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_E 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 0.611 4.940 4.320 0.015 0.000 0.263 10 A C 0.975 178.585 177.584 0.044 0.000 1.096 10 A CA 0.159 52.219 52.037 0.039 0.000 0.769 10 A CB -0.730 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 3.133 125.980 122.820 0.045 0.000 2.476 11 A HA 0.530 4.860 4.320 0.015 0.000 0.263 11 A C 1.184 178.798 177.584 0.050 0.000 1.342 11 A CA 0.576 52.635 52.037 0.037 0.000 0.926 11 A CB -1.205 17.809 19.000 0.024 0.000 1.019 11 A HN 2.746 nan 8.150 nan 0.000 0.515 12 G N -1.145 107.699 108.800 0.074 0.000 2.879 12 G HA2 -0.102 3.867 3.960 0.015 0.000 0.686 12 G HA3 -0.102 3.867 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 -0.255 44.901 45.100 0.093 0.000 0.770 12 G HN 1.207 nan 8.290 nan 0.000 0.601 13 Y N 2.993 123.315 120.300 0.037 0.000 2.425 13 Y HA 0.596 5.156 4.550 0.016 0.000 0.347 13 Y C 0.581 176.496 175.900 0.025 0.000 0.976 13 Y CA -1.354 56.777 58.100 0.052 0.000 1.190 13 Y CB 0.754 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 5.310 125.580 120.400 -0.218 0.000 2.367 14 K HA 0.799 5.129 4.320 0.015 0.000 0.263 14 K C -0.504 175.784 176.600 -0.520 0.000 1.000 14 K CA -0.677 55.388 56.287 -0.369 0.000 0.891 14 K CB 1.266 33.672 32.500 -0.157 0.000 1.117 14 K HN 0.587 nan 8.250 nan 0.000 0.443 15 A N 2.781 125.125 122.820 -0.793 0.000 2.406 15 A HA 0.670 4.999 4.320 0.015 0.000 0.243 15 A C 0.710 178.159 177.584 -0.226 0.000 1.082 15 A CA 0.656 52.394 52.037 -0.498 0.000 0.786 15 A CB -0.308 18.461 19.000 -0.385 0.000 1.029 15 A HN 1.207 nan 8.150 nan 0.000 0.495 16 G N -1.356 107.354 108.800 -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 -0.127 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 1.567 121.427 119.914 -0.091 0.000 2.488 17 V HA 0.441 4.571 4.120 0.015 0.000 0.277 17 V C 0.703 176.753 176.094 -0.074 0.000 1.046 17 V CA 0.108 62.357 62.300 -0.086 0.000 0.986 17 V CB 1.009 32.841 31.823 0.015 0.000 0.989 17 V HN 0.686 nan 8.190 nan 0.000 0.475 18 K N 2.469 122.806 120.400 -0.106 0.000 2.238 18 K HA 0.449 4.778 4.320 0.015 0.000 0.239 18 K C -0.953 175.574 176.600 -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 -0.027 4.622 4.640 0.015 0.000 0.241 19 D C 0.833 177.147 176.300 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 2.298 178.310 175.900 0.186 0.000 1.146 20 Y CA 1.307 59.496 58.100 0.149 0.000 1.182 20 Y CB -0.271 38.209 38.460 0.034 0.000 0.983 20 Y HN 0.459 nan 8.280 nan 0.000 0.524 21 K N 0.284 120.842 120.400 0.265 0.000 2.442 21 K HA -0.076 4.254 4.320 0.015 0.000 0.198 21 K C 1.478 178.197 176.600 0.199 0.000 1.042 21 K CA 1.229 57.651 56.287 0.224 0.000 0.958 21 K CB -0.527 32.041 32.500 0.114 0.000 0.766 21 K HN 0.327 nan 8.250 nan 0.000 0.474 22 L N 1.059 122.364 121.223 0.137 0.000 2.201 22 L HA -0.085 4.264 4.340 0.015 0.000 0.212 22 L C 1.596 178.480 176.870 0.023 0.000 1.105 22 L CA 1.329 56.213 54.840 0.074 0.000 0.775 22 L CB -0.375 41.708 42.059 0.041 0.000 0.913 22 L HN 0.356 nan 8.230 nan 0.000 0.440 23 T N -2.949 111.608 114.554 0.006 0.000 3.018 23 T HA 0.029 4.388 4.350 0.015 0.000 0.246 23 T C 1.079 175.568 174.700 -0.351 0.000 1.026 23 T CA 0.421 62.377 62.100 -0.239 0.000 1.081 23 T CB 0.100 68.702 68.868 -0.443 0.000 0.970 23 T HN 0.138 nan 8.240 nan 0.000 0.475 24 Y N -0.522 119.818 120.300 0.067 0.000 2.445 24 Y HA 0.412 4.971 4.550 0.015 0.000 0.247 24 Y C 0.034 175.981 175.900 0.078 0.000 1.129 24 Y CA -1.283 56.837 58.100 0.032 0.000 1.251 24 Y CB 0.491 38.958 38.460 0.011 0.000 1.176 24 Y HN 0.157 nan 8.280 nan 0.000 0.522 25 Y N 2.299 122.653 120.300 0.091 0.000 2.404 25 Y HA 0.404 4.963 4.550 0.015 0.000 0.344 25 Y C 0.075 176.010 175.900 0.059 0.000 0.970 25 Y CA -1.375 56.762 58.100 0.063 0.000 1.180 25 Y CB 0.645 39.136 38.460 0.051 0.000 1.138 25 Y HN 0.043 nan 8.280 nan 0.000 0.510 26 T N 5.633 120.016 114.554 -0.284 0.000 3.504 26 T HA 0.257 4.616 4.350 0.015 0.000 0.286 26 T C -2.281 172.314 174.700 -0.174 0.000 1.530 26 T CA -1.647 60.333 62.100 -0.201 0.000 1.652 26 T CB 0.899 69.731 68.868 -0.060 0.000 0.895 26 T HN 0.465 nan 8.240 nan 0.000 0.674 27 P HA 0.031 nan 4.420 nan 0.000 0.228 27 P C 0.200 177.510 177.300 0.018 0.000 1.151 27 P CA 0.777 63.759 63.100 -0.198 0.000 0.770 27 P CB 0.196 31.720 31.700 -0.294 0.000 0.786 28 D N -2.108 118.296 120.400 0.006 0.000 2.340 28 D HA 0.030 4.679 4.640 0.015 0.000 0.217 28 D C 0.131 176.470 176.300 0.065 0.000 1.081 28 D CA -0.224 53.796 54.000 0.034 0.000 0.842 28 D CB -0.627 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 1.252 121.544 120.300 -0.013 0.000 2.377 29 Y HA 0.259 4.818 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 -0.140 57.933 58.100 -0.046 0.000 1.308 29 Y CB 0.717 39.162 38.460 -0.025 0.000 1.216 29 Y HN -0.285 nan 8.280 nan 0.000 0.518 30 T N 9.407 123.468 114.554 -0.822 0.000 2.756 30 T HA 0.318 4.677 4.350 0.015 0.000 0.290 30 T C -2.611 171.428 174.700 -1.103 0.000 0.985 30 T CA -1.421 60.238 62.100 -0.735 0.000 0.955 30 T CB 0.940 69.563 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 0.005 177.108 177.300 -0.329 0.000 1.193 31 P CA -0.243 62.533 63.100 -0.539 0.000 0.765 31 P CB 0.594 32.035 31.700 -0.431 0.000 0.823 32 K N 1.872 122.172 120.400 -0.167 0.000 2.107 32 K HA 0.123 4.452 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 32.912 32.500 -0.024 0.000 1.033 32 K HN 0.362 nan 8.250 nan 0.000 0.478 33 D N 0.595 120.965 120.400 -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 -2.492 112.063 114.554 0.001 0.000 3.081 34 T HA 0.028 4.388 4.350 0.015 0.000 0.250 34 T C 0.573 175.308 174.700 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 -0.170 176.152 176.300 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 3.612 124.894 121.223 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 -0.221 54.573 54.840 -0.077 0.000 0.815 36 L CB -0.006 41.929 42.059 -0.207 0.000 1.162 36 L HN 0.285 nan 8.230 nan 0.000 0.435 37 L N 5.103 126.181 121.223 -0.241 0.000 2.325 37 L HA 0.794 5.143 4.340 0.015 0.000 0.278 37 L C -0.028 176.669 176.870 -0.287 0.000 1.023 37 L CA -0.625 54.081 54.840 -0.224 0.000 0.811 37 L CB 1.619 43.300 42.059 -0.630 0.000 1.249 37 L HN 0.761 nan 8.230 nan 0.000 0.431 38 A N 1.990 124.871 122.820 0.102 0.000 2.393 38 A HA 0.874 5.203 4.320 0.015 0.000 0.306 38 A C -0.791 176.884 177.584 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 1.813 124.583 122.820 -0.084 0.000 2.273 39 A HA 0.752 5.081 4.320 0.015 0.000 0.315 39 A C -1.066 176.212 177.584 -0.510 0.000 1.256 39 A CA -0.274 51.477 52.037 -0.477 0.000 0.851 39 A CB -0.082 18.353 19.000 -0.941 0.000 1.172 39 A HN 0.631 nan 8.150 nan 0.000 0.508 40 F N 1.338 121.158 119.950 -0.216 0.000 2.450 40 F HA 0.579 5.115 4.527 0.015 0.000 0.332 40 F C 0.835 176.697 175.800 0.104 0.000 1.093 40 F CA -0.449 57.515 58.000 -0.060 0.000 1.003 40 F CB 1.717 40.681 39.000 -0.059 0.000 1.151 40 F HN 0.535 nan 8.300 nan 0.000 0.474 41 R N 4.085 124.770 120.500 0.308 0.000 2.295 41 R HA 0.518 4.868 4.340 0.015 0.000 0.324 41 R C -1.758 174.645 176.300 0.170 0.000 0.968 41 R CA -0.402 55.792 56.100 0.157 0.000 0.837 41 R CB 0.845 31.214 30.300 0.114 0.000 1.133 41 R HN 0.681 nan 8.270 nan 0.000 0.450 42 F N -0.118 119.810 119.950 -0.037 0.000 2.613 42 F HA 0.600 5.136 4.527 0.015 0.000 0.314 42 F C -1.324 174.493 175.800 0.028 0.000 1.075 42 F CA -0.953 57.029 58.000 -0.031 0.000 0.945 42 F CB 1.926 40.870 39.000 -0.094 0.000 1.310 42 F HN 0.139 nan 8.300 nan 0.000 0.467 43 S N 3.394 119.192 115.700 0.163 0.000 2.596 43 S HA 0.534 5.013 4.470 0.015 0.000 0.318 43 S C -2.850 171.890 174.600 0.233 0.000 1.097 43 S CA -1.242 57.028 58.200 0.117 0.000 1.080 43 S CB 1.599 64.830 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 1.947 121.797 119.800 0.084 0.000 2.395 45 Q HA 0.122 4.471 4.340 0.015 0.000 0.271 45 Q C -1.794 174.236 176.000 0.050 0.000 1.026 45 Q CA -1.201 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 0.578 177.895 177.300 0.027 0.000 1.172 46 P CA 1.177 64.296 63.100 0.032 0.000 0.760 46 P CB 0.189 31.903 31.700 0.023 0.000 0.773 47 G N 1.764 110.579 108.800 0.026 0.000 2.213 47 G HA2 -0.197 3.772 3.960 0.015 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 -0.152 44.960 45.100 0.020 0.000 0.629 47 G HN 0.536 nan 8.290 nan 0.000 0.517 48 V N 3.953 123.882 119.914 0.025 0.000 2.348 48 V HA 0.472 4.601 4.120 0.015 0.000 0.270 48 V C -1.275 174.816 176.094 -0.005 0.000 1.037 48 V CA -1.440 60.872 62.300 0.019 0.000 0.872 48 V CB 1.333 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 0.679 177.893 177.300 -0.142 0.000 1.209 49 P CA -0.116 62.936 63.100 -0.080 0.000 0.776 49 P CB 1.264 32.919 31.700 -0.075 0.000 0.876 50 A N 3.271 125.937 122.820 -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 2.094 53.918 52.037 -0.354 0.000 0.631 50 A CB -1.172 17.243 19.000 -0.975 0.000 0.814 50 A HN 0.650 nan 8.150 nan 0.000 0.446 51 D N -0.294 119.891 120.400 -0.359 0.000 2.224 51 D HA -0.144 4.505 4.640 0.015 0.000 0.205 51 D C 1.611 177.661 176.300 -0.418 0.000 0.965 51 D CA 1.426 55.073 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 1.109 121.164 120.200 -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 1.494 57.823 56.400 -0.118 0.000 0.803 52 E CB -0.487 29.194 29.700 -0.032 0.000 0.755 52 E HN 0.231 nan 8.360 nan 0.000 0.453 53 A N 0.321 122.998 122.820 -0.239 0.000 1.902 53 A HA -0.024 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 1.739 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 -0.598 107.799 108.800 -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 1.707 176.362 174.900 -0.409 0.000 1.146 54 G CA 1.374 46.105 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 4.668 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 2.037 53.991 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 0.032 122.470 122.820 -0.636 0.000 1.933 56 A HA -0.060 4.269 4.320 0.015 0.000 0.218 56 A C 2.091 178.994 177.584 -1.134 0.000 1.175 56 A CA 1.464 52.754 52.037 -1.244 0.000 0.628 56 A CB -0.574 17.826 19.000 -1.000 0.000 0.814 56 A HN 0.496 nan 8.150 nan 0.000 0.444 57 I N -0.242 119.792 120.570 -0.892 0.000 2.179 57 I HA -0.275 3.905 4.170 0.015 0.000 0.242 57 I C 2.980 178.733 176.117 -0.608 0.000 1.088 57 I CA 1.096 61.896 61.300 -0.834 0.000 1.357 57 I CB -0.366 37.065 38.000 -0.948 0.000 1.051 57 I HN 0.346 nan 8.210 nan 0.000 0.409 58 A N 0.728 123.251 122.820 -0.495 0.000 1.902 58 A HA -0.169 4.160 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 1.945 53.775 52.037 -0.345 0.000 0.623 58 A CB -0.839 18.038 19.000 -0.204 0.000 0.818 58 A HN 0.441 nan 8.150 nan 0.000 0.443 59 A N -0.429 121.895 122.820 -0.828 0.000 1.855 59 A HA -0.117 4.212 4.320 0.015 0.000 0.215 59 A C 1.816 179.033 177.584 -0.611 0.000 1.191 59 A CA 1.491 52.782 52.037 -1.244 0.000 0.613 59 A CB -0.393 17.829 19.000 -1.297 0.000 0.829 59 A HN 0.457 nan 8.150 nan 0.000 0.442 60 E N 0.398 120.261 120.200 -0.561 0.000 2.502 60 E HA -0.013 4.346 4.350 0.015 0.000 0.194 60 E C 1.208 177.707 176.600 -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 0.132 4.611 4.470 0.015 0.000 0.231 61 S C 1.407 176.100 174.600 0.156 0.000 0.994 61 S CA 0.195 58.423 58.200 0.047 0.000 0.956 61 S CB 0.357 63.643 63.200 0.144 0.000 0.870 61 S HN 0.138 nan 8.310 nan 0.000 0.494 62 S N 1.578 117.321 115.700 0.071 0.000 3.889 62 S HA 0.176 4.655 4.470 0.015 0.000 0.185 62 S C 1.375 176.001 174.600 0.042 0.000 0.937 62 S CA 0.607 58.873 58.200 0.110 0.000 0.985 62 S CB -0.244 63.058 63.200 0.170 0.000 1.299 62 S HN 0.518 nan 8.310 nan 0.000 0.673 63 T N -1.086 113.498 114.554 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 0.357 62.504 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 0.701 nan 8.240 nan 0.000 0.517 64 G N 0.252 109.062 108.800 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 -0.902 174.058 174.900 0.100 0.000 1.170 64 G CA -0.284 44.858 45.100 0.070 0.000 0.935 64 G HN 0.277 nan 8.290 nan 0.000 0.492 65 T N -1.089 113.561 114.554 0.160 0.000 2.626 65 T HA 0.420 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 0.147 0.000 1.396 65 T HN 0.684 nan 8.240 nan 0.000 0.519 66 W N 0.682 122.070 121.300 0.146 0.000 2.678 66 W HA 0.305 4.974 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 0.431 57.809 57.345 0.055 0.000 1.345 66 W CB -1.043 28.468 29.460 0.086 0.000 1.118 66 W HN 0.527 nan 8.180 nan 0.000 0.629 67 T N 0.901 114.986 114.554 -0.783 0.000 2.883 67 T HA 0.338 4.698 4.350 0.015 0.000 0.296 67 T C -0.506 173.960 174.700 -0.390 0.000 1.117 67 T CA -0.324 61.341 62.100 -0.725 0.000 1.006 67 T CB 1.884 69.958 68.868 -1.324 0.000 1.191 67 T HN -0.230 nan 8.240 nan 0.000 0.508 68 T N 2.585 117.010 114.554 -0.216 0.000 2.834 68 T HA 0.471 4.830 4.350 0.015 0.000 0.298 68 T C 0.138 174.881 174.700 0.072 0.000 0.966 68 T CA -0.369 61.707 62.100 -0.040 0.000 1.141 68 T CB 0.117 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 2.763 122.700 119.914 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 33.212 31.823 -0.198 0.000 1.007 69 V HN 1.030 nan 8.190 nan 0.000 0.437 70 W N 2.141 123.100 121.300 -0.569 0.000 2.519 70 W HA -0.053 4.616 4.660 0.015 0.000 0.266 70 W C 1.375 177.693 176.519 -0.335 0.000 1.253 70 W CA 1.273 58.136 57.345 -0.803 0.000 1.274 70 W CB -1.698 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 -0.761 113.108 114.554 -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 1.598 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 1.823 122.052 120.400 -0.284 0.000 2.172 72 D HA -0.059 4.590 4.640 0.015 0.000 0.196 72 D C 1.724 177.980 176.300 -0.072 0.000 0.999 72 D CA 0.875 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 -0.085 121.107 121.223 -0.052 0.000 2.554 73 L HA 0.060 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 -0.039 42.064 42.059 0.073 0.000 0.985 73 L HN 0.044 nan 8.230 nan 0.000 0.451 74 L N -1.220 119.988 121.223 -0.025 0.000 2.395 74 L HA 0.023 4.372 4.340 0.015 0.000 0.218 74 L C 1.252 178.118 176.870 -0.007 0.000 1.130 74 L CA 0.559 55.393 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 -2.173 112.378 114.554 -0.006 0.000 2.693 75 T HA 0.194 4.553 4.350 0.015 0.000 0.278 75 T C -1.430 173.315 174.700 0.075 0.000 0.994 75 T CA -0.588 61.538 62.100 0.044 0.000 1.033 75 T CB 1.883 70.764 68.868 0.022 0.000 1.342 75 T HN -0.146 nan 8.240 nan 0.000 0.538 76 D N 2.197 122.687 120.400 0.150 0.000 2.493 76 D HA 0.259 4.908 4.640 0.015 0.000 0.235 76 D C 1.271 177.631 176.300 0.100 0.000 1.117 76 D CA -0.420 53.626 54.000 0.078 0.000 0.930 76 D CB 0.281 41.089 40.800 0.013 0.000 1.010 76 D HN 0.306 nan 8.370 nan 0.000 0.514 77 M N 1.510 121.148 119.600 0.064 0.000 2.213 77 M HA -0.114 4.375 4.480 0.015 0.000 0.263 77 M C 1.062 177.352 176.300 -0.017 0.000 1.062 77 M CA 1.192 56.525 55.300 0.055 0.000 1.105 77 M CB -0.531 32.065 32.600 -0.008 0.000 1.385 77 M HN 0.347 nan 8.290 nan 0.000 0.417 78 D N -0.262 120.098 120.400 -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 1.088 55.024 54.000 -0.108 0.000 0.842 78 D CB 0.003 40.749 40.800 -0.089 0.000 0.948 78 D HN 0.286 nan 8.370 nan 0.000 0.472 79 R N -1.047 119.326 120.500 -0.212 0.000 2.148 79 R HA -0.101 4.248 4.340 0.015 0.000 0.223 79 R C 1.026 177.052 176.300 -0.457 0.000 1.088 79 R CA 1.199 57.061 56.100 -0.397 0.000 0.985 79 R CB -0.023 29.899 30.300 -0.631 0.000 0.880 79 R HN 0.261 nan 8.270 nan 0.000 0.451 80 Y N 0.523 120.797 120.300 -0.043 0.000 2.498 80 Y HA 0.186 4.745 4.550 0.015 0.000 0.259 80 Y C 0.098 175.987 175.900 -0.018 0.000 1.086 80 Y CA -0.256 57.824 58.100 -0.035 0.000 1.287 80 Y CB 0.228 38.667 38.460 -0.035 0.000 1.146 80 Y HN -0.033 nan 8.280 nan 0.000 0.523 81 K N 1.067 121.525 120.400 0.097 0.000 2.326 81 K HA 0.386 4.715 4.320 0.015 0.000 0.275 81 K C 0.601 177.231 176.600 0.050 0.000 1.018 81 K CA -0.095 56.270 56.287 0.130 0.000 0.962 81 K CB 0.744 33.258 32.500 0.023 0.000 0.953 81 K HN 0.118 nan 8.250 nan 0.000 0.475 82 G N 2.238 111.091 108.800 0.088 0.000 2.491 82 G HA2 0.144 4.113 3.960 0.015 0.000 0.242 82 G HA3 0.144 4.113 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 -0.725 44.273 45.100 -0.170 0.000 0.844 82 G HN 0.609 nan 8.290 nan 0.000 0.571 83 K N 1.238 121.513 120.400 -0.208 0.000 2.604 83 K HA 0.251 4.580 4.320 0.015 0.000 0.247 83 K C -0.857 175.777 176.600 0.057 0.000 0.956 83 K CA -0.595 55.622 56.287 -0.117 0.000 0.896 83 K CB 1.786 34.040 32.500 -0.409 0.000 1.131 83 K HN 0.443 nan 8.250 nan 0.000 0.440 84 C N 5.027 124.384 119.300 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 26.334 27.740 0.161 0.000 2.257 84 C HN 0.959 nan 8.230 nan 0.000 0.568 85 Y N 2.671 123.115 120.300 0.239 0.000 2.444 85 Y HA 0.458 5.018 4.550 0.015 0.000 0.249 85 Y C 0.757 176.850 175.900 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 -1.972 173.543 175.328 0.311 0.000 1.134 86 H CA -0.845 55.268 56.048 0.109 0.000 1.248 86 H CB 1.945 31.679 29.762 -0.047 0.000 1.878 86 H HN 0.136 nan 8.280 nan 0.000 0.527 87 I N 4.109 124.532 120.570 -0.244 0.000 2.582 87 I HA 0.230 4.410 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 -0.052 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 6.935 127.189 120.200 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 32.352 29.700 0.332 0.000 1.207 88 E HN 0.117 nan 8.360 nan 0.000 0.426 89 P HA -0.015 nan 4.420 nan 0.000 0.268 89 P C 0.036 177.229 177.300 -0.178 0.000 1.205 89 P CA -0.364 62.619 63.100 -0.195 0.000 0.771 89 P CB 0.856 32.449 31.700 -0.180 0.000 0.858 90 V N 2.305 121.980 119.914 -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 0.192 62.310 62.300 -0.303 0.000 1.033 90 V CB -0.505 31.020 31.823 -0.496 0.000 0.993 90 V HN 0.733 nan 8.190 nan 0.000 0.477 91 Q N 3.659 123.438 119.800 -0.036 0.000 2.247 91 Q HA 0.411 4.760 4.340 0.015 0.000 0.288 91 Q C 1.416 177.389 176.000 -0.044 0.000 1.079 91 Q CA 0.555 56.342 55.803 -0.026 0.000 0.932 91 Q CB -0.197 28.553 28.738 0.020 0.000 1.133 91 Q HN 2.072 nan 8.270 nan 0.000 0.377 92 G N 1.333 110.098 108.800 -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 0.008 174.864 174.900 -0.073 0.000 0.979 92 G CA 0.279 45.348 45.100 -0.052 0.000 0.641 92 G HN 0.823 nan 8.290 nan 0.000 0.530 93 E N 0.777 120.907 120.200 -0.117 0.000 2.224 93 E HA 0.409 4.768 4.350 0.015 0.000 0.265 93 E C -0.086 176.401 176.600 -0.189 0.000 0.878 93 E CA -0.733 55.584 56.400 -0.138 0.000 0.759 93 E CB 1.293 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 2.489 122.602 120.200 -0.145 0.000 2.344 94 E HA 0.079 4.438 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 -0.548 55.764 56.400 -0.146 0.000 0.887 94 E CB 0.391 30.041 29.700 -0.083 0.000 0.997 94 E HN 0.495 nan 8.360 nan 0.000 0.429 95 N N 1.165 119.725 118.700 -0.232 0.000 2.740 95 N HA -0.214 4.535 4.740 0.015 0.000 0.248 95 N C -1.831 173.503 175.510 -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 0.190 115.502 115.700 -0.646 0.000 2.557 96 S HA 0.745 5.224 4.470 0.015 0.000 0.291 96 S C -1.500 172.485 174.600 -1.025 0.000 1.116 96 S CA -0.501 57.328 58.200 -0.618 0.000 0.992 96 S CB 0.584 63.530 63.200 -0.424 0.000 1.028 96 S HN 0.262 nan 8.310 nan 0.000 0.484 97 Y N 1.955 121.770 120.300 -0.808 0.000 2.581 97 Y HA 0.631 5.190 4.550 0.015 0.000 0.345 97 Y C -0.823 174.629 175.900 -0.746 0.000 1.036 97 Y CA -1.129 56.495 58.100 -0.794 0.000 1.042 97 Y CB 0.954 38.853 38.460 -0.935 0.000 1.289 97 Y HN 0.526 nan 8.280 nan 0.000 0.471 98 F N 1.398 121.356 119.950 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 56.938 58.000 0.036 0.000 1.069 98 F CB 1.189 40.239 39.000 0.082 0.000 1.124 98 F HN 0.503 nan 8.300 nan 0.000 0.472 99 A N 4.326 127.362 122.820 0.360 0.000 2.304 99 A HA 0.772 5.101 4.320 0.015 0.000 0.323 99 A C -1.395 176.189 177.584 0.000 0.000 1.195 99 A CA -0.428 51.775 52.037 0.278 0.000 0.826 99 A CB 0.199 19.341 19.000 0.237 0.000 1.184 99 A HN 0.528 nan 8.150 nan 0.000 0.496 100 F N 2.076 122.079 119.950 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 -0.416 57.565 58.000 -0.031 0.000 1.033 100 F CB 1.542 40.416 39.000 -0.211 0.000 1.126 100 F HN 0.323 nan 8.300 nan 0.000 0.462 101 I N 2.893 123.622 120.570 0.264 0.000 2.498 101 I HA 0.628 4.807 4.170 0.015 0.000 0.290 101 I C -0.528 175.785 176.117 0.327 0.000 1.032 101 I CA -0.999 60.436 61.300 0.224 0.000 1.073 101 I CB 1.967 40.027 38.000 0.100 0.000 1.251 101 I HN 0.651 nan 8.210 nan 0.000 0.426 102 A N 6.055 129.041 122.820 0.276 0.000 2.292 102 A HA 0.760 5.089 4.320 0.015 0.000 0.319 102 A C -1.516 175.997 177.584 -0.119 0.000 1.206 102 A CA -0.230 51.911 52.037 0.175 0.000 0.835 102 A CB 0.384 19.521 19.000 0.228 0.000 1.164 102 A HN 0.583 nan 8.150 nan 0.000 0.505 103 Y N 2.253 122.660 120.300 0.178 0.000 2.341 103 Y HA 0.440 5.000 4.550 0.016 0.000 0.338 103 Y C -2.312 173.716 175.900 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 0.785 178.239 177.300 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 2.835 124.198 121.223 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 2.067 57.078 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 -0.771 119.706 120.400 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 0.876 54.941 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 -0.685 120.412 121.223 -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 0.377 54.896 54.840 -0.535 0.000 0.842 107 L CB -0.134 41.429 42.059 -0.827 0.000 0.953 107 L HN -0.112 nan 8.230 nan 0.000 0.452 108 F N -0.411 119.575 119.950 0.060 0.000 2.495 108 F HA 0.325 4.861 4.527 0.015 0.000 0.327 108 F C 0.593 176.406 175.800 0.021 0.000 1.103 108 F CA -1.371 56.654 58.000 0.041 0.000 0.949 108 F CB 1.053 40.090 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 0.114 4.473 4.350 0.015 0.000 0.270 109 E C -0.734 175.879 176.600 0.023 0.000 1.021 109 E CA -0.491 55.949 56.400 0.066 0.000 0.887 109 E CB 0.563 30.283 29.700 0.033 0.000 0.997 109 E HN 0.525 nan 8.360 nan 0.000 0.429 110 E N 2.414 122.591 120.200 -0.039 0.000 2.465 110 E HA 0.163 4.522 4.350 0.015 0.000 0.260 110 E C 0.826 177.210 176.600 -0.360 0.000 0.980 110 E CA 1.294 57.599 56.400 -0.159 0.000 0.927 110 E CB 0.574 30.207 29.700 -0.112 0.000 0.934 110 E HN 0.801 nan 8.360 nan 0.000 0.459 111 G N 2.541 110.818 108.800 -0.872 0.000 2.153 111 G HA2 -0.317 3.653 3.960 0.015 0.000 0.252 111 G HA3 -0.317 3.653 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 44.757 45.100 -1.270 0.000 0.698 111 G HN 0.517 nan 8.290 nan 0.000 0.521 112 S N -0.603 114.897 115.700 -0.332 0.000 2.667 112 S HA 0.531 5.010 4.470 0.015 0.000 0.304 112 S C 1.413 176.138 174.600 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 64.544 63.200 0.021 0.000 0.996 112 S HN 0.542 nan 8.310 nan 0.000 0.474 113 V N 4.707 124.759 119.914 0.231 0.000 2.427 113 V HA -0.111 4.018 4.120 0.015 0.000 0.248 113 V C 2.522 178.534 176.094 -0.137 0.000 1.051 113 V CA 2.343 64.604 62.300 -0.065 0.000 1.048 113 V CB -0.934 30.612 31.823 -0.461 0.000 0.666 113 V HN 0.831 nan 8.190 nan 0.000 0.456 114 T N 0.163 114.698 114.554 -0.032 0.000 2.665 114 T HA -0.261 4.098 4.350 0.015 0.000 0.268 114 T C 1.915 176.643 174.700 0.048 0.000 1.035 114 T CA 1.993 64.113 62.100 0.034 0.000 1.151 114 T CB -0.473 68.453 68.868 0.096 0.000 0.862 114 T HN 0.572 nan 8.240 nan 0.000 0.438 115 N N 0.714 119.459 118.700 0.075 0.000 2.142 115 N HA -0.056 4.693 4.740 0.015 0.000 0.186 115 N C 2.003 177.606 175.510 0.155 0.000 1.023 115 N CA 1.025 54.139 53.050 0.105 0.000 0.852 115 N CB -0.162 38.396 38.487 0.118 0.000 0.998 115 N HN 0.373 nan 8.380 nan 0.000 0.424 116 I N 1.358 122.024 120.570 0.160 0.000 2.163 116 I HA -0.293 3.886 4.170 0.015 0.000 0.243 116 I C 2.322 178.469 176.117 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 37.745 38.000 0.001 0.000 1.044 116 I HN 0.170 nan 8.210 nan 0.000 0.408 117 L N -0.112 121.113 121.223 0.002 0.000 2.093 117 L HA -0.185 4.164 4.340 0.015 0.000 0.208 117 L C 2.622 179.514 176.870 0.038 0.000 1.085 117 L CA 1.434 56.271 54.840 -0.005 0.000 0.755 117 L CB -0.905 41.134 42.059 -0.033 0.000 0.904 117 L HN 0.278 nan 8.230 nan 0.000 0.435 118 T N -1.012 113.575 114.554 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 0.808 116.557 115.700 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 0.630 58.872 58.200 0.071 0.000 0.985 119 S CB -0.223 63.026 63.200 0.082 0.000 0.896 119 S HN 0.301 nan 8.310 nan 0.000 0.445 120 I N 1.679 122.277 120.570 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 0.303 0.000 1.117 120 I CA 1.267 62.624 61.300 0.095 0.000 1.404 120 I CB -1.258 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 -2.764 117.282 119.914 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 31.511 31.823 0.011 0.000 1.075 121 V HN 0.186 nan 8.190 nan 0.000 0.482 122 G N 1.773 110.657 108.800 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 1.357 46.519 45.100 0.103 0.000 0.788 122 G HN 0.547 nan 8.290 nan 0.000 0.539 123 N N -0.607 118.188 118.700 0.158 0.000 2.297 123 N HA 0.014 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 53.987 53.050 0.181 0.000 0.882 123 N CB 0.564 39.149 38.487 0.163 0.000 1.134 123 N HN 0.278 nan 8.380 nan 0.000 0.489 124 V N -1.478 118.539 119.914 0.170 0.000 2.809 124 V HA 0.038 4.167 4.120 0.015 0.000 0.256 124 V C 1.617 177.732 176.094 0.035 0.000 1.080 124 V CA 1.097 63.385 62.300 -0.020 0.000 1.102 124 V CB -1.106 30.522 31.823 -0.325 0.000 0.705 124 V HN -0.091 nan 8.190 nan 0.000 0.475 125 F N 2.546 122.534 119.950 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 1.185 59.257 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 -1.835 107.162 108.800 0.328 0.000 3.159 126 G HA2 0.014 3.984 3.960 0.015 0.000 0.232 126 G HA3 0.014 3.984 3.960 0.015 0.000 0.232 126 G C 0.079 175.073 174.900 0.157 0.000 1.116 126 G CA -0.221 45.011 45.100 0.220 0.000 0.767 126 G HN 0.031 nan 8.290 nan 0.000 0.547 127 F N 1.791 121.748 119.950 0.012 0.000 2.602 127 F HA 0.179 4.715 4.527 0.015 0.000 0.385 127 F C 1.794 177.584 175.800 -0.018 0.000 1.063 127 F CA 0.126 58.109 58.000 -0.028 0.000 1.233 127 F CB 0.975 39.918 39.000 -0.094 0.000 1.067 127 F HN -0.035 nan 8.300 nan 0.000 0.564 128 K N 3.164 123.472 120.400 -0.154 0.000 2.113 128 K HA -0.209 4.121 4.320 0.015 0.000 0.208 128 K C 1.933 178.542 176.600 0.015 0.000 1.047 128 K CA 1.468 57.711 56.287 -0.073 0.000 0.928 128 K CB -0.165 32.252 32.500 -0.138 0.000 0.716 128 K HN 0.720 nan 8.250 nan 0.000 0.446 129 A N 0.708 123.574 122.820 0.078 0.000 2.209 129 A HA 0.000 4.329 4.320 0.015 0.000 0.212 129 A C 0.626 178.269 177.584 0.098 0.000 1.158 129 A CA 0.596 52.697 52.037 0.107 0.000 0.742 129 A CB -0.008 19.096 19.000 0.174 0.000 0.790 129 A HN 0.057 nan 8.150 nan 0.000 0.472 130 I N -0.552 120.083 120.570 0.109 0.000 2.433 130 I HA 0.316 4.495 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 -0.385 60.968 61.300 0.088 0.000 1.119 130 I CB 1.505 39.522 38.000 0.028 0.000 1.289 130 I HN 0.246 nan 8.210 nan 0.000 0.438 131 R N 2.885 123.448 120.500 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 0.822 56.975 56.100 0.088 0.000 0.972 131 R CB 0.139 30.483 30.300 0.074 0.000 0.869 131 R HN 0.780 nan 8.270 nan 0.000 0.437 132 S N -0.372 115.431 115.700 0.172 0.000 2.550 132 S HA 0.562 5.042 4.470 0.015 0.000 0.270 132 S C -1.395 173.342 174.600 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 65.567 63.200 0.243 0.000 1.119 132 S HN 0.041 nan 8.310 nan 0.000 0.465 133 L N 1.379 122.707 121.223 0.176 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 -0.150 0.000 0.954 133 L CA -0.375 54.362 54.840 -0.171 0.000 0.844 133 L CB 2.192 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 4.139 125.514 121.223 0.255 0.000 2.369 135 L HA 0.308 4.657 4.340 0.015 0.000 0.279 135 L C 0.350 177.163 176.870 -0.095 0.000 1.108 135 L CA 0.652 55.441 54.840 -0.085 0.000 0.852 135 L CB 1.041 43.053 42.059 -0.077 0.000 1.169 135 L HN 0.822 nan 8.230 nan 0.000 0.452 136 E N 2.311 122.345 120.200 -0.276 0.000 2.166 136 E HA 0.122 4.481 4.350 0.015 0.000 0.192 136 E C -0.271 176.154 176.600 -0.291 0.000 0.967 136 E CA 0.458 56.666 56.400 -0.321 0.000 0.840 136 E CB 0.401 29.620 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 -0.012 0.000 1.443 137 D HN -0.164 nan 8.370 nan 0.000 0.441 138 I N 1.619 122.164 120.570 -0.040 0.000 2.499 138 I HA 0.352 4.532 4.170 0.015 0.000 0.288 138 I C -0.003 175.855 176.117 -0.431 0.000 1.048 138 I CA -0.834 60.247 61.300 -0.365 0.000 1.062 138 I CB 2.204 39.735 38.000 -0.783 0.000 1.238 138 I HN 0.097 nan 8.210 nan 0.000 0.426 139 R N 6.162 126.267 120.500 -0.658 0.000 2.210 139 R HA 0.365 4.714 4.340 0.015 0.000 0.338 139 R C -1.420 174.536 176.300 -0.572 0.000 1.062 139 R CA -0.419 55.358 56.100 -0.539 0.000 0.902 139 R CB 0.393 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 7.092 126.834 119.950 -0.347 0.000 2.444 140 F HA 0.261 4.797 4.527 0.016 0.000 0.360 140 F C -1.364 174.259 175.800 -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 0.889 178.178 177.300 -0.018 0.000 1.209 141 P CA -0.021 63.052 63.100 -0.045 0.000 0.776 141 P CB 1.376 33.068 31.700 -0.012 0.000 0.876 142 V N 2.642 122.541 119.914 -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 2.739 65.036 62.300 -0.005 0.000 1.066 142 V CB -1.555 30.270 31.823 0.003 0.000 0.667 142 V HN 0.689 nan 8.190 nan 0.000 0.461 143 A N -0.699 122.145 122.820 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 1.751 53.821 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 -0.649 120.636 121.223 0.103 0.000 2.162 144 L HA 0.040 4.389 4.340 0.015 0.000 0.205 144 L C 2.310 179.338 176.870 0.262 0.000 1.086 144 L CA 1.310 56.252 54.840 0.170 0.000 0.778 144 L CB -0.326 41.843 42.059 0.183 0.000 0.928 144 L HN 0.117 nan 8.230 nan 0.000 0.446 145 V N 0.001 120.012 119.914 0.163 0.000 2.392 145 V HA -0.288 3.842 4.120 0.015 0.000 0.249 145 V C 2.443 178.679 176.094 0.236 0.000 1.059 145 V CA 1.608 63.997 62.300 0.149 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 0.336 120.830 120.400 0.157 0.000 2.504 146 K HA -0.065 4.265 4.320 0.015 0.000 0.195 146 K C 2.018 178.675 176.600 0.095 0.000 1.036 146 K CA 1.453 57.812 56.287 0.119 0.000 0.984 146 K CB -0.293 32.253 32.500 0.076 0.000 0.788 146 K HN 0.737 nan 8.250 nan 0.000 0.488 147 T N -1.890 112.717 114.554 0.088 0.000 3.100 147 T HA 0.087 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 61.951 62.100 -0.077 0.000 1.058 147 T CB -0.181 68.581 68.868 -0.176 0.000 0.953 147 T HN -0.162 nan 8.240 nan 0.000 0.515 148 F N 1.271 121.217 119.950 -0.006 0.000 2.432 148 F HA 0.483 5.020 4.527 0.016 0.000 0.329 148 F C 1.649 177.442 175.800 -0.010 0.000 1.076 148 F CA -1.222 56.769 58.000 -0.015 0.000 1.018 148 F CB 1.793 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 2.028 121.932 119.800 0.173 0.000 2.049 149 Q HA 0.208 4.557 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 1.222 57.073 55.803 0.081 0.000 0.833 149 Q CB -0.106 28.654 28.738 0.038 0.000 0.896 149 Q HN 1.000 nan 8.270 nan 0.000 0.434 150 G N 0.351 109.195 108.800 0.074 0.000 2.632 150 G HA2 -0.240 3.730 3.960 0.015 0.000 0.224 150 G HA3 -0.240 3.730 3.960 0.015 0.000 0.224 150 G C -2.511 172.355 174.900 -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 -0.275 62.760 63.100 -0.108 0.000 0.761 151 P CB 0.391 32.027 31.700 -0.105 0.000 0.795 152 P HA -0.190 nan 4.420 nan 0.000 0.216 152 P C 0.763 177.597 177.300 -0.777 0.000 1.150 152 P CA 1.924 64.766 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 -3.748 115.302 119.070 -0.035 0.000 1.955 153 H HA 0.345 4.910 4.556 0.015 0.000 0.196 153 H C 1.219 176.537 175.328 -0.017 0.000 0.891 153 H CA 0.936 56.971 56.048 -0.022 0.000 1.001 153 H CB 0.054 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 1.236 110.092 108.800 0.092 0.000 2.756 154 G HA2 -0.210 3.760 3.960 0.015 0.000 0.678 154 G HA3 -0.210 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 0.517 121.114 120.570 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 64.157 61.300 0.058 0.000 1.317 155 I CB -0.409 37.612 38.000 0.036 0.000 1.031 155 I HN 0.838 nan 8.210 nan 0.000 0.401 156 Q N 0.649 120.493 119.800 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 1.587 57.447 55.803 0.094 0.000 0.847 156 Q CB -0.678 28.109 28.738 0.082 0.000 0.903 156 Q HN 0.308 nan 8.270 nan 0.000 0.433 157 V N 1.386 121.356 119.914 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 2.077 64.435 62.300 0.097 0.000 1.048 157 V CB -0.643 31.257 31.823 0.129 0.000 0.666 157 V HN 0.547 nan 8.190 nan 0.000 0.456 158 E N 0.434 120.681 120.200 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 57.668 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 0.508 121.017 120.500 0.015 0.000 2.091 159 R HA -0.135 4.214 4.340 0.015 0.000 0.238 159 R C 1.900 178.064 176.300 -0.227 0.000 1.136 159 R CA 1.488 57.518 56.100 -0.117 0.000 0.959 159 R CB -0.320 29.969 30.300 -0.017 0.000 0.856 159 R HN 0.290 nan 8.270 nan 0.000 0.437 160 D N 0.934 121.339 120.400 0.008 0.000 2.144 160 D HA -0.090 4.560 4.640 0.015 0.000 0.200 160 D C 2.059 178.366 176.300 0.011 0.000 0.978 160 D CA 0.919 54.971 54.000 0.088 0.000 0.833 160 D CB -0.128 40.758 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 2.161 179.005 176.870 -0.042 0.000 1.085 161 L CA 0.696 55.518 54.840 -0.030 0.000 0.755 161 L CB -0.094 41.926 42.059 -0.065 0.000 0.904 161 L HN 0.014 nan 8.230 nan 0.000 0.435 162 L N -1.315 119.865 121.223 -0.072 0.000 2.585 162 L HA 0.124 4.473 4.340 0.015 0.000 0.226 162 L C 0.337 177.116 176.870 -0.152 0.000 1.113 162 L CA -0.134 54.661 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 1.277 119.831 118.700 -0.244 0.000 2.735 163 N HA -0.165 4.584 4.740 0.015 0.000 0.248 163 N C -0.244 175.003 175.510 -0.439 0.000 1.083 163 N CA 0.899 53.765 53.050 -0.307 0.000 0.703 163 N CB -0.738 37.703 38.487 -0.077 0.000 1.005 163 N HN 0.198 nan 8.380 nan 0.000 0.550 164 K N 0.988 121.003 120.400 -0.641 0.000 2.449 164 K HA 0.424 4.753 4.320 0.015 0.000 0.257 164 K C -1.092 175.219 176.600 -0.481 0.000 0.989 164 K CA -0.175 55.872 56.287 -0.401 0.000 0.916 164 K CB 0.553 32.916 32.500 -0.228 0.000 1.136 164 K HN 0.080 nan 8.250 nan 0.000 0.439 165 Y N -0.006 120.301 120.300 0.011 0.000 2.512 165 Y HA 0.514 5.074 4.550 0.015 0.000 0.348 165 Y C 1.232 177.141 175.900 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 1.292 110.206 108.800 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 45.228 45.100 0.116 0.000 0.643 166 G HN 0.831 nan 8.290 nan 0.000 0.522 167 R N -0.866 119.679 120.500 0.075 0.000 2.741 167 R HA 0.538 4.887 4.340 0.015 0.000 0.276 167 R C -3.505 172.828 176.300 0.055 0.000 1.028 167 R CA -1.363 54.773 56.100 0.061 0.000 0.865 167 R CB -0.251 30.079 30.300 0.051 0.000 1.268 167 R HN 0.003 nan 8.270 nan 0.000 0.475 168 P HA 0.136 nan 4.420 nan 0.000 0.267 168 P C -0.237 177.087 177.300 0.039 0.000 1.200 168 P CA 0.156 63.288 63.100 0.053 0.000 0.772 168 P CB 0.381 32.123 31.700 0.071 0.000 0.855 169 M N 1.708 121.331 119.600 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 -0.301 55.022 55.300 0.038 0.000 1.104 169 M CB 0.517 33.183 32.600 0.109 0.000 1.483 169 M HN 0.131 nan 8.290 nan 0.000 0.467 170 L N 0.787 122.045 121.223 0.058 0.000 2.362 170 L HA 0.795 5.144 4.340 0.015 0.000 0.275 170 L C 0.110 177.065 176.870 0.141 0.000 0.998 170 L CA -0.514 54.395 54.840 0.114 0.000 0.820 170 L CB 1.909 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 0.156 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 -0.055 119.218 119.300 -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 -0.021 0.000 1.218 172 C CB 0.340 28.086 27.740 0.010 0.000 1.595 172 C HN 0.868 nan 8.230 nan 0.000 0.576 173 T N 7.176 121.712 114.554 -0.030 0.000 2.780 173 T HA 0.406 4.766 4.350 0.015 0.000 0.294 173 T C 0.540 175.235 174.700 -0.008 0.000 0.949 173 T CA -0.312 61.784 62.100 -0.008 0.000 1.074 173 T CB 0.402 69.302 68.868 0.053 0.000 0.910 173 T HN 0.581 nan 8.240 nan 0.000 0.501 174 I N 3.843 124.395 120.570 -0.030 0.000 2.648 174 I HA 0.210 4.389 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 0.078 61.313 61.300 -0.108 0.000 1.426 174 I CB -0.082 37.650 38.000 -0.446 0.000 1.381 174 I HN 0.467 nan 8.210 nan 0.000 0.571 175 K N 6.331 126.725 120.400 -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 0.257 177.596 177.300 0.065 0.000 1.217 176 P CA -0.093 63.028 63.100 0.034 0.000 0.783 176 P CB 0.829 32.528 31.700 -0.001 0.000 0.898 177 K N 0.240 120.672 120.400 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 -2.139 119.069 121.223 -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 -0.224 0.000 0.818 178 L CB 2.373 44.332 42.059 -0.167 0.000 1.354 178 L HN 0.405 nan 8.230 nan 0.000 0.415 179 G N 1.292 109.397 108.800 -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 1.534 178.552 176.870 0.247 0.000 1.124 180 L CA -0.034 54.888 54.840 0.137 0.000 0.816 180 L CB 1.428 43.651 42.059 0.274 0.000 1.129 180 L HN 0.476 nan 8.230 nan 0.000 0.448 181 S N 1.977 117.774 115.700 0.161 0.000 2.608 181 S HA 0.249 4.728 4.470 0.015 0.000 0.261 181 S C 1.147 175.790 174.600 0.070 0.000 1.314 181 S CA -0.096 58.170 58.200 0.112 0.000 0.992 181 S CB 1.403 64.615 63.200 0.020 0.000 0.935 181 S HN 0.700 nan 8.310 nan 0.000 0.564 182 A N 1.327 124.133 122.820 -0.023 0.000 1.908 182 A HA -0.104 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 2.089 54.101 52.037 -0.043 0.000 0.627 182 A CB -1.099 17.927 19.000 0.044 0.000 0.818 182 A HN 0.940 nan 8.150 nan 0.000 0.445 183 K N 0.164 120.168 120.400 -0.659 0.000 2.057 183 K HA -0.113 4.217 4.320 0.015 0.000 0.206 183 K C 1.594 178.057 176.600 -0.229 0.000 1.050 183 K CA 1.853 57.668 56.287 -0.787 0.000 0.935 183 K CB -0.289 31.770 32.500 -0.735 0.000 0.715 183 K HN 0.395 nan 8.250 nan 0.000 0.439 184 N N -0.529 118.114 118.700 -0.096 0.000 2.331 184 N HA -0.123 4.626 4.740 0.015 0.000 0.180 184 N C 1.378 176.931 175.510 0.071 0.000 1.019 184 N CA 0.824 53.877 53.050 0.006 0.000 0.881 184 N CB -0.263 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 1.147 121.437 120.300 -0.016 0.000 2.163 185 Y HA -0.060 4.499 4.550 0.016 0.000 0.288 185 Y C 2.417 178.333 175.900 0.026 0.000 1.136 185 Y CA 1.789 59.908 58.100 0.032 0.000 1.147 185 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 0.509 186 G N -0.567 108.333 108.800 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 1.796 176.760 174.900 0.106 0.000 1.135 186 G CA 0.763 45.938 45.100 0.127 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 2.879 179.229 176.300 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 29.906 30.300 0.066 0.000 0.846 187 R HN 0.276 nan 8.270 nan 0.000 0.431 188 A N 0.182 123.003 122.820 0.001 0.000 1.933 188 A HA -0.106 4.223 4.320 0.015 0.000 0.218 188 A C 2.283 179.832 177.584 -0.059 0.000 1.175 188 A CA 1.586 53.592 52.037 -0.051 0.000 0.628 188 A CB -0.497 18.429 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 2.126 64.418 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 1.552 121.842 120.300 -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 -0.395 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 -0.531 119.448 120.200 -0.368 0.000 2.106 191 E HA -0.190 4.169 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 1.305 57.454 56.400 -0.419 0.000 0.806 191 E CB -0.866 28.726 29.700 -0.181 0.000 0.750 191 E HN 0.550 nan 8.360 nan 0.000 0.458 192 C N 0.672 119.876 119.300 -0.160 0.000 2.462 192 C HA -0.067 4.402 4.460 0.015 0.000 0.278 192 C C 2.863 177.785 174.990 -0.114 0.000 1.253 192 C CA 0.376 59.328 59.018 -0.110 0.000 1.713 192 C CB -1.111 26.591 27.740 -0.062 0.000 2.049 192 C HN 0.360 nan 8.230 nan 0.000 0.477 193 L N 1.190 122.352 121.223 -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 1.692 56.489 54.840 -0.071 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 0.467 120.856 120.500 -0.185 0.000 2.193 194 R HA -0.078 4.271 4.340 0.015 0.000 0.229 194 R C 1.876 178.097 176.300 -0.131 0.000 1.110 194 R CA 1.350 57.345 56.100 -0.174 0.000 0.988 194 R CB -0.698 29.379 30.300 -0.372 0.000 0.871 194 R HN 0.255 nan 8.270 nan 0.000 0.458 195 G N -0.703 108.012 108.800 -0.143 0.000 2.880 195 G HA2 0.261 4.230 3.960 0.015 0.000 0.209 195 G HA3 0.261 4.230 3.960 0.015 0.000 0.209 195 G C 0.897 175.744 174.900 -0.088 0.000 1.157 195 G CA 0.255 45.286 45.100 -0.114 0.000 0.779 195 G HN 0.589 nan 8.290 nan 0.000 0.539 196 G N -0.761 107.990 108.800 -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 0.274 175.128 174.900 -0.076 0.000 1.006 196 G CA -0.334 44.725 45.100 -0.068 0.000 0.704 196 G HN 0.320 nan 8.290 nan 0.000 0.487 197 L N 1.400 122.576 121.223 -0.078 0.000 2.417 197 L HA 0.338 4.688 4.340 0.015 0.000 0.268 197 L C 1.125 177.919 176.870 -0.127 0.000 1.158 197 L CA -0.600 54.196 54.840 -0.073 0.000 0.819 197 L CB 0.591 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 1.538 121.812 120.400 -0.210 0.000 2.162 198 D HA 0.015 4.664 4.640 0.015 0.000 0.203 198 D C -0.111 175.865 176.300 -0.540 0.000 0.967 198 D CA 1.569 55.283 54.000 -0.477 0.000 0.840 198 D CB 0.270 40.613 40.800 -0.762 0.000 0.972 198 D HN 0.147 nan 8.370 nan 0.000 0.482 199 F N -0.076 119.836 119.950 -0.064 0.000 2.588 199 F HA 0.307 4.843 4.527 0.015 0.000 0.314 199 F C 0.620 176.271 175.800 -0.249 0.000 1.069 199 F CA -1.052 56.844 58.000 -0.172 0.000 0.931 199 F CB 1.781 40.626 39.000 -0.257 0.000 1.260 199 F HN -0.345 nan 8.300 nan 0.000 0.465 200 T N -1.114 113.384 114.554 -0.094 0.000 2.905 200 T HA 0.846 5.206 4.350 0.015 0.000 0.283 200 T C -1.090 173.157 174.700 -0.755 0.000 1.031 200 T CA -1.027 60.937 62.100 -0.225 0.000 1.002 200 T CB 2.530 71.438 68.868 0.066 0.000 1.200 200 T HN 0.760 nan 8.240 nan 0.000 0.560 201 K N -0.202 119.794 120.400 -0.673 0.000 2.551 201 K HA 0.464 4.793 4.320 0.015 0.000 0.269 201 K C -1.842 174.629 176.600 -0.216 0.000 0.949 201 K CA -0.897 54.923 56.287 -0.778 0.000 0.849 201 K CB 1.505 33.683 32.500 -0.536 0.000 1.411 201 K HN 0.385 nan 8.250 nan 0.000 0.432 202 D N 1.769 122.164 120.400 -0.009 0.000 2.423 202 D HA 0.023 4.672 4.640 0.015 0.000 0.238 202 D C -0.278 176.136 176.300 0.190 0.000 1.142 202 D CA 0.488 54.674 54.000 0.310 0.000 0.884 202 D CB 0.595 41.565 40.800 0.283 0.000 1.199 202 D HN 0.393 nan 8.370 nan 0.000 0.438 203 D N 1.064 121.598 120.400 0.224 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 2.290 122.372 120.200 -0.196 0.000 2.160 204 E HA -0.251 4.108 4.350 0.015 0.000 0.195 204 E C 0.670 177.174 176.600 -0.159 0.000 0.991 204 E CA 1.175 57.345 56.400 -0.383 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 4.771 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 0.066 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 1.929 122.547 120.570 0.080 0.000 2.347 206 I HA 0.135 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 0.143 61.508 61.300 0.109 0.000 1.314 206 I CB -0.326 37.747 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 -0.268 52.813 53.050 0.052 0.000 1.130 207 N CB 0.617 39.108 38.487 0.005 0.000 1.393 207 N HN 0.397 nan 8.380 nan 0.000 0.540 208 S N 0.225 115.929 115.700 0.007 0.000 2.649 208 S HA 0.433 4.912 4.470 0.015 0.000 0.274 208 S C -1.894 172.633 174.600 -0.123 0.000 1.176 208 S CA -0.411 57.791 58.200 0.004 0.000 0.988 208 S CB 1.246 64.551 63.200 0.175 0.000 1.071 208 S HN 0.253 nan 8.310 nan 0.000 0.478 209 Q N 3.248 122.859 119.800 -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 -1.791 53.750 55.803 -0.437 0.000 0.777 209 Q CB 1.735 30.048 28.738 -0.708 0.000 1.487 209 Q HN 0.273 nan 8.270 nan 0.000 0.426 210 P HA -0.172 nan 4.420 nan 0.000 0.216 210 P C 0.575 177.784 177.300 -0.152 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 -1.585 118.364 119.950 -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 0.155 58.152 58.000 -0.004 0.000 1.451 211 F CB -0.639 38.364 39.000 0.004 0.000 1.091 211 F HN -0.122 nan 8.300 nan 0.000 0.563 212 Q N 1.178 120.673 119.800 -0.508 0.000 2.605 212 Q HA 0.258 4.608 4.340 0.015 0.000 0.228 212 Q C -1.283 174.534 176.000 -0.304 0.000 0.805 212 Q CA -0.631 55.012 55.803 -0.267 0.000 0.894 212 Q CB 0.999 29.689 28.738 -0.079 0.000 1.469 212 Q HN 0.094 nan 8.270 nan 0.000 0.445 213 R N 2.402 122.785 120.500 -0.195 0.000 2.539 213 R HA 0.173 4.522 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 0.192 30.361 30.300 -0.218 0.000 1.018 213 R HN 0.730 nan 8.270 nan 0.000 0.483 214 W N 4.237 125.437 121.300 -0.167 0.000 2.388 214 W HA -0.135 4.532 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 0.978 58.212 57.345 -0.185 0.000 1.271 214 W CB -0.372 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 -1.432 0.000 2.115 215 R HA -0.129 4.220 4.340 0.015 0.000 0.226 215 R C 1.765 177.831 176.300 -0.391 0.000 1.100 215 R CA 2.155 57.429 56.100 -1.376 0.000 0.980 215 R CB -0.519 28.675 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 -0.254 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 1.063 55.099 54.000 0.061 0.000 0.826 216 D CB -0.313 40.544 40.800 0.096 0.000 0.973 216 D HN 0.278 nan 8.370 nan 0.000 0.460 217 R N 0.030 120.677 120.500 0.246 0.000 2.083 217 R HA -0.161 4.189 4.340 0.015 0.000 0.237 217 R C 2.233 178.799 176.300 0.443 0.000 1.137 217 R CA 1.049 57.348 56.100 0.331 0.000 0.951 217 R CB -0.396 30.048 30.300 0.240 0.000 0.851 217 R HN 0.064 nan 8.270 nan 0.000 0.434 218 F N 1.197 121.270 119.950 0.204 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 0.846 58.974 58.000 0.213 0.000 1.255 218 F CB -0.759 38.492 39.000 0.419 0.000 0.997 218 F HN 0.068 nan 8.300 nan 0.000 0.479 219 L N -1.525 119.893 121.223 0.324 0.000 1.994 219 L HA -0.259 4.090 4.340 0.015 0.000 0.208 219 L C 2.468 179.294 176.870 -0.073 0.000 1.071 219 L CA 1.884 56.764 54.840 0.066 0.000 0.745 219 L CB -0.662 41.346 42.059 -0.084 0.000 0.892 219 L HN 0.068 nan 8.230 nan 0.000 0.431 220 F N -0.985 119.011 119.950 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 58.897 58.000 0.040 0.000 1.307 220 F CB -0.675 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 -0.204 119.804 119.914 0.157 0.000 2.427 221 V HA -0.285 3.844 4.120 0.015 0.000 0.248 221 V C 2.542 178.571 176.094 -0.108 0.000 1.051 221 V CA 1.678 63.960 62.300 -0.030 0.000 1.048 221 V CB -1.190 30.516 31.823 -0.196 0.000 0.666 221 V HN 0.348 nan 8.190 nan 0.000 0.456 222 A N -0.134 122.606 122.820 -0.133 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 2.222 54.072 52.037 -0.311 0.000 0.628 222 A CB -0.667 18.185 19.000 -0.246 0.000 0.814 222 A HN 0.600 nan 8.150 nan 0.000 0.444 223 D N -0.460 119.817 120.400 -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 1.461 55.402 54.000 -0.098 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 -0.025 122.777 122.820 -0.030 0.000 1.933 224 A HA -0.109 4.220 4.320 0.015 0.000 0.218 224 A C 2.306 179.933 177.584 0.072 0.000 1.175 224 A CA 0.949 53.019 52.037 0.055 0.000 0.628 224 A CB -0.703 18.360 19.000 0.106 0.000 0.814 224 A HN 0.358 nan 8.150 nan 0.000 0.444 225 I N -1.237 119.308 120.570 -0.041 0.000 2.252 225 I HA -0.258 3.921 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 1.498 62.790 61.300 -0.013 0.000 1.385 225 I CB -0.496 37.455 38.000 -0.082 0.000 1.064 225 I HN 0.479 nan 8.210 nan 0.000 0.414 226 H N 0.135 119.228 119.070 0.040 0.000 2.357 226 H HA -0.175 4.390 4.556 0.015 0.000 0.301 226 H C 2.277 177.622 175.328 0.029 0.000 1.082 226 H CA 1.170 57.232 56.048 0.024 0.000 1.342 226 H CB 0.083 29.847 29.762 0.002 0.000 1.389 226 H HN 0.187 nan 8.280 nan 0.000 0.511 227 K N 0.930 121.412 120.400 0.137 0.000 2.057 227 K HA -0.137 4.192 4.320 0.015 0.000 0.206 227 K C 2.454 179.162 176.600 0.180 0.000 1.050 227 K CA 1.529 57.857 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 0.294 nan 8.250 nan 0.000 0.439 228 S N 0.181 116.042 115.700 0.268 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 59.356 58.200 0.253 0.000 0.965 228 S CB -0.231 63.092 63.200 0.204 0.000 0.798 228 S HN 0.436 nan 8.310 nan 0.000 0.488 229 Q N 1.339 121.206 119.800 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 1.211 57.059 55.803 0.075 0.000 0.847 229 Q CB -0.537 28.253 28.738 0.087 0.000 0.903 229 Q HN 0.705 nan 8.270 nan 0.000 0.433 230 A N 0.645 123.511 122.820 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 1.519 53.589 52.037 0.055 0.000 0.627 230 A CB -0.369 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 -0.898 119.349 120.200 0.077 0.000 2.158 231 E HA -0.096 4.263 4.350 0.015 0.000 0.191 231 E C 2.061 178.689 176.600 0.047 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 -3.697 110.881 114.554 0.039 0.000 3.015 232 T HA 0.218 4.577 4.350 0.015 0.000 0.250 232 T C 1.603 176.309 174.700 0.010 0.000 1.057 232 T CA 0.414 62.524 62.100 0.017 0.000 1.066 232 T CB 0.621 69.492 68.868 0.004 0.000 0.959 232 T HN 0.213 nan 8.240 nan 0.000 0.488 233 G N 1.383 110.191 108.800 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 -0.526 119.669 120.200 -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 2.893 123.435 120.570 -0.046 0.000 2.668 235 I HA -0.011 4.168 4.170 0.015 0.000 0.285 235 I C 0.266 176.339 176.117 -0.074 0.000 1.168 235 I CA 0.499 61.775 61.300 -0.039 0.000 1.424 235 I CB -0.423 37.550 38.000 -0.045 0.000 1.377 235 I HN 0.302 nan 8.210 nan 0.000 0.560 236 K N 4.685 125.073 120.400 -0.020 0.000 2.267 236 K HA 0.795 5.124 4.320 0.015 0.000 0.246 236 K C -0.016 176.632 176.600 0.080 0.000 0.954 236 K CA -0.659 55.616 56.287 -0.020 0.000 0.824 236 K CB 2.475 34.987 32.500 0.020 0.000 1.167 236 K HN 0.803 nan 8.250 nan 0.000 0.431 237 G N 0.350 109.257 108.800 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 0.574 119.720 119.070 0.127 0.000 2.934 238 H HA 0.305 4.870 4.556 0.015 0.000 0.340 238 H C -1.158 174.192 175.328 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 0.371 nan 8.280 nan 0.000 0.516 239 Y N 5.644 125.715 120.300 -0.381 0.000 2.680 239 Y HA 0.113 4.672 4.550 0.015 0.000 0.356 239 Y C 0.676 176.487 175.900 -0.148 0.000 1.122 239 Y CA -0.603 57.342 58.100 -0.260 0.000 1.509 239 Y CB -0.577 37.683 38.460 -0.333 0.000 1.245 239 Y HN 0.338 nan 8.280 nan 0.000 0.513 240 L N 3.824 125.103 121.223 0.094 0.000 2.361 240 L HA 0.149 4.498 4.340 0.015 0.000 0.278 240 L C 0.720 177.640 176.870 0.084 0.000 1.113 240 L CA 0.055 54.883 54.840 -0.021 0.000 0.849 240 L CB 0.304 42.002 42.059 -0.602 0.000 1.155 240 L HN 0.618 nan 8.230 nan 0.000 0.452 241 N N 2.136 120.960 118.700 0.206 0.000 2.416 241 N HA 0.102 4.851 4.740 0.015 0.000 0.265 241 N C 0.810 176.483 175.510 0.271 0.000 1.195 241 N CA -0.412 52.770 53.050 0.220 0.000 0.943 241 N CB 0.936 39.536 38.487 0.188 0.000 1.115 241 N HN 0.527 nan 8.380 nan 0.000 0.481 242 V N 0.464 120.498 119.914 0.200 0.000 3.621 242 V HA 0.150 4.279 4.120 0.015 0.000 0.285 242 V C 0.630 176.756 176.094 0.052 0.000 1.346 242 V CA -0.207 62.152 62.300 0.098 0.000 1.104 242 V CB -0.241 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 3.255 117.899 114.554 0.150 0.000 2.866 243 T HA 0.503 4.862 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 1.174 63.342 62.100 0.113 0.000 1.162 243 T CB 0.367 69.239 68.868 0.006 0.000 0.968 243 T HN 1.034 nan 8.240 nan 0.000 0.530 244 A N 5.279 128.088 122.820 -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 -1.349 50.636 52.037 -0.087 0.000 0.710 244 A CB 0.812 19.714 19.000 -0.163 0.000 1.303 244 A HN 0.529 nan 8.150 nan 0.000 0.413 245 P HA 0.022 nan 4.420 nan 0.000 0.219 245 P C 0.573 177.847 177.300 -0.043 0.000 1.150 245 P CA 1.884 64.954 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 -4.786 109.734 114.554 -0.057 0.000 2.883 246 T HA 0.316 4.675 4.350 0.015 0.000 0.296 246 T C 1.030 175.692 174.700 -0.063 0.000 1.117 246 T CA -0.656 61.414 62.100 -0.049 0.000 1.006 246 T CB 1.046 69.884 68.868 -0.050 0.000 1.191 246 T HN -0.097 nan 8.240 nan 0.000 0.508 247 C N 0.598 119.867 119.300 -0.052 0.000 2.413 247 C HA -0.037 4.433 4.460 0.015 0.000 0.277 247 C C 2.640 177.569 174.990 -0.103 0.000 1.265 247 C CA 1.011 59.988 59.018 -0.068 0.000 1.752 247 C CB -1.368 26.346 27.740 -0.043 0.000 1.998 247 C HN 1.012 nan 8.230 nan 0.000 0.489 248 E N 0.809 120.957 120.200 -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 -0.142 0.000 0.989 248 E CA 0.959 57.301 56.400 -0.096 0.000 0.800 248 E CB -0.285 29.376 29.700 -0.066 0.000 0.746 248 E HN 0.515 nan 8.360 nan 0.000 0.452 249 E N 0.166 120.274 120.200 -0.154 0.000 2.072 249 E HA -0.162 4.197 4.350 0.015 0.000 0.191 249 E C 2.022 178.429 176.600 -0.320 0.000 0.985 249 E CA 0.752 57.014 56.400 -0.230 0.000 0.801 249 E CB -0.276 29.301 29.700 -0.206 0.000 0.750 249 E HN 0.315 nan 8.360 nan 0.000 0.452 250 M N -0.228 119.222 119.600 -0.250 0.000 2.082 250 M HA -0.217 4.273 4.480 0.015 0.000 0.258 250 M C 1.971 178.058 176.300 -0.355 0.000 1.069 250 M CA 1.509 56.647 55.300 -0.270 0.000 1.102 250 M CB -0.011 32.471 32.600 -0.196 0.000 1.336 250 M HN 0.037 nan 8.290 nan 0.000 0.404 251 M N -0.119 119.280 119.600 -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 1.466 56.515 55.300 -0.418 0.000 1.127 251 M CB -1.184 31.236 32.600 -0.300 0.000 1.379 251 M HN 0.368 nan 8.290 nan 0.000 0.420 252 K N 0.453 120.684 120.400 -0.281 0.000 2.097 252 K HA -0.157 4.172 4.320 0.015 0.000 0.206 252 K C 2.041 178.477 176.600 -0.273 0.000 1.049 252 K CA 1.314 57.478 56.287 -0.205 0.000 0.933 252 K CB 0.115 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 -0.558 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 0.983 56.679 56.100 -0.673 0.000 0.972 253 R CB -0.266 29.479 30.300 -0.925 0.000 0.869 253 R HN 0.185 nan 8.270 nan 0.000 0.437 254 A N 1.160 123.829 122.820 -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 1.621 53.436 52.037 -0.370 0.000 0.631 254 A CB -0.320 18.034 19.000 -1.077 0.000 0.814 254 A HN 0.213 nan 8.150 nan 0.000 0.446 255 E N -1.213 118.911 120.200 -0.127 0.000 2.077 255 E HA -0.133 4.226 4.350 0.015 0.000 0.193 255 E C 1.598 178.417 176.600 0.366 0.000 0.989 255 E CA 1.187 57.706 56.400 0.198 0.000 0.800 255 E CB -0.334 29.450 29.700 0.139 0.000 0.746 255 E HN 0.576 nan 8.360 nan 0.000 0.452 256 F N 0.464 120.560 119.950 0.243 0.000 2.186 256 F HA 0.018 4.552 4.527 0.013 0.000 0.299 256 F C 1.954 177.993 175.800 0.399 0.000 1.090 256 F CA 1.193 59.394 58.000 0.334 0.000 1.307 256 F CB -0.711 38.556 39.000 0.445 0.000 1.019 256 F HN 0.066 nan 8.300 nan 0.000 0.489 257 A N 0.227 123.294 122.820 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 0.132 0.000 1.181 257 A CA 1.901 54.057 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 0.407 nan 8.150 nan 0.000 0.445 258 K N -0.428 120.130 120.400 0.264 0.000 2.057 258 K HA -0.181 4.148 4.320 0.015 0.000 0.206 258 K C 2.071 178.749 176.600 0.130 0.000 1.050 258 K CA 1.573 58.002 56.287 0.236 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 0.560 120.838 120.200 0.130 0.000 2.118 259 E HA -0.170 4.190 4.350 0.015 0.000 0.195 259 E C 1.784 178.373 176.600 -0.019 0.000 0.992 259 E CA 0.861 57.312 56.400 0.085 0.000 0.804 259 E CB 0.036 29.843 29.700 0.179 0.000 0.741 259 E HN 0.321 nan 8.360 nan 0.000 0.458 260 L N -0.532 120.604 121.223 -0.145 0.000 2.554 260 L HA 0.108 4.457 4.340 0.015 0.000 0.226 260 L C 1.315 178.183 176.870 -0.004 0.000 1.137 260 L CA 0.425 55.178 54.840 -0.145 0.000 0.863 260 L CB 0.034 41.912 42.059 -0.302 0.000 0.985 260 L HN 0.376 nan 8.230 nan 0.000 0.451 261 G N 0.105 108.918 108.800 0.022 0.000 2.176 261 G HA2 -0.258 3.712 3.960 0.015 0.000 0.252 261 G HA3 -0.258 3.712 3.960 0.015 0.000 0.252 261 G C 0.253 175.189 174.900 0.061 0.000 1.024 261 G CA -0.207 44.925 45.100 0.053 0.000 0.755 261 G HN 0.102 nan 8.290 nan 0.000 0.507 262 M N 0.383 120.006 119.600 0.038 0.000 2.200 262 M HA 0.208 4.697 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 -0.010 0.000 1.625 262 M HN 0.043 nan 8.290 nan 0.000 0.463 263 P HA 0.176 nan 4.420 nan 0.000 0.231 263 P C 0.060 177.385 177.300 0.040 0.000 1.168 263 P CA 0.795 63.928 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 -0.168 120.439 120.570 0.062 0.000 2.722 264 I HA 0.353 4.532 4.170 0.015 0.000 0.292 264 I C -1.268 174.878 176.117 0.047 0.000 1.267 264 I CA -1.462 59.852 61.300 0.024 0.000 1.036 264 I CB 2.253 40.250 38.000 -0.006 0.000 1.281 264 I HN -0.255 nan 8.210 nan 0.000 0.423 265 I N 4.397 124.982 120.570 0.026 0.000 3.206 265 I HA 0.689 4.868 4.170 0.015 0.000 0.313 265 I C -0.954 175.186 176.117 0.038 0.000 1.103 265 I CA -0.990 60.342 61.300 0.053 0.000 0.985 265 I CB 2.203 40.254 38.000 0.085 0.000 1.240 265 I HN 0.710 nan 8.210 nan 0.000 0.464 266 M N 1.628 121.293 119.600 0.110 0.000 2.690 266 M HA 0.652 5.141 4.480 0.015 0.000 0.302 266 M C -1.617 174.813 176.300 0.216 0.000 1.234 266 M CA -0.514 54.883 55.300 0.162 0.000 0.853 266 M CB 2.343 35.112 32.600 0.282 0.000 1.748 266 M HN 0.782 nan 8.290 nan 0.000 0.469 267 H N -0.129 118.981 119.070 0.065 0.000 3.026 267 H HA 0.424 4.990 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 -0.528 55.548 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 6.066 126.265 120.400 -0.334 0.000 2.453 268 D HA 0.022 4.671 4.640 0.015 0.000 0.223 268 D C 1.128 177.194 176.300 -0.389 0.000 1.183 268 D CA -0.214 53.652 54.000 -0.224 0.000 0.933 268 D CB -0.266 40.418 40.800 -0.192 0.000 1.038 268 D HN 0.521 nan 8.370 nan 0.000 0.513 269 F N 0.882 120.594 119.950 -0.396 0.000 2.293 269 F HA -0.042 4.493 4.527 0.014 0.000 0.300 269 F C 1.241 176.767 175.800 -0.458 0.000 1.086 269 F CA 0.727 58.483 58.000 -0.407 0.000 1.375 269 F CB -0.428 38.378 39.000 -0.323 0.000 1.045 269 F HN 0.171 nan 8.300 nan 0.000 0.516 270 L N 0.517 121.135 121.223 -1.009 0.000 2.202 270 L HA -0.041 4.308 4.340 0.015 0.000 0.205 270 L C 2.657 179.267 176.870 -0.433 0.000 1.083 270 L CA 1.416 55.730 54.840 -0.876 0.000 0.790 270 L CB -0.891 40.647 42.059 -0.868 0.000 0.942 270 L HN 0.366 nan 8.230 nan 0.000 0.452 271 T N -3.059 111.298 114.554 -0.328 0.000 3.014 271 T HA 0.072 4.431 4.350 0.015 0.000 0.263 271 T C 1.792 176.384 174.700 -0.179 0.000 1.078 271 T CA 0.721 62.697 62.100 -0.208 0.000 1.135 271 T CB 0.030 68.803 68.868 -0.157 0.000 0.895 271 T HN 0.240 nan 8.240 nan 0.000 0.480 272 A N 1.560 124.243 122.820 -0.229 0.000 1.903 272 A HA 0.622 4.951 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 0.720 52.673 52.037 -0.140 0.000 0.628 272 A CB -0.798 18.088 19.000 -0.190 0.000 0.830 272 A HN 1.434 nan 8.150 nan 0.000 0.446 273 G N -3.153 105.559 108.800 -0.147 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 -0.061 174.830 174.900 -0.015 0.000 1.258 273 G CA -0.226 44.814 45.100 -0.099 0.000 0.846 273 G HN 0.217 nan 8.290 nan 0.000 0.647 274 F N 0.481 120.488 119.950 0.095 0.000 2.234 274 F HA 0.042 4.578 4.527 0.014 0.000 0.299 274 F C 3.050 178.923 175.800 0.122 0.000 1.087 274 F CA 2.211 60.297 58.000 0.143 0.000 1.340 274 F CB -0.226 38.850 39.000 0.127 0.000 1.031 274 F HN 0.536 nan 8.300 nan 0.000 0.500 275 T N -0.437 114.275 114.554 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 1.301 63.504 62.100 0.171 0.000 1.141 275 T CB -0.556 68.382 68.868 0.118 0.000 0.868 275 T HN 0.262 nan 8.240 nan 0.000 0.444 276 A N 1.961 124.855 122.820 0.124 0.000 1.898 276 A HA -0.110 4.219 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 1.458 53.550 52.037 0.093 0.000 0.620 276 A CB -0.761 18.312 19.000 0.123 0.000 0.819 276 A HN 0.521 nan 8.150 nan 0.000 0.442 277 N N -0.403 118.421 118.700 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 55.223 53.050 0.200 0.000 0.852 277 N CB -0.161 38.503 38.487 0.294 0.000 1.003 277 N HN 0.422 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 1.458 63.647 62.100 0.148 0.000 1.139 278 T CB -0.513 68.460 68.868 0.174 0.000 0.867 278 T HN 0.308 nan 8.240 nan 0.000 0.454 279 T N 2.190 116.787 114.554 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 0.924 63.055 62.100 0.052 0.000 1.148 279 T CB -0.422 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 1.138 122.356 121.223 -0.008 0.000 2.056 280 L HA 0.164 4.514 4.340 0.015 0.000 0.207 280 L C 2.581 179.517 176.870 0.109 0.000 1.078 280 L CA 1.733 56.563 54.840 -0.017 0.000 0.749 280 L CB -0.985 40.917 42.059 -0.261 0.000 0.901 280 L HN 0.215 nan 8.230 nan 0.000 0.433 281 A N -0.641 122.218 122.820 0.065 0.000 1.933 281 A HA -0.176 4.153 4.320 0.015 0.000 0.218 281 A C 2.211 179.829 177.584 0.057 0.000 1.175 281 A CA 1.597 53.668 52.037 0.056 0.000 0.628 281 A CB -0.435 18.588 19.000 0.038 0.000 0.814 281 A HN 0.411 nan 8.150 nan 0.000 0.444 282 K N -1.478 118.970 120.400 0.080 0.000 2.062 282 K HA -0.175 4.154 4.320 0.015 0.000 0.205 282 K C 1.781 178.427 176.600 0.077 0.000 1.051 282 K CA 1.314 57.637 56.287 0.059 0.000 0.941 282 K CB -0.557 31.982 32.500 0.066 0.000 0.719 282 K HN 0.755 nan 8.250 nan 0.000 0.440 283 W N 1.823 123.108 121.300 -0.025 0.000 2.358 283 W HA -0.254 4.410 4.660 0.006 0.000 0.303 283 W C 2.103 178.620 176.519 -0.003 0.000 1.208 283 W CA 1.335 58.672 57.345 -0.014 0.000 1.274 283 W CB -0.401 29.047 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 1.495 60.531 59.018 0.030 0.000 1.752 284 C CB -1.532 26.309 27.740 0.169 0.000 1.998 284 C HN 0.437 nan 8.230 nan 0.000 0.489 285 R N 1.340 121.749 120.500 -0.151 0.000 2.081 285 R HA -0.093 4.256 4.340 0.015 0.000 0.235 285 R C 1.548 177.740 176.300 -0.180 0.000 1.131 285 R CA 1.817 57.788 56.100 -0.216 0.000 0.960 285 R CB -0.552 29.640 30.300 -0.180 0.000 0.856 285 R HN 0.427 nan 8.270 nan 0.000 0.436 286 D N -0.470 119.797 120.400 -0.222 0.000 2.317 286 D HA -0.027 4.622 4.640 0.015 0.000 0.211 286 D C 0.445 176.556 176.300 -0.315 0.000 0.966 286 D CA 0.760 54.623 54.000 -0.229 0.000 0.876 286 D CB 0.092 40.768 40.800 -0.208 0.000 0.927 286 D HN 0.312 nan 8.370 nan 0.000 0.519 287 N N -0.704 117.708 118.700 -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 1.826 39.599 38.487 -1.190 0.000 1.064 287 N HN 0.047 nan 8.380 nan 0.000 0.518 288 G N 1.311 110.033 108.800 -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 -0.170 174.704 174.900 -0.042 0.000 1.041 288 G CA 0.262 45.376 45.100 0.024 0.000 0.807 288 G HN 0.155 nan 8.290 nan 0.000 0.502 289 V N 0.910 120.829 119.914 0.008 0.000 2.435 289 V HA 0.579 4.708 4.120 0.015 0.000 0.290 289 V C 1.013 177.166 176.094 0.099 0.000 1.030 289 V CA -0.901 61.421 62.300 0.037 0.000 0.881 289 V CB 1.728 33.640 31.823 0.148 0.000 0.983 289 V HN 0.340 nan 8.190 nan 0.000 0.445 290 L N 4.558 125.752 121.223 -0.047 0.000 2.436 290 L HA 0.379 4.728 4.340 0.015 0.000 0.265 290 L C -0.395 176.440 176.870 -0.060 0.000 1.168 290 L CA -0.249 54.554 54.840 -0.061 0.000 0.815 290 L CB 0.761 42.713 42.059 -0.179 0.000 1.109 290 L HN 0.437 nan 8.230 nan 0.000 0.462 291 L N 2.469 123.630 121.223 -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 -0.289 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 5.439 124.226 119.070 -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 -0.198 0.000 1.087 292 H CA -0.479 55.242 56.048 -0.544 0.000 1.337 292 H CB 0.777 29.933 29.762 -1.011 0.000 1.440 292 H HN 0.501 nan 8.280 nan 0.000 0.490 293 I N 5.864 126.064 120.570 -0.618 0.000 2.339 293 I HA 0.107 4.286 4.170 0.015 0.000 0.290 293 I C 0.130 176.033 176.117 -0.356 0.000 0.994 293 I CA -0.423 60.664 61.300 -0.355 0.000 1.191 293 I CB 0.833 38.618 38.000 -0.358 0.000 1.343 293 I HN 0.723 nan 8.210 nan 0.000 0.458 294 H N 7.292 126.240 119.070 -0.203 0.000 2.502 294 H HA 0.289 4.854 4.556 0.015 0.000 0.327 294 H C 0.223 175.526 175.328 -0.041 0.000 1.099 294 H CA -0.400 55.497 56.048 -0.252 0.000 1.323 294 H CB 1.260 30.929 29.762 -0.154 0.000 1.450 294 H HN 0.505 nan 8.280 nan 0.000 0.502 295 R N 2.956 123.269 120.500 -0.311 0.000 2.555 295 R HA 0.374 4.723 4.340 0.015 0.000 0.272 295 R C 0.516 176.843 176.300 0.045 0.000 1.089 295 R CA -0.247 55.876 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 1.461 124.400 122.820 0.198 0.000 2.580 296 A HA 0.100 4.429 4.320 0.015 0.000 0.244 296 A C 0.931 178.526 177.584 0.018 0.000 1.045 296 A CA 0.938 53.088 52.037 0.187 0.000 0.761 296 A CB -0.280 18.812 19.000 0.152 0.000 0.962 296 A HN 0.842 nan 8.150 nan 0.000 0.512 297 M N 0.568 120.179 119.600 0.018 0.000 3.035 297 M HA -0.280 4.210 4.480 0.015 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 -0.062 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 -0.758 118.259 119.070 -0.089 0.000 2.422 298 H HA 0.263 4.828 4.556 0.015 0.000 0.298 298 H C 1.697 177.011 175.328 -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 -0.864 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 0.913 52.593 52.037 -0.595 0.000 0.692 299 A CB -0.632 18.031 19.000 -0.561 0.000 0.799 299 A HN 0.352 nan 8.150 nan 0.000 0.458 300 V N -0.180 119.627 119.914 -0.177 0.000 2.594 300 V HA -0.244 3.885 4.120 0.015 0.000 0.253 300 V C 2.163 178.226 176.094 -0.052 0.000 1.069 300 V CA 2.098 64.345 62.300 -0.089 0.000 1.082 300 V CB -0.529 31.250 31.823 -0.074 0.000 0.680 300 V HN 0.618 nan 8.190 nan 0.000 0.469 301 I N 0.342 120.876 120.570 -0.061 0.000 3.172 301 I HA 0.013 4.193 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 0.970 62.257 61.300 -0.022 0.000 1.445 301 I CB -0.021 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 1.785 178.080 176.300 -0.010 0.000 1.114 302 D CA -0.063 53.942 54.000 0.009 0.000 0.837 302 D CB 0.002 40.840 40.800 0.063 0.000 0.984 302 D HN 0.006 nan 8.370 nan 0.000 0.505 303 R N 0.154 120.643 120.500 -0.018 0.000 2.062 303 R HA 0.038 4.388 4.340 0.015 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 0.897 120.738 119.800 0.070 0.000 2.261 304 Q HA 0.080 4.429 4.340 0.015 0.000 0.252 304 Q C 0.268 176.348 176.000 0.135 0.000 0.915 304 Q CA -0.015 55.846 55.803 0.096 0.000 0.915 304 Q CB 1.474 30.271 28.738 0.099 0.000 1.204 304 Q HN 0.456 nan 8.270 nan 0.000 0.421 305 R N 0.821 121.404 120.500 0.138 0.000 2.310 305 R HA 0.012 4.361 4.340 0.015 0.000 0.202 305 R C 0.798 177.190 176.300 0.154 0.000 0.933 305 R CA 0.608 56.808 56.100 0.167 0.000 1.054 305 R CB 0.000 30.401 30.300 0.168 0.000 0.985 305 R HN 0.467 nan 8.270 nan 0.000 0.489 306 N N 0.236 119.025 118.700 0.147 0.000 2.405 306 N HA -0.097 4.652 4.740 0.015 0.000 0.175 306 N C -0.398 175.252 175.510 0.234 0.000 1.051 306 N CA 0.461 53.600 53.050 0.148 0.000 0.899 306 N CB 0.086 38.643 38.487 0.117 0.000 1.000 306 N HN 0.385 nan 8.380 nan 0.000 0.451 307 H N -1.228 117.930 119.070 0.147 0.000 3.026 307 H HA 0.560 5.125 4.556 0.015 0.000 0.352 307 H C -0.007 175.455 175.328 0.222 0.000 1.090 307 H CA 0.404 56.576 56.048 0.207 0.000 1.268 307 H CB 1.455 31.321 29.762 0.173 0.000 1.816 307 H HN 0.358 nan 8.280 nan 0.000 0.518 308 G N 2.566 111.395 108.800 0.049 0.000 2.250 308 G HA2 0.016 3.985 3.960 0.015 0.000 0.252 308 G HA3 0.016 3.985 3.960 0.015 0.000 0.252 308 G C -1.609 173.354 174.900 0.106 0.000 1.325 308 G CA -0.348 44.788 45.100 0.060 0.000 1.091 308 G HN 0.627 nan 8.290 nan 0.000 0.476 309 I N 1.002 121.600 120.570 0.048 0.000 2.498 309 I HA 0.340 4.519 4.170 0.015 0.000 0.290 309 I C 0.186 176.366 176.117 0.106 0.000 1.032 309 I CA -0.904 60.439 61.300 0.072 0.000 1.073 309 I CB 1.988 39.988 38.000 -0.001 0.000 1.251 309 I HN 0.654 nan 8.210 nan 0.000 0.426 310 H N 4.813 123.927 119.070 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 0.576 56.697 56.048 0.121 0.000 1.426 310 H CB 1.076 30.912 29.762 0.124 0.000 1.424 310 H HN 0.648 nan 8.280 nan 0.000 0.599 311 F N 5.176 124.908 119.950 -0.362 0.000 2.202 311 F HA -0.203 4.333 4.527 0.015 0.000 0.301 311 F C 2.653 178.377 175.800 -0.126 0.000 1.082 311 F CA 1.751 59.617 58.000 -0.223 0.000 1.313 311 F CB -0.123 38.633 39.000 -0.408 0.000 1.024 311 F HN 0.661 nan 8.300 nan 0.000 0.495 312 R N -0.162 120.386 120.500 0.081 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 29.478 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 2.465 178.540 176.094 -0.030 0.000 1.044 313 V CA 1.343 63.659 62.300 0.026 0.000 1.036 313 V CB -0.340 31.496 31.823 0.022 0.000 0.664 313 V HN 0.265 nan 8.190 nan 0.000 0.453 314 L N 0.236 121.368 121.223 -0.152 0.000 2.093 314 L HA -0.126 4.224 4.340 0.015 0.000 0.208 314 L C 2.739 179.464 176.870 -0.241 0.000 1.085 314 L CA 1.458 56.244 54.840 -0.090 0.000 0.755 314 L CB -0.829 41.184 42.059 -0.076 0.000 0.904 314 L HN 0.359 nan 8.230 nan 0.000 0.435 315 A N 0.301 122.728 122.820 -0.656 0.000 1.877 315 A HA -0.208 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 1.602 53.322 52.037 -0.530 0.000 0.620 315 A CB -0.323 18.315 19.000 -0.603 0.000 0.822 315 A HN 0.294 nan 8.150 nan 0.000 0.443 316 K N -0.774 119.595 120.400 -0.051 0.000 2.026 316 K HA -0.160 4.169 4.320 0.015 0.000 0.208 316 K C 2.097 178.647 176.600 -0.083 0.000 1.048 316 K CA 1.518 57.886 56.287 0.133 0.000 0.929 316 K CB -0.494 32.206 32.500 0.335 0.000 0.713 316 K HN 0.566 nan 8.250 nan 0.000 0.439 317 C N 1.112 120.351 119.300 -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 59.201 59.018 -0.212 0.000 1.744 317 C CB -0.770 26.895 27.740 -0.127 0.000 1.989 317 C HN 0.487 nan 8.230 nan 0.000 0.491 318 L N 1.571 122.775 121.223 -0.031 0.000 2.056 318 L HA -0.097 4.253 4.340 0.015 0.000 0.207 318 L C 2.727 179.468 176.870 -0.215 0.000 1.078 318 L CA 1.899 56.642 54.840 -0.161 0.000 0.749 318 L CB -0.992 40.723 42.059 -0.573 0.000 0.901 318 L HN 0.363 nan 8.230 nan 0.000 0.433 319 R N -0.184 120.162 120.500 -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 1.407 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 0.423 nan 8.270 nan 0.000 0.446 320 L N -0.493 120.550 121.223 -0.300 0.000 2.023 320 L HA -0.083 4.266 4.340 0.015 0.000 0.205 320 L C 2.617 179.373 176.870 -0.190 0.000 1.073 320 L CA 1.489 56.052 54.840 -0.462 0.000 0.745 320 L CB -0.649 40.718 42.059 -1.153 0.000 0.900 320 L HN 0.286 nan 8.230 nan 0.000 0.435 321 S N -0.815 114.831 115.700 -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 1.130 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 -1.575 107.219 108.800 -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 0.956 nan 8.290 nan 0.000 0.615 323 G N 0.610 109.335 108.800 -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 -0.150 174.675 174.900 -0.126 0.000 1.452 323 G CA 0.134 45.147 45.100 -0.147 0.000 0.940 323 G HN 0.328 nan 8.290 nan 0.000 0.547 324 D N -0.233 120.099 120.400 -0.113 0.000 2.216 324 D HA 0.071 4.720 4.640 0.015 0.000 0.208 324 D C 0.450 176.792 176.300 0.070 0.000 0.960 324 D CA 1.074 55.048 54.000 -0.043 0.000 0.861 324 D CB 0.287 41.055 40.800 -0.052 0.000 0.985 324 D HN 0.586 nan 8.370 nan 0.000 0.493 325 H N -0.768 118.193 119.070 -0.182 0.000 2.670 325 H HA 0.565 5.131 4.556 0.016 0.000 0.361 325 H C -0.973 174.178 175.328 -0.295 0.000 1.169 325 H CA -1.087 54.834 56.048 -0.212 0.000 1.198 325 H CB 2.598 32.242 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 4.549 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 54.391 54.840 -0.132 0.000 0.852 326 L CB 1.486 43.463 42.059 -0.136 0.000 1.282 326 L HN 0.719 nan 8.230 nan 0.000 0.403 327 H N 2.693 121.629 119.070 -0.223 0.000 3.001 327 H HA 0.158 4.723 4.556 0.015 0.000 0.334 327 H C 0.292 175.506 175.328 -0.190 0.000 1.034 327 H CA 0.851 56.768 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 1.720 117.384 115.700 -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 58.313 58.200 0.129 0.000 1.015 328 S CB 1.131 64.498 63.200 0.278 0.000 0.981 328 S HN 1.093 nan 8.310 nan 0.000 0.547 329 G N 1.361 110.127 108.800 -0.055 0.000 2.756 329 G HA2 -0.109 3.860 3.960 0.015 0.000 0.678 329 G HA3 -0.109 3.860 3.960 0.015 0.000 0.678 329 G C 0.303 175.232 174.900 0.047 0.000 1.349 329 G CA 0.196 45.295 45.100 -0.001 0.000 0.847 329 G HN 0.988 nan 8.290 nan 0.000 0.548 330 T N -3.464 111.122 114.554 0.053 0.000 2.955 330 T HA 0.441 4.801 4.350 0.015 0.000 0.251 330 T C 1.853 176.630 174.700 0.127 0.000 1.002 330 T CA 1.377 63.525 62.100 0.081 0.000 0.970 330 T CB 0.437 69.251 68.868 -0.090 0.000 1.091 330 T HN 2.267 nan 8.240 nan 0.000 0.495 331 V N 0.838 120.796 119.914 0.072 0.000 0.449 331 V HA -0.330 3.799 4.120 0.015 0.000 0.092 331 V C 2.073 178.160 176.094 -0.012 0.000 2.531 331 V CA 2.001 64.319 62.300 0.028 0.000 3.708 331 V CB -1.936 29.893 31.823 0.009 0.000 0.981 331 V HN 0.721 nan 8.190 nan 0.000 1.031 332 V N -1.523 118.353 119.914 -0.064 0.000 3.650 332 V HA 0.670 4.800 4.120 0.015 0.000 0.271 332 V C 1.296 177.232 176.094 -0.264 0.000 1.281 332 V CA 1.336 63.555 62.300 -0.136 0.000 1.120 332 V CB 0.046 31.775 31.823 -0.157 0.000 0.856 332 V HN 0.866 nan 8.190 nan 0.000 0.443 333 G N 1.415 110.071 108.800 -0.240 0.000 2.531 333 G HA2 0.266 4.235 3.960 0.015 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 -1.194 119.176 120.400 -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 1.547 122.766 121.223 -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 53.736 54.840 0.007 0.000 0.816 335 L CB 1.841 43.910 42.059 0.017 0.000 1.287 335 L HN 0.083 nan 8.230 nan 0.000 0.435 336 E N 0.580 120.793 120.200 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 -0.154 56.267 56.400 0.035 0.000 0.887 336 E CB 0.904 30.625 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 -1.549 173.401 174.900 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 1.568 122.035 120.400 0.113 0.000 2.351 338 D HA 0.217 4.866 4.640 0.015 0.000 0.251 338 D C 1.478 177.791 176.300 0.023 0.000 1.137 338 D CA -0.323 53.726 54.000 0.081 0.000 0.879 338 D CB 1.541 42.417 40.800 0.128 0.000 1.181 338 D HN 0.352 nan 8.370 nan 0.000 0.448 339 K N 3.469 123.861 120.400 -0.013 0.000 2.026 339 K HA -0.142 4.187 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 1.586 57.828 56.287 -0.076 0.000 0.929 339 K CB -0.224 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 0.194 122.975 122.820 -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 54.122 52.037 -0.071 0.000 0.620 340 A CB -1.089 17.889 19.000 -0.037 0.000 0.822 340 A HN 0.402 nan 8.150 nan 0.000 0.443 341 S N -0.863 114.823 115.700 -0.023 0.000 2.359 341 S HA -0.145 4.334 4.470 0.015 0.000 0.224 341 S C 2.124 176.569 174.600 -0.257 0.000 1.035 341 S CA 2.001 60.224 58.200 0.037 0.000 1.018 341 S CB -0.487 62.873 63.200 0.267 0.000 0.876 341 S HN 0.711 nan 8.310 nan 0.000 0.448 342 T N 2.623 116.910 114.554 -0.444 0.000 2.746 342 T HA 0.012 4.371 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 1.062 62.572 62.100 -0.985 0.000 1.142 342 T CB -0.375 68.238 68.868 -0.425 0.000 0.866 342 T HN 0.276 nan 8.240 nan 0.000 0.444 343 L N 0.625 121.613 121.223 -0.391 0.000 2.131 343 L HA -0.033 4.316 4.340 0.015 0.000 0.210 343 L C 2.943 179.705 176.870 -0.179 0.000 1.092 343 L CA 1.261 55.944 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 1.023 109.725 108.800 -0.165 0.000 2.433 344 G HA2 -0.305 3.664 3.960 0.015 0.000 0.216 344 G HA3 -0.305 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 0.967 46.050 45.100 -0.028 0.000 0.779 344 G HN 0.480 nan 8.290 nan 0.000 0.543 345 F N 0.460 120.499 119.950 0.148 0.000 2.615 345 F HA 0.310 4.847 4.527 0.016 0.000 0.297 345 F C 2.093 177.985 175.800 0.152 0.000 1.124 345 F CA -0.234 57.870 58.000 0.174 0.000 1.451 345 F CB -0.758 38.394 39.000 0.252 0.000 1.103 345 F HN -0.016 nan 8.300 nan 0.000 0.569 346 V N 1.198 121.233 119.914 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 0.012 120.467 120.400 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 1.093 55.144 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 0.469 121.806 121.223 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 0.098 0.000 1.092 348 L CA 0.887 55.890 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 0.158 nan 8.230 nan 0.000 0.435 349 M N -2.628 116.988 119.600 0.025 0.000 2.502 349 M HA 0.053 4.542 4.480 0.015 0.000 0.243 349 M C 1.906 178.080 176.300 -0.210 0.000 1.130 349 M CA 1.044 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 0.417 120.851 120.500 -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 0.002 4.361 4.350 0.015 0.000 0.257 351 E C -0.078 176.577 176.600 0.091 0.000 1.155 351 E CA 0.154 56.581 56.400 0.043 0.000 0.936 351 E CB 1.060 30.820 29.700 0.100 0.000 1.130 351 E HN 0.012 nan 8.360 nan 0.000 0.465 352 D N -1.124 119.385 120.400 0.182 0.000 2.355 352 D HA -0.073 4.576 4.640 0.015 0.000 0.206 352 D C -0.329 176.216 176.300 0.409 0.000 1.010 352 D CA 0.574 54.747 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 0.278 nan 8.370 nan 0.000 0.512 353 H N -0.251 118.951 119.070 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 -0.635 55.509 56.048 0.161 0.000 1.341 353 H CB 0.545 30.365 29.762 0.097 0.000 1.739 353 H HN -0.135 nan 8.280 nan 0.000 0.506 354 I N 4.795 125.190 120.570 -0.292 0.000 2.439 354 I HA 0.123 4.303 4.170 0.015 0.000 0.285 354 I C 0.185 176.149 176.117 -0.256 0.000 1.021 354 I CA -0.546 60.676 61.300 -0.131 0.000 1.091 354 I CB 1.609 39.641 38.000 0.053 0.000 1.242 354 I HN 0.390 nan 8.210 nan 0.000 0.439 355 E N 3.978 124.093 120.200 -0.142 0.000 2.392 355 E HA 0.333 4.692 4.350 0.015 0.000 0.264 355 E C 0.147 176.726 176.600 -0.036 0.000 1.024 355 E CA -0.213 56.150 56.400 -0.061 0.000 0.903 355 E CB 1.141 30.867 29.700 0.043 0.000 0.963 355 E HN 0.664 nan 8.360 nan 0.000 0.432 356 A N 2.949 125.755 122.820 -0.023 0.000 2.565 356 A HA 0.025 4.354 4.320 0.015 0.000 0.237 356 A C 0.115 177.657 177.584 -0.069 0.000 1.053 356 A CA 0.398 52.412 52.037 -0.038 0.000 0.755 356 A CB 0.113 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 1.037 121.370 120.400 -0.111 0.000 2.312 357 D HA 0.185 4.834 4.640 0.015 0.000 0.229 357 D C 0.801 176.982 176.300 -0.197 0.000 1.337 357 D CA -0.528 53.398 54.000 -0.124 0.000 0.964 357 D CB 0.478 41.232 40.800 -0.076 0.000 1.456 357 D HN 0.388 nan 8.370 nan 0.000 0.547 358 R N 1.024 121.362 120.500 -0.271 0.000 2.189 358 R HA -0.046 4.303 4.340 0.015 0.000 0.223 358 R C 1.728 177.872 176.300 -0.259 0.000 1.092 358 R CA 1.043 56.900 56.100 -0.406 0.000 0.989 358 R CB -0.385 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 0.184 115.787 115.700 -0.161 0.000 2.481 359 S HA -0.013 4.466 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 0.481 58.619 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 0.111 120.552 120.500 -0.097 0.000 2.543 360 R HA 0.318 4.667 4.340 0.015 0.000 0.323 360 R C 1.146 177.412 176.300 -0.056 0.000 1.002 360 R CA 0.336 56.395 56.100 -0.068 0.000 1.106 360 R CB 0.503 30.766 30.300 -0.062 0.000 1.280 360 R HN 0.523 nan 8.270 nan 0.000 0.549 361 G N 1.060 109.792 108.800 -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 0.093 45.135 45.100 -0.097 0.000 0.665 361 G HN 0.143 nan 8.290 nan 0.000 0.528 362 V N 1.619 121.481 119.914 -0.087 0.000 2.339 362 V HA 0.454 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 -0.294 62.005 62.300 -0.002 0.000 0.897 362 V CB 0.277 32.107 31.823 0.011 0.000 1.052 362 V HN 0.216 nan 8.190 nan 0.000 0.480 363 F N 3.397 123.195 119.950 -0.253 0.000 2.293 363 F HA 0.216 4.753 4.527 0.015 0.000 0.297 363 F C 0.738 176.214 175.800 -0.539 0.000 1.089 363 F CA 0.851 58.560 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 -1.200 118.854 119.950 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 -1.725 56.324 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 1.922 116.574 114.554 0.163 0.000 2.853 365 T HA 0.221 4.580 4.350 0.015 0.000 0.298 365 T C -0.375 174.301 174.700 -0.041 0.000 0.978 365 T CA -0.003 62.099 62.100 0.003 0.000 1.152 365 T CB 0.472 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 2.838 122.558 119.800 -0.133 0.000 2.331 366 Q HA 0.330 4.679 4.340 0.015 0.000 0.267 366 Q C -1.221 174.611 176.000 -0.280 0.000 1.006 366 Q CA -0.510 55.166 55.803 -0.212 0.000 0.818 366 Q CB 1.102 29.739 28.738 -0.169 0.000 1.276 366 Q HN 0.525 nan 8.270 nan 0.000 0.450 367 D N 2.689 122.914 120.400 -0.291 0.000 2.252 367 D HA 0.249 4.898 4.640 0.015 0.000 0.245 367 D C -0.358 175.745 176.300 -0.328 0.000 1.009 367 D CA -0.169 53.750 54.000 -0.136 0.000 0.870 367 D CB 0.937 41.750 40.800 0.021 0.000 1.251 367 D HN 0.751 nan 8.370 nan 0.000 0.460 368 W N 0.311 121.640 121.300 0.049 0.000 2.714 368 W HA 0.300 4.969 4.660 0.015 0.000 0.353 368 W C 0.958 177.491 176.519 0.024 0.000 0.999 368 W CA -0.322 57.035 57.345 0.019 0.000 1.629 368 W CB 0.401 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 0.779 123.722 122.820 0.205 0.000 2.704 369 A HA -0.237 4.092 4.320 0.015 0.000 0.299 369 A C 1.243 178.910 177.584 0.137 0.000 1.507 369 A CA 1.268 53.388 52.037 0.138 0.000 0.776 369 A CB -1.875 17.185 19.000 0.099 0.000 1.027 369 A HN 0.701 nan 8.150 nan 0.000 0.475 370 S N -3.380 112.411 115.700 0.152 0.000 3.361 370 S HA -0.257 4.222 4.470 0.015 0.000 0.288 370 S C 0.325 174.978 174.600 0.089 0.000 1.269 370 S CA 1.361 59.624 58.200 0.106 0.000 0.976 370 S CB -1.959 61.285 63.200 0.074 0.000 1.162 370 S HN 1.817 nan 8.310 nan 0.000 0.643 371 M N 2.472 122.148 119.600 0.127 0.000 2.246 371 M HA 0.187 4.676 4.480 0.015 0.000 0.350 371 M C -2.235 174.047 176.300 -0.029 0.000 1.406 371 M CA -1.240 54.101 55.300 0.068 0.000 1.089 371 M CB 0.396 33.080 32.600 0.140 0.000 1.782 371 M HN -0.135 nan 8.290 nan 0.000 0.457 372 P HA 0.061 nan 4.420 nan 0.000 0.267 372 P C -0.351 176.852 177.300 -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 0.638 109.355 108.800 -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 -0.141 0.000 1.196 373 G CA -0.424 44.563 45.100 -0.188 0.000 0.908 373 G HN 0.375 nan 8.290 nan 0.000 0.524 374 V N 0.902 120.724 119.914 -0.155 0.000 2.459 374 V HA 0.289 4.418 4.120 0.015 0.000 0.295 374 V C 0.342 176.404 176.094 -0.053 0.000 1.029 374 V CA -0.668 61.569 62.300 -0.103 0.000 0.874 374 V CB 1.640 33.371 31.823 -0.154 0.000 0.985 374 V HN 0.567 nan 8.190 nan 0.000 0.438 375 L N 7.845 129.058 121.223 -0.017 0.000 2.418 375 L HA 0.260 4.609 4.340 0.015 0.000 0.274 375 L C -1.918 174.898 176.870 -0.090 0.000 1.135 375 L CA -1.308 53.497 54.840 -0.058 0.000 0.870 375 L CB 1.238 43.217 42.059 -0.133 0.000 1.154 375 L HN 0.438 nan 8.230 nan 0.000 0.462 376 P HA 0.071 nan 4.420 nan 0.000 0.276 376 P C -0.884 176.261 177.300 -0.259 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 3.156 122.884 119.914 -0.312 0.000 2.350 377 V HA 0.484 4.613 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 1.231 32.777 31.823 -0.461 0.000 1.000 377 V HN 0.676 nan 8.190 nan 0.000 0.433 378 A N 3.879 126.328 122.820 -0.620 0.000 2.269 378 A HA 0.799 5.129 4.320 0.015 0.000 0.302 378 A C 0.092 177.403 177.584 -0.456 0.000 1.266 378 A CA -0.171 51.513 52.037 -0.589 0.000 0.894 378 A CB 0.887 19.421 19.000 -0.776 0.000 1.147 378 A HN 0.823 nan 8.150 nan 0.000 0.537 379 S N 1.612 117.109 115.700 -0.339 0.000 2.533 379 S HA 0.751 5.230 4.470 0.015 0.000 0.271 379 S C -0.515 173.995 174.600 -0.150 0.000 1.143 379 S CA 0.372 58.413 58.200 -0.265 0.000 0.891 379 S CB 1.332 64.424 63.200 -0.180 0.000 1.105 379 S HN 2.562 nan 8.310 nan 0.000 0.468 380 G N 1.720 110.429 108.800 -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 0.287 109.039 108.800 -0.080 0.000 2.160 381 G HA2 -0.027 3.943 3.960 0.015 0.000 0.251 381 G HA3 -0.027 3.943 3.960 0.015 0.000 0.251 381 G C 0.604 175.465 174.900 -0.064 0.000 1.008 381 G CA 0.978 46.048 45.100 -0.049 0.000 0.724 381 G HN 2.289 nan 8.290 nan 0.000 0.514 382 I N -1.959 118.545 120.570 -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 0.272 0.000 0.992 382 I CA -1.375 59.918 61.300 -0.011 0.000 1.162 382 I CB 1.574 39.451 38.000 -0.206 0.000 1.332 382 I HN 0.303 nan 8.210 nan 0.000 0.458 383 H N 1.793 121.199 119.070 0.560 0.000 2.959 383 H HA 0.500 5.065 4.556 0.015 0.000 0.296 383 H C 0.715 176.176 175.328 0.220 0.000 1.421 383 H CA -0.425 55.775 56.048 0.253 0.000 1.206 383 H CB 0.442 30.192 29.762 -0.020 0.000 1.891 383 H HN 0.326 nan 8.280 nan 0.000 0.573 384 V N -2.978 117.076 119.914 0.235 0.000 2.380 384 V HA -0.245 3.884 4.120 0.015 0.000 0.251 384 V C 1.429 177.516 176.094 -0.012 0.000 1.063 384 V CA 1.812 64.084 62.300 -0.046 0.000 1.055 384 V CB -1.291 30.395 31.823 -0.228 0.000 0.657 384 V HN 0.781 nan 8.190 nan 0.000 0.455 385 W N -0.246 121.161 121.300 0.178 0.000 2.468 385 W HA -0.014 4.656 4.660 0.015 0.000 0.262 385 W C 2.600 179.065 176.519 -0.091 0.000 1.241 385 W CA 1.177 58.535 57.345 0.021 0.000 1.232 385 W CB -0.452 29.047 29.460 0.064 0.000 1.124 385 W HN 0.355 nan 8.180 nan 0.000 0.597 386 H N -0.983 118.219 119.070 0.220 0.000 2.548 386 H HA 0.003 4.569 4.556 0.015 0.000 0.268 386 H C 1.902 177.321 175.328 0.151 0.000 0.975 386 H CA 1.003 57.125 56.048 0.124 0.000 1.195 386 H CB -0.396 29.380 29.762 0.024 0.000 1.397 386 H HN 0.177 nan 8.280 nan 0.000 0.572 387 M N 1.695 121.438 119.600 0.238 0.000 2.080 387 M HA -0.081 4.408 4.480 0.015 0.000 0.260 387 M C -0.917 175.479 176.300 0.160 0.000 1.068 387 M CA 1.603 57.019 55.300 0.193 0.000 1.109 387 M CB -0.866 31.779 32.600 0.076 0.000 1.342 387 M HN 0.065 nan 8.290 nan 0.000 0.405 388 P HA -0.017 nan 4.420 nan 0.000 0.217 388 P C 1.056 178.439 177.300 0.137 0.000 1.151 388 P CA 2.022 65.175 63.100 0.089 0.000 0.828 388 P CB -0.359 31.351 31.700 0.017 0.000 0.788 389 A N 0.158 123.072 122.820 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 1.289 53.465 52.037 0.232 0.000 0.620 389 A CB -1.602 17.523 19.000 0.208 0.000 0.819 389 A HN 0.099 nan 8.150 nan 0.000 0.442 390 L N -0.508 120.862 121.223 0.245 0.000 2.046 390 L HA -0.164 4.185 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 1.145 56.174 54.840 0.316 0.000 0.747 390 L CB -0.601 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 -0.104 119.949 119.914 0.232 0.000 2.427 391 V HA -0.272 3.857 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 1.942 64.357 62.300 0.191 0.000 1.048 391 V CB -0.436 31.478 31.823 0.151 0.000 0.666 391 V HN 0.471 nan 8.190 nan 0.000 0.456 392 E N 0.611 120.933 120.200 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 1.865 58.371 56.400 0.176 0.000 0.799 392 E CB -0.273 29.772 29.700 0.576 0.000 0.748 392 E HN 0.592 nan 8.360 nan 0.000 0.449 393 I N -0.707 119.815 120.570 -0.080 0.000 2.233 393 I HA -0.176 4.003 4.170 0.015 0.000 0.243 393 I C 1.563 177.401 176.117 -0.464 0.000 1.093 393 I CA 0.962 62.038 61.300 -0.372 0.000 1.380 393 I CB -0.128 37.505 38.000 -0.611 0.000 1.067 393 I HN 0.132 nan 8.210 nan 0.000 0.413 394 F N 0.409 120.360 119.950 0.002 0.000 2.656 394 F HA 0.335 4.871 4.527 0.016 0.000 0.291 394 F C 1.596 177.399 175.800 0.004 0.000 1.122 394 F CA 0.547 58.543 58.000 -0.006 0.000 1.427 394 F CB -0.599 38.395 39.000 -0.009 0.000 1.125 394 F HN 0.146 nan 8.300 nan 0.000 0.583 395 G N 0.710 109.602 108.800 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 0.456 120.909 120.400 0.090 0.000 2.183 396 D HA 0.042 4.691 4.640 0.015 0.000 0.203 396 D C 0.912 177.256 176.300 0.073 0.000 0.969 396 D CA 1.254 55.302 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 0.758 121.201 120.400 0.072 0.000 2.619 397 D HA 0.172 4.821 4.640 0.015 0.000 0.224 397 D C -0.089 176.234 176.300 0.037 0.000 1.133 397 D CA 0.069 54.101 54.000 0.053 0.000 1.017 397 D CB 0.016 40.847 40.800 0.052 0.000 1.077 397 D HN 0.011 nan 8.370 nan 0.000 0.503 398 S N -1.288 114.416 115.700 0.007 0.000 2.588 398 S HA 0.603 5.082 4.470 0.015 0.000 0.269 398 S C -0.965 173.576 174.600 -0.098 0.000 1.157 398 S CA -0.900 57.260 58.200 -0.067 0.000 0.824 398 S CB 1.742 64.918 63.200 -0.041 0.000 1.126 398 S HN -0.088 nan 8.310 nan 0.000 0.464 399 V N 1.757 121.560 119.914 -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 1.196 32.925 31.823 -0.157 0.000 0.988 399 V HN 0.820 nan 8.190 nan 0.000 0.431 400 L N 5.049 126.211 121.223 -0.100 0.000 2.296 400 L HA 0.617 4.966 4.340 0.015 0.000 0.286 400 L C -0.239 176.495 176.870 -0.227 0.000 1.023 400 L CA -0.401 54.323 54.840 -0.193 0.000 0.812 400 L CB 1.438 43.500 42.059 0.004 0.000 1.223 400 L HN 0.601 nan 8.230 nan 0.000 0.421 401 Q N 3.421 122.921 119.800 -0.500 0.000 2.333 401 Q HA 0.556 4.905 4.340 0.015 0.000 0.267 401 Q C -1.579 174.028 176.000 -0.654 0.000 1.012 401 Q CA -0.527 55.055 55.803 -0.368 0.000 0.824 401 Q CB 2.769 31.380 28.738 -0.212 0.000 1.290 401 Q HN 0.410 nan 8.270 nan 0.000 0.449 402 F N 0.667 120.582 119.950 -0.058 0.000 2.513 402 F HA 0.359 4.895 4.527 0.015 0.000 0.358 402 F C 0.830 176.587 175.800 -0.071 0.000 1.118 402 F CA -0.653 57.303 58.000 -0.075 0.000 1.037 402 F CB 1.400 40.355 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 1.752 176.662 174.900 0.018 0.000 1.279 403 G CA 0.600 45.712 45.100 0.021 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 1.306 46.387 45.100 -0.031 0.000 0.758 404 G HN 0.682 nan 8.290 nan 0.000 0.559 405 G N -0.781 107.884 108.800 -0.224 0.000 2.776 405 G HA2 0.168 4.137 3.960 0.015 0.000 0.209 405 G HA3 0.168 4.137 3.960 0.015 0.000 0.209 405 G C 1.389 176.237 174.900 -0.087 0.000 1.145 405 G CA 1.447 46.302 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 1.991 176.773 174.700 0.136 0.000 0.983 406 T CA -0.078 62.073 62.100 0.085 0.000 1.151 406 T CB -0.021 68.876 68.868 0.049 0.000 0.974 406 T HN 0.051 nan 8.240 nan 0.000 0.442 407 L N 1.522 122.808 121.223 0.106 0.000 2.465 407 L HA 0.261 4.611 4.340 0.015 0.000 0.224 407 L C 2.259 179.239 176.870 0.182 0.000 1.145 407 L CA 0.913 55.818 54.840 0.110 0.000 0.834 407 L CB -0.314 41.781 42.059 0.060 0.000 0.944 407 L HN 0.367 nan 8.230 nan 0.000 0.451 408 G N -3.028 105.944 108.800 0.287 0.000 3.189 408 G HA2 -0.104 3.865 3.960 0.015 0.000 0.225 408 G HA3 -0.104 3.865 3.960 0.015 0.000 0.225 408 G C 0.507 175.699 174.900 0.487 0.000 1.159 408 G CA -0.307 45.047 45.100 0.425 0.000 0.763 408 G HN 0.297 nan 8.290 nan 0.000 0.549 409 H N 2.466 121.739 119.070 0.338 0.000 3.253 409 H HA 0.056 4.621 4.556 0.015 0.000 0.250 409 H C -0.974 174.319 175.328 -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 1.443 64.462 63.100 -0.135 0.000 0.847 410 P CB -0.089 31.464 31.700 -0.245 0.000 0.769 411 W N -0.728 120.549 121.300 -0.038 0.000 3.127 411 W HA 0.526 5.195 4.660 0.015 0.000 0.344 411 W C 1.319 177.877 176.519 0.064 0.000 1.151 411 W CA 0.536 57.897 57.345 0.027 0.000 1.765 411 W CB -0.500 28.997 29.460 0.061 0.000 1.085 411 W HN 0.117 nan 8.180 nan 0.000 0.596 412 G N 0.941 109.900 108.800 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 0.087 118.849 118.700 0.103 0.000 2.109 413 N HA 0.144 4.893 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 2.576 55.660 53.050 0.057 0.000 0.846 413 N CB -0.701 37.804 38.487 0.029 0.000 1.010 413 N HN 1.057 nan 8.380 nan 0.000 0.425 414 A N 1.526 124.350 122.820 0.007 0.000 1.902 414 A HA -0.043 4.286 4.320 0.015 0.000 0.217 414 A C -0.364 177.178 177.584 -0.070 0.000 1.181 414 A CA 1.319 53.333 52.037 -0.039 0.000 0.623 414 A CB -1.487 17.505 19.000 -0.012 0.000 0.818 414 A HN 0.249 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 -0.798 0.000 1.150 415 P CA 1.682 64.696 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 0.655 109.188 108.800 -0.446 0.000 2.440 416 G HA2 -0.248 3.721 3.960 0.015 0.000 0.218 416 G HA3 -0.248 3.721 3.960 0.015 0.000 0.218 416 G C 1.748 176.466 174.900 -0.302 0.000 1.154 416 G CA 1.089 45.995 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 0.014 4.343 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 2.371 54.310 52.037 -0.163 0.000 0.620 417 A CB -0.935 17.983 19.000 -0.137 0.000 0.819 417 A HN 0.278 nan 8.150 nan 0.000 0.442 418 T N 0.242 114.655 114.554 -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 -0.442 68.335 68.868 -0.151 0.000 0.866 418 T HN 0.597 nan 8.240 nan 0.000 0.444 419 A N 1.998 124.584 122.820 -0.391 0.000 1.883 419 A HA -0.211 4.119 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 2.205 54.062 52.037 -0.299 0.000 0.624 419 A CB -0.929 17.921 19.000 -0.251 0.000 0.822 419 A HN 0.626 nan 8.150 nan 0.000 0.444 420 N N -1.334 117.239 118.700 -0.211 0.000 2.142 420 N HA -0.149 4.600 4.740 0.015 0.000 0.186 420 N C 1.962 177.362 175.510 -0.184 0.000 1.023 420 N CA 1.307 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 1.056 57.099 56.100 -0.095 0.000 0.960 421 R CB -0.719 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 0.756 120.618 119.914 -0.086 0.000 2.307 422 V HA -0.168 3.962 4.120 0.015 0.000 0.245 422 V C 2.346 178.388 176.094 -0.087 0.000 1.045 422 V CA 1.887 64.156 62.300 -0.052 0.000 1.024 422 V CB -0.931 30.804 31.823 -0.147 0.000 0.651 422 V HN 0.536 nan 8.190 nan 0.000 0.449 423 A N -0.188 122.536 122.820 -0.161 0.000 1.908 423 A HA -0.230 4.099 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 2.279 54.213 52.037 -0.171 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 -0.067 121.097 121.223 -0.099 0.000 2.005 424 L HA -0.130 4.220 4.340 0.015 0.000 0.207 424 L C 2.226 179.089 176.870 -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 -0.282 119.917 120.200 -0.002 0.000 2.153 425 E HA -0.199 4.160 4.350 0.015 0.000 0.194 425 E C 2.131 178.759 176.600 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 1.150 53.231 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 -1.445 117.868 119.300 0.021 0.000 2.466 427 C HA -0.012 4.457 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 0.902 59.936 59.018 0.027 0.000 1.722 427 C CB -1.115 26.640 27.740 0.025 0.000 2.017 427 C HN 0.453 nan 8.230 nan 0.000 0.488 428 V N 0.651 120.587 119.914 0.036 0.000 2.358 428 V HA -0.271 3.859 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 4.110 4.340 0.015 0.000 0.204 429 Q C 2.269 178.290 176.000 0.036 0.000 0.984 429 Q CA 2.198 58.022 55.803 0.036 0.000 0.846 429 Q CB -0.288 28.473 28.738 0.039 0.000 0.902 429 Q HN 0.620 nan 8.270 nan 0.000 0.421 430 A N 1.372 124.217 122.820 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 1.571 53.631 52.037 0.039 0.000 0.620 430 A CB -0.774 18.250 19.000 0.040 0.000 0.822 430 A HN 0.455 nan 8.150 nan 0.000 0.443 431 R N -0.246 120.280 120.500 0.044 0.000 2.083 431 R HA -0.204 4.145 4.340 0.015 0.000 0.237 431 R C 1.653 177.977 176.300 0.041 0.000 1.137 431 R CA 2.031 58.159 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 0.840 119.563 118.700 0.039 0.000 2.289 432 N HA -0.137 4.612 4.740 0.015 0.000 0.184 432 N C 1.097 176.623 175.510 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 -0.928 119.288 120.200 0.027 0.000 2.435 433 E HA 0.121 4.480 4.350 0.015 0.000 0.195 433 E C 0.738 177.353 176.600 0.024 0.000 1.029 433 E CA 0.366 56.779 56.400 0.023 0.000 0.865 433 E CB 0.167 29.881 29.700 0.022 0.000 0.833 433 E HN 0.417 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 0.109 175.030 174.900 0.034 0.000 0.995 434 G CA -0.523 44.594 45.100 0.029 0.000 0.651 434 G HN 0.026 nan 8.290 nan 0.000 0.511 435 R N 0.694 121.215 120.500 0.036 0.000 2.543 435 R HA 0.323 4.673 4.340 0.015 0.000 0.277 435 R C -0.615 175.716 176.300 0.050 0.000 1.074 435 R CA -0.347 55.777 56.100 0.040 0.000 1.076 435 R CB 0.680 31.003 30.300 0.038 0.000 0.993 435 R HN 0.247 nan 8.270 nan 0.000 0.459 436 D N 2.950 123.385 120.400 0.058 0.000 2.336 436 D HA 0.044 4.694 4.640 0.015 0.000 0.249 436 D C 1.127 177.481 176.300 0.089 0.000 1.213 436 D CA -0.088 53.960 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 3.593 124.877 121.223 0.101 0.000 2.131 437 L HA -0.171 4.178 4.340 0.015 0.000 0.210 437 L C 1.708 178.649 176.870 0.119 0.000 1.092 437 L CA 0.853 55.752 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 4.321 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 -0.168 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 -1.035 119.161 120.200 -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 0.959 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 1.622 110.418 108.800 -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 46.035 45.100 0.003 0.000 0.771 441 G HN 0.381 nan 8.290 nan 0.000 0.551 442 G N 0.657 109.464 108.800 0.011 0.000 2.440 442 G HA2 -0.187 3.783 3.960 0.015 0.000 0.218 442 G HA3 -0.187 3.783 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 0.683 121.085 120.400 0.003 0.000 2.097 443 D HA -0.057 4.592 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 0.480 54.479 54.000 -0.001 0.000 0.826 443 D CB -0.201 40.606 40.800 0.011 0.000 0.973 443 D HN 0.363 nan 8.370 nan 0.000 0.460 444 I N 0.856 121.415 120.570 -0.017 0.000 2.264 444 I HA -0.259 3.920 4.170 0.015 0.000 0.248 444 I C 2.458 178.537 176.117 -0.063 0.000 1.111 444 I CA 0.802 62.093 61.300 -0.016 0.000 1.382 444 I CB -0.147 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 -0.285 120.866 121.223 -0.119 0.000 2.072 445 L HA -0.165 4.185 4.340 0.015 0.000 0.205 445 L C 2.760 179.477 176.870 -0.255 0.000 1.079 445 L CA 1.091 55.799 54.840 -0.221 0.000 0.752 445 L CB -0.435 41.432 42.059 -0.318 0.000 0.906 445 L HN 0.093 nan 8.230 nan 0.000 0.436 446 R N 0.356 120.736 120.500 -0.200 0.000 2.083 446 R HA -0.172 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 1.397 57.405 56.100 -0.154 0.000 0.951 446 R CB -0.371 29.892 30.300 -0.063 0.000 0.851 446 R HN 0.378 nan 8.270 nan 0.000 0.434 447 E N -0.344 119.816 120.200 -0.066 0.000 2.033 447 E HA -0.255 4.105 4.350 0.015 0.000 0.199 447 E C 1.992 178.560 176.600 -0.054 0.000 1.011 447 E CA 1.541 57.942 56.400 0.001 0.000 0.815 447 E CB -0.270 29.466 29.700 0.059 0.000 0.755 447 E HN 0.431 nan 8.360 nan 0.000 0.451 448 A N 1.005 123.727 122.820 -0.163 0.000 1.972 448 A HA -0.078 4.251 4.320 0.015 0.000 0.219 448 A C 2.404 179.438 177.584 -0.915 0.000 1.169 448 A CA 1.539 53.251 52.037 -0.542 0.000 0.635 448 A CB -0.962 17.818 19.000 -0.367 0.000 0.810 448 A HN 0.368 nan 8.150 nan 0.000 0.446 449 G N -0.561 107.936 108.800 -0.505 0.000 2.470 449 G HA2 -0.203 3.767 3.960 0.015 0.000 0.220 449 G HA3 -0.203 3.767 3.960 0.015 0.000 0.220 449 G C 1.568 176.275 174.900 -0.321 0.000 1.121 449 G CA 1.252 46.101 45.100 -0.418 0.000 0.766 449 G HN 0.489 nan 8.290 nan 0.000 0.553 450 K N 0.158 120.412 120.400 -0.243 0.000 2.097 450 K HA -0.040 4.289 4.320 0.015 0.000 0.206 450 K C 2.026 178.635 176.600 0.015 0.000 1.049 450 K CA 1.536 57.785 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 -2.108 119.183 121.300 -0.016 0.000 3.103 451 W HA 0.425 5.094 4.660 0.015 0.000 0.325 451 W C -0.097 176.421 176.519 -0.002 0.000 1.170 451 W CA -0.435 56.906 57.345 -0.006 0.000 1.712 451 W CB -0.101 29.353 29.460 -0.010 0.000 1.068 451 W HN -0.144 nan 8.180 nan 0.000 0.592 452 S N 2.920 118.326 115.700 -0.490 0.000 2.532 452 S HA 0.365 4.845 4.470 0.015 0.000 0.318 452 S C -1.469 173.009 174.600 -0.204 0.000 1.083 452 S CA -1.328 56.654 58.200 -0.364 0.000 1.131 452 S CB 1.254 64.018 63.200 -0.726 0.000 0.973 452 S HN -0.304 nan 8.310 nan 0.000 0.468 453 P HA -0.152 nan 4.420 nan 0.000 0.216 453 P C 1.378 178.618 177.300 -0.100 0.000 1.150 453 P CA 1.025 64.161 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 -0.327 119.823 120.200 -0.082 0.000 2.152 454 E HA -0.130 4.229 4.350 0.015 0.000 0.192 454 E C 1.980 178.574 176.600 -0.011 0.000 0.983 454 E CA 0.840 57.122 56.400 -0.197 0.000 0.818 454 E CB -1.349 28.314 29.700 -0.061 0.000 0.758 454 E HN 0.213 nan 8.360 nan 0.000 0.467 455 L N 1.603 122.729 121.223 -0.161 0.000 2.056 455 L HA 0.051 4.400 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 1.940 56.656 54.840 -0.207 0.000 0.749 455 L CB -0.828 41.027 42.059 -0.340 0.000 0.901 455 L HN 0.112 nan 8.230 nan 0.000 0.433 456 A N -0.255 122.398 122.820 -0.278 0.000 1.908 456 A HA -0.138 4.191 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 1.914 53.800 52.037 -0.253 0.000 0.627 456 A CB -1.218 17.676 19.000 -0.177 0.000 0.818 456 A HN 0.583 nan 8.150 nan 0.000 0.445 457 A N -0.302 122.259 122.820 -0.432 0.000 1.933 457 A HA 0.150 4.479 4.320 0.015 0.000 0.218 457 A C 2.474 179.665 177.584 -0.655 0.000 1.175 457 A CA 2.139 53.808 52.037 -0.613 0.000 0.628 457 A CB -0.895 17.419 19.000 -1.143 0.000 0.814 457 A HN 1.034 nan 8.150 nan 0.000 0.444 458 A N -0.351 122.100 122.820 -0.615 0.000 1.897 458 A HA 0.067 4.397 4.320 0.015 0.000 0.215 458 A C 2.145 179.570 177.584 -0.265 0.000 1.181 458 A CA 1.259 52.999 52.037 -0.495 0.000 0.620 458 A CB -0.568 18.390 19.000 -0.070 0.000 0.821 458 A HN 0.446 nan 8.150 nan 0.000 0.443 459 L N -0.334 120.735 121.223 -0.256 0.000 2.042 459 L HA -0.230 4.120 4.340 0.015 0.000 0.210 459 L C 2.167 179.155 176.870 0.198 0.000 1.076 459 L CA 1.569 56.238 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 -0.083 120.314 120.400 -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 55.153 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 -0.351 120.663 121.223 -0.349 0.000 2.046 461 L HA -0.119 4.231 4.340 0.015 0.000 0.208 461 L C 1.285 177.855 176.870 -0.499 0.000 1.077 461 L CA 1.435 55.914 54.840 -0.601 0.000 0.747 461 L CB -0.298 41.054 42.059 -1.177 0.000 0.896 461 L HN 0.155 nan 8.230 nan 0.000 0.432 462 W N -0.428 120.768 121.300 -0.173 0.000 2.966 462 W HA 0.255 4.925 4.660 0.016 0.000 0.406 462 W C 1.594 177.851 176.519 -0.437 0.000 1.027 462 W CA -0.548 56.489 57.345 -0.514 0.000 1.930 462 W CB -0.525 28.347 29.460 -0.980 0.000 1.144 462 W HN 0.206 nan 8.180 nan 0.000 0.626 463 K N 1.537 121.956 120.400 0.031 0.000 2.642 463 K HA -0.153 4.177 4.320 0.015 0.000 0.194 463 K C -0.320 175.938 176.600 -0.569 0.000 1.039 463 K CA 1.254 57.023 56.287 -0.863 0.000 0.947 463 K CB 0.157 32.261 32.500 -0.659 0.000 0.784 463 K HN -0.118 nan 8.250 nan 0.000 0.491 464 E N 0.356 120.426 120.200 -0.216 0.000 2.649 464 E HA 0.055 4.414 4.350 0.015 0.000 0.308 464 E C -0.803 175.826 176.600 0.048 0.000 1.017 464 E CA -0.616 55.759 56.400 -0.042 0.000 0.848 464 E CB 0.739 30.473 29.700 0.056 0.000 1.240 464 E HN 0.054 nan 8.360 nan 0.000 0.421 465 I N 1.591 122.180 120.570 0.031 0.000 4.637 465 I HA -0.350 3.829 4.170 0.015 0.000 0.126 465 I C 0.161 176.359 176.117 0.134 0.000 1.134 465 I CA 1.311 62.666 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 0.535 nan 8.210 nan 0.000 0.328 466 K N 6.255 126.712 120.400 0.095 0.000 2.208 466 K HA 0.667 4.996 4.320 0.015 0.000 0.247 466 K C -0.283 176.283 176.600 -0.056 0.000 0.953 466 K CA -0.961 55.337 56.287 0.020 0.000 0.837 466 K CB 1.383 33.805 32.500 -0.130 0.000 1.131 466 K HN 0.242 nan 8.250 nan 0.000 0.431 467 F N 1.076 120.966 119.950 -0.100 0.000 2.259 467 F HA -0.252 4.284 4.527 0.015 0.000 0.309 467 F C -0.395 175.337 175.800 -0.114 0.000 1.079 467 F CA 0.802 58.741 58.000 -0.102 0.000 1.099 467 F CB -1.145 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 1.713 121.490 120.200 -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 -0.631 55.424 56.400 -0.575 0.000 0.793 468 E CB 0.919 30.370 29.700 -0.415 0.000 1.259 468 E HN 0.217 nan 8.360 nan 0.000 0.406 469 F N 0.990 120.945 119.950 0.008 0.000 2.637 469 F HA 0.191 4.727 4.527 0.015 0.000 0.284 469 F C 1.072 176.902 175.800 0.049 0.000 1.105 469 F CA 0.244 58.285 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 0.584 nan 8.300 nan 0.000 0.616 470 E N 0.244 120.647 120.200 0.339 0.000 8.774 470 E HA -0.220 4.139 4.350 0.015 0.000 0.169 470 E C -0.626 176.331 176.600 0.595 0.000 1.453 470 E CA 0.624 57.246 56.400 0.370 0.000 2.527 470 E CB -0.550 29.254 29.700 0.172 0.000 1.274 470 E HN 0.107 nan 8.360 nan 0.000 0.438 471 T N 1.917 116.529 114.554 0.097 0.000 2.930 471 T HA 0.093 4.453 4.350 0.015 0.000 0.306 471 T C 1.115 175.843 174.700 0.047 0.000 1.045 471 T CA 0.048 62.183 62.100 0.059 0.000 1.134 471 T CB 0.531 69.426 68.868 0.045 0.000 0.961 471 T HN 0.274 nan 8.240 nan 0.000 0.545 472 M N 1.567 121.186 119.600 0.032 0.000 2.156 472 M HA 0.104 4.594 4.480 0.015 0.000 0.238 472 M C 1.343 177.654 176.300 0.019 0.000 1.165 472 M CA 0.571 55.885 55.300 0.023 0.000 1.153 472 M CB -1.560 31.050 32.600 0.017 0.000 1.200 472 M HN 0.533 nan 8.290 nan 0.000 0.442 473 D N 3.301 123.711 120.400 0.016 0.000 2.813 473 D HA -0.080 4.570 4.640 0.015 0.000 0.236 473 D C -0.436 175.870 176.300 0.011 0.000 1.135 473 D CA 0.493 54.500 54.000 0.011 0.000 1.515 473 D CB -0.423 40.383 40.800 0.009 0.000 1.148 473 D HN 0.162 nan 8.370 nan 0.000 0.487 474 K N 1.420 121.826 120.400 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 -0.860 55.433 56.287 0.010 0.000 0.943 474 K CB 1.265 33.771 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