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_G 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 0.444 123.280 122.820 0.027 0.000 2.515 10 A HA 0.610 4.939 4.320 0.015 0.000 0.263 10 A C 0.977 178.587 177.584 0.044 0.000 1.096 10 A CA 0.159 52.220 52.037 0.039 0.000 0.769 10 A CB -0.732 18.300 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 4.859 4.320 0.015 0.000 0.263 11 A C 1.186 178.800 177.584 0.050 0.000 1.342 11 A CA 0.578 52.638 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 2.747 nan 8.150 nan 0.000 0.515 12 G N -1.149 107.695 108.800 0.074 0.000 2.879 12 G HA2 -0.102 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 1.206 nan 8.290 nan 0.000 0.601 13 Y N 2.992 123.314 120.300 0.037 0.000 2.425 13 Y HA 0.596 5.156 4.550 0.016 0.000 0.347 13 Y C 0.580 176.495 175.900 0.025 0.000 0.976 13 Y CA -1.356 56.776 58.100 0.052 0.000 1.190 13 Y CB 0.755 39.273 38.460 0.097 0.000 1.136 13 Y HN 0.623 nan 8.280 nan 0.000 0.517 14 K N 5.309 125.578 120.400 -0.218 0.000 2.367 14 K HA 0.800 5.129 4.320 0.015 0.000 0.263 14 K C -0.504 175.784 176.600 -0.520 0.000 1.000 14 K CA -0.678 55.387 56.287 -0.370 0.000 0.891 14 K CB 1.267 33.673 32.500 -0.157 0.000 1.117 14 K HN 0.587 nan 8.250 nan 0.000 0.443 15 A N 2.780 125.125 122.820 -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 -1.354 107.355 108.800 -0.151 0.000 2.357 16 G HA2 0.330 4.300 3.960 0.015 0.000 0.643 16 G HA3 0.330 4.300 3.960 0.015 0.000 0.643 16 G C -0.942 173.881 174.900 -0.127 0.000 1.358 16 G CA -0.455 44.573 45.100 -0.119 0.000 0.986 16 G HN 1.437 nan 8.290 nan 0.000 0.620 17 V N 1.568 121.427 119.914 -0.091 0.000 2.488 17 V HA 0.441 4.570 4.120 0.015 0.000 0.277 17 V C 0.704 176.754 176.094 -0.074 0.000 1.046 17 V CA 0.110 62.358 62.300 -0.086 0.000 0.986 17 V CB 1.006 32.838 31.823 0.015 0.000 0.989 17 V HN 0.686 nan 8.190 nan 0.000 0.475 18 K N 2.470 122.806 120.400 -0.106 0.000 2.238 18 K HA 0.449 4.778 4.320 0.015 0.000 0.239 18 K C -0.950 175.576 176.600 -0.122 0.000 0.987 18 K CA -1.086 55.152 56.287 -0.082 0.000 0.857 18 K CB 1.361 33.826 32.500 -0.058 0.000 1.154 18 K HN 0.524 nan 8.250 nan 0.000 0.439 19 D N 1.049 121.415 120.400 -0.056 0.000 2.455 19 D HA -0.028 4.621 4.640 0.015 0.000 0.241 19 D C 0.833 177.147 176.300 0.025 0.000 1.138 19 D CA 0.505 54.492 54.000 -0.022 0.000 0.877 19 D CB 0.360 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 1.439 121.792 120.300 0.089 0.000 2.224 20 Y HA -0.221 4.338 4.550 0.015 0.000 0.289 20 Y C 2.299 178.311 175.900 0.186 0.000 1.146 20 Y CA 1.307 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 0.287 120.845 120.400 0.265 0.000 2.442 21 K HA -0.076 4.253 4.320 0.015 0.000 0.198 21 K C 1.479 178.198 176.600 0.199 0.000 1.042 21 K CA 1.233 57.654 56.287 0.224 0.000 0.958 21 K CB -0.529 32.040 32.500 0.114 0.000 0.766 21 K HN 0.327 nan 8.250 nan 0.000 0.474 22 L N 1.060 122.365 121.223 0.137 0.000 2.141 22 L HA -0.085 4.264 4.340 0.015 0.000 0.209 22 L C 1.597 178.481 176.870 0.023 0.000 1.094 22 L CA 1.332 56.217 54.840 0.074 0.000 0.763 22 L CB -0.377 41.707 42.059 0.041 0.000 0.908 22 L HN 0.356 nan 8.230 nan 0.000 0.437 23 T N -2.951 111.607 114.554 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 -0.350 0.000 1.026 23 T CA 0.420 62.377 62.100 -0.238 0.000 1.081 23 T CB 0.100 68.702 68.868 -0.444 0.000 0.970 23 T HN 0.138 nan 8.240 nan 0.000 0.475 24 Y N -0.521 119.820 120.300 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 56.836 58.100 0.032 0.000 1.251 24 Y CB 0.491 38.957 38.460 0.011 0.000 1.176 24 Y HN 0.157 nan 8.280 nan 0.000 0.522 25 Y N 2.298 122.653 120.300 0.091 0.000 2.404 25 Y HA 0.404 4.964 4.550 0.015 0.000 0.344 25 Y C 0.075 176.011 175.900 0.060 0.000 0.970 25 Y CA -1.375 56.763 58.100 0.063 0.000 1.180 25 Y CB 0.646 39.137 38.460 0.051 0.000 1.138 25 Y HN 0.043 nan 8.280 nan 0.000 0.510 26 T N 5.632 120.016 114.554 -0.284 0.000 3.504 26 T HA 0.257 4.616 4.350 0.015 0.000 0.286 26 T C -2.281 172.315 174.700 -0.174 0.000 1.530 26 T CA -1.645 60.334 62.100 -0.201 0.000 1.652 26 T CB 0.898 69.730 68.868 -0.059 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 0.199 177.510 177.300 0.018 0.000 1.151 27 P CA 0.779 63.760 63.100 -0.198 0.000 0.770 27 P CB 0.196 31.719 31.700 -0.294 0.000 0.786 28 D N -2.107 118.296 120.400 0.006 0.000 2.340 28 D HA 0.030 4.679 4.640 0.015 0.000 0.217 28 D C 0.130 176.468 176.300 0.064 0.000 1.081 28 D CA -0.225 53.795 54.000 0.033 0.000 0.842 28 D CB -0.628 40.177 40.800 0.008 0.000 0.934 28 D HN 0.144 nan 8.370 nan 0.000 0.511 29 Y N 1.251 121.543 120.300 -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 -0.142 57.931 58.100 -0.046 0.000 1.308 29 Y CB 0.718 39.163 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 -1.102 0.000 0.985 30 T CA -1.421 60.238 62.100 -0.734 0.000 0.955 30 T CB 0.939 69.562 68.868 -0.409 0.000 0.930 30 T HN 0.458 nan 8.240 nan 0.000 0.451 31 P HA 0.157 nan 4.420 nan 0.000 0.265 31 P C 0.006 177.109 177.300 -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 32.036 31.700 -0.431 0.000 0.823 32 K N 1.871 122.170 120.400 -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 -0.461 55.769 56.287 -0.096 0.000 0.920 32 K CB 0.427 32.913 32.500 -0.024 0.000 1.033 32 K HN 0.362 nan 8.250 nan 0.000 0.478 33 D N 0.594 120.964 120.400 -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 55.137 54.000 -0.039 0.000 0.889 33 D CB 0.092 40.874 40.800 -0.030 0.000 0.912 33 D HN 0.641 nan 8.370 nan 0.000 0.524 34 T N -2.490 112.065 114.554 0.001 0.000 3.081 34 T HA 0.028 4.387 4.350 0.015 0.000 0.250 34 T C 0.573 175.307 174.700 0.057 0.000 1.100 34 T CA -0.436 61.682 62.100 0.030 0.000 1.038 34 T CB 0.363 69.256 68.868 0.041 0.000 0.962 34 T HN -0.234 nan 8.240 nan 0.000 0.516 35 D N 2.159 122.587 120.400 0.048 0.000 2.382 35 D HA 0.206 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 -0.495 53.560 54.000 0.092 0.000 0.890 35 D CB 0.811 41.668 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 0.097 0.000 2.290 36 L HA 0.333 4.682 4.340 0.015 0.000 0.284 36 L C -0.970 175.908 176.870 0.014 0.000 1.078 36 L CA -0.222 54.572 54.840 -0.077 0.000 0.815 36 L CB -0.006 41.928 42.059 -0.207 0.000 1.162 36 L HN 0.285 nan 8.230 nan 0.000 0.435 37 L N 5.104 126.182 121.223 -0.241 0.000 2.325 37 L HA 0.794 5.143 4.340 0.015 0.000 0.278 37 L C -0.027 176.671 176.870 -0.287 0.000 1.023 37 L CA -0.624 54.082 54.840 -0.224 0.000 0.811 37 L CB 1.618 43.300 42.059 -0.630 0.000 1.249 37 L HN 0.761 nan 8.230 nan 0.000 0.431 38 A N 1.992 124.873 122.820 0.102 0.000 2.393 38 A HA 0.874 5.203 4.320 0.015 0.000 0.306 38 A C -0.791 176.885 177.584 0.153 0.000 1.050 38 A CA -0.540 51.525 52.037 0.047 0.000 0.724 38 A CB 1.766 20.767 19.000 0.002 0.000 1.248 38 A HN 0.748 nan 8.150 nan 0.000 0.424 39 A N 1.815 124.585 122.820 -0.083 0.000 2.273 39 A HA 0.752 5.081 4.320 0.015 0.000 0.315 39 A C -1.065 176.213 177.584 -0.510 0.000 1.256 39 A CA -0.274 51.477 52.037 -0.476 0.000 0.851 39 A CB -0.082 18.353 19.000 -0.941 0.000 1.172 39 A HN 0.632 nan 8.150 nan 0.000 0.508 40 F N 1.335 121.156 119.950 -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 -0.451 57.513 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 4.081 124.767 120.500 0.308 0.000 2.295 41 R HA 0.517 4.867 4.340 0.015 0.000 0.324 41 R C -1.758 174.644 176.300 0.170 0.000 0.968 41 R CA -0.402 55.793 56.100 0.157 0.000 0.837 41 R CB 0.842 31.211 30.300 0.114 0.000 1.133 41 R HN 0.681 nan 8.270 nan 0.000 0.450 42 F N -0.115 119.812 119.950 -0.037 0.000 2.613 42 F HA 0.600 5.137 4.527 0.015 0.000 0.314 42 F C -1.323 174.494 175.800 0.028 0.000 1.075 42 F CA -0.954 57.028 58.000 -0.031 0.000 0.945 42 F CB 1.926 40.869 39.000 -0.094 0.000 1.310 42 F HN 0.138 nan 8.300 nan 0.000 0.467 43 S N 3.389 119.186 115.700 0.162 0.000 2.596 43 S HA 0.534 5.013 4.470 0.015 0.000 0.318 43 S C -2.850 171.889 174.600 0.233 0.000 1.097 43 S CA -1.242 57.028 58.200 0.117 0.000 1.080 43 S CB 1.601 64.832 63.200 0.052 0.000 0.991 43 S HN 0.506 nan 8.310 nan 0.000 0.471 44 P HA 0.131 nan 4.420 nan 0.000 0.274 44 P C -0.642 176.727 177.300 0.114 0.000 1.231 44 P CA -0.576 62.641 63.100 0.195 0.000 0.790 44 P CB 0.522 32.325 31.700 0.172 0.000 0.951 45 Q N 1.950 121.800 119.800 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 -1.200 54.637 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 1.175 64.294 63.100 0.032 0.000 0.760 46 P CB 0.190 31.904 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 3.954 123.883 119.914 0.025 0.000 2.348 48 V HA 0.472 4.601 4.120 0.015 0.000 0.270 48 V C -1.274 174.817 176.094 -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 0.142 nan 4.420 nan 0.000 0.269 49 P C 0.679 177.894 177.300 -0.142 0.000 1.209 49 P CA -0.114 62.938 63.100 -0.080 0.000 0.776 49 P CB 1.262 32.917 31.700 -0.075 0.000 0.876 50 A N 3.272 125.938 122.820 -0.258 0.000 1.940 50 A HA -0.220 4.109 4.320 0.015 0.000 0.219 50 A C 1.681 179.110 177.584 -0.259 0.000 1.176 50 A CA 2.096 53.920 52.037 -0.354 0.000 0.631 50 A CB -1.173 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 -0.297 119.888 120.400 -0.359 0.000 2.224 51 D HA -0.144 4.505 4.640 0.015 0.000 0.205 51 D C 1.612 177.661 176.300 -0.418 0.000 0.965 51 D CA 1.426 55.072 54.000 -0.589 0.000 0.852 51 D CB -0.531 39.707 40.800 -0.937 0.000 0.947 51 D HN 0.494 nan 8.370 nan 0.000 0.494 52 E N 1.110 121.164 120.200 -0.242 0.000 2.107 52 E HA 0.029 4.389 4.350 0.015 0.000 0.191 52 E C 2.044 178.540 176.600 -0.174 0.000 0.982 52 E CA 1.493 57.823 56.400 -0.118 0.000 0.809 52 E CB -0.487 29.194 29.700 -0.032 0.000 0.756 52 E HN 0.231 nan 8.360 nan 0.000 0.459 53 A N 0.321 122.998 122.820 -0.239 0.000 1.902 53 A HA -0.024 4.305 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 1.741 53.540 52.037 -0.396 0.000 0.623 53 A CB -1.362 17.456 19.000 -0.303 0.000 0.818 53 A HN 0.412 nan 8.150 nan 0.000 0.443 54 G N -0.601 107.796 108.800 -0.672 0.000 2.422 54 G HA2 0.025 3.995 3.960 0.015 0.000 0.218 54 G HA3 0.025 3.995 3.960 0.015 0.000 0.218 54 G C 1.707 176.361 174.900 -0.409 0.000 1.146 54 G CA 1.373 46.103 45.100 -0.617 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 2.036 53.990 52.037 -0.138 0.000 0.627 55 A CB -0.653 18.388 19.000 0.068 0.000 0.815 55 A HN 0.716 nan 8.150 nan 0.000 0.443 56 A N 0.033 122.471 122.820 -0.636 0.000 1.933 56 A HA -0.060 4.269 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 52.755 52.037 -1.244 0.000 0.628 56 A CB -0.575 17.825 19.000 -1.000 0.000 0.814 56 A HN 0.496 nan 8.150 nan 0.000 0.444 57 I N -0.241 119.793 120.570 -0.892 0.000 2.179 57 I HA -0.275 3.904 4.170 0.015 0.000 0.242 57 I C 2.980 178.733 176.117 -0.608 0.000 1.088 57 I CA 1.097 61.897 61.300 -0.833 0.000 1.357 57 I CB -0.367 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 0.727 123.250 122.820 -0.495 0.000 1.902 58 A HA -0.169 4.160 4.320 0.015 0.000 0.217 58 A C 2.527 179.833 177.584 -0.463 0.000 1.181 58 A CA 1.946 53.776 52.037 -0.345 0.000 0.623 58 A CB -0.839 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 -0.431 121.893 122.820 -0.827 0.000 1.855 59 A HA -0.117 4.213 4.320 0.015 0.000 0.215 59 A C 1.816 179.034 177.584 -0.611 0.000 1.191 59 A CA 1.491 52.781 52.037 -1.244 0.000 0.613 59 A CB -0.392 17.830 19.000 -1.297 0.000 0.829 59 A HN 0.457 nan 8.150 nan 0.000 0.442 60 E N 0.397 120.261 120.200 -0.561 0.000 2.502 60 E HA -0.013 4.346 4.350 0.015 0.000 0.194 60 E C 1.210 177.708 176.600 -0.169 0.000 1.062 60 E CA 0.809 57.021 56.400 -0.314 0.000 0.867 60 E CB -0.034 29.417 29.700 -0.416 0.000 0.888 60 E HN 0.706 nan 8.360 nan 0.000 0.510 61 S N -1.101 114.517 115.700 -0.136 0.000 2.578 61 S HA 0.131 4.611 4.470 0.015 0.000 0.231 61 S C 1.408 176.102 174.600 0.156 0.000 0.994 61 S CA 0.196 58.424 58.200 0.047 0.000 0.956 61 S CB 0.357 63.643 63.200 0.144 0.000 0.870 61 S HN 0.137 nan 8.310 nan 0.000 0.494 62 S N 1.579 117.322 115.700 0.071 0.000 3.889 62 S HA 0.175 4.655 4.470 0.015 0.000 0.185 62 S C 1.376 176.001 174.600 0.042 0.000 0.937 62 S CA 0.607 58.873 58.200 0.110 0.000 0.985 62 S CB -0.244 63.058 63.200 0.170 0.000 1.299 62 S HN 0.518 nan 8.310 nan 0.000 0.673 63 T N -1.085 113.499 114.554 0.050 0.000 2.986 63 T HA 0.480 4.839 4.350 0.015 0.000 0.264 63 T C 0.781 175.529 174.700 0.080 0.000 0.964 63 T CA 0.357 62.504 62.100 0.079 0.000 0.895 63 T CB 0.178 69.146 68.868 0.166 0.000 1.163 63 T HN 0.700 nan 8.240 nan 0.000 0.517 64 G N 0.253 109.064 108.800 0.017 0.000 2.434 64 G HA2 0.579 4.549 3.960 0.015 0.000 0.330 64 G HA3 0.579 4.549 3.960 0.015 0.000 0.330 64 G C -0.901 174.059 174.900 0.100 0.000 1.155 64 G CA -0.284 44.859 45.100 0.070 0.000 0.917 64 G HN 0.277 nan 8.290 nan 0.000 0.493 65 T N -1.084 113.566 114.554 0.160 0.000 2.626 65 T HA 0.421 4.780 4.350 0.015 0.000 0.279 65 T C 0.540 175.379 174.700 0.232 0.000 0.983 65 T CA -0.423 61.817 62.100 0.233 0.000 1.059 65 T CB 0.784 69.740 68.868 0.148 0.000 1.396 65 T HN 0.684 nan 8.240 nan 0.000 0.519 66 W N 0.683 122.071 121.300 0.146 0.000 2.678 66 W HA 0.306 4.974 4.660 0.015 0.000 0.256 66 W C 0.305 176.789 176.519 -0.058 0.000 1.280 66 W CA 0.429 57.807 57.345 0.055 0.000 1.345 66 W CB -1.045 28.466 29.460 0.086 0.000 1.118 66 W HN 0.527 nan 8.180 nan 0.000 0.629 67 T N 0.902 114.987 114.554 -0.782 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 -1.323 0.000 1.191 67 T HN -0.230 nan 8.240 nan 0.000 0.508 68 T N 2.587 117.011 114.554 -0.216 0.000 2.834 68 T HA 0.471 4.830 4.350 0.015 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 2.763 122.699 119.914 0.037 0.000 2.715 69 V HA 0.524 4.653 4.120 0.015 0.000 0.310 69 V C 1.044 177.028 176.094 -0.183 0.000 1.054 69 V CA -1.174 61.095 62.300 -0.051 0.000 0.928 69 V CB 1.508 33.212 31.823 -0.198 0.000 1.007 69 V HN 1.030 nan 8.190 nan 0.000 0.437 70 W N 2.143 123.102 121.300 -0.569 0.000 2.519 70 W HA -0.053 4.616 4.660 0.016 0.000 0.266 70 W C 1.375 177.693 176.519 -0.335 0.000 1.253 70 W CA 1.274 58.138 57.345 -0.803 0.000 1.274 70 W CB -1.698 27.004 29.460 -1.263 0.000 1.114 70 W HN 0.756 nan 8.180 nan 0.000 0.596 71 T N -0.763 113.105 114.554 -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 63.070 62.100 -1.047 0.000 1.127 71 T CB -0.620 67.639 68.868 -1.015 0.000 0.883 71 T HN -0.110 nan 8.240 nan 0.000 0.493 72 D N 1.821 122.050 120.400 -0.284 0.000 2.172 72 D HA -0.058 4.591 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 0.874 54.797 54.000 -0.128 0.000 0.856 72 D CB -0.377 40.387 40.800 -0.060 0.000 0.934 72 D HN 0.417 nan 8.370 nan 0.000 0.453 73 L N -0.086 121.106 121.223 -0.052 0.000 2.554 73 L HA 0.060 4.409 4.340 0.015 0.000 0.226 73 L C 1.919 178.802 176.870 0.021 0.000 1.137 73 L CA 0.027 54.876 54.840 0.016 0.000 0.863 73 L CB -0.039 42.064 42.059 0.073 0.000 0.985 73 L HN 0.044 nan 8.230 nan 0.000 0.451 74 L N -1.220 119.988 121.223 -0.025 0.000 2.395 74 L HA 0.022 4.372 4.340 0.015 0.000 0.218 74 L C 1.254 178.120 176.870 -0.007 0.000 1.130 74 L CA 0.561 55.395 54.840 -0.010 0.000 0.826 74 L CB -0.072 41.949 42.059 -0.064 0.000 0.941 74 L HN 0.216 nan 8.230 nan 0.000 0.451 75 T N -2.172 112.378 114.554 -0.006 0.000 2.693 75 T HA 0.194 4.554 4.350 0.015 0.000 0.278 75 T C -1.429 173.316 174.700 0.075 0.000 0.994 75 T CA -0.588 61.538 62.100 0.044 0.000 1.033 75 T CB 1.881 70.763 68.868 0.022 0.000 1.342 75 T HN -0.146 nan 8.240 nan 0.000 0.538 76 D N 2.195 122.685 120.400 0.150 0.000 2.493 76 D HA 0.259 4.908 4.640 0.015 0.000 0.235 76 D C 1.272 177.632 176.300 0.100 0.000 1.117 76 D CA -0.420 53.626 54.000 0.078 0.000 0.930 76 D CB 0.281 41.088 40.800 0.013 0.000 1.010 76 D HN 0.306 nan 8.370 nan 0.000 0.514 77 M N 1.508 121.147 119.600 0.064 0.000 2.213 77 M HA -0.114 4.375 4.480 0.015 0.000 0.263 77 M C 1.063 177.352 176.300 -0.017 0.000 1.062 77 M CA 1.192 56.525 55.300 0.055 0.000 1.105 77 M CB -0.531 32.064 32.600 -0.008 0.000 1.385 77 M HN 0.347 nan 8.290 nan 0.000 0.417 78 D N -0.261 120.099 120.400 -0.066 0.000 2.178 78 D HA -0.176 4.473 4.640 0.015 0.000 0.201 78 D C 2.100 178.313 176.300 -0.145 0.000 0.980 78 D CA 1.090 55.026 54.000 -0.108 0.000 0.842 78 D CB 0.003 40.749 40.800 -0.089 0.000 0.948 78 D HN 0.287 nan 8.370 nan 0.000 0.472 79 R N -1.047 119.326 120.500 -0.212 0.000 2.148 79 R HA -0.101 4.248 4.340 0.015 0.000 0.223 79 R C 1.029 177.054 176.300 -0.457 0.000 1.088 79 R CA 1.200 57.062 56.100 -0.397 0.000 0.985 79 R CB -0.023 29.898 30.300 -0.631 0.000 0.880 79 R HN 0.261 nan 8.270 nan 0.000 0.451 80 Y N 0.526 120.800 120.300 -0.043 0.000 2.498 80 Y HA 0.185 4.744 4.550 0.015 0.000 0.259 80 Y C 0.100 175.989 175.900 -0.018 0.000 1.086 80 Y CA -0.252 57.828 58.100 -0.035 0.000 1.287 80 Y CB 0.225 38.664 38.460 -0.035 0.000 1.146 80 Y HN -0.032 nan 8.280 nan 0.000 0.523 81 K N 1.072 121.530 120.400 0.097 0.000 2.326 81 K HA 0.384 4.713 4.320 0.015 0.000 0.275 81 K C 0.601 177.231 176.600 0.050 0.000 1.018 81 K CA -0.091 56.274 56.287 0.130 0.000 0.962 81 K CB 0.741 33.255 32.500 0.023 0.000 0.953 81 K HN 0.119 nan 8.250 nan 0.000 0.475 82 G N 2.244 111.097 108.800 0.088 0.000 2.491 82 G HA2 0.143 4.112 3.960 0.015 0.000 0.242 82 G HA3 0.143 4.112 3.960 0.015 0.000 0.242 82 G C -0.944 173.905 174.900 -0.085 0.000 1.266 82 G CA -0.724 44.274 45.100 -0.170 0.000 0.844 82 G HN 0.609 nan 8.290 nan 0.000 0.571 83 K N 1.240 121.515 120.400 -0.208 0.000 2.604 83 K HA 0.251 4.580 4.320 0.015 0.000 0.247 83 K C -0.855 175.779 176.600 0.057 0.000 0.956 83 K CA -0.595 55.622 56.287 -0.117 0.000 0.896 83 K CB 1.786 34.041 32.500 -0.409 0.000 1.131 83 K HN 0.443 nan 8.250 nan 0.000 0.440 84 C N 5.029 124.386 119.300 0.095 0.000 2.595 84 C HA 0.158 4.627 4.460 0.015 0.000 0.374 84 C C 1.075 176.202 174.990 0.228 0.000 1.250 84 C CA -0.343 58.767 59.018 0.152 0.000 1.595 84 C CB -1.503 26.333 27.740 0.161 0.000 2.257 84 C HN 0.959 nan 8.230 nan 0.000 0.568 85 Y N 2.672 123.116 120.300 0.239 0.000 2.444 85 Y HA 0.458 5.017 4.550 0.015 0.000 0.249 85 Y C 0.758 176.851 175.900 0.322 0.000 1.134 85 Y CA -0.191 58.042 58.100 0.222 0.000 1.261 85 Y CB -0.414 38.231 38.460 0.309 0.000 1.143 85 Y HN 0.768 nan 8.280 nan 0.000 0.523 86 H N 0.331 119.359 119.070 -0.070 0.000 3.086 86 H HA 0.538 5.103 4.556 0.015 0.000 0.353 86 H C -1.972 173.542 175.328 0.311 0.000 1.134 86 H CA -0.846 55.268 56.048 0.109 0.000 1.248 86 H CB 1.946 31.680 29.762 -0.047 0.000 1.878 86 H HN 0.136 nan 8.280 nan 0.000 0.527 87 I N 4.108 124.532 120.570 -0.244 0.000 2.582 87 I HA 0.230 4.409 4.170 0.015 0.000 0.292 87 I C -0.877 175.104 176.117 -0.227 0.000 1.066 87 I CA -0.589 60.680 61.300 -0.051 0.000 1.053 87 I CB 2.357 40.403 38.000 0.075 0.000 1.241 87 I HN 0.579 nan 8.210 nan 0.000 0.421 88 E N 6.936 127.189 120.200 0.089 0.000 2.308 88 E HA 0.521 4.880 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 -2.151 54.353 56.400 0.173 0.000 0.754 88 E CB 2.454 32.352 29.700 0.331 0.000 1.207 88 E HN 0.117 nan 8.360 nan 0.000 0.426 89 P HA -0.014 nan 4.420 nan 0.000 0.268 89 P C 0.036 177.229 177.300 -0.177 0.000 1.205 89 P CA -0.365 62.618 63.100 -0.195 0.000 0.771 89 P CB 0.858 32.450 31.700 -0.179 0.000 0.858 90 V N 2.308 121.983 119.914 -0.398 0.000 2.446 90 V HA 0.161 4.290 4.120 0.015 0.000 0.276 90 V C 1.364 177.359 176.094 -0.164 0.000 1.030 90 V CA 0.192 62.310 62.300 -0.303 0.000 1.033 90 V CB -0.506 31.020 31.823 -0.495 0.000 0.993 90 V HN 0.732 nan 8.190 nan 0.000 0.477 91 Q N 3.661 123.439 119.800 -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 0.557 56.344 55.803 -0.026 0.000 0.932 91 Q CB -0.200 28.549 28.738 0.020 0.000 1.133 91 Q HN 2.072 nan 8.270 nan 0.000 0.377 92 G N 1.335 110.099 108.800 -0.059 0.000 2.176 92 G HA2 -0.181 3.788 3.960 0.015 0.000 0.253 92 G HA3 -0.181 3.788 3.960 0.015 0.000 0.253 92 G C 0.008 174.864 174.900 -0.073 0.000 0.979 92 G CA 0.278 45.347 45.100 -0.052 0.000 0.641 92 G HN 0.823 nan 8.290 nan 0.000 0.530 93 E N 0.777 120.907 120.200 -0.117 0.000 2.224 93 E HA 0.409 4.768 4.350 0.015 0.000 0.265 93 E C -0.087 176.400 176.600 -0.189 0.000 0.878 93 E CA -0.733 55.584 56.400 -0.138 0.000 0.759 93 E CB 1.294 30.901 29.700 -0.154 0.000 1.164 93 E HN 0.629 nan 8.360 nan 0.000 0.414 94 E N 2.486 122.600 120.200 -0.145 0.000 2.344 94 E HA 0.080 4.439 4.350 0.015 0.000 0.270 94 E C -0.024 176.464 176.600 -0.186 0.000 1.021 94 E CA -0.551 55.761 56.400 -0.146 0.000 0.887 94 E CB 0.393 30.043 29.700 -0.083 0.000 0.997 94 E HN 0.494 nan 8.360 nan 0.000 0.429 95 N N 1.162 119.723 118.700 -0.232 0.000 2.740 95 N HA -0.214 4.535 4.740 0.015 0.000 0.248 95 N C -1.832 173.502 175.510 -0.293 0.000 1.062 95 N CA 1.184 54.129 53.050 -0.174 0.000 0.704 95 N CB -1.013 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 5.225 4.470 0.015 0.000 0.291 96 S C -1.501 172.484 174.600 -1.026 0.000 1.116 96 S CA -0.501 57.328 58.200 -0.619 0.000 0.992 96 S CB 0.585 63.531 63.200 -0.424 0.000 1.028 96 S HN 0.262 nan 8.310 nan 0.000 0.484 97 Y N 1.952 121.768 120.300 -0.808 0.000 2.581 97 Y HA 0.631 5.190 4.550 0.015 0.000 0.345 97 Y C -0.824 174.629 175.900 -0.746 0.000 1.036 97 Y CA -1.129 56.494 58.100 -0.794 0.000 1.042 97 Y CB 0.953 38.852 38.460 -0.935 0.000 1.289 97 Y HN 0.526 nan 8.280 nan 0.000 0.471 98 F N 1.398 121.355 119.950 0.012 0.000 2.415 98 F HA 0.704 5.240 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 -1.084 56.938 58.000 0.035 0.000 1.069 98 F CB 1.189 40.238 39.000 0.082 0.000 1.124 98 F HN 0.503 nan 8.300 nan 0.000 0.472 99 A N 4.324 127.359 122.820 0.360 0.000 2.304 99 A HA 0.772 5.101 4.320 0.015 0.000 0.323 99 A C -1.397 176.187 177.584 -0.000 0.000 1.195 99 A CA -0.429 51.775 52.037 0.278 0.000 0.826 99 A CB 0.201 19.344 19.000 0.237 0.000 1.184 99 A HN 0.528 nan 8.150 nan 0.000 0.496 100 F N 2.075 122.078 119.950 0.089 0.000 2.427 100 F HA 0.601 5.137 4.527 0.015 0.000 0.346 100 F C 0.099 175.764 175.800 -0.226 0.000 1.120 100 F CA -0.415 57.566 58.000 -0.031 0.000 1.033 100 F CB 1.544 40.417 39.000 -0.211 0.000 1.126 100 F HN 0.323 nan 8.300 nan 0.000 0.462 101 I N 2.897 123.626 120.570 0.265 0.000 2.498 101 I HA 0.628 4.808 4.170 0.015 0.000 0.290 101 I C -0.526 175.787 176.117 0.327 0.000 1.032 101 I CA -0.998 60.437 61.300 0.224 0.000 1.073 101 I CB 1.965 40.026 38.000 0.100 0.000 1.251 101 I HN 0.651 nan 8.210 nan 0.000 0.426 102 A N 6.056 129.041 122.820 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 0.386 19.522 19.000 0.228 0.000 1.164 102 A HN 0.583 nan 8.150 nan 0.000 0.505 103 Y N 2.247 122.654 120.300 0.178 0.000 2.341 103 Y HA 0.440 5.000 4.550 0.016 0.000 0.338 103 Y C -2.313 173.716 175.900 0.215 0.000 0.965 103 Y CA -2.499 55.726 58.100 0.208 0.000 1.108 103 Y CB 1.624 40.324 38.460 0.400 0.000 1.180 103 Y HN 0.493 nan 8.280 nan 0.000 0.458 104 P HA -0.054 nan 4.420 nan 0.000 0.267 104 P C 0.785 178.240 177.300 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 2.838 124.201 121.223 0.233 0.000 2.129 105 L HA -0.204 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 0.284 0.000 0.757 105 L CB -1.035 41.126 42.059 0.170 0.000 0.896 105 L HN 0.265 nan 8.230 nan 0.000 0.434 106 D N -0.772 119.705 120.400 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 0.874 54.939 54.000 0.108 0.000 0.879 106 D CB -0.057 40.859 40.800 0.193 0.000 0.921 106 D HN 0.399 nan 8.370 nan 0.000 0.510 107 L N -0.686 120.411 121.223 -0.210 0.000 2.478 107 L HA 0.023 4.372 4.340 0.015 0.000 0.223 107 L C 0.047 176.505 176.870 -0.687 0.000 1.140 107 L CA 0.379 54.898 54.840 -0.535 0.000 0.842 107 L CB -0.134 41.429 42.059 -0.826 0.000 0.953 107 L HN -0.112 nan 8.230 nan 0.000 0.452 108 F N -0.412 119.574 119.950 0.060 0.000 2.495 108 F HA 0.325 4.861 4.527 0.015 0.000 0.327 108 F C 0.592 176.405 175.800 0.021 0.000 1.103 108 F CA -1.370 56.655 58.000 0.041 0.000 0.949 108 F CB 1.054 40.091 39.000 0.061 0.000 1.142 108 F HN -0.187 nan 8.300 nan 0.000 0.457 109 E N 1.861 122.159 120.200 0.164 0.000 2.344 109 E HA 0.114 4.473 4.350 0.015 0.000 0.270 109 E C -0.734 175.880 176.600 0.023 0.000 1.021 109 E CA -0.491 55.948 56.400 0.066 0.000 0.887 109 E CB 0.564 30.284 29.700 0.032 0.000 0.997 109 E HN 0.525 nan 8.360 nan 0.000 0.429 110 E N 2.412 122.589 120.200 -0.039 0.000 2.465 110 E HA 0.163 4.522 4.350 0.015 0.000 0.260 110 E C 0.825 177.209 176.600 -0.360 0.000 0.980 110 E CA 1.295 57.600 56.400 -0.159 0.000 0.927 110 E CB 0.573 30.206 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 0.418 44.756 45.100 -1.270 0.000 0.698 111 G HN 0.518 nan 8.290 nan 0.000 0.521 112 S N -0.601 114.900 115.700 -0.332 0.000 2.667 112 S HA 0.531 5.010 4.470 0.015 0.000 0.304 112 S C 1.413 176.139 174.600 0.209 0.000 1.135 112 S CA 0.082 58.302 58.200 0.034 0.000 1.125 112 S CB 1.331 64.544 63.200 0.021 0.000 0.996 112 S HN 0.542 nan 8.310 nan 0.000 0.474 113 V N 4.706 124.759 119.914 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 -0.064 0.000 1.048 113 V CB -0.934 30.613 31.823 -0.461 0.000 0.666 113 V HN 0.831 nan 8.190 nan 0.000 0.456 114 T N 0.162 114.697 114.554 -0.032 0.000 2.665 114 T HA -0.260 4.099 4.350 0.015 0.000 0.268 114 T C 1.914 176.643 174.700 0.048 0.000 1.035 114 T CA 1.991 64.112 62.100 0.034 0.000 1.151 114 T CB -0.472 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 4.694 4.740 0.015 0.000 0.186 115 N C 2.003 177.605 175.510 0.155 0.000 1.023 115 N CA 1.025 54.138 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 1.359 122.025 120.570 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 0.989 62.366 61.300 0.129 0.000 1.347 116 I CB -0.256 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 0.037 0.000 1.085 117 L CA 1.433 56.270 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 0.279 nan 8.230 nan 0.000 0.435 118 T N -1.011 113.575 114.554 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 1.672 63.808 62.100 0.061 0.000 1.140 118 T CB -0.050 68.853 68.868 0.059 0.000 0.864 118 T HN 0.265 nan 8.240 nan 0.000 0.455 119 S N 0.809 116.557 115.700 0.081 0.000 2.335 119 S HA 0.033 4.512 4.470 0.015 0.000 0.217 119 S C 2.062 176.706 174.600 0.074 0.000 1.032 119 S CA 0.629 58.872 58.200 0.071 0.000 0.985 119 S CB -0.224 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 1.681 122.279 120.570 0.047 0.000 2.315 120 I HA -0.037 4.142 4.170 0.015 0.000 0.248 120 I C 1.891 178.190 176.117 0.302 0.000 1.117 120 I CA 1.269 62.626 61.300 0.095 0.000 1.404 120 I CB -1.260 36.713 38.000 -0.045 0.000 1.071 120 I HN 0.298 nan 8.210 nan 0.000 0.419 121 V N -2.760 117.286 119.914 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 1.772 110.656 108.800 0.141 0.000 2.434 122 G HA2 -0.149 3.820 3.960 0.015 0.000 0.214 122 G HA3 -0.149 3.820 3.960 0.015 0.000 0.214 122 G C 1.177 176.156 174.900 0.131 0.000 1.202 122 G CA 1.355 46.517 45.100 0.103 0.000 0.788 122 G HN 0.547 nan 8.290 nan 0.000 0.539 123 N N -0.608 118.187 118.700 0.158 0.000 2.297 123 N HA 0.015 4.764 4.740 0.015 0.000 0.208 123 N C 2.175 177.828 175.510 0.237 0.000 1.176 123 N CA 0.827 53.986 53.050 0.181 0.000 0.882 123 N CB 0.567 39.151 38.487 0.163 0.000 1.134 123 N HN 0.278 nan 8.380 nan 0.000 0.489 124 V N -1.480 118.537 119.914 0.171 0.000 2.809 124 V HA 0.038 4.168 4.120 0.015 0.000 0.256 124 V C 1.616 177.731 176.094 0.035 0.000 1.080 124 V CA 1.096 63.384 62.300 -0.021 0.000 1.102 124 V CB -1.106 30.523 31.823 -0.325 0.000 0.705 124 V HN -0.091 nan 8.190 nan 0.000 0.475 125 F N 2.546 122.533 119.950 0.063 0.000 2.502 125 F HA 0.294 4.830 4.527 0.016 0.000 0.298 125 F C 2.299 178.221 175.800 0.204 0.000 1.111 125 F CA 1.185 59.257 58.000 0.119 0.000 1.445 125 F CB -0.541 38.519 39.000 0.101 0.000 1.081 125 F HN 0.344 nan 8.300 nan 0.000 0.558 126 G N -1.834 107.162 108.800 0.328 0.000 3.159 126 G HA2 0.014 3.984 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 0.030 nan 8.290 nan 0.000 0.547 127 F N 1.791 121.748 119.950 0.012 0.000 2.602 127 F HA 0.179 4.715 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 0.125 58.108 58.000 -0.028 0.000 1.233 127 F CB 0.975 39.919 39.000 -0.094 0.000 1.067 127 F HN -0.035 nan 8.300 nan 0.000 0.564 128 K N 3.164 123.472 120.400 -0.153 0.000 2.113 128 K HA -0.209 4.120 4.320 0.015 0.000 0.208 128 K C 1.933 178.542 176.600 0.015 0.000 1.047 128 K CA 1.470 57.712 56.287 -0.073 0.000 0.928 128 K CB -0.166 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 0.707 123.574 122.820 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 -0.553 120.082 120.570 0.109 0.000 2.433 130 I HA 0.315 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 1.506 39.523 38.000 0.028 0.000 1.289 130 I HN 0.246 nan 8.210 nan 0.000 0.438 131 R N 2.886 123.448 120.500 0.104 0.000 2.075 131 R HA 0.045 4.395 4.340 0.015 0.000 0.226 131 R C 0.253 176.624 176.300 0.120 0.000 1.114 131 R CA 0.824 56.977 56.100 0.088 0.000 0.972 131 R CB 0.138 30.482 30.300 0.074 0.000 0.869 131 R HN 0.779 nan 8.270 nan 0.000 0.437 132 S N -0.374 115.429 115.700 0.172 0.000 2.550 132 S HA 0.562 5.042 4.470 0.015 0.000 0.270 132 S C -1.395 173.341 174.600 0.228 0.000 1.145 132 S CA -1.078 57.307 58.200 0.309 0.000 0.852 132 S CB 2.221 65.566 63.200 0.243 0.000 1.119 132 S HN 0.042 nan 8.310 nan 0.000 0.465 133 L N 1.380 122.708 121.223 0.176 0.000 2.493 133 L HA 0.843 5.192 4.340 0.015 0.000 0.265 133 L C -1.076 175.704 176.870 -0.150 0.000 0.954 133 L CA -0.374 54.363 54.840 -0.171 0.000 0.844 133 L CB 2.193 43.837 42.059 -0.691 0.000 1.302 133 L HN 1.054 nan 8.230 nan 0.000 0.405 134 R N 4.141 124.682 120.500 0.069 0.000 2.514 134 R HA 0.652 5.002 4.340 0.015 0.000 0.296 134 R C -1.977 174.451 176.300 0.214 0.000 1.012 134 R CA -0.644 55.587 56.100 0.217 0.000 0.897 134 R CB 1.430 31.840 30.300 0.183 0.000 1.184 134 R HN 0.644 nan 8.270 nan 0.000 0.440 135 L N 4.140 125.516 121.223 0.255 0.000 2.369 135 L HA 0.307 4.657 4.340 0.015 0.000 0.279 135 L C 0.351 177.164 176.870 -0.095 0.000 1.108 135 L CA 0.653 55.442 54.840 -0.085 0.000 0.852 135 L CB 1.039 43.051 42.059 -0.077 0.000 1.169 135 L HN 0.822 nan 8.230 nan 0.000 0.452 136 E N 2.310 122.345 120.200 -0.276 0.000 2.166 136 E HA 0.121 4.481 4.350 0.015 0.000 0.192 136 E C -0.270 176.155 176.600 -0.291 0.000 0.967 136 E CA 0.459 56.667 56.400 -0.321 0.000 0.840 136 E CB 0.400 29.620 29.700 -0.801 0.000 0.795 136 E HN 0.685 nan 8.360 nan 0.000 0.470 137 D N -1.003 119.203 120.400 -0.324 0.000 2.663 137 D HA 0.384 5.034 4.640 0.015 0.000 0.233 137 D C -1.431 174.871 176.300 0.003 0.000 1.240 137 D CA -0.479 53.474 54.000 -0.080 0.000 0.774 137 D CB 1.624 42.417 40.800 -0.012 0.000 1.443 137 D HN -0.164 nan 8.370 nan 0.000 0.441 138 I N 1.617 122.162 120.570 -0.041 0.000 2.499 138 I HA 0.352 4.532 4.170 0.015 0.000 0.288 138 I C -0.004 175.854 176.117 -0.432 0.000 1.048 138 I CA -0.835 60.247 61.300 -0.365 0.000 1.062 138 I CB 2.206 39.736 38.000 -0.783 0.000 1.238 138 I HN 0.097 nan 8.210 nan 0.000 0.426 139 R N 6.163 126.268 120.500 -0.659 0.000 2.210 139 R HA 0.365 4.715 4.340 0.015 0.000 0.338 139 R C -1.421 174.536 176.300 -0.572 0.000 1.062 139 R CA -0.419 55.357 56.100 -0.539 0.000 0.902 139 R CB 0.393 30.322 30.300 -0.618 0.000 1.050 139 R HN 0.339 nan 8.270 nan 0.000 0.461 140 F N 7.093 126.835 119.950 -0.347 0.000 2.444 140 F HA 0.260 4.797 4.527 0.016 0.000 0.360 140 F C -1.364 174.260 175.800 -0.294 0.000 1.106 140 F CA -2.072 55.721 58.000 -0.345 0.000 1.170 140 F CB 0.784 39.530 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 -0.020 63.053 63.100 -0.045 0.000 0.776 141 P CB 1.376 33.068 31.700 -0.012 0.000 0.876 142 V N 2.644 122.543 119.914 -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 1.752 53.822 52.037 0.055 0.000 0.646 143 A CB -0.355 18.675 19.000 0.050 0.000 0.806 143 A HN 0.455 nan 8.150 nan 0.000 0.448 144 L N -0.648 120.637 121.223 0.103 0.000 2.162 144 L HA 0.039 4.389 4.340 0.015 0.000 0.205 144 L C 2.311 179.338 176.870 0.262 0.000 1.086 144 L CA 1.311 56.253 54.840 0.170 0.000 0.778 144 L CB -0.327 41.842 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 0.148 0.000 1.051 145 V CB -0.769 31.060 31.823 0.009 0.000 0.658 145 V HN 0.411 nan 8.190 nan 0.000 0.455 146 K N 0.336 120.830 120.400 0.157 0.000 2.504 146 K HA -0.064 4.265 4.320 0.015 0.000 0.195 146 K C 2.017 178.674 176.600 0.095 0.000 1.036 146 K CA 1.453 57.811 56.287 0.119 0.000 0.984 146 K CB -0.292 32.253 32.500 0.076 0.000 0.788 146 K HN 0.737 nan 8.250 nan 0.000 0.488 147 T N -1.889 112.718 114.554 0.089 0.000 3.100 147 T HA 0.087 4.447 4.350 0.015 0.000 0.253 147 T C 0.510 175.092 174.700 -0.197 0.000 1.118 147 T CA -0.105 61.949 62.100 -0.077 0.000 1.058 147 T CB -0.182 68.580 68.868 -0.176 0.000 0.953 147 T HN -0.162 nan 8.240 nan 0.000 0.515 148 F N 1.269 121.215 119.950 -0.006 0.000 2.432 148 F HA 0.484 5.020 4.527 0.016 0.000 0.329 148 F C 1.648 177.442 175.800 -0.010 0.000 1.076 148 F CA -1.223 56.768 58.000 -0.015 0.000 1.018 148 F CB 1.795 40.774 39.000 -0.036 0.000 1.201 148 F HN -0.112 nan 8.300 nan 0.000 0.489 149 Q N 2.029 121.933 119.800 0.173 0.000 2.049 149 Q HA 0.208 4.558 4.340 0.015 0.000 0.198 149 Q C 1.053 177.091 176.000 0.064 0.000 0.971 149 Q CA 1.222 57.074 55.803 0.081 0.000 0.833 149 Q CB -0.106 28.655 28.738 0.038 0.000 0.896 149 Q HN 1.000 nan 8.270 nan 0.000 0.434 150 G N 0.351 109.195 108.800 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 -0.276 62.759 63.100 -0.108 0.000 0.761 151 P CB 0.392 32.028 31.700 -0.106 0.000 0.795 152 P HA -0.190 nan 4.420 nan 0.000 0.216 152 P C 0.763 177.597 177.300 -0.777 0.000 1.150 152 P CA 1.925 64.766 63.100 -0.431 0.000 0.843 152 P CB 0.016 31.487 31.700 -0.380 0.000 0.787 153 H N -3.745 115.304 119.070 -0.035 0.000 1.955 153 H HA 0.346 4.910 4.556 0.015 0.000 0.196 153 H C 1.220 176.537 175.328 -0.017 0.000 0.891 153 H CA 0.936 56.971 56.048 -0.022 0.000 1.001 153 H CB 0.053 29.804 29.762 -0.017 0.000 1.195 153 H HN 0.101 nan 8.280 nan 0.000 0.384 154 G N 1.236 110.091 108.800 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 0.518 121.114 120.570 0.044 0.000 2.091 155 I HA -0.299 3.880 4.170 0.015 0.000 0.239 155 I C 3.041 179.203 176.117 0.075 0.000 1.061 155 I CA 2.822 64.157 61.300 0.058 0.000 1.317 155 I CB -0.409 37.613 38.000 0.036 0.000 1.031 155 I HN 0.838 nan 8.210 nan 0.000 0.401 156 Q N 0.649 120.492 119.800 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 0.103 0.000 0.972 156 Q CA 1.586 57.446 55.803 0.094 0.000 0.847 156 Q CB -0.678 28.109 28.738 0.082 0.000 0.903 156 Q HN 0.308 nan 8.270 nan 0.000 0.433 157 V N 1.387 121.357 119.914 0.093 0.000 2.427 157 V HA -0.241 3.888 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 0.434 120.680 120.200 0.077 0.000 2.051 158 E HA -0.229 4.130 4.350 0.015 0.000 0.192 158 E C 2.461 179.073 176.600 0.020 0.000 0.991 158 E CA 1.239 57.669 56.400 0.049 0.000 0.799 158 E CB -0.058 29.706 29.700 0.106 0.000 0.748 158 E HN 0.525 nan 8.360 nan 0.000 0.449 159 R N 0.507 121.016 120.500 0.015 0.000 2.091 159 R HA -0.135 4.215 4.340 0.015 0.000 0.238 159 R C 1.899 178.063 176.300 -0.227 0.000 1.136 159 R CA 1.487 57.517 56.100 -0.117 0.000 0.959 159 R CB -0.319 29.971 30.300 -0.017 0.000 0.856 159 R HN 0.289 nan 8.270 nan 0.000 0.437 160 D N 0.934 121.339 120.400 0.008 0.000 2.144 160 D HA -0.089 4.560 4.640 0.015 0.000 0.200 160 D C 2.059 178.366 176.300 0.011 0.000 0.978 160 D CA 0.918 54.971 54.000 0.088 0.000 0.833 160 D CB -0.127 40.759 40.800 0.143 0.000 0.961 160 D HN 0.173 nan 8.370 nan 0.000 0.470 161 L N 0.016 121.230 121.223 -0.015 0.000 2.093 161 L HA -0.063 4.286 4.340 0.015 0.000 0.208 161 L C 2.160 179.004 176.870 -0.042 0.000 1.085 161 L CA 0.696 55.517 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 -1.313 119.867 121.223 -0.072 0.000 2.585 162 L HA 0.124 4.473 4.340 0.015 0.000 0.226 162 L C 0.337 177.115 176.870 -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 1.276 119.830 118.700 -0.244 0.000 2.735 163 N HA -0.165 4.584 4.740 0.015 0.000 0.248 163 N C -0.243 175.003 175.510 -0.440 0.000 1.083 163 N CA 0.898 53.764 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 -1.091 175.220 176.600 -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 0.515 5.074 4.550 0.015 0.000 0.348 165 Y C 1.233 177.142 175.900 0.015 0.000 0.990 165 Y CA -0.895 57.215 58.100 0.017 0.000 1.033 165 Y CB 2.613 41.082 38.460 0.015 0.000 1.259 165 Y HN 0.604 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 45.227 45.100 0.116 0.000 0.643 166 G HN 0.831 nan 8.290 nan 0.000 0.522 167 R N -0.865 119.680 120.500 0.075 0.000 2.741 167 R HA 0.538 4.887 4.340 0.015 0.000 0.276 167 R C -3.504 172.829 176.300 0.055 0.000 1.028 167 R CA -1.362 54.775 56.100 0.062 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 0.135 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 0.158 63.289 63.100 0.053 0.000 0.772 168 P CB 0.380 32.123 31.700 0.071 0.000 0.855 169 M N 1.710 121.333 119.600 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 0.039 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 0.789 122.047 121.223 0.058 0.000 2.362 170 L HA 0.795 5.144 4.340 0.015 0.000 0.275 170 L C 0.111 177.066 176.870 0.141 0.000 0.998 170 L CA -0.514 54.395 54.840 0.115 0.000 0.820 170 L CB 1.908 44.016 42.059 0.082 0.000 1.270 170 L HN 0.838 nan 8.230 nan 0.000 0.415 171 G N 0.550 109.444 108.800 0.157 0.000 3.105 171 G HA2 0.651 4.620 3.960 0.015 0.000 0.277 171 G HA3 0.651 4.620 3.960 0.015 0.000 0.277 171 G C -1.847 173.082 174.900 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 -0.056 119.217 119.300 -0.045 0.000 3.135 172 C HA 0.600 5.069 4.460 0.015 0.000 0.428 172 C C -0.360 174.586 174.990 -0.073 0.000 0.972 172 C CA -0.502 58.504 59.018 -0.020 0.000 1.218 172 C CB 0.339 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 7.178 121.714 114.554 -0.030 0.000 2.780 173 T HA 0.406 4.765 4.350 0.015 0.000 0.294 173 T C 0.541 175.237 174.700 -0.008 0.000 0.949 173 T CA -0.312 61.784 62.100 -0.007 0.000 1.074 173 T CB 0.401 69.300 68.868 0.053 0.000 0.910 173 T HN 0.581 nan 8.240 nan 0.000 0.501 174 I N 3.845 124.397 120.570 -0.030 0.000 2.648 174 I HA 0.209 4.388 4.170 0.015 0.000 0.284 174 I C 0.692 176.804 176.117 -0.008 0.000 1.153 174 I CA 0.081 61.316 61.300 -0.108 0.000 1.426 174 I CB -0.086 37.646 38.000 -0.446 0.000 1.381 174 I HN 0.466 nan 8.210 nan 0.000 0.571 175 K N 6.335 126.729 120.400 -0.010 0.000 2.443 175 K HA 0.564 4.893 4.320 0.015 0.000 0.251 175 K C -2.429 174.188 176.600 0.029 0.000 0.972 175 K CA -1.639 54.669 56.287 0.035 0.000 0.833 175 K CB 1.493 34.015 32.500 0.037 0.000 1.317 175 K HN 0.301 nan 8.250 nan 0.000 0.441 176 P HA 0.107 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 -0.091 63.030 63.100 0.034 0.000 0.783 176 P CB 0.828 32.527 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 0.731 177.387 176.600 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 0.605 177.166 176.870 -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 -0.166 0.000 1.354 178 L HN 0.406 nan 8.230 nan 0.000 0.415 179 G N 1.292 109.398 108.800 -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 -0.187 174.524 174.900 -0.317 0.000 1.001 179 G CA -0.657 43.968 45.100 -0.791 0.000 0.668 179 G HN 0.305 nan 8.290 nan 0.000 0.483 180 L N 2.822 124.001 121.223 -0.074 0.000 2.371 180 L HA 0.543 4.893 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 -0.036 54.886 54.840 0.137 0.000 0.816 180 L CB 1.429 43.652 42.059 0.274 0.000 1.129 180 L HN 0.475 nan 8.230 nan 0.000 0.448 181 S N 1.975 117.772 115.700 0.161 0.000 2.608 181 S HA 0.248 4.727 4.470 0.015 0.000 0.261 181 S C 1.148 175.790 174.600 0.070 0.000 1.314 181 S CA -0.095 58.171 58.200 0.111 0.000 0.992 181 S CB 1.402 64.614 63.200 0.020 0.000 0.935 181 S HN 0.700 nan 8.310 nan 0.000 0.564 182 A N 1.329 124.135 122.820 -0.023 0.000 1.908 182 A HA -0.105 4.225 4.320 0.015 0.000 0.218 182 A C 2.121 179.551 177.584 -0.257 0.000 1.181 182 A CA 2.090 54.101 52.037 -0.043 0.000 0.627 182 A CB -1.099 17.927 19.000 0.043 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 4.216 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 1.855 57.670 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 -0.530 118.112 118.700 -0.096 0.000 2.331 184 N HA -0.123 4.626 4.740 0.015 0.000 0.180 184 N C 1.379 176.931 175.510 0.071 0.000 1.019 184 N CA 0.823 53.876 53.050 0.006 0.000 0.881 184 N CB -0.262 38.242 38.487 0.029 0.000 0.972 184 N HN 0.245 nan 8.380 nan 0.000 0.435 185 Y N 1.149 121.439 120.300 -0.016 0.000 2.133 185 Y HA -0.061 4.498 4.550 0.016 0.000 0.287 185 Y C 2.417 178.333 175.900 0.026 0.000 1.134 185 Y CA 1.791 59.910 58.100 0.032 0.000 1.133 185 Y CB -0.662 37.838 38.460 0.066 0.000 0.987 185 Y HN 0.058 nan 8.280 nan 0.000 0.502 186 G N -0.570 108.330 108.800 0.167 0.000 2.432 186 G HA2 -0.270 3.699 3.960 0.015 0.000 0.219 186 G HA3 -0.270 3.699 3.960 0.015 0.000 0.219 186 G C 1.796 176.759 174.900 0.106 0.000 1.135 186 G CA 0.761 45.937 45.100 0.127 0.000 0.767 186 G HN 0.310 nan 8.290 nan 0.000 0.550 187 R N 0.493 121.044 120.500 0.084 0.000 2.080 187 R HA -0.045 4.304 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 1.600 57.766 56.100 0.111 0.000 0.943 187 R CB -0.433 29.907 30.300 0.066 0.000 0.846 187 R HN 0.276 nan 8.270 nan 0.000 0.431 188 A N 0.183 123.004 122.820 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 18.428 19.000 -0.124 0.000 0.814 188 A HN 0.252 nan 8.150 nan 0.000 0.444 189 V N -1.201 118.681 119.914 -0.052 0.000 2.295 189 V HA -0.273 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 2.127 64.419 62.300 -0.012 0.000 1.024 189 V CB -1.046 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 60.076 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 -0.532 119.447 120.200 -0.367 0.000 2.106 191 E HA -0.190 4.169 4.350 0.015 0.000 0.192 191 E C 2.494 178.934 176.600 -0.268 0.000 0.984 191 E CA 1.305 57.453 56.400 -0.419 0.000 0.806 191 E CB -0.865 28.727 29.700 -0.181 0.000 0.750 191 E HN 0.550 nan 8.360 nan 0.000 0.458 192 C N 0.669 119.873 119.300 -0.160 0.000 2.462 192 C HA -0.066 4.403 4.460 0.015 0.000 0.278 192 C C 2.862 177.784 174.990 -0.114 0.000 1.253 192 C CA 0.374 59.326 59.018 -0.110 0.000 1.713 192 C CB -1.109 26.593 27.740 -0.062 0.000 2.049 192 C HN 0.360 nan 8.230 nan 0.000 0.477 193 L N 1.190 122.352 121.223 -0.101 0.000 2.093 193 L HA -0.142 4.208 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 1.688 56.485 54.840 -0.071 0.000 0.755 193 L CB -0.737 41.316 42.059 -0.009 0.000 0.904 193 L HN 0.482 nan 8.230 nan 0.000 0.435 194 R N 0.468 120.857 120.500 -0.185 0.000 2.193 194 R HA -0.078 4.271 4.340 0.015 0.000 0.229 194 R C 1.877 178.099 176.300 -0.131 0.000 1.110 194 R CA 1.352 57.347 56.100 -0.174 0.000 0.988 194 R CB -0.699 29.377 30.300 -0.372 0.000 0.871 194 R HN 0.255 nan 8.270 nan 0.000 0.458 195 G N -0.703 108.011 108.800 -0.143 0.000 2.880 195 G HA2 0.260 4.229 3.960 0.015 0.000 0.209 195 G HA3 0.260 4.229 3.960 0.015 0.000 0.209 195 G C 0.898 175.745 174.900 -0.088 0.000 1.157 195 G CA 0.256 45.288 45.100 -0.114 0.000 0.779 195 G HN 0.590 nan 8.290 nan 0.000 0.539 196 G N -0.764 107.988 108.800 -0.081 0.000 2.273 196 G HA2 -0.172 3.798 3.960 0.015 0.000 0.162 196 G HA3 -0.172 3.798 3.960 0.015 0.000 0.162 196 G C 0.273 175.127 174.900 -0.076 0.000 1.006 196 G CA -0.334 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 1.397 122.573 121.223 -0.078 0.000 2.417 197 L HA 0.339 4.688 4.340 0.015 0.000 0.268 197 L C 1.125 177.919 176.870 -0.127 0.000 1.158 197 L CA -0.602 54.194 54.840 -0.073 0.000 0.819 197 L CB 0.592 42.626 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 1.571 55.285 54.000 -0.477 0.000 0.840 198 D CB 0.269 40.613 40.800 -0.761 0.000 0.972 198 D HN 0.147 nan 8.370 nan 0.000 0.482 199 F N -0.079 119.833 119.950 -0.063 0.000 2.588 199 F HA 0.307 4.843 4.527 0.015 0.000 0.314 199 F C 0.619 176.270 175.800 -0.249 0.000 1.069 199 F CA -1.052 56.845 58.000 -0.172 0.000 0.931 199 F CB 1.781 40.627 39.000 -0.257 0.000 1.260 199 F HN -0.345 nan 8.300 nan 0.000 0.465 200 T N -1.113 113.384 114.554 -0.094 0.000 2.927 200 T HA 0.846 5.205 4.350 0.015 0.000 0.286 200 T C -1.090 173.157 174.700 -0.755 0.000 1.040 200 T CA -1.028 60.937 62.100 -0.225 0.000 1.010 200 T CB 2.531 71.438 68.868 0.066 0.000 1.177 200 T HN 0.760 nan 8.240 nan 0.000 0.546 201 K N -0.200 119.796 120.400 -0.672 0.000 2.546 201 K HA 0.463 4.793 4.320 0.015 0.000 0.264 201 K C -1.841 174.629 176.600 -0.216 0.000 0.937 201 K CA -0.897 54.924 56.287 -0.778 0.000 0.833 201 K CB 1.506 33.684 32.500 -0.537 0.000 1.378 201 K HN 0.385 nan 8.250 nan 0.000 0.432 202 D N 1.771 122.166 120.400 -0.009 0.000 2.423 202 D HA 0.022 4.672 4.640 0.015 0.000 0.238 202 D C -0.277 176.137 176.300 0.190 0.000 1.142 202 D CA 0.489 54.675 54.000 0.310 0.000 0.884 202 D CB 0.594 41.564 40.800 0.283 0.000 1.199 202 D HN 0.393 nan 8.370 nan 0.000 0.438 203 D N 1.063 121.597 120.400 0.224 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 -0.136 53.929 54.000 0.107 0.000 0.897 203 D CB 0.817 41.693 40.800 0.126 0.000 1.197 203 D HN 0.412 nan 8.370 nan 0.000 0.432 204 E N 2.291 122.373 120.200 -0.196 0.000 2.160 204 E HA -0.251 4.108 4.350 0.015 0.000 0.195 204 E C 0.671 177.175 176.600 -0.159 0.000 0.991 204 E CA 1.177 57.348 56.400 -0.382 0.000 0.810 204 E CB -0.312 28.787 29.700 -1.001 0.000 0.742 204 E HN 0.474 nan 8.360 nan 0.000 0.466 205 N N 0.947 119.605 118.700 -0.070 0.000 2.270 205 N HA 0.021 4.771 4.740 0.015 0.000 0.198 205 N C 0.267 175.812 175.510 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 0.136 4.315 4.170 0.015 0.000 0.294 206 I C 0.252 176.420 176.117 0.085 0.000 1.090 206 I CA 0.142 61.507 61.300 0.109 0.000 1.314 206 I CB -0.323 37.750 38.000 0.120 0.000 1.423 206 I HN 0.198 nan 8.210 nan 0.000 0.503 207 N N 3.364 122.098 118.700 0.058 0.000 3.189 207 N HA 0.143 4.892 4.740 0.015 0.000 0.204 207 N C -0.210 175.338 175.510 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 0.226 115.930 115.700 0.007 0.000 2.649 208 S HA 0.433 4.912 4.470 0.015 0.000 0.274 208 S C -1.893 172.633 174.600 -0.123 0.000 1.176 208 S CA -0.410 57.792 58.200 0.004 0.000 0.988 208 S CB 1.244 64.549 63.200 0.175 0.000 1.071 208 S HN 0.253 nan 8.310 nan 0.000 0.478 209 Q N 3.249 122.859 119.800 -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 -0.436 0.000 0.777 209 Q CB 1.737 30.050 28.738 -0.708 0.000 1.487 209 Q HN 0.273 nan 8.270 nan 0.000 0.426 210 P HA -0.172 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 1.385 64.391 63.100 -0.156 0.000 0.843 210 P CB 0.054 31.741 31.700 -0.021 0.000 0.787 211 F N -1.583 118.366 119.950 -0.002 0.000 2.558 211 F HA 0.173 4.711 4.527 0.017 0.000 0.298 211 F C 0.789 176.581 175.800 -0.014 0.000 1.119 211 F CA 0.154 58.151 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 4.607 4.340 0.015 0.000 0.228 212 Q C -1.282 174.536 176.000 -0.304 0.000 0.805 212 Q CA -0.630 55.013 55.803 -0.267 0.000 0.894 212 Q CB 0.996 29.686 28.738 -0.079 0.000 1.469 212 Q HN 0.095 nan 8.270 nan 0.000 0.445 213 R N 2.395 122.779 120.500 -0.195 0.000 2.539 213 R HA 0.174 4.523 4.340 0.015 0.000 0.275 213 R C 1.181 177.384 176.300 -0.161 0.000 1.077 213 R CA -0.087 55.906 56.100 -0.179 0.000 1.097 213 R CB 0.191 30.361 30.300 -0.218 0.000 1.018 213 R HN 0.729 nan 8.270 nan 0.000 0.483 214 W N 4.229 125.429 121.300 -0.167 0.000 2.388 214 W HA -0.135 4.533 4.660 0.012 0.000 0.294 214 W C 1.109 177.481 176.519 -0.244 0.000 1.212 214 W CA 0.976 58.211 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 1.339 120.979 120.500 -1.432 0.000 2.115 215 R HA -0.129 4.220 4.340 0.015 0.000 0.226 215 R C 1.765 177.830 176.300 -0.391 0.000 1.100 215 R CA 2.156 57.431 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 0.345 120.593 120.400 -0.253 0.000 2.097 216 D HA -0.192 4.457 4.640 0.015 0.000 0.197 216 D C 1.793 178.272 176.300 0.297 0.000 0.984 216 D CA 1.062 55.098 54.000 0.061 0.000 0.826 216 D CB -0.313 40.545 40.800 0.096 0.000 0.973 216 D HN 0.278 nan 8.370 nan 0.000 0.460 217 R N 0.029 120.677 120.500 0.246 0.000 2.083 217 R HA -0.160 4.189 4.340 0.015 0.000 0.237 217 R C 2.232 178.797 176.300 0.443 0.000 1.137 217 R CA 1.047 57.346 56.100 0.331 0.000 0.951 217 R CB -0.395 30.049 30.300 0.240 0.000 0.851 217 R HN 0.064 nan 8.270 nan 0.000 0.434 218 F N 1.198 121.271 119.950 0.205 0.000 2.126 218 F HA -0.199 4.338 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 0.845 58.973 58.000 0.213 0.000 1.255 218 F CB -0.760 38.491 39.000 0.419 0.000 0.997 218 F HN 0.067 nan 8.300 nan 0.000 0.479 219 L N -1.524 119.894 121.223 0.325 0.000 1.994 219 L HA -0.259 4.090 4.340 0.015 0.000 0.208 219 L C 2.468 179.295 176.870 -0.072 0.000 1.071 219 L CA 1.885 56.764 54.840 0.066 0.000 0.745 219 L CB -0.663 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 -0.987 119.010 119.950 0.077 0.000 2.186 220 F HA -0.155 4.381 4.527 0.016 0.000 0.299 220 F C 2.410 178.210 175.800 -0.000 0.000 1.090 220 F CA 0.874 58.898 58.000 0.040 0.000 1.307 220 F CB -0.675 38.362 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 1.676 63.959 62.300 -0.030 0.000 1.048 221 V CB -1.189 30.517 31.823 -0.195 0.000 0.666 221 V HN 0.348 nan 8.190 nan 0.000 0.456 222 A N -0.133 122.607 122.820 -0.132 0.000 1.933 222 A HA -0.306 4.023 4.320 0.015 0.000 0.218 222 A C 2.020 179.320 177.584 -0.474 0.000 1.175 222 A CA 2.223 54.074 52.037 -0.310 0.000 0.628 222 A CB -0.668 18.185 19.000 -0.245 0.000 0.814 222 A HN 0.600 nan 8.150 nan 0.000 0.444 223 D N -0.461 119.816 120.400 -0.205 0.000 2.117 223 D HA -0.017 4.632 4.640 0.015 0.000 0.197 223 D C 2.067 178.325 176.300 -0.070 0.000 0.987 223 D CA 1.461 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 -0.025 122.778 122.820 -0.030 0.000 1.933 224 A HA -0.110 4.219 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 0.951 53.020 52.037 0.055 0.000 0.628 224 A CB -0.704 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 -1.236 119.309 120.570 -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 0.058 0.000 1.102 225 I CA 1.500 62.792 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 0.133 119.227 119.070 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 1.169 57.231 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 0.930 121.413 120.400 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 1.528 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 0.180 116.041 115.700 0.269 0.000 2.406 228 S HA -0.194 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 1.003 59.355 58.200 0.253 0.000 0.965 228 S CB -0.230 63.092 63.200 0.204 0.000 0.798 228 S HN 0.436 nan 8.310 nan 0.000 0.488 229 Q N 1.338 121.206 119.800 0.112 0.000 2.119 229 Q HA 0.051 4.400 4.340 0.015 0.000 0.201 229 Q C 2.220 178.258 176.000 0.065 0.000 0.972 229 Q CA 1.211 57.059 55.803 0.075 0.000 0.847 229 Q CB -0.537 28.253 28.738 0.087 0.000 0.903 229 Q HN 0.705 nan 8.270 nan 0.000 0.433 230 A N 0.644 123.511 122.820 0.078 0.000 1.930 230 A HA -0.187 4.142 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 1.518 53.588 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 -0.897 119.350 120.200 0.077 0.000 2.158 231 E HA -0.096 4.263 4.350 0.015 0.000 0.191 231 E C 2.061 178.688 176.600 0.046 0.000 0.982 231 E CA 1.479 57.923 56.400 0.073 0.000 0.823 231 E CB -0.070 29.701 29.700 0.118 0.000 0.766 231 E HN 0.833 nan 8.360 nan 0.000 0.468 232 T N -3.693 110.884 114.554 0.039 0.000 3.015 232 T HA 0.218 4.577 4.350 0.015 0.000 0.250 232 T C 1.603 176.308 174.700 0.010 0.000 1.057 232 T CA 0.413 62.523 62.100 0.017 0.000 1.066 232 T CB 0.621 69.491 68.868 0.003 0.000 0.959 232 T HN 0.213 nan 8.240 nan 0.000 0.488 233 G N 1.384 110.193 108.800 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 0.278 45.383 45.100 0.008 0.000 0.724 233 G HN 0.685 nan 8.290 nan 0.000 0.514 234 E N -0.528 119.667 120.200 -0.008 0.000 2.288 234 E HA 0.512 4.872 4.350 0.015 0.000 0.268 234 E C 0.308 176.889 176.600 -0.031 0.000 0.885 234 E CA -1.295 55.088 56.400 -0.028 0.000 0.767 234 E CB 1.507 31.179 29.700 -0.047 0.000 1.220 234 E HN 0.050 nan 8.360 nan 0.000 0.427 235 I N 2.890 123.433 120.570 -0.046 0.000 2.668 235 I HA -0.011 4.168 4.170 0.015 0.000 0.285 235 I C 0.265 176.338 176.117 -0.074 0.000 1.168 235 I CA 0.499 61.775 61.300 -0.039 0.000 1.424 235 I CB -0.422 37.551 38.000 -0.045 0.000 1.377 235 I HN 0.302 nan 8.210 nan 0.000 0.560 236 K N 4.683 125.071 120.400 -0.020 0.000 2.267 236 K HA 0.795 5.124 4.320 0.015 0.000 0.246 236 K C -0.018 176.631 176.600 0.080 0.000 0.954 236 K CA -0.660 55.615 56.287 -0.020 0.000 0.824 236 K CB 2.476 34.988 32.500 0.020 0.000 1.167 236 K HN 0.804 nan 8.250 nan 0.000 0.431 237 G N 0.352 109.259 108.800 0.179 0.000 2.690 237 G HA2 0.404 4.373 3.960 0.015 0.000 0.291 237 G HA3 0.404 4.373 3.960 0.015 0.000 0.291 237 G C -1.849 173.258 174.900 0.345 0.000 1.403 237 G CA -0.264 45.052 45.100 0.361 0.000 0.864 237 G HN 0.555 nan 8.290 nan 0.000 0.480 238 H N 0.577 119.723 119.070 0.127 0.000 2.934 238 H HA 0.306 4.870 4.556 0.015 0.000 0.340 238 H C -1.157 174.192 175.328 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 0.372 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 0.112 4.672 4.550 0.015 0.000 0.356 239 Y C 0.675 176.487 175.900 -0.148 0.000 1.122 239 Y CA -0.601 57.343 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 3.825 125.104 121.223 0.094 0.000 2.361 240 L HA 0.149 4.499 4.340 0.015 0.000 0.278 240 L C 0.719 177.639 176.870 0.084 0.000 1.113 240 L CA 0.054 54.881 54.840 -0.021 0.000 0.849 240 L CB 0.306 42.004 42.059 -0.602 0.000 1.155 240 L HN 0.618 nan 8.230 nan 0.000 0.452 241 N N 2.135 120.958 118.700 0.206 0.000 2.416 241 N HA 0.102 4.851 4.740 0.015 0.000 0.265 241 N C 0.809 176.482 175.510 0.271 0.000 1.195 241 N CA -0.412 52.770 53.050 0.220 0.000 0.943 241 N CB 0.937 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 0.463 120.497 119.914 0.200 0.000 3.621 242 V HA 0.150 4.280 4.120 0.015 0.000 0.285 242 V C 0.630 176.755 176.094 0.052 0.000 1.346 242 V CA -0.208 62.151 62.300 0.098 0.000 1.104 242 V CB -0.241 31.586 31.823 0.006 0.000 0.913 242 V HN 0.419 nan 8.190 nan 0.000 0.432 243 T N 3.257 117.901 114.554 0.150 0.000 2.866 243 T HA 0.502 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 1.175 63.343 62.100 0.113 0.000 1.162 243 T CB 0.365 69.236 68.868 0.006 0.000 0.968 243 T HN 1.034 nan 8.240 nan 0.000 0.530 244 A N 5.280 128.089 122.820 -0.019 0.000 2.569 244 A HA 0.788 5.117 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 0.814 19.716 19.000 -0.163 0.000 1.303 244 A HN 0.529 nan 8.150 nan 0.000 0.413 245 P HA 0.022 nan 4.420 nan 0.000 0.219 245 P C 0.574 177.848 177.300 -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 -4.787 109.733 114.554 -0.057 0.000 2.883 246 T HA 0.316 4.675 4.350 0.015 0.000 0.296 246 T C 1.030 175.693 174.700 -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 2.640 177.568 174.990 -0.103 0.000 1.265 247 C CA 1.011 59.988 59.018 -0.068 0.000 1.752 247 C CB -1.369 26.345 27.740 -0.043 0.000 1.998 247 C HN 1.012 nan 8.230 nan 0.000 0.489 248 E N 0.808 120.956 120.200 -0.088 0.000 2.077 248 E HA -0.143 4.216 4.350 0.015 0.000 0.193 248 E C 2.268 178.783 176.600 -0.141 0.000 0.989 248 E CA 0.957 57.299 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 0.168 120.276 120.200 -0.153 0.000 2.072 249 E HA -0.162 4.197 4.350 0.015 0.000 0.191 249 E C 2.022 178.430 176.600 -0.320 0.000 0.985 249 E CA 0.752 57.014 56.400 -0.230 0.000 0.801 249 E CB -0.276 29.300 29.700 -0.206 0.000 0.750 249 E HN 0.314 nan 8.360 nan 0.000 0.452 250 M N -0.226 119.224 119.600 -0.250 0.000 2.082 250 M HA -0.217 4.272 4.480 0.015 0.000 0.258 250 M C 1.972 178.059 176.300 -0.355 0.000 1.069 250 M CA 1.511 56.650 55.300 -0.270 0.000 1.102 250 M CB -0.012 32.470 32.600 -0.196 0.000 1.336 250 M HN 0.037 nan 8.290 nan 0.000 0.404 251 M N -0.121 119.279 119.600 -0.334 0.000 2.200 251 M HA -0.165 4.324 4.480 0.015 0.000 0.265 251 M C 2.100 178.182 176.300 -0.363 0.000 1.066 251 M CA 1.466 56.515 55.300 -0.418 0.000 1.127 251 M CB -1.184 31.235 32.600 -0.300 0.000 1.379 251 M HN 0.368 nan 8.290 nan 0.000 0.420 252 K N 0.453 120.684 120.400 -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 -0.272 0.000 1.049 252 K CA 1.312 57.476 56.287 -0.205 0.000 0.933 252 K CB 0.116 32.507 32.500 -0.181 0.000 0.717 252 K HN 0.269 nan 8.250 nan 0.000 0.442 253 R N -0.236 119.930 120.500 -0.558 0.000 2.073 253 R HA 0.001 4.350 4.340 0.015 0.000 0.229 253 R C 2.408 178.673 176.300 -0.060 0.000 1.120 253 R CA 0.984 56.681 56.100 -0.672 0.000 0.967 253 R CB -0.267 29.479 30.300 -0.924 0.000 0.862 253 R HN 0.185 nan 8.270 nan 0.000 0.436 254 A N 1.159 123.829 122.820 -0.250 0.000 1.940 254 A HA -0.227 4.102 4.320 0.015 0.000 0.219 254 A C 1.973 179.449 177.584 -0.181 0.000 1.176 254 A CA 1.620 53.435 52.037 -0.370 0.000 0.631 254 A CB -0.320 18.035 19.000 -1.076 0.000 0.814 254 A HN 0.213 nan 8.150 nan 0.000 0.446 255 E N -1.212 118.912 120.200 -0.126 0.000 2.077 255 E HA -0.132 4.227 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 1.188 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 0.463 120.559 119.950 0.243 0.000 2.186 256 F HA 0.018 4.552 4.527 0.013 0.000 0.299 256 F C 1.953 177.992 175.800 0.399 0.000 1.090 256 F CA 1.193 59.393 58.000 0.334 0.000 1.307 256 F CB -0.709 38.558 39.000 0.445 0.000 1.019 256 F HN 0.066 nan 8.300 nan 0.000 0.489 257 A N 0.230 123.297 122.820 0.411 0.000 1.908 257 A HA -0.249 4.080 4.320 0.015 0.000 0.218 257 A C 2.402 180.064 177.584 0.131 0.000 1.181 257 A CA 1.902 54.058 52.037 0.199 0.000 0.627 257 A CB -0.837 18.288 19.000 0.209 0.000 0.818 257 A HN 0.406 nan 8.150 nan 0.000 0.445 258 K N -0.429 120.130 120.400 0.264 0.000 2.057 258 K HA -0.182 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 1.576 58.004 56.287 0.235 0.000 0.935 258 K CB -0.176 32.550 32.500 0.376 0.000 0.715 258 K HN 0.649 nan 8.250 nan 0.000 0.439 259 E N 0.558 120.836 120.200 0.130 0.000 2.118 259 E HA -0.169 4.190 4.350 0.015 0.000 0.195 259 E C 1.784 178.372 176.600 -0.019 0.000 0.992 259 E CA 0.858 57.309 56.400 0.085 0.000 0.804 259 E CB 0.036 29.843 29.700 0.178 0.000 0.741 259 E HN 0.321 nan 8.360 nan 0.000 0.458 260 L N -0.530 120.606 121.223 -0.145 0.000 2.554 260 L HA 0.108 4.458 4.340 0.015 0.000 0.226 260 L C 1.315 178.182 176.870 -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 0.106 108.919 108.800 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 0.060 0.000 1.024 261 G CA -0.206 44.926 45.100 0.053 0.000 0.755 261 G HN 0.102 nan 8.290 nan 0.000 0.507 262 M N 0.384 120.006 119.600 0.038 0.000 2.200 262 M HA 0.209 4.698 4.480 0.015 0.000 0.355 262 M C -0.502 175.832 176.300 0.057 0.000 1.283 262 M CA -2.033 53.288 55.300 0.035 0.000 1.124 262 M CB 0.750 33.344 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 0.059 177.383 177.300 0.040 0.000 1.168 263 P CA 0.794 63.927 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 -0.166 120.441 120.570 0.062 0.000 2.722 264 I HA 0.352 4.531 4.170 0.015 0.000 0.292 264 I C -1.265 174.880 176.117 0.047 0.000 1.267 264 I CA -1.461 59.853 61.300 0.024 0.000 1.036 264 I CB 2.251 40.248 38.000 -0.006 0.000 1.281 264 I HN -0.256 nan 8.210 nan 0.000 0.423 265 I N 4.398 124.983 120.570 0.026 0.000 3.206 265 I HA 0.690 4.869 4.170 0.015 0.000 0.313 265 I C -0.952 175.188 176.117 0.038 0.000 1.103 265 I CA -0.990 60.342 61.300 0.053 0.000 0.985 265 I CB 2.202 40.254 38.000 0.086 0.000 1.240 265 I HN 0.710 nan 8.210 nan 0.000 0.464 266 M N 1.621 121.287 119.600 0.110 0.000 2.690 266 M HA 0.652 5.141 4.480 0.015 0.000 0.302 266 M C -1.616 174.814 176.300 0.217 0.000 1.234 266 M CA -0.515 54.882 55.300 0.162 0.000 0.853 266 M CB 2.344 35.113 32.600 0.282 0.000 1.748 266 M HN 0.781 nan 8.290 nan 0.000 0.469 267 H N -0.130 118.979 119.070 0.066 0.000 3.026 267 H HA 0.424 4.990 4.556 0.017 0.000 0.352 267 H C -1.994 173.383 175.328 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 6.067 126.266 120.400 -0.334 0.000 2.453 268 D HA 0.022 4.671 4.640 0.015 0.000 0.223 268 D C 1.129 177.195 176.300 -0.389 0.000 1.183 268 D CA -0.213 53.653 54.000 -0.223 0.000 0.933 268 D CB -0.267 40.418 40.800 -0.192 0.000 1.038 268 D HN 0.521 nan 8.370 nan 0.000 0.513 269 F N 0.882 120.594 119.950 -0.396 0.000 2.293 269 F HA -0.043 4.493 4.527 0.014 0.000 0.300 269 F C 1.243 176.768 175.800 -0.458 0.000 1.086 269 F CA 0.728 58.484 58.000 -0.407 0.000 1.375 269 F CB -0.428 38.379 39.000 -0.323 0.000 1.045 269 F HN 0.171 nan 8.300 nan 0.000 0.516 270 L N 0.517 121.135 121.223 -1.009 0.000 2.202 270 L HA -0.041 4.308 4.340 0.015 0.000 0.205 270 L C 2.656 179.266 176.870 -0.433 0.000 1.083 270 L CA 1.416 55.730 54.840 -0.876 0.000 0.790 270 L CB -0.890 40.648 42.059 -0.867 0.000 0.942 270 L HN 0.366 nan 8.230 nan 0.000 0.452 271 T N -3.064 111.293 114.554 -0.328 0.000 3.014 271 T HA 0.073 4.432 4.350 0.015 0.000 0.263 271 T C 1.792 176.385 174.700 -0.179 0.000 1.078 271 T CA 0.720 62.696 62.100 -0.207 0.000 1.135 271 T CB 0.031 68.805 68.868 -0.157 0.000 0.895 271 T HN 0.240 nan 8.240 nan 0.000 0.480 272 A N 1.561 124.244 122.820 -0.229 0.000 1.903 272 A HA 0.621 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 -0.799 18.087 19.000 -0.190 0.000 0.830 272 A HN 1.434 nan 8.150 nan 0.000 0.446 273 G N -3.154 105.558 108.800 -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 0.482 120.489 119.950 0.095 0.000 2.234 274 F HA 0.042 4.578 4.527 0.014 0.000 0.299 274 F C 3.050 178.923 175.800 0.122 0.000 1.087 274 F CA 2.211 60.297 58.000 0.143 0.000 1.340 274 F CB -0.227 38.850 39.000 0.127 0.000 1.031 274 F HN 0.537 nan 8.300 nan 0.000 0.500 275 T N -0.438 114.275 114.554 0.265 0.000 2.777 275 T HA -0.137 4.222 4.350 0.015 0.000 0.266 275 T C 2.315 177.093 174.700 0.131 0.000 1.040 275 T CA 1.302 63.504 62.100 0.171 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 1.959 124.854 122.820 0.124 0.000 1.898 276 A HA -0.109 4.220 4.320 0.015 0.000 0.216 276 A C 2.257 179.894 177.584 0.088 0.000 1.181 276 A CA 1.456 53.549 52.037 0.093 0.000 0.620 276 A CB -0.761 18.313 19.000 0.123 0.000 0.819 276 A HN 0.521 nan 8.150 nan 0.000 0.442 277 N N -0.403 118.422 118.700 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 2.052 55.223 53.050 0.201 0.000 0.852 277 N CB -0.160 38.503 38.487 0.294 0.000 1.003 277 N HN 0.422 nan 8.380 nan 0.000 0.424 278 T N -0.167 114.491 114.554 0.174 0.000 2.788 278 T HA -0.073 4.286 4.350 0.015 0.000 0.268 278 T C 1.823 176.580 174.700 0.094 0.000 1.044 278 T CA 1.458 63.647 62.100 0.149 0.000 1.139 278 T CB -0.513 68.459 68.868 0.174 0.000 0.867 278 T HN 0.308 nan 8.240 nan 0.000 0.454 279 T N 2.189 116.786 114.554 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 0.923 63.054 62.100 0.052 0.000 1.148 279 T CB -0.423 68.456 68.868 0.018 0.000 0.863 279 T HN 0.113 nan 8.240 nan 0.000 0.436 280 L N 1.140 122.358 121.223 -0.008 0.000 2.056 280 L HA 0.163 4.512 4.340 0.015 0.000 0.207 280 L C 2.582 179.518 176.870 0.109 0.000 1.078 280 L CA 1.737 56.566 54.840 -0.018 0.000 0.749 280 L CB -0.988 40.914 42.059 -0.261 0.000 0.901 280 L HN 0.215 nan 8.230 nan 0.000 0.433 281 A N -0.638 122.221 122.820 0.065 0.000 1.933 281 A HA -0.177 4.152 4.320 0.015 0.000 0.218 281 A C 2.211 179.830 177.584 0.057 0.000 1.175 281 A CA 1.602 53.673 52.037 0.056 0.000 0.628 281 A CB -0.436 18.587 19.000 0.038 0.000 0.814 281 A HN 0.412 nan 8.150 nan 0.000 0.444 282 K N -1.478 118.970 120.400 0.080 0.000 2.057 282 K HA -0.176 4.153 4.320 0.015 0.000 0.206 282 K C 1.782 178.428 176.600 0.077 0.000 1.050 282 K CA 1.318 57.640 56.287 0.059 0.000 0.935 282 K CB -0.557 31.982 32.500 0.066 0.000 0.715 282 K HN 0.756 nan 8.250 nan 0.000 0.439 283 W N 1.822 123.107 121.300 -0.025 0.000 2.358 283 W HA -0.253 4.411 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 1.332 58.669 57.345 -0.014 0.000 1.274 283 W CB -0.400 29.048 29.460 -0.020 0.000 1.138 283 W HN 0.022 nan 8.180 nan 0.000 0.515 284 C N 0.112 119.513 119.300 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 26.310 27.740 0.169 0.000 1.998 284 C HN 0.437 nan 8.230 nan 0.000 0.489 285 R N 1.338 121.748 120.500 -0.151 0.000 2.081 285 R HA -0.093 4.256 4.340 0.015 0.000 0.235 285 R C 1.547 177.739 176.300 -0.179 0.000 1.131 285 R CA 1.815 57.786 56.100 -0.216 0.000 0.960 285 R CB -0.552 29.640 30.300 -0.180 0.000 0.856 285 R HN 0.427 nan 8.270 nan 0.000 0.436 286 D N -0.471 119.796 120.400 -0.222 0.000 2.317 286 D HA -0.026 4.623 4.640 0.015 0.000 0.211 286 D C 0.444 176.555 176.300 -0.315 0.000 0.966 286 D CA 0.759 54.621 54.000 -0.229 0.000 0.876 286 D CB 0.093 40.769 40.800 -0.208 0.000 0.927 286 D HN 0.311 nan 8.370 nan 0.000 0.519 287 N N -0.706 117.706 118.700 -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 53.078 53.050 -0.537 0.000 0.896 287 N CB 1.827 39.600 38.487 -1.190 0.000 1.064 287 N HN 0.047 nan 8.380 nan 0.000 0.518 288 G N 1.311 110.033 108.800 -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 -0.171 174.704 174.900 -0.043 0.000 1.041 288 G CA 0.262 45.377 45.100 0.024 0.000 0.807 288 G HN 0.155 nan 8.290 nan 0.000 0.502 289 V N 0.906 120.825 119.914 0.008 0.000 2.435 289 V HA 0.579 4.709 4.120 0.015 0.000 0.290 289 V C 1.012 177.165 176.094 0.099 0.000 1.030 289 V CA -0.901 61.421 62.300 0.037 0.000 0.881 289 V CB 1.730 33.642 31.823 0.148 0.000 0.983 289 V HN 0.339 nan 8.190 nan 0.000 0.445 290 L N 4.555 125.750 121.223 -0.047 0.000 2.436 290 L HA 0.380 4.730 4.340 0.015 0.000 0.265 290 L C -0.396 176.438 176.870 -0.060 0.000 1.168 290 L CA -0.251 54.553 54.840 -0.061 0.000 0.815 290 L CB 0.766 42.718 42.059 -0.179 0.000 1.109 290 L HN 0.437 nan 8.230 nan 0.000 0.462 291 L N 2.473 123.634 121.223 -0.103 0.000 2.342 291 L HA 0.346 4.695 4.340 0.015 0.000 0.276 291 L C -0.616 176.081 176.870 -0.288 0.000 0.997 291 L CA -0.251 54.516 54.840 -0.121 0.000 0.838 291 L CB 0.985 43.027 42.059 -0.029 0.000 1.224 291 L HN 0.475 nan 8.230 nan 0.000 0.416 292 H N 5.440 124.227 119.070 -0.471 0.000 2.527 292 H HA 0.564 5.129 4.556 0.015 0.000 0.321 292 H C -0.873 174.336 175.328 -0.199 0.000 1.087 292 H CA -0.480 55.241 56.048 -0.544 0.000 1.337 292 H CB 0.778 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 5.865 126.065 120.570 -0.617 0.000 2.339 293 I HA 0.107 4.286 4.170 0.015 0.000 0.290 293 I C 0.131 176.035 176.117 -0.356 0.000 0.994 293 I CA -0.423 60.665 61.300 -0.354 0.000 1.191 293 I CB 0.831 38.616 38.000 -0.358 0.000 1.343 293 I HN 0.723 nan 8.210 nan 0.000 0.458 294 H N 7.292 126.241 119.070 -0.203 0.000 2.502 294 H HA 0.289 4.854 4.556 0.015 0.000 0.327 294 H C 0.223 175.527 175.328 -0.041 0.000 1.099 294 H CA -0.399 55.497 56.048 -0.252 0.000 1.323 294 H CB 1.260 30.930 29.762 -0.153 0.000 1.450 294 H HN 0.505 nan 8.280 nan 0.000 0.502 295 R N 2.954 123.267 120.500 -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 30.149 30.300 -0.096 0.000 1.250 295 R HN 0.376 nan 8.270 nan 0.000 0.551 296 A N 1.460 124.400 122.820 0.199 0.000 2.580 296 A HA 0.101 4.430 4.320 0.015 0.000 0.244 296 A C 0.930 178.525 177.584 0.018 0.000 1.045 296 A CA 0.936 53.086 52.037 0.188 0.000 0.761 296 A CB -0.278 18.813 19.000 0.152 0.000 0.962 296 A HN 0.841 nan 8.150 nan 0.000 0.512 297 M N 0.568 120.179 119.600 0.017 0.000 3.035 297 M HA -0.280 4.210 4.480 0.015 0.000 0.218 297 M C 0.976 177.227 176.300 -0.082 0.000 0.567 297 M CA 1.790 57.052 55.300 -0.063 0.000 0.833 297 M CB -2.039 30.498 32.600 -0.105 0.000 2.966 297 M HN 1.254 nan 8.290 nan 0.000 0.300 298 H N -0.757 118.260 119.070 -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 1.892 57.917 56.048 -0.038 0.000 1.315 298 H CB -0.423 29.373 29.762 0.057 0.000 1.382 298 H HN 0.491 nan 8.280 nan 0.000 0.523 299 A N 1.120 123.422 122.820 -0.864 0.000 2.119 299 A HA 0.026 4.355 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 0.914 52.594 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 -0.182 119.626 119.914 -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 -0.528 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 1.668 177.789 176.117 0.005 0.000 1.174 301 I CA 0.970 62.257 61.300 -0.023 0.000 1.445 301 I CB -0.020 37.964 38.000 -0.026 0.000 1.175 301 I HN 0.443 nan 8.210 nan 0.000 0.447 302 D N -0.241 120.151 120.400 -0.013 0.000 2.433 302 D HA -0.030 4.619 4.640 0.015 0.000 0.211 302 D C 1.785 178.079 176.300 -0.009 0.000 1.114 302 D CA -0.063 53.942 54.000 0.009 0.000 0.837 302 D CB 0.003 40.841 40.800 0.063 0.000 0.984 302 D HN 0.006 nan 8.370 nan 0.000 0.505 303 R N 0.154 120.644 120.500 -0.018 0.000 2.062 303 R HA 0.039 4.388 4.340 0.015 0.000 0.226 303 R C 0.410 176.739 176.300 0.050 0.000 1.125 303 R CA 0.976 57.073 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 0.899 120.741 119.800 0.070 0.000 2.261 304 Q HA 0.080 4.429 4.340 0.015 0.000 0.252 304 Q C 0.266 176.347 176.000 0.135 0.000 0.915 304 Q CA -0.015 55.846 55.803 0.096 0.000 0.915 304 Q CB 1.473 30.270 28.738 0.099 0.000 1.204 304 Q HN 0.456 nan 8.270 nan 0.000 0.421 305 R N 0.822 121.405 120.500 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 0.606 56.806 56.100 0.167 0.000 1.054 305 R CB 0.001 30.401 30.300 0.168 0.000 0.985 305 R HN 0.467 nan 8.270 nan 0.000 0.489 306 N N 0.238 119.027 118.700 0.147 0.000 2.405 306 N HA -0.097 4.652 4.740 0.015 0.000 0.175 306 N C -0.397 175.254 175.510 0.234 0.000 1.051 306 N CA 0.464 53.602 53.050 0.148 0.000 0.899 306 N CB 0.086 38.643 38.487 0.117 0.000 1.000 306 N HN 0.385 nan 8.380 nan 0.000 0.451 307 H N -1.227 117.931 119.070 0.147 0.000 3.026 307 H HA 0.561 5.126 4.556 0.015 0.000 0.352 307 H C -0.008 175.454 175.328 0.222 0.000 1.090 307 H CA 0.404 56.576 56.048 0.207 0.000 1.268 307 H CB 1.456 31.322 29.762 0.173 0.000 1.816 307 H HN 0.359 nan 8.280 nan 0.000 0.518 308 G N 2.567 111.396 108.800 0.048 0.000 2.250 308 G HA2 0.017 3.986 3.960 0.015 0.000 0.252 308 G HA3 0.017 3.986 3.960 0.015 0.000 0.252 308 G C -1.610 173.354 174.900 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 1.004 121.603 120.570 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 0.105 0.000 1.032 309 I CA -0.904 60.439 61.300 0.071 0.000 1.073 309 I CB 1.987 39.986 38.000 -0.001 0.000 1.251 309 I HN 0.654 nan 8.210 nan 0.000 0.426 310 H N 4.816 123.930 119.070 0.074 0.000 2.790 310 H HA 0.007 4.572 4.556 0.015 0.000 0.358 310 H C 0.437 175.827 175.328 0.103 0.000 1.103 310 H CA 0.574 56.695 56.048 0.121 0.000 1.426 310 H CB 1.076 30.913 29.762 0.124 0.000 1.424 310 H HN 0.648 nan 8.280 nan 0.000 0.599 311 F N 5.176 124.908 119.950 -0.363 0.000 2.202 311 F HA -0.204 4.332 4.527 0.015 0.000 0.301 311 F C 2.653 178.377 175.800 -0.126 0.000 1.082 311 F CA 1.753 59.618 58.000 -0.224 0.000 1.313 311 F CB -0.123 38.632 39.000 -0.408 0.000 1.024 311 F HN 0.662 nan 8.300 nan 0.000 0.495 312 R N -0.162 120.386 120.500 0.080 0.000 2.189 312 R HA -0.087 4.262 4.340 0.015 0.000 0.223 312 R C 1.662 177.948 176.300 -0.023 0.000 1.092 312 R CA 1.716 57.828 56.100 0.020 0.000 0.989 312 R CB -1.056 29.477 30.300 0.388 0.000 0.876 312 R HN 0.315 nan 8.270 nan 0.000 0.457 313 V N 1.746 121.667 119.914 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 2.738 179.463 176.870 -0.241 0.000 1.085 314 L CA 1.458 56.243 54.840 -0.091 0.000 0.755 314 L CB -0.829 41.185 42.059 -0.076 0.000 0.904 314 L HN 0.359 nan 8.230 nan 0.000 0.435 315 A N 0.300 122.727 122.820 -0.656 0.000 1.877 315 A HA -0.207 4.122 4.320 0.015 0.000 0.216 315 A C 2.355 179.814 177.584 -0.208 0.000 1.186 315 A CA 1.600 53.319 52.037 -0.530 0.000 0.620 315 A CB -0.323 18.316 19.000 -0.603 0.000 0.822 315 A HN 0.293 nan 8.150 nan 0.000 0.443 316 K N -0.774 119.596 120.400 -0.051 0.000 2.026 316 K HA -0.159 4.170 4.320 0.015 0.000 0.208 316 K C 2.096 178.647 176.600 -0.083 0.000 1.048 316 K CA 1.517 57.884 56.287 0.134 0.000 0.929 316 K CB -0.493 32.208 32.500 0.335 0.000 0.713 316 K HN 0.566 nan 8.250 nan 0.000 0.439 317 C N 1.112 120.352 119.300 -0.100 0.000 2.425 317 C HA -0.084 4.385 4.460 0.015 0.000 0.277 317 C C 2.496 177.423 174.990 -0.104 0.000 1.280 317 C CA 0.310 59.201 59.018 -0.212 0.000 1.744 317 C CB -0.769 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 1.573 122.777 121.223 -0.031 0.000 2.056 318 L HA -0.096 4.253 4.340 0.015 0.000 0.207 318 L C 2.727 179.468 176.870 -0.216 0.000 1.078 318 L CA 1.899 56.642 54.840 -0.162 0.000 0.749 318 L CB -0.992 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 -0.183 120.162 120.500 -0.258 0.000 2.120 319 R HA -0.157 4.193 4.340 0.015 0.000 0.234 319 R C 2.293 178.439 176.300 -0.258 0.000 1.123 319 R CA 1.407 57.318 56.100 -0.314 0.000 0.975 319 R CB -0.259 29.716 30.300 -0.541 0.000 0.866 319 R HN 0.423 nan 8.270 nan 0.000 0.446 320 L N -0.492 120.551 121.223 -0.300 0.000 2.023 320 L HA -0.084 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 1.491 56.053 54.840 -0.463 0.000 0.745 320 L CB -0.649 40.718 42.059 -1.154 0.000 0.900 320 L HN 0.286 nan 8.230 nan 0.000 0.435 321 S N -0.816 114.830 115.700 -0.089 0.000 2.359 321 S HA 0.005 4.484 4.470 0.015 0.000 0.224 321 S C 0.836 175.486 174.600 0.084 0.000 1.035 321 S CA 1.129 59.405 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 4.397 3.960 0.015 0.000 0.507 322 G HA3 0.427 4.397 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 -0.430 44.644 45.100 -0.043 0.000 1.016 322 G HN 0.957 nan 8.290 nan 0.000 0.615 323 G N 0.610 109.335 108.800 -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 -0.149 174.675 174.900 -0.126 0.000 1.452 323 G CA 0.136 45.148 45.100 -0.147 0.000 0.940 323 G HN 0.328 nan 8.290 nan 0.000 0.547 324 D N -0.232 120.100 120.400 -0.113 0.000 2.216 324 D HA 0.071 4.720 4.640 0.015 0.000 0.208 324 D C 0.451 176.793 176.300 0.070 0.000 0.960 324 D CA 1.075 55.049 54.000 -0.043 0.000 0.861 324 D CB 0.286 41.054 40.800 -0.052 0.000 0.985 324 D HN 0.586 nan 8.370 nan 0.000 0.493 325 H N -0.767 118.194 119.070 -0.182 0.000 2.670 325 H HA 0.565 5.131 4.556 0.016 0.000 0.361 325 H C -0.971 174.181 175.328 -0.295 0.000 1.169 325 H CA -1.087 54.834 56.048 -0.213 0.000 1.198 325 H CB 2.595 32.240 29.762 -0.196 0.000 1.700 325 H HN -0.120 nan 8.280 nan 0.000 0.542 326 L N 1.588 122.750 121.223 -0.102 0.000 2.505 326 L HA 0.199 4.548 4.340 0.015 0.000 0.266 326 L C -0.882 175.964 176.870 -0.041 0.000 0.954 326 L CA -0.369 54.391 54.840 -0.132 0.000 0.852 326 L CB 1.486 43.463 42.059 -0.136 0.000 1.282 326 L HN 0.719 nan 8.230 nan 0.000 0.403 327 H N 2.693 121.629 119.070 -0.223 0.000 3.001 327 H HA 0.158 4.724 4.556 0.015 0.000 0.334 327 H C 0.293 175.507 175.328 -0.190 0.000 1.034 327 H CA 0.852 56.769 56.048 -0.218 0.000 1.420 327 H CB 0.941 30.512 29.762 -0.318 0.000 1.405 327 H HN 0.773 nan 8.280 nan 0.000 0.593 328 S N 1.720 117.384 115.700 -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 58.314 58.200 0.130 0.000 1.015 328 S CB 1.132 64.499 63.200 0.278 0.000 0.981 328 S HN 1.093 nan 8.310 nan 0.000 0.547 329 G N 1.358 110.125 108.800 -0.055 0.000 2.756 329 G HA2 -0.108 3.861 3.960 0.015 0.000 0.678 329 G HA3 -0.108 3.861 3.960 0.015 0.000 0.678 329 G C 0.303 175.231 174.900 0.047 0.000 1.349 329 G CA 0.195 45.295 45.100 -0.001 0.000 0.847 329 G HN 0.987 nan 8.290 nan 0.000 0.548 330 T N -3.463 111.123 114.554 0.053 0.000 2.955 330 T HA 0.441 4.801 4.350 0.015 0.000 0.251 330 T C 1.854 176.630 174.700 0.127 0.000 1.002 330 T CA 1.378 63.526 62.100 0.080 0.000 0.970 330 T CB 0.437 69.251 68.868 -0.090 0.000 1.091 330 T HN 2.267 nan 8.240 nan 0.000 0.495 331 V N 0.839 120.796 119.914 0.072 0.000 0.449 331 V HA -0.330 3.799 4.120 0.015 0.000 0.092 331 V C 2.072 178.159 176.094 -0.012 0.000 2.531 331 V CA 2.001 64.318 62.300 0.028 0.000 3.708 331 V CB -1.936 29.892 31.823 0.009 0.000 0.981 331 V HN 0.721 nan 8.190 nan 0.000 1.031 332 V N -1.521 118.354 119.914 -0.064 0.000 3.650 332 V HA 0.671 4.800 4.120 0.015 0.000 0.271 332 V C 1.296 177.231 176.094 -0.264 0.000 1.281 332 V CA 1.336 63.554 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 0.867 nan 8.190 nan 0.000 0.443 333 G N 1.415 110.070 108.800 -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 0.747 175.597 174.900 -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 1.548 122.767 121.223 -0.007 0.000 2.330 335 L HA 0.335 4.684 4.340 0.015 0.000 0.271 335 L C -0.160 176.717 176.870 0.012 0.000 1.013 335 L CA -1.108 53.737 54.840 0.007 0.000 0.816 335 L CB 1.842 43.911 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 0.905 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 3.720 112.560 108.800 0.067 0.000 2.552 337 G HA2 0.112 4.082 3.960 0.015 0.000 0.288 337 G HA3 0.112 4.082 3.960 0.015 0.000 0.288 337 G C -1.550 173.400 174.900 0.084 0.000 1.358 337 G CA -0.846 44.315 45.100 0.102 0.000 1.305 337 G HN 0.610 nan 8.290 nan 0.000 0.602 338 D N 1.568 122.035 120.400 0.113 0.000 2.351 338 D HA 0.217 4.867 4.640 0.015 0.000 0.251 338 D C 1.477 177.791 176.300 0.023 0.000 1.137 338 D CA -0.324 53.725 54.000 0.081 0.000 0.879 338 D CB 1.542 42.419 40.800 0.128 0.000 1.181 338 D HN 0.351 nan 8.370 nan 0.000 0.448 339 K N 3.470 123.862 120.400 -0.013 0.000 2.026 339 K HA -0.142 4.188 4.320 0.015 0.000 0.208 339 K C 1.758 178.292 176.600 -0.110 0.000 1.048 339 K CA 1.586 57.828 56.287 -0.076 0.000 0.929 339 K CB -0.225 32.236 32.500 -0.065 0.000 0.713 339 K HN 0.457 nan 8.250 nan 0.000 0.439 340 A N 0.194 122.975 122.820 -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 2.129 54.124 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 -0.865 114.821 115.700 -0.024 0.000 2.359 341 S HA -0.145 4.334 4.470 0.015 0.000 0.224 341 S C 2.123 176.569 174.600 -0.257 0.000 1.035 341 S CA 2.000 60.222 58.200 0.037 0.000 1.018 341 S CB -0.487 62.873 63.200 0.267 0.000 0.876 341 S HN 0.711 nan 8.310 nan 0.000 0.448 342 T N 2.621 116.908 114.554 -0.445 0.000 2.746 342 T HA 0.013 4.372 4.350 0.015 0.000 0.267 342 T C 1.732 175.996 174.700 -0.728 0.000 1.039 342 T CA 1.060 62.569 62.100 -0.985 0.000 1.142 342 T CB -0.374 68.239 68.868 -0.426 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 -0.032 4.317 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 1.259 55.941 54.840 -0.263 0.000 0.759 343 L CB -0.972 40.966 42.059 -0.202 0.000 0.903 343 L HN 0.353 nan 8.230 nan 0.000 0.435 344 G N 1.024 109.725 108.800 -0.164 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 1.275 176.228 174.900 0.090 0.000 1.186 344 G CA 0.966 46.049 45.100 -0.028 0.000 0.779 344 G HN 0.480 nan 8.290 nan 0.000 0.543 345 F N 0.457 120.496 119.950 0.148 0.000 2.615 345 F HA 0.310 4.847 4.527 0.016 0.000 0.297 345 F C 2.093 177.984 175.800 0.152 0.000 1.124 345 F CA -0.234 57.870 58.000 0.174 0.000 1.451 345 F CB -0.757 38.395 39.000 0.252 0.000 1.103 345 F HN -0.016 nan 8.300 nan 0.000 0.569 346 V N 1.196 121.232 119.914 0.203 0.000 2.358 346 V HA -0.241 3.888 4.120 0.015 0.000 0.246 346 V C 2.071 178.243 176.094 0.130 0.000 1.047 346 V CA 2.270 64.689 62.300 0.198 0.000 1.035 346 V CB -0.639 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 0.014 120.468 120.400 0.091 0.000 2.144 347 D HA -0.102 4.548 4.640 0.015 0.000 0.199 347 D C 2.109 178.483 176.300 0.124 0.000 0.984 347 D CA 1.093 55.144 54.000 0.085 0.000 0.834 347 D CB -0.218 40.622 40.800 0.066 0.000 0.955 347 D HN 0.327 nan 8.370 nan 0.000 0.465 348 L N 0.469 121.807 121.223 0.191 0.000 2.131 348 L HA -0.101 4.249 4.340 0.015 0.000 0.210 348 L C 2.397 179.326 176.870 0.097 0.000 1.092 348 L CA 0.891 55.894 54.840 0.272 0.000 0.759 348 L CB -0.397 41.862 42.059 0.334 0.000 0.903 348 L HN 0.159 nan 8.230 nan 0.000 0.435 349 M N -2.629 116.986 119.600 0.025 0.000 2.502 349 M HA 0.053 4.542 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 56.250 55.300 -0.156 0.000 1.055 349 M CB 0.159 32.733 32.600 -0.043 0.000 1.457 349 M HN -0.002 nan 8.290 nan 0.000 0.488 350 R N 0.418 120.852 120.500 -0.111 0.000 2.164 350 R HA 0.267 4.616 4.340 0.015 0.000 0.198 350 R C 0.369 176.615 176.300 -0.090 0.000 1.028 350 R CA 0.203 56.252 56.100 -0.086 0.000 1.083 350 R CB 0.498 30.795 30.300 -0.004 0.000 1.026 350 R HN 0.335 nan 8.270 nan 0.000 0.514 351 E N 0.505 120.685 120.200 -0.035 0.000 2.322 351 E HA 0.001 4.361 4.350 0.015 0.000 0.257 351 E C -0.077 176.578 176.600 0.091 0.000 1.155 351 E CA 0.155 56.581 56.400 0.043 0.000 0.936 351 E CB 1.058 30.819 29.700 0.100 0.000 1.130 351 E HN 0.012 nan 8.360 nan 0.000 0.465 352 D N -1.125 119.384 120.400 0.182 0.000 2.355 352 D HA -0.073 4.576 4.640 0.015 0.000 0.206 352 D C -0.329 176.216 176.300 0.409 0.000 1.010 352 D CA 0.574 54.748 54.000 0.289 0.000 0.875 352 D CB 0.462 41.381 40.800 0.198 0.000 0.966 352 D HN 0.279 nan 8.370 nan 0.000 0.512 353 H N -0.252 118.950 119.070 0.220 0.000 3.017 353 H HA 0.367 4.932 4.556 0.015 0.000 0.340 353 H C -1.683 173.732 175.328 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 30.366 29.762 0.097 0.000 1.739 353 H HN -0.135 nan 8.280 nan 0.000 0.506 354 I N 4.793 125.188 120.570 -0.292 0.000 2.439 354 I HA 0.123 4.303 4.170 0.015 0.000 0.285 354 I C 0.185 176.148 176.117 -0.256 0.000 1.021 354 I CA -0.546 60.676 61.300 -0.131 0.000 1.091 354 I CB 1.610 39.642 38.000 0.053 0.000 1.242 354 I HN 0.390 nan 8.210 nan 0.000 0.439 355 E N 3.977 124.092 120.200 -0.142 0.000 2.392 355 E HA 0.333 4.693 4.350 0.015 0.000 0.264 355 E C 0.147 176.725 176.600 -0.036 0.000 1.024 355 E CA -0.213 56.150 56.400 -0.061 0.000 0.903 355 E CB 1.142 30.868 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 4.355 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 1.035 121.369 120.400 -0.111 0.000 2.312 357 D HA 0.185 4.834 4.640 0.015 0.000 0.229 357 D C 0.800 176.982 176.300 -0.197 0.000 1.337 357 D CA -0.528 53.398 54.000 -0.124 0.000 0.964 357 D CB 0.477 41.232 40.800 -0.076 0.000 1.456 357 D HN 0.388 nan 8.370 nan 0.000 0.547 358 R N 1.024 121.361 120.500 -0.271 0.000 2.189 358 R HA -0.046 4.303 4.340 0.015 0.000 0.223 358 R C 1.727 177.872 176.300 -0.259 0.000 1.092 358 R CA 1.043 56.899 56.100 -0.407 0.000 0.989 358 R CB -0.385 29.650 30.300 -0.442 0.000 0.876 358 R HN 0.491 nan 8.270 nan 0.000 0.457 359 S N 0.182 115.786 115.700 -0.161 0.000 2.481 359 S HA -0.012 4.467 4.470 0.015 0.000 0.231 359 S C 1.552 176.101 174.600 -0.086 0.000 0.996 359 S CA 0.479 58.617 58.200 -0.104 0.000 0.942 359 S CB 0.053 63.206 63.200 -0.077 0.000 0.768 359 S HN 0.252 nan 8.310 nan 0.000 0.520 360 R N 0.110 120.552 120.500 -0.097 0.000 2.543 360 R HA 0.318 4.667 4.340 0.015 0.000 0.323 360 R C 1.147 177.413 176.300 -0.056 0.000 1.002 360 R CA 0.336 56.395 56.100 -0.068 0.000 1.106 360 R CB 0.504 30.766 30.300 -0.062 0.000 1.280 360 R HN 0.523 nan 8.270 nan 0.000 0.549 361 G N 1.060 109.791 108.800 -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 1.620 121.482 119.914 -0.087 0.000 2.339 362 V HA 0.455 4.584 4.120 0.015 0.000 0.261 362 V C 1.373 177.397 176.094 -0.117 0.000 1.058 362 V CA -0.294 62.005 62.300 -0.002 0.000 0.897 362 V CB 0.278 32.108 31.823 0.011 0.000 1.052 362 V HN 0.216 nan 8.190 nan 0.000 0.480 363 F N 3.396 123.194 119.950 -0.253 0.000 2.293 363 F HA 0.216 4.753 4.527 0.015 0.000 0.297 363 F C 0.738 176.215 175.800 -0.539 0.000 1.089 363 F CA 0.852 58.561 58.000 -0.486 0.000 1.377 363 F CB -0.018 38.510 39.000 -0.787 0.000 1.051 363 F HN 0.311 nan 8.300 nan 0.000 0.511 364 F N -1.201 118.854 119.950 0.174 0.000 2.546 364 F HA 0.383 4.919 4.527 0.016 0.000 0.320 364 F C 0.446 176.248 175.800 0.004 0.000 1.076 364 F CA -1.723 56.326 58.000 0.083 0.000 0.928 364 F CB 0.692 39.732 39.000 0.066 0.000 1.189 364 F HN -0.526 nan 8.300 nan 0.000 0.465 365 T N 1.918 116.570 114.554 0.163 0.000 2.853 365 T HA 0.221 4.580 4.350 0.015 0.000 0.298 365 T C -0.376 174.299 174.700 -0.041 0.000 0.978 365 T CA -0.004 62.097 62.100 0.003 0.000 1.152 365 T CB 0.474 69.334 68.868 -0.015 0.000 0.914 365 T HN 0.419 nan 8.240 nan 0.000 0.539 366 Q N 2.839 122.559 119.800 -0.133 0.000 2.331 366 Q HA 0.329 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 -0.509 55.167 55.803 -0.212 0.000 0.818 366 Q CB 1.100 29.736 28.738 -0.169 0.000 1.276 366 Q HN 0.525 nan 8.270 nan 0.000 0.450 367 D N 2.691 122.917 120.400 -0.291 0.000 2.252 367 D HA 0.248 4.898 4.640 0.015 0.000 0.245 367 D C -0.357 175.746 176.300 -0.329 0.000 1.009 367 D CA -0.168 53.750 54.000 -0.136 0.000 0.870 367 D CB 0.937 41.749 40.800 0.021 0.000 1.251 367 D HN 0.751 nan 8.370 nan 0.000 0.460 368 W N 0.312 121.641 121.300 0.049 0.000 2.714 368 W HA 0.300 4.969 4.660 0.015 0.000 0.353 368 W C 0.959 177.492 176.519 0.024 0.000 0.999 368 W CA -0.321 57.035 57.345 0.019 0.000 1.629 368 W CB 0.401 29.863 29.460 0.004 0.000 1.106 368 W HN 0.580 nan 8.180 nan 0.000 0.545 369 A N 0.777 123.720 122.820 0.204 0.000 2.704 369 A HA -0.238 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 1.269 53.389 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 -3.384 112.407 115.700 0.152 0.000 3.361 370 S HA -0.257 4.222 4.470 0.015 0.000 0.288 370 S C 0.324 174.978 174.600 0.089 0.000 1.269 370 S CA 1.360 59.623 58.200 0.106 0.000 0.976 370 S CB -1.961 61.283 63.200 0.074 0.000 1.162 370 S HN 1.818 nan 8.310 nan 0.000 0.643 371 M N 2.476 122.152 119.600 0.127 0.000 2.246 371 M HA 0.187 4.676 4.480 0.015 0.000 0.350 371 M C -2.237 174.046 176.300 -0.029 0.000 1.406 371 M CA -1.240 54.101 55.300 0.069 0.000 1.089 371 M CB 0.396 33.080 32.600 0.140 0.000 1.782 371 M HN -0.135 nan 8.290 nan 0.000 0.457 372 P HA 0.061 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 0.640 109.357 108.800 -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 -0.933 173.882 174.900 -0.142 0.000 1.196 373 G CA -0.424 44.563 45.100 -0.188 0.000 0.908 373 G HN 0.375 nan 8.290 nan 0.000 0.524 374 V N 0.902 120.723 119.914 -0.155 0.000 2.459 374 V HA 0.289 4.418 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 -0.104 0.000 0.874 374 V CB 1.640 33.370 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 0.439 nan 8.230 nan 0.000 0.462 376 P HA 0.071 nan 4.420 nan 0.000 0.276 376 P C -0.884 176.261 177.300 -0.260 0.000 1.230 376 P CA -0.159 62.886 63.100 -0.092 0.000 0.776 376 P CB 1.351 33.067 31.700 0.026 0.000 0.888 377 V N 3.160 122.887 119.914 -0.311 0.000 2.350 377 V HA 0.484 4.613 4.120 0.015 0.000 0.285 377 V C 0.463 176.231 176.094 -0.543 0.000 1.014 377 V CA -0.840 61.197 62.300 -0.438 0.000 0.831 377 V CB 1.230 32.777 31.823 -0.460 0.000 1.000 377 V HN 0.676 nan 8.190 nan 0.000 0.433 378 A N 3.880 126.328 122.820 -0.620 0.000 2.269 378 A HA 0.800 5.129 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 51.512 52.037 -0.589 0.000 0.894 378 A CB 0.889 19.423 19.000 -0.776 0.000 1.147 378 A HN 0.824 nan 8.150 nan 0.000 0.537 379 S N 1.608 117.105 115.700 -0.339 0.000 2.533 379 S HA 0.750 5.229 4.470 0.015 0.000 0.271 379 S C -0.517 173.993 174.600 -0.150 0.000 1.143 379 S CA 0.373 58.414 58.200 -0.265 0.000 0.891 379 S CB 1.330 64.422 63.200 -0.180 0.000 1.105 379 S HN 2.562 nan 8.310 nan 0.000 0.468 380 G N 1.722 110.431 108.800 -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 0.297 45.349 45.100 -0.080 0.000 1.178 380 G HN 2.121 nan 8.290 nan 0.000 0.510 381 G N 0.287 109.040 108.800 -0.080 0.000 2.160 381 G HA2 -0.027 3.942 3.960 0.015 0.000 0.251 381 G HA3 -0.027 3.942 3.960 0.015 0.000 0.251 381 G C 0.604 175.466 174.900 -0.064 0.000 1.008 381 G CA 0.979 46.049 45.100 -0.049 0.000 0.724 381 G HN 2.288 nan 8.290 nan 0.000 0.514 382 I N -1.957 118.547 120.570 -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 -1.374 59.919 61.300 -0.011 0.000 1.162 382 I CB 1.573 39.450 38.000 -0.206 0.000 1.332 382 I HN 0.303 nan 8.210 nan 0.000 0.458 383 H N 1.798 121.204 119.070 0.561 0.000 2.959 383 H HA 0.500 5.065 4.556 0.015 0.000 0.296 383 H C 0.716 176.176 175.328 0.220 0.000 1.421 383 H CA -0.425 55.775 56.048 0.253 0.000 1.206 383 H CB 0.443 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 -2.976 117.079 119.914 0.235 0.000 2.380 384 V HA -0.246 3.884 4.120 0.015 0.000 0.251 384 V C 1.431 177.518 176.094 -0.012 0.000 1.063 384 V CA 1.814 64.086 62.300 -0.046 0.000 1.055 384 V CB -1.293 30.394 31.823 -0.227 0.000 0.657 384 V HN 0.781 nan 8.190 nan 0.000 0.455 385 W N -0.243 121.163 121.300 0.177 0.000 2.468 385 W HA -0.015 4.655 4.660 0.015 0.000 0.262 385 W C 2.601 179.066 176.519 -0.091 0.000 1.241 385 W CA 1.182 58.540 57.345 0.021 0.000 1.232 385 W CB -0.454 29.045 29.460 0.065 0.000 1.124 385 W HN 0.356 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 0.004 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 -0.397 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 1.694 121.437 119.600 0.238 0.000 2.080 387 M HA -0.081 4.408 4.480 0.015 0.000 0.260 387 M C -0.918 175.478 176.300 0.160 0.000 1.068 387 M CA 1.602 57.017 55.300 0.193 0.000 1.109 387 M CB -0.864 31.782 32.600 0.076 0.000 1.342 387 M HN 0.065 nan 8.290 nan 0.000 0.405 388 P HA -0.016 nan 4.420 nan 0.000 0.217 388 P C 1.056 178.439 177.300 0.137 0.000 1.151 388 P CA 2.020 65.173 63.100 0.089 0.000 0.828 388 P CB -0.359 31.351 31.700 0.016 0.000 0.788 389 A N 0.157 123.072 122.820 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 1.288 53.464 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 -0.509 120.861 121.223 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 1.144 56.173 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 -0.103 119.951 119.914 0.232 0.000 2.427 391 V HA -0.273 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 1.943 64.357 62.300 0.191 0.000 1.048 391 V CB -0.437 31.477 31.823 0.151 0.000 0.666 391 V HN 0.471 nan 8.190 nan 0.000 0.456 392 E N 0.611 120.934 120.200 0.204 0.000 2.051 392 E HA -0.208 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 1.872 58.378 56.400 0.177 0.000 0.799 392 E CB -0.274 29.772 29.700 0.576 0.000 0.748 392 E HN 0.592 nan 8.360 nan 0.000 0.449 393 I N -0.709 119.813 120.570 -0.080 0.000 2.233 393 I HA -0.176 4.003 4.170 0.015 0.000 0.243 393 I C 1.565 177.404 176.117 -0.464 0.000 1.093 393 I CA 0.962 62.038 61.300 -0.373 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 1.597 177.399 175.800 0.004 0.000 1.122 394 F CA 0.548 58.544 58.000 -0.006 0.000 1.427 394 F CB -0.600 38.395 39.000 -0.009 0.000 1.125 394 F HN 0.146 nan 8.300 nan 0.000 0.583 395 G N 0.710 109.602 108.800 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 0.308 175.280 174.900 0.120 0.000 1.331 395 G CA 0.110 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 0.456 120.910 120.400 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 -0.092 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 0.759 121.202 120.400 0.072 0.000 2.619 397 D HA 0.172 4.821 4.640 0.015 0.000 0.224 397 D C -0.088 176.234 176.300 0.037 0.000 1.133 397 D CA 0.069 54.101 54.000 0.053 0.000 1.017 397 D CB 0.015 40.846 40.800 0.052 0.000 1.077 397 D HN 0.011 nan 8.370 nan 0.000 0.503 398 S N -1.287 114.418 115.700 0.008 0.000 2.588 398 S HA 0.603 5.082 4.470 0.015 0.000 0.269 398 S C -0.966 173.576 174.600 -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 -0.087 nan 8.310 nan 0.000 0.464 399 V N 1.758 121.560 119.914 -0.186 0.000 2.448 399 V HA 0.522 4.651 4.120 0.015 0.000 0.295 399 V C -0.766 175.214 176.094 -0.189 0.000 1.025 399 V CA -0.639 61.584 62.300 -0.127 0.000 0.859 399 V CB 1.197 32.926 31.823 -0.157 0.000 0.988 399 V HN 0.821 nan 8.190 nan 0.000 0.431 400 L N 5.049 126.212 121.223 -0.100 0.000 2.296 400 L HA 0.617 4.966 4.340 0.015 0.000 0.286 400 L C -0.239 176.495 176.870 -0.226 0.000 1.023 400 L CA -0.401 54.323 54.840 -0.193 0.000 0.812 400 L CB 1.438 43.499 42.059 0.004 0.000 1.223 400 L HN 0.600 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 -1.579 174.029 176.000 -0.654 0.000 1.012 401 Q CA -0.527 55.056 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 0.669 120.584 119.950 -0.058 0.000 2.513 402 F HA 0.359 4.895 4.527 0.015 0.000 0.358 402 F C 0.830 176.588 175.800 -0.071 0.000 1.118 402 F CA -0.653 57.303 58.000 -0.075 0.000 1.037 402 F CB 1.398 40.353 39.000 -0.076 0.000 1.276 402 F HN 0.746 nan 8.300 nan 0.000 0.446 403 G N 1.570 110.388 108.800 0.029 0.000 2.655 403 G HA2 0.068 4.038 3.960 0.015 0.000 0.217 403 G HA3 0.068 4.038 3.960 0.015 0.000 0.217 403 G C 1.752 176.663 174.900 0.018 0.000 1.279 403 G CA 0.600 45.713 45.100 0.022 0.000 0.870 403 G HN 0.759 nan 8.290 nan 0.000 0.560 404 G N 0.600 109.393 108.800 -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 -0.782 107.883 108.800 -0.224 0.000 2.776 405 G HA2 0.169 4.138 3.960 0.015 0.000 0.209 405 G HA3 0.169 4.138 3.960 0.015 0.000 0.209 405 G C 1.388 176.236 174.900 -0.087 0.000 1.145 405 G CA 1.447 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 1.992 176.774 174.700 0.136 0.000 0.983 406 T CA -0.079 62.072 62.100 0.085 0.000 1.151 406 T CB -0.022 68.875 68.868 0.049 0.000 0.974 406 T HN 0.051 nan 8.240 nan 0.000 0.442 407 L N 1.523 122.810 121.223 0.106 0.000 2.465 407 L HA 0.261 4.610 4.340 0.015 0.000 0.224 407 L C 2.261 179.240 176.870 0.182 0.000 1.145 407 L CA 0.917 55.822 54.840 0.110 0.000 0.834 407 L CB -0.316 41.779 42.059 0.060 0.000 0.944 407 L HN 0.367 nan 8.230 nan 0.000 0.451 408 G N -3.028 105.945 108.800 0.287 0.000 3.189 408 G HA2 -0.105 3.865 3.960 0.015 0.000 0.225 408 G HA3 -0.105 3.865 3.960 0.015 0.000 0.225 408 G C 0.507 175.700 174.900 0.487 0.000 1.159 408 G CA -0.307 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 2.465 121.738 119.070 0.338 0.000 3.253 409 H HA 0.056 4.622 4.556 0.015 0.000 0.250 409 H C -0.975 174.318 175.328 -0.059 0.000 1.051 409 H CA -1.293 54.797 56.048 0.070 0.000 1.458 409 H CB 1.356 31.137 29.762 0.032 0.000 1.549 409 H HN 0.058 nan 8.280 nan 0.000 0.506 410 P HA -0.247 nan 4.420 nan 0.000 0.224 410 P C 0.602 178.020 177.300 0.198 0.000 1.154 410 P CA 1.442 64.461 63.100 -0.135 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 1.320 177.877 176.519 0.064 0.000 1.151 411 W CA 0.537 57.898 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 0.940 109.899 108.800 0.265 0.000 2.447 412 G HA2 -0.284 3.686 3.960 0.015 0.000 0.220 412 G HA3 -0.284 3.686 3.960 0.015 0.000 0.220 412 G C 0.620 175.622 174.900 0.169 0.000 1.261 412 G CA -0.064 45.145 45.100 0.183 0.000 1.000 412 G HN -0.025 nan 8.290 nan 0.000 0.515 413 N N 0.088 118.850 118.700 0.103 0.000 2.109 413 N HA 0.144 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 2.577 55.661 53.050 0.057 0.000 0.846 413 N CB -0.702 37.803 38.487 0.029 0.000 1.010 413 N HN 1.058 nan 8.380 nan 0.000 0.425 414 A N 1.525 124.349 122.820 0.007 0.000 1.902 414 A HA -0.043 4.286 4.320 0.015 0.000 0.217 414 A C -0.365 177.177 177.584 -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 17.506 19.000 -0.012 0.000 0.818 414 A HN 0.250 nan 8.150 nan 0.000 0.443 415 P HA -0.060 nan 4.420 nan 0.000 0.219 415 P C 1.743 178.564 177.300 -0.799 0.000 1.150 415 P CA 1.681 64.695 63.100 -0.144 0.000 0.814 415 P CB -0.509 31.348 31.700 0.263 0.000 0.787 416 G N 0.659 109.192 108.800 -0.446 0.000 2.440 416 G HA2 -0.249 3.720 3.960 0.015 0.000 0.218 416 G HA3 -0.249 3.720 3.960 0.015 0.000 0.218 416 G C 1.748 176.467 174.900 -0.302 0.000 1.154 416 G CA 1.091 45.998 45.100 -0.322 0.000 0.767 416 G HN 0.343 nan 8.290 nan 0.000 0.552 417 A N 0.082 122.778 122.820 -0.208 0.000 1.898 417 A HA 0.013 4.342 4.320 0.015 0.000 0.216 417 A C 2.516 179.981 177.584 -0.199 0.000 1.181 417 A CA 2.373 54.312 52.037 -0.163 0.000 0.620 417 A CB -0.936 17.982 19.000 -0.137 0.000 0.819 417 A HN 0.278 nan 8.150 nan 0.000 0.442 418 T N 0.242 114.654 114.554 -0.235 0.000 2.746 418 T HA -0.030 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 2.000 124.586 122.820 -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 -0.222 0.000 1.186 419 A CA 2.205 54.063 52.037 -0.300 0.000 0.624 419 A CB -0.930 17.919 19.000 -0.251 0.000 0.822 419 A HN 0.626 nan 8.150 nan 0.000 0.444 420 N N -1.331 117.243 118.700 -0.211 0.000 2.142 420 N HA -0.150 4.599 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 1.312 54.224 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 0.432 nan 8.380 nan 0.000 0.424 421 R N 1.120 121.536 120.500 -0.141 0.000 2.081 421 R HA -0.003 4.346 4.340 0.015 0.000 0.235 421 R C 1.689 177.946 176.300 -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 0.759 120.621 119.914 -0.086 0.000 2.307 422 V HA -0.169 3.960 4.120 0.015 0.000 0.245 422 V C 2.347 178.389 176.094 -0.087 0.000 1.045 422 V CA 1.890 64.159 62.300 -0.052 0.000 1.024 422 V CB -0.934 30.801 31.823 -0.147 0.000 0.651 422 V HN 0.536 nan 8.190 nan 0.000 0.449 423 A N -0.190 122.533 122.820 -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 2.278 54.212 52.037 -0.171 0.000 0.627 423 A CB -0.580 18.274 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 -0.129 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 2.445 57.257 54.840 -0.048 0.000 0.744 424 L CB -0.607 41.426 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 -0.198 4.161 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 1.000 57.416 56.400 0.026 0.000 0.811 425 E CB -0.276 29.449 29.700 0.041 0.000 0.746 425 E HN 0.678 nan 8.360 nan 0.000 0.466 426 A N 0.842 123.696 122.820 0.057 0.000 1.902 426 A HA -0.187 4.143 4.320 0.015 0.000 0.217 426 A C 2.423 180.033 177.584 0.042 0.000 1.181 426 A CA 1.148 53.230 52.037 0.074 0.000 0.623 426 A CB -0.753 18.285 19.000 0.063 0.000 0.818 426 A HN 0.335 nan 8.150 nan 0.000 0.443 427 C N -1.448 117.865 119.300 0.021 0.000 2.466 427 C HA -0.011 4.458 4.460 0.015 0.000 0.278 427 C C 2.741 177.754 174.990 0.038 0.000 1.288 427 C CA 0.900 59.934 59.018 0.027 0.000 1.722 427 C CB -1.112 26.642 27.740 0.025 0.000 2.017 427 C HN 0.453 nan 8.230 nan 0.000 0.488 428 V N 0.653 120.589 119.914 0.036 0.000 2.358 428 V HA -0.270 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 2.134 64.458 62.300 0.039 0.000 1.035 428 V CB -0.879 30.964 31.823 0.032 0.000 0.658 428 V HN 0.622 nan 8.190 nan 0.000 0.452 429 Q N -0.005 119.818 119.800 0.038 0.000 2.061 429 Q HA -0.239 4.110 4.340 0.015 0.000 0.204 429 Q C 2.269 178.291 176.000 0.036 0.000 0.984 429 Q CA 2.197 58.021 55.803 0.036 0.000 0.846 429 Q CB -0.287 28.474 28.738 0.039 0.000 0.902 429 Q HN 0.620 nan 8.270 nan 0.000 0.421 430 A N 1.372 124.216 122.820 0.040 0.000 1.877 430 A HA -0.228 4.102 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 -0.247 120.280 120.500 0.044 0.000 2.083 431 R HA -0.204 4.145 4.340 0.015 0.000 0.237 431 R C 1.653 177.978 176.300 0.041 0.000 1.137 431 R CA 2.030 58.158 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 1.099 176.625 175.510 0.027 0.000 1.016 432 N CA 1.233 54.303 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 -0.929 119.287 120.200 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 0.367 56.781 56.400 0.023 0.000 0.865 433 E CB 0.167 29.880 29.700 0.022 0.000 0.833 433 E HN 0.418 nan 8.360 nan 0.000 0.510 434 G N 1.536 110.353 108.800 0.028 0.000 2.184 434 G HA2 -0.213 3.756 3.960 0.015 0.000 0.206 434 G HA3 -0.213 3.756 3.960 0.015 0.000 0.206 434 G C 0.109 175.029 174.900 0.034 0.000 0.995 434 G CA -0.523 44.594 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 0.324 4.673 4.340 0.015 0.000 0.277 435 R C -0.616 175.715 176.300 0.050 0.000 1.074 435 R CA -0.349 55.776 56.100 0.040 0.000 1.076 435 R CB 0.681 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 2.948 123.382 120.400 0.058 0.000 2.336 436 D HA 0.044 4.694 4.640 0.015 0.000 0.249 436 D C 1.128 177.482 176.300 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 1.709 178.650 176.870 0.119 0.000 1.092 437 L CA 0.854 55.754 54.840 0.099 0.000 0.759 437 L CB -0.446 41.677 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 38.307 38.460 0.025 0.000 0.987 438 Y HN -0.020 nan 8.280 nan 0.000 0.502 439 R N 0.340 120.849 120.500 0.015 0.000 2.119 439 R HA -0.058 4.291 4.340 0.015 0.000 0.222 439 R C 1.122 177.391 176.300 -0.052 0.000 1.088 439 R CA 1.753 57.819 56.100 -0.056 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 -1.035 119.160 120.200 -0.007 0.000 2.498 440 E HA 0.107 4.466 4.350 0.015 0.000 0.203 440 E C 1.385 177.986 176.600 0.001 0.000 1.013 440 E CA 0.176 56.578 56.400 0.003 0.000 0.927 440 E CB 0.957 30.671 29.700 0.022 0.000 1.012 440 E HN 0.485 nan 8.360 nan 0.000 0.482 441 G N 1.623 110.419 108.800 -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 0.934 46.036 45.100 0.003 0.000 0.771 441 G HN 0.381 nan 8.290 nan 0.000 0.551 442 G N 0.659 109.466 108.800 0.011 0.000 2.440 442 G HA2 -0.187 3.782 3.960 0.015 0.000 0.218 442 G HA3 -0.187 3.782 3.960 0.015 0.000 0.218 442 G C 1.489 176.384 174.900 -0.009 0.000 1.154 442 G CA 1.358 46.481 45.100 0.038 0.000 0.767 442 G HN 0.360 nan 8.290 nan 0.000 0.552 443 D N 0.686 121.088 120.400 0.003 0.000 2.097 443 D HA -0.058 4.591 4.640 0.015 0.000 0.197 443 D C 2.589 178.877 176.300 -0.020 0.000 0.984 443 D CA 0.482 54.481 54.000 -0.001 0.000 0.826 443 D CB -0.202 40.605 40.800 0.011 0.000 0.973 443 D HN 0.363 nan 8.370 nan 0.000 0.460 444 I N 0.856 121.415 120.570 -0.018 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 0.804 62.094 61.300 -0.016 0.000 1.382 444 I CB -0.148 37.851 38.000 -0.003 0.000 1.060 444 I HN -0.023 nan 8.210 nan 0.000 0.418 445 L N -0.286 120.866 121.223 -0.119 0.000 2.072 445 L HA -0.164 4.185 4.340 0.015 0.000 0.205 445 L C 2.760 179.477 176.870 -0.255 0.000 1.079 445 L CA 1.091 55.798 54.840 -0.221 0.000 0.752 445 L CB -0.435 41.433 42.059 -0.318 0.000 0.906 445 L HN 0.093 nan 8.230 nan 0.000 0.436 446 R N 0.355 120.736 120.500 -0.200 0.000 2.083 446 R HA -0.171 4.178 4.340 0.015 0.000 0.237 446 R C 2.143 178.371 176.300 -0.120 0.000 1.137 446 R CA 1.394 57.402 56.100 -0.154 0.000 0.951 446 R CB -0.370 29.892 30.300 -0.063 0.000 0.851 446 R HN 0.378 nan 8.270 nan 0.000 0.434 447 E N -0.343 119.818 120.200 -0.066 0.000 2.033 447 E HA -0.255 4.104 4.350 0.015 0.000 0.199 447 E C 1.992 178.559 176.600 -0.055 0.000 1.011 447 E CA 1.543 57.943 56.400 0.001 0.000 0.815 447 E CB -0.270 29.465 29.700 0.059 0.000 0.755 447 E HN 0.431 nan 8.360 nan 0.000 0.451 448 A N 1.006 123.728 122.820 -0.163 0.000 1.972 448 A HA -0.078 4.251 4.320 0.015 0.000 0.219 448 A C 2.404 179.439 177.584 -0.915 0.000 1.169 448 A CA 1.539 53.251 52.037 -0.542 0.000 0.635 448 A CB -0.961 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 -0.202 3.767 3.960 0.015 0.000 0.220 449 G HA3 -0.202 3.767 3.960 0.015 0.000 0.220 449 G C 1.567 176.275 174.900 -0.321 0.000 1.121 449 G CA 1.252 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 0.159 120.413 120.400 -0.243 0.000 2.097 450 K HA -0.040 4.289 4.320 0.015 0.000 0.206 450 K C 2.026 178.635 176.600 0.015 0.000 1.049 450 K CA 1.535 57.784 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 -2.105 119.186 121.300 -0.016 0.000 3.103 451 W HA 0.425 5.095 4.660 0.015 0.000 0.325 451 W C -0.098 176.420 176.519 -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 2.919 118.325 115.700 -0.490 0.000 2.532 452 S HA 0.366 4.845 4.470 0.015 0.000 0.318 452 S C -1.471 173.007 174.600 -0.203 0.000 1.083 452 S CA -1.328 56.654 58.200 -0.363 0.000 1.131 452 S CB 1.257 64.022 63.200 -0.726 0.000 0.973 452 S HN -0.304 nan 8.310 nan 0.000 0.468 453 P HA -0.151 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 1.022 64.158 63.100 0.060 0.000 0.837 453 P CB 0.135 32.009 31.700 0.289 0.000 0.786 454 E N -0.327 119.824 120.200 -0.082 0.000 2.152 454 E HA -0.130 4.230 4.350 0.015 0.000 0.192 454 E C 1.979 178.573 176.600 -0.011 0.000 0.983 454 E CA 0.840 57.122 56.400 -0.197 0.000 0.818 454 E CB -1.348 28.315 29.700 -0.062 0.000 0.758 454 E HN 0.213 nan 8.360 nan 0.000 0.467 455 L N 1.601 122.727 121.223 -0.161 0.000 2.056 455 L HA 0.052 4.401 4.340 0.015 0.000 0.207 455 L C 2.439 179.150 176.870 -0.266 0.000 1.078 455 L CA 1.936 56.652 54.840 -0.207 0.000 0.749 455 L CB -0.827 41.028 42.059 -0.340 0.000 0.901 455 L HN 0.111 nan 8.230 nan 0.000 0.433 456 A N -0.251 122.402 122.820 -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 1.916 53.801 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 -0.305 122.256 122.820 -0.432 0.000 1.933 457 A HA 0.151 4.480 4.320 0.015 0.000 0.218 457 A C 2.473 179.664 177.584 -0.655 0.000 1.175 457 A CA 2.137 53.806 52.037 -0.613 0.000 0.628 457 A CB -0.894 17.420 19.000 -1.143 0.000 0.814 457 A HN 1.033 nan 8.150 nan 0.000 0.444 458 A N -0.349 122.102 122.820 -0.615 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 -0.569 18.389 19.000 -0.070 0.000 0.821 458 A HN 0.446 nan 8.150 nan 0.000 0.443 459 L N -0.333 120.736 121.223 -0.256 0.000 2.042 459 L HA -0.230 4.119 4.340 0.015 0.000 0.210 459 L C 2.167 179.155 176.870 0.197 0.000 1.076 459 L CA 1.570 56.239 54.840 -0.285 0.000 0.749 459 L CB -0.686 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 -0.083 120.313 120.400 -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 1.150 55.152 54.000 0.004 0.000 0.827 460 D CB -0.116 40.617 40.800 -0.110 0.000 0.966 460 D HN 0.129 nan 8.370 nan 0.000 0.456 461 L N -0.349 120.665 121.223 -0.349 0.000 2.046 461 L HA -0.119 4.230 4.340 0.015 0.000 0.208 461 L C 1.286 177.856 176.870 -0.499 0.000 1.077 461 L CA 1.436 55.915 54.840 -0.601 0.000 0.747 461 L CB -0.300 41.053 42.059 -1.177 0.000 0.896 461 L HN 0.155 nan 8.230 nan 0.000 0.432 462 W N -0.427 120.769 121.300 -0.173 0.000 2.966 462 W HA 0.255 4.925 4.660 0.016 0.000 0.406 462 W C 1.593 177.849 176.519 -0.438 0.000 1.027 462 W CA -0.548 56.489 57.345 -0.513 0.000 1.930 462 W CB -0.526 28.346 29.460 -0.980 0.000 1.144 462 W HN 0.206 nan 8.180 nan 0.000 0.626 463 K N 1.540 121.958 120.400 0.031 0.000 2.642 463 K HA -0.152 4.177 4.320 0.015 0.000 0.194 463 K C -0.320 175.938 176.600 -0.570 0.000 1.039 463 K CA 1.253 57.022 56.287 -0.863 0.000 0.947 463 K CB 0.155 32.260 32.500 -0.659 0.000 0.784 463 K HN -0.118 nan 8.250 nan 0.000 0.491 464 E N 0.358 120.428 120.200 -0.215 0.000 2.649 464 E HA 0.055 4.415 4.350 0.015 0.000 0.308 464 E C -0.802 175.827 176.600 0.048 0.000 1.017 464 E CA -0.617 55.758 56.400 -0.042 0.000 0.848 464 E CB 0.741 30.475 29.700 0.056 0.000 1.240 464 E HN 0.055 nan 8.360 nan 0.000 0.421 465 I N 1.591 122.179 120.570 0.031 0.000 4.637 465 I HA -0.350 3.829 4.170 0.015 0.000 0.126 465 I C 0.159 176.357 176.117 0.134 0.000 1.134 465 I CA 1.309 62.665 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 6.258 126.715 120.400 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 55.338 56.287 0.020 0.000 0.837 466 K CB 1.382 33.804 32.500 -0.130 0.000 1.131 466 K HN 0.242 nan 8.250 nan 0.000 0.431 467 F N 1.077 120.968 119.950 -0.100 0.000 2.259 467 F HA -0.252 4.284 4.527 0.015 0.000 0.309 467 F C -0.393 175.339 175.800 -0.114 0.000 1.079 467 F CA 0.803 58.742 58.000 -0.102 0.000 1.099 467 F CB -1.144 37.858 39.000 0.002 0.000 1.521 467 F HN 0.577 nan 8.300 nan 0.000 0.783 468 E N 1.714 121.491 120.200 -0.706 0.000 2.397 468 E HA 0.368 4.728 4.350 0.015 0.000 0.293 468 E C -0.470 175.786 176.600 -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 0.988 120.943 119.950 0.008 0.000 2.637 469 F HA 0.190 4.727 4.527 0.015 0.000 0.284 469 F C 1.073 176.903 175.800 0.049 0.000 1.105 469 F CA 0.245 58.285 58.000 0.067 0.000 1.356 469 F CB 0.536 39.611 39.000 0.126 0.000 1.096 469 F HN 0.585 nan 8.300 nan 0.000 0.616 470 E N 0.245 120.648 120.200 0.339 0.000 8.774 470 E HA -0.220 4.139 4.350 0.015 0.000 0.169 470 E C -0.625 176.332 176.600 0.595 0.000 1.453 470 E CA 0.626 57.248 56.400 0.370 0.000 2.527 470 E CB -0.549 29.255 29.700 0.172 0.000 1.274 470 E HN 0.107 nan 8.360 nan 0.000 0.438 471 T N 1.913 116.525 114.554 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 0.047 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 1.566 121.185 119.600 0.032 0.000 2.156 472 M HA 0.105 4.594 4.480 0.015 0.000 0.238 472 M C 1.343 177.654 176.300 0.019 0.000 1.165 472 M CA 0.570 55.884 55.300 0.023 0.000 1.153 472 M CB -1.561 31.050 32.600 0.017 0.000 1.200 472 M HN 0.532 nan 8.290 nan 0.000 0.442 473 D N 3.302 123.711 120.400 0.016 0.000 2.813 473 D HA -0.080 4.570 4.640 0.015 0.000 0.236 473 D C -0.436 175.871 176.300 0.011 0.000 1.135 473 D CA 0.493 54.500 54.000 0.011 0.000 1.515 473 D CB -0.422 40.383 40.800 0.009 0.000 1.148 473 D HN 0.162 nan 8.370 nan 0.000 0.487 474 K N 1.416 121.822 120.400 0.011 0.000 2.185 474 K HA 0.263 4.592 4.320 0.015 0.000 0.271 474 K C 0.808 177.413 176.600 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