.870 4.556 0.015 0.000 0.340 238 H C -1.159 174.190 175.328 0.036 0.000 1.008 238 H CA -0.580 55.462 56.048 -0.011 0.000 1.317 238 H CB 1.336 31.092 29.762 -0.010 0.000 1.670 238 H HN 0.372 nan 8.280 nan 0.000 0.516 239 Y N 5.644 125.716 120.300 -0.381 0.000 2.680 239 Y HA 0.113 4.672 4.550 0.015 0.000 0.356 239 Y C 0.676 176.488 175.900 -0.148 0.000 1.122 239 Y CA -0.602 57.343 58.100 -0.260 0.000 1.509 239 Y CB -0.578 37.682 38.460 -0.333 0.000 1.245 239 Y HN 0.338 nan 8.280 nan 0.000 0.513 240 L N 3.822 125.102 121.223 0.095 0.000 2.361 240 L HA 0.149 4.498 4.340 0.015 0.000 0.278 240 L C 0.719 177.640 176.870 0.084 0.000 1.113 240 L CA 0.056 54.883 54.840 -0.020 0.000 0.849 240 L CB 0.306 42.004 42.059 -0.602 0.000 1.155 240 L HN 0.618 nan 8.230 nan 0.000 0.452 241 N N 2.134 120.957 118.700 0.206 0.000 2.416 241 N HA 0.102 4.852 4.740 0.015 0.000 0.265 241 N C 0.809 176.482 175.510 0.271 0.000 1.195 241 N CA -0.412 52.770 53.050 0.220 0.000 0.943 241 N CB 0.938 39.538 38.487 0.188 0.000 1.115 241 N HN 0.526 nan 8.380 nan 0.000 0.481 242 V N 0.463 120.497 119.914 0.200 0.000 3.621 242 V HA 0.150 4.279 4.120 0.015 0.000 0.285 242 V C 0.630 176.755 176.094 0.052 0.000 1.346 242 V CA -0.208 62.151 62.300 0.098 0.000 1.104 242 V CB -0.242 31.585 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 0.502 4.861 4.350 0.015 0.000 0.293 243 T C 0.193 174.891 174.700 -0.004 0.000 1.005 243 T CA 1.176 63.344 62.100 0.113 0.000 1.162 243 T CB 0.364 69.236 68.868 0.006 0.000 0.968 243 T HN 1.035 nan 8.240 nan 0.000 0.530 244 A N 5.281 128.090 122.820 -0.019 0.000 2.569 244 A HA 0.788 5.117 4.320 0.015 0.000 0.290 244 A C -1.678 175.870 177.584 -0.060 0.000 1.136 244 A CA -1.348 50.637 52.037 -0.087 0.000 0.710 244 A CB 0.811 19.713 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 0.574 177.848 177.300 -0.043 0.000 1.150 245 P CA 1.886 64.956 63.100 -0.050 0.000 0.814 245 P CB -0.051 31.620 31.700 -0.048 0.000 0.787 246 T N -4.785 109.735 114.554 -0.057 0.000 2.883 246 T HA 0.316 4.675 4.350 0.015 0.000 0.296 246 T C 1.031 175.693 174.700 -0.063 0.000 1.117 246 T CA -0.657 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 -0.097 nan 8.240 nan 0.000 0.508 247 C N 0.600 119.869 119.300 -0.052 0.000 2.413 247 C HA -0.037 4.432 4.460 0.015 0.000 0.277 247 C C 2.640 177.568 174.990 -0.103 0.000 1.265 247 C CA 1.011 59.988 59.018 -0.068 0.000 1.752 247 C CB -1.369 26.345 27.740 -0.043 0.000 1.998 247 C HN 1.012 nan 8.230 nan 0.000 0.489 248 E N 0.810 120.957 120.200 -0.088 0.000 2.077 248 E HA -0.143 4.216 4.350 0.015 0.000 0.193 248 E C 2.268 178.783 176.600 -0.141 0.000 0.989 248 E CA 0.959 57.301 56.400 -0.096 0.000 0.800 248 E CB -0.285 29.375 29.700 -0.066 0.000 0.746 248 E HN 0.515 nan 8.360 nan 0.000 0.452 249 E N 0.168 120.276 120.200 -0.154 0.000 2.072 249 E HA -0.162 4.197 4.350 0.015 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 -0.226 119.224 119.600 -0.250 0.000 2.082 250 M HA -0.217 4.272 4.480 0.015 0.000 0.258 250 M C 1.972 178.059 176.300 -0.355 0.000 1.069 250 M CA 1.512 56.650 55.300 -0.270 0.000 1.102 250 M CB -0.012 32.470 32.600 -0.196 0.000 1.336 250 M HN 0.037 nan 8.290 nan 0.000 0.404 251 M N -0.120 119.279 119.600 -0.334 0.000 2.200 251 M HA -0.165 4.324 4.480 0.015 0.000 0.265 251 M C 2.100 178.182 176.300 -0.363 0.000 1.066 251 M CA 1.467 56.516 55.300 -0.418 0.000 1.127 251 M CB -1.185 31.235 32.600 -0.300 0.000 1.379 251 M HN 0.368 nan 8.290 nan 0.000 0.420 252 K N 0.452 120.683 120.400 -0.281 0.000 2.097 252 K HA -0.157 4.172 4.320 0.015 0.000 0.206 252 K C 2.041 178.478 176.600 -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 -0.237 119.929 120.500 -0.557 0.000 2.075 253 R HA 0.001 4.350 4.340 0.015 0.000 0.226 253 R C 2.408 178.672 176.300 -0.060 0.000 1.114 253 R CA 0.984 56.680 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 4.102 4.320 0.015 0.000 0.219 254 A C 1.973 179.448 177.584 -0.182 0.000 1.176 254 A CA 1.620 53.435 52.037 -0.370 0.000 0.631 254 A CB -0.320 18.034 19.000 -1.076 0.000 0.814 254 A HN 0.213 nan 8.150 nan 0.000 0.446 255 E N -1.210 118.914 120.200 -0.126 0.000 2.077 255 E HA -0.133 4.226 4.350 0.015 0.000 0.193 255 E C 1.598 178.418 176.600 0.366 0.000 0.989 255 E CA 1.191 57.710 56.400 0.198 0.000 0.800 255 E CB -0.334 29.449 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 0.013 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 0.066 nan 8.300 nan 0.000 0.489 257 A N 0.228 123.294 122.820 0.411 0.000 1.908 257 A HA -0.249 4.080 4.320 0.015 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 18.289 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 4.148 4.320 0.015 0.000 0.206 258 K C 2.070 178.749 176.600 0.130 0.000 1.050 258 K CA 1.573 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 0.560 120.837 120.200 0.130 0.000 2.118 259 E HA -0.169 4.190 4.350 0.015 0.000 0.195 259 E C 1.783 178.371 176.600 -0.019 0.000 0.992 259 E CA 0.859 57.310 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 -0.527 120.609 121.223 -0.145 0.000 2.554 260 L HA 0.108 4.458 4.340 0.015 0.000 0.226 260 L C 1.314 178.181 176.870 -0.004 0.000 1.137 260 L CA 0.424 55.178 54.840 -0.145 0.000 0.863 260 L CB 0.033 41.911 42.059 -0.302 0.000 0.985 260 L HN 0.376 nan 8.230 nan 0.000 0.451 261 G N 0.108 108.921 108.800 0.022 0.000 2.176 261 G HA2 -0.258 3.711 3.960 0.015 0.000 0.252 261 G HA3 -0.258 3.711 3.960 0.015 0.000 0.252 261 G C 0.254 175.190 174.900 0.061 0.000 1.024 261 G CA -0.205 44.927 45.100 0.053 0.000 0.755 261 G HN 0.102 nan 8.290 nan 0.000 0.507 262 M N 0.382 120.005 119.600 0.038 0.000 2.200 262 M HA 0.208 4.697 4.480 0.015 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 33.341 32.600 -0.009 0.000 1.625 262 M HN 0.044 nan 8.290 nan 0.000 0.463 263 P HA 0.176 nan 4.420 nan 0.000 0.231 263 P C 0.059 177.383 177.300 0.040 0.000 1.168 263 P CA 0.794 63.926 63.100 0.054 0.000 0.779 263 P CB 0.973 32.724 31.700 0.084 0.000 0.844 264 I N -0.165 120.443 120.570 0.062 0.000 2.722 264 I HA 0.352 4.531 4.170 0.015 0.000 0.292 264 I C -1.267 174.878 176.117 0.047 0.000 1.267 264 I CA -1.460 59.854 61.300 0.024 0.000 1.036 264 I CB 2.250 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 4.400 124.986 120.570 0.026 0.000 3.206 265 I HA 0.689 4.868 4.170 0.015 0.000 0.313 265 I C -0.952 175.188 176.117 0.038 0.000 1.103 265 I CA -0.990 60.342 61.300 0.053 0.000 0.985 265 I CB 2.202 40.253 38.000 0.086 0.000 1.240 265 I HN 0.710 nan 8.210 nan 0.000 0.464 266 M N 1.628 121.293 119.600 0.110 0.000 2.690 266 M HA 0.652 5.141 4.480 0.015 0.000 0.302 266 M C -1.616 174.814 176.300 0.216 0.000 1.234 266 M CA -0.514 54.884 55.300 0.162 0.000 0.853 266 M CB 2.342 35.111 32.600 0.282 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 0.423 4.989 4.556 0.017 0.000 0.352 267 H C -1.994 173.382 175.328 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 6.067 126.266 120.400 -0.334 0.000 2.453 268 D HA 0.022 4.671 4.640 0.015 0.000 0.223 268 D C 1.129 177.196 176.300 -0.389 0.000 1.183 268 D CA -0.213 53.653 54.000 -0.223 0.000 0.933 268 D CB -0.268 40.416 40.800 -0.192 0.000 1.038 268 D HN 0.521 nan 8.370 nan 0.000 0.513 269 F N 0.880 120.592 119.950 -0.396 0.000 2.293 269 F HA -0.043 4.493 4.527 0.014 0.000 0.300 269 F C 1.242 176.767 175.800 -0.458 0.000 1.086 269 F CA 0.729 58.485 58.000 -0.407 0.000 1.375 269 F CB -0.427 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 -1.008 0.000 2.202 270 L HA -0.041 4.309 4.340 0.015 0.000 0.205 270 L C 2.656 179.266 176.870 -0.433 0.000 1.083 270 L CA 1.414 55.729 54.840 -0.876 0.000 0.790 270 L CB -0.890 40.649 42.059 -0.867 0.000 0.942 270 L HN 0.366 nan 8.230 nan 0.000 0.452 271 T N -3.062 111.295 114.554 -0.328 0.000 3.014 271 T HA 0.073 4.432 4.350 0.015 0.000 0.263 271 T C 1.793 176.385 174.700 -0.179 0.000 1.078 271 T CA 0.720 62.696 62.100 -0.207 0.000 1.135 271 T CB 0.030 68.804 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 4.950 4.320 0.015 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 1.435 nan 8.150 nan 0.000 0.446 273 G N -3.156 105.555 108.800 -0.148 0.000 2.539 273 G HA2 0.047 4.016 3.960 0.015 0.000 0.686 273 G HA3 0.047 4.016 3.960 0.015 0.000 0.686 273 G C -0.061 174.829 174.900 -0.015 0.000 1.258 273 G CA -0.226 44.815 45.100 -0.099 0.000 0.846 273 G HN 0.218 nan 8.290 nan 0.000 0.647 274 F N 0.483 120.489 119.950 0.095 0.000 2.234 274 F HA 0.042 4.578 4.527 0.014 0.000 0.299 274 F C 3.050 178.923 175.800 0.122 0.000 1.087 274 F CA 2.211 60.296 58.000 0.143 0.000 1.340 274 F CB -0.226 38.851 39.000 0.127 0.000 1.031 274 F HN 0.537 nan 8.300 nan 0.000 0.500 275 T N -0.439 114.274 114.554 0.264 0.000 2.777 275 T HA -0.137 4.222 4.350 0.015 0.000 0.266 275 T C 2.315 177.093 174.700 0.131 0.000 1.040 275 T CA 1.302 63.504 62.100 0.170 0.000 1.141 275 T CB -0.556 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 4.220 4.320 0.015 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 0.520 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 4.601 4.740 0.015 0.000 0.188 277 N C 1.588 177.175 175.510 0.128 0.000 1.024 277 N CA 2.053 55.224 53.050 0.201 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 -0.166 114.492 114.554 0.174 0.000 2.788 278 T HA -0.073 4.286 4.350 0.015 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 2.192 116.788 114.554 0.071 0.000 2.684 279 T HA -0.058 4.301 4.350 0.015 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 1.139 122.357 121.223 -0.008 0.000 2.056 280 L HA 0.164 4.513 4.340 0.015 0.000 0.207 280 L C 2.582 179.517 176.870 0.109 0.000 1.078 280 L CA 1.736 56.566 54.840 -0.017 0.000 0.749 280 L CB -0.988 40.915 42.059 -0.261 0.000 0.901 280 L HN 0.215 nan 8.230 nan 0.000 0.433 281 A N -0.639 122.221 122.820 0.065 0.000 1.933 281 A HA -0.177 4.152 4.320 0.015 0.000 0.218 281 A C 2.211 179.830 177.584 0.057 0.000 1.175 281 A CA 1.601 53.672 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 -1.479 118.969 120.400 0.080 0.000 2.062 282 K HA -0.176 4.153 4.320 0.015 0.000 0.205 282 K C 1.782 178.428 176.600 0.077 0.000 1.051 282 K CA 1.317 57.639 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 0.756 nan 8.250 nan 0.000 0.440 283 W N 1.822 123.107 121.300 -0.025 0.000 2.358 283 W HA -0.253 4.410 4.660 0.006 0.000 0.303 283 W C 2.102 178.619 176.519 -0.003 0.000 1.208 283 W CA 1.332 58.669 57.345 -0.014 0.000 1.274 283 W CB -0.399 29.049 29.460 -0.020 0.000 1.138 283 W HN 0.022 nan 8.180 nan 0.000 0.515 284 C N 0.111 119.512 119.300 0.168 0.000 2.413 284 C HA -0.168 4.301 4.460 0.015 0.000 0.277 284 C C 2.717 177.638 174.990 -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 1.340 121.750 120.500 -0.151 0.000 2.081 285 R HA -0.093 4.256 4.340 0.015 0.000 0.235 285 R C 1.547 177.739 176.300 -0.180 0.000 1.131 285 R CA 1.817 57.787 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 -0.473 119.794 120.400 -0.222 0.000 2.317 286 D HA -0.026 4.623 4.640 0.015 0.000 0.211 286 D C 0.445 176.555 176.300 -0.315 0.000 0.966 286 D CA 0.759 54.621 54.000 -0.229 0.000 0.876 286 D CB 0.093 40.769 40.800 -0.208 0.000 0.927 286 D HN 0.311 nan 8.370 nan 0.000 0.519 287 N N -0.705 117.707 118.700 -0.480 0.000 2.159 287 N HA 0.096 4.845 4.740 0.015 0.000 0.217 287 N C 0.837 176.167 175.510 -0.300 0.000 1.223 287 N CA 0.350 53.077 53.050 -0.537 0.000 0.896 287 N CB 1.827 39.600 38.487 -1.190 0.000 1.064 287 N HN 0.047 nan 8.380 nan 0.000 0.518 288 G N 1.311 110.032 108.800 -0.130 0.000 2.221 288 G HA2 -0.246 3.723 3.960 0.015 0.000 0.265 288 G HA3 -0.246 3.723 3.960 0.015 0.000 0.265 288 G C -0.171 174.704 174.900 -0.042 0.000 1.041 288 G CA 0.262 45.377 45.100 0.024 0.000 0.807 288 G HN 0.155 nan 8.290 nan 0.000 0.502 289 V N 0.908 120.827 119.914 0.008 0.000 2.435 289 V HA 0.579 4.708 4.120 0.015 0.000 0.290 289 V C 1.012 177.165 176.094 0.099 0.000 1.030 289 V CA -0.901 61.421 62.300 0.037 0.000 0.881 289 V CB 1.730 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 4.555 125.750 121.223 -0.047 0.000 2.436 290 L HA 0.380 4.729 4.340 0.015 0.000 0.265 290 L C -0.396 176.438 176.870 -0.060 0.000 1.168 290 L CA -0.251 54.553 54.840 -0.061 0.000 0.815 290 L CB 0.764 42.716 42.059 -0.179 0.000 1.109 290 L HN 0.437 nan 8.230 nan 0.000 0.462 291 L N 2.470 123.631 121.223 -0.104 0.000 2.342 291 L HA 0.346 4.695 4.340 0.015 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 5.440 124.227 119.070 -0.471 0.000 2.527 292 H HA 0.564 5.129 4.556 0.015 0.000 0.321 292 H C -0.873 174.336 175.328 -0.199 0.000 1.087 292 H CA -0.480 55.242 56.048 -0.544 0.000 1.337 292 H CB 0.777 29.932 29.762 -1.012 0.000 1.440 292 H HN 0.501 nan 8.280 nan 0.000 0.490 293 I N 5.867 126.066 120.570 -0.618 0.000 2.339 293 I HA 0.107 4.286 4.170 0.015 0.000 0.290 293 I C 0.130 176.034 176.117 -0.356 0.000 0.994 293 I CA -0.422 60.665 61.300 -0.355 0.000 1.191 293 I CB 0.831 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 0.290 4.855 4.556 0.015 0.000 0.327 294 H C 0.224 175.527 175.328 -0.041 0.000 1.099 294 H CA -0.400 55.496 56.048 -0.252 0.000 1.323 294 H CB 1.262 30.932 29.762 -0.153 0.000 1.450 294 H HN 0.505 nan 8.280 nan 0.000 0.502 295 R N 2.953 123.266 120.500 -0.311 0.000 2.555 295 R HA 0.373 4.723 4.340 0.015 0.000 0.272 295 R C 0.517 176.844 176.300 0.045 0.000 1.089 295 R CA -0.245 55.877 56.100 0.038 0.000 1.126 295 R CB -0.094 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 0.198 0.000 2.580 296 A HA 0.101 4.430 4.320 0.015 0.000 0.244 296 A C 0.930 178.525 177.584 0.018 0.000 1.045 296 A CA 0.937 53.086 52.037 0.187 0.000 0.761 296 A CB -0.278 18.813 19.000 0.152 0.000 0.962 296 A HN 0.841 nan 8.150 nan 0.000 0.512 297 M N 0.567 120.178 119.600 0.017 0.000 3.035 297 M HA -0.280 4.210 4.480 0.015 0.000 0.218 297 M C 0.977 177.228 176.300 -0.082 0.000 0.567 297 M CA 1.791 57.053 55.300 -0.063 0.000 0.833 297 M CB -2.039 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 -0.758 118.258 119.070 -0.089 0.000 2.422 298 H HA 0.263 4.828 4.556 0.015 0.000 0.298 298 H C 1.696 177.011 175.328 -0.022 0.000 1.098 298 H CA 1.890 57.916 56.048 -0.038 0.000 1.315 298 H CB -0.422 29.374 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 -0.863 0.000 2.119 299 A HA 0.026 4.355 4.320 0.015 0.000 0.217 299 A C 2.437 179.877 177.584 -0.240 0.000 1.153 299 A CA 0.912 52.593 52.037 -0.594 0.000 0.692 299 A CB -0.631 18.032 19.000 -0.561 0.000 0.799 299 A HN 0.352 nan 8.150 nan 0.000 0.458 300 V N -0.179 119.629 119.914 -0.177 0.000 2.594 300 V HA -0.244 3.885 4.120 0.015 0.000 0.253 300 V C 2.164 178.226 176.094 -0.052 0.000 1.069 300 V CA 2.099 64.345 62.300 -0.089 0.000 1.082 300 V CB -0.529 31.249 31.823 -0.074 0.000 0.680 300 V HN 0.618 nan 8.190 nan 0.000 0.469 301 I N 0.344 120.877 120.570 -0.061 0.000 3.172 301 I HA 0.013 4.192 4.170 0.015 0.000 0.278 301 I C 1.669 177.789 176.117 0.006 0.000 1.174 301 I CA 0.971 62.257 61.300 -0.023 0.000 1.445 301 I CB -0.022 37.963 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 4.619 4.640 0.015 0.000 0.211 302 D C 1.785 178.079 176.300 -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 0.064 0.000 0.984 302 D HN 0.006 nan 8.370 nan 0.000 0.505 303 R N 0.155 120.644 120.500 -0.018 0.000 2.062 303 R HA 0.038 4.388 4.340 0.015 0.000 0.226 303 R C 0.410 176.740 176.300 0.050 0.000 1.125 303 R CA 0.976 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 0.015 0.000 0.252 304 Q C 0.266 176.347 176.000 0.135 0.000 0.915 304 Q CA -0.015 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 0.822 121.404 120.500 0.138 0.000 2.310 305 R HA 0.012 4.361 4.340 0.015 0.000 0.202 305 R C 0.798 177.191 176.300 0.154 0.000 0.933 305 R CA 0.605 56.805 56.100 0.167 0.000 1.054 305 R CB 0.001 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 0.239 119.027 118.700 0.147 0.000 2.405 306 N HA -0.097 4.652 4.740 0.015 0.000 0.175 306 N C -0.397 175.254 175.510 0.234 0.000 1.051 306 N CA 0.464 53.603 53.050 0.148 0.000 0.899 306 N CB 0.086 38.643 38.487 0.117 0.000 1.000 306 N HN 0.384 nan 8.380 nan 0.000 0.451 307 H N -1.228 117.930 119.070 0.147 0.000 3.026 307 H HA 0.561 5.126 4.556 0.015 0.000 0.352 307 H C -0.007 175.454 175.328 0.222 0.000 1.090 307 H CA 0.404 56.577 56.048 0.207 0.000 1.268 307 H CB 1.456 31.322 29.762 0.173 0.000 1.816 307 H HN 0.359 nan 8.280 nan 0.000 0.518 308 G N 2.566 111.395 108.800 0.048 0.000 2.250 308 G HA2 0.017 3.986 3.960 0.015 0.000 0.252 308 G HA3 0.017 3.986 3.960 0.015 0.000 0.252 308 G C -1.610 173.353 174.900 0.106 0.000 1.325 308 G CA -0.347 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 1.001 121.600 120.570 0.048 0.000 2.498 309 I HA 0.340 4.519 4.170 0.015 0.000 0.290 309 I C 0.183 176.364 176.117 0.105 0.000 1.032 309 I CA -0.904 60.439 61.300 0.071 0.000 1.073 309 I CB 1.989 39.989 38.000 -0.001 0.000 1.251 309 I HN 0.654 nan 8.210 nan 0.000 0.426 310 H N 4.813 123.928 119.070 0.074 0.000 2.790 310 H HA 0.007 4.572 4.556 0.015 0.000 0.358 310 H C 0.436 175.826 175.328 0.103 0.000 1.103 310 H CA 0.575 56.695 56.048 0.121 0.000 1.426 310 H CB 1.076 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 5.176 124.909 119.950 -0.362 0.000 2.202 311 F HA -0.204 4.332 4.527 0.015 0.000 0.301 311 F C 2.653 178.378 175.800 -0.126 0.000 1.082 311 F CA 1.754 59.620 58.000 -0.223 0.000 1.313 311 F CB -0.123 38.633 39.000 -0.407 0.000 1.024 311 F HN 0.662 nan 8.300 nan 0.000 0.495 312 R N -0.162 120.386 120.500 0.080 0.000 2.189 312 R HA -0.087 4.262 4.340 0.015 0.000 0.223 312 R C 1.661 177.947 176.300 -0.023 0.000 1.092 312 R CA 1.714 57.826 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 1.744 121.665 119.914 0.011 0.000 2.379 313 V HA -0.155 3.974 4.120 0.015 0.000 0.245 313 V C 2.464 178.540 176.094 -0.031 0.000 1.044 313 V CA 1.342 63.658 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 0.264 nan 8.190 nan 0.000 0.453 314 L N 0.238 121.370 121.223 -0.152 0.000 2.083 314 L HA -0.126 4.223 4.340 0.015 0.000 0.209 314 L C 2.738 179.463 176.870 -0.241 0.000 1.083 314 L CA 1.461 56.246 54.840 -0.091 0.000 0.752 314 L CB -0.829 41.185 42.059 -0.076 0.000 0.899 314 L HN 0.359 nan 8.230 nan 0.000 0.433 315 A N 0.298 122.725 122.820 -0.655 0.000 1.877 315 A HA -0.207 4.122 4.320 0.015 0.000 0.216 315 A C 2.355 179.814 177.584 -0.208 0.000 1.186 315 A CA 1.599 53.318 52.037 -0.530 0.000 0.620 315 A CB -0.322 18.316 19.000 -0.603 0.000 0.822 315 A HN 0.294 nan 8.150 nan 0.000 0.443 316 K N -0.772 119.597 120.400 -0.051 0.000 2.026 316 K HA -0.159 4.170 4.320 0.015 0.000 0.208 316 K C 2.096 178.647 176.600 -0.083 0.000 1.048 316 K CA 1.517 57.884 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 1.112 120.352 119.300 -0.100 0.000 2.425 317 C HA -0.085 4.385 4.460 0.015 0.000 0.277 317 C C 2.496 177.424 174.990 -0.104 0.000 1.280 317 C CA 0.310 59.202 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 1.572 122.776 121.223 -0.031 0.000 2.056 318 L HA -0.096 4.253 4.340 0.015 0.000 0.207 318 L C 2.727 179.468 176.870 -0.216 0.000 1.078 318 L CA 1.899 56.642 54.840 -0.162 0.000 0.749 318 L CB -0.993 40.722 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 4.192 4.340 0.015 0.000 0.234 319 R C 2.293 178.438 176.300 -0.257 0.000 1.123 319 R CA 1.406 57.318 56.100 -0.314 0.000 0.975 319 R CB -0.258 29.717 30.300 -0.541 0.000 0.866 319 R HN 0.424 nan 8.270 nan 0.000 0.446 320 L N -0.495 120.548 121.223 -0.300 0.000 2.023 320 L HA -0.083 4.266 4.340 0.015 0.000 0.205 320 L C 2.616 179.373 176.870 -0.189 0.000 1.073 320 L CA 1.489 56.052 54.840 -0.462 0.000 0.745 320 L CB -0.648 40.719 42.059 -1.153 0.000 0.900 320 L HN 0.286 nan 8.230 nan 0.000 0.435 321 S N -0.816 114.830 115.700 -0.089 0.000 2.359 321 S HA 0.005 4.484 4.470 0.015 0.000 0.224 321 S C 0.836 175.486 174.600 0.083 0.000 1.035 321 S CA 1.129 59.406 58.200 0.127 0.000 1.018 321 S CB -0.238 63.148 63.200 0.309 0.000 0.876 321 S HN 0.607 nan 8.310 nan 0.000 0.448 322 G N -1.576 107.218 108.800 -0.010 0.000 2.873 322 G HA2 0.427 4.396 3.960 0.015 0.000 0.507 322 G HA3 0.427 4.396 3.960 0.015 0.000 0.507 322 G C -0.386 174.463 174.900 -0.086 0.000 1.440 322 G CA -0.429 44.645 45.100 -0.043 0.000 1.016 322 G HN 0.957 nan 8.290 nan 0.000 0.615 323 G N 0.611 109.336 108.800 -0.125 0.000 2.733 323 G HA2 0.594 4.563 3.960 0.015 0.000 0.297 323 G HA3 0.594 4.563 3.960 0.015 0.000 0.297 323 G C -0.149 174.675 174.900 -0.126 0.000 1.452 323 G CA 0.136 45.148 45.100 -0.147 0.000 0.940 323 G HN 0.328 nan 8.290 nan 0.000 0.547 324 D N -0.230 120.102 120.400 -0.113 0.000 2.216 324 D HA 0.071 4.720 4.640 0.015 0.000 0.208 324 D C 0.451 176.793 176.300 0.070 0.000 0.960 324 D CA 1.076 55.050 54.000 -0.043 0.000 0.861 324 D CB 0.286 41.054 40.800 -0.052 0.000 0.985 324 D HN 0.587 nan 8.370 nan 0.000 0.493 325 H N -0.768 118.193 119.070 -0.182 0.000 2.670 325 H HA 0.565 5.131 4.556 0.016 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 1.590 122.752 121.223 -0.102 0.000 2.505 326 L HA 0.199 4.548 4.340 0.015 0.000 0.266 326 L C -0.881 175.965 176.870 -0.041 0.000 0.954 326 L CA -0.369 54.392 54.840 -0.132 0.000 0.852 326 L CB 1.485 43.463 42.059 -0.137 0.000 1.282 326 L HN 0.719 nan 8.230 nan 0.000 0.403 327 H N 2.692 121.628 119.070 -0.223 0.000 3.001 327 H HA 0.158 4.723 4.556 0.015 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 0.015 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 0.129 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 3.861 3.960 0.015 0.000 0.678 329 G HA3 -0.108 3.861 3.960 0.015 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 -3.466 111.120 114.554 0.053 0.000 2.955 330 T HA 0.442 4.801 4.350 0.015 0.000 0.251 330 T C 1.853 176.630 174.700 0.127 0.000 1.002 330 T CA 1.379 63.527 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 2.268 nan 8.240 nan 0.000 0.495 331 V N 0.837 120.794 119.914 0.072 0.000 0.449 331 V HA -0.330 3.799 4.120 0.015 0.000 0.092 331 V C 2.072 178.159 176.094 -0.012 0.000 2.531 331 V CA 1.999 64.317 62.300 0.029 0.000 3.708 331 V CB -1.935 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 -1.514 118.362 119.914 -0.064 0.000 3.650 332 V HA 0.670 4.800 4.120 0.015 0.000 0.271 332 V C 1.296 177.231 176.094 -0.264 0.000 1.281 332 V CA 1.337 63.555 62.300 -0.136 0.000 1.120 332 V CB 0.045 31.773 31.823 -0.157 0.000 0.856 332 V HN 0.867 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 0.015 0.000 0.253 333 G HA3 0.266 4.235 3.960 0.015 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 -1.195 119.176 120.400 -0.049 0.000 2.366 334 K HA 0.182 4.511 4.320 0.015 0.000 0.198 334 K C 0.255 176.856 176.600 0.002 0.000 1.044 334 K CA 0.374 56.658 56.287 -0.004 0.000 0.973 334 K CB -0.208 32.299 32.500 0.011 0.000 0.767 334 K HN 0.210 nan 8.250 nan 0.000 0.475 335 L N 1.548 122.767 121.223 -0.007 0.000 2.330 335 L HA 0.335 4.684 4.340 0.015 0.000 0.271 335 L C -0.160 176.718 176.870 0.012 0.000 1.013 335 L CA -1.108 53.737 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 0.083 nan 8.230 nan 0.000 0.435 336 E N 0.580 120.794 120.200 0.022 0.000 2.360 336 E HA 0.468 4.827 4.350 0.015 0.000 0.269 336 E C -0.472 176.162 176.600 0.057 0.000 1.022 336 E CA -0.153 56.268 56.400 0.035 0.000 0.887 336 E CB 0.904 30.624 29.700 0.034 0.000 0.990 336 E HN 0.738 nan 8.360 nan 0.000 0.426 337 G N 3.721 112.561 108.800 0.067 0.000 2.552 337 G HA2 0.112 4.081 3.960 0.015 0.000 0.288 337 G HA3 0.112 4.081 3.960 0.015 0.000 0.288 337 G C -1.550 173.401 174.900 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 0.218 4.867 4.640 0.015 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 4.188 4.320 0.015 0.000 0.208 339 K C 1.757 178.291 176.600 -0.110 0.000 1.048 339 K CA 1.584 57.825 56.287 -0.076 0.000 0.929 339 K CB -0.225 32.236 32.500 -0.065 0.000 0.713 339 K HN 0.457 nan 8.250 nan 0.000 0.439 340 A N 0.195 122.976 122.820 -0.065 0.000 1.877 340 A HA -0.153 4.176 4.320 0.015 0.000 0.216 340 A C 2.339 179.875 177.584 -0.080 0.000 1.186 340 A CA 2.128 54.123 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 0.015 0.000 0.224 341 S C 2.123 176.569 174.600 -0.257 0.000 1.035 341 S CA 2.001 60.223 58.200 0.037 0.000 1.018 341 S CB -0.487 62.873 63.200 0.267 0.000 0.876 341 S HN 0.711 nan 8.310 nan 0.000 0.448 342 T N 2.621 116.908 114.554 -0.444 0.000 2.746 342 T HA 0.013 4.372 4.350 0.015 0.000 0.267 342 T C 1.733 175.996 174.700 -0.728 0.000 1.039 342 T CA 1.060 62.569 62.100 -0.985 0.000 1.142 342 T CB -0.374 68.239 68.868 -0.425 0.000 0.866 342 T HN 0.276 nan 8.240 nan 0.000 0.444 343 L N 0.625 121.614 121.223 -0.391 0.000 2.131 343 L HA -0.033 4.316 4.340 0.015 0.000 0.210 343 L C 2.942 179.705 176.870 -0.179 0.000 1.092 343 L CA 1.260 55.942 54.840 -0.263 0.000 0.759 343 L CB -0.974 40.964 42.059 -0.202 0.000 0.903 343 L HN 0.353 nan 8.230 nan 0.000 0.435 344 G N 1.026 109.728 108.800 -0.164 0.000 2.433 344 G HA2 -0.306 3.664 3.960 0.015 0.000 0.216 344 G HA3 -0.306 3.664 3.960 0.015 0.000 0.216 344 G C 1.274 176.228 174.900 0.089 0.000 1.186 344 G CA 0.968 46.051 45.100 -0.028 0.000 0.779 344 G HN 0.480 nan 8.290 nan 0.000 0.543 345 F N 0.461 120.500 119.950 0.148 0.000 2.615 345 F HA 0.310 4.846 4.527 0.016 0.000 0.297 345 F C 2.094 177.985 175.800 0.152 0.000 1.124 345 F CA -0.234 57.870 58.000 0.174 0.000 1.451 345 F CB -0.759 38.392 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 3.888 4.120 0.015 0.000 0.246 346 V C 2.072 178.244 176.094 0.130 0.000 1.047 346 V CA 2.272 64.691 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 0.228 nan 8.190 nan 0.000 0.452 347 D N 0.012 120.466 120.400 0.091 0.000 2.144 347 D HA -0.102 4.548 4.640 0.015 0.000 0.199 347 D C 2.108 178.482 176.300 0.124 0.000 0.984 347 D CA 1.092 55.143 54.000 0.085 0.000 0.834 347 D CB -0.217 40.622 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 4.249 4.340 0.015 0.000 0.210 348 L C 2.397 179.325 176.870 0.097 0.000 1.092 348 L CA 0.886 55.889 54.840 0.272 0.000 0.759 348 L CB -0.396 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 -2.628 116.987 119.600 0.025 0.000 2.502 349 M HA 0.053 4.542 4.480 0.015 0.000 0.243 349 M C 1.907 178.081 176.300 -0.210 0.000 1.130 349 M CA 1.045 56.251 55.300 -0.156 0.000 1.055 349 M CB 0.159 32.733 32.600 -0.043 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 0.015 0.000 0.198 350 R C 0.368 176.614 176.300 -0.090 0.000 1.028 350 R CA 0.203 56.251 56.100 -0.086 0.000 1.083 350 R CB 0.499 30.796 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 0.015 0.000 0.257 351 E C -0.077 176.578 176.600 0.091 0.000 1.155 351 E CA 0.155 56.581 56.400 0.044 0.000 0.936 351 E CB 1.059 30.819 29.700 0.100 0.000 1.130 351 E HN 0.012 nan 8.360 nan 0.000 0.465 352 D N -1.125 119.384 120.400 0.182 0.000 2.355 352 D HA -0.073 4.576 4.640 0.015 0.000 0.206 352 D C -0.328 176.217 176.300 0.409 0.000 1.010 352 D CA 0.575 54.749 54.000 0.289 0.000 0.875 352 D CB 0.462 41.381 40.800 0.198 0.000 0.966 352 D HN 0.279 nan 8.370 nan 0.000 0.512 353 H N -0.253 118.949 119.070 0.220 0.000 3.017 353 H HA 0.367 4.932 4.556 0.015 0.000 0.340 353 H C -1.682 173.733 175.328 0.145 0.000 1.014 353 H CA -0.636 55.509 56.048 0.161 0.000 1.341 353 H CB 0.547 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 4.302 4.170 0.015 0.000 0.285 354 I C 0.185 176.148 176.117 -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 39.640 38.000 0.053 0.000 1.242 354 I HN 0.390 nan 8.210 nan 0.000 0.439 355 E N 3.978 124.093 120.200 -0.142 0.000 2.392 355 E HA 0.332 4.691 4.350 0.015 0.000 0.264 355 E C 0.148 176.727 176.600 -0.036 0.000 1.024 355 E CA -0.212 56.151 56.400 -0.061 0.000 0.903 355 E CB 1.138 30.864 29.700 0.043 0.000 0.963 355 E HN 0.664 nan 8.360 nan 0.000 0.432 356 A N 2.951 125.757 122.820 -0.023 0.000 2.565 356 A HA 0.025 4.354 4.320 0.015 0.000 0.237 356 A C 0.115 177.658 177.584 -0.069 0.000 1.053 356 A CA 0.398 52.412 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 1.038 121.371 120.400 -0.111 0.000 2.312 357 D HA 0.185 4.834 4.640 0.015 0.000 0.229 357 D C 0.801 176.983 176.300 -0.197 0.000 1.337 357 D CA -0.528 53.398 54.000 -0.124 0.000 0.964 357 D CB 0.476 41.231 40.800 -0.076 0.000 1.456 357 D HN 0.388 nan 8.370 nan 0.000 0.547 358 R N 1.023 121.360 120.500 -0.271 0.000 2.189 358 R HA -0.046 4.303 4.340 0.015 0.000 0.223 358 R C 1.727 177.872 176.300 -0.259 0.000 1.092 358 R CA 1.044 56.900 56.100 -0.406 0.000 0.989 358 R CB -0.386 29.649 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 -0.012 4.467 4.470 0.015 0.000 0.231 359 S C 1.553 176.101 174.600 -0.086 0.000 0.996 359 S CA 0.480 58.617 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 0.110 120.552 120.500 -0.097 0.000 2.543 360 R HA 0.318 4.667 4.340 0.015 0.000 0.323 360 R C 1.146 177.413 176.300 -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 1.061 109.793 108.800 -0.114 0.000 2.143 361 G HA2 -0.249 3.720 3.960 0.015 0.000 0.249 361 G HA3 -0.249 3.720 3.960 0.015 0.000 0.249 361 G C 0.123 175.004 174.900 -0.032 0.000 0.981 361 G CA 0.094 45.136 45.100 -0.097 0.000 0.665 361 G HN 0.143 nan 8.290 nan 0.000 0.528 362 V N 1.618 121.479 119.914 -0.087 0.000 2.339 362 V HA 0.455 4.584 4.120 0.015 0.000 0.261 362 V C 1.373 177.397 176.094 -0.117 0.000 1.058 362 V CA -0.295 62.004 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 3.395 123.193 119.950 -0.253 0.000 2.293 363 F HA 0.216 4.753 4.527 0.015 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 -1.200 118.855 119.950 0.174 0.000 2.546 364 F HA 0.383 4.919 4.527 0.015 0.000 0.320 364 F C 0.445 176.248 175.800 0.004 0.000 1.076 364 F CA -1.724 56.326 58.000 0.083 0.000 0.928 364 F CB 0.691 39.731 39.000 0.066 0.000 1.189 364 F HN -0.526 nan 8.300 nan 0.000 0.465 365 T N 1.920 116.572 114.554 0.163 0.000 2.853 365 T HA 0.220 4.580 4.350 0.015 0.000 0.298 365 T C -0.375 174.300 174.700 -0.041 0.000 0.978 365 T CA -0.004 62.097 62.100 0.003 0.000 1.152 365 T CB 0.473 69.332 68.868 -0.015 0.000 0.914 365 T HN 0.419 nan 8.240 nan 0.000 0.539 366 Q N 2.842 122.562 119.800 -0.133 0.000 2.331 366 Q HA 0.330 4.679 4.340 0.015 0.000 0.267 366 Q C -1.219 174.613 176.000 -0.280 0.000 1.006 366 Q CA -0.509 55.167 55.803 -0.212 0.000 0.818 366 Q CB 1.099 29.735 28.738 -0.169 0.000 1.276 366 Q HN 0.525 nan 8.270 nan 0.000 0.450 367 D N 2.690 122.915 120.400 -0.291 0.000 2.252 367 D HA 0.248 4.897 4.640 0.015 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 0.310 121.639 121.300 0.049 0.000 2.714 368 W HA 0.300 4.969 4.660 0.014 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 0.402 29.864 29.460 0.004 0.000 1.106 368 W HN 0.580 nan 8.180 nan 0.000 0.545 369 A N 0.780 123.723 122.820 0.205 0.000 2.704 369 A HA -0.237 4.092 4.320 0.015 0.000 0.299 369 A C 1.243 178.909 177.584 0.137 0.000 1.507 369 A CA 1.269 53.389 52.037 0.139 0.000 0.776 369 A CB -1.874 17.186 19.000 0.099 0.000 1.027 369 A HN 0.701 nan 8.150 nan 0.000 0.475 370 S N -3.383 112.408 115.700 0.152 0.000 3.361 370 S HA -0.257 4.222 4.470 0.015 0.000 0.288 370 S C 0.326 174.979 174.600 0.089 0.000 1.269 370 S CA 1.360 59.623 58.200 0.106 0.000 0.976 370 S CB -1.962 61.282 63.200 0.074 0.000 1.162 370 S HN 1.818 nan 8.310 nan 0.000 0.643 371 M N 2.478 122.154 119.600 0.127 0.000 2.246 371 M HA 0.186 4.675 4.480 0.015 0.000 0.350 371 M C -2.236 174.047 176.300 -0.029 0.000 1.406 371 M CA -1.237 54.105 55.300 0.068 0.000 1.089 371 M CB 0.395 33.079 32.600 0.140 0.000 1.782 371 M HN -0.135 nan 8.290 nan 0.000 0.457 372 P HA 0.061 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 0.325 31.996 31.700 -0.049 0.000 0.854 373 G N 0.637 109.354 108.800 -0.138 0.000 2.562 373 G HA2 0.454 4.423 3.960 0.015 0.000 0.275 373 G HA3 0.454 4.423 3.960 0.015 0.000 0.275 373 G C -0.934 173.881 174.900 -0.142 0.000 1.196 373 G CA -0.425 44.562 45.100 -0.188 0.000 0.908 373 G HN 0.374 nan 8.290 nan 0.000 0.524 374 V N 0.904 120.725 119.914 -0.155 0.000 2.459 374 V HA 0.289 4.418 4.120 0.015 0.000 0.295 374 V C 0.343 176.405 176.094 -0.053 0.000 1.029 374 V CA -0.668 61.570 62.300 -0.104 0.000 0.874 374 V CB 1.639 33.369 31.823 -0.154 0.000 0.985 374 V HN 0.567 nan 8.190 nan 0.000 0.438 375 L N 7.848 129.061 121.223 -0.017 0.000 2.418 375 L HA 0.260 4.609 4.340 0.015 0.000 0.274 375 L C -1.917 174.898 176.870 -0.090 0.000 1.135 375 L CA -1.308 53.497 54.840 -0.058 0.000 0.870 375 L CB 1.236 43.215 42.059 -0.133 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 -0.159 62.886 63.100 -0.092 0.000 0.776 376 P CB 1.351 33.066 31.700 0.026 0.000 0.888 377 V N 3.157 122.884 119.914 -0.312 0.000 2.350 377 V HA 0.485 4.614 4.120 0.015 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 1.232 32.779 31.823 -0.461 0.000 1.000 377 V HN 0.676 nan 8.190 nan 0.000 0.433 378 A N 3.879 126.328 122.820 -0.620 0.000 2.269 378 A HA 0.800 5.129 4.320 0.015 0.000 0.302 378 A C 0.091 177.401 177.584 -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 1.608 117.105 115.700 -0.339 0.000 2.533 379 S HA 0.750 5.229 4.470 0.015 0.000 0.271 379 S C -0.516 173.994 174.600 -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 2.562 nan 8.310 nan 0.000 0.468 380 G N 1.721 110.430 108.800 -0.153 0.000 3.152 380 G HA2 0.449 4.418 3.960 0.015 0.000 0.666 380 G HA3 0.449 4.418 3.960 0.015 0.000 0.666 380 G C 0.818 175.656 174.900 -0.103 0.000 1.205 380 G CA 0.296 45.348 45.100 -0.080 0.000 1.178 380 G HN 2.121 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 -0.026 3.943 3.960 0.015 0.000 0.251 381 G HA3 -0.026 3.943 3.960 0.015 0.000 0.251 381 G C 0.604 175.465 174.900 -0.065 0.000 1.008 381 G CA 0.980 46.050 45.100 -0.049 0.000 0.724 381 G HN 2.288 nan 8.290 nan 0.000 0.514 382 I N -1.962 118.542 120.570 -0.110 0.000 2.525 382 I HA 0.943 5.122 4.170 0.015 0.000 0.301 382 I C 0.226 176.506 176.117 0.271 0.000 0.992 382 I CA -1.376 59.917 61.300 -0.012 0.000 1.162 382 I CB 1.575 39.451 38.000 -0.207 0.000 1.332 382 I HN 0.303 nan 8.210 nan 0.000 0.458 383 H N 1.795 121.201 119.070 0.560 0.000 3.038 383 H HA 0.500 5.065 4.556 0.015 0.000 0.289 383 H C 0.716 176.176 175.328 0.221 0.000 1.510 383 H CA -0.425 55.775 56.048 0.253 0.000 1.227 383 H CB 0.441 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 3.884 4.120 0.015 0.000 0.251 384 V C 1.430 177.517 176.094 -0.012 0.000 1.063 384 V CA 1.811 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 -0.244 121.163 121.300 0.177 0.000 2.468 385 W HA -0.014 4.655 4.660 0.015 0.000 0.262 385 W C 2.601 179.065 176.519 -0.091 0.000 1.241 385 W CA 1.181 58.539 57.345 0.021 0.000 1.232 385 W CB -0.454 29.045 29.460 0.064 0.000 1.124 385 W HN 0.356 nan 8.180 nan 0.000 0.597 386 H N -0.982 118.219 119.070 0.219 0.000 2.548 386 H HA 0.004 4.569 4.556 0.015 0.000 0.268 386 H C 1.901 177.320 175.328 0.151 0.000 0.975 386 H CA 1.002 57.124 56.048 0.124 0.000 1.195 386 H CB -0.396 29.381 29.762 0.024 0.000 1.397 386 H HN 0.177 nan 8.280 nan 0.000 0.572 387 M N 1.694 121.437 119.600 0.238 0.000 2.080 387 M HA -0.081 4.408 4.480 0.015 0.000 0.260 387 M C -0.918 175.478 176.300 0.160 0.000 1.068 387 M CA 1.601 57.017 55.300 0.193 0.000 1.109 387 M CB -0.864 31.782 32.600 0.076 0.000 1.342 387 M HN 0.064 nan 8.290 nan 0.000 0.405 388 P HA -0.016 nan 4.420 nan 0.000 0.217 388 P C 1.057 178.439 177.300 0.137 0.000 1.151 388 P CA 2.018 65.171 63.100 0.089 0.000 0.828 388 P CB -0.359 31.351 31.700 0.016 0.000 0.788 389 A N 0.161 123.076 122.820 0.158 0.000 1.898 389 A HA -0.121 4.208 4.320 0.015 0.000 0.216 389 A C 2.386 180.113 177.584 0.238 0.000 1.181 389 A CA 1.291 53.467 52.037 0.232 0.000 0.620 389 A CB -1.603 17.522 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 4.185 4.340 0.015 0.000 0.208 390 L C 2.508 179.564 176.870 0.310 0.000 1.077 390 L CA 1.146 56.175 54.840 0.316 0.000 0.747 390 L CB -0.602 41.631 42.059 0.289 0.000 0.896 390 L HN 0.243 nan 8.230 nan 0.000 0.432 391 V N -0.102 119.951 119.914 0.232 0.000 2.427 391 V HA -0.273 3.856 4.120 0.015 0.000 0.248 391 V C 2.477 178.671 176.094 0.166 0.000 1.051 391 V CA 1.943 64.358 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 0.612 120.934 120.200 0.204 0.000 2.051 392 E HA -0.207 4.152 4.350 0.015 0.000 0.192 392 E C 2.025 178.610 176.600 -0.025 0.000 0.991 392 E CA 1.867 58.373 56.400 0.177 0.000 0.799 392 E CB -0.274 29.772 29.700 0.577 0.000 0.748 392 E HN 0.592 nan 8.360 nan 0.000 0.449 393 I N -0.706 119.816 120.570 -0.080 0.000 2.233 393 I HA -0.177 4.002 4.170 0.015 0.000 0.243 393 I C 1.566 177.404 176.117 -0.465 0.000 1.093 393 I CA 0.964 62.040 61.300 -0.373 0.000 1.380 393 I CB -0.129 37.504 38.000 -0.611 0.000 1.067 393 I HN 0.132 nan 8.210 nan 0.000 0.413 394 F N 0.408 120.360 119.950 0.002 0.000 2.656 394 F HA 0.334 4.871 4.527 0.016 0.000 0.291 394 F C 1.597 177.400 175.800 0.004 0.000 1.122 394 F CA 0.548 58.544 58.000 -0.006 0.000 1.427 394 F CB -0.603 38.392 39.000 -0.009 0.000 1.125 394 F HN 0.146 nan 8.300 nan 0.000 0.583 395 G N 0.710 109.602 108.800 0.154 0.000 2.645 395 G HA2 -0.288 3.681 3.960 0.015 0.000 0.239 395 G HA3 -0.288 3.681 3.960 0.015 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 4.691 4.640 0.015 0.000 0.203 396 D C 0.911 177.255 176.300 0.073 0.000 0.969 396 D CA 1.256 55.304 54.000 0.081 0.000 0.842 396 D CB -0.091 40.753 40.800 0.074 0.000 0.957 396 D HN 0.370 nan 8.370 nan 0.000 0.484 397 D N 0.756 121.200 120.400 0.072 0.000 2.619 397 D HA 0.173 4.822 4.640 0.015 0.000 0.224 397 D C -0.090 176.232 176.300 0.037 0.000 1.133 397 D CA 0.069 54.100 54.000 0.053 0.000 1.017 397 D CB 0.018 40.849 40.800 0.052 0.000 1.077 397 D HN 0.011 nan 8.370 nan 0.000 0.503 398 S N -1.282 114.422 115.700 0.007 0.000 2.588 398 S HA 0.602 5.081 4.470 0.015 0.000 0.269 398 S C -0.966 173.575 174.600 -0.097 0.000 1.157 398 S CA -0.900 57.260 58.200 -0.067 0.000 0.824 398 S CB 1.740 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 1.758 121.560 119.914 -0.186 0.000 2.448 399 V HA 0.522 4.651 4.120 0.015 0.000 0.295 399 V C -0.766 175.215 176.094 -0.189 0.000 1.025 399 V CA -0.639 61.584 62.300 -0.127 0.000 0.859 399 V CB 1.197 32.926 31.823 -0.157 0.000 0.988 399 V HN 0.821 nan 8.190 nan 0.000 0.431 400 L N 5.049 126.212 121.223 -0.100 0.000 2.296 400 L HA 0.617 4.966 4.340 0.015 0.000 0.286 400 L C -0.240 176.494 176.870 -0.226 0.000 1.023 400 L CA -0.401 54.323 54.840 -0.193 0.000 0.812 400 L CB 1.439 43.500 42.059 0.005 0.000 1.223 400 L HN 0.601 nan 8.230 nan 0.000 0.421 401 Q N 3.423 122.924 119.800 -0.499 0.000 2.333 401 Q HA 0.556 4.905 4.340 0.015 0.000 0.267 401 Q C -1.579 174.029 176.000 -0.654 0.000 1.012 401 Q CA -0.526 55.056 55.803 -0.368 0.000 0.824 401 Q CB 2.767 31.378 28.738 -0.212 0.000 1.290 401 Q HN 0.410 nan 8.270 nan 0.000 0.449 402 F N 0.670 120.585 119.950 -0.058 0.000 2.513 402 F HA 0.359 4.896 4.527 0.015 0.000 0.358 402 F C 0.831 176.588 175.800 -0.071 0.000 1.118 402 F CA -0.653 57.302 58.000 -0.075 0.000 1.037 402 F CB 1.399 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 1.571 110.389 108.800 0.029 0.000 2.655 403 G HA2 0.069 4.038 3.960 0.015 0.000 0.217 403 G HA3 0.069 4.038 3.960 0.015 0.000 0.217 403 G C 1.752 176.663 174.900 0.018 0.000 1.279 403 G CA 0.599 45.712 45.100 0.022 0.000 0.870 403 G HN 0.759 nan 8.290 nan 0.000 0.560 404 G N 0.600 109.393 108.800 -0.012 0.000 2.462 404 G HA2 0.091 4.060 3.960 0.015 0.000 0.220 404 G HA3 0.091 4.060 3.960 0.015 0.000 0.220 404 G C 1.623 176.427 174.900 -0.159 0.000 1.121 404 G CA 1.307 46.388 45.100 -0.031 0.000 0.758 404 G HN 0.683 nan 8.290 nan 0.000 0.559 405 G N -0.785 107.881 108.800 -0.224 0.000 2.776 405 G HA2 0.169 4.138 3.960 0.015 0.000 0.209 405 G HA3 0.169 4.138 3.960 0.015 0.000 0.209 405 G C 1.388 176.236 174.900 -0.087 0.000 1.145 405 G CA 1.446 46.301 45.100 -0.409 0.000 0.791 405 G HN 0.397 nan 8.290 nan 0.000 0.530 406 T N 0.172 114.753 114.554 0.044 0.000 3.114 406 T HA 0.097 4.456 4.350 0.015 0.000 0.240 406 T C 1.992 176.774 174.700 0.136 0.000 0.983 406 T CA -0.079 62.072 62.100 0.086 0.000 1.151 406 T CB -0.022 68.875 68.868 0.049 0.000 0.974 406 T HN 0.051 nan 8.240 nan 0.000 0.442 407 L N 1.524 122.810 121.223 0.106 0.000 2.465 407 L HA 0.260 4.609 4.340 0.015 0.000 0.224 407 L C 2.260 179.240 176.870 0.182 0.000 1.145 407 L CA 0.917 55.822 54.840 0.110 0.000 0.834 407 L CB -0.315 41.780 42.059 0.060 0.000 0.944 407 L HN 0.367 nan 8.230 nan 0.000 0.451 408 G N -3.030 105.942 108.800 0.287 0.000 3.189 408 G HA2 -0.105 3.865 3.960 0.015 0.000 0.225 408 G HA3 -0.105 3.865 3.960 0.015 0.000 0.225 408 G C 0.507 175.700 174.900 0.487 0.000 1.159 408 G CA -0.308 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 0.338 0.000 3.253 409 H HA 0.056 4.621 4.556 0.015 0.000 0.250 409 H C -0.975 174.318 175.328 -0.059 0.000 1.051 409 H CA -1.292 54.798 56.048 0.070 0.000 1.458 409 H CB 1.356 31.137 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 0.602 178.020 177.300 0.198 0.000 1.154 410 P CA 1.442 64.461 63.100 -0.136 0.000 0.847 410 P CB -0.089 31.464 31.700 -0.245 0.000 0.769 411 W N -0.729 120.548 121.300 -0.038 0.000 3.127 411 W HA 0.526 5.195 4.660 0.015 0.000 0.344 411 W C 1.320 177.877 176.519 0.064 0.000 1.151 411 W CA 0.537 57.899 57.345 0.027 0.000 1.765 411 W CB -0.498 28.998 29.460 0.061 0.000 1.085 411 W HN 0.117 nan 8.180 nan 0.000 0.596 412 G N 0.939 109.898 108.800 0.265 0.000 2.447 412 G HA2 -0.283 3.686 3.960 0.015 0.000 0.220 412 G HA3 -0.283 3.686 3.960 0.015 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 0.015 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 37.802 38.487 0.029 0.000 1.010 413 N HN 1.057 nan 8.380 nan 0.000 0.425 414 A N 1.528 124.352 122.820 0.007 0.000 1.902 414 A HA -0.044 4.285 4.320 0.015 0.000 0.217 414 A C -0.364 177.177 177.584 -0.070 0.000 1.181 414 A CA 1.321 53.335 52.037 -0.039 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 -0.060 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 1.682 64.695 63.100 -0.144 0.000 0.814 415 P CB -0.510 31.348 31.700 0.263 0.000 0.787 416 G N 0.657 109.189 108.800 -0.447 0.000 2.440 416 G HA2 -0.249 3.720 3.960 0.015 0.000 0.218 416 G HA3 -0.249 3.720 3.960 0.015 0.000 0.218 416 G C 1.748 176.467 174.900 -0.302 0.000 1.154 416 G CA 1.090 45.996 45.100 -0.324 0.000 0.767 416 G HN 0.343 nan 8.290 nan 0.000 0.552 417 A N 0.083 122.778 122.820 -0.208 0.000 1.898 417 A HA 0.013 4.342 4.320 0.015 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 -0.936 17.982 19.000 -0.137 0.000 0.819 417 A HN 0.278 nan 8.150 nan 0.000 0.442 418 T N 0.241 114.654 114.554 -0.235 0.000 2.746 418 T HA -0.029 4.330 4.350 0.015 0.000 0.267 418 T C 2.205 176.761 174.700 -0.240 0.000 1.039 418 T CA 1.524 63.506 62.100 -0.196 0.000 1.142 418 T CB -0.443 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 1.998 124.584 122.820 -0.391 0.000 1.883 419 A HA -0.211 4.118 4.320 0.015 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 -1.335 117.238 118.700 -0.211 0.000 2.142 420 N HA -0.149 4.600 4.740 0.015 0.000 0.186 420 N C 1.962 177.362 175.510 -0.184 0.000 1.023 420 N CA 1.308 54.219 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 1.120 121.535 120.500 -0.141 0.000 2.081 421 R HA -0.003 4.346 4.340 0.015 0.000 0.235 421 R C 1.688 177.945 176.300 -0.071 0.000 1.131 421 R CA 1.055 57.098 56.100 -0.095 0.000 0.960 421 R CB -0.718 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 0.758 120.620 119.914 -0.086 0.000 2.307 422 V HA -0.168 3.961 4.120 0.015 0.000 0.245 422 V C 2.347 178.389 176.094 -0.087 0.000 1.045 422 V CA 1.889 64.158 62.300 -0.052 0.000 1.024 422 V CB -0.933 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 -0.189 122.535 122.820 -0.161 0.000 1.908 423 A HA -0.231 4.098 4.320 0.015 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 -0.172 0.000 0.627 423 A CB -0.581 18.273 19.000 -0.243 0.000 0.818 423 A HN 0.478 nan 8.150 nan 0.000 0.445 424 L N -0.068 121.096 121.223 -0.099 0.000 2.005 424 L HA -0.130 4.219 4.340 0.015 0.000 0.207 424 L C 2.227 179.090 176.870 -0.012 0.000 1.072 424 L CA 2.447 57.258 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 -0.282 119.916 120.200 -0.002 0.000 2.153 425 E HA -0.199 4.160 4.350 0.015 0.000 0.194 425 E C 2.131 178.760 176.600 0.048 0.000 0.988 425 E CA 1.001 57.416 56.400 0.026 0.000 0.811 425 E CB -0.276 29.448 29.700 0.041 0.000 0.746 425 E HN 0.678 nan 8.360 nan 0.000 0.466 426 A N 0.844 123.698 122.820 0.057 0.000 1.902 426 A HA -0.187 4.142 4.320 0.015 0.000 0.217 426 A C 2.424 180.033 177.584 0.042 0.000 1.181 426 A CA 1.153 53.234 52.037 0.074 0.000 0.623 426 A CB -0.755 18.283 19.000 0.063 0.000 0.818 426 A HN 0.335 nan 8.150 nan 0.000 0.443 427 C N -1.447 117.865 119.300 0.021 0.000 2.466 427 C HA -0.012 4.458 4.460 0.015 0.000 0.278 427 C C 2.741 177.754 174.990 0.038 0.000 1.288 427 C CA 0.900 59.934 59.018 0.027 0.000 1.722 427 C CB -1.114 26.641 27.740 0.025 0.000 2.017 427 C HN 0.453 nan 8.230 nan 0.000 0.488 428 V N 0.654 120.589 119.914 0.036 0.000 2.358 428 V HA -0.271 3.858 4.120 0.015 0.000 0.246 428 V C 2.525 178.642 176.094 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 -0.006 119.817 119.800 0.038 0.000 2.061 429 Q HA -0.240 4.109 4.340 0.015 0.000 0.204 429 Q C 2.269 178.291 176.000 0.036 0.000 0.984 429 Q CA 2.199 58.023 55.803 0.036 0.000 0.846 429 Q CB -0.288 28.473 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 4.101 4.320 0.015 0.000 0.216 430 A C 2.157 179.765 177.584 0.039 0.000 1.186 430 A CA 1.572 53.632 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 -0.247 120.279 120.500 0.044 0.000 2.083 431 R HA -0.204 4.145 4.340 0.015 0.000 0.237 431 R C 1.654 177.979 176.300 0.041 0.000 1.137 431 R CA 2.032 58.160 56.100 0.047 0.000 0.951 431 R CB -0.428 29.904 30.300 0.053 0.000 0.851 431 R HN 0.507 nan 8.270 nan 0.000 0.434 432 N N 0.839 119.562 118.700 0.039 0.000 2.289 432 N HA -0.137 4.612 4.740 0.015 0.000 0.184 432 N C 1.099 176.625 175.510 0.027 0.000 1.016 432 N CA 1.232 54.302 53.050 0.033 0.000 0.872 432 N CB -0.066 38.441 38.487 0.033 0.000 0.973 432 N HN 0.450 nan 8.380 nan 0.000 0.433 433 E N -0.928 119.289 120.200 0.027 0.000 2.435 433 E HA 0.121 4.480 4.350 0.015 0.000 0.195 433 E C 0.738 177.352 176.600 0.024 0.000 1.029 433 E CA 0.367 56.780 56.400 0.023 0.000 0.865 433 E CB 0.166 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 1.539 110.356 108.800 0.028 0.000 2.184 434 G HA2 -0.213 3.756 3.960 0.015 0.000 0.206 434 G HA3 -0.213 3.756 3.960 0.015 0.000 0.206 434 G C 0.109 175.029 174.900 0.034 0.000 0.995 434 G CA -0.523 44.595 45.100 0.029 0.000 0.651 434 G HN 0.026 nan 8.290 nan 0.000 0.511 435 R N 0.693 121.214 120.500 0.036 0.000 2.543 435 R HA 0.324 4.673 4.340 0.015 0.000 0.277 435 R C -0.615 175.715 176.300 0.050 0.000 1.074 435 R CA -0.350 55.774 56.100 0.040 0.000 1.076 435 R CB 0.681 31.004 30.300 0.038 0.000 0.993 435 R HN 0.247 nan 8.270 nan 0.000 0.459 436 D N 2.951 123.386 120.400 0.058 0.000 2.336 436 D HA 0.044 4.693 4.640 0.015 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 0.699 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 3.594 124.878 121.223 0.101 0.000 2.131 437 L HA -0.171 4.178 4.340 0.015 0.000 0.210 437 L C 1.708 178.650 176.870 0.119 0.000 1.092 437 L CA 0.853 55.753 54.840 0.099 0.000 0.759 437 L CB -0.445 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 0.807 121.132 120.300 0.042 0.000 2.133 438 Y HA -0.239 4.320 4.550 0.015 0.000 0.287 438 Y C 2.894 178.821 175.900 0.045 0.000 1.134 438 Y CA 1.714 59.839 58.100 0.042 0.000 1.133 438 Y CB -0.167 38.308 38.460 0.025 0.000 0.987 438 Y HN -0.020 nan 8.280 nan 0.000 0.502 439 R N 0.340 120.849 120.500 0.015 0.000 2.119 439 R HA -0.058 4.291 4.340 0.015 0.000 0.222 439 R C 1.120 177.389 176.300 -0.052 0.000 1.088 439 R CA 1.752 57.819 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 -1.036 119.160 120.200 -0.007 0.000 2.498 440 E HA 0.107 4.466 4.350 0.015 0.000 0.203 440 E C 1.384 177.984 176.600 0.001 0.000 1.013 440 E CA 0.176 56.578 56.400 0.003 0.000 0.927 440 E CB 0.960 30.673 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 -0.292 3.677 3.960 0.015 0.000 0.217 441 G HA3 -0.292 3.677 3.960 0.015 0.000 0.217 441 G C 1.517 176.411 174.900 -0.010 0.000 1.168 441 G CA 0.933 46.034 45.100 0.003 0.000 0.771 441 G HN 0.381 nan 8.290 nan 0.000 0.551 442 G N 0.660 109.467 108.800 0.011 0.000 2.440 442 G HA2 -0.187 3.782 3.960 0.015 0.000 0.218 442 G HA3 -0.187 3.782 3.960 0.015 0.000 0.218 442 G C 1.489 176.384 174.900 -0.009 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 0.684 121.085 120.400 0.003 0.000 2.097 443 D HA -0.058 4.591 4.640 0.015 0.000 0.197 443 D C 2.589 178.877 176.300 -0.020 0.000 0.984 443 D CA 0.481 54.480 54.000 -0.001 0.000 0.826 443 D CB -0.201 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 0.853 121.413 120.570 -0.017 0.000 2.264 444 I HA -0.259 3.920 4.170 0.015 0.000 0.248 444 I C 2.457 178.536 176.117 -0.063 0.000 1.111 444 I CA 0.802 62.092 61.300 -0.016 0.000 1.382 444 I CB -0.146 37.852 38.000 -0.003 0.000 1.060 444 I HN -0.023 nan 8.210 nan 0.000 0.418 445 L N -0.286 120.866 121.223 -0.119 0.000 2.072 445 L HA -0.164 4.185 4.340 0.015 0.000 0.205 445 L C 2.759 179.476 176.870 -0.255 0.000 1.079 445 L CA 1.089 55.796 54.840 -0.221 0.000 0.752 445 L CB -0.435 41.433 42.059 -0.318 0.000 0.906 445 L HN 0.093 nan 8.230 nan 0.000 0.436 446 R N 0.356 120.736 120.500 -0.200 0.000 2.083 446 R HA -0.171 4.178 4.340 0.015 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 -0.369 29.893 30.300 -0.063 0.000 0.851 446 R HN 0.378 nan 8.270 nan 0.000 0.434 447 E N -0.344 119.817 120.200 -0.066 0.000 2.033 447 E HA -0.254 4.105 4.350 0.015 0.000 0.199 447 E C 1.992 178.559 176.600 -0.055 0.000 1.011 447 E CA 1.540 57.940 56.400 0.001 0.000 0.815 447 E CB -0.269 29.466 29.700 0.059 0.000 0.755 447 E HN 0.430 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 4.252 4.320 0.015 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 -0.958 17.822 19.000 -0.367 0.000 0.810 448 A HN 0.368 nan 8.150 nan 0.000 0.446 449 G N -0.560 107.937 108.800 -0.505 0.000 2.470 449 G HA2 -0.202 3.767 3.960 0.015 0.000 0.220 449 G HA3 -0.202 3.767 3.960 0.015 0.000 0.220 449 G C 1.567 176.275 174.900 -0.321 0.000 1.121 449 G CA 1.250 46.099 45.100 -0.418 0.000 0.766 449 G HN 0.489 nan 8.290 nan 0.000 0.553 450 K N 0.159 120.413 120.400 -0.243 0.000 2.097 450 K HA -0.040 4.289 4.320 0.015 0.000 0.206 450 K C 2.027 178.636 176.600 0.015 0.000 1.049 450 K CA 1.535 57.783 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 -2.106 119.184 121.300 -0.016 0.000 3.103 451 W HA 0.425 5.094 4.660 0.015 0.000 0.325 451 W C -0.096 176.422 176.519 -0.002 0.000 1.170 451 W CA -0.435 56.907 57.345 -0.006 0.000 1.712 451 W CB -0.100 29.354 29.460 -0.010 0.000 1.068 451 W HN -0.144 nan 8.180 nan 0.000 0.592 452 S N 2.921 118.328 115.700 -0.490 0.000 2.532 452 S HA 0.365 4.844 4.470 0.015 0.000 0.318 452 S C -1.469 173.009 174.600 -0.203 0.000 1.083 452 S CA -1.328 56.654 58.200 -0.363 0.000 1.131 452 S CB 1.253 64.017 63.200 -0.725 0.000 0.973 452 S HN -0.303 nan 8.310 nan 0.000 0.468 453 P HA -0.152 nan 4.420 nan 0.000 0.216 453 P C 1.379 178.619 177.300 -0.100 0.000 1.150 453 P CA 1.025 64.160 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 -0.328 119.823 120.200 -0.082 0.000 2.152 454 E HA -0.130 4.229 4.350 0.015 0.000 0.192 454 E C 1.980 178.573 176.600 -0.011 0.000 0.983 454 E CA 0.841 57.123 56.400 -0.197 0.000 0.818 454 E CB -1.348 28.315 29.700 -0.061 0.000 0.758 454 E HN 0.213 nan 8.360 nan 0.000 0.467 455 L N 1.601 122.727 121.223 -0.161 0.000 2.056 455 L HA 0.052 4.401 4.340 0.015 0.000 0.207 455 L C 2.440 179.150 176.870 -0.266 0.000 1.078 455 L CA 1.937 56.653 54.840 -0.207 0.000 0.749 455 L CB -0.829 41.026 42.059 -0.340 0.000 0.901 455 L HN 0.111 nan 8.230 nan 0.000 0.433 456 A N -0.250 122.403 122.820 -0.278 0.000 1.908 456 A HA -0.139 4.190 4.320 0.015 0.000 0.218 456 A C 2.468 179.876 177.584 -0.293 0.000 1.181 456 A CA 1.920 53.805 52.037 -0.253 0.000 0.627 456 A CB -1.219 17.675 19.000 -0.177 0.000 0.818 456 A HN 0.584 nan 8.150 nan 0.000 0.445 457 A N -0.307 122.254 122.820 -0.432 0.000 1.933 457 A HA 0.151 4.480 4.320 0.015 0.000 0.218 457 A C 2.473 179.664 177.584 -0.655 0.000 1.175 457 A CA 2.137 53.806 52.037 -0.613 0.000 0.628 457 A CB -0.893 17.421 19.000 -1.144 0.000 0.814 457 A HN 1.034 nan 8.150 nan 0.000 0.444 458 A N -0.351 122.099 122.820 -0.615 0.000 1.897 458 A HA 0.068 4.398 4.320 0.015 0.000 0.215 458 A C 2.144 179.570 177.584 -0.265 0.000 1.181 458 A CA 1.256 52.996 52.037 -0.495 0.000 0.620 458 A CB -0.567 18.391 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 -0.256 0.000 2.042 459 L HA -0.229 4.120 4.340 0.015 0.000 0.210 459 L C 2.166 179.154 176.870 0.197 0.000 1.076 459 L CA 1.568 56.237 54.840 -0.285 0.000 0.749 459 L CB -0.686 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 -0.082 120.315 120.400 -0.006 0.000 2.097 460 D HA -0.188 4.461 4.640 0.015 0.000 0.195 460 D C 2.092 178.330 176.300 -0.103 0.000 0.989 460 D CA 1.151 55.154 54.000 0.004 0.000 0.827 460 D CB -0.116 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 -0.349 120.665 121.223 -0.349 0.000 2.046 461 L HA -0.119 4.230 4.340 0.015 0.000 0.208 461 L C 1.286 177.857 176.870 -0.499 0.000 1.077 461 L CA 1.436 55.915 54.840 -0.601 0.000 0.747 461 L CB -0.300 41.053 42.059 -1.177 0.000 0.896 461 L HN 0.155 nan 8.230 nan 0.000 0.432 462 W N -0.425 120.771 121.300 -0.173 0.000 2.966 462 W HA 0.255 4.925 4.660 0.016 0.000 0.406 462 W C 1.590 177.846 176.519 -0.438 0.000 1.027 462 W CA -0.549 56.488 57.345 -0.513 0.000 1.930 462 W CB -0.528 28.344 29.460 -0.980 0.000 1.144 462 W HN 0.206 nan 8.180 nan 0.000 0.626 463 K N 1.545 121.963 120.400 0.031 0.000 2.642 463 K HA -0.152 4.177 4.320 0.015 0.000 0.194 463 K C -0.322 175.937 176.600 -0.569 0.000 1.039 463 K CA 1.252 57.020 56.287 -0.864 0.000 0.947 463 K CB 0.152 32.256 32.500 -0.660 0.000 0.784 463 K HN -0.118 nan 8.250 nan 0.000 0.491 464 E N 0.360 120.430 120.200 -0.216 0.000 2.649 464 E HA 0.056 4.415 4.350 0.015 0.000 0.308 464 E C -0.801 175.828 176.600 0.048 0.000 1.017 464 E CA -0.619 55.757 56.400 -0.042 0.000 0.848 464 E CB 0.742 30.475 29.700 0.056 0.000 1.240 464 E HN 0.055 nan 8.360 nan 0.000 0.421 465 I N 1.588 122.177 120.570 0.031 0.000 4.637 465 I HA -0.350 3.829 4.170 0.015 0.000 0.126 465 I C 0.159 176.356 176.117 0.134 0.000 1.134 465 I CA 1.309 62.664 61.300 0.092 0.000 2.675 465 I CB -1.061 37.012 38.000 0.122 0.000 1.781 465 I HN 0.536 nan 8.210 nan 0.000 0.328 466 K N 6.253 126.710 120.400 0.095 0.000 2.208 466 K HA 0.667 4.997 4.320 0.015 0.000 0.247 466 K C -0.283 176.284 176.600 -0.056 0.000 0.953 466 K CA -0.962 55.337 56.287 0.020 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 1.078 120.968 119.950 -0.100 0.000 2.259 467 F HA -0.252 4.284 4.527 0.015 0.000 0.309 467 F C -0.394 175.338 175.800 -0.114 0.000 1.079 467 F CA 0.804 58.743 58.000 -0.102 0.000 1.099 467 F CB -1.144 37.857 39.000 0.002 0.000 1.521 467 F HN 0.576 nan 8.300 nan 0.000 0.783 468 E N 1.713 121.489 120.200 -0.706 0.000 2.397 468 E HA 0.369 4.728 4.350 0.015 0.000 0.293 468 E C -0.469 175.787 176.600 -0.574 0.000 0.930 468 E CA -0.632 55.423 56.400 -0.575 0.000 0.793 468 E CB 0.920 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 0.989 120.944 119.950 0.008 0.000 2.637 469 F HA 0.190 4.726 4.527 0.015 0.000 0.284 469 F C 1.073 176.902 175.800 0.049 0.000 1.105 469 F CA 0.245 58.285 58.000 0.067 0.000 1.356 469 F CB 0.536 39.611 39.000 0.126 0.000 1.096 469 F HN 0.585 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 4.139 4.350 0.015 0.000 0.169 470 E C -0.625 176.332 176.600 0.594 0.000 1.453 470 E CA 0.625 57.247 56.400 0.370 0.000 2.527 470 E CB -0.549 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 1.915 116.527 114.554 0.097 0.000 2.930 471 T HA 0.093 4.452 4.350 0.015 0.000 0.306 471 T C 1.115 175.843 174.700 0.046 0.000 1.045 471 T CA 0.051 62.186 62.100 0.059 0.000 1.134 471 T CB 0.530 69.424 68.868 0.045 0.000 0.961 471 T HN 0.274 nan 8.240 nan 0.000 0.545 472 M N 1.568 121.187 119.600 0.032 0.000 2.156 472 M HA 0.105 4.594 4.480 0.015 0.000 0.238 472 M C 1.344 177.655 176.300 0.019 0.000 1.165 472 M CA 0.571 55.884 55.300 0.023 0.000 1.153 472 M CB -1.560 31.050 32.600 0.017 0.000 1.200 472 M HN 0.532 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 4.569 4.640 0.015 0.000 0.236 473 D C -0.436 175.871 176.300 0.011 0.000 1.135 473 D CA 0.493 54.499 54.000 0.011 0.000 1.515 473 D CB -0.423 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 1.417 121.823 120.400 0.011 0.000 2.185 474 K HA 0.262 4.591 4.320 0.015 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 4.349 4.340 0.015 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