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 1rsc_1_F 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 0.000 174.606 174.600 0.010 0.000 1.055 9 S CA 0.000 58.203 58.200 0.006 0.000 1.107 9 S CB 0.000 63.206 63.200 0.010 0.000 0.593 10 A N 0.907 123.737 122.820 0.018 0.000 2.279 10 A HA 0.760 5.080 4.320 0.001 0.000 0.306 10 A C 0.015 177.622 177.584 0.039 0.000 1.300 10 A CA -0.098 51.955 52.037 0.026 0.000 0.925 10 A CB -0.332 18.686 19.000 0.029 0.000 1.152 10 A HN 1.317 nan 8.150 nan 0.000 0.544 11 A N 2.564 125.408 122.820 0.040 0.000 2.357 11 A HA 0.790 5.111 4.320 0.001 0.000 0.295 11 A C 0.305 177.924 177.584 0.059 0.000 1.121 11 A CA 0.004 52.069 52.037 0.045 0.000 0.742 11 A CB 0.431 19.449 19.000 0.030 0.000 1.181 11 A HN 2.688 nan 8.150 nan 0.000 0.454 12 G N 1.105 109.955 108.800 0.084 0.000 3.238 12 G HA2 0.109 4.070 3.960 0.001 0.000 0.684 12 G HA3 0.109 4.070 3.960 0.001 0.000 0.684 12 G C -0.796 174.201 174.900 0.162 0.000 1.156 12 G CA -0.413 44.744 45.100 0.095 0.000 1.048 12 G HN 1.841 nan 8.290 nan 0.000 0.462 13 Y N 4.197 124.523 120.300 0.043 0.000 2.436 13 Y HA 0.602 5.153 4.550 0.001 0.000 0.343 13 Y C 0.353 176.272 175.900 0.032 0.000 1.008 13 Y CA -1.298 56.837 58.100 0.059 0.000 1.241 13 Y CB 1.068 39.589 38.460 0.102 0.000 1.153 13 Y HN 0.534 nan 8.280 nan 0.000 0.521 14 K N 6.663 126.957 120.400 -0.178 0.000 2.507 14 K HA 0.670 4.991 4.320 0.001 0.000 0.253 14 K C -1.228 175.110 176.600 -0.437 0.000 0.969 14 K CA -0.418 55.673 56.287 -0.327 0.000 0.908 14 K CB 0.842 33.269 32.500 -0.123 0.000 1.127 14 K HN 0.785 nan 8.250 nan 0.000 0.437 15 A N 2.505 124.916 122.820 -0.682 0.000 2.425 15 A HA 0.602 4.923 4.320 0.001 0.000 0.242 15 A C 0.543 178.017 177.584 -0.184 0.000 1.077 15 A CA 0.820 52.612 52.037 -0.409 0.000 0.781 15 A CB -0.131 18.662 19.000 -0.346 0.000 1.020 15 A HN 1.203 nan 8.150 nan 0.000 0.494 16 G N -0.990 107.738 108.800 -0.120 0.000 2.392 16 G HA2 0.298 4.258 3.960 0.001 0.000 0.677 16 G HA3 0.298 4.258 3.960 0.001 0.000 0.677 16 G C -0.830 174.005 174.900 -0.108 0.000 1.334 16 G CA -0.496 44.545 45.100 -0.099 0.000 0.961 16 G HN 1.465 nan 8.290 nan 0.000 0.616 17 V N 1.886 121.755 119.914 -0.076 0.000 2.470 17 V HA 0.360 4.481 4.120 0.001 0.000 0.276 17 V C 0.828 176.883 176.094 -0.065 0.000 1.040 17 V CA 0.254 62.513 62.300 -0.069 0.000 1.008 17 V CB 0.711 32.552 31.823 0.031 0.000 0.990 17 V HN 0.720 nan 8.190 nan 0.000 0.477 18 K N 2.743 123.088 120.400 -0.093 0.000 2.280 18 K HA 0.508 4.828 4.320 0.001 0.000 0.234 18 K C -0.985 175.542 176.600 -0.121 0.000 1.028 18 K CA -1.128 55.115 56.287 -0.073 0.000 0.882 18 K CB 1.077 33.552 32.500 -0.042 0.000 1.194 18 K HN 0.439 nan 8.250 nan 0.000 0.458 19 D N 0.643 121.007 120.400 -0.060 0.000 2.389 19 D HA 0.021 4.661 4.640 0.001 0.000 0.247 19 D C 0.800 177.110 176.300 0.017 0.000 1.128 19 D CA 0.264 54.241 54.000 -0.038 0.000 0.884 19 D CB 0.395 41.212 40.800 0.027 0.000 1.194 19 D HN 0.400 nan 8.370 nan 0.000 0.441 20 Y N 1.510 121.872 120.300 0.104 0.000 2.224 20 Y HA -0.208 4.343 4.550 0.001 0.000 0.289 20 Y C 2.305 178.319 175.900 0.191 0.000 1.146 20 Y CA 1.129 59.325 58.100 0.161 0.000 1.182 20 Y CB -0.299 38.194 38.460 0.056 0.000 0.983 20 Y HN 0.459 nan 8.280 nan 0.000 0.524 21 K N 0.250 120.811 120.400 0.269 0.000 2.442 21 K HA -0.096 4.224 4.320 0.001 0.000 0.198 21 K C 1.577 178.302 176.600 0.207 0.000 1.042 21 K CA 1.240 57.667 56.287 0.234 0.000 0.958 21 K CB -0.557 32.021 32.500 0.131 0.000 0.766 21 K HN 0.352 nan 8.250 nan 0.000 0.474 22 L N 1.096 122.408 121.223 0.147 0.000 2.093 22 L HA -0.090 4.251 4.340 0.001 0.000 0.208 22 L C 1.889 178.777 176.870 0.030 0.000 1.085 22 L CA 1.431 56.319 54.840 0.081 0.000 0.755 22 L CB -0.378 41.712 42.059 0.051 0.000 0.904 22 L HN 0.288 nan 8.230 nan 0.000 0.435 23 T N -2.694 111.868 114.554 0.013 0.000 3.042 23 T HA 0.016 4.367 4.350 0.001 0.000 0.245 23 T C 1.276 175.753 174.700 -0.372 0.000 1.029 23 T CA 0.509 62.472 62.100 -0.228 0.000 1.120 23 T CB 0.088 68.724 68.868 -0.388 0.000 0.917 23 T HN 0.139 nan 8.240 nan 0.000 0.467 24 Y N -0.624 119.722 120.300 0.077 0.000 2.462 24 Y HA 0.373 4.924 4.550 0.001 0.000 0.253 24 Y C 0.333 176.282 175.900 0.082 0.000 1.095 24 Y CA -1.090 57.035 58.100 0.042 0.000 1.283 24 Y CB 0.338 38.809 38.460 0.019 0.000 1.138 24 Y HN 0.143 nan 8.280 nan 0.000 0.522 25 Y N 2.564 122.919 120.300 0.092 0.000 2.452 25 Y HA 0.339 4.890 4.550 0.001 0.000 0.348 25 Y C 0.158 176.088 175.900 0.051 0.000 0.985 25 Y CA -1.065 57.070 58.100 0.059 0.000 1.214 25 Y CB 0.404 38.893 38.460 0.048 0.000 1.136 25 Y HN 0.025 nan 8.280 nan 0.000 0.523 26 T N 6.024 120.424 114.554 -0.256 0.000 3.317 26 T HA 0.279 4.630 4.350 0.001 0.000 0.361 26 T C -2.323 172.265 174.700 -0.187 0.000 1.499 26 T CA -1.765 60.206 62.100 -0.215 0.000 1.529 26 T CB 1.098 69.935 68.868 -0.052 0.000 0.997 26 T HN 0.474 nan 8.240 nan 0.000 0.624 27 P HA 0.077 nan 4.420 nan 0.000 0.234 27 P C 0.348 177.652 177.300 0.007 0.000 1.167 27 P CA 0.547 63.523 63.100 -0.207 0.000 0.763 27 P CB 0.277 31.785 31.700 -0.321 0.000 0.835 28 D N -1.791 118.610 120.400 0.001 0.000 2.339 28 D HA -0.004 4.637 4.640 0.001 0.000 0.217 28 D C 0.270 176.608 176.300 0.063 0.000 1.050 28 D CA -0.150 53.869 54.000 0.032 0.000 0.856 28 D CB -0.385 40.418 40.800 0.005 0.000 0.922 28 D HN 0.149 nan 8.370 nan 0.000 0.518 29 Y N 1.530 121.836 120.300 0.010 0.000 2.442 29 Y HA 0.120 4.670 4.550 0.001 0.000 0.330 29 Y C 0.007 175.871 175.900 -0.060 0.000 1.129 29 Y CA 0.161 58.249 58.100 -0.019 0.000 1.365 29 Y CB 0.650 39.110 38.460 0.001 0.000 1.233 29 Y HN -0.338 nan 8.280 nan 0.000 0.529 30 T N 9.437 123.460 114.554 -0.885 0.000 2.772 30 T HA 0.311 4.662 4.350 0.001 0.000 0.288 30 T C -2.635 171.417 174.700 -1.080 0.000 0.994 30 T CA -1.451 60.212 62.100 -0.728 0.000 0.951 30 T CB 1.002 69.632 68.868 -0.397 0.000 0.933 30 T HN 0.434 nan 8.240 nan 0.000 0.447 31 P HA 0.180 nan 4.420 nan 0.000 0.264 31 P C -0.121 177.013 177.300 -0.276 0.000 1.193 31 P CA -0.267 62.559 63.100 -0.457 0.000 0.763 31 P CB 0.538 32.014 31.700 -0.374 0.000 0.810 32 K N 1.883 122.208 120.400 -0.125 0.000 2.138 32 K HA 0.086 4.407 4.320 0.001 0.000 0.251 32 K C 0.978 177.549 176.600 -0.048 0.000 1.015 32 K CA -0.184 56.060 56.287 -0.071 0.000 0.917 32 K CB 0.248 32.744 32.500 -0.006 0.000 1.021 32 K HN 0.347 nan 8.250 nan 0.000 0.485 33 D N 0.337 120.714 120.400 -0.039 0.000 2.348 33 D HA -0.094 4.547 4.640 0.001 0.000 0.216 33 D C 1.196 177.488 176.300 -0.013 0.000 0.970 33 D CA 1.168 55.149 54.000 -0.030 0.000 0.889 33 D CB 0.027 40.813 40.800 -0.024 0.000 0.912 33 D HN 0.673 nan 8.370 nan 0.000 0.524 34 T N -2.718 111.840 114.554 0.007 0.000 3.086 34 T HA 0.050 4.400 4.350 0.001 0.000 0.250 34 T C 0.504 175.240 174.700 0.060 0.000 1.074 34 T CA -0.507 61.613 62.100 0.034 0.000 0.988 34 T CB 0.397 69.292 68.868 0.044 0.000 0.988 34 T HN -0.243 nan 8.240 nan 0.000 0.530 35 D N 1.733 122.162 120.400 0.049 0.000 2.382 35 D HA 0.274 4.915 4.640 0.001 0.000 0.245 35 D C -0.316 176.004 176.300 0.034 0.000 1.120 35 D CA -0.399 53.651 54.000 0.084 0.000 0.890 35 D CB 1.176 42.023 40.800 0.079 0.000 1.201 35 D HN 0.290 nan 8.370 nan 0.000 0.433 36 L N 2.949 124.229 121.223 0.096 0.000 2.281 36 L HA 0.305 4.645 4.340 0.001 0.000 0.285 36 L C -0.912 175.964 176.870 0.011 0.000 1.074 36 L CA -0.437 54.367 54.840 -0.061 0.000 0.817 36 L CB 0.235 42.180 42.059 -0.191 0.000 1.168 36 L HN 0.183 nan 8.230 nan 0.000 0.434 37 L N 5.692 126.769 121.223 -0.244 0.000 2.317 37 L HA 0.798 5.139 4.340 0.001 0.000 0.281 37 L C -0.131 176.546 176.870 -0.321 0.000 1.024 37 L CA -0.575 54.112 54.840 -0.255 0.000 0.810 37 L CB 1.607 43.271 42.059 -0.659 0.000 1.240 37 L HN 0.700 nan 8.230 nan 0.000 0.427 38 A N 2.246 125.114 122.820 0.080 0.000 2.365 38 A HA 0.884 5.205 4.320 0.001 0.000 0.318 38 A C -0.670 177.020 177.584 0.177 0.000 1.091 38 A CA -0.550 51.516 52.037 0.048 0.000 0.763 38 A CB 1.721 20.755 19.000 0.057 0.000 1.248 38 A HN 0.754 nan 8.150 nan 0.000 0.442 39 A N 1.715 124.504 122.820 -0.052 0.000 2.273 39 A HA 0.747 5.068 4.320 0.001 0.000 0.315 39 A C -1.082 176.213 177.584 -0.482 0.000 1.256 39 A CA -0.283 51.494 52.037 -0.434 0.000 0.851 39 A CB -0.052 18.411 19.000 -0.894 0.000 1.172 39 A HN 0.629 nan 8.150 nan 0.000 0.508 40 F N 1.273 121.110 119.950 -0.189 0.000 2.450 40 F HA 0.564 5.092 4.527 0.001 0.000 0.332 40 F C 0.815 176.723 175.800 0.180 0.000 1.093 40 F CA -0.404 57.581 58.000 -0.025 0.000 1.003 40 F CB 1.815 40.792 39.000 -0.038 0.000 1.151 40 F HN 0.577 nan 8.300 nan 0.000 0.474 41 R N 4.492 125.211 120.500 0.367 0.000 2.265 41 R HA 0.524 4.865 4.340 0.001 0.000 0.328 41 R C -1.712 174.717 176.300 0.215 0.000 0.969 41 R CA -0.394 55.843 56.100 0.229 0.000 0.832 41 R CB 0.614 31.016 30.300 0.170 0.000 1.139 41 R HN 0.656 nan 8.270 nan 0.000 0.457 42 F N 0.038 119.990 119.950 0.005 0.000 2.613 42 F HA 0.601 5.128 4.527 0.001 0.000 0.314 42 F C -1.293 174.539 175.800 0.053 0.000 1.075 42 F CA -0.999 57.002 58.000 0.002 0.000 0.945 42 F CB 2.000 40.967 39.000 -0.056 0.000 1.310 42 F HN 0.131 nan 8.300 nan 0.000 0.467 43 S N 3.113 118.901 115.700 0.147 0.000 2.596 43 S HA 0.579 5.050 4.470 0.001 0.000 0.318 43 S C -2.815 171.925 174.600 0.233 0.000 1.097 43 S CA -1.298 56.963 58.200 0.101 0.000 1.080 43 S CB 1.567 64.794 63.200 0.046 0.000 0.991 43 S HN 0.453 nan 8.310 nan 0.000 0.471 44 P HA 0.161 nan 4.420 nan 0.000 0.275 44 P C -0.475 176.899 177.300 0.124 0.000 1.228 44 P CA -0.609 62.617 63.100 0.211 0.000 0.786 44 P CB 0.432 32.242 31.700 0.183 0.000 0.927 45 Q N 2.018 121.876 119.800 0.097 0.000 2.428 45 Q HA 0.094 4.435 4.340 0.001 0.000 0.276 45 Q C -1.966 174.067 176.000 0.055 0.000 1.059 45 Q CA -1.105 54.737 55.803 0.065 0.000 0.923 45 Q CB -0.819 27.951 28.738 0.053 0.000 1.283 45 Q HN 0.343 nan 8.270 nan 0.000 0.447 46 P HA -0.050 nan 4.420 nan 0.000 0.260 46 P C 0.480 177.798 177.300 0.029 0.000 1.185 46 P CA 1.212 64.332 63.100 0.034 0.000 0.763 46 P CB 0.151 31.866 31.700 0.024 0.000 0.776 47 G N 1.650 110.466 108.800 0.027 0.000 2.176 47 G HA2 -0.201 3.759 3.960 0.001 0.000 0.253 47 G HA3 -0.201 3.759 3.960 0.001 0.000 0.253 47 G C -0.036 174.877 174.900 0.023 0.000 0.979 47 G CA -0.175 44.938 45.100 0.021 0.000 0.641 47 G HN 0.516 nan 8.290 nan 0.000 0.530 48 V N 3.282 123.214 119.914 0.029 0.000 2.333 48 V HA 0.473 4.594 4.120 0.001 0.000 0.274 48 V C -1.302 174.795 176.094 0.005 0.000 1.028 48 V CA -1.548 60.770 62.300 0.029 0.000 0.851 48 V CB 1.410 33.264 31.823 0.051 0.000 1.000 48 V HN 0.245 nan 8.190 nan 0.000 0.456 49 P HA 0.177 nan 4.420 nan 0.000 0.271 49 P C 0.722 177.942 177.300 -0.134 0.000 1.218 49 P CA -0.135 62.919 63.100 -0.076 0.000 0.780 49 P CB 1.384 33.041 31.700 -0.071 0.000 0.901 50 A N 3.566 126.232 122.820 -0.257 0.000 1.917 50 A HA -0.251 4.069 4.320 0.001 0.000 0.219 50 A C 1.663 179.099 177.584 -0.247 0.000 1.182 50 A CA 2.365 54.189 52.037 -0.356 0.000 0.633 50 A CB -1.380 17.060 19.000 -0.934 0.000 0.819 50 A HN 0.649 nan 8.150 nan 0.000 0.448 51 D N -0.525 119.657 120.400 -0.363 0.000 2.183 51 D HA -0.133 4.508 4.640 0.001 0.000 0.203 51 D C 1.618 177.668 176.300 -0.416 0.000 0.969 51 D CA 1.399 55.035 54.000 -0.607 0.000 0.842 51 D CB -0.502 39.722 40.800 -0.960 0.000 0.957 51 D HN 0.513 nan 8.370 nan 0.000 0.484 52 E N 0.758 120.821 120.200 -0.227 0.000 2.158 52 E HA 0.060 4.411 4.350 0.001 0.000 0.191 52 E C 1.975 178.502 176.600 -0.121 0.000 0.982 52 E CA 1.240 57.587 56.400 -0.088 0.000 0.823 52 E CB -0.432 29.261 29.700 -0.011 0.000 0.766 52 E HN 0.259 nan 8.360 nan 0.000 0.468 53 A N 0.233 122.935 122.820 -0.196 0.000 1.898 53 A HA 0.027 4.347 4.320 0.001 0.000 0.216 53 A C 2.447 179.654 177.584 -0.627 0.000 1.181 53 A CA 1.558 53.394 52.037 -0.335 0.000 0.620 53 A CB -1.269 17.596 19.000 -0.225 0.000 0.819 53 A HN 0.399 nan 8.150 nan 0.000 0.442 54 G N -0.554 107.881 108.800 -0.608 0.000 2.422 54 G HA2 0.034 3.995 3.960 0.001 0.000 0.218 54 G HA3 0.034 3.995 3.960 0.001 0.000 0.218 54 G C 1.677 176.349 174.900 -0.381 0.000 1.146 54 G CA 1.338 46.097 45.100 -0.569 0.000 0.769 54 G HN 0.777 nan 8.290 nan 0.000 0.547 55 A N 0.961 123.635 122.820 -0.242 0.000 1.968 55 A HA 0.416 4.736 4.320 0.001 0.000 0.217 55 A C 2.754 180.113 177.584 -0.375 0.000 1.169 55 A CA 1.839 53.814 52.037 -0.103 0.000 0.638 55 A CB -0.564 18.507 19.000 0.120 0.000 0.812 55 A HN 0.676 nan 8.150 nan 0.000 0.446 56 A N 0.118 122.597 122.820 -0.568 0.000 1.933 56 A HA -0.071 4.249 4.320 0.001 0.000 0.218 56 A C 2.079 179.011 177.584 -1.087 0.000 1.175 56 A CA 1.499 52.844 52.037 -1.155 0.000 0.628 56 A CB -0.553 17.966 19.000 -0.802 0.000 0.814 56 A HN 0.490 nan 8.150 nan 0.000 0.444 57 I N -0.309 119.755 120.570 -0.843 0.000 2.202 57 I HA -0.253 3.917 4.170 0.001 0.000 0.242 57 I C 2.970 178.739 176.117 -0.580 0.000 1.091 57 I CA 1.087 61.908 61.300 -0.799 0.000 1.368 57 I CB -0.333 37.118 38.000 -0.913 0.000 1.058 57 I HN 0.334 nan 8.210 nan 0.000 0.410 58 A N 0.628 123.172 122.820 -0.461 0.000 1.933 58 A HA -0.162 4.159 4.320 0.001 0.000 0.218 58 A C 2.482 179.820 177.584 -0.410 0.000 1.175 58 A CA 1.924 53.782 52.037 -0.298 0.000 0.628 58 A CB -0.779 18.125 19.000 -0.159 0.000 0.814 58 A HN 0.449 nan 8.150 nan 0.000 0.444 59 A N -0.294 122.049 122.820 -0.795 0.000 1.840 59 A HA -0.080 4.240 4.320 0.001 0.000 0.214 59 A C 1.950 179.146 177.584 -0.646 0.000 1.198 59 A CA 1.876 53.150 52.037 -1.271 0.000 0.608 59 A CB -0.490 17.673 19.000 -1.395 0.000 0.839 59 A HN 0.469 nan 8.150 nan 0.000 0.443 60 E N 0.558 120.406 120.200 -0.586 0.000 2.478 60 E HA -0.066 4.284 4.350 0.001 0.000 0.198 60 E C 1.652 178.142 176.600 -0.184 0.000 1.046 60 E CA 1.190 57.391 56.400 -0.331 0.000 0.870 60 E CB -0.216 29.226 29.700 -0.429 0.000 0.818 60 E HN 0.625 nan 8.360 nan 0.000 0.527 61 S N -1.811 113.793 115.700 -0.159 0.000 2.540 61 S HA 0.139 4.610 4.470 0.001 0.000 0.218 61 S C 1.342 176.018 174.600 0.126 0.000 0.977 61 S CA 0.279 58.490 58.200 0.019 0.000 0.918 61 S CB 0.252 63.519 63.200 0.112 0.000 0.806 61 S HN 0.224 nan 8.310 nan 0.000 0.496 62 S N 1.766 117.504 115.700 0.063 0.000 3.600 62 S HA 0.192 4.663 4.470 0.001 0.000 0.179 62 S C 1.468 176.086 174.600 0.030 0.000 0.816 62 S CA 0.612 58.875 58.200 0.106 0.000 0.916 62 S CB -0.304 63.010 63.200 0.190 0.000 1.164 62 S HN 0.507 nan 8.310 nan 0.000 0.709 63 T N -1.103 113.479 114.554 0.047 0.000 2.969 63 T HA 0.452 4.803 4.350 0.001 0.000 0.258 63 T C 0.861 175.598 174.700 0.062 0.000 0.962 63 T CA 0.329 62.469 62.100 0.067 0.000 0.903 63 T CB -0.073 68.889 68.868 0.156 0.000 1.177 63 T HN 0.676 nan 8.240 nan 0.000 0.511 64 G N 0.463 109.260 108.800 -0.006 0.000 2.451 64 G HA2 0.543 4.504 3.960 0.001 0.000 0.303 64 G HA3 0.543 4.504 3.960 0.001 0.000 0.303 64 G C -0.713 174.219 174.900 0.054 0.000 1.166 64 G CA -0.184 44.937 45.100 0.035 0.000 0.884 64 G HN 0.268 nan 8.290 nan 0.000 0.514 65 T N -0.767 113.862 114.554 0.127 0.000 2.676 65 T HA 0.442 4.792 4.350 0.001 0.000 0.269 65 T C 0.759 175.604 174.700 0.242 0.000 0.952 65 T CA -0.425 61.793 62.100 0.196 0.000 1.040 65 T CB 0.777 69.710 68.868 0.108 0.000 1.352 65 T HN 0.674 nan 8.240 nan 0.000 0.554 66 W N 1.190 122.590 121.300 0.167 0.000 2.658 66 W HA 0.225 4.886 4.660 0.001 0.000 0.263 66 W C 0.143 176.658 176.519 -0.005 0.000 1.274 66 W CA 0.604 58.013 57.345 0.106 0.000 1.343 66 W CB -1.488 28.040 29.460 0.113 0.000 1.106 66 W HN 0.628 nan 8.180 nan 0.000 0.615 67 T N -0.449 113.551 114.554 -0.923 0.000 2.927 67 T HA 0.407 4.757 4.350 0.001 0.000 0.286 67 T C -0.215 174.284 174.700 -0.335 0.000 1.040 67 T CA -0.550 61.143 62.100 -0.678 0.000 1.010 67 T CB 1.897 70.184 68.868 -0.968 0.000 1.177 67 T HN -0.218 nan 8.240 nan 0.000 0.546 68 T N 2.092 116.541 114.554 -0.176 0.000 2.814 68 T HA 0.504 4.854 4.350 0.001 0.000 0.297 68 T C 0.300 175.053 174.700 0.088 0.000 0.956 68 T CA -0.621 61.475 62.100 -0.007 0.000 1.123 68 T CB 0.256 69.163 68.868 0.064 0.000 0.902 68 T HN 0.755 nan 8.240 nan 0.000 0.528 69 V N 2.663 122.596 119.914 0.032 0.000 2.581 69 V HA 0.491 4.612 4.120 0.001 0.000 0.303 69 V C 1.119 177.081 176.094 -0.220 0.000 1.041 69 V CA -1.179 61.075 62.300 -0.076 0.000 0.907 69 V CB 1.393 33.089 31.823 -0.212 0.000 0.994 69 V HN 1.038 nan 8.190 nan 0.000 0.442 70 W N 2.397 123.321 121.300 -0.627 0.000 2.465 70 W HA -0.076 4.585 4.660 0.001 0.000 0.268 70 W C 1.394 177.704 176.519 -0.348 0.000 1.242 70 W CA 1.346 58.180 57.345 -0.852 0.000 1.248 70 W CB -1.712 26.965 29.460 -1.304 0.000 1.118 70 W HN 0.754 nan 8.180 nan 0.000 0.587 71 T N -0.917 112.947 114.554 -1.150 0.000 2.962 71 T HA -0.209 4.142 4.350 0.001 0.000 0.270 71 T C 1.115 175.550 174.700 -0.441 0.000 1.088 71 T CA 1.591 63.062 62.100 -1.048 0.000 1.127 71 T CB -0.609 67.645 68.868 -1.023 0.000 0.883 71 T HN -0.111 nan 8.240 nan 0.000 0.493 72 D N 1.820 122.047 120.400 -0.288 0.000 2.158 72 D HA -0.054 4.586 4.640 0.001 0.000 0.197 72 D C 1.773 178.031 176.300 -0.069 0.000 0.995 72 D CA 0.894 54.818 54.000 -0.126 0.000 0.846 72 D CB -0.372 40.394 40.800 -0.057 0.000 0.941 72 D HN 0.415 nan 8.370 nan 0.000 0.456 73 L N -0.098 121.094 121.223 -0.051 0.000 2.552 73 L HA 0.039 4.380 4.340 0.001 0.000 0.227 73 L C 2.060 178.942 176.870 0.020 0.000 1.146 73 L CA 0.041 54.891 54.840 0.015 0.000 0.858 73 L CB -0.057 42.044 42.059 0.070 0.000 0.969 73 L HN 0.042 nan 8.230 nan 0.000 0.451 74 L N -1.112 120.097 121.223 -0.022 0.000 2.395 74 L HA -0.016 4.324 4.340 0.001 0.000 0.218 74 L C 1.344 178.212 176.870 -0.003 0.000 1.130 74 L CA 0.646 55.481 54.840 -0.008 0.000 0.826 74 L CB -0.136 41.887 42.059 -0.060 0.000 0.941 74 L HN 0.223 nan 8.230 nan 0.000 0.451 75 T N -2.070 112.482 114.554 -0.003 0.000 2.807 75 T HA 0.182 4.533 4.350 0.001 0.000 0.277 75 T C -1.213 173.529 174.700 0.071 0.000 1.006 75 T CA -0.625 61.505 62.100 0.050 0.000 1.006 75 T CB 1.806 70.705 68.868 0.053 0.000 1.274 75 T HN -0.131 nan 8.240 nan 0.000 0.569 76 D N 2.272 122.748 120.400 0.126 0.000 2.485 76 D HA 0.248 4.889 4.640 0.001 0.000 0.229 76 D C 1.161 177.497 176.300 0.060 0.000 1.101 76 D CA -0.393 53.635 54.000 0.047 0.000 0.906 76 D CB 0.250 41.036 40.800 -0.023 0.000 1.019 76 D HN 0.311 nan 8.370 nan 0.000 0.516 77 M N 1.310 120.941 119.600 0.051 0.000 2.374 77 M HA -0.081 4.400 4.480 0.001 0.000 0.264 77 M C 0.791 177.077 176.300 -0.022 0.000 1.067 77 M CA 0.811 56.145 55.300 0.057 0.000 1.103 77 M CB -0.239 32.368 32.600 0.013 0.000 1.402 77 M HN 0.300 nan 8.290 nan 0.000 0.444 78 D N 0.556 120.912 120.400 -0.073 0.000 2.178 78 D HA -0.143 4.497 4.640 0.001 0.000 0.201 78 D C 1.917 178.130 176.300 -0.145 0.000 0.980 78 D CA 1.001 54.934 54.000 -0.111 0.000 0.842 78 D CB -0.069 40.676 40.800 -0.091 0.000 0.948 78 D HN 0.434 nan 8.370 nan 0.000 0.472 79 R N -1.187 119.184 120.500 -0.216 0.000 2.317 79 R HA 0.056 4.396 4.340 0.001 0.000 0.208 79 R C 0.819 176.849 176.300 -0.451 0.000 0.914 79 R CA 0.815 56.706 56.100 -0.348 0.000 1.060 79 R CB -0.298 29.729 30.300 -0.454 0.000 1.015 79 R HN 0.118 nan 8.270 nan 0.000 0.498 80 Y N 0.875 121.150 120.300 -0.043 0.000 2.467 80 Y HA 0.273 4.823 4.550 0.001 0.000 0.259 80 Y C 0.035 175.929 175.900 -0.011 0.000 1.084 80 Y CA -0.729 57.352 58.100 -0.032 0.000 1.275 80 Y CB 0.323 38.764 38.460 -0.032 0.000 1.208 80 Y HN 0.024 nan 8.280 nan 0.000 0.511 81 K N 0.981 121.448 120.400 0.112 0.000 2.295 81 K HA 0.428 4.748 4.320 0.001 0.000 0.270 81 K C 0.632 177.268 176.600 0.060 0.000 1.011 81 K CA -0.104 56.271 56.287 0.145 0.000 0.953 81 K CB 0.787 33.297 32.500 0.017 0.000 0.956 81 K HN 0.112 nan 8.250 nan 0.000 0.477 82 G N 2.060 110.928 108.800 0.114 0.000 2.491 82 G HA2 0.148 4.109 3.960 0.001 0.000 0.242 82 G HA3 0.148 4.109 3.960 0.001 0.000 0.242 82 G C -0.974 173.872 174.900 -0.091 0.000 1.266 82 G CA -0.685 44.331 45.100 -0.141 0.000 0.844 82 G HN 0.565 nan 8.290 nan 0.000 0.571 83 K N 1.171 121.435 120.400 -0.226 0.000 2.572 83 K HA 0.251 4.571 4.320 0.001 0.000 0.244 83 K C -0.518 176.121 176.600 0.066 0.000 0.965 83 K CA -0.503 55.705 56.287 -0.132 0.000 0.943 83 K CB 1.535 33.773 32.500 -0.436 0.000 1.154 83 K HN 0.454 nan 8.250 nan 0.000 0.447 84 C N 5.233 124.594 119.300 0.101 0.000 2.663 84 C HA 0.077 4.538 4.460 0.001 0.000 0.379 84 C C 1.060 176.199 174.990 0.249 0.000 1.255 84 C CA -0.302 58.817 59.018 0.169 0.000 1.503 84 C CB -1.523 26.316 27.740 0.165 0.000 2.187 84 C HN 0.936 nan 8.230 nan 0.000 0.580 85 Y N 2.653 123.096 120.300 0.238 0.000 2.449 85 Y HA 0.442 4.992 4.550 0.001 0.000 0.254 85 Y C 0.755 176.844 175.900 0.315 0.000 1.140 85 Y CA -0.111 58.126 58.100 0.229 0.000 1.272 85 Y CB -0.487 38.169 38.460 0.327 0.000 1.114 85 Y HN 0.758 nan 8.280 nan 0.000 0.525 86 H N 0.388 119.372 119.070 -0.143 0.000 3.086 86 H HA 0.516 5.073 4.556 0.001 0.000 0.353 86 H C -1.988 173.503 175.328 0.271 0.000 1.134 86 H CA -0.913 55.151 56.048 0.027 0.000 1.248 86 H CB 1.828 31.469 29.762 -0.202 0.000 1.878 86 H HN 0.152 nan 8.280 nan 0.000 0.527 87 I N 4.287 124.618 120.570 -0.398 0.000 2.533 87 I HA 0.221 4.391 4.170 0.001 0.000 0.290 87 I C -0.758 175.216 176.117 -0.238 0.000 1.056 87 I CA -0.647 60.605 61.300 -0.079 0.000 1.057 87 I CB 2.373 40.405 38.000 0.053 0.000 1.240 87 I HN 0.571 nan 8.210 nan 0.000 0.423 88 E N 7.196 127.511 120.200 0.192 0.000 2.314 88 E HA 0.564 4.915 4.350 0.001 0.000 0.272 88 E C -2.951 173.811 176.600 0.271 0.000 0.884 88 E CA -2.184 54.384 56.400 0.280 0.000 0.753 88 E CB 2.649 32.651 29.700 0.504 0.000 1.213 88 E HN 0.145 nan 8.360 nan 0.000 0.432 89 P HA 0.028 nan 4.420 nan 0.000 0.275 89 P C 0.061 177.246 177.300 -0.192 0.000 1.227 89 P CA -0.441 62.549 63.100 -0.184 0.000 0.781 89 P CB 1.045 32.630 31.700 -0.190 0.000 0.906 90 V N 2.042 121.705 119.914 -0.418 0.000 2.529 90 V HA 0.123 4.243 4.120 0.001 0.000 0.292 90 V C 1.457 177.444 176.094 -0.178 0.000 1.028 90 V CA 0.274 62.376 62.300 -0.330 0.000 1.074 90 V CB -0.726 30.801 31.823 -0.493 0.000 0.958 90 V HN 0.748 nan 8.190 nan 0.000 0.481 91 Q N 3.819 123.586 119.800 -0.054 0.000 2.242 91 Q HA 0.411 4.751 4.340 0.001 0.000 0.284 91 Q C 1.472 177.441 176.000 -0.051 0.000 1.130 91 Q CA 0.703 56.487 55.803 -0.032 0.000 0.940 91 Q CB -0.395 28.351 28.738 0.014 0.000 1.146 91 Q HN 2.028 nan 8.270 nan 0.000 0.388 92 G N 1.372 110.132 108.800 -0.066 0.000 2.241 92 G HA2 -0.203 3.757 3.960 0.001 0.000 0.244 92 G HA3 -0.203 3.757 3.960 0.001 0.000 0.244 92 G C 0.314 175.166 174.900 -0.080 0.000 0.998 92 G CA 0.265 45.330 45.100 -0.057 0.000 0.621 92 G HN 0.861 nan 8.290 nan 0.000 0.519 93 E N 1.734 121.860 120.200 -0.123 0.000 2.200 93 E HA 0.516 4.867 4.350 0.001 0.000 0.283 93 E C 0.489 176.972 176.600 -0.196 0.000 1.015 93 E CA -0.415 55.895 56.400 -0.149 0.000 0.819 93 E CB 0.460 30.049 29.700 -0.185 0.000 1.081 93 E HN 0.614 nan 8.360 nan 0.000 0.397 94 E N 3.119 123.229 120.200 -0.150 0.000 2.289 94 E HA 0.154 4.504 4.350 0.001 0.000 0.278 94 E C -0.240 176.249 176.600 -0.186 0.000 1.032 94 E CA -0.541 55.770 56.400 -0.150 0.000 0.854 94 E CB 0.456 30.106 29.700 -0.083 0.000 1.046 94 E HN 0.490 nan 8.360 nan 0.000 0.409 95 N N 1.204 119.763 118.700 -0.235 0.000 2.735 95 N HA -0.205 4.536 4.740 0.001 0.000 0.248 95 N C -1.742 173.562 175.510 -0.342 0.000 1.083 95 N CA 1.129 54.067 53.050 -0.187 0.000 0.703 95 N CB -0.959 37.513 38.487 -0.025 0.000 1.005 95 N HN 0.448 nan 8.380 nan 0.000 0.550 96 S N 0.026 115.317 115.700 -0.681 0.000 2.532 96 S HA 0.740 5.210 4.470 0.001 0.000 0.299 96 S C -1.418 172.514 174.600 -1.114 0.000 1.105 96 S CA -0.452 57.339 58.200 -0.683 0.000 1.018 96 S CB 0.626 63.560 63.200 -0.442 0.000 1.021 96 S HN 0.270 nan 8.310 nan 0.000 0.483 97 Y N 1.610 121.454 120.300 -0.761 0.000 2.545 97 Y HA 0.604 5.155 4.550 0.001 0.000 0.348 97 Y C -0.804 174.728 175.900 -0.613 0.000 1.002 97 Y CA -1.136 56.535 58.100 -0.716 0.000 1.039 97 Y CB 0.903 38.846 38.460 -0.862 0.000 1.271 97 Y HN 0.494 nan 8.280 nan 0.000 0.467 98 F N 1.501 121.513 119.950 0.103 0.000 2.410 98 F HA 0.681 5.209 4.527 0.001 0.000 0.349 98 F C 0.324 176.292 175.800 0.279 0.000 1.117 98 F CA -1.125 56.959 58.000 0.140 0.000 1.104 98 F CB 1.028 40.123 39.000 0.157 0.000 1.122 98 F HN 0.513 nan 8.300 nan 0.000 0.483 99 A N 4.362 127.473 122.820 0.486 0.000 2.292 99 A HA 0.758 5.079 4.320 0.001 0.000 0.319 99 A C -1.327 176.314 177.584 0.096 0.000 1.206 99 A CA -0.396 51.852 52.037 0.352 0.000 0.835 99 A CB 0.132 19.258 19.000 0.210 0.000 1.164 99 A HN 0.523 nan 8.150 nan 0.000 0.505 100 F N 2.170 122.215 119.950 0.159 0.000 2.426 100 F HA 0.575 5.103 4.527 0.001 0.000 0.348 100 F C 0.100 175.847 175.800 -0.088 0.000 1.124 100 F CA -0.459 57.578 58.000 0.061 0.000 1.008 100 F CB 1.485 40.406 39.000 -0.131 0.000 1.139 100 F HN 0.321 nan 8.300 nan 0.000 0.452 101 I N 2.971 123.760 120.570 0.365 0.000 2.465 101 I HA 0.646 4.816 4.170 0.001 0.000 0.291 101 I C -0.440 175.852 176.117 0.293 0.000 1.014 101 I CA -1.031 60.428 61.300 0.265 0.000 1.093 101 I CB 1.927 39.976 38.000 0.082 0.000 1.267 101 I HN 0.643 nan 8.210 nan 0.000 0.431 102 A N 6.104 129.040 122.820 0.193 0.000 2.305 102 A HA 0.772 5.093 4.320 0.001 0.000 0.322 102 A C -1.522 175.939 177.584 -0.205 0.000 1.187 102 A CA -0.232 51.842 52.037 0.063 0.000 0.825 102 A CB 0.477 19.524 19.000 0.079 0.000 1.164 102 A HN 0.604 nan 8.150 nan 0.000 0.498 103 Y N 1.883 122.270 120.300 0.144 0.000 2.391 103 Y HA 0.438 4.989 4.550 0.001 0.000 0.341 103 Y C -2.358 173.662 175.900 0.199 0.000 0.965 103 Y CA -2.355 55.859 58.100 0.190 0.000 1.067 103 Y CB 1.911 40.602 38.460 0.384 0.000 1.199 103 Y HN 0.488 nan 8.280 nan 0.000 0.450 104 P HA -0.035 nan 4.420 nan 0.000 0.269 104 P C 0.730 178.185 177.300 0.258 0.000 1.209 104 P CA -0.145 63.062 63.100 0.178 0.000 0.776 104 P CB 0.913 32.665 31.700 0.087 0.000 0.876 105 L N 2.940 124.300 121.223 0.229 0.000 2.129 105 L HA -0.201 4.139 4.340 0.001 0.000 0.212 105 L C 1.246 178.251 176.870 0.226 0.000 1.087 105 L CA 2.068 57.072 54.840 0.274 0.000 0.757 105 L CB -1.006 41.154 42.059 0.168 0.000 0.896 105 L HN 0.265 nan 8.230 nan 0.000 0.434 106 D N -0.735 119.745 120.400 0.133 0.000 2.310 106 D HA -0.118 4.523 4.640 0.001 0.000 0.212 106 D C 2.153 178.445 176.300 -0.014 0.000 0.965 106 D CA 0.912 54.976 54.000 0.106 0.000 0.879 106 D CB -0.074 40.850 40.800 0.206 0.000 0.921 106 D HN 0.405 nan 8.370 nan 0.000 0.510 107 L N -0.736 120.355 121.223 -0.220 0.000 2.478 107 L HA 0.030 4.370 4.340 0.001 0.000 0.223 107 L C 0.074 176.493 176.870 -0.751 0.000 1.140 107 L CA 0.366 54.866 54.840 -0.567 0.000 0.842 107 L CB -0.103 41.447 42.059 -0.847 0.000 0.953 107 L HN -0.115 nan 8.230 nan 0.000 0.452 108 F N -0.312 119.667 119.950 0.048 0.000 2.469 108 F HA 0.321 4.848 4.527 0.001 0.000 0.332 108 F C 0.615 176.423 175.800 0.013 0.000 1.103 108 F CA -1.403 56.616 58.000 0.032 0.000 0.979 108 F CB 0.993 40.028 39.000 0.059 0.000 1.137 108 F HN -0.181 nan 8.300 nan 0.000 0.463 109 E N 1.738 122.024 120.200 0.143 0.000 2.376 109 E HA 0.078 4.429 4.350 0.001 0.000 0.266 109 E C -0.718 175.894 176.600 0.020 0.000 1.009 109 E CA -0.447 55.986 56.400 0.055 0.000 0.902 109 E CB 0.564 30.278 29.700 0.023 0.000 0.972 109 E HN 0.520 nan 8.360 nan 0.000 0.439 110 E N 2.329 122.503 120.200 -0.043 0.000 2.417 110 E HA 0.178 4.528 4.350 0.001 0.000 0.261 110 E C 0.709 177.094 176.600 -0.358 0.000 1.000 110 E CA 1.298 57.606 56.400 -0.153 0.000 0.919 110 E CB 0.655 30.289 29.700 -0.111 0.000 0.955 110 E HN 0.784 nan 8.360 nan 0.000 0.455 111 G N 2.695 110.983 108.800 -0.853 0.000 2.160 111 G HA2 -0.306 3.655 3.960 0.001 0.000 0.251 111 G HA3 -0.306 3.655 3.960 0.001 0.000 0.251 111 G C 0.199 174.646 174.900 -0.756 0.000 1.008 111 G CA 0.406 44.670 45.100 -1.393 0.000 0.724 111 G HN 0.514 nan 8.290 nan 0.000 0.514 112 S N -0.807 114.683 115.700 -0.350 0.000 2.669 112 S HA 0.554 5.024 4.470 0.001 0.000 0.315 112 S C 1.329 176.044 174.600 0.192 0.000 1.106 112 S CA 0.062 58.270 58.200 0.013 0.000 1.107 112 S CB 1.528 64.735 63.200 0.012 0.000 0.990 112 S HN 0.534 nan 8.310 nan 0.000 0.471 113 V N 4.831 124.865 119.914 0.200 0.000 2.453 113 V HA -0.086 4.034 4.120 0.001 0.000 0.247 113 V C 2.515 178.531 176.094 -0.131 0.000 1.048 113 V CA 2.234 64.496 62.300 -0.064 0.000 1.049 113 V CB -0.891 30.669 31.823 -0.438 0.000 0.672 113 V HN 0.871 nan 8.190 nan 0.000 0.457 114 T N 0.269 114.805 114.554 -0.029 0.000 2.653 114 T HA -0.290 4.060 4.350 0.001 0.000 0.268 114 T C 1.877 176.602 174.700 0.042 0.000 1.035 114 T CA 2.149 64.270 62.100 0.034 0.000 1.154 114 T CB -0.481 68.443 68.868 0.093 0.000 0.862 114 T HN 0.581 nan 8.240 nan 0.000 0.441 115 N N 0.475 119.216 118.700 0.068 0.000 2.216 115 N HA -0.025 4.716 4.740 0.001 0.000 0.183 115 N C 2.006 177.609 175.510 0.156 0.000 1.017 115 N CA 0.847 53.958 53.050 0.101 0.000 0.861 115 N CB -0.116 38.439 38.487 0.113 0.000 0.986 115 N HN 0.375 nan 8.380 nan 0.000 0.428 116 I N 1.279 121.941 120.570 0.154 0.000 2.226 116 I HA -0.273 3.898 4.170 0.001 0.000 0.245 116 I C 2.281 178.417 176.117 0.031 0.000 1.100 116 I CA 0.889 62.254 61.300 0.107 0.000 1.374 116 I CB -0.177 37.811 38.000 -0.019 0.000 1.057 116 I HN 0.183 nan 8.210 nan 0.000 0.413 117 L N -0.120 121.096 121.223 -0.013 0.000 2.056 117 L HA -0.182 4.159 4.340 0.001 0.000 0.207 117 L C 2.614 179.494 176.870 0.017 0.000 1.078 117 L CA 1.478 56.303 54.840 -0.025 0.000 0.749 117 L CB -0.831 41.196 42.059 -0.053 0.000 0.901 117 L HN 0.258 nan 8.230 nan 0.000 0.433 118 T N -1.041 113.535 114.554 0.037 0.000 2.788 118 T HA -0.156 4.194 4.350 0.001 0.000 0.268 118 T C 2.140 176.871 174.700 0.052 0.000 1.044 118 T CA 1.610 63.736 62.100 0.044 0.000 1.139 118 T CB -0.027 68.868 68.868 0.045 0.000 0.867 118 T HN 0.258 nan 8.240 nan 0.000 0.454 119 S N 0.860 116.600 115.700 0.067 0.000 2.336 119 S HA 0.044 4.514 4.470 0.001 0.000 0.216 119 S C 2.053 176.678 174.600 0.043 0.000 1.032 119 S CA 0.613 58.846 58.200 0.055 0.000 0.973 119 S CB -0.206 63.049 63.200 0.091 0.000 0.888 119 S HN 0.303 nan 8.310 nan 0.000 0.455 120 I N 1.660 122.243 120.570 0.022 0.000 2.315 120 I HA -0.026 4.145 4.170 0.001 0.000 0.248 120 I C 1.899 178.172 176.117 0.260 0.000 1.117 120 I CA 1.235 62.568 61.300 0.055 0.000 1.404 120 I CB -1.210 36.753 38.000 -0.062 0.000 1.071 120 I HN 0.298 nan 8.210 nan 0.000 0.419 121 V N -2.651 117.370 119.914 0.179 0.000 3.159 121 V HA 0.537 4.658 4.120 0.001 0.000 0.333 121 V C 1.694 177.855 176.094 0.111 0.000 1.424 121 V CA 0.360 62.791 62.300 0.218 0.000 1.125 121 V CB -0.311 31.484 31.823 -0.046 0.000 1.075 121 V HN 0.187 nan 8.190 nan 0.000 0.482 122 G N 1.827 110.693 108.800 0.110 0.000 2.433 122 G HA2 -0.153 3.807 3.960 0.001 0.000 0.216 122 G HA3 -0.153 3.807 3.960 0.001 0.000 0.216 122 G C 1.198 176.165 174.900 0.112 0.000 1.186 122 G CA 1.392 46.540 45.100 0.079 0.000 0.779 122 G HN 0.559 nan 8.290 nan 0.000 0.543 123 N N -0.647 118.140 118.700 0.146 0.000 2.325 123 N HA -0.007 4.734 4.740 0.001 0.000 0.220 123 N C 2.187 177.833 175.510 0.228 0.000 1.176 123 N CA 0.874 54.028 53.050 0.174 0.000 0.861 123 N CB 0.395 38.974 38.487 0.153 0.000 1.230 123 N HN 0.277 nan 8.380 nan 0.000 0.479 124 V N -1.149 118.853 119.914 0.147 0.000 2.867 124 V HA -0.012 4.109 4.120 0.001 0.000 0.260 124 V C 1.632 177.739 176.094 0.021 0.000 1.099 124 V CA 1.204 63.465 62.300 -0.066 0.000 1.122 124 V CB -1.169 30.463 31.823 -0.319 0.000 0.708 124 V HN -0.078 nan 8.190 nan 0.000 0.490 125 F N 2.369 122.354 119.950 0.058 0.000 2.558 125 F HA 0.332 4.860 4.527 0.001 0.000 0.298 125 F C 2.286 178.213 175.800 0.212 0.000 1.119 125 F CA 1.097 59.170 58.000 0.121 0.000 1.451 125 F CB -0.447 38.610 39.000 0.095 0.000 1.091 125 F HN 0.348 nan 8.300 nan 0.000 0.563 126 G N -1.820 107.187 108.800 0.346 0.000 3.277 126 G HA2 0.024 3.984 3.960 0.001 0.000 0.243 126 G HA3 0.024 3.984 3.960 0.001 0.000 0.243 126 G C 0.028 175.051 174.900 0.205 0.000 1.107 126 G CA -0.235 45.013 45.100 0.246 0.000 0.771 126 G HN 0.023 nan 8.290 nan 0.000 0.544 127 F N 1.883 121.846 119.950 0.021 0.000 2.593 127 F HA 0.121 4.648 4.527 0.001 0.000 0.393 127 F C 1.828 177.625 175.800 -0.005 0.000 1.037 127 F CA 0.329 58.319 58.000 -0.017 0.000 1.195 127 F CB 0.867 39.825 39.000 -0.071 0.000 1.034 127 F HN -0.007 nan 8.300 nan 0.000 0.552 128 K N 3.237 123.550 120.400 -0.145 0.000 2.113 128 K HA -0.208 4.112 4.320 0.001 0.000 0.208 128 K C 1.894 178.500 176.600 0.010 0.000 1.047 128 K CA 1.425 57.666 56.287 -0.077 0.000 0.928 128 K CB -0.162 32.247 32.500 -0.151 0.000 0.716 128 K HN 0.707 nan 8.250 nan 0.000 0.446 129 A N 0.628 123.489 122.820 0.068 0.000 2.239 129 A HA 0.013 4.333 4.320 0.001 0.000 0.209 129 A C 0.489 178.146 177.584 0.122 0.000 1.171 129 A CA 0.539 52.646 52.037 0.116 0.000 0.768 129 A CB 0.038 19.152 19.000 0.189 0.000 0.790 129 A HN 0.065 nan 8.150 nan 0.000 0.478 130 I N -0.495 120.154 120.570 0.131 0.000 2.466 130 I HA 0.303 4.473 4.170 0.001 0.000 0.289 130 I C 0.833 177.018 176.117 0.113 0.000 1.026 130 I CA -0.406 60.965 61.300 0.118 0.000 1.078 130 I CB 1.647 39.693 38.000 0.077 0.000 1.249 130 I HN 0.254 nan 8.210 nan 0.000 0.429 131 R N 2.949 123.517 120.500 0.113 0.000 2.075 131 R HA 0.041 4.382 4.340 0.001 0.000 0.226 131 R C 0.285 176.652 176.300 0.111 0.000 1.114 131 R CA 0.767 56.920 56.100 0.089 0.000 0.972 131 R CB 0.151 30.495 30.300 0.072 0.000 0.869 131 R HN 0.745 nan 8.270 nan 0.000 0.437 132 S N -0.482 115.318 115.700 0.167 0.000 2.537 132 S HA 0.553 5.024 4.470 0.001 0.000 0.271 132 S C -1.465 173.281 174.600 0.242 0.000 1.148 132 S CA -1.101 57.269 58.200 0.285 0.000 0.868 132 S CB 2.086 65.416 63.200 0.216 0.000 1.115 132 S HN 0.036 nan 8.310 nan 0.000 0.461 133 L N 1.318 122.680 121.223 0.231 0.000 2.482 133 L HA 0.864 5.205 4.340 0.001 0.000 0.263 133 L C -1.103 175.681 176.870 -0.144 0.000 0.957 133 L CA -0.355 54.412 54.840 -0.121 0.000 0.836 133 L CB 2.225 43.925 42.059 -0.598 0.000 1.324 133 L HN 1.084 nan 8.230 nan 0.000 0.406 134 R N 3.966 124.497 120.500 0.051 0.000 2.515 134 R HA 0.649 4.989 4.340 0.001 0.000 0.291 134 R C -2.022 174.388 176.300 0.182 0.000 1.046 134 R CA -0.672 55.547 56.100 0.199 0.000 0.914 134 R CB 1.453 31.859 30.300 0.177 0.000 1.191 134 R HN 0.658 nan 8.270 nan 0.000 0.435 135 L N 4.113 125.462 121.223 0.210 0.000 2.361 135 L HA 0.304 4.645 4.340 0.001 0.000 0.278 135 L C 0.368 177.158 176.870 -0.134 0.000 1.113 135 L CA 0.647 55.395 54.840 -0.153 0.000 0.849 135 L CB 1.084 43.056 42.059 -0.145 0.000 1.155 135 L HN 0.822 nan 8.230 nan 0.000 0.452 136 E N 2.273 122.283 120.200 -0.317 0.000 2.201 136 E HA 0.129 4.479 4.350 0.001 0.000 0.193 136 E C -0.290 176.109 176.600 -0.336 0.000 0.957 136 E CA 0.439 56.615 56.400 -0.372 0.000 0.858 136 E CB 0.421 29.576 29.700 -0.908 0.000 0.816 136 E HN 0.681 nan 8.360 nan 0.000 0.475 137 D N -0.993 119.193 120.400 -0.358 0.000 2.663 137 D HA 0.397 5.038 4.640 0.001 0.000 0.233 137 D C -1.431 174.857 176.300 -0.020 0.000 1.240 137 D CA -0.481 53.459 54.000 -0.101 0.000 0.774 137 D CB 1.667 42.457 40.800 -0.018 0.000 1.443 137 D HN -0.164 nan 8.370 nan 0.000 0.441 138 I N 1.662 122.187 120.570 -0.076 0.000 2.499 138 I HA 0.314 4.484 4.170 0.001 0.000 0.288 138 I C -0.148 175.679 176.117 -0.484 0.000 1.048 138 I CA -0.866 60.189 61.300 -0.408 0.000 1.062 138 I CB 2.064 39.578 38.000 -0.811 0.000 1.238 138 I HN 0.058 nan 8.210 nan 0.000 0.426 139 R N 6.348 126.445 120.500 -0.671 0.000 2.248 139 R HA 0.290 4.631 4.340 0.001 0.000 0.337 139 R C -1.373 174.608 176.300 -0.533 0.000 1.106 139 R CA -0.429 55.347 56.100 -0.539 0.000 0.959 139 R CB -0.045 29.846 30.300 -0.681 0.000 1.075 139 R HN 0.308 nan 8.270 nan 0.000 0.480 140 F N 6.649 126.400 119.950 -0.332 0.000 2.471 140 F HA 0.229 4.757 4.527 0.001 0.000 0.365 140 F C -1.239 174.390 175.800 -0.286 0.000 1.095 140 F CA -1.814 55.985 58.000 -0.335 0.000 1.174 140 F CB 0.555 39.303 39.000 -0.420 0.000 1.105 140 F HN 0.340 nan 8.300 nan 0.000 0.535 141 P HA 0.010 nan 4.420 nan 0.000 0.272 141 P C 0.883 178.173 177.300 -0.017 0.000 1.223 141 P CA -0.083 62.993 63.100 -0.040 0.000 0.784 141 P CB 1.474 33.169 31.700 -0.009 0.000 0.923 142 V N 2.514 122.413 119.914 -0.025 0.000 2.392 142 V HA -0.277 3.844 4.120 0.001 0.000 0.249 142 V C 2.628 178.742 176.094 0.032 0.000 1.059 142 V CA 2.757 65.052 62.300 -0.008 0.000 1.051 142 V CB -1.613 30.210 31.823 -0.000 0.000 0.658 142 V HN 0.689 nan 8.190 nan 0.000 0.455 143 A N -0.609 122.235 122.820 0.039 0.000 1.972 143 A HA -0.180 4.140 4.320 0.001 0.000 0.219 143 A C 2.122 179.756 177.584 0.084 0.000 1.169 143 A CA 1.983 54.053 52.037 0.055 0.000 0.635 143 A CB -0.396 18.635 19.000 0.052 0.000 0.810 143 A HN 0.458 nan 8.150 nan 0.000 0.446 144 L N -0.632 120.655 121.223 0.108 0.000 2.127 144 L HA 0.031 4.371 4.340 0.001 0.000 0.203 144 L C 2.331 179.363 176.870 0.271 0.000 1.080 144 L CA 1.366 56.314 54.840 0.181 0.000 0.768 144 L CB -0.386 41.792 42.059 0.199 0.000 0.924 144 L HN 0.118 nan 8.230 nan 0.000 0.444 145 V N 0.041 120.047 119.914 0.152 0.000 2.453 145 V HA -0.301 3.819 4.120 0.001 0.000 0.252 145 V C 2.416 178.649 176.094 0.232 0.000 1.068 145 V CA 1.641 64.013 62.300 0.121 0.000 1.070 145 V CB -0.795 31.014 31.823 -0.023 0.000 0.664 145 V HN 0.412 nan 8.190 nan 0.000 0.461 146 K N 0.240 120.737 120.400 0.160 0.000 2.486 146 K HA -0.030 4.290 4.320 0.001 0.000 0.194 146 K C 1.937 178.596 176.600 0.097 0.000 1.033 146 K CA 1.308 57.667 56.287 0.121 0.000 1.004 146 K CB -0.160 32.386 32.500 0.076 0.000 0.798 146 K HN 0.734 nan 8.250 nan 0.000 0.495 147 T N -1.945 112.667 114.554 0.098 0.000 3.107 147 T HA 0.129 4.479 4.350 0.001 0.000 0.249 147 T C 0.433 175.009 174.700 -0.208 0.000 1.096 147 T CA -0.209 61.845 62.100 -0.076 0.000 1.012 147 T CB -0.186 68.575 68.868 -0.179 0.000 0.977 147 T HN -0.177 nan 8.240 nan 0.000 0.527 148 F N 1.233 121.175 119.950 -0.014 0.000 2.470 148 F HA 0.502 5.030 4.527 0.001 0.000 0.329 148 F C 1.625 177.416 175.800 -0.015 0.000 1.072 148 F CA -1.267 56.719 58.000 -0.022 0.000 0.989 148 F CB 1.824 40.797 39.000 -0.046 0.000 1.193 148 F HN -0.119 nan 8.300 nan 0.000 0.481 149 Q N 1.868 121.765 119.800 0.163 0.000 2.049 149 Q HA 0.229 4.569 4.340 0.001 0.000 0.198 149 Q C 0.999 177.037 176.000 0.063 0.000 0.971 149 Q CA 1.246 57.094 55.803 0.076 0.000 0.833 149 Q CB -0.092 28.666 28.738 0.033 0.000 0.896 149 Q HN 1.001 nan 8.270 nan 0.000 0.434 150 G N 0.270 109.113 108.800 0.073 0.000 2.632 150 G HA2 -0.221 3.740 3.960 0.001 0.000 0.224 150 G HA3 -0.221 3.740 3.960 0.001 0.000 0.224 150 G C -2.555 172.314 174.900 -0.052 0.000 1.341 150 G CA -0.474 44.623 45.100 -0.005 0.000 0.880 150 G HN 0.311 nan 8.290 nan 0.000 0.566 151 P HA 0.178 nan 4.420 nan 0.000 0.261 151 P C -1.692 175.523 177.300 -0.142 0.000 1.173 151 P CA -0.269 62.767 63.100 -0.107 0.000 0.760 151 P CB 0.329 31.966 31.700 -0.104 0.000 0.783 152 P HA -0.201 nan 4.420 nan 0.000 0.217 152 P C 0.748 177.575 177.300 -0.789 0.000 1.151 152 P CA 1.931 64.775 63.100 -0.427 0.000 0.849 152 P CB 0.015 31.505 31.700 -0.351 0.000 0.787 153 H N -3.979 115.068 119.070 -0.039 0.000 1.855 153 H HA 0.331 4.887 4.556 0.001 0.000 0.178 153 H C 1.224 176.540 175.328 -0.020 0.000 0.923 153 H CA 0.948 56.981 56.048 -0.026 0.000 0.993 153 H CB 0.044 29.791 29.762 -0.024 0.000 1.078 153 H HN 0.099 nan 8.280 nan 0.000 0.349 154 G N 1.262 110.112 108.800 0.085 0.000 2.756 154 G HA2 -0.216 3.745 3.960 0.001 0.000 0.678 154 G HA3 -0.216 3.745 3.960 0.001 0.000 0.678 154 G C 0.842 175.784 174.900 0.070 0.000 1.349 154 G CA -0.020 45.102 45.100 0.036 0.000 0.847 154 G HN 0.213 nan 8.290 nan 0.000 0.548 155 I N 0.190 120.788 120.570 0.047 0.000 2.127 155 I HA -0.259 3.912 4.170 0.001 0.000 0.241 155 I C 2.931 179.098 176.117 0.083 0.000 1.075 155 I CA 2.429 63.768 61.300 0.065 0.000 1.334 155 I CB -0.277 37.749 38.000 0.044 0.000 1.040 155 I HN 0.759 nan 8.210 nan 0.000 0.405 156 Q N 1.063 120.910 119.800 0.079 0.000 2.050 156 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 156 Q C 2.358 178.423 176.000 0.109 0.000 0.980 156 Q CA 2.137 57.999 55.803 0.100 0.000 0.840 156 Q CB -0.030 28.757 28.738 0.082 0.000 0.898 156 Q HN 0.378 nan 8.270 nan 0.000 0.424 157 V N 1.400 121.372 119.914 0.098 0.000 2.427 157 V HA -0.239 3.881 4.120 0.001 0.000 0.248 157 V C 2.328 178.469 176.094 0.078 0.000 1.051 157 V CA 2.168 64.529 62.300 0.102 0.000 1.048 157 V CB -0.722 31.181 31.823 0.133 0.000 0.666 157 V HN 0.500 nan 8.190 nan 0.000 0.456 158 E N 0.406 120.655 120.200 0.082 0.000 2.051 158 E HA -0.244 4.107 4.350 0.001 0.000 0.192 158 E C 2.451 179.067 176.600 0.027 0.000 0.991 158 E CA 1.383 57.813 56.400 0.051 0.000 0.799 158 E CB -0.070 29.690 29.700 0.100 0.000 0.748 158 E HN 0.528 nan 8.360 nan 0.000 0.449 159 R N 0.371 120.887 120.500 0.027 0.000 2.096 159 R HA -0.113 4.228 4.340 0.001 0.000 0.235 159 R C 1.942 178.117 176.300 -0.209 0.000 1.127 159 R CA 1.405 57.445 56.100 -0.099 0.000 0.968 159 R CB -0.205 30.092 30.300 -0.006 0.000 0.861 159 R HN 0.277 nan 8.270 nan 0.000 0.440 160 D N 0.936 121.355 120.400 0.031 0.000 2.144 160 D HA -0.116 4.524 4.640 0.001 0.000 0.199 160 D C 1.981 178.295 176.300 0.023 0.000 0.984 160 D CA 0.969 55.034 54.000 0.109 0.000 0.834 160 D CB -0.094 40.797 40.800 0.152 0.000 0.955 160 D HN 0.184 nan 8.370 nan 0.000 0.465 161 L N -0.044 121.175 121.223 -0.007 0.000 2.141 161 L HA -0.050 4.290 4.340 0.001 0.000 0.209 161 L C 2.096 178.946 176.870 -0.033 0.000 1.094 161 L CA 0.642 55.468 54.840 -0.023 0.000 0.763 161 L CB -0.014 42.008 42.059 -0.060 0.000 0.908 161 L HN 0.018 nan 8.230 nan 0.000 0.437 162 L N -1.423 119.761 121.223 -0.064 0.000 2.616 162 L HA 0.151 4.492 4.340 0.001 0.000 0.229 162 L C 0.268 177.057 176.870 -0.135 0.000 1.110 162 L CA -0.158 54.644 54.840 -0.064 0.000 0.884 162 L CB 0.064 42.113 42.059 -0.017 0.000 1.115 162 L HN 0.267 nan 8.230 nan 0.000 0.481 163 N N 1.263 119.832 118.700 -0.218 0.000 2.740 163 N HA -0.166 4.575 4.740 0.001 0.000 0.248 163 N C -0.296 174.962 175.510 -0.421 0.000 1.062 163 N CA 0.892 53.774 53.050 -0.281 0.000 0.704 163 N CB -0.819 37.628 38.487 -0.067 0.000 0.968 163 N HN 0.172 nan 8.380 nan 0.000 0.547 164 K N 0.986 121.011 120.400 -0.625 0.000 2.389 164 K HA 0.435 4.755 4.320 0.001 0.000 0.261 164 K C -1.014 175.289 176.600 -0.495 0.000 1.014 164 K CA -0.183 55.860 56.287 -0.407 0.000 0.920 164 K CB 0.546 32.914 32.500 -0.220 0.000 1.149 164 K HN 0.091 nan 8.250 nan 0.000 0.444 165 Y N -0.110 120.200 120.300 0.017 0.000 2.512 165 Y HA 0.502 5.053 4.550 0.001 0.000 0.348 165 Y C 1.228 177.140 175.900 0.020 0.000 0.990 165 Y CA -1.012 57.101 58.100 0.022 0.000 1.033 165 Y CB 2.579 41.051 38.460 0.020 0.000 1.259 165 Y HN 0.600 nan 8.280 nan 0.000 0.461 166 G N 1.608 110.524 108.800 0.195 0.000 2.175 166 G HA2 -0.187 3.773 3.960 0.001 0.000 0.244 166 G HA3 -0.187 3.773 3.960 0.001 0.000 0.244 166 G C -0.229 174.723 174.900 0.086 0.000 0.982 166 G CA 0.098 45.269 45.100 0.119 0.000 0.641 166 G HN 0.865 nan 8.290 nan 0.000 0.527 167 R N -1.594 118.954 120.500 0.079 0.000 2.690 167 R HA 0.616 4.956 4.340 0.001 0.000 0.269 167 R C -3.432 172.902 176.300 0.057 0.000 1.037 167 R CA -1.931 54.207 56.100 0.063 0.000 0.877 167 R CB 0.407 30.737 30.300 0.050 0.000 1.255 167 R HN 0.013 nan 8.270 nan 0.000 0.467 168 P HA -0.020 nan 4.420 nan 0.000 0.266 168 P C -0.572 176.751 177.300 0.038 0.000 1.193 168 P CA 0.281 63.411 63.100 0.050 0.000 0.770 168 P CB 0.474 32.213 31.700 0.065 0.000 0.836 169 M N 1.928 121.551 119.600 0.038 0.000 2.291 169 M HA 0.334 4.815 4.480 0.001 0.000 0.324 169 M C -0.327 176.018 176.300 0.075 0.000 1.148 169 M CA -0.503 54.821 55.300 0.040 0.000 1.104 169 M CB 0.500 33.175 32.600 0.125 0.000 1.483 169 M HN 0.111 nan 8.290 nan 0.000 0.467 170 L N 1.138 122.391 121.223 0.050 0.000 2.356 170 L HA 0.760 5.100 4.340 0.001 0.000 0.277 170 L C 0.005 176.951 176.870 0.126 0.000 0.996 170 L CA 0.112 55.016 54.840 0.107 0.000 0.822 170 L CB 1.584 43.680 42.059 0.062 0.000 1.256 170 L HN 0.781 nan 8.230 nan 0.000 0.413 171 G N 1.443 110.340 108.800 0.162 0.000 3.042 171 G HA2 0.669 4.630 3.960 0.001 0.000 0.278 171 G HA3 0.669 4.630 3.960 0.001 0.000 0.278 171 G C -1.680 173.257 174.900 0.063 0.000 1.371 171 G CA -0.508 44.656 45.100 0.106 0.000 1.009 171 G HN 0.725 nan 8.290 nan 0.000 0.523 172 C N 0.104 119.386 119.300 -0.029 0.000 2.832 172 C HA 0.673 5.134 4.460 0.001 0.000 0.383 172 C C -0.227 174.725 174.990 -0.064 0.000 1.046 172 C CA -0.478 58.538 59.018 -0.004 0.000 1.242 172 C CB 0.396 28.146 27.740 0.017 0.000 1.693 172 C HN 0.804 nan 8.230 nan 0.000 0.497 173 T N 7.223 121.765 114.554 -0.019 0.000 2.780 173 T HA 0.390 4.740 4.350 0.001 0.000 0.294 173 T C 0.456 175.158 174.700 0.004 0.000 0.949 173 T CA -0.266 61.834 62.100 -0.001 0.000 1.074 173 T CB 0.345 69.248 68.868 0.059 0.000 0.910 173 T HN 0.575 nan 8.240 nan 0.000 0.501 174 I N 4.107 124.665 120.570 -0.020 0.000 2.588 174 I HA 0.216 4.386 4.170 0.001 0.000 0.283 174 I C 0.688 176.805 176.117 0.000 0.000 1.119 174 I CA 0.022 61.265 61.300 -0.095 0.000 1.419 174 I CB -0.059 37.690 38.000 -0.420 0.000 1.394 174 I HN 0.449 nan 8.210 nan 0.000 0.562 175 K N 6.703 127.104 120.400 0.001 0.000 2.395 175 K HA 0.570 4.891 4.320 0.001 0.000 0.247 175 K C -2.398 174.225 176.600 0.038 0.000 0.973 175 K CA -1.645 54.669 56.287 0.045 0.000 0.828 175 K CB 1.447 33.979 32.500 0.053 0.000 1.272 175 K HN 0.303 nan 8.250 nan 0.000 0.439 176 P HA 0.093 nan 4.420 nan 0.000 0.269 176 P C 0.262 177.609 177.300 0.078 0.000 1.217 176 P CA -0.076 63.051 63.100 0.045 0.000 0.783 176 P CB 0.774 32.480 31.700 0.009 0.000 0.898 177 K N 0.264 120.704 120.400 0.067 0.000 2.059 177 K HA -0.099 4.222 4.320 0.001 0.000 0.212 177 K C 0.755 177.422 176.600 0.111 0.000 1.050 177 K CA 1.291 57.633 56.287 0.093 0.000 0.927 177 K CB -0.290 32.245 32.500 0.058 0.000 0.714 177 K HN 0.412 nan 8.250 nan 0.000 0.447 178 L N -2.344 118.883 121.223 0.006 0.000 2.376 178 L HA 0.415 4.755 4.340 0.001 0.000 0.258 178 L C 0.649 177.259 176.870 -0.432 0.000 1.013 178 L CA -0.358 54.389 54.840 -0.155 0.000 0.822 178 L CB 2.393 44.365 42.059 -0.145 0.000 1.388 178 L HN 0.385 nan 8.230 nan 0.000 0.413 179 G N 1.090 109.263 108.800 -1.044 0.000 2.481 179 G HA2 -0.160 3.801 3.960 0.001 0.000 0.200 179 G HA3 -0.160 3.801 3.960 0.001 0.000 0.200 179 G C -0.116 174.613 174.900 -0.285 0.000 1.012 179 G CA -0.630 44.015 45.100 -0.759 0.000 0.676 179 G HN 0.305 nan 8.290 nan 0.000 0.488 180 L N 2.864 124.081 121.223 -0.011 0.000 2.397 180 L HA 0.506 4.846 4.340 0.001 0.000 0.271 180 L C 1.590 178.630 176.870 0.283 0.000 1.148 180 L CA 0.076 55.018 54.840 0.170 0.000 0.825 180 L CB 1.275 43.502 42.059 0.280 0.000 1.117 180 L HN 0.534 nan 8.230 nan 0.000 0.456 181 S N 1.855 117.660 115.700 0.176 0.000 2.617 181 S HA 0.258 4.728 4.470 0.001 0.000 0.259 181 S C 1.103 175.740 174.600 0.062 0.000 1.301 181 S CA -0.151 58.116 58.200 0.112 0.000 0.984 181 S CB 1.349 64.558 63.200 0.015 0.000 0.954 181 S HN 0.692 nan 8.310 nan 0.000 0.572 182 A N 0.980 123.767 122.820 -0.056 0.000 1.933 182 A HA -0.077 4.244 4.320 0.001 0.000 0.218 182 A C 2.116 179.520 177.584 -0.300 0.000 1.175 182 A CA 1.958 53.940 52.037 -0.091 0.000 0.628 182 A CB -1.003 17.977 19.000 -0.034 0.000 0.814 182 A HN 0.924 nan 8.150 nan 0.000 0.444 183 K N 0.243 120.248 120.400 -0.657 0.000 2.057 183 K HA -0.106 4.215 4.320 0.001 0.000 0.206 183 K C 1.613 178.099 176.600 -0.190 0.000 1.050 183 K CA 1.821 57.684 56.287 -0.707 0.000 0.935 183 K CB -0.268 31.845 32.500 -0.644 0.000 0.715 183 K HN 0.387 nan 8.250 nan 0.000 0.439 184 N N -0.432 118.222 118.700 -0.078 0.000 2.244 184 N HA -0.141 4.599 4.740 0.001 0.000 0.183 184 N C 1.473 177.023 175.510 0.066 0.000 1.016 184 N CA 0.921 53.979 53.050 0.014 0.000 0.866 184 N CB -0.336 38.171 38.487 0.034 0.000 0.980 184 N HN 0.243 nan 8.380 nan 0.000 0.430 185 Y N 1.305 121.601 120.300 -0.007 0.000 2.097 185 Y HA -0.123 4.427 4.550 0.001 0.000 0.282 185 Y C 2.427 178.351 175.900 0.040 0.000 1.152 185 Y CA 1.919 60.042 58.100 0.040 0.000 1.136 185 Y CB -0.663 37.835 38.460 0.063 0.000 0.975 185 Y HN 0.069 nan 8.280 nan 0.000 0.498 186 G N -0.683 108.220 108.800 0.172 0.000 2.422 186 G HA2 -0.250 3.711 3.960 0.001 0.000 0.218 186 G HA3 -0.250 3.711 3.960 0.001 0.000 0.218 186 G C 1.778 176.749 174.900 0.118 0.000 1.140 186 G CA 0.679 45.862 45.100 0.138 0.000 0.775 186 G HN 0.318 nan 8.290 nan 0.000 0.545 187 R N 0.522 121.080 120.500 0.096 0.000 2.080 187 R HA -0.063 4.277 4.340 0.001 0.000 0.236 187 R C 2.825 179.179 176.300 0.089 0.000 1.137 187 R CA 1.625 57.796 56.100 0.118 0.000 0.943 187 R CB -0.413 29.931 30.300 0.074 0.000 0.846 187 R HN 0.278 nan 8.270 nan 0.000 0.431 188 A N 0.051 122.876 122.820 0.008 0.000 1.969 188 A HA -0.071 4.249 4.320 0.001 0.000 0.218 188 A C 2.225 179.783 177.584 -0.045 0.000 1.169 188 A CA 1.337 53.349 52.037 -0.041 0.000 0.635 188 A CB -0.277 18.655 19.000 -0.113 0.000 0.810 188 A HN 0.252 nan 8.150 nan 0.000 0.445 189 V N -1.368 118.530 119.914 -0.026 0.000 2.379 189 V HA -0.224 3.896 4.120 0.001 0.000 0.245 189 V C 2.334 178.467 176.094 0.064 0.000 1.044 189 V CA 1.925 64.237 62.300 0.020 0.000 1.036 189 V CB -0.937 30.901 31.823 0.026 0.000 0.664 189 V HN 0.745 nan 8.190 nan 0.000 0.453 190 Y N 1.537 121.836 120.300 -0.001 0.000 2.181 190 Y HA -0.186 4.365 4.550 0.001 0.000 0.288 190 Y C 2.503 178.406 175.900 0.006 0.000 1.146 190 Y CA 1.770 59.875 58.100 0.008 0.000 1.164 190 Y CB -0.272 38.200 38.460 0.020 0.000 0.982 190 Y HN 0.260 nan 8.280 nan 0.000 0.515 191 E N -0.665 119.335 120.200 -0.333 0.000 2.150 191 E HA -0.172 4.178 4.350 0.001 0.000 0.193 191 E C 2.467 178.918 176.600 -0.248 0.000 0.985 191 E CA 1.211 57.376 56.400 -0.391 0.000 0.814 191 E CB -0.783 28.816 29.700 -0.168 0.000 0.752 191 E HN 0.533 nan 8.360 nan 0.000 0.466 192 C N 0.507 119.721 119.300 -0.145 0.000 2.476 192 C HA -0.019 4.441 4.460 0.001 0.000 0.278 192 C C 2.823 177.752 174.990 -0.101 0.000 1.274 192 C CA 0.269 59.230 59.018 -0.095 0.000 1.713 192 C CB -1.019 26.691 27.740 -0.050 0.000 2.039 192 C HN 0.354 nan 8.230 nan 0.000 0.484 193 L N 1.236 122.406 121.223 -0.089 0.000 2.093 193 L HA -0.123 4.217 4.340 0.001 0.000 0.208 193 L C 2.885 179.702 176.870 -0.087 0.000 1.085 193 L CA 1.573 56.376 54.840 -0.062 0.000 0.755 193 L CB -0.711 41.349 42.059 0.001 0.000 0.904 193 L HN 0.476 nan 8.230 nan 0.000 0.435 194 R N 0.425 120.824 120.500 -0.170 0.000 2.189 194 R HA -0.064 4.277 4.340 0.001 0.000 0.223 194 R C 1.945 178.170 176.300 -0.124 0.000 1.092 194 R CA 1.302 57.304 56.100 -0.163 0.000 0.989 194 R CB -0.771 29.308 30.300 -0.367 0.000 0.876 194 R HN 0.237 nan 8.270 nan 0.000 0.457 195 G N -0.472 108.246 108.800 -0.136 0.000 2.712 195 G HA2 0.219 4.180 3.960 0.001 0.000 0.212 195 G HA3 0.219 4.180 3.960 0.001 0.000 0.212 195 G C 0.933 175.784 174.900 -0.082 0.000 1.142 195 G CA 0.320 45.357 45.100 -0.106 0.000 0.789 195 G HN 0.605 nan 8.290 nan 0.000 0.535 196 G N -0.896 107.859 108.800 -0.076 0.000 2.227 196 G HA2 -0.172 3.789 3.960 0.001 0.000 0.168 196 G HA3 -0.172 3.789 3.960 0.001 0.000 0.168 196 G C 0.252 175.106 174.900 -0.076 0.000 1.006 196 G CA -0.304 44.757 45.100 -0.066 0.000 0.684 196 G HN 0.332 nan 8.290 nan 0.000 0.489 197 L N 1.221 122.397 121.223 -0.079 0.000 2.417 197 L HA 0.346 4.687 4.340 0.001 0.000 0.268 197 L C 1.134 177.921 176.870 -0.139 0.000 1.158 197 L CA -0.650 54.142 54.840 -0.080 0.000 0.819 197 L CB 0.589 42.621 42.059 -0.046 0.000 1.112 197 L HN 0.006 nan 8.230 nan 0.000 0.458 198 D N 1.452 121.711 120.400 -0.235 0.000 2.162 198 D HA 0.014 4.655 4.640 0.001 0.000 0.203 198 D C -0.115 175.830 176.300 -0.591 0.000 0.967 198 D CA 1.565 55.257 54.000 -0.513 0.000 0.840 198 D CB 0.257 40.570 40.800 -0.811 0.000 0.972 198 D HN 0.142 nan 8.370 nan 0.000 0.482 199 F N -0.024 119.883 119.950 -0.073 0.000 2.576 199 F HA 0.315 4.842 4.527 0.001 0.000 0.313 199 F C 0.647 176.281 175.800 -0.277 0.000 1.078 199 F CA -1.080 56.803 58.000 -0.196 0.000 0.921 199 F CB 1.721 40.544 39.000 -0.296 0.000 1.232 199 F HN -0.349 nan 8.300 nan 0.000 0.459 200 T N -1.010 113.461 114.554 -0.137 0.000 2.927 200 T HA 0.861 5.211 4.350 0.001 0.000 0.286 200 T C -1.062 173.139 174.700 -0.832 0.000 1.040 200 T CA -1.028 60.910 62.100 -0.271 0.000 1.010 200 T CB 2.488 71.378 68.868 0.036 0.000 1.177 200 T HN 0.781 nan 8.240 nan 0.000 0.546 201 K N -0.319 119.653 120.400 -0.714 0.000 2.562 201 K HA 0.467 4.787 4.320 0.001 0.000 0.267 201 K C -1.913 174.583 176.600 -0.175 0.000 0.938 201 K CA -0.910 54.912 56.287 -0.775 0.000 0.840 201 K CB 1.350 33.517 32.500 -0.553 0.000 1.390 201 K HN 0.355 nan 8.250 nan 0.000 0.428 202 D N 1.900 122.334 120.400 0.056 0.000 2.443 202 D HA 0.026 4.667 4.640 0.001 0.000 0.239 202 D C -0.326 176.086 176.300 0.186 0.000 1.136 202 D CA 0.519 54.714 54.000 0.324 0.000 0.879 202 D CB 0.665 41.636 40.800 0.285 0.000 1.195 202 D HN 0.431 nan 8.370 nan 0.000 0.443 203 D N 0.805 121.329 120.400 0.206 0.000 2.368 203 D HA -0.060 4.581 4.640 0.001 0.000 0.240 203 D C 1.485 177.769 176.300 -0.027 0.000 1.169 203 D CA -0.210 53.841 54.000 0.085 0.000 0.906 203 D CB 0.738 41.599 40.800 0.101 0.000 1.187 203 D HN 0.380 nan 8.370 nan 0.000 0.435 204 E N 1.597 121.656 120.200 -0.235 0.000 2.265 204 E HA -0.220 4.131 4.350 0.001 0.000 0.196 204 E C 0.448 176.954 176.600 -0.158 0.000 0.996 204 E CA 0.899 57.066 56.400 -0.389 0.000 0.832 204 E CB -0.288 28.886 29.700 -0.876 0.000 0.756 204 E HN 0.438 nan 8.360 nan 0.000 0.491 205 N N 0.928 119.589 118.700 -0.065 0.000 2.230 205 N HA 0.057 4.797 4.740 0.001 0.000 0.202 205 N C 0.137 175.681 175.510 0.056 0.000 1.119 205 N CA -0.254 52.793 53.050 -0.006 0.000 0.851 205 N CB 0.147 38.640 38.487 0.009 0.000 0.990 205 N HN 0.038 nan 8.380 nan 0.000 0.497 206 I N 1.720 122.333 120.570 0.073 0.000 2.363 206 I HA 0.157 4.327 4.170 0.001 0.000 0.292 206 I C 0.267 176.426 176.117 0.069 0.000 1.075 206 I CA 0.155 61.513 61.300 0.097 0.000 1.333 206 I CB -0.213 37.849 38.000 0.104 0.000 1.415 206 I HN 0.214 nan 8.210 nan 0.000 0.502 207 N N 3.342 122.069 118.700 0.045 0.000 3.420 207 N HA 0.141 4.881 4.740 0.001 0.000 0.211 207 N C -0.269 175.271 175.510 0.050 0.000 1.201 207 N CA -0.250 52.823 53.050 0.038 0.000 1.134 207 N CB 0.673 39.157 38.487 -0.005 0.000 1.366 207 N HN 0.425 nan 8.380 nan 0.000 0.606 208 S N 0.307 116.008 115.700 0.002 0.000 2.689 208 S HA 0.431 4.902 4.470 0.001 0.000 0.274 208 S C -1.908 172.623 174.600 -0.114 0.000 1.176 208 S CA -0.414 57.788 58.200 0.004 0.000 1.014 208 S CB 1.234 64.538 63.200 0.174 0.000 1.071 208 S HN 0.242 nan 8.310 nan 0.000 0.478 209 Q N 3.387 123.006 119.800 -0.302 0.000 2.495 209 Q HA 0.504 4.845 4.340 0.001 0.000 0.287 209 Q C -2.072 173.650 176.000 -0.464 0.000 1.078 209 Q CA -1.853 53.706 55.803 -0.406 0.000 0.793 209 Q CB 1.738 30.099 28.738 -0.630 0.000 1.459 209 Q HN 0.272 nan 8.270 nan 0.000 0.422 210 P HA -0.198 nan 4.420 nan 0.000 0.216 210 P C 0.587 177.795 177.300 -0.153 0.000 1.154 210 P CA 1.489 64.507 63.100 -0.137 0.000 0.865 210 P CB 0.028 31.729 31.700 0.002 0.000 0.789 211 F N -1.690 118.259 119.950 -0.002 0.000 2.661 211 F HA 0.168 4.696 4.527 0.001 0.000 0.298 211 F C 0.750 176.542 175.800 -0.014 0.000 1.137 211 F CA 0.159 58.156 58.000 -0.004 0.000 1.454 211 F CB -0.598 38.405 39.000 0.005 0.000 1.103 211 F HN -0.103 nan 8.300 nan 0.000 0.577 212 Q N 1.649 121.097 119.800 -0.587 0.000 2.643 212 Q HA 0.198 4.539 4.340 0.001 0.000 0.225 212 Q C -1.166 174.634 176.000 -0.333 0.000 0.786 212 Q CA -0.502 55.101 55.803 -0.333 0.000 0.953 212 Q CB 1.060 29.683 28.738 -0.191 0.000 1.517 212 Q HN 0.254 nan 8.270 nan 0.000 0.457 213 R N 2.719 123.092 120.500 -0.212 0.000 2.490 213 R HA 0.164 4.504 4.340 0.001 0.000 0.278 213 R C 1.359 177.549 176.300 -0.182 0.000 1.069 213 R CA -0.163 55.826 56.100 -0.185 0.000 1.080 213 R CB 0.513 30.683 30.300 -0.217 0.000 1.030 213 R HN 0.724 nan 8.270 nan 0.000 0.491 214 W N 3.501 124.694 121.300 -0.178 0.000 2.363 214 W HA -0.107 4.553 4.660 0.001 0.000 0.296 214 W C 1.085 177.457 176.519 -0.245 0.000 1.212 214 W CA 0.597 57.825 57.345 -0.196 0.000 1.260 214 W CB -0.501 28.772 29.460 -0.310 0.000 1.131 214 W HN 0.558 nan 8.180 nan 0.000 0.530 215 R N 0.887 120.532 120.500 -1.425 0.000 2.115 215 R HA -0.123 4.217 4.340 0.001 0.000 0.230 215 R C 1.777 177.880 176.300 -0.328 0.000 1.111 215 R CA 1.803 57.159 56.100 -1.241 0.000 0.976 215 R CB -0.273 29.072 30.300 -1.592 0.000 0.870 215 R HN 0.023 nan 8.270 nan 0.000 0.445 216 D N -0.172 120.094 120.400 -0.224 0.000 2.117 216 D HA -0.184 4.456 4.640 0.001 0.000 0.198 216 D C 1.849 178.336 176.300 0.311 0.000 0.982 216 D CA 0.884 54.937 54.000 0.089 0.000 0.828 216 D CB -0.200 40.648 40.800 0.080 0.000 0.967 216 D HN 0.207 nan 8.370 nan 0.000 0.464 217 R N 0.012 120.652 120.500 0.233 0.000 2.081 217 R HA -0.134 4.206 4.340 0.001 0.000 0.235 217 R C 2.171 178.721 176.300 0.418 0.000 1.131 217 R CA 0.904 57.184 56.100 0.299 0.000 0.960 217 R CB -0.361 30.060 30.300 0.201 0.000 0.856 217 R HN 0.057 nan 8.270 nan 0.000 0.436 218 F N 1.022 121.083 119.950 0.185 0.000 2.126 218 F HA -0.190 4.338 4.527 0.001 0.000 0.299 218 F C 2.224 178.083 175.800 0.098 0.000 1.096 218 F CA 0.880 58.993 58.000 0.188 0.000 1.255 218 F CB -0.845 38.382 39.000 0.378 0.000 0.997 218 F HN 0.086 nan 8.300 nan 0.000 0.479 219 L N -1.246 120.176 121.223 0.331 0.000 2.027 219 L HA -0.150 4.191 4.340 0.001 0.000 0.206 219 L C 2.138 178.977 176.870 -0.052 0.000 1.074 219 L CA 1.752 56.647 54.840 0.091 0.000 0.745 219 L CB -0.846 41.202 42.059 -0.018 0.000 0.898 219 L HN -0.014 nan 8.230 nan 0.000 0.433 220 F N -1.821 118.175 119.950 0.077 0.000 2.259 220 F HA -0.096 4.431 4.527 0.001 0.000 0.298 220 F C 2.325 178.128 175.800 0.005 0.000 1.088 220 F CA 1.110 59.137 58.000 0.044 0.000 1.358 220 F CB -0.646 38.393 39.000 0.065 0.000 1.040 220 F HN -0.167 nan 8.300 nan 0.000 0.505 221 V N -0.185 119.820 119.914 0.153 0.000 2.427 221 V HA -0.281 3.839 4.120 0.001 0.000 0.248 221 V C 2.553 178.580 176.094 -0.112 0.000 1.051 221 V CA 1.685 63.963 62.300 -0.036 0.000 1.048 221 V CB -1.152 30.535 31.823 -0.227 0.000 0.666 221 V HN 0.342 nan 8.190 nan 0.000 0.456 222 A N -0.096 122.645 122.820 -0.131 0.000 1.940 222 A HA -0.322 3.999 4.320 0.001 0.000 0.219 222 A C 2.023 179.338 177.584 -0.448 0.000 1.176 222 A CA 2.329 54.190 52.037 -0.293 0.000 0.631 222 A CB -0.690 18.191 19.000 -0.198 0.000 0.814 222 A HN 0.607 nan 8.150 nan 0.000 0.446 223 D N -0.556 119.746 120.400 -0.164 0.000 2.117 223 D HA 0.005 4.646 4.640 0.001 0.000 0.198 223 D C 2.050 178.317 176.300 -0.054 0.000 0.982 223 D CA 1.429 55.398 54.000 -0.052 0.000 0.828 223 D CB -0.158 40.640 40.800 -0.003 0.000 0.967 223 D HN 0.353 nan 8.370 nan 0.000 0.464 224 A N -0.076 122.728 122.820 -0.026 0.000 1.969 224 A HA -0.089 4.231 4.320 0.001 0.000 0.218 224 A C 2.288 179.908 177.584 0.061 0.000 1.169 224 A CA 0.861 52.926 52.037 0.047 0.000 0.635 224 A CB -0.663 18.404 19.000 0.112 0.000 0.810 224 A HN 0.356 nan 8.150 nan 0.000 0.445 225 I N -1.253 119.283 120.570 -0.057 0.000 2.252 225 I HA -0.250 3.921 4.170 0.001 0.000 0.245 225 I C 2.362 178.482 176.117 0.004 0.000 1.102 225 I CA 1.502 62.774 61.300 -0.048 0.000 1.385 225 I CB -0.511 37.410 38.000 -0.132 0.000 1.064 225 I HN 0.468 nan 8.210 nan 0.000 0.414 226 H N 0.211 119.302 119.070 0.034 0.000 2.353 226 H HA -0.192 4.365 4.556 0.001 0.000 0.300 226 H C 2.293 177.634 175.328 0.020 0.000 1.090 226 H CA 1.390 57.449 56.048 0.017 0.000 1.327 226 H CB 0.052 29.811 29.762 -0.004 0.000 1.383 226 H HN 0.198 nan 8.280 nan 0.000 0.508 227 K N 0.882 121.353 120.400 0.119 0.000 2.001 227 K HA -0.143 4.178 4.320 0.001 0.000 0.208 227 K C 2.492 179.183 176.600 0.153 0.000 1.048 227 K CA 1.581 57.894 56.287 0.042 0.000 0.932 227 K CB 0.010 32.399 32.500 -0.186 0.000 0.715 227 K HN 0.301 nan 8.250 nan 0.000 0.437 228 S N 0.187 116.043 115.700 0.261 0.000 2.423 228 S HA -0.204 4.267 4.470 0.001 0.000 0.231 228 S C 2.067 176.750 174.600 0.138 0.000 1.014 228 S CA 1.156 59.525 58.200 0.282 0.000 0.965 228 S CB -0.191 63.158 63.200 0.247 0.000 0.785 228 S HN 0.469 nan 8.310 nan 0.000 0.495 229 Q N 1.133 121.000 119.800 0.113 0.000 2.137 229 Q HA 0.135 4.475 4.340 0.001 0.000 0.198 229 Q C 2.227 178.269 176.000 0.069 0.000 0.960 229 Q CA 1.034 56.883 55.803 0.077 0.000 0.847 229 Q CB -0.509 28.279 28.738 0.084 0.000 0.915 229 Q HN 0.702 nan 8.270 nan 0.000 0.448 230 A N 0.605 123.473 122.820 0.080 0.000 2.015 230 A HA -0.180 4.141 4.320 0.001 0.000 0.219 230 A C 1.695 179.313 177.584 0.056 0.000 1.163 230 A CA 1.440 53.511 52.037 0.057 0.000 0.646 230 A CB -0.316 18.715 19.000 0.051 0.000 0.806 230 A HN 0.490 nan 8.150 nan 0.000 0.448 231 E N -0.939 119.308 120.200 0.078 0.000 2.122 231 E HA -0.093 4.258 4.350 0.001 0.000 0.190 231 E C 2.127 178.758 176.600 0.052 0.000 0.977 231 E CA 1.482 57.928 56.400 0.077 0.000 0.820 231 E CB -0.065 29.711 29.700 0.127 0.000 0.770 231 E HN 0.816 nan 8.360 nan 0.000 0.462 232 T N -3.527 111.054 114.554 0.045 0.000 3.040 232 T HA 0.214 4.565 4.350 0.001 0.000 0.252 232 T C 1.616 176.325 174.700 0.015 0.000 1.064 232 T CA 0.516 62.629 62.100 0.023 0.000 1.110 232 T CB 0.635 69.509 68.868 0.009 0.000 0.921 232 T HN 0.244 nan 8.240 nan 0.000 0.480 233 G N 1.285 110.097 108.800 0.019 0.000 2.148 233 G HA2 -0.209 3.752 3.960 0.001 0.000 0.254 233 G HA3 -0.209 3.752 3.960 0.001 0.000 0.254 233 G C -0.305 174.598 174.900 0.004 0.000 0.981 233 G CA 0.203 45.312 45.100 0.013 0.000 0.670 233 G HN 0.679 nan 8.290 nan 0.000 0.528 234 E N -0.206 119.991 120.200 -0.004 0.000 2.238 234 E HA 0.534 4.885 4.350 0.001 0.000 0.267 234 E C 0.393 176.977 176.600 -0.026 0.000 0.887 234 E CA -1.300 55.086 56.400 -0.023 0.000 0.769 234 E CB 1.529 31.203 29.700 -0.043 0.000 1.187 234 E HN 0.059 nan 8.360 nan 0.000 0.416 235 I N 3.017 123.565 120.570 -0.037 0.000 2.741 235 I HA -0.063 4.107 4.170 0.001 0.000 0.288 235 I C 0.323 176.403 176.117 -0.062 0.000 1.192 235 I CA 0.693 61.975 61.300 -0.030 0.000 1.426 235 I CB -0.575 37.405 38.000 -0.033 0.000 1.367 235 I HN 0.337 nan 8.210 nan 0.000 0.563 236 K N 4.677 125.068 120.400 -0.014 0.000 2.281 236 K HA 0.816 5.137 4.320 0.001 0.000 0.242 236 K C 0.003 176.650 176.600 0.078 0.000 0.971 236 K CA -0.686 55.592 56.287 -0.016 0.000 0.834 236 K CB 2.503 35.012 32.500 0.015 0.000 1.181 236 K HN 0.803 nan 8.250 nan 0.000 0.435 237 G N 0.293 109.195 108.800 0.170 0.000 2.704 237 G HA2 0.380 4.341 3.960 0.001 0.000 0.293 237 G HA3 0.380 4.341 3.960 0.001 0.000 0.293 237 G C -1.919 173.172 174.900 0.318 0.000 1.421 237 G CA -0.277 45.020 45.100 0.328 0.000 0.870 237 G HN 0.545 nan 8.290 nan 0.000 0.492 238 H N 0.673 119.809 119.070 0.109 0.000 3.018 238 H HA 0.303 4.859 4.556 0.001 0.000 0.334 238 H C -1.071 174.271 175.328 0.023 0.000 0.983 238 H CA -0.596 55.437 56.048 -0.026 0.000 1.363 238 H CB 1.206 30.956 29.762 -0.022 0.000 1.668 238 H HN 0.386 nan 8.280 nan 0.000 0.513 239 Y N 5.714 125.821 120.300 -0.322 0.000 2.730 239 Y HA 0.093 4.644 4.550 0.001 0.000 0.357 239 Y C 0.729 176.584 175.900 -0.076 0.000 1.167 239 Y CA -0.563 57.409 58.100 -0.213 0.000 1.579 239 Y CB -0.769 37.504 38.460 -0.313 0.000 1.262 239 Y HN 0.334 nan 8.280 nan 0.000 0.510 240 L N 3.672 124.979 121.223 0.141 0.000 2.361 240 L HA 0.113 4.453 4.340 0.001 0.000 0.278 240 L C 0.794 177.725 176.870 0.102 0.000 1.113 240 L CA 0.140 54.980 54.840 0.000 0.000 0.849 240 L CB 0.260 41.950 42.059 -0.615 0.000 1.155 240 L HN 0.619 nan 8.230 nan 0.000 0.452 241 N N 2.246 121.073 118.700 0.210 0.000 2.431 241 N HA 0.117 4.857 4.740 0.001 0.000 0.265 241 N C 0.726 176.396 175.510 0.266 0.000 1.184 241 N CA -0.408 52.772 53.050 0.217 0.000 0.943 241 N CB 0.930 39.523 38.487 0.176 0.000 1.080 241 N HN 0.532 nan 8.380 nan 0.000 0.477 242 V N 0.428 120.455 119.914 0.188 0.000 3.483 242 V HA 0.175 4.295 4.120 0.001 0.000 0.301 242 V C 0.611 176.715 176.094 0.016 0.000 1.389 242 V CA -0.264 62.079 62.300 0.072 0.000 1.101 242 V CB -0.157 31.658 31.823 -0.013 0.000 0.971 242 V HN 0.403 nan 8.190 nan 0.000 0.434 243 T N 3.135 117.771 114.554 0.136 0.000 2.908 243 T HA 0.549 4.900 4.350 0.001 0.000 0.301 243 T C 0.173 174.868 174.700 -0.009 0.000 1.019 243 T CA 1.126 63.308 62.100 0.137 0.000 1.152 243 T CB 0.672 69.564 68.868 0.040 0.000 0.966 243 T HN 1.083 nan 8.240 nan 0.000 0.540 244 A N 4.727 127.533 122.820 -0.024 0.000 2.602 244 A HA 0.751 5.071 4.320 0.001 0.000 0.290 244 A C -1.818 175.726 177.584 -0.066 0.000 1.114 244 A CA -1.278 50.701 52.037 -0.097 0.000 0.683 244 A CB 0.704 19.595 19.000 -0.181 0.000 1.281 244 A HN 0.534 nan 8.150 nan 0.000 0.416 245 P HA 0.018 nan 4.420 nan 0.000 0.219 245 P C 0.596 177.867 177.300 -0.048 0.000 1.150 245 P CA 1.979 65.047 63.100 -0.054 0.000 0.814 245 P CB -0.054 31.614 31.700 -0.053 0.000 0.787 246 T N -4.894 109.622 114.554 -0.064 0.000 2.864 246 T HA 0.321 4.671 4.350 0.001 0.000 0.299 246 T C 1.049 175.704 174.700 -0.074 0.000 1.166 246 T CA -0.673 61.393 62.100 -0.056 0.000 1.007 246 T CB 1.046 69.881 68.868 -0.055 0.000 1.219 246 T HN -0.087 nan 8.240 nan 0.000 0.506 247 C N 0.801 120.064 119.300 -0.061 0.000 2.398 247 C HA -0.061 4.400 4.460 0.001 0.000 0.276 247 C C 2.643 177.565 174.990 -0.114 0.000 1.222 247 C CA 1.171 60.140 59.018 -0.080 0.000 1.746 247 C CB -1.416 26.292 27.740 -0.052 0.000 2.039 247 C HN 1.026 nan 8.230 nan 0.000 0.470 248 E N 0.917 121.061 120.200 -0.093 0.000 2.097 248 E HA -0.219 4.131 4.350 0.001 0.000 0.196 248 E C 2.023 178.536 176.600 -0.144 0.000 1.000 248 E CA 1.556 57.896 56.400 -0.099 0.000 0.804 248 E CB -0.330 29.329 29.700 -0.068 0.000 0.740 248 E HN 0.624 nan 8.360 nan 0.000 0.454 249 E N 0.053 120.158 120.200 -0.159 0.000 2.158 249 E HA -0.050 4.301 4.350 0.001 0.000 0.191 249 E C 1.852 178.252 176.600 -0.335 0.000 0.982 249 E CA 0.760 57.024 56.400 -0.227 0.000 0.823 249 E CB -0.110 29.474 29.700 -0.194 0.000 0.766 249 E HN 0.302 nan 8.360 nan 0.000 0.468 250 M N -0.659 118.778 119.600 -0.272 0.000 2.132 250 M HA -0.151 4.330 4.480 0.001 0.000 0.263 250 M C 1.475 177.546 176.300 -0.382 0.000 1.065 250 M CA 1.282 56.399 55.300 -0.304 0.000 1.122 250 M CB -0.017 32.444 32.600 -0.233 0.000 1.365 250 M HN 0.153 nan 8.290 nan 0.000 0.411 251 M N 0.418 119.808 119.600 -0.350 0.000 2.132 251 M HA -0.167 4.313 4.480 0.001 0.000 0.263 251 M C 2.104 178.179 176.300 -0.375 0.000 1.065 251 M CA 1.572 56.615 55.300 -0.429 0.000 1.122 251 M CB -1.328 31.099 32.600 -0.288 0.000 1.365 251 M HN 0.332 nan 8.290 nan 0.000 0.411 252 K N 0.335 120.571 120.400 -0.274 0.000 2.020 252 K HA -0.214 4.107 4.320 0.001 0.000 0.212 252 K C 2.081 178.529 176.600 -0.253 0.000 1.050 252 K CA 1.760 57.930 56.287 -0.194 0.000 0.929 252 K CB -0.017 32.376 32.500 -0.178 0.000 0.714 252 K HN 0.270 nan 8.250 nan 0.000 0.443 253 R N -0.236 119.914 120.500 -0.583 0.000 2.075 253 R HA -0.082 4.258 4.340 0.001 0.000 0.232 253 R C 2.433 178.682 176.300 -0.084 0.000 1.126 253 R CA 1.217 56.892 56.100 -0.708 0.000 0.963 253 R CB -0.376 29.343 30.300 -0.968 0.000 0.858 253 R HN 0.259 nan 8.270 nan 0.000 0.435 254 A N 0.986 123.639 122.820 -0.278 0.000 1.933 254 A HA -0.219 4.101 4.320 0.001 0.000 0.218 254 A C 1.974 179.416 177.584 -0.237 0.000 1.175 254 A CA 1.585 53.375 52.037 -0.411 0.000 0.628 254 A CB -0.297 18.039 19.000 -1.107 0.000 0.814 254 A HN 0.247 nan 8.150 nan 0.000 0.444 255 E N -1.342 118.773 120.200 -0.143 0.000 2.072 255 E HA -0.104 4.247 4.350 0.001 0.000 0.191 255 E C 1.582 178.392 176.600 0.350 0.000 0.985 255 E CA 1.079 57.588 56.400 0.183 0.000 0.801 255 E CB -0.286 29.495 29.700 0.136 0.000 0.750 255 E HN 0.578 nan 8.360 nan 0.000 0.452 256 F N 0.504 120.595 119.950 0.235 0.000 2.259 256 F HA 0.035 4.562 4.527 0.001 0.000 0.298 256 F C 1.918 177.955 175.800 0.394 0.000 1.088 256 F CA 1.120 59.313 58.000 0.322 0.000 1.358 256 F CB -0.612 38.635 39.000 0.412 0.000 1.040 256 F HN 0.062 nan 8.300 nan 0.000 0.505 257 A N 0.245 123.310 122.820 0.409 0.000 1.908 257 A HA -0.244 4.077 4.320 0.001 0.000 0.218 257 A C 2.410 180.076 177.584 0.138 0.000 1.181 257 A CA 1.868 54.030 52.037 0.209 0.000 0.627 257 A CB -0.818 18.316 19.000 0.224 0.000 0.818 257 A HN 0.379 nan 8.150 nan 0.000 0.445 258 K N -0.448 120.112 120.400 0.267 0.000 2.057 258 K HA -0.184 4.137 4.320 0.001 0.000 0.207 258 K C 2.064 178.743 176.600 0.131 0.000 1.049 258 K CA 1.618 58.051 56.287 0.243 0.000 0.931 258 K CB -0.183 32.549 32.500 0.387 0.000 0.714 258 K HN 0.656 nan 8.250 nan 0.000 0.440 259 E N 0.493 120.767 120.200 0.124 0.000 2.118 259 E HA -0.168 4.182 4.350 0.001 0.000 0.195 259 E C 1.784 178.369 176.600 -0.025 0.000 0.992 259 E CA 0.910 57.355 56.400 0.075 0.000 0.804 259 E CB 0.041 29.835 29.700 0.156 0.000 0.741 259 E HN 0.304 nan 8.360 nan 0.000 0.458 260 L N -0.657 120.481 121.223 -0.142 0.000 2.599 260 L HA 0.138 4.479 4.340 0.001 0.000 0.230 260 L C 1.301 178.171 176.870 -0.001 0.000 1.141 260 L CA 0.377 55.136 54.840 -0.134 0.000 0.877 260 L CB 0.121 42.011 42.059 -0.283 0.000 1.009 260 L HN 0.347 nan 8.230 nan 0.000 0.447 261 G N 0.184 108.997 108.800 0.022 0.000 2.198 261 G HA2 -0.259 3.702 3.960 0.001 0.000 0.257 261 G HA3 -0.259 3.702 3.960 0.001 0.000 0.257 261 G C 0.251 175.184 174.900 0.056 0.000 1.042 261 G CA -0.218 44.913 45.100 0.053 0.000 0.791 261 G HN 0.103 nan 8.290 nan 0.000 0.502 262 M N 0.442 120.062 119.600 0.034 0.000 2.188 262 M HA 0.196 4.677 4.480 0.001 0.000 0.354 262 M C -0.558 175.775 176.300 0.055 0.000 1.342 262 M CA -2.059 53.258 55.300 0.028 0.000 1.117 262 M CB 0.746 33.336 32.600 -0.018 0.000 1.670 262 M HN 0.039 nan 8.290 nan 0.000 0.466 263 P HA 0.151 nan 4.420 nan 0.000 0.231 263 P C 0.080 177.402 177.300 0.036 0.000 1.168 263 P CA 0.801 63.930 63.100 0.049 0.000 0.779 263 P CB 0.873 32.618 31.700 0.075 0.000 0.844 264 I N -0.170 120.437 120.570 0.062 0.000 2.722 264 I HA 0.364 4.535 4.170 0.001 0.000 0.292 264 I C -1.006 175.147 176.117 0.059 0.000 1.267 264 I CA -1.498 59.820 61.300 0.029 0.000 1.036 264 I CB 2.247 40.248 38.000 0.002 0.000 1.281 264 I HN -0.251 nan 8.210 nan 0.000 0.423 265 I N 3.703 124.300 120.570 0.044 0.000 3.294 265 I HA 0.671 4.841 4.170 0.001 0.000 0.311 265 I C -1.398 174.759 176.117 0.068 0.000 1.111 265 I CA -0.965 60.378 61.300 0.071 0.000 0.976 265 I CB 2.222 40.280 38.000 0.097 0.000 1.260 265 I HN 0.693 nan 8.210 nan 0.000 0.474 266 M N 1.886 121.562 119.600 0.125 0.000 2.446 266 M HA 0.475 4.955 4.480 0.001 0.000 0.294 266 M C -2.016 174.417 176.300 0.222 0.000 1.158 266 M CA -0.356 55.053 55.300 0.181 0.000 0.899 266 M CB 2.227 34.973 32.600 0.243 0.000 1.687 266 M HN 0.837 nan 8.290 nan 0.000 0.455 267 H N 2.357 121.467 119.070 0.066 0.000 2.954 267 H HA 0.293 4.849 4.556 0.001 0.000 0.361 267 H C -1.663 173.707 175.328 0.070 0.000 1.122 267 H CA -0.663 55.409 56.048 0.041 0.000 1.217 267 H CB 1.958 31.730 29.762 0.015 0.000 1.776 267 H HN 0.699 nan 8.280 nan 0.000 0.533 268 D N 5.676 125.833 120.400 -0.405 0.000 2.441 268 D HA 0.007 4.648 4.640 0.001 0.000 0.221 268 D C 1.106 177.118 176.300 -0.481 0.000 1.156 268 D CA -0.146 53.675 54.000 -0.297 0.000 0.896 268 D CB 0.375 41.031 40.800 -0.240 0.000 1.028 268 D HN 0.454 nan 8.370 nan 0.000 0.509 269 F N 1.536 121.211 119.950 -0.458 0.000 2.407 269 F HA 0.024 4.551 4.527 0.001 0.000 0.299 269 F C 1.305 176.799 175.800 -0.509 0.000 1.097 269 F CA 0.465 58.181 58.000 -0.473 0.000 1.422 269 F CB -0.270 38.489 39.000 -0.401 0.000 1.067 269 F HN 0.182 nan 8.300 nan 0.000 0.539 270 L N 0.534 121.124 121.223 -1.056 0.000 2.168 270 L HA -0.030 4.311 4.340 0.001 0.000 0.203 270 L C 2.671 179.280 176.870 -0.435 0.000 1.078 270 L CA 1.390 55.705 54.840 -0.874 0.000 0.780 270 L CB -0.821 40.724 42.059 -0.858 0.000 0.939 270 L HN 0.362 nan 8.230 nan 0.000 0.451 271 T N -3.108 111.241 114.554 -0.342 0.000 3.023 271 T HA 0.070 4.420 4.350 0.001 0.000 0.266 271 T C 1.729 176.322 174.700 -0.178 0.000 1.093 271 T CA 0.748 62.720 62.100 -0.214 0.000 1.129 271 T CB 0.092 68.859 68.868 -0.169 0.000 0.899 271 T HN 0.235 nan 8.240 nan 0.000 0.491 272 A N 1.489 124.174 122.820 -0.224 0.000 1.887 272 A HA 0.656 4.976 4.320 0.001 0.000 0.212 272 A C 1.458 179.000 177.584 -0.070 0.000 1.198 272 A CA 0.696 52.660 52.037 -0.123 0.000 0.628 272 A CB -0.660 18.259 19.000 -0.135 0.000 0.847 272 A HN 1.424 nan 8.150 nan 0.000 0.449 273 G N -3.162 105.559 108.800 -0.131 0.000 2.406 273 G HA2 0.111 4.071 3.960 0.001 0.000 0.680 273 G HA3 0.111 4.071 3.960 0.001 0.000 0.680 273 G C -0.095 174.799 174.900 -0.009 0.000 1.338 273 G CA -0.250 44.801 45.100 -0.083 0.000 0.941 273 G HN 0.192 nan 8.290 nan 0.000 0.633 274 F N 0.400 120.408 119.950 0.097 0.000 2.325 274 F HA 0.061 4.589 4.527 0.001 0.000 0.299 274 F C 3.031 178.901 175.800 0.117 0.000 1.090 274 F CA 2.157 60.242 58.000 0.140 0.000 1.392 274 F CB -0.148 38.928 39.000 0.126 0.000 1.053 274 F HN 0.524 nan 8.300 nan 0.000 0.521 275 T N -0.449 114.259 114.554 0.256 0.000 2.777 275 T HA -0.133 4.217 4.350 0.001 0.000 0.266 275 T C 2.314 177.088 174.700 0.123 0.000 1.040 275 T CA 1.296 63.493 62.100 0.162 0.000 1.141 275 T CB -0.531 68.403 68.868 0.110 0.000 0.868 275 T HN 0.261 nan 8.240 nan 0.000 0.444 276 A N 1.913 124.801 122.820 0.115 0.000 1.930 276 A HA -0.099 4.221 4.320 0.001 0.000 0.217 276 A C 2.256 179.884 177.584 0.072 0.000 1.175 276 A CA 1.400 53.483 52.037 0.077 0.000 0.627 276 A CB -0.713 18.346 19.000 0.099 0.000 0.815 276 A HN 0.507 nan 8.150 nan 0.000 0.443 277 N N -0.416 118.402 118.700 0.197 0.000 2.120 277 N HA -0.137 4.603 4.740 0.001 0.000 0.188 277 N C 1.577 177.165 175.510 0.131 0.000 1.024 277 N CA 1.979 55.151 53.050 0.204 0.000 0.852 277 N CB -0.130 38.523 38.487 0.278 0.000 1.003 277 N HN 0.420 nan 8.380 nan 0.000 0.424 278 T N -0.112 114.543 114.554 0.169 0.000 2.821 278 T HA -0.074 4.276 4.350 0.001 0.000 0.267 278 T C 1.824 176.580 174.700 0.092 0.000 1.046 278 T CA 1.476 63.663 62.100 0.144 0.000 1.139 278 T CB -0.553 68.415 68.868 0.166 0.000 0.871 278 T HN 0.298 nan 8.240 nan 0.000 0.454 279 T N 2.249 116.846 114.554 0.071 0.000 2.665 279 T HA -0.089 4.262 4.350 0.001 0.000 0.268 279 T C 1.853 176.593 174.700 0.067 0.000 1.035 279 T CA 1.043 63.174 62.100 0.053 0.000 1.151 279 T CB -0.453 68.424 68.868 0.016 0.000 0.862 279 T HN 0.109 nan 8.240 nan 0.000 0.438 280 L N 1.008 122.232 121.223 0.003 0.000 2.056 280 L HA 0.176 4.516 4.340 0.001 0.000 0.207 280 L C 2.577 179.524 176.870 0.129 0.000 1.078 280 L CA 1.710 56.552 54.840 0.002 0.000 0.749 280 L CB -0.975 40.945 42.059 -0.233 0.000 0.901 280 L HN 0.218 nan 8.230 nan 0.000 0.433 281 A N -0.748 122.119 122.820 0.079 0.000 1.933 281 A HA -0.174 4.147 4.320 0.001 0.000 0.218 281 A C 2.266 179.884 177.584 0.057 0.000 1.175 281 A CA 1.521 53.597 52.037 0.065 0.000 0.628 281 A CB -0.427 18.600 19.000 0.044 0.000 0.814 281 A HN 0.373 nan 8.150 nan 0.000 0.444 282 K N -1.384 119.062 120.400 0.076 0.000 2.002 282 K HA -0.203 4.118 4.320 0.001 0.000 0.209 282 K C 1.764 178.401 176.600 0.063 0.000 1.048 282 K CA 1.447 57.766 56.287 0.053 0.000 0.930 282 K CB -0.614 31.924 32.500 0.064 0.000 0.714 282 K HN 0.727 nan 8.250 nan 0.000 0.438 283 W N 1.848 123.134 121.300 -0.023 0.000 2.301 283 W HA -0.335 4.326 4.660 0.001 0.000 0.325 283 W C 2.320 178.837 176.519 -0.002 0.000 1.250 283 W CA 1.952 59.288 57.345 -0.013 0.000 1.261 283 W CB -0.740 28.708 29.460 -0.021 0.000 1.157 283 W HN 0.084 nan 8.180 nan 0.000 0.473 284 C N 0.142 119.546 119.300 0.174 0.000 2.396 284 C HA -0.251 4.210 4.460 0.001 0.000 0.277 284 C C 2.677 177.598 174.990 -0.115 0.000 1.231 284 C CA 1.594 60.626 59.018 0.023 0.000 1.775 284 C CB -1.689 26.163 27.740 0.187 0.000 2.036 284 C HN 0.470 nan 8.230 nan 0.000 0.484 285 R N 1.385 121.796 120.500 -0.149 0.000 2.075 285 R HA -0.074 4.267 4.340 0.001 0.000 0.232 285 R C 1.599 177.791 176.300 -0.180 0.000 1.126 285 R CA 1.817 57.788 56.100 -0.215 0.000 0.963 285 R CB -0.709 29.483 30.300 -0.180 0.000 0.858 285 R HN 0.444 nan 8.270 nan 0.000 0.435 286 D N -0.380 119.886 120.400 -0.224 0.000 2.317 286 D HA -0.025 4.615 4.640 0.001 0.000 0.211 286 D C 0.424 176.537 176.300 -0.312 0.000 0.966 286 D CA 0.787 54.648 54.000 -0.232 0.000 0.876 286 D CB 0.066 40.734 40.800 -0.221 0.000 0.927 286 D HN 0.320 nan 8.370 nan 0.000 0.519 287 N N -0.578 117.834 118.700 -0.479 0.000 2.177 287 N HA 0.094 4.834 4.740 0.001 0.000 0.218 287 N C 0.878 176.218 175.510 -0.283 0.000 1.182 287 N CA 0.305 53.043 53.050 -0.521 0.000 0.882 287 N CB 1.783 39.586 38.487 -1.140 0.000 1.052 287 N HN 0.045 nan 8.380 nan 0.000 0.519 288 G N 1.288 110.019 108.800 -0.116 0.000 2.225 288 G HA2 -0.256 3.705 3.960 0.001 0.000 0.267 288 G HA3 -0.256 3.705 3.960 0.001 0.000 0.267 288 G C -0.065 174.810 174.900 -0.042 0.000 1.024 288 G CA 0.308 45.426 45.100 0.031 0.000 0.784 288 G HN 0.167 nan 8.290 nan 0.000 0.507 289 V N 0.833 120.755 119.914 0.013 0.000 2.472 289 V HA 0.571 4.691 4.120 0.001 0.000 0.290 289 V C 1.031 177.182 176.094 0.095 0.000 1.037 289 V CA -0.851 61.477 62.300 0.046 0.000 0.908 289 V CB 1.725 33.658 31.823 0.183 0.000 0.985 289 V HN 0.327 nan 8.190 nan 0.000 0.454 290 L N 4.542 125.736 121.223 -0.047 0.000 2.417 290 L HA 0.382 4.723 4.340 0.001 0.000 0.268 290 L C -0.396 176.435 176.870 -0.065 0.000 1.158 290 L CA -0.303 54.495 54.840 -0.069 0.000 0.819 290 L CB 0.857 42.797 42.059 -0.197 0.000 1.112 290 L HN 0.433 nan 8.230 nan 0.000 0.458 291 L N 2.818 123.977 121.223 -0.107 0.000 2.353 291 L HA 0.322 4.663 4.340 0.001 0.000 0.270 291 L C -0.546 176.163 176.870 -0.269 0.000 1.003 291 L CA -0.288 54.486 54.840 -0.111 0.000 0.862 291 L CB 0.738 42.786 42.059 -0.018 0.000 1.221 291 L HN 0.442 nan 8.230 nan 0.000 0.430 292 H N 5.353 124.162 119.070 -0.435 0.000 2.742 292 H HA 0.448 5.005 4.556 0.001 0.000 0.302 292 H C -0.663 174.568 175.328 -0.161 0.000 1.069 292 H CA -0.303 55.462 56.048 -0.473 0.000 1.446 292 H CB 0.564 29.816 29.762 -0.851 0.000 1.462 292 H HN 0.462 nan 8.280 nan 0.000 0.499 293 I N 6.239 126.509 120.570 -0.500 0.000 2.307 293 I HA 0.083 4.254 4.170 0.001 0.000 0.289 293 I C 0.492 176.414 176.117 -0.325 0.000 1.021 293 I CA -0.306 60.814 61.300 -0.300 0.000 1.224 293 I CB 0.346 38.157 38.000 -0.315 0.000 1.376 293 I HN 0.707 nan 8.210 nan 0.000 0.470 294 H N 7.578 126.510 119.070 -0.230 0.000 2.562 294 H HA 0.244 4.800 4.556 0.001 0.000 0.352 294 H C 0.620 175.893 175.328 -0.091 0.000 1.125 294 H CA -0.035 55.824 56.048 -0.314 0.000 1.379 294 H CB 1.433 31.060 29.762 -0.225 0.000 1.464 294 H HN 0.531 nan 8.280 nan 0.000 0.563 295 R N 2.878 123.219 120.500 -0.264 0.000 2.696 295 R HA 0.345 4.686 4.340 0.001 0.000 0.355 295 R C -0.469 175.822 176.300 -0.015 0.000 1.138 295 R CA -0.559 55.552 56.100 0.019 0.000 1.059 295 R CB -0.124 30.122 30.300 -0.090 0.000 1.380 295 R HN 0.379 nan 8.270 nan 0.000 0.578 296 A N 1.608 124.483 122.820 0.093 0.000 2.565 296 A HA 0.129 4.450 4.320 0.001 0.000 0.237 296 A C 0.957 178.531 177.584 -0.017 0.000 1.053 296 A CA 0.788 52.878 52.037 0.089 0.000 0.755 296 A CB -0.089 18.947 19.000 0.060 0.000 0.980 296 A HN 0.849 nan 8.150 nan 0.000 0.506 297 M N 0.601 120.208 119.600 0.012 0.000 3.019 297 M HA -0.285 4.195 4.480 0.001 0.000 0.214 297 M C 0.885 177.143 176.300 -0.069 0.000 0.577 297 M CA 1.867 57.133 55.300 -0.058 0.000 0.816 297 M CB -2.125 30.411 32.600 -0.106 0.000 2.911 297 M HN 1.236 nan 8.290 nan 0.000 0.302 298 H N -0.976 118.034 119.070 -0.100 0.000 2.421 298 H HA 0.305 4.861 4.556 0.001 0.000 0.298 298 H C 1.738 177.048 175.328 -0.031 0.000 1.087 298 H CA 1.702 57.722 56.048 -0.046 0.000 1.330 298 H CB -0.373 29.413 29.762 0.040 0.000 1.388 298 H HN 0.495 nan 8.280 nan 0.000 0.526 299 A N 1.154 123.439 122.820 -0.892 0.000 2.119 299 A HA 0.027 4.348 4.320 0.001 0.000 0.217 299 A C 2.420 179.846 177.584 -0.264 0.000 1.153 299 A CA 0.899 52.555 52.037 -0.634 0.000 0.692 299 A CB -0.619 18.038 19.000 -0.573 0.000 0.799 299 A HN 0.351 nan 8.150 nan 0.000 0.458 300 V N -0.170 119.630 119.914 -0.190 0.000 2.490 300 V HA -0.237 3.883 4.120 0.001 0.000 0.250 300 V C 2.173 178.227 176.094 -0.066 0.000 1.061 300 V CA 2.084 64.324 62.300 -0.100 0.000 1.064 300 V CB -0.507 31.267 31.823 -0.081 0.000 0.670 300 V HN 0.617 nan 8.190 nan 0.000 0.461 301 I N 0.392 120.914 120.570 -0.081 0.000 3.172 301 I HA 0.008 4.178 4.170 0.001 0.000 0.278 301 I C 1.707 177.811 176.117 -0.022 0.000 1.174 301 I CA 0.986 62.261 61.300 -0.043 0.000 1.445 301 I CB -0.062 37.910 38.000 -0.047 0.000 1.175 301 I HN 0.437 nan 8.210 nan 0.000 0.447 302 D N -0.162 120.206 120.400 -0.054 0.000 2.398 302 D HA -0.032 4.608 4.640 0.001 0.000 0.210 302 D C 1.803 178.075 176.300 -0.047 0.000 1.094 302 D CA -0.031 53.949 54.000 -0.034 0.000 0.839 302 D CB 0.024 40.830 40.800 0.010 0.000 0.963 302 D HN -0.000 nan 8.370 nan 0.000 0.506 303 R N 0.229 120.697 120.500 -0.054 0.000 2.057 303 R HA 0.029 4.370 4.340 0.001 0.000 0.229 303 R C 0.451 176.771 176.300 0.033 0.000 1.136 303 R CA 1.032 57.113 56.100 -0.032 0.000 0.952 303 R CB -0.076 30.188 30.300 -0.059 0.000 0.848 303 R HN 0.025 nan 8.270 nan 0.000 0.430 304 Q N 1.056 120.889 119.800 0.055 0.000 2.288 304 Q HA 0.044 4.385 4.340 0.001 0.000 0.254 304 Q C 0.338 176.413 176.000 0.126 0.000 0.932 304 Q CA 0.093 55.948 55.803 0.087 0.000 0.902 304 Q CB 1.339 30.132 28.738 0.092 0.000 1.203 304 Q HN 0.482 nan 8.270 nan 0.000 0.415 305 R N 1.376 121.955 120.500 0.132 0.000 2.313 305 R HA -0.013 4.328 4.340 0.001 0.000 0.199 305 R C 0.671 177.062 176.300 0.151 0.000 0.958 305 R CA 0.739 56.936 56.100 0.161 0.000 1.047 305 R CB 0.077 30.473 30.300 0.161 0.000 0.955 305 R HN 0.493 nan 8.270 nan 0.000 0.481 306 N N 0.050 118.837 118.700 0.145 0.000 2.415 306 N HA -0.106 4.635 4.740 0.001 0.000 0.174 306 N C -0.453 175.196 175.510 0.232 0.000 1.048 306 N CA 0.426 53.564 53.050 0.147 0.000 0.895 306 N CB 0.065 38.622 38.487 0.115 0.000 1.036 306 N HN 0.390 nan 8.380 nan 0.000 0.449 307 H N -1.039 118.116 119.070 0.141 0.000 2.966 307 H HA 0.577 5.134 4.556 0.001 0.000 0.347 307 H C -0.010 175.449 175.328 0.219 0.000 1.048 307 H CA 0.436 56.605 56.048 0.200 0.000 1.295 307 H CB 1.437 31.299 29.762 0.168 0.000 1.744 307 H HN 0.402 nan 8.280 nan 0.000 0.513 308 G N 2.754 111.579 108.800 0.043 0.000 2.250 308 G HA2 0.021 3.982 3.960 0.001 0.000 0.252 308 G HA3 0.021 3.982 3.960 0.001 0.000 0.252 308 G C -1.622 173.342 174.900 0.108 0.000 1.325 308 G CA -0.364 44.768 45.100 0.053 0.000 1.091 308 G HN 0.619 nan 8.290 nan 0.000 0.476 309 I N 1.074 121.665 120.570 0.035 0.000 2.466 309 I HA 0.321 4.491 4.170 0.001 0.000 0.289 309 I C 0.162 176.325 176.117 0.076 0.000 1.026 309 I CA -0.871 60.459 61.300 0.049 0.000 1.078 309 I CB 1.931 39.916 38.000 -0.025 0.000 1.249 309 I HN 0.646 nan 8.210 nan 0.000 0.429 310 H N 5.045 124.148 119.070 0.055 0.000 2.815 310 H HA -0.019 4.538 4.556 0.001 0.000 0.350 310 H C 0.476 175.859 175.328 0.092 0.000 1.080 310 H CA 0.667 56.779 56.048 0.106 0.000 1.433 310 H CB 1.019 30.847 29.762 0.109 0.000 1.432 310 H HN 0.638 nan 8.280 nan 0.000 0.592 311 F N 5.402 125.129 119.950 -0.372 0.000 2.192 311 F HA -0.224 4.303 4.527 0.001 0.000 0.301 311 F C 2.594 178.338 175.800 -0.093 0.000 1.079 311 F CA 1.789 59.667 58.000 -0.204 0.000 1.303 311 F CB -0.075 38.709 39.000 -0.361 0.000 1.024 311 F HN 0.676 nan 8.300 nan 0.000 0.494 312 R N -0.441 120.135 120.500 0.127 0.000 2.189 312 R HA -0.079 4.261 4.340 0.001 0.000 0.223 312 R C 1.689 177.987 176.300 -0.005 0.000 1.092 312 R CA 1.630 57.773 56.100 0.072 0.000 0.989 312 R CB -1.180 29.370 30.300 0.416 0.000 0.876 312 R HN 0.308 nan 8.270 nan 0.000 0.457 313 V N 1.915 121.833 119.914 0.007 0.000 2.323 313 V HA -0.160 3.960 4.120 0.001 0.000 0.244 313 V C 2.486 178.551 176.094 -0.049 0.000 1.041 313 V CA 1.422 63.727 62.300 0.009 0.000 1.025 313 V CB -0.391 31.429 31.823 -0.004 0.000 0.656 313 V HN 0.272 nan 8.190 nan 0.000 0.451 314 L N 0.269 121.392 121.223 -0.167 0.000 2.127 314 L HA -0.168 4.173 4.340 0.001 0.000 0.211 314 L C 2.687 179.399 176.870 -0.263 0.000 1.089 314 L CA 1.557 56.333 54.840 -0.105 0.000 0.757 314 L CB -0.849 41.149 42.059 -0.101 0.000 0.899 314 L HN 0.384 nan 8.230 nan 0.000 0.434 315 A N 0.321 122.750 122.820 -0.652 0.000 1.897 315 A HA -0.167 4.153 4.320 0.001 0.000 0.215 315 A C 2.332 179.789 177.584 -0.212 0.000 1.181 315 A CA 1.326 53.039 52.037 -0.539 0.000 0.620 315 A CB -0.236 18.398 19.000 -0.610 0.000 0.821 315 A HN 0.294 nan 8.150 nan 0.000 0.443 316 K N -0.759 119.614 120.400 -0.045 0.000 2.097 316 K HA -0.120 4.200 4.320 0.001 0.000 0.206 316 K C 1.987 178.554 176.600 -0.056 0.000 1.049 316 K CA 1.374 57.755 56.287 0.156 0.000 0.933 316 K CB -0.449 32.290 32.500 0.399 0.000 0.717 316 K HN 0.536 nan 8.250 nan 0.000 0.442 317 C N 0.616 119.864 119.300 -0.087 0.000 2.440 317 C HA -0.056 4.405 4.460 0.001 0.000 0.278 317 C C 2.524 177.442 174.990 -0.119 0.000 1.295 317 C CA 0.277 59.162 59.018 -0.221 0.000 1.738 317 C CB -0.607 27.035 27.740 -0.163 0.000 1.987 317 C HN 0.451 nan 8.230 nan 0.000 0.492 318 L N 1.211 122.411 121.223 -0.039 0.000 2.109 318 L HA -0.052 4.289 4.340 0.001 0.000 0.207 318 L C 2.712 179.455 176.870 -0.211 0.000 1.086 318 L CA 1.656 56.405 54.840 -0.150 0.000 0.760 318 L CB -0.568 41.145 42.059 -0.577 0.000 0.910 318 L HN 0.244 nan 8.230 nan 0.000 0.437 319 R N -0.471 119.875 120.500 -0.257 0.000 2.127 319 R HA -0.163 4.178 4.340 0.001 0.000 0.238 319 R C 2.000 178.154 176.300 -0.244 0.000 1.134 319 R CA 1.818 57.730 56.100 -0.313 0.000 0.975 319 R CB -0.432 29.534 30.300 -0.557 0.000 0.865 319 R HN 0.453 nan 8.270 nan 0.000 0.447 320 L N -0.634 120.422 121.223 -0.278 0.000 2.068 320 L HA -0.049 4.292 4.340 0.001 0.000 0.204 320 L C 2.604 179.392 176.870 -0.136 0.000 1.076 320 L CA 1.416 56.008 54.840 -0.413 0.000 0.753 320 L CB -0.596 40.810 42.059 -1.088 0.000 0.910 320 L HN 0.283 nan 8.230 nan 0.000 0.439 321 S N -0.701 114.967 115.700 -0.053 0.000 2.368 321 S HA 0.024 4.494 4.470 0.001 0.000 0.225 321 S C 0.855 175.511 174.600 0.093 0.000 1.030 321 S CA 1.077 59.365 58.200 0.147 0.000 0.999 321 S CB -0.231 63.162 63.200 0.322 0.000 0.844 321 S HN 0.587 nan 8.310 nan 0.000 0.459 322 G N -1.434 107.366 108.800 0.000 0.000 3.088 322 G HA2 0.425 4.385 3.960 0.001 0.000 0.620 322 G HA3 0.425 4.385 3.960 0.001 0.000 0.620 322 G C -0.358 174.496 174.900 -0.076 0.000 1.375 322 G CA -0.445 44.633 45.100 -0.037 0.000 1.016 322 G HN 0.973 nan 8.290 nan 0.000 0.590 323 G N 0.532 109.260 108.800 -0.121 0.000 2.702 323 G HA2 0.614 4.574 3.960 0.001 0.000 0.296 323 G HA3 0.614 4.574 3.960 0.001 0.000 0.296 323 G C -0.131 174.693 174.900 -0.127 0.000 1.463 323 G CA 0.100 45.117 45.100 -0.137 0.000 0.890 323 G HN 0.308 nan 8.290 nan 0.000 0.534 324 D N -0.404 119.922 120.400 -0.124 0.000 2.240 324 D HA 0.076 4.717 4.640 0.001 0.000 0.206 324 D C 0.401 176.718 176.300 0.029 0.000 0.963 324 D CA 1.037 54.992 54.000 -0.075 0.000 0.863 324 D CB 0.310 41.050 40.800 -0.099 0.000 0.973 324 D HN 0.574 nan 8.370 nan 0.000 0.501 325 H N -0.699 118.257 119.070 -0.191 0.000 2.621 325 H HA 0.569 5.126 4.556 0.001 0.000 0.360 325 H C -0.978 174.162 175.328 -0.313 0.000 1.163 325 H CA -1.084 54.821 56.048 -0.238 0.000 1.194 325 H CB 2.596 32.203 29.762 -0.257 0.000 1.649 325 H HN -0.127 nan 8.280 nan 0.000 0.532 326 L N 1.679 122.827 121.223 -0.125 0.000 2.505 326 L HA 0.198 4.538 4.340 0.001 0.000 0.266 326 L C -0.824 175.993 176.870 -0.088 0.000 0.954 326 L CA -0.375 54.372 54.840 -0.154 0.000 0.852 326 L CB 1.420 43.398 42.059 -0.135 0.000 1.282 326 L HN 0.720 nan 8.230 nan 0.000 0.403 327 H N 2.949 121.843 119.070 -0.292 0.000 3.125 327 H HA 0.090 4.647 4.556 0.001 0.000 0.310 327 H C 0.369 175.535 175.328 -0.270 0.000 0.980 327 H CA 0.956 56.825 56.048 -0.299 0.000 1.422 327 H CB 0.838 30.340 29.762 -0.433 0.000 1.432 327 H HN 0.769 nan 8.280 nan 0.000 0.577 328 S N 2.028 117.657 115.700 -0.118 0.000 2.666 328 S HA 0.303 4.773 4.470 0.001 0.000 0.239 328 S C 0.951 175.601 174.600 0.083 0.000 1.031 328 S CA 0.078 58.322 58.200 0.073 0.000 1.015 328 S CB 1.088 64.463 63.200 0.291 0.000 0.981 328 S HN 1.083 nan 8.310 nan 0.000 0.547 329 G N 1.259 110.007 108.800 -0.086 0.000 2.756 329 G HA2 -0.111 3.850 3.960 0.001 0.000 0.678 329 G HA3 -0.111 3.850 3.960 0.001 0.000 0.678 329 G C 0.320 175.244 174.900 0.040 0.000 1.349 329 G CA 0.181 45.263 45.100 -0.030 0.000 0.847 329 G HN 1.006 nan 8.290 nan 0.000 0.548 330 T N -3.281 111.286 114.554 0.021 0.000 2.969 330 T HA 0.430 4.780 4.350 0.001 0.000 0.250 330 T C 1.918 176.680 174.700 0.104 0.000 1.021 330 T CA 1.490 63.618 62.100 0.047 0.000 1.003 330 T CB 0.352 69.143 68.868 -0.128 0.000 1.040 330 T HN 2.286 nan 8.240 nan 0.000 0.492 331 V N 0.809 120.757 119.914 0.058 0.000 0.481 331 V HA -0.333 3.788 4.120 0.001 0.000 0.092 331 V C 2.113 178.221 176.094 0.022 0.000 2.400 331 V CA 2.010 64.328 62.300 0.031 0.000 3.646 331 V CB -1.990 29.829 31.823 -0.006 0.000 0.927 331 V HN 0.734 nan 8.190 nan 0.000 0.973 332 V N -0.863 119.042 119.914 -0.015 0.000 3.608 332 V HA 0.640 4.761 4.120 0.001 0.000 0.269 332 V C 1.238 177.277 176.094 -0.092 0.000 1.245 332 V CA 1.465 63.751 62.300 -0.023 0.000 1.138 332 V CB -0.105 31.702 31.823 -0.027 0.000 0.841 332 V HN 0.944 nan 8.190 nan 0.000 0.451 333 G N 1.298 109.990 108.800 -0.180 0.000 2.574 333 G HA2 0.293 4.254 3.960 0.001 0.000 0.248 333 G HA3 0.293 4.254 3.960 0.001 0.000 0.248 333 G C 0.704 175.308 174.900 -0.493 0.000 1.422 333 G CA -0.006 44.895 45.100 -0.331 0.000 1.051 333 G HN 0.492 nan 8.290 nan 0.000 0.560 334 K N -1.239 118.615 120.400 -0.911 0.000 2.366 334 K HA 0.175 4.495 4.320 0.001 0.000 0.198 334 K C 0.400 176.789 176.600 -0.352 0.000 1.044 334 K CA 0.449 56.151 56.287 -0.973 0.000 0.973 334 K CB -0.187 31.742 32.500 -0.952 0.000 0.767 334 K HN 0.215 nan 8.250 nan 0.000 0.475 335 L N 1.668 122.748 121.223 -0.237 0.000 2.330 335 L HA 0.329 4.670 4.340 0.001 0.000 0.271 335 L C -0.145 176.693 176.870 -0.052 0.000 1.013 335 L CA -1.148 53.621 54.840 -0.118 0.000 0.816 335 L CB 1.835 43.843 42.059 -0.086 0.000 1.287 335 L HN 0.122 nan 8.230 nan 0.000 0.435 336 E N 0.742 120.931 120.200 -0.017 0.000 2.360 336 E HA 0.426 4.777 4.350 0.001 0.000 0.269 336 E C -0.436 176.196 176.600 0.054 0.000 1.022 336 E CA -0.153 56.264 56.400 0.028 0.000 0.887 336 E CB 0.940 30.655 29.700 0.026 0.000 0.990 336 E HN 0.735 nan 8.360 nan 0.000 0.426 337 G N 3.812 112.657 108.800 0.075 0.000 2.413 337 G HA2 0.122 4.082 3.960 0.001 0.000 0.285 337 G HA3 0.122 4.082 3.960 0.001 0.000 0.285 337 G C -1.578 173.376 174.900 0.089 0.000 1.337 337 G CA -0.828 44.333 45.100 0.103 0.000 1.324 337 G HN 0.622 nan 8.290 nan 0.000 0.611 338 D N 1.678 122.147 120.400 0.115 0.000 2.348 338 D HA 0.210 4.850 4.640 0.001 0.000 0.253 338 D C 1.501 177.812 176.300 0.019 0.000 1.161 338 D CA -0.396 53.654 54.000 0.084 0.000 0.876 338 D CB 1.210 42.088 40.800 0.129 0.000 1.160 338 D HN 0.227 nan 8.370 nan 0.000 0.459 339 K N 3.262 123.652 120.400 -0.016 0.000 2.057 339 K HA -0.182 4.138 4.320 0.001 0.000 0.207 339 K C 1.630 178.161 176.600 -0.114 0.000 1.049 339 K CA 1.153 57.389 56.287 -0.084 0.000 0.931 339 K CB -0.168 32.288 32.500 -0.073 0.000 0.714 339 K HN 0.579 nan 8.250 nan 0.000 0.440 340 A N 1.089 123.869 122.820 -0.066 0.000 1.858 340 A HA -0.165 4.156 4.320 0.001 0.000 0.216 340 A C 2.164 179.699 177.584 -0.082 0.000 1.190 340 A CA 2.459 54.454 52.037 -0.069 0.000 0.617 340 A CB -0.779 18.200 19.000 -0.035 0.000 0.827 340 A HN 0.558 nan 8.150 nan 0.000 0.443 341 S N -1.463 114.219 115.700 -0.032 0.000 2.461 341 S HA -0.084 4.387 4.470 0.001 0.000 0.228 341 S C 1.743 176.207 174.600 -0.227 0.000 1.005 341 S CA 1.634 59.839 58.200 0.008 0.000 0.942 341 S CB -0.869 62.451 63.200 0.199 0.000 0.776 341 S HN 0.457 nan 8.310 nan 0.000 0.514 342 T N 3.026 117.334 114.554 -0.409 0.000 2.821 342 T HA 0.162 4.513 4.350 0.001 0.000 0.267 342 T C 1.639 175.880 174.700 -0.765 0.000 1.046 342 T CA 1.296 62.805 62.100 -0.985 0.000 1.139 342 T CB -0.452 68.144 68.868 -0.453 0.000 0.871 342 T HN 0.337 nan 8.240 nan 0.000 0.454 343 L N 0.644 121.626 121.223 -0.402 0.000 2.141 343 L HA 0.033 4.374 4.340 0.001 0.000 0.209 343 L C 2.931 179.694 176.870 -0.178 0.000 1.094 343 L CA 1.092 55.773 54.840 -0.266 0.000 0.763 343 L CB -0.974 40.968 42.059 -0.195 0.000 0.908 343 L HN 0.331 nan 8.230 nan 0.000 0.437 344 G N 1.340 110.042 108.800 -0.163 0.000 2.453 344 G HA2 -0.323 3.638 3.960 0.001 0.000 0.215 344 G HA3 -0.323 3.638 3.960 0.001 0.000 0.215 344 G C 1.296 176.249 174.900 0.090 0.000 1.201 344 G CA 1.064 46.147 45.100 -0.028 0.000 0.784 344 G HN 0.473 nan 8.290 nan 0.000 0.545 345 F N 0.553 120.592 119.950 0.148 0.000 2.558 345 F HA 0.260 4.787 4.527 0.001 0.000 0.298 345 F C 2.123 178.014 175.800 0.152 0.000 1.119 345 F CA -0.044 58.062 58.000 0.177 0.000 1.451 345 F CB -0.804 38.355 39.000 0.265 0.000 1.091 345 F HN -0.000 nan 8.300 nan 0.000 0.563 346 V N 1.048 121.092 119.914 0.217 0.000 2.427 346 V HA -0.223 3.898 4.120 0.001 0.000 0.248 346 V C 2.019 178.191 176.094 0.130 0.000 1.051 346 V CA 2.193 64.618 62.300 0.207 0.000 1.048 346 V CB -0.649 31.239 31.823 0.108 0.000 0.666 346 V HN 0.221 nan 8.190 nan 0.000 0.456 347 D N -0.021 120.434 120.400 0.091 0.000 2.144 347 D HA -0.080 4.561 4.640 0.001 0.000 0.200 347 D C 2.096 178.465 176.300 0.114 0.000 0.978 347 D CA 1.051 55.099 54.000 0.080 0.000 0.833 347 D CB -0.174 40.662 40.800 0.060 0.000 0.961 347 D HN 0.314 nan 8.370 nan 0.000 0.470 348 L N 0.465 121.796 121.223 0.181 0.000 2.141 348 L HA -0.079 4.261 4.340 0.001 0.000 0.209 348 L C 2.337 179.247 176.870 0.068 0.000 1.094 348 L CA 0.832 55.830 54.840 0.264 0.000 0.763 348 L CB -0.369 41.891 42.059 0.334 0.000 0.908 348 L HN 0.163 nan 8.230 nan 0.000 0.437 349 M N -2.537 117.070 119.600 0.012 0.000 2.502 349 M HA 0.053 4.533 4.480 0.001 0.000 0.243 349 M C 1.827 177.998 176.300 -0.215 0.000 1.130 349 M CA 1.038 56.239 55.300 -0.164 0.000 1.055 349 M CB 0.241 32.823 32.600 -0.031 0.000 1.457 349 M HN 0.019 nan 8.290 nan 0.000 0.488 350 R N 0.254 120.679 120.500 -0.125 0.000 2.243 350 R HA 0.284 4.624 4.340 0.001 0.000 0.193 350 R C 0.247 176.494 176.300 -0.088 0.000 0.933 350 R CA 0.161 56.209 56.100 -0.088 0.000 1.105 350 R CB 0.600 30.899 30.300 -0.001 0.000 1.169 350 R HN 0.338 nan 8.270 nan 0.000 0.599 351 E N 0.502 120.679 120.200 -0.038 0.000 2.292 351 E HA 0.017 4.367 4.350 0.001 0.000 0.258 351 E C -0.077 176.584 176.600 0.102 0.000 1.115 351 E CA 0.105 56.532 56.400 0.045 0.000 0.929 351 E CB 1.157 30.915 29.700 0.096 0.000 1.161 351 E HN 0.005 nan 8.360 nan 0.000 0.453 352 D N -1.071 119.443 120.400 0.190 0.000 2.301 352 D HA -0.076 4.564 4.640 0.001 0.000 0.206 352 D C -0.268 176.281 176.300 0.415 0.000 0.979 352 D CA 0.666 54.848 54.000 0.305 0.000 0.874 352 D CB 0.446 41.371 40.800 0.208 0.000 0.968 352 D HN 0.289 nan 8.370 nan 0.000 0.510 353 H N -0.341 118.862 119.070 0.222 0.000 2.934 353 H HA 0.382 4.939 4.556 0.001 0.000 0.340 353 H C -1.624 173.793 175.328 0.148 0.000 1.008 353 H CA -0.667 55.479 56.048 0.163 0.000 1.317 353 H CB 0.693 30.514 29.762 0.097 0.000 1.670 353 H HN -0.136 nan 8.280 nan 0.000 0.516 354 I N 5.072 125.407 120.570 -0.392 0.000 2.439 354 I HA 0.109 4.279 4.170 0.001 0.000 0.283 354 I C 0.153 176.067 176.117 -0.339 0.000 1.023 354 I CA -0.541 60.628 61.300 -0.219 0.000 1.100 354 I CB 1.567 39.582 38.000 0.025 0.000 1.238 354 I HN 0.411 nan 8.210 nan 0.000 0.445 355 E N 3.919 123.968 120.200 -0.251 0.000 2.398 355 E HA 0.317 4.667 4.350 0.001 0.000 0.263 355 E C 0.173 176.737 176.600 -0.059 0.000 1.046 355 E CA -0.216 56.115 56.400 -0.114 0.000 0.908 355 E CB 0.973 30.674 29.700 0.002 0.000 0.963 355 E HN 0.644 nan 8.360 nan 0.000 0.431 356 A N 2.598 125.398 122.820 -0.032 0.000 2.511 356 A HA 0.086 4.406 4.320 0.001 0.000 0.242 356 A C 0.061 177.597 177.584 -0.080 0.000 1.069 356 A CA 0.204 52.213 52.037 -0.046 0.000 0.763 356 A CB 0.160 19.137 19.000 -0.039 0.000 1.001 356 A HN 0.506 nan 8.150 nan 0.000 0.498 357 D N 1.086 121.414 120.400 -0.121 0.000 2.312 357 D HA 0.176 4.816 4.640 0.001 0.000 0.229 357 D C 0.691 176.871 176.300 -0.201 0.000 1.337 357 D CA -0.506 53.416 54.000 -0.130 0.000 0.964 357 D CB 0.526 41.277 40.800 -0.082 0.000 1.456 357 D HN 0.391 nan 8.370 nan 0.000 0.547 358 R N 1.106 121.442 120.500 -0.273 0.000 2.235 358 R HA -0.028 4.313 4.340 0.001 0.000 0.213 358 R C 1.704 177.851 176.300 -0.255 0.000 1.059 358 R CA 0.885 56.741 56.100 -0.407 0.000 0.997 358 R CB -0.214 29.817 30.300 -0.449 0.000 0.884 358 R HN 0.479 nan 8.270 nan 0.000 0.462 359 S N 0.172 115.776 115.700 -0.160 0.000 2.489 359 S HA 0.014 4.485 4.470 0.001 0.000 0.228 359 S C 1.573 176.122 174.600 -0.085 0.000 0.995 359 S CA 0.327 58.466 58.200 -0.102 0.000 0.934 359 S CB 0.145 63.298 63.200 -0.078 0.000 0.771 359 S HN 0.146 nan 8.310 nan 0.000 0.522 360 R N 0.329 120.771 120.500 -0.097 0.000 2.432 360 R HA 0.277 4.618 4.340 0.001 0.000 0.260 360 R C 1.433 177.698 176.300 -0.057 0.000 0.935 360 R CA 0.530 56.588 56.100 -0.070 0.000 1.080 360 R CB 0.063 30.326 30.300 -0.061 0.000 1.155 360 R HN 0.594 nan 8.270 nan 0.000 0.531 361 G N 1.132 109.868 108.800 -0.106 0.000 2.162 361 G HA2 -0.260 3.701 3.960 0.001 0.000 0.260 361 G HA3 -0.260 3.701 3.960 0.001 0.000 0.260 361 G C 0.205 175.099 174.900 -0.010 0.000 0.976 361 G CA 0.277 45.331 45.100 -0.077 0.000 0.655 361 G HN 0.160 nan 8.290 nan 0.000 0.533 362 V N 1.718 121.584 119.914 -0.079 0.000 2.338 362 V HA 0.423 4.544 4.120 0.001 0.000 0.255 362 V C 1.404 177.428 176.094 -0.117 0.000 1.082 362 V CA -0.197 62.102 62.300 -0.001 0.000 0.951 362 V CB 0.127 31.951 31.823 0.001 0.000 1.102 362 V HN 0.226 nan 8.190 nan 0.000 0.489 363 F N 3.420 123.216 119.950 -0.258 0.000 2.293 363 F HA 0.218 4.745 4.527 0.001 0.000 0.297 363 F C 0.740 176.188 175.800 -0.588 0.000 1.089 363 F CA 0.781 58.476 58.000 -0.508 0.000 1.377 363 F CB -0.050 38.469 39.000 -0.802 0.000 1.051 363 F HN 0.310 nan 8.300 nan 0.000 0.511 364 F N -1.216 118.832 119.950 0.163 0.000 2.563 364 F HA 0.380 4.908 4.527 0.001 0.000 0.316 364 F C 0.443 176.248 175.800 0.008 0.000 1.076 364 F CA -1.677 56.370 58.000 0.079 0.000 0.921 364 F CB 0.741 39.779 39.000 0.062 0.000 1.209 364 F HN -0.526 nan 8.300 nan 0.000 0.462 365 T N 1.984 116.643 114.554 0.176 0.000 2.853 365 T HA 0.192 4.543 4.350 0.001 0.000 0.298 365 T C -0.346 174.354 174.700 0.000 0.000 0.978 365 T CA 0.043 62.163 62.100 0.033 0.000 1.152 365 T CB 0.419 69.315 68.868 0.046 0.000 0.914 365 T HN 0.423 nan 8.240 nan 0.000 0.539 366 Q N 2.892 122.637 119.800 -0.091 0.000 2.331 366 Q HA 0.317 4.657 4.340 0.001 0.000 0.267 366 Q C -1.168 174.698 176.000 -0.223 0.000 1.006 366 Q CA -0.497 55.200 55.803 -0.177 0.000 0.818 366 Q CB 1.071 29.714 28.738 -0.159 0.000 1.276 366 Q HN 0.531 nan 8.270 nan 0.000 0.450 367 D N 2.863 123.116 120.400 -0.245 0.000 2.185 367 D HA 0.212 4.852 4.640 0.001 0.000 0.247 367 D C -0.379 175.714 176.300 -0.345 0.000 1.027 367 D CA -0.170 53.764 54.000 -0.110 0.000 0.861 367 D CB 0.920 41.747 40.800 0.045 0.000 1.202 367 D HN 0.750 nan 8.370 nan 0.000 0.453 368 W N 0.508 121.847 121.300 0.065 0.000 2.870 368 W HA 0.300 4.961 4.660 0.001 0.000 0.358 368 W C 1.003 177.540 176.519 0.029 0.000 1.043 368 W CA -0.392 56.971 57.345 0.029 0.000 1.692 368 W CB 0.354 29.823 29.460 0.014 0.000 1.100 368 W HN 0.577 nan 8.180 nan 0.000 0.557 369 A N 0.783 123.716 122.820 0.187 0.000 2.596 369 A HA -0.247 4.073 4.320 0.001 0.000 0.300 369 A C 1.265 178.930 177.584 0.135 0.000 1.495 369 A CA 1.287 53.401 52.037 0.129 0.000 0.769 369 A CB -1.834 17.220 19.000 0.091 0.000 1.047 369 A HN 0.683 nan 8.150 nan 0.000 0.436 370 S N -3.257 112.534 115.700 0.152 0.000 3.490 370 S HA -0.253 4.218 4.470 0.001 0.000 0.301 370 S C 0.301 174.961 174.600 0.099 0.000 1.233 370 S CA 1.393 59.660 58.200 0.111 0.000 0.914 370 S CB -1.860 61.386 63.200 0.077 0.000 1.047 370 S HN 1.747 nan 8.310 nan 0.000 0.602 371 M N 2.201 121.887 119.600 0.142 0.000 2.219 371 M HA 0.256 4.737 4.480 0.001 0.000 0.353 371 M C -2.373 173.923 176.300 -0.007 0.000 1.304 371 M CA -1.449 53.904 55.300 0.089 0.000 1.115 371 M CB 0.557 33.257 32.600 0.167 0.000 1.664 371 M HN -0.159 nan 8.290 nan 0.000 0.459 372 P HA 0.124 nan 4.420 nan 0.000 0.267 372 P C -0.380 176.832 177.300 -0.148 0.000 1.200 372 P CA -0.102 62.960 63.100 -0.063 0.000 0.772 372 P CB 0.404 32.079 31.700 -0.042 0.000 0.855 373 G N 0.782 109.506 108.800 -0.127 0.000 2.599 373 G HA2 0.418 4.379 3.960 0.001 0.000 0.264 373 G HA3 0.418 4.379 3.960 0.001 0.000 0.264 373 G C -0.903 173.916 174.900 -0.135 0.000 1.200 373 G CA -0.389 44.606 45.100 -0.176 0.000 0.896 373 G HN 0.367 nan 8.290 nan 0.000 0.536 374 V N 1.474 121.298 119.914 -0.150 0.000 2.384 374 V HA 0.198 4.319 4.120 0.001 0.000 0.287 374 V C -0.073 175.993 176.094 -0.047 0.000 1.020 374 V CA -0.901 61.340 62.300 -0.099 0.000 0.850 374 V CB 1.399 33.131 31.823 -0.152 0.000 0.987 374 V HN 0.539 nan 8.190 nan 0.000 0.436 375 L N 9.372 130.593 121.223 -0.004 0.000 2.534 375 L HA 0.253 4.593 4.340 0.001 0.000 0.271 375 L C -1.871 174.945 176.870 -0.091 0.000 1.178 375 L CA -1.259 53.558 54.840 -0.039 0.000 0.907 375 L CB 0.250 42.272 42.059 -0.062 0.000 1.164 375 L HN 0.443 nan 8.230 nan 0.000 0.482 376 P HA 0.110 nan 4.420 nan 0.000 0.276 376 P C -1.019 176.099 177.300 -0.303 0.000 1.230 376 P CA -0.208 62.823 63.100 -0.116 0.000 0.776 376 P CB 1.136 32.843 31.700 0.012 0.000 0.888 377 V N 3.035 122.738 119.914 -0.351 0.000 2.350 377 V HA 0.472 4.592 4.120 0.001 0.000 0.285 377 V C 0.473 176.221 176.094 -0.577 0.000 1.014 377 V CA -0.847 61.168 62.300 -0.476 0.000 0.831 377 V CB 1.192 32.729 31.823 -0.476 0.000 1.000 377 V HN 0.671 nan 8.190 nan 0.000 0.433 378 A N 3.882 126.311 122.820 -0.653 0.000 2.269 378 A HA 0.773 5.094 4.320 0.001 0.000 0.302 378 A C 0.147 177.439 177.584 -0.488 0.000 1.266 378 A CA -0.142 51.542 52.037 -0.588 0.000 0.894 378 A CB 0.766 19.341 19.000 -0.708 0.000 1.147 378 A HN 0.866 nan 8.150 nan 0.000 0.537 379 S N 1.909 117.375 115.700 -0.390 0.000 2.566 379 S HA 0.718 5.189 4.470 0.001 0.000 0.273 379 S C -0.530 173.943 174.600 -0.211 0.000 1.157 379 S CA 0.368 58.375 58.200 -0.322 0.000 0.938 379 S CB 1.079 64.109 63.200 -0.282 0.000 1.087 379 S HN 2.532 nan 8.310 nan 0.000 0.474 380 G N 2.058 110.725 108.800 -0.221 0.000 2.781 380 G HA2 0.456 4.417 3.960 0.001 0.000 0.468 380 G HA3 0.456 4.417 3.960 0.001 0.000 0.468 380 G C 0.789 175.518 174.900 -0.285 0.000 1.186 380 G CA 0.275 45.258 45.100 -0.194 0.000 1.220 380 G HN 2.116 nan 8.290 nan 0.000 0.564 381 G N 0.238 108.892 108.800 -0.244 0.000 2.160 381 G HA2 -0.045 3.915 3.960 0.001 0.000 0.251 381 G HA3 -0.045 3.915 3.960 0.001 0.000 0.251 381 G C 0.595 175.419 174.900 -0.127 0.000 1.008 381 G CA 1.000 45.934 45.100 -0.277 0.000 0.724 381 G HN 2.233 nan 8.290 nan 0.000 0.514 382 I N -1.963 118.512 120.570 -0.158 0.000 2.577 382 I HA 0.947 5.118 4.170 0.001 0.000 0.305 382 I C 0.251 176.519 176.117 0.251 0.000 0.986 382 I CA -1.359 59.890 61.300 -0.085 0.000 1.189 382 I CB 1.579 39.401 38.000 -0.296 0.000 1.355 382 I HN 0.313 nan 8.210 nan 0.000 0.476 383 H N 1.518 120.934 119.070 0.577 0.000 2.959 383 H HA 0.475 5.031 4.556 0.001 0.000 0.296 383 H C 0.670 176.157 175.328 0.264 0.000 1.421 383 H CA -0.441 55.760 56.048 0.255 0.000 1.206 383 H CB 0.423 30.051 29.762 -0.223 0.000 1.891 383 H HN 0.326 nan 8.280 nan 0.000 0.573 384 V N -2.964 117.106 119.914 0.260 0.000 2.380 384 V HA -0.253 3.868 4.120 0.001 0.000 0.251 384 V C 1.459 177.587 176.094 0.056 0.000 1.063 384 V CA 1.875 64.175 62.300 -0.000 0.000 1.055 384 V CB -1.299 30.413 31.823 -0.186 0.000 0.657 384 V HN 0.778 nan 8.190 nan 0.000 0.455 385 W N -0.336 121.121 121.300 0.262 0.000 2.421 385 W HA -0.017 4.644 4.660 0.001 0.000 0.270 385 W C 2.636 179.141 176.519 -0.023 0.000 1.233 385 W CA 1.154 58.551 57.345 0.088 0.000 1.226 385 W CB -0.377 29.149 29.460 0.110 0.000 1.121 385 W HN 0.353 nan 8.180 nan 0.000 0.579 386 H N -0.891 118.349 119.070 0.283 0.000 2.548 386 H HA -0.001 4.556 4.556 0.001 0.000 0.268 386 H C 1.885 177.327 175.328 0.190 0.000 0.975 386 H CA 0.989 57.139 56.048 0.171 0.000 1.195 386 H CB -0.306 29.493 29.762 0.062 0.000 1.397 386 H HN 0.186 nan 8.280 nan 0.000 0.572 387 M N 1.446 121.219 119.600 0.287 0.000 2.108 387 M HA -0.059 4.421 4.480 0.001 0.000 0.261 387 M C -0.997 175.415 176.300 0.185 0.000 1.066 387 M CA 1.536 56.972 55.300 0.226 0.000 1.107 387 M CB -0.722 31.944 32.600 0.111 0.000 1.356 387 M HN 0.046 nan 8.290 nan 0.000 0.406 388 P HA 0.004 nan 4.420 nan 0.000 0.217 388 P C 1.038 178.433 177.300 0.160 0.000 1.151 388 P CA 1.889 65.076 63.100 0.145 0.000 0.828 388 P CB -0.268 31.513 31.700 0.134 0.000 0.788 389 A N -0.443 122.489 122.820 0.186 0.000 1.898 389 A HA -0.125 4.196 4.320 0.001 0.000 0.216 389 A C 2.185 179.862 177.584 0.155 0.000 1.181 389 A CA 1.257 53.397 52.037 0.171 0.000 0.620 389 A CB -1.627 17.491 19.000 0.197 0.000 0.819 389 A HN 0.085 nan 8.150 nan 0.000 0.442 390 L N -0.413 120.937 121.223 0.213 0.000 2.046 390 L HA -0.173 4.167 4.340 0.001 0.000 0.208 390 L C 2.498 179.541 176.870 0.288 0.000 1.077 390 L CA 1.157 56.172 54.840 0.292 0.000 0.747 390 L CB -0.581 41.639 42.059 0.268 0.000 0.896 390 L HN 0.250 nan 8.230 nan 0.000 0.432 391 V N -0.465 119.570 119.914 0.201 0.000 2.427 391 V HA -0.253 3.868 4.120 0.001 0.000 0.248 391 V C 2.438 178.605 176.094 0.122 0.000 1.051 391 V CA 1.713 64.110 62.300 0.162 0.000 1.048 391 V CB -0.401 31.499 31.823 0.129 0.000 0.666 391 V HN 0.462 nan 8.190 nan 0.000 0.456 392 E N 0.033 120.291 120.200 0.096 0.000 2.047 392 E HA -0.181 4.170 4.350 0.001 0.000 0.191 392 E C 2.239 178.829 176.600 -0.016 0.000 0.987 392 E CA 1.400 57.830 56.400 0.051 0.000 0.799 392 E CB -0.082 29.657 29.700 0.064 0.000 0.752 392 E HN 0.584 nan 8.360 nan 0.000 0.449 393 I N -0.213 120.309 120.570 -0.079 0.000 2.179 393 I HA -0.249 3.922 4.170 0.001 0.000 0.242 393 I C 1.739 177.632 176.117 -0.374 0.000 1.088 393 I CA 1.184 62.299 61.300 -0.309 0.000 1.357 393 I CB -0.109 37.559 38.000 -0.554 0.000 1.051 393 I HN 0.106 nan 8.210 nan 0.000 0.409 394 F N 0.173 120.122 119.950 -0.002 0.000 2.622 394 F HA 0.341 4.868 4.527 0.001 0.000 0.288 394 F C 1.571 177.374 175.800 0.005 0.000 1.120 394 F CA 0.566 58.562 58.000 -0.007 0.000 1.423 394 F CB -0.523 38.468 39.000 -0.015 0.000 1.127 394 F HN 0.139 nan 8.300 nan 0.000 0.588 395 G N 0.758 109.661 108.800 0.172 0.000 2.698 395 G HA2 -0.293 3.668 3.960 0.001 0.000 0.233 395 G HA3 -0.293 3.668 3.960 0.001 0.000 0.233 395 G C 0.299 175.272 174.900 0.122 0.000 1.352 395 G CA 0.101 45.272 45.100 0.119 0.000 0.879 395 G HN 0.141 nan 8.290 nan 0.000 0.567 396 D N 0.441 120.897 120.400 0.092 0.000 2.117 396 D HA 0.011 4.652 4.640 0.001 0.000 0.197 396 D C 1.103 177.448 176.300 0.074 0.000 0.987 396 D CA 1.456 55.505 54.000 0.082 0.000 0.829 396 D CB -0.173 40.675 40.800 0.078 0.000 0.961 396 D HN 0.394 nan 8.370 nan 0.000 0.460 397 D N 0.630 121.075 120.400 0.075 0.000 2.608 397 D HA 0.166 4.806 4.640 0.001 0.000 0.224 397 D C -0.071 176.251 176.300 0.038 0.000 1.123 397 D CA 0.100 54.135 54.000 0.058 0.000 1.030 397 D CB -0.168 40.668 40.800 0.060 0.000 1.093 397 D HN 0.038 nan 8.370 nan 0.000 0.497 398 S N -1.288 114.412 115.700 0.001 0.000 2.587 398 S HA 0.598 5.068 4.470 0.001 0.000 0.269 398 S C -1.047 173.483 174.600 -0.117 0.000 1.154 398 S CA -0.920 57.227 58.200 -0.089 0.000 0.824 398 S CB 1.695 64.841 63.200 -0.091 0.000 1.118 398 S HN -0.095 nan 8.310 nan 0.000 0.462 399 V N 1.825 121.609 119.914 -0.218 0.000 2.444 399 V HA 0.504 4.625 4.120 0.001 0.000 0.294 399 V C -0.775 175.185 176.094 -0.222 0.000 1.022 399 V CA -0.610 61.596 62.300 -0.156 0.000 0.850 399 V CB 1.147 32.848 31.823 -0.203 0.000 0.992 399 V HN 0.823 nan 8.190 nan 0.000 0.426 400 L N 4.749 125.897 121.223 -0.125 0.000 2.296 400 L HA 0.634 4.975 4.340 0.001 0.000 0.286 400 L C -0.253 176.473 176.870 -0.239 0.000 1.023 400 L CA -0.345 54.364 54.840 -0.218 0.000 0.812 400 L CB 1.514 43.561 42.059 -0.020 0.000 1.223 400 L HN 0.608 nan 8.230 nan 0.000 0.421 401 Q N 2.789 122.277 119.800 -0.520 0.000 2.330 401 Q HA 0.552 4.893 4.340 0.001 0.000 0.269 401 Q C -1.646 173.977 176.000 -0.629 0.000 1.022 401 Q CA -0.453 55.127 55.803 -0.372 0.000 0.796 401 Q CB 2.174 30.773 28.738 -0.232 0.000 1.271 401 Q HN 0.411 nan 8.270 nan 0.000 0.450 402 F N 1.500 121.418 119.950 -0.053 0.000 2.430 402 F HA 0.401 4.929 4.527 0.001 0.000 0.362 402 F C 0.850 176.625 175.800 -0.042 0.000 1.103 402 F CA -0.641 57.325 58.000 -0.057 0.000 1.045 402 F CB 1.433 40.402 39.000 -0.051 0.000 1.276 402 F HN 0.726 nan 8.300 nan 0.000 0.444 403 G N 1.661 110.497 108.800 0.060 0.000 2.624 403 G HA2 0.066 4.027 3.960 0.001 0.000 0.216 403 G HA3 0.066 4.027 3.960 0.001 0.000 0.216 403 G C 1.739 176.684 174.900 0.076 0.000 1.274 403 G CA 0.593 45.727 45.100 0.056 0.000 0.856 403 G HN 0.767 nan 8.290 nan 0.000 0.555 404 G N 0.577 109.412 108.800 0.059 0.000 2.448 404 G HA2 0.111 4.072 3.960 0.001 0.000 0.219 404 G HA3 0.111 4.072 3.960 0.001 0.000 0.219 404 G C 1.610 176.539 174.900 0.049 0.000 1.127 404 G CA 1.250 46.399 45.100 0.082 0.000 0.766 404 G HN 0.682 nan 8.290 nan 0.000 0.552 405 G N -0.738 108.030 108.800 -0.054 0.000 2.776 405 G HA2 0.195 4.155 3.960 0.001 0.000 0.209 405 G HA3 0.195 4.155 3.960 0.001 0.000 0.209 405 G C 1.288 176.235 174.900 0.078 0.000 1.145 405 G CA 1.415 46.379 45.100 -0.228 0.000 0.791 405 G HN 0.395 nan 8.290 nan 0.000 0.530 406 T N -0.040 114.614 114.554 0.166 0.000 3.174 406 T HA 0.096 4.446 4.350 0.001 0.000 0.252 406 T C 1.959 176.775 174.700 0.194 0.000 0.984 406 T CA -0.130 62.067 62.100 0.161 0.000 1.113 406 T CB -0.007 68.917 68.868 0.093 0.000 1.088 406 T HN 0.058 nan 8.240 nan 0.000 0.442 407 L N 1.515 122.835 121.223 0.161 0.000 2.478 407 L HA 0.291 4.631 4.340 0.001 0.000 0.223 407 L C 2.215 179.205 176.870 0.200 0.000 1.140 407 L CA 0.880 55.805 54.840 0.142 0.000 0.842 407 L CB -0.217 41.895 42.059 0.088 0.000 0.953 407 L HN 0.370 nan 8.230 nan 0.000 0.452 408 G N -2.808 106.177 108.800 0.308 0.000 3.284 408 G HA2 -0.066 3.895 3.960 0.001 0.000 0.236 408 G HA3 -0.066 3.895 3.960 0.001 0.000 0.236 408 G C 0.486 175.595 174.900 0.349 0.000 1.158 408 G CA -0.304 45.017 45.100 0.369 0.000 0.774 408 G HN 0.259 nan 8.290 nan 0.000 0.545 409 H N 1.323 120.529 119.070 0.227 0.000 2.897 409 H HA 0.074 4.631 4.556 0.001 0.000 0.347 409 H C -1.388 173.893 175.328 -0.080 0.000 1.068 409 H CA -0.994 55.037 56.048 -0.028 0.000 1.426 409 H CB 1.885 31.638 29.762 -0.015 0.000 1.410 409 H HN -0.055 nan 8.280 nan 0.000 0.597 410 P HA -0.149 nan 4.420 nan 0.000 0.218 410 P C 0.613 178.101 177.300 0.314 0.000 1.148 410 P CA 1.242 64.255 63.100 -0.146 0.000 0.822 410 P CB 0.078 31.561 31.700 -0.361 0.000 0.784 411 W N -0.760 120.699 121.300 0.265 0.000 3.220 411 W HA 0.532 5.192 4.660 0.001 0.000 0.328 411 W C 1.146 177.738 176.519 0.122 0.000 1.205 411 W CA 0.570 58.027 57.345 0.186 0.000 1.773 411 W CB -0.917 28.652 29.460 0.181 0.000 1.086 411 W HN -0.008 nan 8.180 nan 0.000 0.622 412 G N 1.005 110.009 108.800 0.340 0.000 2.500 412 G HA2 -0.296 3.664 3.960 0.001 0.000 0.209 412 G HA3 -0.296 3.664 3.960 0.001 0.000 0.209 412 G C 0.688 175.641 174.900 0.088 0.000 1.283 412 G CA -0.009 45.195 45.100 0.174 0.000 0.960 412 G HN 0.001 nan 8.290 nan 0.000 0.528 413 N N 0.141 118.859 118.700 0.031 0.000 2.148 413 N HA 0.149 4.890 4.740 0.001 0.000 0.186 413 N C 2.699 178.161 175.510 -0.080 0.000 1.031 413 N CA 2.565 55.605 53.050 -0.017 0.000 0.848 413 N CB -0.729 37.739 38.487 -0.031 0.000 1.005 413 N HN 1.051 nan 8.380 nan 0.000 0.427 414 A N 1.381 124.145 122.820 -0.094 0.000 1.877 414 A HA -0.024 4.296 4.320 0.001 0.000 0.216 414 A C -0.284 177.218 177.584 -0.136 0.000 1.186 414 A CA 1.309 53.273 52.037 -0.121 0.000 0.620 414 A CB -1.502 17.425 19.000 -0.122 0.000 0.822 414 A HN 0.224 nan 8.150 nan 0.000 0.443 415 P HA -0.071 nan 4.420 nan 0.000 0.217 415 P C 1.711 178.623 177.300 -0.647 0.000 1.150 415 P CA 1.650 64.568 63.100 -0.304 0.000 0.832 415 P CB -0.348 31.258 31.700 -0.157 0.000 0.787 416 G N 0.082 108.525 108.800 -0.595 0.000 2.422 416 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 416 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 416 G C 1.618 176.402 174.900 -0.193 0.000 1.146 416 G CA 0.933 45.818 45.100 -0.358 0.000 0.769 416 G HN 0.326 nan 8.290 nan 0.000 0.547 417 A N 0.045 122.767 122.820 -0.165 0.000 1.897 417 A HA 0.064 4.384 4.320 0.001 0.000 0.215 417 A C 2.506 180.006 177.584 -0.140 0.000 1.181 417 A CA 2.249 54.211 52.037 -0.125 0.000 0.620 417 A CB -0.831 18.108 19.000 -0.102 0.000 0.821 417 A HN 0.261 nan 8.150 nan 0.000 0.443 418 T N 0.374 114.839 114.554 -0.149 0.000 2.746 418 T HA -0.058 4.292 4.350 0.001 0.000 0.267 418 T C 2.231 176.839 174.700 -0.154 0.000 1.039 418 T CA 1.632 63.659 62.100 -0.122 0.000 1.142 418 T CB -0.477 68.333 68.868 -0.096 0.000 0.866 418 T HN 0.592 nan 8.240 nan 0.000 0.444 419 A N 2.001 124.695 122.820 -0.210 0.000 1.873 419 A HA -0.238 4.082 4.320 0.001 0.000 0.218 419 A C 2.128 179.579 177.584 -0.222 0.000 1.193 419 A CA 2.317 54.226 52.037 -0.214 0.000 0.629 419 A CB -1.029 17.871 19.000 -0.167 0.000 0.826 419 A HN 0.642 nan 8.150 nan 0.000 0.447 420 N N -1.321 117.230 118.700 -0.248 0.000 2.120 420 N HA -0.170 4.571 4.740 0.001 0.000 0.188 420 N C 1.965 177.341 175.510 -0.223 0.000 1.024 420 N CA 1.404 54.243 53.050 -0.352 0.000 0.852 420 N CB -0.143 38.036 38.487 -0.513 0.000 1.003 420 N HN 0.485 nan 8.380 nan 0.000 0.424 421 R N 1.069 121.482 120.500 -0.146 0.000 2.092 421 R HA 0.013 4.353 4.340 0.001 0.000 0.231 421 R C 1.649 177.923 176.300 -0.043 0.000 1.119 421 R CA 0.981 57.036 56.100 -0.076 0.000 0.970 421 R CB -0.620 29.646 30.300 -0.056 0.000 0.864 421 R HN 0.019 nan 8.270 nan 0.000 0.440 422 V N 0.776 120.654 119.914 -0.061 0.000 2.307 422 V HA -0.134 3.986 4.120 0.001 0.000 0.245 422 V C 2.338 178.398 176.094 -0.058 0.000 1.045 422 V CA 1.819 64.106 62.300 -0.020 0.000 1.024 422 V CB -0.846 30.907 31.823 -0.117 0.000 0.651 422 V HN 0.545 nan 8.190 nan 0.000 0.449 423 A N -0.102 122.633 122.820 -0.141 0.000 1.917 423 A HA -0.248 4.073 4.320 0.001 0.000 0.219 423 A C 2.174 179.724 177.584 -0.057 0.000 1.182 423 A CA 2.363 54.316 52.037 -0.140 0.000 0.633 423 A CB -0.628 18.251 19.000 -0.202 0.000 0.819 423 A HN 0.476 nan 8.150 nan 0.000 0.448 424 L N -0.031 121.166 121.223 -0.043 0.000 1.994 424 L HA -0.147 4.193 4.340 0.001 0.000 0.208 424 L C 2.230 179.122 176.870 0.037 0.000 1.071 424 L CA 2.549 57.396 54.840 0.013 0.000 0.745 424 L CB -0.706 41.364 42.059 0.018 0.000 0.892 424 L HN 0.508 nan 8.230 nan 0.000 0.431 425 E N -0.284 119.941 120.200 0.041 0.000 2.153 425 E HA -0.208 4.143 4.350 0.001 0.000 0.194 425 E C 2.122 178.771 176.600 0.082 0.000 0.988 425 E CA 1.006 57.444 56.400 0.063 0.000 0.811 425 E CB -0.283 29.460 29.700 0.073 0.000 0.746 425 E HN 0.686 nan 8.360 nan 0.000 0.466 426 A N 1.033 123.912 122.820 0.098 0.000 1.877 426 A HA -0.208 4.113 4.320 0.001 0.000 0.216 426 A C 2.480 180.111 177.584 0.078 0.000 1.186 426 A CA 1.319 53.425 52.037 0.115 0.000 0.620 426 A CB -0.936 18.130 19.000 0.109 0.000 0.822 426 A HN 0.356 nan 8.150 nan 0.000 0.443 427 C N -1.260 118.075 119.300 0.059 0.000 2.425 427 C HA -0.054 4.407 4.460 0.001 0.000 0.277 427 C C 2.757 177.787 174.990 0.067 0.000 1.280 427 C CA 1.078 60.133 59.018 0.063 0.000 1.744 427 C CB -1.233 26.547 27.740 0.066 0.000 1.989 427 C HN 0.458 nan 8.230 nan 0.000 0.491 428 V N 0.275 120.228 119.914 0.065 0.000 2.379 428 V HA -0.241 3.880 4.120 0.001 0.000 0.245 428 V C 2.488 178.616 176.094 0.056 0.000 1.044 428 V CA 2.002 64.340 62.300 0.062 0.000 1.036 428 V CB -0.809 31.050 31.823 0.060 0.000 0.664 428 V HN 0.612 nan 8.190 nan 0.000 0.453 429 Q N 0.009 119.843 119.800 0.056 0.000 2.050 429 Q HA -0.213 4.128 4.340 0.001 0.000 0.202 429 Q C 2.296 178.325 176.000 0.048 0.000 0.980 429 Q CA 2.015 57.847 55.803 0.049 0.000 0.840 429 Q CB -0.279 28.489 28.738 0.051 0.000 0.898 429 Q HN 0.614 nan 8.270 nan 0.000 0.424 430 A N 1.283 124.137 122.820 0.056 0.000 1.908 430 A HA -0.240 4.081 4.320 0.001 0.000 0.218 430 A C 2.126 179.740 177.584 0.051 0.000 1.181 430 A CA 1.658 53.728 52.037 0.054 0.000 0.627 430 A CB -0.715 18.321 19.000 0.060 0.000 0.818 430 A HN 0.430 nan 8.150 nan 0.000 0.445 431 R N -0.467 120.065 120.500 0.055 0.000 2.073 431 R HA -0.164 4.176 4.340 0.001 0.000 0.234 431 R C 1.708 178.035 176.300 0.045 0.000 1.134 431 R CA 1.791 57.923 56.100 0.053 0.000 0.952 431 R CB -0.323 30.012 30.300 0.058 0.000 0.850 431 R HN 0.501 nan 8.270 nan 0.000 0.433 432 N N 0.812 119.537 118.700 0.042 0.000 2.244 432 N HA -0.133 4.607 4.740 0.001 0.000 0.183 432 N C 1.121 176.649 175.510 0.030 0.000 1.016 432 N CA 1.216 54.287 53.050 0.035 0.000 0.866 432 N CB -0.015 38.492 38.487 0.033 0.000 0.980 432 N HN 0.417 nan 8.380 nan 0.000 0.430 433 E N -0.955 119.264 120.200 0.032 0.000 2.371 433 E HA 0.110 4.461 4.350 0.001 0.000 0.194 433 E C 0.760 177.377 176.600 0.029 0.000 1.012 433 E CA 0.471 56.887 56.400 0.027 0.000 0.860 433 E CB 0.182 29.899 29.700 0.028 0.000 0.811 433 E HN 0.418 nan 8.360 nan 0.000 0.502 434 G N 1.419 110.239 108.800 0.033 0.000 2.175 434 G HA2 -0.198 3.762 3.960 0.001 0.000 0.182 434 G HA3 -0.198 3.762 3.960 0.001 0.000 0.182 434 G C 0.105 175.028 174.900 0.039 0.000 1.003 434 G CA -0.548 44.572 45.100 0.034 0.000 0.666 434 G HN -0.003 nan 8.290 nan 0.000 0.506 435 R N 0.662 121.188 120.500 0.043 0.000 2.643 435 R HA 0.301 4.642 4.340 0.001 0.000 0.270 435 R C -0.565 175.770 176.300 0.059 0.000 1.061 435 R CA -0.151 55.978 56.100 0.049 0.000 1.107 435 R CB 0.534 30.864 30.300 0.049 0.000 0.999 435 R HN 0.272 nan 8.270 nan 0.000 0.460 436 D N 2.547 122.987 120.400 0.067 0.000 2.339 436 D HA 0.072 4.712 4.640 0.001 0.000 0.241 436 D C 1.133 177.495 176.300 0.103 0.000 1.183 436 D CA -0.166 53.889 54.000 0.093 0.000 0.859 436 D CB 0.666 41.533 40.800 0.112 0.000 1.067 436 D HN 0.402 nan 8.370 nan 0.000 0.484 437 L N 3.567 124.858 121.223 0.112 0.000 2.127 437 L HA -0.178 4.162 4.340 0.001 0.000 0.211 437 L C 1.742 178.697 176.870 0.143 0.000 1.089 437 L CA 0.877 55.786 54.840 0.115 0.000 0.757 437 L CB -0.509 41.620 42.059 0.115 0.000 0.899 437 L HN 0.576 nan 8.230 nan 0.000 0.434 438 Y N 0.869 121.197 120.300 0.046 0.000 2.114 438 Y HA -0.276 4.274 4.550 0.001 0.000 0.284 438 Y C 2.882 178.809 175.900 0.045 0.000 1.143 438 Y CA 1.820 59.946 58.100 0.043 0.000 1.135 438 Y CB -0.250 38.227 38.460 0.028 0.000 0.980 438 Y HN -0.034 nan 8.280 nan 0.000 0.499 439 R N 0.145 120.597 120.500 -0.080 0.000 2.075 439 R HA -0.051 4.289 4.340 0.001 0.000 0.226 439 R C 1.312 177.559 176.300 -0.089 0.000 1.114 439 R CA 1.700 57.699 56.100 -0.169 0.000 0.972 439 R CB -0.055 30.240 30.300 -0.008 0.000 0.869 439 R HN 0.491 nan 8.270 nan 0.000 0.437 440 E N -1.178 119.017 120.200 -0.010 0.000 2.501 440 E HA 0.108 4.458 4.350 0.001 0.000 0.201 440 E C 1.319 177.943 176.600 0.039 0.000 1.016 440 E CA 0.165 56.575 56.400 0.017 0.000 0.920 440 E CB 1.030 30.751 29.700 0.034 0.000 1.023 440 E HN 0.456 nan 8.360 nan 0.000 0.474 441 G N 1.726 110.552 108.800 0.044 0.000 2.459 441 G HA2 -0.281 3.680 3.960 0.001 0.000 0.217 441 G HA3 -0.281 3.680 3.960 0.001 0.000 0.217 441 G C 1.528 176.494 174.900 0.110 0.000 1.183 441 G CA 0.881 46.029 45.100 0.081 0.000 0.776 441 G HN 0.384 nan 8.290 nan 0.000 0.552 442 G N 0.247 109.141 108.800 0.156 0.000 2.432 442 G HA2 -0.132 3.829 3.960 0.001 0.000 0.219 442 G HA3 -0.132 3.829 3.960 0.001 0.000 0.219 442 G C 1.481 176.483 174.900 0.169 0.000 1.135 442 G CA 1.225 46.498 45.100 0.289 0.000 0.767 442 G HN 0.356 nan 8.290 nan 0.000 0.550 443 D N 0.609 121.065 120.400 0.093 0.000 2.123 443 D HA -0.038 4.603 4.640 0.001 0.000 0.200 443 D C 2.596 178.921 176.300 0.042 0.000 0.976 443 D CA 0.433 54.470 54.000 0.061 0.000 0.831 443 D CB -0.015 40.811 40.800 0.045 0.000 0.974 443 D HN 0.343 nan 8.370 nan 0.000 0.469 444 I N 1.048 121.643 120.570 0.042 0.000 2.208 444 I HA -0.258 3.912 4.170 0.001 0.000 0.245 444 I C 2.497 178.607 176.117 -0.012 0.000 1.097 444 I CA 0.783 62.104 61.300 0.035 0.000 1.363 444 I CB -0.150 37.876 38.000 0.044 0.000 1.051 444 I HN -0.028 nan 8.210 nan 0.000 0.413 445 L N -0.095 121.096 121.223 -0.054 0.000 2.056 445 L HA -0.166 4.175 4.340 0.001 0.000 0.207 445 L C 2.758 179.496 176.870 -0.219 0.000 1.078 445 L CA 1.326 56.053 54.840 -0.190 0.000 0.749 445 L CB -0.476 41.388 42.059 -0.324 0.000 0.901 445 L HN 0.154 nan 8.230 nan 0.000 0.433 446 R N -0.104 120.331 120.500 -0.109 0.000 2.092 446 R HA -0.142 4.198 4.340 0.001 0.000 0.231 446 R C 2.168 178.422 176.300 -0.076 0.000 1.119 446 R CA 1.162 57.216 56.100 -0.076 0.000 0.970 446 R CB -0.138 30.176 30.300 0.024 0.000 0.864 446 R HN 0.411 nan 8.270 nan 0.000 0.440 447 E N 0.418 120.601 120.200 -0.028 0.000 2.058 447 E HA -0.203 4.148 4.350 0.001 0.000 0.194 447 E C 2.007 178.594 176.600 -0.022 0.000 0.997 447 E CA 1.413 57.831 56.400 0.030 0.000 0.801 447 E CB -0.123 29.631 29.700 0.089 0.000 0.746 447 E HN 0.357 nan 8.360 nan 0.000 0.450 448 A N 0.871 123.606 122.820 -0.142 0.000 1.969 448 A HA -0.065 4.255 4.320 0.001 0.000 0.218 448 A C 2.369 179.348 177.584 -1.008 0.000 1.169 448 A CA 1.476 53.170 52.037 -0.571 0.000 0.635 448 A CB -0.871 17.908 19.000 -0.369 0.000 0.810 448 A HN 0.360 nan 8.150 nan 0.000 0.445 449 G N -0.615 107.863 108.800 -0.538 0.000 2.509 449 G HA2 -0.155 3.806 3.960 0.001 0.000 0.218 449 G HA3 -0.155 3.806 3.960 0.001 0.000 0.218 449 G C 1.545 176.251 174.900 -0.323 0.000 1.124 449 G CA 1.005 45.840 45.100 -0.441 0.000 0.776 449 G HN 0.552 nan 8.290 nan 0.000 0.547 450 K N -0.081 120.170 120.400 -0.248 0.000 2.097 450 K HA -0.029 4.292 4.320 0.001 0.000 0.205 450 K C 1.984 178.594 176.600 0.016 0.000 1.050 450 K CA 1.512 57.763 56.287 -0.060 0.000 0.938 450 K CB -0.132 32.403 32.500 0.059 0.000 0.718 450 K HN 0.740 nan 8.250 nan 0.000 0.442 451 W N -1.623 119.670 121.300 -0.012 0.000 3.127 451 W HA 0.377 5.038 4.660 0.001 0.000 0.344 451 W C -0.068 176.449 176.519 -0.003 0.000 1.151 451 W CA -0.408 56.935 57.345 -0.005 0.000 1.765 451 W CB -0.017 29.439 29.460 -0.007 0.000 1.085 451 W HN -0.167 nan 8.180 nan 0.000 0.596 452 S N 3.609 119.056 115.700 -0.423 0.000 2.622 452 S HA 0.333 4.803 4.470 0.001 0.000 0.283 452 S C -1.060 173.411 174.600 -0.215 0.000 1.197 452 S CA -1.397 56.601 58.200 -0.337 0.000 1.146 452 S CB 1.179 63.958 63.200 -0.703 0.000 1.007 452 S HN -0.249 nan 8.310 nan 0.000 0.478 453 P HA -0.146 nan 4.420 nan 0.000 0.218 453 P C 1.208 178.416 177.300 -0.154 0.000 1.149 453 P CA 1.097 64.215 63.100 0.030 0.000 0.817 453 P CB 0.133 31.992 31.700 0.265 0.000 0.785 454 E N 0.069 120.168 120.200 -0.168 0.000 2.152 454 E HA -0.126 4.225 4.350 0.001 0.000 0.192 454 E C 2.108 178.546 176.600 -0.270 0.000 0.983 454 E CA 0.665 56.828 56.400 -0.395 0.000 0.818 454 E CB -1.366 28.192 29.700 -0.238 0.000 0.758 454 E HN 0.190 nan 8.360 nan 0.000 0.467 455 L N 1.679 122.735 121.223 -0.278 0.000 2.056 455 L HA 0.013 4.353 4.340 0.001 0.000 0.207 455 L C 2.445 179.117 176.870 -0.330 0.000 1.078 455 L CA 2.016 56.672 54.840 -0.307 0.000 0.749 455 L CB -0.880 40.942 42.059 -0.395 0.000 0.901 455 L HN 0.125 nan 8.230 nan 0.000 0.433 456 A N -0.386 122.244 122.820 -0.315 0.000 1.902 456 A HA -0.113 4.208 4.320 0.001 0.000 0.217 456 A C 2.443 179.847 177.584 -0.301 0.000 1.181 456 A CA 1.815 53.690 52.037 -0.270 0.000 0.623 456 A CB -1.166 17.721 19.000 -0.189 0.000 0.818 456 A HN 0.575 nan 8.150 nan 0.000 0.443 457 A N -0.472 122.096 122.820 -0.420 0.000 1.969 457 A HA 0.222 4.542 4.320 0.001 0.000 0.218 457 A C 2.398 179.589 177.584 -0.654 0.000 1.169 457 A CA 1.905 53.590 52.037 -0.586 0.000 0.635 457 A CB -0.720 17.651 19.000 -1.048 0.000 0.810 457 A HN 0.963 nan 8.150 nan 0.000 0.445 458 A N -0.321 122.181 122.820 -0.530 0.000 1.898 458 A HA 0.141 4.462 4.320 0.001 0.000 0.214 458 A C 2.100 179.509 177.584 -0.292 0.000 1.183 458 A CA 1.068 52.834 52.037 -0.452 0.000 0.622 458 A CB -0.511 18.455 19.000 -0.057 0.000 0.824 458 A HN 0.424 nan 8.150 nan 0.000 0.444 459 L N -0.215 120.828 121.223 -0.300 0.000 2.012 459 L HA -0.235 4.106 4.340 0.001 0.000 0.210 459 L C 2.180 179.121 176.870 0.119 0.000 1.073 459 L CA 1.607 56.294 54.840 -0.256 0.000 0.748 459 L CB -0.726 41.069 42.059 -0.440 0.000 0.891 459 L HN 0.355 nan 8.230 nan 0.000 0.431 460 D N 0.008 120.356 120.400 -0.086 0.000 2.104 460 D HA -0.207 4.434 4.640 0.001 0.000 0.194 460 D C 2.113 178.311 176.300 -0.170 0.000 0.994 460 D CA 1.320 55.264 54.000 -0.093 0.000 0.830 460 D CB -0.106 40.592 40.800 -0.170 0.000 0.959 460 D HN 0.149 nan 8.370 nan 0.000 0.452 461 L N -0.373 120.610 121.223 -0.399 0.000 2.093 461 L HA -0.111 4.230 4.340 0.001 0.000 0.208 461 L C 1.318 177.872 176.870 -0.527 0.000 1.085 461 L CA 1.375 55.834 54.840 -0.635 0.000 0.755 461 L CB -0.266 41.067 42.059 -1.211 0.000 0.904 461 L HN 0.155 nan 8.230 nan 0.000 0.435 462 W N -0.696 120.546 121.300 -0.096 0.000 2.991 462 W HA 0.235 4.895 4.660 0.001 0.000 0.391 462 W C 1.889 178.317 176.519 -0.152 0.000 1.054 462 W CA -0.521 56.684 57.345 -0.233 0.000 1.856 462 W CB -0.321 28.761 29.460 -0.629 0.000 1.132 462 W HN 0.218 nan 8.180 nan 0.000 0.601 463 K N 1.130 121.602 120.400 0.120 0.000 2.089 463 K HA -0.207 4.114 4.320 0.001 0.000 0.210 463 K C 1.302 177.713 176.600 -0.315 0.000 1.048 463 K CA 1.582 57.736 56.287 -0.221 0.000 0.926 463 K CB 0.272 32.706 32.500 -0.111 0.000 0.714 463 K HN -0.083 nan 8.250 nan 0.000 0.448 464 E N 0.183 120.294 120.200 -0.148 0.000 2.479 464 E HA 0.011 4.361 4.350 0.001 0.000 0.193 464 E C -0.112 176.426 176.600 -0.103 0.000 1.049 464 E CA 0.126 56.445 56.400 -0.135 0.000 0.870 464 E CB 0.441 30.085 29.700 -0.094 0.000 0.944 464 E HN 0.234 nan 8.360 nan 0.000 0.492 465 I N 2.280 122.824 120.570 -0.042 0.000 2.281 465 I HA 0.178 4.348 4.170 0.001 0.000 0.293 465 I C 0.108 176.179 176.117 -0.076 0.000 1.085 465 I CA -0.205 61.076 61.300 -0.032 0.000 1.257 465 I CB 0.071 38.148 38.000 0.129 0.000 1.430 465 I HN -0.297 nan 8.210 nan 0.000 0.489 466 K N 5.492 125.724 120.400 -0.281 0.000 2.328 466 K HA 0.660 4.981 4.320 0.001 0.000 0.246 466 K C -1.173 175.105 176.600 -0.538 0.000 0.955 466 K CA -0.383 55.750 56.287 -0.256 0.000 0.817 466 K CB 2.146 34.577 32.500 -0.115 0.000 1.208 466 K HN 0.135 nan 8.250 nan 0.000 0.432 467 F N 1.205 121.247 119.950 0.152 0.000 2.430 467 F HA 0.339 4.866 4.527 0.001 0.000 0.362 467 F C -0.280 175.580 175.800 0.099 0.000 1.103 467 F CA -0.505 57.603 58.000 0.181 0.000 1.045 467 F CB 1.583 40.723 39.000 0.232 0.000 1.276 467 F HN 0.373 nan 8.300 nan 0.000 0.444 468 E N 3.676 123.842 120.200 -0.056 0.000 2.518 468 E HA 0.450 4.801 4.350 0.001 0.000 0.240 468 E C -1.362 175.008 176.600 -0.382 0.000 0.996 468 E CA -0.235 56.090 56.400 -0.125 0.000 0.768 468 E CB 0.926 30.534 29.700 -0.152 0.000 1.329 468 E HN 0.354 nan 8.360 nan 0.000 0.408 469 F N 0.254 120.258 119.950 0.090 0.000 2.631 469 F HA 0.325 4.853 4.527 0.001 0.000 0.328 469 F C 0.567 176.402 175.800 0.058 0.000 1.067 469 F CA -1.062 56.981 58.000 0.070 0.000 0.969 469 F CB 1.128 40.174 39.000 0.076 0.000 1.332 469 F HN 0.106 nan 8.300 nan 0.000 0.490 470 E N 0.929 121.282 120.200 0.254 0.000 2.366 470 E HA 0.023 4.374 4.350 0.001 0.000 0.266 470 E C -0.481 176.206 176.600 0.145 0.000 1.015 470 E CA -0.049 56.443 56.400 0.154 0.000 0.906 470 E CB 0.879 30.651 29.700 0.120 0.000 0.979 470 E HN 0.615 nan 8.360 nan 0.000 0.443 471 T N 5.266 119.891 114.554 0.117 0.000 2.761 471 T HA 0.087 4.438 4.350 0.001 0.000 0.296 471 T C 1.508 176.261 174.700 0.089 0.000 0.934 471 T CA -0.791 61.371 62.100 0.104 0.000 1.091 471 T CB 0.430 69.359 68.868 0.102 0.000 0.896 471 T HN 0.467 nan 8.240 nan 0.000 0.515 472 M N 3.097 122.744 119.600 0.077 0.000 2.175 472 M HA 0.039 4.519 4.480 0.001 0.000 0.264 472 M C 1.192 177.545 176.300 0.088 0.000 1.063 472 M CA 0.951 56.293 55.300 0.070 0.000 1.119 472 M CB -1.294 31.337 32.600 0.050 0.000 1.377 472 M HN 0.589 nan 8.290 nan 0.000 0.415 473 D N 2.540 123.002 120.400 0.103 0.000 2.688 473 D HA 0.112 4.752 4.640 0.001 0.000 0.228 473 D C -0.474 175.925 176.300 0.163 0.000 1.116 473 D CA 0.039 54.126 54.000 0.144 0.000 1.023 473 D CB -0.100 40.791 40.800 0.153 0.000 1.100 473 D HN 0.190 nan 8.370 nan 0.000 0.487 474 K N 1.196 121.677 120.400 0.135 0.000 2.270 474 K HA 0.247 4.567 4.320 0.001 0.000 0.276 474 K C 0.701 177.388 176.600 0.146 0.000 1.023 474 K CA -0.651 55.709 56.287 0.121 0.000 0.955 474 K CB 1.517 34.071 32.500 0.090 0.000 0.975 474 K HN 0.199 nan 8.250 nan 0.000 0.471 475 L N 0.000 121.302 121.223 0.131 0.000 2.949 475 L HA 0.000 4.341 4.340 0.001 0.000 0.249 475 L CA 0.000 54.923 54.840 0.138 0.000 0.813 475 L CB 0.000 42.109 42.059 0.083 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502