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 1vfh_1_A DATA FIRST_RESID 3 DATA SEQUENCE ETPTRVYAEI DLDAVRANVR ALRARAPRSA LMAVVKSNAY GHGAVPCARA DATA SEQUENCE AQEAGAAWLG TATPEEALEL RAAGIQGRIM CWLWTPGGPW REAIETDIDV DATA SEQUENCE SVSGMWALDE VRAAARAAGR TARIQLXADT GLGRNGCQPA DWAELVGAAV DATA SEQUENCE AAQAEGTVQV TGVWSHFACA DEPGHPSIRL QLDAFRDMLA YAEKEGVDPE DATA SEQUENCE VRHIANSPAT LTLPETHFDL VRTGLAVYGV SPSPELGTPA QLGLRPAMTL DATA SEQUENCE RASLALVKTV PAGHGVSYGH HYVTESETHL ALVPAGYADG IPRNASGRGP DATA SEQUENCE VLVAGKIRRA AGRIAMDQFV VDLGEDLAEA GDEAVILGDA ERGEPTAEDW DATA SEQUENCE AQAAHTIAYE IVTRIGGRVP RVYLGGLEHH HH 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.526 176.600 -0.123 0.000 1.382 3 E CA 0.000 56.360 56.400 -0.066 0.000 0.976 3 E CB 0.000 29.670 29.700 -0.050 0.000 0.812 4 T N 3.327 117.787 114.554 -0.157 0.000 2.890 4 T HA 0.566 4.957 4.350 0.068 0.000 0.295 4 T C -2.837 171.694 174.700 -0.281 0.000 0.993 4 T CA -1.206 60.724 62.100 -0.284 0.000 0.979 4 T CB 1.960 70.672 68.868 -0.260 0.000 0.967 4 T HN -0.115 nan 8.240 nan 0.000 0.441 5 P HA 0.125 nan 4.420 nan 0.000 0.264 5 P C 0.954 178.194 177.300 -0.100 0.000 1.183 5 P CA -0.129 62.859 63.100 -0.187 0.000 0.763 5 P CB 0.382 32.009 31.700 -0.121 0.000 0.807 6 T N -0.497 114.038 114.554 -0.032 0.000 3.069 6 T HA 0.143 4.533 4.350 0.068 0.000 0.252 6 T C 1.338 176.055 174.700 0.028 0.000 1.053 6 T CA -0.017 62.082 62.100 -0.001 0.000 0.964 6 T CB 0.296 69.154 68.868 -0.017 0.000 1.005 6 T HN 0.285 nan 8.240 nan 0.000 0.532 7 R N 0.140 120.666 120.500 0.043 0.000 2.049 7 R HA 0.558 4.939 4.340 0.068 0.000 0.202 7 R C -0.424 175.906 176.300 0.050 0.000 1.306 7 R CA 0.358 56.475 56.100 0.029 0.000 1.107 7 R CB 0.457 30.763 30.300 0.009 0.000 0.996 7 R HN 0.246 nan 8.270 nan 0.000 0.469 8 V N 1.055 121.019 119.914 0.084 0.000 2.924 8 V HA 0.470 4.631 4.120 0.068 0.000 0.300 8 V C -2.116 174.062 176.094 0.140 0.000 1.227 8 V CA -0.738 61.596 62.300 0.056 0.000 0.954 8 V CB 2.003 33.813 31.823 -0.021 0.000 1.055 8 V HN 0.453 nan 8.190 nan 0.000 0.429 9 Y N 3.550 123.804 120.300 -0.076 0.000 2.609 9 Y HA 0.934 5.525 4.550 0.067 0.000 0.336 9 Y C -0.635 175.195 175.900 -0.117 0.000 1.129 9 Y CA -0.778 57.267 58.100 -0.093 0.000 1.040 9 Y CB 1.472 39.881 38.460 -0.085 0.000 1.310 9 Y HN 0.988 nan 8.280 nan 0.000 0.460 10 A N 1.960 124.741 122.820 -0.065 0.000 2.273 10 A HA 0.505 4.866 4.320 0.068 0.000 0.315 10 A C -0.822 176.681 177.584 -0.135 0.000 1.256 10 A CA -0.655 51.269 52.037 -0.188 0.000 0.851 10 A CB 0.648 19.524 19.000 -0.207 0.000 1.172 10 A HN 0.759 nan 8.150 nan 0.000 0.508 11 E N 3.367 123.478 120.200 -0.149 0.000 2.167 11 E HA 0.397 4.787 4.350 0.068 0.000 0.284 11 E C -0.932 175.583 176.600 -0.142 0.000 1.016 11 E CA -0.499 55.846 56.400 -0.091 0.000 0.817 11 E CB 0.518 30.213 29.700 -0.009 0.000 1.080 11 E HN 0.518 nan 8.360 nan 0.000 0.397 12 I N 4.410 124.849 120.570 -0.218 0.000 2.328 12 I HA 0.132 4.342 4.170 0.068 0.000 0.287 12 I C -0.141 175.995 176.117 0.031 0.000 1.012 12 I CA -0.716 60.532 61.300 -0.085 0.000 1.195 12 I CB 0.986 38.910 38.000 -0.128 0.000 1.350 12 I HN 0.558 nan 8.210 nan 0.000 0.464 13 D N 6.303 126.745 120.400 0.071 0.000 2.374 13 D HA 0.095 4.775 4.640 0.068 0.000 0.240 13 D C 0.941 177.307 176.300 0.111 0.000 1.229 13 D CA -0.308 53.737 54.000 0.075 0.000 0.895 13 D CB 0.995 41.828 40.800 0.055 0.000 1.046 13 D HN 0.219 nan 8.370 nan 0.000 0.498 14 L N 3.364 124.666 121.223 0.131 0.000 2.275 14 L HA -0.067 4.314 4.340 0.068 0.000 0.215 14 L C 1.567 178.493 176.870 0.093 0.000 1.119 14 L CA 1.181 56.102 54.840 0.135 0.000 0.790 14 L CB -0.393 41.773 42.059 0.178 0.000 0.919 14 L HN 0.371 nan 8.230 nan 0.000 0.443 15 D N -0.918 119.530 120.400 0.081 0.000 2.183 15 D HA -0.023 4.658 4.640 0.068 0.000 0.203 15 D C 2.211 178.533 176.300 0.037 0.000 0.969 15 D CA 1.131 55.167 54.000 0.059 0.000 0.842 15 D CB 0.190 41.022 40.800 0.052 0.000 0.957 15 D HN 0.280 nan 8.370 nan 0.000 0.484 16 A N 0.318 123.161 122.820 0.038 0.000 1.969 16 A HA -0.085 4.275 4.320 0.068 0.000 0.218 16 A C 2.416 179.997 177.584 -0.005 0.000 1.169 16 A CA 0.831 52.880 52.037 0.021 0.000 0.635 16 A CB -0.509 18.513 19.000 0.037 0.000 0.810 16 A HN 0.126 nan 8.150 nan 0.000 0.445 17 V N 0.329 120.243 119.914 0.000 0.000 2.307 17 V HA -0.269 3.892 4.120 0.068 0.000 0.245 17 V C 2.630 178.683 176.094 -0.069 0.000 1.045 17 V CA 2.221 64.488 62.300 -0.056 0.000 1.024 17 V CB -0.830 30.977 31.823 -0.025 0.000 0.651 17 V HN 0.555 nan 8.190 nan 0.000 0.449 18 R N 0.544 121.029 120.500 -0.026 0.000 2.081 18 R HA -0.102 4.279 4.340 0.068 0.000 0.235 18 R C 2.418 178.704 176.300 -0.023 0.000 1.131 18 R CA 1.484 57.572 56.100 -0.019 0.000 0.960 18 R CB -0.660 29.653 30.300 0.021 0.000 0.856 18 R HN 0.520 nan 8.270 nan 0.000 0.436 19 A N 1.730 124.541 122.820 -0.016 0.000 1.930 19 A HA -0.156 4.205 4.320 0.068 0.000 0.217 19 A C 1.733 179.296 177.584 -0.035 0.000 1.175 19 A CA 1.359 53.386 52.037 -0.016 0.000 0.627 19 A CB -0.364 18.632 19.000 -0.006 0.000 0.815 19 A HN 0.232 nan 8.150 nan 0.000 0.443 20 N N 0.207 118.872 118.700 -0.057 0.000 2.142 20 N HA -0.138 4.642 4.740 0.068 0.000 0.186 20 N C 1.881 177.336 175.510 -0.093 0.000 1.023 20 N CA 1.815 54.815 53.050 -0.083 0.000 0.852 20 N CB -0.722 37.690 38.487 -0.125 0.000 0.998 20 N HN 0.497 nan 8.380 nan 0.000 0.424 21 V N 0.255 120.108 119.914 -0.101 0.000 2.626 21 V HA -0.071 4.090 4.120 0.068 0.000 0.252 21 V C 2.023 178.083 176.094 -0.057 0.000 1.067 21 V CA 1.241 63.486 62.300 -0.093 0.000 1.081 21 V CB -0.267 31.499 31.823 -0.094 0.000 0.686 21 V HN 0.125 nan 8.190 nan 0.000 0.468 22 R N 0.762 121.237 120.500 -0.042 0.000 2.075 22 R HA 0.186 4.566 4.340 0.068 0.000 0.226 22 R C 2.617 178.903 176.300 -0.023 0.000 1.114 22 R CA 1.372 57.458 56.100 -0.024 0.000 0.972 22 R CB -0.732 29.560 30.300 -0.014 0.000 0.869 22 R HN 0.594 nan 8.270 nan 0.000 0.437 23 A N 1.219 124.022 122.820 -0.028 0.000 1.933 23 A HA -0.126 4.234 4.320 0.068 0.000 0.218 23 A C 2.127 179.695 177.584 -0.026 0.000 1.175 23 A CA 1.224 53.247 52.037 -0.023 0.000 0.628 23 A CB -0.473 18.512 19.000 -0.025 0.000 0.814 23 A HN 0.177 nan 8.150 nan 0.000 0.444 24 L N -1.699 119.498 121.223 -0.043 0.000 2.131 24 L HA -0.061 4.320 4.340 0.068 0.000 0.206 24 L C 2.785 179.625 176.870 -0.050 0.000 1.087 24 L CA 0.969 55.779 54.840 -0.051 0.000 0.767 24 L CB -0.332 41.683 42.059 -0.074 0.000 0.917 24 L HN 0.318 nan 8.230 nan 0.000 0.441 25 R N -0.167 120.309 120.500 -0.040 0.000 2.120 25 R HA -0.109 4.271 4.340 0.068 0.000 0.234 25 R C 2.307 178.597 176.300 -0.017 0.000 1.123 25 R CA 1.232 57.313 56.100 -0.031 0.000 0.975 25 R CB -0.264 30.025 30.300 -0.018 0.000 0.866 25 R HN 0.332 nan 8.270 nan 0.000 0.446 26 A N 0.199 123.014 122.820 -0.009 0.000 2.066 26 A HA -0.099 4.261 4.320 0.068 0.000 0.218 26 A C 1.956 179.550 177.584 0.016 0.000 1.157 26 A CA 0.960 53.000 52.037 0.005 0.000 0.670 26 A CB -0.146 18.857 19.000 0.005 0.000 0.804 26 A HN 0.063 nan 8.150 nan 0.000 0.453 27 R N -0.344 120.161 120.500 0.008 0.000 2.115 27 R HA 0.153 4.533 4.340 0.068 0.000 0.226 27 R C 0.743 177.086 176.300 0.073 0.000 1.100 27 R CA 1.221 57.344 56.100 0.038 0.000 0.980 27 R CB -0.279 30.033 30.300 0.021 0.000 0.875 27 R HN 0.358 nan 8.270 nan 0.000 0.445 28 A N 0.352 123.157 122.820 -0.024 0.000 3.105 28 A HA 0.370 4.730 4.320 0.068 0.000 0.336 28 A C -2.060 175.530 177.584 0.010 0.000 1.042 28 A CA -1.205 50.799 52.037 -0.054 0.000 0.851 28 A CB 0.693 19.403 19.000 -0.483 0.000 1.068 28 A HN 0.032 nan 8.150 nan 0.000 0.477 29 P HA -0.178 nan 4.420 nan 0.000 0.216 29 P C 1.228 178.558 177.300 0.050 0.000 1.150 29 P CA 1.094 64.220 63.100 0.043 0.000 0.837 29 P CB 0.352 32.078 31.700 0.044 0.000 0.786 30 R N -0.109 120.435 120.500 0.073 0.000 2.236 30 R HA 0.128 4.509 4.340 0.068 0.000 0.208 30 R C 0.929 177.276 176.300 0.078 0.000 1.036 30 R CA 0.535 56.678 56.100 0.072 0.000 1.001 30 R CB -0.435 29.910 30.300 0.076 0.000 0.896 30 R HN 0.232 nan 8.270 nan 0.000 0.464 31 S N -0.855 114.888 115.700 0.072 0.000 2.718 31 S HA 0.748 5.258 4.470 0.068 0.000 0.300 31 S C -0.381 174.238 174.600 0.031 0.000 1.117 31 S CA -0.726 57.511 58.200 0.061 0.000 1.002 31 S CB 1.962 65.196 63.200 0.057 0.000 1.092 31 S HN 0.245 nan 8.310 nan 0.000 0.542 32 A N 1.243 124.084 122.820 0.034 0.000 2.279 32 A HA 0.702 5.062 4.320 0.068 0.000 0.303 32 A C -0.806 176.780 177.584 0.002 0.000 1.108 32 A CA -0.562 51.503 52.037 0.047 0.000 0.830 32 A CB 0.356 19.422 19.000 0.111 0.000 1.106 32 A HN 0.659 nan 8.150 nan 0.000 0.493 33 L N 2.524 123.765 121.223 0.030 0.000 2.296 33 L HA 0.544 4.925 4.340 0.068 0.000 0.286 33 L C -0.539 176.360 176.870 0.049 0.000 1.023 33 L CA -0.282 54.558 54.840 0.000 0.000 0.812 33 L CB 1.063 43.113 42.059 -0.015 0.000 1.223 33 L HN 0.925 nan 8.230 nan 0.000 0.421 34 M N 5.175 124.779 119.600 0.006 0.000 2.101 34 M HA 0.542 5.063 4.480 0.068 0.000 0.340 34 M C -0.610 175.716 176.300 0.042 0.000 1.057 34 M CA -0.521 54.821 55.300 0.070 0.000 0.984 34 M CB 1.410 33.998 32.600 -0.020 0.000 1.560 34 M HN 0.758 nan 8.290 nan 0.000 0.435 35 A N 5.475 128.324 122.820 0.047 0.000 2.302 35 A HA 0.529 4.890 4.320 0.068 0.000 0.295 35 A C -0.563 177.058 177.584 0.061 0.000 1.235 35 A CA -0.574 51.459 52.037 -0.006 0.000 0.876 35 A CB 0.137 19.109 19.000 -0.046 0.000 1.133 35 A HN 0.690 nan 8.150 nan 0.000 0.533 36 V N 4.497 124.465 119.914 0.091 0.000 2.389 36 V HA 0.200 4.360 4.120 0.068 0.000 0.264 36 V C 0.929 177.186 176.094 0.271 0.000 1.049 36 V CA 0.200 62.638 62.300 0.230 0.000 0.932 36 V CB 0.980 33.022 31.823 0.366 0.000 1.011 36 V HN 0.924 nan 8.190 nan 0.000 0.475 37 V N 2.369 122.428 119.914 0.241 0.000 3.043 37 V HA 0.303 4.463 4.120 0.068 0.000 0.357 37 V C 0.693 176.930 176.094 0.239 0.000 1.372 37 V CA -0.702 61.765 62.300 0.278 0.000 1.214 37 V CB -0.791 31.129 31.823 0.162 0.000 1.224 37 V HN 0.868 nan 8.190 nan 0.000 0.507 38 K N -0.291 120.269 120.400 0.266 0.000 2.336 38 K HA 0.404 4.765 4.320 0.068 0.000 0.262 38 K C 0.529 177.179 176.600 0.082 0.000 0.992 38 K CA 0.569 56.924 56.287 0.112 0.000 0.927 38 K CB 0.321 32.882 32.500 0.101 0.000 0.956 38 K HN 0.206 nan 8.250 nan 0.000 0.495 39 S N 1.170 116.864 115.700 -0.010 0.000 3.711 39 S HA -0.190 4.321 4.470 0.068 0.000 0.374 39 S C -0.224 174.379 174.600 0.004 0.000 0.969 39 S CA 1.031 59.208 58.200 -0.039 0.000 1.198 39 S CB -1.933 61.196 63.200 -0.119 0.000 0.903 39 S HN 1.041 nan 8.310 nan 0.000 0.493 40 N N -0.395 118.320 118.700 0.025 0.000 2.740 40 N HA -0.223 4.557 4.740 0.068 0.000 0.248 40 N C 0.292 175.853 175.510 0.086 0.000 1.062 40 N CA 1.808 54.885 53.050 0.046 0.000 0.704 40 N CB -1.570 36.932 38.487 0.025 0.000 0.968 40 N HN 2.014 nan 8.380 nan 0.000 0.547 41 A N 0.002 122.907 122.820 0.141 0.000 2.667 41 A HA -0.211 4.149 4.320 0.068 0.000 0.298 41 A C 0.717 178.306 177.584 0.010 0.000 1.483 41 A CA 1.282 53.419 52.037 0.166 0.000 0.738 41 A CB -2.377 16.709 19.000 0.144 0.000 1.067 41 A HN 1.339 nan 8.150 nan 0.000 0.451 42 Y N -2.965 117.252 120.300 -0.137 0.000 3.721 42 Y HA -0.148 4.442 4.550 0.067 0.000 0.218 42 Y C 2.019 177.889 175.900 -0.050 0.000 1.188 42 Y CA 2.082 60.111 58.100 -0.119 0.000 1.607 42 Y CB -1.679 36.613 38.460 -0.280 0.000 1.496 42 Y HN 2.433 nan 8.280 nan 0.000 0.626 43 G N -1.954 106.883 108.800 0.063 0.000 2.175 43 G HA2 -0.369 3.631 3.960 0.068 0.000 0.244 43 G HA3 -0.369 3.631 3.960 0.068 0.000 0.244 43 G C 0.481 175.317 174.900 -0.108 0.000 0.982 43 G CA 0.444 45.523 45.100 -0.035 0.000 0.641 43 G HN 0.606 nan 8.290 nan 0.000 0.527 44 H N 0.109 119.102 119.070 -0.130 0.000 2.592 44 H HA 0.475 5.072 4.556 0.069 0.000 0.265 44 H C 1.509 176.908 175.328 0.119 0.000 0.955 44 H CA 1.212 57.230 56.048 -0.051 0.000 1.175 44 H CB 0.846 30.545 29.762 -0.105 0.000 1.433 44 H HN 1.475 nan 8.280 nan 0.000 0.537 45 G N 0.333 109.258 108.800 0.209 0.000 3.224 45 G HA2 0.087 4.087 3.960 0.068 0.000 0.684 45 G HA3 0.087 4.087 3.960 0.068 0.000 0.684 45 G C 0.810 175.799 174.900 0.148 0.000 1.180 45 G CA -0.131 45.104 45.100 0.226 0.000 1.099 45 G HN 0.457 nan 8.290 nan 0.000 0.476 46 A N 2.016 124.893 122.820 0.094 0.000 1.859 46 A HA 0.076 4.436 4.320 0.068 0.000 0.217 46 A C 2.673 180.274 177.584 0.028 0.000 1.198 46 A CA 3.120 55.198 52.037 0.067 0.000 0.629 46 A CB -0.612 18.412 19.000 0.040 0.000 0.830 46 A HN 1.567 nan 8.150 nan 0.000 0.446 47 V N 0.644 120.558 119.914 -0.000 0.000 2.237 47 V HA -0.171 3.990 4.120 0.068 0.000 0.245 47 V C -0.031 176.009 176.094 -0.089 0.000 1.046 47 V CA 2.552 64.832 62.300 -0.034 0.000 1.007 47 V CB -1.735 30.073 31.823 -0.024 0.000 0.638 47 V HN 0.390 nan 8.190 nan 0.000 0.445 48 P HA -0.136 nan 4.420 nan 0.000 0.216 48 P C 1.813 179.002 177.300 -0.185 0.000 1.153 48 P CA 1.762 64.704 63.100 -0.264 0.000 0.858 48 P CB -0.207 31.105 31.700 -0.646 0.000 0.789 49 C N -0.956 118.314 119.300 -0.051 0.000 2.457 49 C HA 0.065 4.566 4.460 0.068 0.000 0.278 49 C C 2.916 177.875 174.990 -0.052 0.000 1.309 49 C CA 0.996 60.023 59.018 0.015 0.000 1.735 49 C CB -1.755 26.104 27.740 0.197 0.000 1.992 49 C HN 0.228 nan 8.230 nan 0.000 0.493 50 A N 0.649 123.443 122.820 -0.042 0.000 1.877 50 A HA -0.199 4.161 4.320 0.068 0.000 0.216 50 A C 2.233 179.746 177.584 -0.118 0.000 1.186 50 A CA 1.503 53.509 52.037 -0.052 0.000 0.620 50 A CB -0.542 18.442 19.000 -0.028 0.000 0.822 50 A HN 0.639 nan 8.150 nan 0.000 0.443 51 R N -0.708 119.682 120.500 -0.183 0.000 2.073 51 R HA -0.108 4.272 4.340 0.068 0.000 0.234 51 R C 2.528 178.524 176.300 -0.507 0.000 1.134 51 R CA 1.322 57.257 56.100 -0.275 0.000 0.952 51 R CB -0.459 29.662 30.300 -0.300 0.000 0.850 51 R HN 0.526 nan 8.270 nan 0.000 0.433 52 A N 0.950 123.363 122.820 -0.678 0.000 1.877 52 A HA -0.138 4.222 4.320 0.068 0.000 0.216 52 A C 2.345 179.791 177.584 -0.231 0.000 1.186 52 A CA 1.766 53.447 52.037 -0.594 0.000 0.620 52 A CB -0.744 18.050 19.000 -0.344 0.000 0.822 52 A HN 0.432 nan 8.150 nan 0.000 0.443 53 A N -1.089 121.628 122.820 -0.171 0.000 1.902 53 A HA -0.223 4.137 4.320 0.068 0.000 0.217 53 A C 2.174 179.712 177.584 -0.077 0.000 1.181 53 A CA 1.691 53.661 52.037 -0.113 0.000 0.623 53 A CB -0.604 18.329 19.000 -0.112 0.000 0.818 53 A HN 0.629 nan 8.150 nan 0.000 0.443 54 Q N -1.047 118.707 119.800 -0.077 0.000 2.030 54 Q HA -0.216 4.165 4.340 0.068 0.000 0.204 54 Q C 2.182 178.173 176.000 -0.015 0.000 0.986 54 Q CA 1.597 57.376 55.803 -0.040 0.000 0.843 54 Q CB -0.215 28.500 28.738 -0.039 0.000 0.904 54 Q HN 0.704 nan 8.270 nan 0.000 0.420 55 E N 0.017 120.215 120.200 -0.004 0.000 2.118 55 E HA -0.163 4.227 4.350 0.068 0.000 0.195 55 E C 1.478 178.100 176.600 0.037 0.000 0.992 55 E CA 1.112 57.545 56.400 0.056 0.000 0.804 55 E CB 0.025 29.820 29.700 0.158 0.000 0.741 55 E HN 0.309 nan 8.360 nan 0.000 0.458 56 A N -0.637 122.188 122.820 0.009 0.000 2.235 56 A HA 0.193 4.553 4.320 0.068 0.000 0.208 56 A C 1.567 179.149 177.584 -0.003 0.000 1.172 56 A CA 1.255 53.294 52.037 0.003 0.000 0.786 56 A CB 0.011 19.002 19.000 -0.015 0.000 0.804 56 A HN 0.378 nan 8.150 nan 0.000 0.479 57 G N -2.583 106.216 108.800 -0.002 0.000 2.273 57 G HA2 0.207 4.208 3.960 0.068 0.000 0.162 57 G HA3 0.207 4.208 3.960 0.068 0.000 0.162 57 G C 0.329 175.232 174.900 0.005 0.000 1.006 57 G CA -0.087 45.015 45.100 0.003 0.000 0.704 57 G HN 1.384 nan 8.290 nan 0.000 0.487 58 A N 0.673 123.491 122.820 -0.004 0.000 2.491 58 A HA 0.738 5.099 4.320 0.068 0.000 0.261 58 A C 1.484 179.086 177.584 0.030 0.000 1.101 58 A CA 1.296 53.341 52.037 0.013 0.000 0.772 58 A CB 0.695 19.691 19.000 -0.007 0.000 1.043 58 A HN 1.648 nan 8.150 nan 0.000 0.501 59 A N 2.871 125.739 122.820 0.081 0.000 2.081 59 A HA 0.327 4.688 4.320 0.068 0.000 0.214 59 A C 0.199 177.785 177.584 0.002 0.000 1.158 59 A CA 0.314 52.388 52.037 0.061 0.000 0.724 59 A CB 0.045 19.131 19.000 0.143 0.000 0.826 59 A HN 0.802 nan 8.150 nan 0.000 0.463 60 W N -1.787 119.486 121.300 -0.046 0.000 2.864 60 W HA 0.643 5.345 4.660 0.069 0.000 0.343 60 W C -1.102 175.390 176.519 -0.045 0.000 1.109 60 W CA -0.707 56.607 57.345 -0.051 0.000 1.192 60 W CB 1.534 30.947 29.460 -0.078 0.000 1.426 60 W HN -0.109 nan 8.180 nan 0.000 0.529 61 L N 2.147 123.490 121.223 0.200 0.000 2.365 61 L HA 0.846 5.227 4.340 0.068 0.000 0.273 61 L C 0.090 177.047 176.870 0.146 0.000 1.000 61 L CA -0.690 54.219 54.840 0.115 0.000 0.819 61 L CB 1.555 43.632 42.059 0.029 0.000 1.284 61 L HN 0.506 nan 8.230 nan 0.000 0.418 62 G N 0.849 109.720 108.800 0.119 0.000 2.590 62 G HA2 0.693 4.694 3.960 0.068 0.000 0.310 62 G HA3 0.693 4.694 3.960 0.068 0.000 0.310 62 G C -0.840 173.997 174.900 -0.106 0.000 1.347 62 G CA -0.266 44.877 45.100 0.070 0.000 0.963 62 G HN 0.624 nan 8.290 nan 0.000 0.494 63 T N -1.255 113.027 114.554 -0.453 0.000 2.901 63 T HA 0.697 5.088 4.350 0.068 0.000 0.293 63 T C 1.056 175.132 174.700 -1.039 0.000 1.084 63 T CA 0.133 61.944 62.100 -0.482 0.000 1.008 63 T CB 1.916 70.608 68.868 -0.294 0.000 1.170 63 T HN 0.865 nan 8.240 nan 0.000 0.509 64 A N 1.299 123.694 122.820 -0.708 0.000 1.861 64 A HA 0.348 4.709 4.320 0.068 0.000 0.212 64 A C 1.529 178.736 177.584 -0.629 0.000 1.199 64 A CA 1.224 52.779 52.037 -0.803 0.000 0.613 64 A CB -1.064 17.810 19.000 -0.211 0.000 0.846 64 A HN 1.217 nan 8.150 nan 0.000 0.446 65 T N -3.735 110.548 114.554 -0.451 0.000 2.934 65 T HA 0.493 4.883 4.350 0.068 0.000 0.283 65 T C -2.054 172.322 174.700 -0.540 0.000 1.005 65 T CA -1.644 60.163 62.100 -0.489 0.000 1.041 65 T CB 1.555 70.215 68.868 -0.347 0.000 1.042 65 T HN -0.033 nan 8.240 nan 0.000 0.505 66 P HA -0.035 nan 4.420 nan 0.000 0.216 66 P C 1.164 178.251 177.300 -0.354 0.000 1.153 66 P CA 0.997 63.706 63.100 -0.652 0.000 0.848 66 P CB 0.074 31.128 31.700 -1.077 0.000 0.787 67 E N 0.041 120.048 120.200 -0.321 0.000 2.085 67 E HA -0.198 4.193 4.350 0.068 0.000 0.194 67 E C 2.018 178.523 176.600 -0.159 0.000 0.994 67 E CA 1.246 57.528 56.400 -0.198 0.000 0.801 67 E CB -0.788 28.809 29.700 -0.171 0.000 0.743 67 E HN 0.394 nan 8.360 nan 0.000 0.453 68 E N -0.023 120.067 120.200 -0.183 0.000 2.077 68 E HA -0.195 4.195 4.350 0.068 0.000 0.193 68 E C 2.012 178.536 176.600 -0.127 0.000 0.989 68 E CA 1.057 57.371 56.400 -0.142 0.000 0.800 68 E CB -0.142 29.459 29.700 -0.164 0.000 0.746 68 E HN 0.299 nan 8.360 nan 0.000 0.452 69 A N 0.749 123.473 122.820 -0.161 0.000 1.898 69 A HA -0.122 4.238 4.320 0.068 0.000 0.216 69 A C 2.132 179.669 177.584 -0.077 0.000 1.181 69 A CA 0.881 52.848 52.037 -0.117 0.000 0.620 69 A CB -0.513 18.413 19.000 -0.123 0.000 0.819 69 A HN 0.149 nan 8.150 nan 0.000 0.442 70 L N -0.640 120.532 121.223 -0.085 0.000 2.141 70 L HA -0.176 4.205 4.340 0.068 0.000 0.209 70 L C 2.628 179.471 176.870 -0.045 0.000 1.094 70 L CA 1.625 56.433 54.840 -0.054 0.000 0.763 70 L CB -0.422 41.602 42.059 -0.059 0.000 0.908 70 L HN 0.616 nan 8.230 nan 0.000 0.437 71 E N 0.741 120.908 120.200 -0.055 0.000 2.106 71 E HA -0.209 4.181 4.350 0.068 0.000 0.192 71 E C 2.332 178.915 176.600 -0.029 0.000 0.984 71 E CA 0.908 57.284 56.400 -0.040 0.000 0.806 71 E CB 0.060 29.734 29.700 -0.043 0.000 0.750 71 E HN 0.499 nan 8.360 nan 0.000 0.458 72 L N 0.322 121.524 121.223 -0.035 0.000 2.056 72 L HA -0.142 4.238 4.340 0.068 0.000 0.207 72 L C 2.888 179.745 176.870 -0.022 0.000 1.078 72 L CA 0.874 55.697 54.840 -0.027 0.000 0.749 72 L CB -0.421 41.618 42.059 -0.034 0.000 0.901 72 L HN 0.109 nan 8.230 nan 0.000 0.433 73 R N 0.210 120.696 120.500 -0.024 0.000 2.066 73 R HA -0.081 4.299 4.340 0.068 0.000 0.232 73 R C 2.259 178.552 176.300 -0.012 0.000 1.131 73 R CA 1.420 57.509 56.100 -0.018 0.000 0.955 73 R CB -0.646 29.645 30.300 -0.015 0.000 0.851 73 R HN 0.309 nan 8.270 nan 0.000 0.432 74 A N 0.860 123.673 122.820 -0.013 0.000 2.131 74 A HA -0.040 4.320 4.320 0.068 0.000 0.220 74 A C 1.837 179.419 177.584 -0.004 0.000 1.158 74 A CA 1.571 53.602 52.037 -0.009 0.000 0.665 74 A CB -0.225 18.768 19.000 -0.012 0.000 0.795 74 A HN 0.337 nan 8.150 nan 0.000 0.460 75 A N -1.669 121.150 122.820 -0.002 0.000 2.415 75 A HA 0.460 4.821 4.320 0.068 0.000 0.248 75 A C 1.594 179.188 177.584 0.017 0.000 1.299 75 A CA 0.881 52.923 52.037 0.008 0.000 0.899 75 A CB -1.014 17.991 19.000 0.008 0.000 0.997 75 A HN 1.771 nan 8.150 nan 0.000 0.506 76 G N -0.296 108.509 108.800 0.008 0.000 2.155 76 G HA2 -0.246 3.755 3.960 0.068 0.000 0.257 76 G HA3 -0.246 3.755 3.960 0.068 0.000 0.257 76 G C 0.168 175.074 174.900 0.010 0.000 0.983 76 G CA 0.380 45.486 45.100 0.010 0.000 0.676 76 G HN 0.519 nan 8.290 nan 0.000 0.528 77 I N 0.907 121.479 120.570 0.003 0.000 2.533 77 I HA 0.190 4.400 4.170 0.068 0.000 0.284 77 I C 0.927 177.031 176.117 -0.022 0.000 1.109 77 I CA 0.213 61.510 61.300 -0.004 0.000 1.412 77 I CB 0.719 38.711 38.000 -0.014 0.000 1.396 77 I HN 0.258 nan 8.210 nan 0.000 0.543 78 Q N 3.902 123.686 119.800 -0.027 0.000 2.240 78 Q HA 0.780 5.161 4.340 0.068 0.000 0.260 78 Q C 0.136 176.089 176.000 -0.078 0.000 1.018 78 Q CA -0.665 55.110 55.803 -0.047 0.000 0.898 78 Q CB 2.176 30.891 28.738 -0.039 0.000 1.301 78 Q HN 0.874 nan 8.270 nan 0.000 0.469 79 G N 0.248 108.980 108.800 -0.113 0.000 2.462 79 G HA2 -0.126 3.875 3.960 0.068 0.000 0.685 79 G HA3 -0.126 3.875 3.960 0.068 0.000 0.685 79 G C -1.314 173.425 174.900 -0.268 0.000 1.295 79 G CA -1.136 43.854 45.100 -0.182 0.000 0.941 79 G HN 0.373 nan 8.290 nan 0.000 0.554 80 R N -0.386 119.828 120.500 -0.478 0.000 2.347 80 R HA 0.516 4.896 4.340 0.068 0.000 0.304 80 R C 0.109 176.137 176.300 -0.453 0.000 1.072 80 R CA 0.152 55.804 56.100 -0.746 0.000 0.980 80 R CB 0.299 29.503 30.300 -1.827 0.000 0.986 80 R HN 0.476 nan 8.270 nan 0.000 0.448 81 I N 2.929 123.371 120.570 -0.213 0.000 2.730 81 I HA 0.457 4.668 4.170 0.068 0.000 0.298 81 I C -0.199 176.002 176.117 0.140 0.000 1.089 81 I CA -0.760 60.542 61.300 0.003 0.000 1.041 81 I CB 2.363 40.347 38.000 -0.027 0.000 1.235 81 I HN 0.388 nan 8.210 nan 0.000 0.423 82 M N 6.087 125.796 119.600 0.182 0.000 2.433 82 M HA 0.660 5.181 4.480 0.068 0.000 0.290 82 M C -1.807 174.473 176.300 -0.033 0.000 1.173 82 M CA -0.349 55.062 55.300 0.186 0.000 0.905 82 M CB 1.973 34.747 32.600 0.290 0.000 1.692 82 M HN 0.896 nan 8.290 nan 0.000 0.462 83 C N 1.559 120.858 119.300 -0.002 0.000 2.712 83 C HA 0.809 5.310 4.460 0.068 0.000 0.308 83 C C -0.310 174.748 174.990 0.114 0.000 1.201 83 C CA -0.588 58.255 59.018 -0.292 0.000 1.554 83 C CB 0.306 27.865 27.740 -0.302 0.000 2.117 83 C HN 1.201 nan 8.230 nan 0.000 0.480 84 W N 0.778 122.205 121.300 0.211 0.000 2.741 84 W HA 0.519 5.219 4.660 0.068 0.000 0.317 84 W C -0.116 176.623 176.519 0.367 0.000 1.029 84 W CA -0.504 57.076 57.345 0.392 0.000 1.511 84 W CB -0.274 29.463 29.460 0.463 0.000 1.025 84 W HN 0.451 nan 8.180 nan 0.000 0.554 85 L N 2.181 123.512 121.223 0.179 0.000 2.288 85 L HA 0.436 4.816 4.340 0.068 0.000 0.283 85 L C -1.303 175.533 176.870 -0.057 0.000 1.072 85 L CA -0.738 54.206 54.840 0.173 0.000 0.862 85 L CB -0.377 41.729 42.059 0.079 0.000 1.245 85 L HN 0.035 nan 8.230 nan 0.000 0.432 86 W N 2.943 124.350 121.300 0.178 0.000 2.706 86 W HA 0.749 5.449 4.660 0.066 0.000 0.346 86 W C -0.041 176.697 176.519 0.366 0.000 1.071 86 W CA -0.364 57.071 57.345 0.151 0.000 1.206 86 W CB 2.173 31.702 29.460 0.116 0.000 1.413 86 W HN 0.505 nan 8.180 nan 0.000 0.542 87 T N -0.616 114.267 114.554 0.548 0.000 2.906 87 T HA 0.550 4.941 4.350 0.068 0.000 0.295 87 T C -2.833 172.090 174.700 0.371 0.000 1.061 87 T CA -2.666 59.646 62.100 0.353 0.000 1.000 87 T CB 1.539 70.478 68.868 0.119 0.000 1.103 87 T HN -0.034 nan 8.240 nan 0.000 0.486 88 P HA 0.314 nan 4.420 nan 0.000 0.262 88 P C 1.143 178.584 177.300 0.235 0.000 1.182 88 P CA 1.278 64.422 63.100 0.073 0.000 0.761 88 P CB 0.074 31.611 31.700 -0.272 0.000 0.795 89 G N 1.827 110.876 108.800 0.414 0.000 2.176 89 G HA2 -0.154 3.847 3.960 0.068 0.000 0.232 89 G HA3 -0.154 3.847 3.960 0.068 0.000 0.232 89 G C 0.665 175.717 174.900 0.253 0.000 0.986 89 G CA -0.224 45.054 45.100 0.296 0.000 0.643 89 G HN 0.884 nan 8.290 nan 0.000 0.522 90 G N 0.476 109.424 108.800 0.246 0.000 2.744 90 G HA2 0.436 4.437 3.960 0.068 0.000 0.257 90 G HA3 0.436 4.437 3.960 0.068 0.000 0.257 90 G C -1.097 173.847 174.900 0.073 0.000 1.244 90 G CA 0.108 45.249 45.100 0.069 0.000 0.916 90 G HN 0.312 nan 8.290 nan 0.000 0.564 91 P HA 0.095 nan 4.420 nan 0.000 0.220 91 P C 0.143 177.610 177.300 0.279 0.000 1.806 91 P CA -0.414 62.771 63.100 0.143 0.000 0.976 91 P CB -0.289 31.440 31.700 0.048 0.000 1.952 92 W N 0.907 122.399 121.300 0.320 0.000 2.335 92 W HA -0.096 4.603 4.660 0.066 0.000 0.311 92 W C 2.731 179.299 176.519 0.082 0.000 1.213 92 W CA 0.720 58.110 57.345 0.076 0.000 1.274 92 W CB -0.809 28.604 29.460 -0.078 0.000 1.148 92 W HN 0.156 nan 8.180 nan 0.000 0.498 93 R N 0.723 121.411 120.500 0.314 0.000 2.080 93 R HA -0.208 4.173 4.340 0.068 0.000 0.236 93 R C 1.908 178.301 176.300 0.154 0.000 1.137 93 R CA 2.218 58.432 56.100 0.190 0.000 0.943 93 R CB -0.367 30.021 30.300 0.147 0.000 0.846 93 R HN 0.135 nan 8.270 nan 0.000 0.431 94 E N -0.024 120.264 120.200 0.147 0.000 2.085 94 E HA -0.182 4.208 4.350 0.068 0.000 0.194 94 E C 1.788 178.459 176.600 0.117 0.000 0.994 94 E CA 1.645 58.110 56.400 0.107 0.000 0.801 94 E CB -0.213 29.536 29.700 0.082 0.000 0.743 94 E HN 0.436 nan 8.360 nan 0.000 0.453 95 A N 0.294 123.222 122.820 0.180 0.000 1.930 95 A HA -0.104 4.257 4.320 0.068 0.000 0.217 95 A C 2.208 179.889 177.584 0.161 0.000 1.175 95 A CA 0.986 53.142 52.037 0.197 0.000 0.627 95 A CB -0.484 18.737 19.000 0.369 0.000 0.815 95 A HN 0.183 nan 8.150 nan 0.000 0.443 96 I N -0.739 119.928 120.570 0.161 0.000 2.252 96 I HA -0.216 3.994 4.170 0.068 0.000 0.245 96 I C 2.418 178.583 176.117 0.080 0.000 1.102 96 I CA 1.444 62.814 61.300 0.116 0.000 1.385 96 I CB -0.269 37.795 38.000 0.107 0.000 1.064 96 I HN 0.361 nan 8.210 nan 0.000 0.414 97 E N 0.006 120.252 120.200 0.077 0.000 2.204 97 E HA -0.190 4.200 4.350 0.068 0.000 0.194 97 E C 1.821 178.446 176.600 0.041 0.000 0.989 97 E CA 1.659 58.090 56.400 0.053 0.000 0.824 97 E CB 0.037 29.767 29.700 0.051 0.000 0.756 97 E HN 0.533 nan 8.360 nan 0.000 0.477 98 T N -2.150 112.432 114.554 0.047 0.000 3.107 98 T HA 0.029 4.420 4.350 0.068 0.000 0.249 98 T C 0.208 174.921 174.700 0.022 0.000 1.096 98 T CA 0.365 62.483 62.100 0.029 0.000 1.012 98 T CB 0.041 68.927 68.868 0.029 0.000 0.977 98 T HN 0.020 nan 8.240 nan 0.000 0.527 99 D N 0.110 120.530 120.400 0.033 0.000 2.760 99 D HA -0.133 4.548 4.640 0.068 0.000 0.244 99 D C -0.892 175.422 176.300 0.023 0.000 1.123 99 D CA 0.340 54.354 54.000 0.023 0.000 0.719 99 D CB -1.773 39.024 40.800 -0.005 0.000 1.045 99 D HN 0.696 nan 8.370 nan 0.000 0.426 100 I N 0.976 121.585 120.570 0.066 0.000 2.433 100 I HA 0.276 4.487 4.170 0.068 0.000 0.292 100 I C 0.274 176.478 176.117 0.145 0.000 1.001 100 I CA -0.969 60.384 61.300 0.088 0.000 1.119 100 I CB 1.504 39.567 38.000 0.105 0.000 1.289 100 I HN -0.050 nan 8.210 nan 0.000 0.438 101 D N 5.495 125.998 120.400 0.172 0.000 2.371 101 D HA 0.257 4.938 4.640 0.068 0.000 0.256 101 D C -0.386 176.074 176.300 0.265 0.000 1.193 101 D CA 0.224 54.363 54.000 0.231 0.000 0.881 101 D CB 1.001 42.005 40.800 0.340 0.000 1.143 101 D HN 0.231 nan 8.370 nan 0.000 0.473 102 V N 0.398 120.468 119.914 0.261 0.000 2.547 102 V HA 0.619 4.780 4.120 0.068 0.000 0.299 102 V C 0.162 176.440 176.094 0.308 0.000 1.040 102 V CA -0.903 61.595 62.300 0.329 0.000 0.913 102 V CB 1.884 33.832 31.823 0.208 0.000 0.992 102 V HN 0.397 nan 8.190 nan 0.000 0.449 103 S N 3.120 119.086 115.700 0.443 0.000 2.562 103 S HA 0.694 5.205 4.470 0.068 0.000 0.275 103 S C -0.490 174.304 174.600 0.323 0.000 1.281 103 S CA -0.394 58.110 58.200 0.507 0.000 1.045 103 S CB 1.168 64.874 63.200 0.844 0.000 0.962 103 S HN 0.964 nan 8.310 nan 0.000 0.503 104 V N 4.411 124.462 119.914 0.228 0.000 2.487 104 V HA 0.458 4.619 4.120 0.068 0.000 0.298 104 V C 0.215 176.333 176.094 0.040 0.000 1.028 104 V CA -0.477 61.836 62.300 0.023 0.000 0.860 104 V CB 1.824 33.595 31.823 -0.087 0.000 0.991 104 V HN 0.999 nan 8.190 nan 0.000 0.427 105 S N 2.316 117.996 115.700 -0.033 0.000 2.632 105 S HA 0.467 4.978 4.470 0.068 0.000 0.237 105 S C 0.474 175.056 174.600 -0.029 0.000 1.037 105 S CA 0.371 58.576 58.200 0.009 0.000 1.009 105 S CB 1.140 64.378 63.200 0.064 0.000 0.974 105 S HN 0.985 nan 8.310 nan 0.000 0.544 106 G N 0.172 108.856 108.800 -0.193 0.000 2.695 106 G HA2 0.489 4.489 3.960 0.068 0.000 0.290 106 G HA3 0.489 4.489 3.960 0.068 0.000 0.290 106 G C 0.309 175.046 174.900 -0.271 0.000 1.410 106 G CA -0.481 44.518 45.100 -0.169 0.000 0.844 106 G HN -0.088 nan 8.290 nan 0.000 0.478 107 M N 0.475 120.012 119.600 -0.104 0.000 2.175 107 M HA 0.015 4.535 4.480 0.068 0.000 0.264 107 M C 2.378 178.620 176.300 -0.097 0.000 1.063 107 M CA 1.264 56.509 55.300 -0.092 0.000 1.119 107 M CB -0.949 31.648 32.600 -0.005 0.000 1.377 107 M HN 0.887 nan 8.290 nan 0.000 0.415 108 W N 0.945 122.230 121.300 -0.023 0.000 2.342 108 W HA -0.142 4.560 4.660 0.071 0.000 0.297 108 W C 1.773 178.242 176.519 -0.083 0.000 1.213 108 W CA 1.283 58.612 57.345 -0.027 0.000 1.251 108 W CB -1.275 28.203 29.460 0.030 0.000 1.136 108 W HN 0.200 nan 8.180 nan 0.000 0.526 109 A N 1.918 124.086 122.820 -1.087 0.000 1.898 109 A HA -0.117 4.243 4.320 0.068 0.000 0.216 109 A C 2.322 179.405 177.584 -0.837 0.000 1.181 109 A CA 1.593 52.901 52.037 -1.215 0.000 0.620 109 A CB -1.160 17.104 19.000 -1.227 0.000 0.819 109 A HN 0.390 nan 8.150 nan 0.000 0.442 110 L N -0.466 120.425 121.223 -0.553 0.000 2.042 110 L HA -0.209 4.172 4.340 0.068 0.000 0.210 110 L C 1.755 178.403 176.870 -0.371 0.000 1.076 110 L CA 1.982 56.576 54.840 -0.410 0.000 0.749 110 L CB -0.453 41.446 42.059 -0.267 0.000 0.893 110 L HN 0.363 nan 8.230 nan 0.000 0.432 111 D N -0.424 119.805 120.400 -0.284 0.000 2.183 111 D HA -0.163 4.518 4.640 0.068 0.000 0.203 111 D C 2.079 178.218 176.300 -0.269 0.000 0.969 111 D CA 0.930 54.807 54.000 -0.204 0.000 0.842 111 D CB 0.082 40.828 40.800 -0.090 0.000 0.957 111 D HN 0.441 nan 8.370 nan 0.000 0.484 112 E N 0.214 120.167 120.200 -0.413 0.000 2.107 112 E HA -0.086 4.304 4.350 0.068 0.000 0.191 112 E C 2.128 178.242 176.600 -0.809 0.000 0.982 112 E CA 0.334 56.404 56.400 -0.549 0.000 0.809 112 E CB 0.146 29.473 29.700 -0.622 0.000 0.756 112 E HN 0.064 nan 8.360 nan 0.000 0.459 113 V N 1.318 120.609 119.914 -1.039 0.000 2.453 113 V HA -0.190 3.970 4.120 0.068 0.000 0.247 113 V C 2.113 177.999 176.094 -0.346 0.000 1.048 113 V CA 1.459 63.314 62.300 -0.741 0.000 1.049 113 V CB -0.209 31.178 31.823 -0.727 0.000 0.672 113 V HN 0.161 nan 8.190 nan 0.000 0.457 114 R N 0.233 120.552 120.500 -0.303 0.000 2.073 114 R HA -0.088 4.292 4.340 0.068 0.000 0.234 114 R C 2.422 178.646 176.300 -0.128 0.000 1.134 114 R CA 1.572 57.566 56.100 -0.177 0.000 0.952 114 R CB -0.751 29.455 30.300 -0.156 0.000 0.850 114 R HN 0.602 nan 8.270 nan 0.000 0.433 115 A N 1.003 123.742 122.820 -0.135 0.000 1.972 115 A HA -0.067 4.293 4.320 0.068 0.000 0.219 115 A C 2.279 179.834 177.584 -0.048 0.000 1.169 115 A CA 1.624 53.615 52.037 -0.077 0.000 0.635 115 A CB -0.386 18.575 19.000 -0.066 0.000 0.810 115 A HN 0.410 nan 8.150 nan 0.000 0.446 116 A N -0.390 122.390 122.820 -0.066 0.000 1.970 116 A HA 0.332 4.693 4.320 0.068 0.000 0.216 116 A C 2.377 179.969 177.584 0.013 0.000 1.170 116 A CA 1.469 53.512 52.037 0.010 0.000 0.645 116 A CB -0.741 18.302 19.000 0.072 0.000 0.816 116 A HN 0.960 nan 8.150 nan 0.000 0.447 117 A N -0.461 122.344 122.820 -0.024 0.000 2.067 117 A HA -0.080 4.281 4.320 0.068 0.000 0.219 117 A C 2.204 179.783 177.584 -0.007 0.000 1.158 117 A CA 1.077 53.107 52.037 -0.012 0.000 0.661 117 A CB -0.337 18.643 19.000 -0.034 0.000 0.801 117 A HN 0.370 nan 8.150 nan 0.000 0.452 118 R N -0.304 120.187 120.500 -0.014 0.000 2.056 118 R HA 0.000 4.381 4.340 0.068 0.000 0.227 118 R C 2.556 178.859 176.300 0.005 0.000 1.149 118 R CA 1.462 57.557 56.100 -0.008 0.000 0.937 118 R CB -1.343 28.948 30.300 -0.014 0.000 0.835 118 R HN 0.469 nan 8.270 nan 0.000 0.430 119 A N 1.431 124.259 122.820 0.012 0.000 1.892 119 A HA -0.169 4.191 4.320 0.068 0.000 0.218 119 A C 2.369 179.969 177.584 0.026 0.000 1.188 119 A CA 2.309 54.360 52.037 0.023 0.000 0.631 119 A CB -0.736 18.285 19.000 0.035 0.000 0.822 119 A HN 0.406 nan 8.150 nan 0.000 0.447 120 A N -1.768 121.071 122.820 0.031 0.000 2.015 120 A HA 0.318 4.679 4.320 0.068 0.000 0.219 120 A C 2.063 179.661 177.584 0.022 0.000 1.163 120 A CA 1.601 53.658 52.037 0.034 0.000 0.646 120 A CB -1.176 17.850 19.000 0.043 0.000 0.806 120 A HN 2.114 nan 8.150 nan 0.000 0.448 121 G N -0.688 108.121 108.800 0.015 0.000 2.225 121 G HA2 -0.249 3.752 3.960 0.068 0.000 0.264 121 G HA3 -0.249 3.752 3.960 0.068 0.000 0.264 121 G C 0.039 174.945 174.900 0.009 0.000 1.060 121 G CA 0.467 45.572 45.100 0.010 0.000 0.833 121 G HN 0.948 nan 8.290 nan 0.000 0.498 122 R N -1.474 119.032 120.500 0.010 0.000 2.781 122 R HA 0.664 5.045 4.340 0.068 0.000 0.269 122 R C -0.854 175.450 176.300 0.007 0.000 1.025 122 R CA -0.892 55.214 56.100 0.010 0.000 0.914 122 R CB 0.568 30.879 30.300 0.017 0.000 1.236 122 R HN 0.084 nan 8.270 nan 0.000 0.465 123 T N 1.096 115.655 114.554 0.007 0.000 2.780 123 T HA 0.431 4.822 4.350 0.068 0.000 0.294 123 T C 0.029 174.737 174.700 0.014 0.000 0.949 123 T CA -0.436 61.666 62.100 0.004 0.000 1.074 123 T CB 1.265 70.136 68.868 0.005 0.000 0.910 123 T HN 0.611 nan 8.240 nan 0.000 0.501 124 A N 4.135 126.960 122.820 0.007 0.000 2.309 124 A HA 0.483 4.843 4.320 0.068 0.000 0.298 124 A C 0.403 178.007 177.584 0.033 0.000 1.165 124 A CA -0.875 51.175 52.037 0.022 0.000 0.821 124 A CB 0.385 19.385 19.000 0.000 0.000 1.102 124 A HN 0.822 nan 8.150 nan 0.000 0.500 125 R N 2.775 123.313 120.500 0.063 0.000 2.248 125 R HA 0.363 4.744 4.340 0.068 0.000 0.337 125 R C -0.394 175.973 176.300 0.111 0.000 1.106 125 R CA 0.006 56.160 56.100 0.089 0.000 0.959 125 R CB -0.169 30.198 30.300 0.112 0.000 1.075 125 R HN 0.761 nan 8.270 nan 0.000 0.480 126 I N -1.176 119.447 120.570 0.090 0.000 2.607 126 I HA 0.382 4.593 4.170 0.068 0.000 0.305 126 I C -0.530 175.678 176.117 0.152 0.000 0.995 126 I CA -1.108 60.254 61.300 0.104 0.000 1.148 126 I CB 1.849 39.865 38.000 0.027 0.000 1.323 126 I HN 0.335 nan 8.210 nan 0.000 0.461 127 Q N 3.940 123.872 119.800 0.221 0.000 2.321 127 Q HA 0.488 4.869 4.340 0.068 0.000 0.270 127 Q C -1.257 174.990 176.000 0.412 0.000 1.032 127 Q CA -0.945 55.044 55.803 0.310 0.000 0.784 127 Q CB 2.831 31.741 28.738 0.286 0.000 1.264 127 Q HN 0.517 nan 8.270 nan 0.000 0.448 131 D N 3.038 123.213 120.400 -0.375 0.000 2.468 131 D HA 0.312 4.993 4.640 0.068 0.000 0.218 131 D C 1.352 177.496 176.300 -0.260 0.000 1.155 131 D CA 0.682 54.518 54.000 -0.274 0.000 0.924 131 D CB 0.660 41.358 40.800 -0.170 0.000 1.029 131 D HN 0.602 nan 8.370 nan 0.000 0.515 132 T N 0.340 114.733 114.554 -0.268 0.000 3.272 132 T HA 0.375 4.766 4.350 0.068 0.000 0.250 132 T C 1.248 175.870 174.700 -0.130 0.000 1.082 132 T CA 0.212 62.191 62.100 -0.203 0.000 0.968 132 T CB 0.199 68.949 68.868 -0.197 0.000 1.015 132 T HN 0.435 nan 8.240 nan 0.000 0.563 133 G N 0.529 109.256 108.800 -0.122 0.000 2.551 133 G HA2 -0.174 3.827 3.960 0.068 0.000 0.186 133 G HA3 -0.174 3.827 3.960 0.068 0.000 0.186 133 G C 0.458 175.315 174.900 -0.072 0.000 1.002 133 G CA 0.044 45.099 45.100 -0.075 0.000 0.723 133 G HN 0.404 nan 8.290 nan 0.000 0.481 134 L N 1.790 122.954 121.223 -0.099 0.000 2.093 134 L HA 0.434 4.814 4.340 0.068 0.000 0.208 134 L C 2.156 178.988 176.870 -0.063 0.000 1.085 134 L CA 2.785 57.572 54.840 -0.089 0.000 0.755 134 L CB -0.500 41.493 42.059 -0.111 0.000 0.904 134 L HN 1.573 nan 8.230 nan 0.000 0.435 135 G N -0.899 107.862 108.800 -0.065 0.000 2.147 135 G HA2 -0.372 3.629 3.960 0.068 0.000 0.244 135 G HA3 -0.372 3.629 3.960 0.068 0.000 0.244 135 G C 0.960 175.846 174.900 -0.023 0.000 1.005 135 G CA 0.796 45.871 45.100 -0.041 0.000 0.713 135 G HN 0.487 nan 8.290 nan 0.000 0.515 136 R N -0.699 119.784 120.500 -0.027 0.000 1.758 136 R HA 0.328 4.709 4.340 0.068 0.000 0.141 136 R C 1.262 177.570 176.300 0.013 0.000 2.075 136 R CA 0.271 56.373 56.100 0.003 0.000 1.687 136 R CB -0.075 30.233 30.300 0.014 0.000 1.239 136 R HN 0.274 nan 8.270 nan 0.000 0.477 137 N N -0.728 117.972 118.700 -0.000 0.000 2.495 137 N HA 0.342 5.122 4.740 0.068 0.000 0.294 137 N C -0.734 174.733 175.510 -0.071 0.000 1.276 137 N CA 0.803 53.863 53.050 0.017 0.000 0.973 137 N CB 1.011 39.532 38.487 0.057 0.000 1.143 137 N HN 0.652 nan 8.380 nan 0.000 0.589 138 G N -0.821 107.934 108.800 -0.074 0.000 2.746 138 G HA2 -0.188 3.813 3.960 0.068 0.000 0.685 138 G HA3 -0.188 3.813 3.960 0.068 0.000 0.685 138 G C -0.627 174.244 174.900 -0.049 0.000 1.350 138 G CA -0.369 44.644 45.100 -0.145 0.000 0.837 138 G HN 0.755 nan 8.290 nan 0.000 0.564 139 C N 1.603 120.890 119.300 -0.022 0.000 2.307 139 C HA 0.640 5.141 4.460 0.068 0.000 0.340 139 C C 0.813 175.795 174.990 -0.014 0.000 1.275 139 C CA -0.715 58.350 59.018 0.078 0.000 1.811 139 C CB 0.303 28.246 27.740 0.337 0.000 2.372 139 C HN 0.723 nan 8.230 nan 0.000 0.531 140 Q N 5.228 125.029 119.800 0.001 0.000 2.392 140 Q HA 0.122 4.503 4.340 0.068 0.000 0.262 140 Q C -1.327 174.652 176.000 -0.035 0.000 1.003 140 Q CA -0.789 54.989 55.803 -0.041 0.000 0.888 140 Q CB 0.938 29.668 28.738 -0.013 0.000 1.260 140 Q HN 0.569 nan 8.270 nan 0.000 0.435 141 P HA -0.203 nan 4.420 nan 0.000 0.216 141 P C 0.613 177.903 177.300 -0.016 0.000 1.154 141 P CA 2.076 65.116 63.100 -0.100 0.000 0.865 141 P CB 0.095 31.720 31.700 -0.124 0.000 0.789 142 A N -0.862 121.950 122.820 -0.014 0.000 2.225 142 A HA -0.155 4.206 4.320 0.068 0.000 0.215 142 A C 1.563 179.158 177.584 0.018 0.000 1.164 142 A CA 1.615 53.650 52.037 -0.003 0.000 0.710 142 A CB -0.850 18.148 19.000 -0.004 0.000 0.780 142 A HN 0.163 nan 8.150 nan 0.000 0.473 143 D N -2.620 117.812 120.400 0.053 0.000 2.474 143 D HA -0.025 4.656 4.640 0.068 0.000 0.213 143 D C 1.327 177.690 176.300 0.106 0.000 1.120 143 D CA -0.386 53.652 54.000 0.063 0.000 0.836 143 D CB -0.284 40.555 40.800 0.066 0.000 1.019 143 D HN 0.721 nan 8.370 nan 0.000 0.507 144 W N 2.453 123.677 121.300 -0.128 0.000 2.333 144 W HA -0.280 4.415 4.660 0.059 0.000 0.316 144 W C 2.151 178.577 176.519 -0.154 0.000 1.215 144 W CA 1.881 59.134 57.345 -0.154 0.000 1.278 144 W CB 0.169 29.496 29.460 -0.221 0.000 1.154 144 W HN -0.029 nan 8.180 nan 0.000 0.486 145 A N 0.477 123.205 122.820 -0.154 0.000 1.884 145 A HA -0.357 4.004 4.320 0.068 0.000 0.219 145 A C 1.874 179.406 177.584 -0.086 0.000 1.197 145 A CA 2.395 54.328 52.037 -0.173 0.000 0.637 145 A CB -1.441 17.496 19.000 -0.104 0.000 0.827 145 A HN 0.558 nan 8.150 nan 0.000 0.450 146 E N -0.858 119.302 120.200 -0.067 0.000 2.085 146 E HA -0.213 4.178 4.350 0.068 0.000 0.194 146 E C 1.925 178.460 176.600 -0.107 0.000 0.994 146 E CA 1.439 57.803 56.400 -0.059 0.000 0.801 146 E CB -0.211 29.470 29.700 -0.031 0.000 0.743 146 E HN 0.436 nan 8.360 nan 0.000 0.453 147 L N 0.458 121.589 121.223 -0.153 0.000 2.027 147 L HA -0.128 4.252 4.340 0.068 0.000 0.206 147 L C 2.354 179.039 176.870 -0.309 0.000 1.074 147 L CA 1.261 55.975 54.840 -0.210 0.000 0.745 147 L CB -0.461 41.477 42.059 -0.202 0.000 0.898 147 L HN 0.051 nan 8.230 nan 0.000 0.433 148 V N 0.029 119.662 119.914 -0.470 0.000 2.392 148 V HA -0.244 3.916 4.120 0.068 0.000 0.249 148 V C 2.569 178.533 176.094 -0.216 0.000 1.059 148 V CA 1.814 63.852 62.300 -0.437 0.000 1.051 148 V CB -1.623 29.920 31.823 -0.467 0.000 0.658 148 V HN 0.639 nan 8.190 nan 0.000 0.455 149 G N -0.475 108.239 108.800 -0.143 0.000 2.404 149 G HA2 -0.175 3.826 3.960 0.068 0.000 0.215 149 G HA3 -0.175 3.826 3.960 0.068 0.000 0.215 149 G C 1.757 176.599 174.900 -0.097 0.000 1.174 149 G CA 0.914 45.959 45.100 -0.092 0.000 0.780 149 G HN 0.611 nan 8.290 nan 0.000 0.537 150 A N 0.957 123.713 122.820 -0.107 0.000 1.972 150 A HA 0.300 4.660 4.320 0.068 0.000 0.219 150 A C 2.728 180.246 177.584 -0.111 0.000 1.169 150 A CA 2.138 54.115 52.037 -0.100 0.000 0.635 150 A CB -0.546 18.393 19.000 -0.101 0.000 0.810 150 A HN 0.701 nan 8.150 nan 0.000 0.446 151 A N -0.065 122.675 122.820 -0.134 0.000 1.872 151 A HA 0.049 4.409 4.320 0.068 0.000 0.214 151 A C 2.259 179.785 177.584 -0.097 0.000 1.187 151 A CA 1.820 53.782 52.037 -0.126 0.000 0.614 151 A CB -1.147 17.762 19.000 -0.152 0.000 0.826 151 A HN 1.096 nan 8.150 nan 0.000 0.442 152 V N -2.555 117.301 119.914 -0.098 0.000 2.759 152 V HA 0.039 4.199 4.120 0.068 0.000 0.256 152 V C 2.355 178.411 176.094 -0.064 0.000 1.080 152 V CA 1.687 63.941 62.300 -0.076 0.000 1.101 152 V CB -1.225 30.549 31.823 -0.080 0.000 0.698 152 V HN 0.470 nan 8.190 nan 0.000 0.477 153 A N 0.741 123.520 122.820 -0.068 0.000 1.898 153 A HA 0.306 4.666 4.320 0.068 0.000 0.214 153 A C 2.444 179.994 177.584 -0.056 0.000 1.183 153 A CA 1.636 53.639 52.037 -0.057 0.000 0.622 153 A CB -0.912 18.054 19.000 -0.057 0.000 0.824 153 A HN 0.877 nan 8.150 nan 0.000 0.444 154 A N -0.866 121.914 122.820 -0.067 0.000 2.015 154 A HA -0.165 4.195 4.320 0.068 0.000 0.219 154 A C 2.111 179.662 177.584 -0.056 0.000 1.163 154 A CA 1.655 53.651 52.037 -0.069 0.000 0.646 154 A CB -0.456 18.491 19.000 -0.089 0.000 0.806 154 A HN 0.639 nan 8.150 nan 0.000 0.448 155 Q N -0.716 119.053 119.800 -0.052 0.000 2.123 155 Q HA -0.059 4.322 4.340 0.068 0.000 0.199 155 Q C 2.250 178.230 176.000 -0.032 0.000 0.966 155 Q CA 1.210 56.990 55.803 -0.038 0.000 0.845 155 Q CB -0.292 28.425 28.738 -0.036 0.000 0.907 155 Q HN 0.642 nan 8.270 nan 0.000 0.439 156 A N 1.590 124.389 122.820 -0.035 0.000 1.902 156 A HA -0.239 4.121 4.320 0.068 0.000 0.217 156 A C 1.774 179.341 177.584 -0.027 0.000 1.181 156 A CA 1.732 53.751 52.037 -0.030 0.000 0.623 156 A CB -0.736 18.244 19.000 -0.032 0.000 0.818 156 A HN 0.662 nan 8.150 nan 0.000 0.443 157 E N -0.647 119.534 120.200 -0.032 0.000 2.516 157 E HA 0.203 4.594 4.350 0.068 0.000 0.199 157 E C 1.120 177.704 176.600 -0.026 0.000 1.069 157 E CA 0.757 57.140 56.400 -0.029 0.000 0.876 157 E CB -0.649 29.030 29.700 -0.035 0.000 0.843 157 E HN 0.844 nan 8.360 nan 0.000 0.530 158 G N 0.389 109.174 108.800 -0.025 0.000 2.189 158 G HA2 -0.379 3.622 3.960 0.068 0.000 0.267 158 G HA3 -0.379 3.622 3.960 0.068 0.000 0.267 158 G C 0.925 175.812 174.900 -0.023 0.000 0.975 158 G CA 0.823 45.911 45.100 -0.020 0.000 0.644 158 G HN 0.408 nan 8.290 nan 0.000 0.537 159 T N -0.857 113.678 114.554 -0.033 0.000 2.857 159 T HA 0.325 4.715 4.350 0.068 0.000 0.266 159 T C 1.412 176.086 174.700 -0.042 0.000 1.048 159 T CA 2.462 64.538 62.100 -0.040 0.000 1.139 159 T CB -0.180 68.655 68.868 -0.056 0.000 0.874 159 T HN 1.464 nan 8.240 nan 0.000 0.455 160 V N -0.139 119.748 119.914 -0.044 0.000 3.158 160 V HA 0.838 4.999 4.120 0.068 0.000 0.311 160 V C -1.631 174.451 176.094 -0.019 0.000 1.181 160 V CA -1.211 61.066 62.300 -0.038 0.000 1.054 160 V CB 2.003 33.788 31.823 -0.063 0.000 1.085 160 V HN 0.308 nan 8.190 nan 0.000 0.446 161 Q N 0.764 120.563 119.800 -0.002 0.000 2.406 161 Q HA 0.556 4.936 4.340 0.068 0.000 0.244 161 Q C -1.787 174.233 176.000 0.034 0.000 0.884 161 Q CA -0.595 55.216 55.803 0.014 0.000 0.813 161 Q CB 1.790 30.542 28.738 0.023 0.000 1.368 161 Q HN 0.837 nan 8.270 nan 0.000 0.439 162 V N 4.349 124.279 119.914 0.028 0.000 2.400 162 V HA 0.047 4.208 4.120 0.068 0.000 0.263 162 V C 1.337 177.482 176.094 0.085 0.000 1.026 162 V CA 1.134 63.465 62.300 0.052 0.000 1.077 162 V CB -0.029 31.811 31.823 0.028 0.000 1.054 162 V HN 1.004 nan 8.190 nan 0.000 0.477 163 T N 0.936 115.562 114.554 0.120 0.000 3.081 163 T HA 0.384 4.774 4.350 0.068 0.000 0.250 163 T C 0.737 175.537 174.700 0.166 0.000 1.100 163 T CA 0.461 62.651 62.100 0.150 0.000 1.038 163 T CB 0.379 69.363 68.868 0.193 0.000 0.962 163 T HN 0.904 nan 8.240 nan 0.000 0.516 164 G N -0.240 108.665 108.800 0.176 0.000 2.632 164 G HA2 0.530 4.531 3.960 0.068 0.000 0.292 164 G HA3 0.530 4.531 3.960 0.068 0.000 0.292 164 G C -2.166 172.892 174.900 0.262 0.000 1.465 164 G CA -0.612 44.610 45.100 0.203 0.000 0.824 164 G HN 0.195 nan 8.290 nan 0.000 0.509 165 V N 2.067 122.137 119.914 0.261 0.000 2.577 165 V HA 0.860 5.021 4.120 0.068 0.000 0.303 165 V C -0.761 175.514 176.094 0.302 0.000 1.042 165 V CA -0.490 61.998 62.300 0.313 0.000 0.872 165 V CB 1.513 33.472 31.823 0.226 0.000 0.998 165 V HN 0.957 nan 8.190 nan 0.000 0.423 166 W N 3.368 124.605 121.300 -0.106 0.000 2.988 166 W HA 0.877 5.573 4.660 0.060 0.000 0.355 166 W C -1.031 175.240 176.519 -0.414 0.000 1.233 166 W CA -1.101 55.958 57.345 -0.477 0.000 1.176 166 W CB 1.430 30.198 29.460 -1.154 0.000 1.477 166 W HN 0.543 nan 8.180 nan 0.000 0.582 167 S N -0.552 114.689 115.700 -0.765 0.000 2.752 167 S HA 0.607 5.118 4.470 0.068 0.000 0.284 167 S C -2.281 171.965 174.600 -0.590 0.000 1.189 167 S CA -0.335 57.363 58.200 -0.837 0.000 0.835 167 S CB 1.657 64.366 63.200 -0.819 0.000 1.192 167 S HN 0.710 nan 8.310 nan 0.000 0.506 168 H N 0.058 118.735 119.070 -0.655 0.000 2.865 168 H HA 0.596 5.191 4.556 0.066 0.000 0.362 168 H C -1.599 173.495 175.328 -0.389 0.000 1.114 168 H CA -0.631 55.139 56.048 -0.463 0.000 1.208 168 H CB 0.475 30.042 29.762 -0.324 0.000 1.727 168 H HN 0.369 nan 8.280 nan 0.000 0.534 169 F N 2.383 122.034 119.950 -0.498 0.000 2.418 169 F HA 0.389 4.955 4.527 0.065 0.000 0.341 169 F C 1.409 176.926 175.800 -0.471 0.000 1.120 169 F CA 0.518 58.279 58.000 -0.398 0.000 1.232 169 F CB 1.125 39.969 39.000 -0.260 0.000 1.175 169 F HN 0.754 nan 8.300 nan 0.000 0.569 170 A N 0.769 123.550 122.820 -0.065 0.000 2.035 170 A HA 0.142 4.502 4.320 0.068 0.000 0.208 170 A C 0.907 178.381 177.584 -0.184 0.000 1.206 170 A CA 0.434 52.383 52.037 -0.147 0.000 0.773 170 A CB -0.338 18.591 19.000 -0.118 0.000 0.878 170 A HN 0.733 nan 8.150 nan 0.000 0.469 171 C N -0.766 118.403 119.300 -0.219 0.000 3.144 171 C HA 0.588 5.089 4.460 0.068 0.000 0.253 171 C C 1.947 176.790 174.990 -0.245 0.000 2.010 171 C CA -0.587 58.241 59.018 -0.317 0.000 1.698 171 C CB -0.595 26.702 27.740 -0.739 0.000 3.346 171 C HN 0.635 nan 8.230 nan 0.000 0.449 172 A N 1.788 124.481 122.820 -0.212 0.000 2.067 172 A HA -0.168 4.192 4.320 0.068 0.000 0.219 172 A C 1.999 179.513 177.584 -0.116 0.000 1.158 172 A CA 2.091 53.976 52.037 -0.254 0.000 0.661 172 A CB -0.264 18.581 19.000 -0.258 0.000 0.801 172 A HN 0.738 nan 8.150 nan 0.000 0.452 173 D N -0.128 120.236 120.400 -0.059 0.000 2.355 173 D HA -0.058 4.623 4.640 0.068 0.000 0.218 173 D C 0.154 176.454 176.300 -0.000 0.000 1.004 173 D CA 0.371 54.374 54.000 0.005 0.000 0.880 173 D CB -0.235 40.598 40.800 0.056 0.000 0.911 173 D HN 0.509 nan 8.370 nan 0.000 0.528 174 E N 1.692 121.875 120.200 -0.028 0.000 2.167 174 E HA 0.269 4.659 4.350 0.068 0.000 0.247 174 E C -2.466 174.149 176.600 0.025 0.000 0.961 174 E CA -2.237 54.172 56.400 0.016 0.000 0.797 174 E CB 1.323 31.050 29.700 0.044 0.000 1.182 174 E HN 0.089 nan 8.360 nan 0.000 0.437 175 P HA -0.084 nan 4.420 nan 0.000 0.261 175 P C 0.716 178.020 177.300 0.007 0.000 1.173 175 P CA 0.926 64.023 63.100 -0.004 0.000 0.760 175 P CB 0.554 32.253 31.700 -0.003 0.000 0.783 176 G N 1.217 110.012 108.800 -0.009 0.000 2.148 176 G HA2 -0.258 3.742 3.960 0.068 0.000 0.254 176 G HA3 -0.258 3.742 3.960 0.068 0.000 0.254 176 G C 0.270 175.169 174.900 -0.001 0.000 0.981 176 G CA -0.234 44.858 45.100 -0.013 0.000 0.670 176 G HN 0.781 nan 8.290 nan 0.000 0.528 177 H N 1.603 120.633 119.070 -0.067 0.000 2.803 177 H HA 0.210 4.806 4.556 0.067 0.000 0.330 177 H C -0.498 174.797 175.328 -0.056 0.000 1.057 177 H CA -0.626 55.387 56.048 -0.058 0.000 1.458 177 H CB 1.564 31.286 29.762 -0.066 0.000 1.470 177 H HN 0.124 nan 8.280 nan 0.000 0.560 178 P HA -0.211 nan 4.420 nan 0.000 0.216 178 P C 1.498 178.856 177.300 0.096 0.000 1.150 178 P CA 1.783 64.861 63.100 -0.038 0.000 0.843 178 P CB 0.130 31.756 31.700 -0.122 0.000 0.787 179 S N -0.452 115.428 115.700 0.301 0.000 2.419 179 S HA -0.148 4.362 4.470 0.068 0.000 0.233 179 S C 2.081 176.753 174.600 0.120 0.000 1.016 179 S CA 0.893 59.216 58.200 0.205 0.000 0.974 179 S CB -1.579 61.734 63.200 0.188 0.000 0.786 179 S HN 0.081 nan 8.310 nan 0.000 0.492 180 I N 1.714 122.324 120.570 0.067 0.000 2.099 180 I HA -0.226 3.985 4.170 0.068 0.000 0.239 180 I C 3.091 179.237 176.117 0.047 0.000 1.066 180 I CA 1.752 63.005 61.300 -0.079 0.000 1.324 180 I CB -0.375 37.476 38.000 -0.248 0.000 1.037 180 I HN 0.251 nan 8.210 nan 0.000 0.401 181 R N 0.714 121.238 120.500 0.040 0.000 2.073 181 R HA -0.108 4.273 4.340 0.068 0.000 0.234 181 R C 2.305 178.665 176.300 0.100 0.000 1.134 181 R CA 1.264 57.406 56.100 0.069 0.000 0.952 181 R CB -0.475 29.846 30.300 0.035 0.000 0.850 181 R HN 0.324 nan 8.270 nan 0.000 0.433 182 L N 0.616 121.889 121.223 0.082 0.000 2.079 182 L HA -0.237 4.144 4.340 0.068 0.000 0.210 182 L C 2.461 179.384 176.870 0.088 0.000 1.081 182 L CA 1.550 56.432 54.840 0.070 0.000 0.752 182 L CB -0.696 41.394 42.059 0.053 0.000 0.896 182 L HN 0.356 nan 8.230 nan 0.000 0.433 183 Q N -0.340 119.543 119.800 0.139 0.000 2.083 183 Q HA -0.180 4.201 4.340 0.068 0.000 0.198 183 Q C 2.281 178.387 176.000 0.177 0.000 0.969 183 Q CA 1.006 56.892 55.803 0.138 0.000 0.838 183 Q CB -0.077 28.795 28.738 0.222 0.000 0.900 183 Q HN 0.319 nan 8.270 nan 0.000 0.436 184 L N 1.458 122.863 121.223 0.304 0.000 2.046 184 L HA -0.185 4.195 4.340 0.068 0.000 0.208 184 L C 1.412 178.439 176.870 0.261 0.000 1.077 184 L CA 1.916 56.962 54.840 0.343 0.000 0.747 184 L CB -0.442 41.841 42.059 0.373 0.000 0.896 184 L HN 0.090 nan 8.230 nan 0.000 0.432 185 D N -0.146 120.354 120.400 0.166 0.000 2.117 185 D HA -0.105 4.575 4.640 0.068 0.000 0.198 185 D C 2.215 178.554 176.300 0.065 0.000 0.982 185 D CA 1.468 55.532 54.000 0.106 0.000 0.828 185 D CB -0.223 40.619 40.800 0.070 0.000 0.967 185 D HN 0.472 nan 8.370 nan 0.000 0.464 186 A N 0.422 123.271 122.820 0.048 0.000 1.933 186 A HA -0.181 4.179 4.320 0.068 0.000 0.218 186 A C 2.040 179.599 177.584 -0.042 0.000 1.175 186 A CA 0.930 52.955 52.037 -0.020 0.000 0.628 186 A CB -0.848 18.125 19.000 -0.045 0.000 0.814 186 A HN 0.225 nan 8.150 nan 0.000 0.444 187 F N 0.517 120.379 119.950 -0.146 0.000 2.113 187 F HA -0.069 4.498 4.527 0.067 0.000 0.297 187 F C 2.336 178.060 175.800 -0.127 0.000 1.103 187 F CA 1.543 59.416 58.000 -0.211 0.000 1.248 187 F CB -0.410 38.447 39.000 -0.237 0.000 0.999 187 F HN 0.110 nan 8.300 nan 0.000 0.475 188 R N 0.228 120.653 120.500 -0.125 0.000 2.083 188 R HA -0.179 4.201 4.340 0.068 0.000 0.237 188 R C 1.883 178.098 176.300 -0.141 0.000 1.137 188 R CA 1.843 57.862 56.100 -0.136 0.000 0.951 188 R CB -0.643 29.694 30.300 0.062 0.000 0.851 188 R HN 0.286 nan 8.270 nan 0.000 0.434 189 D N 0.043 120.394 120.400 -0.080 0.000 2.144 189 D HA -0.139 4.542 4.640 0.068 0.000 0.200 189 D C 1.828 178.102 176.300 -0.044 0.000 0.978 189 D CA 1.282 55.258 54.000 -0.040 0.000 0.833 189 D CB -0.042 40.744 40.800 -0.023 0.000 0.961 189 D HN 0.233 nan 8.370 nan 0.000 0.470 190 M N -0.298 119.203 119.600 -0.166 0.000 2.288 190 M HA -0.051 4.470 4.480 0.068 0.000 0.266 190 M C 1.904 178.213 176.300 0.015 0.000 1.072 190 M CA 0.416 55.595 55.300 -0.201 0.000 1.132 190 M CB 0.109 32.321 32.600 -0.647 0.000 1.386 190 M HN 0.017 nan 8.290 nan 0.000 0.432 191 L N 0.742 121.818 121.223 -0.245 0.000 2.027 191 L HA -0.035 4.345 4.340 0.068 0.000 0.206 191 L C 2.460 179.322 176.870 -0.014 0.000 1.074 191 L CA 2.174 56.879 54.840 -0.224 0.000 0.745 191 L CB -1.096 40.591 42.059 -0.620 0.000 0.898 191 L HN 0.188 nan 8.230 nan 0.000 0.433 192 A N -0.964 121.847 122.820 -0.015 0.000 1.859 192 A HA -0.342 4.019 4.320 0.068 0.000 0.217 192 A C 2.366 180.009 177.584 0.098 0.000 1.198 192 A CA 2.088 54.147 52.037 0.036 0.000 0.629 192 A CB -1.523 17.497 19.000 0.034 0.000 0.830 192 A HN 0.649 nan 8.150 nan 0.000 0.446 193 Y N 0.743 121.078 120.300 0.058 0.000 2.193 193 Y HA -0.181 4.409 4.550 0.066 0.000 0.285 193 Y C 2.574 178.512 175.900 0.063 0.000 1.166 193 Y CA 1.320 59.471 58.100 0.084 0.000 1.181 193 Y CB -0.469 38.087 38.460 0.161 0.000 0.976 193 Y HN 0.323 nan 8.280 nan 0.000 0.520 194 A N 0.288 123.299 122.820 0.319 0.000 1.898 194 A HA -0.156 4.204 4.320 0.068 0.000 0.216 194 A C 2.112 179.692 177.584 -0.007 0.000 1.181 194 A CA 1.668 53.790 52.037 0.142 0.000 0.620 194 A CB -0.609 18.520 19.000 0.214 0.000 0.819 194 A HN 0.619 nan 8.150 nan 0.000 0.442 195 E N 0.238 120.443 120.200 0.008 0.000 2.051 195 E HA -0.211 4.179 4.350 0.068 0.000 0.192 195 E C 1.841 178.401 176.600 -0.066 0.000 0.991 195 E CA 1.278 57.666 56.400 -0.020 0.000 0.799 195 E CB -0.267 29.431 29.700 -0.002 0.000 0.748 195 E HN 0.406 nan 8.360 nan 0.000 0.449 196 K N 1.069 121.406 120.400 -0.105 0.000 2.057 196 K HA -0.131 4.230 4.320 0.068 0.000 0.207 196 K C 1.893 178.375 176.600 -0.195 0.000 1.049 196 K CA 0.982 57.181 56.287 -0.147 0.000 0.931 196 K CB -0.317 32.075 32.500 -0.181 0.000 0.714 196 K HN 0.016 nan 8.250 nan 0.000 0.440 197 E N -0.316 119.713 120.200 -0.285 0.000 2.516 197 E HA 0.001 4.392 4.350 0.068 0.000 0.199 197 E C 0.855 177.364 176.600 -0.153 0.000 1.069 197 E CA 0.727 56.965 56.400 -0.270 0.000 0.876 197 E CB -0.031 29.445 29.700 -0.372 0.000 0.843 197 E HN 0.530 nan 8.360 nan 0.000 0.530 198 G N -1.314 107.418 108.800 -0.113 0.000 2.227 198 G HA2 -0.194 3.807 3.960 0.068 0.000 0.168 198 G HA3 -0.194 3.807 3.960 0.068 0.000 0.168 198 G C -0.035 174.834 174.900 -0.052 0.000 1.006 198 G CA 0.005 45.060 45.100 -0.075 0.000 0.684 198 G HN 0.104 nan 8.290 nan 0.000 0.489 199 V N 1.736 121.620 119.914 -0.050 0.000 2.461 199 V HA 0.542 4.703 4.120 0.068 0.000 0.275 199 V C -0.387 175.709 176.094 0.004 0.000 1.047 199 V CA 0.096 62.384 62.300 -0.021 0.000 0.955 199 V CB 1.655 33.468 31.823 -0.017 0.000 0.988 199 V HN 0.293 nan 8.190 nan 0.000 0.471 200 D N 6.815 127.226 120.400 0.017 0.000 2.432 200 D HA 0.401 5.082 4.640 0.068 0.000 0.265 200 D C -2.311 174.022 176.300 0.054 0.000 1.160 200 D CA -1.518 52.502 54.000 0.032 0.000 0.911 200 D CB 1.394 42.209 40.800 0.025 0.000 1.052 200 D HN 0.322 nan 8.370 nan 0.000 0.508 201 P HA 0.228 nan 4.420 nan 0.000 0.277 201 P C 0.494 177.860 177.300 0.109 0.000 1.240 201 P CA -0.250 62.909 63.100 0.099 0.000 0.798 201 P CB 1.841 33.610 31.700 0.115 0.000 0.979 202 E N -0.102 120.176 120.200 0.130 0.000 2.112 202 E HA 0.011 4.402 4.350 0.068 0.000 0.190 202 E C 0.432 177.118 176.600 0.143 0.000 0.979 202 E CA 0.828 57.315 56.400 0.145 0.000 0.814 202 E CB 0.247 30.063 29.700 0.193 0.000 0.762 202 E HN 0.407 nan 8.360 nan 0.000 0.460 203 V N -1.360 118.634 119.914 0.134 0.000 2.841 203 V HA 0.600 4.760 4.120 0.068 0.000 0.310 203 V C -1.028 175.193 176.094 0.212 0.000 1.090 203 V CA -1.147 61.225 62.300 0.119 0.000 0.930 203 V CB 2.052 33.831 31.823 -0.074 0.000 1.014 203 V HN -0.063 nan 8.190 nan 0.000 0.425 204 R N 2.376 123.017 120.500 0.234 0.000 2.439 204 R HA 0.778 5.158 4.340 0.068 0.000 0.310 204 R C -1.042 175.387 176.300 0.216 0.000 0.955 204 R CA -0.493 55.727 56.100 0.200 0.000 0.853 204 R CB 1.621 31.994 30.300 0.122 0.000 1.171 204 R HN 1.160 nan 8.270 nan 0.000 0.449 205 H N -0.091 118.970 119.070 -0.015 0.000 3.012 205 H HA 0.516 5.109 4.556 0.061 0.000 0.367 205 H C -0.372 174.747 175.328 -0.348 0.000 1.211 205 H CA -1.048 54.929 56.048 -0.119 0.000 1.139 205 H CB 1.835 31.526 29.762 -0.119 0.000 1.838 205 H HN 0.500 nan 8.280 nan 0.000 0.550 206 I N -0.202 120.201 120.570 -0.280 0.000 5.242 206 I HA 0.422 4.632 4.170 0.068 0.000 0.360 206 I C -0.162 175.826 176.117 -0.216 0.000 1.201 206 I CA -0.012 60.951 61.300 -0.562 0.000 1.527 206 I CB 0.322 37.628 38.000 -1.156 0.000 1.769 206 I HN 0.791 nan 8.210 nan 0.000 0.603 207 A N 2.209 125.095 122.820 0.111 0.000 2.388 207 A HA 0.468 4.828 4.320 0.068 0.000 0.257 207 A C -0.145 177.581 177.584 0.237 0.000 1.095 207 A CA -0.211 52.003 52.037 0.296 0.000 0.791 207 A CB 0.115 19.326 19.000 0.351 0.000 1.029 207 A HN 0.592 nan 8.150 nan 0.000 0.489 208 N N 1.019 119.892 118.700 0.288 0.000 2.823 208 N HA 0.300 5.081 4.740 0.068 0.000 0.324 208 N C 0.848 176.475 175.510 0.196 0.000 1.336 208 N CA -0.102 53.103 53.050 0.258 0.000 0.861 208 N CB -0.208 38.488 38.487 0.349 0.000 1.157 208 N HN 0.278 nan 8.380 nan 0.000 0.585 209 S N 0.258 116.072 115.700 0.191 0.000 2.348 209 S HA -0.033 4.478 4.470 0.068 0.000 0.221 209 S C -1.045 173.627 174.600 0.120 0.000 1.033 209 S CA 1.565 59.842 58.200 0.128 0.000 1.010 209 S CB -1.066 62.206 63.200 0.119 0.000 0.891 209 S HN 0.656 nan 8.310 nan 0.000 0.442 210 P HA -0.026 nan 4.420 nan 0.000 0.217 210 P C 1.232 178.572 177.300 0.067 0.000 1.150 210 P CA 1.462 64.619 63.100 0.095 0.000 0.832 210 P CB -0.144 31.610 31.700 0.091 0.000 0.787 211 A N -0.209 122.664 122.820 0.090 0.000 1.898 211 A HA -0.117 4.244 4.320 0.068 0.000 0.216 211 A C 2.355 180.042 177.584 0.172 0.000 1.181 211 A CA 2.260 54.346 52.037 0.082 0.000 0.620 211 A CB -1.937 17.176 19.000 0.189 0.000 0.819 211 A HN 0.169 nan 8.150 nan 0.000 0.442 212 T N 0.509 115.179 114.554 0.193 0.000 2.803 212 T HA -0.098 4.293 4.350 0.068 0.000 0.269 212 T C 1.602 176.422 174.700 0.200 0.000 1.052 212 T CA 1.548 63.768 62.100 0.199 0.000 1.136 212 T CB -0.336 68.557 68.868 0.042 0.000 0.864 212 T HN 0.377 nan 8.240 nan 0.000 0.467 213 L N 0.799 122.092 121.223 0.117 0.000 2.418 213 L HA 0.065 4.445 4.340 0.068 0.000 0.218 213 L C 2.643 179.557 176.870 0.073 0.000 1.125 213 L CA 1.056 55.946 54.840 0.083 0.000 0.835 213 L CB -0.355 41.734 42.059 0.050 0.000 0.953 213 L HN 0.431 nan 8.230 nan 0.000 0.454 214 T N -4.254 110.341 114.554 0.067 0.000 3.058 214 T HA 0.187 4.578 4.350 0.068 0.000 0.247 214 T C 0.554 175.251 174.700 -0.005 0.000 0.987 214 T CA -0.177 61.936 62.100 0.022 0.000 1.062 214 T CB 0.267 69.132 68.868 -0.006 0.000 1.048 214 T HN -0.159 nan 8.240 nan 0.000 0.468 215 L N 3.890 125.110 121.223 -0.005 0.000 2.360 215 L HA 0.461 4.841 4.340 0.068 0.000 0.265 215 L C -1.949 174.817 176.870 -0.174 0.000 1.066 215 L CA -2.949 51.854 54.840 -0.062 0.000 0.929 215 L CB 0.661 42.684 42.059 -0.061 0.000 1.306 215 L HN 0.075 nan 8.230 nan 0.000 0.434 216 P HA -0.160 nan 4.420 nan 0.000 0.226 216 P C 0.817 177.723 177.300 -0.657 0.000 1.146 216 P CA 0.996 63.534 63.100 -0.936 0.000 0.773 216 P CB 0.329 31.748 31.700 -0.467 0.000 0.772 217 E N 0.010 120.025 120.200 -0.309 0.000 2.482 217 E HA -0.052 4.339 4.350 0.068 0.000 0.196 217 E C 1.113 177.609 176.600 -0.172 0.000 1.047 217 E CA 1.174 57.438 56.400 -0.226 0.000 0.869 217 E CB -1.095 28.533 29.700 -0.119 0.000 0.836 217 E HN 0.314 nan 8.360 nan 0.000 0.520 218 T N -2.230 112.330 114.554 0.010 0.000 3.060 218 T HA 0.057 4.447 4.350 0.068 0.000 0.249 218 T C 1.258 176.281 174.700 0.538 0.000 1.079 218 T CA -0.030 62.298 62.100 0.379 0.000 1.013 218 T CB -0.215 68.953 68.868 0.500 0.000 0.975 218 T HN 0.027 nan 8.240 nan 0.000 0.518 219 H N 1.407 120.570 119.070 0.155 0.000 2.267 219 H HA 0.173 4.766 4.556 0.061 0.000 0.297 219 H C 0.973 176.495 175.328 0.323 0.000 1.080 219 H CA 0.747 56.901 56.048 0.177 0.000 1.278 219 H CB -0.777 29.024 29.762 0.065 0.000 1.365 219 H HN 0.403 nan 8.280 nan 0.000 0.489 220 F N -0.666 119.431 119.950 0.246 0.000 2.183 220 F HA -0.388 4.161 4.527 0.037 0.000 0.318 220 F C 1.769 177.659 175.800 0.149 0.000 0.302 220 F CA 1.528 59.642 58.000 0.190 0.000 0.912 220 F CB -0.897 38.240 39.000 0.228 0.000 4.134 220 F HN 0.186 nan 8.300 nan 0.000 0.138 221 D N 0.390 121.023 120.400 0.387 0.000 2.271 221 D HA 0.203 4.884 4.640 0.068 0.000 0.206 221 D C 0.349 176.706 176.300 0.095 0.000 0.967 221 D CA 1.062 55.182 54.000 0.200 0.000 0.867 221 D CB 0.472 41.374 40.800 0.170 0.000 0.960 221 D HN 0.135 nan 8.370 nan 0.000 0.509 222 L N 0.899 122.170 121.223 0.079 0.000 2.445 222 L HA 0.333 4.714 4.340 0.068 0.000 0.262 222 L C -1.344 175.512 176.870 -0.024 0.000 0.974 222 L CA -0.985 53.797 54.840 -0.097 0.000 0.822 222 L CB 2.840 44.622 42.059 -0.462 0.000 1.339 222 L HN -0.242 nan 8.230 nan 0.000 0.409 223 V N 0.679 120.549 119.914 -0.073 0.000 2.495 223 V HA 0.594 4.755 4.120 0.068 0.000 0.298 223 V C -0.413 175.647 176.094 -0.057 0.000 1.031 223 V CA -0.800 61.479 62.300 -0.034 0.000 0.871 223 V CB 1.616 33.380 31.823 -0.100 0.000 0.988 223 V HN 0.739 nan 8.190 nan 0.000 0.432 224 R N 3.113 123.608 120.500 -0.008 0.000 2.287 224 R HA 0.461 4.841 4.340 0.068 0.000 0.327 224 R C -0.062 176.271 176.300 0.055 0.000 1.109 224 R CA -0.138 55.965 56.100 0.005 0.000 1.013 224 R CB 1.073 31.372 30.300 -0.003 0.000 1.126 224 R HN 0.966 nan 8.270 nan 0.000 0.503 225 T N -1.031 113.534 114.554 0.018 0.000 2.743 225 T HA 0.428 4.819 4.350 0.068 0.000 0.292 225 T C 0.853 175.523 174.700 -0.050 0.000 0.972 225 T CA -0.754 61.343 62.100 -0.005 0.000 0.967 225 T CB 1.952 70.782 68.868 -0.065 0.000 0.926 225 T HN 0.497 nan 8.240 nan 0.000 0.459 226 G N 2.112 110.902 108.800 -0.016 0.000 2.651 226 G HA2 0.203 4.204 3.960 0.068 0.000 0.226 226 G HA3 0.203 4.204 3.960 0.068 0.000 0.226 226 G C 0.992 175.609 174.900 -0.471 0.000 1.542 226 G CA -0.120 44.874 45.100 -0.177 0.000 0.868 226 G HN 0.608 nan 8.290 nan 0.000 0.588 227 L N 1.723 122.764 121.223 -0.303 0.000 1.997 227 L HA -0.068 4.313 4.340 0.068 0.000 0.216 227 L C 3.125 179.861 176.870 -0.223 0.000 1.074 227 L CA 2.685 57.372 54.840 -0.256 0.000 0.763 227 L CB -0.700 41.174 42.059 -0.308 0.000 0.890 227 L HN 0.305 nan 8.230 nan 0.000 0.434 228 A N -1.466 121.245 122.820 -0.181 0.000 1.986 228 A HA -0.200 4.160 4.320 0.068 0.000 0.220 228 A C 2.268 179.703 177.584 -0.248 0.000 1.171 228 A CA 1.960 53.903 52.037 -0.158 0.000 0.640 228 A CB -1.154 17.789 19.000 -0.096 0.000 0.811 228 A HN 0.355 nan 8.150 nan 0.000 0.451 229 V N -1.720 117.936 119.914 -0.430 0.000 2.594 229 V HA -0.245 3.915 4.120 0.068 0.000 0.253 229 V C 1.735 177.409 176.094 -0.701 0.000 1.069 229 V CA 1.607 63.547 62.300 -0.600 0.000 1.082 229 V CB -0.976 30.346 31.823 -0.835 0.000 0.680 229 V HN 0.754 nan 8.190 nan 0.000 0.469 230 Y N -0.133 119.993 120.300 -0.289 0.000 2.493 230 Y HA 0.468 5.059 4.550 0.069 0.000 0.275 230 Y C 1.776 177.583 175.900 -0.155 0.000 1.183 230 Y CA 0.343 58.245 58.100 -0.330 0.000 1.258 230 Y CB 0.071 38.157 38.460 -0.624 0.000 1.108 230 Y HN 0.270 nan 8.280 nan 0.000 0.521 231 G N 0.515 109.281 108.800 -0.057 0.000 2.147 231 G HA2 -0.250 3.750 3.960 0.068 0.000 0.244 231 G HA3 -0.250 3.750 3.960 0.068 0.000 0.244 231 G C -0.403 174.502 174.900 0.008 0.000 1.005 231 G CA 0.194 45.286 45.100 -0.014 0.000 0.713 231 G HN 0.166 nan 8.290 nan 0.000 0.515 232 V N 0.406 120.316 119.914 -0.007 0.000 2.555 232 V HA 0.748 4.909 4.120 0.068 0.000 0.302 232 V C 0.709 176.772 176.094 -0.050 0.000 1.038 232 V CA -0.102 62.192 62.300 -0.010 0.000 0.887 232 V CB 1.865 33.688 31.823 0.000 0.000 0.991 232 V HN 0.682 nan 8.190 nan 0.000 0.434 233 S N 5.161 120.845 115.700 -0.026 0.000 2.513 233 S HA 0.343 4.854 4.470 0.068 0.000 0.276 233 S C -1.383 173.205 174.600 -0.021 0.000 1.254 233 S CA -1.106 57.084 58.200 -0.017 0.000 1.053 233 S CB 1.331 64.538 63.200 0.011 0.000 0.958 233 S HN 0.589 nan 8.310 nan 0.000 0.491 234 P HA -0.036 nan 4.420 nan 0.000 0.217 234 P C 0.117 177.526 177.300 0.182 0.000 1.148 234 P CA 0.949 64.118 63.100 0.116 0.000 0.834 234 P CB 0.122 31.936 31.700 0.189 0.000 0.783 235 S N -3.828 111.936 115.700 0.107 0.000 2.565 235 S HA 0.341 4.851 4.470 0.068 0.000 0.274 235 S C -2.516 172.123 174.600 0.065 0.000 1.144 235 S CA -1.270 56.989 58.200 0.099 0.000 0.849 235 S CB 0.957 64.216 63.200 0.099 0.000 1.103 235 S HN -0.265 nan 8.310 nan 0.000 0.455 236 P HA -0.051 nan 4.420 nan 0.000 0.220 236 P C 0.889 178.210 177.300 0.036 0.000 1.148 236 P CA 1.164 64.290 63.100 0.043 0.000 0.803 236 P CB -0.012 31.714 31.700 0.042 0.000 0.782 237 E N -0.139 120.084 120.200 0.038 0.000 2.085 237 E HA -0.154 4.237 4.350 0.068 0.000 0.194 237 E C 1.876 178.492 176.600 0.026 0.000 0.994 237 E CA 0.940 57.358 56.400 0.030 0.000 0.801 237 E CB -0.680 29.039 29.700 0.031 0.000 0.743 237 E HN 0.189 nan 8.360 nan 0.000 0.453 238 L N -0.618 120.624 121.223 0.031 0.000 2.376 238 L HA 0.082 4.462 4.340 0.068 0.000 0.219 238 L C 1.064 177.948 176.870 0.023 0.000 1.133 238 L CA 1.078 55.934 54.840 0.027 0.000 0.816 238 L CB -0.165 41.914 42.059 0.034 0.000 0.933 238 L HN 0.250 nan 8.230 nan 0.000 0.449 239 G N -1.545 107.270 108.800 0.024 0.000 2.384 239 G HA2 -0.021 3.980 3.960 0.068 0.000 0.668 239 G HA3 -0.021 3.980 3.960 0.068 0.000 0.668 239 G C -0.278 174.634 174.900 0.021 0.000 1.280 239 G CA -0.471 44.641 45.100 0.020 0.000 0.992 239 G HN 0.195 nan 8.290 nan 0.000 0.512 240 T N -1.463 113.102 114.554 0.018 0.000 2.902 240 T HA 0.691 5.082 4.350 0.068 0.000 0.280 240 T C -1.150 173.559 174.700 0.015 0.000 0.992 240 T CA -0.768 61.343 62.100 0.019 0.000 1.015 240 T CB 2.063 70.942 68.868 0.019 0.000 1.044 240 T HN 0.283 nan 8.240 nan 0.000 0.520 241 P HA -0.031 nan 4.420 nan 0.000 0.218 241 P C 1.543 178.847 177.300 0.008 0.000 1.148 241 P CA 1.401 64.507 63.100 0.008 0.000 0.822 241 P CB -0.287 31.421 31.700 0.012 0.000 0.784 242 A N 0.094 122.920 122.820 0.011 0.000 1.877 242 A HA -0.251 4.110 4.320 0.068 0.000 0.216 242 A C 2.224 179.813 177.584 0.008 0.000 1.186 242 A CA 1.580 53.623 52.037 0.010 0.000 0.620 242 A CB -1.249 17.758 19.000 0.012 0.000 0.822 242 A HN 0.232 nan 8.150 nan 0.000 0.443 243 Q N -0.804 119.002 119.800 0.009 0.000 2.079 243 Q HA -0.094 4.286 4.340 0.068 0.000 0.200 243 Q C 1.593 177.598 176.000 0.008 0.000 0.974 243 Q CA 1.073 56.881 55.803 0.009 0.000 0.840 243 Q CB -0.351 28.393 28.738 0.010 0.000 0.898 243 Q HN 0.467 nan 8.270 nan 0.000 0.430 244 L N -0.264 120.963 121.223 0.007 0.000 2.465 244 L HA 0.071 4.452 4.340 0.068 0.000 0.224 244 L C 1.319 178.190 176.870 0.001 0.000 1.145 244 L CA 1.588 56.431 54.840 0.005 0.000 0.834 244 L CB -0.782 41.279 42.059 0.003 0.000 0.944 244 L HN 0.469 nan 8.230 nan 0.000 0.451 245 G N -1.043 107.758 108.800 0.001 0.000 2.149 245 G HA2 -0.219 3.781 3.960 0.068 0.000 0.235 245 G HA3 -0.219 3.781 3.960 0.068 0.000 0.235 245 G C -0.049 174.846 174.900 -0.008 0.000 1.018 245 G CA -0.105 44.994 45.100 -0.001 0.000 0.728 245 G HN 0.122 nan 8.290 nan 0.000 0.508 246 L N -0.585 120.633 121.223 -0.009 0.000 2.334 246 L HA 0.814 5.195 4.340 0.068 0.000 0.272 246 L C 0.630 177.496 176.870 -0.006 0.000 1.020 246 L CA -1.357 53.472 54.840 -0.017 0.000 0.812 246 L CB 1.670 43.714 42.059 -0.026 0.000 1.264 246 L HN 0.281 nan 8.230 nan 0.000 0.439 247 R N 2.203 122.698 120.500 -0.007 0.000 2.439 247 R HA 0.499 4.880 4.340 0.068 0.000 0.310 247 R C -2.483 173.828 176.300 0.019 0.000 0.955 247 R CA -1.684 54.420 56.100 0.008 0.000 0.853 247 R CB 1.656 31.961 30.300 0.008 0.000 1.171 247 R HN 0.318 nan 8.270 nan 0.000 0.449 248 P HA -0.001 nan 4.420 nan 0.000 0.264 248 P C -0.572 176.777 177.300 0.081 0.000 1.193 248 P CA 0.329 63.467 63.100 0.063 0.000 0.763 248 P CB 1.304 33.039 31.700 0.059 0.000 0.810 249 A N 3.990 126.893 122.820 0.139 0.000 2.095 249 A HA 0.114 4.475 4.320 0.068 0.000 0.212 249 A C 0.952 178.643 177.584 0.179 0.000 1.162 249 A CA 0.595 52.733 52.037 0.169 0.000 0.753 249 A CB -0.292 18.839 19.000 0.217 0.000 0.840 249 A HN 0.552 nan 8.150 nan 0.000 0.468 250 M N 1.046 120.751 119.600 0.175 0.000 2.300 250 M HA 0.434 4.955 4.480 0.068 0.000 0.348 250 M C -1.514 174.759 176.300 -0.045 0.000 1.151 250 M CA 0.128 55.427 55.300 -0.001 0.000 1.046 250 M CB 1.578 34.065 32.600 -0.189 0.000 1.647 250 M HN 0.054 nan 8.290 nan 0.000 0.451 251 T N 5.493 119.986 114.554 -0.101 0.000 2.906 251 T HA 0.406 4.796 4.350 0.068 0.000 0.302 251 T C -1.160 173.413 174.700 -0.211 0.000 1.002 251 T CA -0.528 61.501 62.100 -0.118 0.000 0.988 251 T CB 1.091 69.905 68.868 -0.090 0.000 0.972 251 T HN 0.596 nan 8.240 nan 0.000 0.447 252 L N 4.399 125.492 121.223 -0.217 0.000 2.265 252 L HA 0.602 4.982 4.340 0.068 0.000 0.288 252 L C -0.025 176.661 176.870 -0.307 0.000 1.058 252 L CA 0.049 54.719 54.840 -0.283 0.000 0.809 252 L CB 0.295 42.203 42.059 -0.252 0.000 1.179 252 L HN 0.501 nan 8.230 nan 0.000 0.429 253 R N 3.426 123.627 120.500 -0.499 0.000 2.740 253 R HA 0.934 5.315 4.340 0.068 0.000 0.282 253 R C -1.296 174.808 176.300 -0.327 0.000 0.969 253 R CA -0.759 55.071 56.100 -0.450 0.000 0.918 253 R CB 2.051 31.956 30.300 -0.658 0.000 1.175 253 R HN 0.752 nan 8.270 nan 0.000 0.464 254 A N 0.885 123.618 122.820 -0.146 0.000 2.539 254 A HA 0.613 4.974 4.320 0.068 0.000 0.296 254 A C -1.116 176.454 177.584 -0.024 0.000 1.073 254 A CA -0.626 51.374 52.037 -0.061 0.000 0.700 254 A CB 2.109 21.068 19.000 -0.069 0.000 1.296 254 A HN 0.544 nan 8.150 nan 0.000 0.405 255 S N 1.019 116.719 115.700 -0.001 0.000 2.462 255 S HA 0.518 5.028 4.470 0.068 0.000 0.294 255 S C 0.006 174.583 174.600 -0.039 0.000 1.144 255 S CA -0.470 57.727 58.200 -0.005 0.000 1.088 255 S CB 0.578 63.788 63.200 0.016 0.000 1.009 255 S HN 0.544 nan 8.310 nan 0.000 0.484 256 L N 2.578 123.772 121.223 -0.048 0.000 2.490 256 L HA 0.089 4.470 4.340 0.068 0.000 0.274 256 L C 1.266 178.102 176.870 -0.057 0.000 1.201 256 L CA -0.226 54.573 54.840 -0.068 0.000 0.869 256 L CB 0.360 42.382 42.059 -0.060 0.000 1.123 256 L HN 0.877 nan 8.230 nan 0.000 0.484 257 A N 4.451 127.230 122.820 -0.069 0.000 2.169 257 A HA 0.380 4.740 4.320 0.068 0.000 0.210 257 A C 0.102 177.658 177.584 -0.047 0.000 1.168 257 A CA 0.328 52.333 52.037 -0.054 0.000 0.813 257 A CB 0.389 19.354 19.000 -0.059 0.000 0.861 257 A HN 0.503 nan 8.150 nan 0.000 0.481 258 L N -1.812 119.380 121.223 -0.052 0.000 2.731 258 L HA 0.528 4.908 4.340 0.068 0.000 0.256 258 L C -2.033 174.814 176.870 -0.038 0.000 0.947 258 L CA -0.291 54.525 54.840 -0.040 0.000 0.914 258 L CB 2.123 44.159 42.059 -0.039 0.000 1.470 258 L HN -0.102 nan 8.230 nan 0.000 0.421 259 V N 3.714 123.615 119.914 -0.021 0.000 2.668 259 V HA 0.732 4.893 4.120 0.068 0.000 0.304 259 V C -0.905 175.201 176.094 0.019 0.000 1.071 259 V CA -0.575 61.724 62.300 -0.002 0.000 0.894 259 V CB 1.912 33.732 31.823 -0.005 0.000 1.008 259 V HN 0.852 nan 8.190 nan 0.000 0.425 260 K N 1.553 121.972 120.400 0.031 0.000 2.522 260 K HA 0.735 5.096 4.320 0.068 0.000 0.275 260 K C -1.208 175.393 176.600 0.002 0.000 1.006 260 K CA -0.758 55.540 56.287 0.019 0.000 0.890 260 K CB 2.361 34.846 32.500 -0.025 0.000 1.475 260 K HN 0.389 nan 8.250 nan 0.000 0.441 261 T N 1.322 115.844 114.554 -0.053 0.000 2.837 261 T HA 0.478 4.869 4.350 0.068 0.000 0.285 261 T C -0.431 174.171 174.700 -0.163 0.000 0.984 261 T CA -0.630 61.366 62.100 -0.173 0.000 1.049 261 T CB 1.098 69.844 68.868 -0.203 0.000 0.947 261 T HN 0.496 nan 8.240 nan 0.000 0.472 262 V N 1.513 121.315 119.914 -0.185 0.000 2.914 262 V HA 0.828 4.989 4.120 0.068 0.000 0.314 262 V C -2.782 173.234 176.094 -0.130 0.000 1.084 262 V CA -2.949 59.228 62.300 -0.205 0.000 0.963 262 V CB 1.867 33.513 31.823 -0.294 0.000 1.025 262 V HN 0.587 nan 8.190 nan 0.000 0.432 263 P HA 0.414 nan 4.420 nan 0.000 0.276 263 P C -0.222 177.082 177.300 0.006 0.000 1.261 263 P CA -0.133 62.951 63.100 -0.027 0.000 0.800 263 P CB 1.031 32.734 31.700 0.004 0.000 1.066 264 A N 0.073 122.890 122.820 -0.005 0.000 2.445 264 A HA 0.452 4.813 4.320 0.068 0.000 0.242 264 A C 1.391 178.973 177.584 -0.004 0.000 1.075 264 A CA 0.626 52.658 52.037 -0.008 0.000 0.777 264 A CB -1.486 17.502 19.000 -0.020 0.000 1.013 264 A HN 0.890 nan 8.150 nan 0.000 0.493 265 G N -0.049 108.733 108.800 -0.030 0.000 2.159 265 G HA2 -0.252 3.749 3.960 0.068 0.000 0.256 265 G HA3 -0.252 3.749 3.960 0.068 0.000 0.256 265 G C 0.153 175.010 174.900 -0.072 0.000 0.977 265 G CA 0.852 45.916 45.100 -0.061 0.000 0.652 265 G HN 1.410 nan 8.290 nan 0.000 0.531 266 H N 0.674 119.682 119.070 -0.104 0.000 2.610 266 H HA 0.523 5.120 4.556 0.067 0.000 0.336 266 H C 1.139 176.374 175.328 -0.154 0.000 1.087 266 H CA 0.802 56.786 56.048 -0.107 0.000 1.405 266 H CB 0.824 30.559 29.762 -0.046 0.000 1.460 266 H HN 0.374 nan 8.280 nan 0.000 0.538 267 G N 2.910 111.412 108.800 -0.496 0.000 2.467 267 G HA2 0.417 4.418 3.960 0.068 0.000 0.257 267 G HA3 0.417 4.418 3.960 0.068 0.000 0.257 267 G C -1.059 173.903 174.900 0.103 0.000 1.227 267 G CA -0.498 44.279 45.100 -0.538 0.000 0.835 267 G HN 0.560 nan 8.290 nan 0.000 0.556 268 V N 1.411 121.507 119.914 0.303 0.000 2.483 268 V HA 0.642 4.802 4.120 0.068 0.000 0.297 268 V C 0.450 176.722 176.094 0.297 0.000 1.027 268 V CA -0.066 62.441 62.300 0.346 0.000 0.855 268 V CB 0.532 32.586 31.823 0.385 0.000 0.995 268 V HN 1.390 nan 8.190 nan 0.000 0.424 269 S N 3.252 119.049 115.700 0.161 0.000 3.859 269 S HA -0.168 4.342 4.470 0.068 0.000 0.678 269 S C -0.445 174.161 174.600 0.011 0.000 1.658 269 S CA -0.224 57.973 58.200 -0.005 0.000 1.761 269 S CB -0.458 62.776 63.200 0.057 0.000 0.350 269 S HN 0.735 nan 8.310 nan 0.000 1.312 270 Y N 1.494 121.846 120.300 0.088 0.000 2.903 270 Y HA 0.270 4.861 4.550 0.067 0.000 0.338 270 Y C 2.028 177.962 175.900 0.057 0.000 1.265 270 Y CA 1.257 59.380 58.100 0.038 0.000 1.532 270 Y CB -0.423 38.091 38.460 0.090 0.000 1.293 270 Y HN 1.501 nan 8.280 nan 0.000 0.609 271 G N 0.999 109.855 108.800 0.093 0.000 2.257 271 G HA2 -0.386 3.614 3.960 0.068 0.000 0.267 271 G HA3 -0.386 3.614 3.960 0.068 0.000 0.267 271 G C 0.211 174.902 174.900 -0.349 0.000 0.984 271 G CA 0.374 45.383 45.100 -0.152 0.000 0.626 271 G HN 0.993 nan 8.290 nan 0.000 0.540 272 H N -1.078 117.912 119.070 -0.134 0.000 2.756 272 H HA -0.160 4.436 4.556 0.068 0.000 0.315 272 H C 1.190 176.429 175.328 -0.147 0.000 1.210 272 H CA 1.412 57.402 56.048 -0.096 0.000 1.150 272 H CB -1.735 27.966 29.762 -0.102 0.000 1.463 272 H HN 0.845 nan 8.280 nan 0.000 0.427 273 H N -1.840 117.370 119.070 0.233 0.000 2.547 273 H HA 0.134 4.731 4.556 0.068 0.000 0.266 273 H C 0.415 175.864 175.328 0.202 0.000 0.988 273 H CA 0.861 57.015 56.048 0.177 0.000 1.147 273 H CB 0.432 30.287 29.762 0.155 0.000 1.365 273 H HN 0.426 nan 8.280 nan 0.000 0.589 274 Y N 0.267 120.662 120.300 0.159 0.000 2.442 274 Y HA 0.483 5.074 4.550 0.068 0.000 0.344 274 Y C -1.492 174.435 175.900 0.046 0.000 0.976 274 Y CA -1.234 56.928 58.100 0.103 0.000 1.040 274 Y CB 1.375 39.904 38.460 0.114 0.000 1.228 274 Y HN -0.287 nan 8.280 nan 0.000 0.451 275 V N 4.832 124.361 119.914 -0.641 0.000 2.577 275 V HA 0.292 4.452 4.120 0.068 0.000 0.303 275 V C -0.538 175.194 176.094 -0.603 0.000 1.042 275 V CA -0.851 61.186 62.300 -0.439 0.000 0.872 275 V CB 2.157 33.813 31.823 -0.278 0.000 0.998 275 V HN 0.905 nan 8.190 nan 0.000 0.423 276 T N 0.766 115.169 114.554 -0.250 0.000 2.934 276 T HA 0.087 4.477 4.350 0.068 0.000 0.306 276 T C 0.801 175.426 174.700 -0.126 0.000 1.042 276 T CA 0.023 62.062 62.100 -0.103 0.000 1.145 276 T CB 1.081 69.980 68.868 0.053 0.000 0.982 276 T HN 0.769 nan 8.240 nan 0.000 0.544 277 E N 1.357 121.503 120.200 -0.090 0.000 2.299 277 E HA 0.080 4.471 4.350 0.068 0.000 0.193 277 E C 0.694 177.274 176.600 -0.034 0.000 0.998 277 E CA 0.445 56.805 56.400 -0.067 0.000 0.851 277 E CB 0.335 30.010 29.700 -0.042 0.000 0.795 277 E HN 0.903 nan 8.360 nan 0.000 0.492 278 S N -1.464 114.226 115.700 -0.016 0.000 2.672 278 S HA 0.230 4.740 4.470 0.068 0.000 0.271 278 S C -0.806 173.782 174.600 -0.019 0.000 1.171 278 S CA -1.061 57.130 58.200 -0.015 0.000 0.817 278 S CB 0.972 64.168 63.200 -0.007 0.000 1.150 278 S HN -0.001 nan 8.310 nan 0.000 0.478 279 E N 0.884 121.063 120.200 -0.034 0.000 2.383 279 E HA 0.295 4.686 4.350 0.068 0.000 0.257 279 E C -0.531 176.011 176.600 -0.097 0.000 1.079 279 E CA 0.454 56.813 56.400 -0.068 0.000 0.934 279 E CB 0.342 29.999 29.700 -0.071 0.000 0.978 279 E HN 0.538 nan 8.360 nan 0.000 0.462 280 T N 2.975 117.458 114.554 -0.118 0.000 2.838 280 T HA 0.328 4.718 4.350 0.068 0.000 0.292 280 T C -1.361 173.204 174.700 -0.226 0.000 1.113 280 T CA -0.705 61.322 62.100 -0.122 0.000 1.008 280 T CB 0.735 69.614 68.868 0.019 0.000 1.259 280 T HN 0.466 nan 8.240 nan 0.000 0.520 281 H N 1.207 120.279 119.070 0.004 0.000 2.594 281 H HA 0.570 5.167 4.556 0.068 0.000 0.304 281 H C -0.343 174.979 175.328 -0.010 0.000 1.068 281 H CA -0.367 55.675 56.048 -0.010 0.000 1.308 281 H CB 0.617 30.372 29.762 -0.011 0.000 1.409 281 H HN 0.261 nan 8.280 nan 0.000 0.460 282 L N 2.320 123.583 121.223 0.065 0.000 2.334 282 L HA 0.724 5.105 4.340 0.068 0.000 0.275 282 L C 0.082 176.955 176.870 0.005 0.000 1.036 282 L CA -0.982 53.872 54.840 0.024 0.000 0.807 282 L CB 1.461 43.518 42.059 -0.002 0.000 1.231 282 L HN 0.635 nan 8.230 nan 0.000 0.438 283 A N 2.821 125.623 122.820 -0.030 0.000 2.386 283 A HA 0.709 5.070 4.320 0.068 0.000 0.311 283 A C -1.345 176.169 177.584 -0.118 0.000 1.068 283 A CA -0.500 51.500 52.037 -0.062 0.000 0.743 283 A CB 1.698 20.660 19.000 -0.062 0.000 1.258 283 A HN 0.541 nan 8.150 nan 0.000 0.429 284 L N 3.139 124.285 121.223 -0.128 0.000 2.265 284 L HA 0.576 4.957 4.340 0.068 0.000 0.289 284 L C -0.806 175.916 176.870 -0.246 0.000 1.033 284 L CA -0.169 54.564 54.840 -0.178 0.000 0.814 284 L CB 1.375 43.364 42.059 -0.117 0.000 1.203 284 L HN 0.410 nan 8.230 nan 0.000 0.423 285 V N 7.932 127.580 119.914 -0.444 0.000 2.385 285 V HA 0.350 4.510 4.120 0.068 0.000 0.269 285 V C -1.753 174.137 176.094 -0.340 0.000 1.043 285 V CA -1.106 60.898 62.300 -0.494 0.000 0.906 285 V CB 1.048 32.273 31.823 -0.997 0.000 0.995 285 V HN 0.715 nan 8.190 nan 0.000 0.467 286 P HA 0.358 nan 4.420 nan 0.000 0.218 286 P C -0.442 176.826 177.300 -0.053 0.000 1.793 286 P CA 0.196 63.237 63.100 -0.098 0.000 0.941 286 P CB 0.388 32.047 31.700 -0.069 0.000 1.919 287 A N 0.262 123.073 122.820 -0.015 0.000 2.488 287 A HA 0.739 5.099 4.320 0.068 0.000 0.295 287 A C -0.228 177.440 177.584 0.140 0.000 1.045 287 A CA -0.469 51.591 52.037 0.038 0.000 0.703 287 A CB 1.528 20.548 19.000 0.033 0.000 1.271 287 A HN 0.339 nan 8.150 nan 0.000 0.400 288 G N -0.357 108.463 108.800 0.033 0.000 3.222 288 G HA2 0.501 4.501 3.960 0.068 0.000 0.263 288 G HA3 0.501 4.501 3.960 0.068 0.000 0.263 288 G C 0.436 175.312 174.900 -0.040 0.000 1.312 288 G CA 0.213 45.318 45.100 0.007 0.000 0.934 288 G HN 1.322 nan 8.290 nan 0.000 0.577 289 Y N -1.196 119.121 120.300 0.028 0.000 2.403 289 Y HA 0.229 4.819 4.550 0.067 0.000 0.291 289 Y C 2.443 178.337 175.900 -0.009 0.000 1.143 289 Y CA 1.142 59.239 58.100 -0.005 0.000 1.257 289 Y CB -0.783 37.681 38.460 0.006 0.000 0.984 289 Y HN 0.312 nan 8.280 nan 0.000 0.550 290 A N 0.448 123.229 122.820 -0.065 0.000 2.119 290 A HA -0.079 4.282 4.320 0.068 0.000 0.217 290 A C 1.582 179.160 177.584 -0.010 0.000 1.153 290 A CA 1.337 53.376 52.037 0.003 0.000 0.692 290 A CB -0.470 18.479 19.000 -0.085 0.000 0.799 290 A HN 0.535 nan 8.150 nan 0.000 0.458 291 D N -1.663 118.717 120.400 -0.034 0.000 2.367 291 D HA 0.231 4.912 4.640 0.068 0.000 0.207 291 D C 1.317 177.583 176.300 -0.057 0.000 1.034 291 D CA 1.127 55.100 54.000 -0.044 0.000 0.861 291 D CB 0.591 41.359 40.800 -0.053 0.000 0.943 291 D HN 0.561 nan 8.370 nan 0.000 0.515 292 G N 0.806 109.584 108.800 -0.036 0.000 2.205 292 G HA2 -0.181 3.819 3.960 0.068 0.000 0.180 292 G HA3 -0.181 3.819 3.960 0.068 0.000 0.180 292 G C 0.102 174.934 174.900 -0.114 0.000 1.004 292 G CA -0.543 44.517 45.100 -0.066 0.000 0.670 292 G HN 0.126 nan 8.290 nan 0.000 0.496 293 I N 3.330 123.833 120.570 -0.113 0.000 2.421 293 I HA 0.275 4.485 4.170 0.068 0.000 0.291 293 I C -1.741 174.359 176.117 -0.028 0.000 1.089 293 I CA -3.259 57.921 61.300 -0.200 0.000 1.354 293 I CB 0.092 37.982 38.000 -0.183 0.000 1.413 293 I HN -0.026 nan 8.210 nan 0.000 0.513 294 P HA 0.076 nan 4.420 nan 0.000 0.267 294 P C 0.752 178.094 177.300 0.070 0.000 1.209 294 P CA -0.168 62.963 63.100 0.052 0.000 0.763 294 P CB 0.774 32.517 31.700 0.071 0.000 0.816 295 R N 3.602 124.128 120.500 0.044 0.000 2.148 295 R HA -0.125 4.256 4.340 0.068 0.000 0.227 295 R C 1.054 177.350 176.300 -0.008 0.000 1.103 295 R CA 1.273 57.392 56.100 0.031 0.000 0.983 295 R CB -0.250 29.971 30.300 -0.132 0.000 0.874 295 R HN 0.376 nan 8.270 nan 0.000 0.451 296 N N 0.311 118.997 118.700 -0.023 0.000 2.573 296 N HA -0.077 4.704 4.740 0.068 0.000 0.187 296 N C 0.756 176.218 175.510 -0.080 0.000 1.107 296 N CA 1.035 54.060 53.050 -0.041 0.000 0.918 296 N CB 0.156 38.629 38.487 -0.023 0.000 0.966 296 N HN 0.253 nan 8.380 nan 0.000 0.448 297 A N -0.562 122.236 122.820 -0.037 0.000 2.307 297 A HA 0.204 4.565 4.320 0.068 0.000 0.218 297 A C 0.642 178.159 177.584 -0.112 0.000 1.228 297 A CA -0.286 51.703 52.037 -0.080 0.000 0.857 297 A CB -0.052 19.003 19.000 0.092 0.000 0.897 297 A HN 0.056 nan 8.150 nan 0.000 0.495 298 S N 0.011 115.669 115.700 -0.070 0.000 2.575 298 S HA 0.358 4.869 4.470 0.068 0.000 0.295 298 S C 1.539 176.101 174.600 -0.064 0.000 1.267 298 S CA 0.982 59.151 58.200 -0.051 0.000 1.074 298 S CB 0.290 63.484 63.200 -0.009 0.000 0.829 298 S HN 1.536 nan 8.310 nan 0.000 0.497 299 G N 3.532 112.299 108.800 -0.056 0.000 2.234 299 G HA2 -0.294 3.707 3.960 0.068 0.000 0.260 299 G HA3 -0.294 3.707 3.960 0.068 0.000 0.260 299 G C 0.866 175.711 174.900 -0.091 0.000 0.987 299 G CA 0.618 45.696 45.100 -0.037 0.000 0.625 299 G HN 0.630 nan 8.290 nan 0.000 0.532 300 R N 0.151 120.547 120.500 -0.172 0.000 2.276 300 R HA 0.291 4.671 4.340 0.068 0.000 0.195 300 R C 1.720 177.771 176.300 -0.416 0.000 0.908 300 R CA 0.326 56.282 56.100 -0.240 0.000 1.083 300 R CB 0.104 30.257 30.300 -0.245 0.000 1.182 300 R HN 0.433 nan 8.270 nan 0.000 0.608 301 G N 4.753 113.205 108.800 -0.580 0.000 2.109 301 G HA2 -0.006 3.995 3.960 0.068 0.000 0.249 301 G HA3 -0.006 3.995 3.960 0.068 0.000 0.249 301 G C -2.371 171.982 174.900 -0.912 0.000 1.126 301 G CA -0.449 43.886 45.100 -1.275 0.000 0.923 301 G HN 0.030 nan 8.290 nan 0.000 0.439 302 P HA 0.434 nan 4.420 nan 0.000 0.284 302 P C -0.602 176.705 177.300 0.013 0.000 1.253 302 P CA -0.474 62.394 63.100 -0.386 0.000 0.800 302 P CB 1.907 33.389 31.700 -0.363 0.000 0.961 303 V N 3.520 123.506 119.914 0.120 0.000 2.808 303 V HA 0.264 4.425 4.120 0.068 0.000 0.308 303 V C -0.314 175.851 176.094 0.118 0.000 1.099 303 V CA -0.831 61.606 62.300 0.229 0.000 0.920 303 V CB 2.209 34.226 31.823 0.324 0.000 1.014 303 V HN 0.369 nan 8.190 nan 0.000 0.425 304 L N 5.477 126.760 121.223 0.100 0.000 2.259 304 L HA 0.740 5.120 4.340 0.068 0.000 0.288 304 L C -0.691 176.199 176.870 0.034 0.000 1.051 304 L CA 0.305 55.176 54.840 0.053 0.000 0.824 304 L CB 0.942 43.027 42.059 0.043 0.000 1.206 304 L HN 0.523 nan 8.230 nan 0.000 0.429 305 V N 4.655 124.582 119.914 0.021 0.000 2.623 305 V HA 0.690 4.851 4.120 0.068 0.000 0.304 305 V C 0.502 176.594 176.094 -0.004 0.000 1.054 305 V CA -0.571 61.731 62.300 0.003 0.000 0.882 305 V CB 1.303 33.123 31.823 -0.005 0.000 1.002 305 V HN 0.931 nan 8.190 nan 0.000 0.424 306 A N 3.412 126.225 122.820 -0.011 0.000 2.667 306 A HA 0.132 4.493 4.320 0.068 0.000 0.298 306 A C 1.563 179.142 177.584 -0.009 0.000 1.483 306 A CA 1.226 53.254 52.037 -0.016 0.000 0.738 306 A CB -1.491 17.493 19.000 -0.027 0.000 1.067 306 A HN 2.825 nan 8.150 nan 0.000 0.451 307 G N -1.329 107.469 108.800 -0.004 0.000 2.321 307 G HA2 -0.254 3.746 3.960 0.068 0.000 0.287 307 G HA3 -0.254 3.746 3.960 0.068 0.000 0.287 307 G C 0.022 174.924 174.900 0.002 0.000 1.018 307 G CA 1.436 46.535 45.100 -0.000 0.000 0.855 307 G HN 1.400 nan 8.290 nan 0.000 0.507 308 K N -0.801 119.602 120.400 0.005 0.000 2.557 308 K HA 0.364 4.725 4.320 0.068 0.000 0.261 308 K C -0.253 176.354 176.600 0.011 0.000 0.932 308 K CA -1.135 55.156 56.287 0.007 0.000 0.829 308 K CB 1.514 34.017 32.500 0.005 0.000 1.358 308 K HN -0.002 nan 8.250 nan 0.000 0.430 309 I N 3.901 124.477 120.570 0.009 0.000 2.471 309 I HA 0.171 4.382 4.170 0.068 0.000 0.286 309 I C 0.371 176.492 176.117 0.006 0.000 1.079 309 I CA -0.016 61.289 61.300 0.009 0.000 1.398 309 I CB 0.198 38.195 38.000 -0.005 0.000 1.403 309 I HN 0.376 nan 8.210 nan 0.000 0.530 310 R N 5.558 126.068 120.500 0.017 0.000 2.832 310 R HA 0.642 5.023 4.340 0.068 0.000 0.271 310 R C -0.501 175.802 176.300 0.006 0.000 0.996 310 R CA -1.247 54.863 56.100 0.016 0.000 0.977 310 R CB 1.366 31.684 30.300 0.030 0.000 1.168 310 R HN 0.361 nan 8.270 nan 0.000 0.482 311 R N 0.356 120.847 120.500 -0.015 0.000 2.604 311 R HA 0.461 4.842 4.340 0.068 0.000 0.287 311 R C -0.575 175.715 176.300 -0.016 0.000 0.970 311 R CA -0.799 55.269 56.100 -0.054 0.000 0.946 311 R CB 1.518 31.775 30.300 -0.071 0.000 1.127 311 R HN 0.849 nan 8.270 nan 0.000 0.473 312 A N 2.004 124.811 122.820 -0.022 0.000 2.545 312 A HA 0.368 4.729 4.320 0.068 0.000 0.253 312 A C -0.016 177.544 177.584 -0.039 0.000 1.074 312 A CA 0.331 52.404 52.037 0.060 0.000 0.760 312 A CB -0.328 18.578 19.000 -0.156 0.000 1.005 312 A HN 0.702 nan 8.150 nan 0.000 0.506 313 A N 3.800 126.567 122.820 -0.089 0.000 2.415 313 A HA 0.608 4.969 4.320 0.068 0.000 0.309 313 A C 1.271 178.755 177.584 -0.166 0.000 1.356 313 A CA 0.646 52.412 52.037 -0.451 0.000 0.998 313 A CB -1.022 17.514 19.000 -0.774 0.000 1.145 313 A HN 2.867 nan 8.150 nan 0.000 0.545 314 G N 1.807 110.612 108.800 0.008 0.000 2.593 314 G HA2 -0.151 3.850 3.960 0.068 0.000 0.237 314 G HA3 -0.151 3.850 3.960 0.068 0.000 0.237 314 G C -0.021 174.975 174.900 0.159 0.000 1.312 314 G CA -0.089 45.129 45.100 0.197 0.000 0.896 314 G HN 1.000 nan 8.290 nan 0.000 0.574 315 R N -0.496 120.139 120.500 0.224 0.000 2.537 315 R HA 0.528 4.909 4.340 0.068 0.000 0.280 315 R C 0.604 177.032 176.300 0.214 0.000 1.058 315 R CA 0.042 56.272 56.100 0.216 0.000 1.057 315 R CB 0.138 30.633 30.300 0.325 0.000 0.973 315 R HN 0.459 nan 8.270 nan 0.000 0.438 316 I N 3.008 123.695 120.570 0.195 0.000 2.365 316 I HA 0.280 4.490 4.170 0.068 0.000 0.291 316 I C 0.584 176.910 176.117 0.348 0.000 1.004 316 I CA -0.142 61.289 61.300 0.219 0.000 1.311 316 I CB 1.569 39.621 38.000 0.087 0.000 1.401 316 I HN 0.677 nan 8.210 nan 0.000 0.491 317 A N 5.910 128.902 122.820 0.286 0.000 2.274 317 A HA 0.405 4.765 4.320 0.068 0.000 0.297 317 A C 1.103 178.539 177.584 -0.246 0.000 1.191 317 A CA -0.591 51.599 52.037 0.254 0.000 0.889 317 A CB 0.598 19.735 19.000 0.228 0.000 1.294 317 A HN 0.873 nan 8.150 nan 0.000 0.506 318 M N -0.725 118.556 119.600 -0.532 0.000 2.108 318 M HA -0.173 4.347 4.480 0.068 0.000 0.261 318 M C 0.184 176.168 176.300 -0.526 0.000 1.066 318 M CA 2.663 57.315 55.300 -1.080 0.000 1.107 318 M CB -0.233 32.072 32.600 -0.492 0.000 1.356 318 M HN 0.783 nan 8.290 nan 0.000 0.406 319 D N -0.918 119.348 120.400 -0.224 0.000 2.582 319 D HA 0.128 4.809 4.640 0.068 0.000 0.246 319 D C -0.412 175.866 176.300 -0.036 0.000 1.334 319 D CA -0.381 53.552 54.000 -0.112 0.000 0.805 319 D CB -0.012 40.740 40.800 -0.081 0.000 1.087 319 D HN 0.595 nan 8.370 nan 0.000 0.499 320 Q N -0.492 119.317 119.800 0.016 0.000 2.829 320 Q HA 0.498 4.878 4.340 0.068 0.000 0.296 320 Q C -1.662 174.457 176.000 0.198 0.000 0.893 320 Q CA -1.220 54.614 55.803 0.052 0.000 0.772 320 Q CB 1.256 29.974 28.738 -0.033 0.000 1.489 320 Q HN 0.103 nan 8.270 nan 0.000 0.420 321 F N -1.399 118.543 119.950 -0.013 0.000 2.693 321 F HA 0.777 5.345 4.527 0.068 0.000 0.309 321 F C -1.647 174.146 175.800 -0.012 0.000 1.129 321 F CA -0.997 57.004 58.000 0.003 0.000 0.948 321 F CB 1.232 40.260 39.000 0.047 0.000 1.315 321 F HN 0.574 nan 8.300 nan 0.000 0.447 322 V N 1.836 121.785 119.914 0.057 0.000 2.850 322 V HA 0.923 5.084 4.120 0.068 0.000 0.315 322 V C -1.655 174.431 176.094 -0.014 0.000 1.064 322 V CA -0.696 61.557 62.300 -0.080 0.000 0.979 322 V CB 1.744 33.542 31.823 -0.042 0.000 1.039 322 V HN 0.938 nan 8.190 nan 0.000 0.452 323 V N 3.212 123.077 119.914 -0.082 0.000 2.735 323 V HA 0.467 4.628 4.120 0.068 0.000 0.310 323 V C -0.940 175.121 176.094 -0.055 0.000 1.061 323 V CA -0.542 61.732 62.300 -0.044 0.000 0.913 323 V CB 1.931 33.744 31.823 -0.017 0.000 1.005 323 V HN 1.076 nan 8.190 nan 0.000 0.428 324 D N 3.869 124.232 120.400 -0.061 0.000 2.347 324 D HA 0.278 4.958 4.640 0.068 0.000 0.235 324 D C 0.670 176.992 176.300 0.036 0.000 1.149 324 D CA -0.086 53.916 54.000 0.003 0.000 0.850 324 D CB 1.500 42.322 40.800 0.035 0.000 1.061 324 D HN 0.448 nan 8.370 nan 0.000 0.487 325 L N 3.322 124.580 121.223 0.058 0.000 2.591 325 L HA 0.157 4.538 4.340 0.068 0.000 0.228 325 L C 1.891 178.813 176.870 0.086 0.000 1.133 325 L CA 0.230 55.103 54.840 0.055 0.000 0.880 325 L CB -0.490 41.593 42.059 0.039 0.000 1.033 325 L HN 0.657 nan 8.230 nan 0.000 0.450 326 G N 1.196 110.064 108.800 0.112 0.000 2.634 326 G HA2 -0.463 3.537 3.960 0.068 0.000 0.318 326 G HA3 -0.463 3.537 3.960 0.068 0.000 0.318 326 G C 0.784 175.795 174.900 0.186 0.000 1.207 326 G CA 0.993 46.163 45.100 0.118 0.000 0.987 326 G HN 0.345 nan 8.290 nan 0.000 0.547 327 E N 0.831 121.110 120.200 0.132 0.000 2.190 327 E HA 0.152 4.543 4.350 0.068 0.000 0.191 327 E C 0.937 177.567 176.600 0.051 0.000 0.978 327 E CA 0.421 56.906 56.400 0.142 0.000 0.839 327 E CB 0.010 29.755 29.700 0.075 0.000 0.787 327 E HN 0.539 nan 8.360 nan 0.000 0.473 328 D N 0.474 120.877 120.400 0.005 0.000 2.406 328 D HA -0.052 4.628 4.640 0.068 0.000 0.234 328 D C -0.281 175.900 176.300 -0.198 0.000 1.196 328 D CA 0.638 54.599 54.000 -0.065 0.000 0.881 328 D CB 0.752 41.532 40.800 -0.033 0.000 1.205 328 D HN 0.024 nan 8.370 nan 0.000 0.453 329 L N 0.363 121.466 121.223 -0.200 0.000 2.370 329 L HA 0.659 5.039 4.340 0.068 0.000 0.266 329 L C -0.462 176.319 176.870 -0.147 0.000 1.002 329 L CA -0.492 54.182 54.840 -0.276 0.000 0.818 329 L CB 1.447 43.340 42.059 -0.277 0.000 1.325 329 L HN 0.573 nan 8.230 nan 0.000 0.418 330 A N 3.113 125.856 122.820 -0.128 0.000 2.588 330 A HA 0.807 5.168 4.320 0.068 0.000 0.290 330 A C -1.336 176.211 177.584 -0.061 0.000 1.136 330 A CA -0.482 51.510 52.037 -0.074 0.000 0.681 330 A CB 2.103 21.069 19.000 -0.057 0.000 1.282 330 A HN 0.700 nan 8.150 nan 0.000 0.421 331 E N 0.259 120.433 120.200 -0.043 0.000 2.367 331 E HA 0.692 5.082 4.350 0.068 0.000 0.273 331 E C -0.142 176.441 176.600 -0.029 0.000 0.903 331 E CA -0.656 55.724 56.400 -0.033 0.000 0.764 331 E CB 1.996 31.679 29.700 -0.028 0.000 1.252 331 E HN 1.393 nan 8.360 nan 0.000 0.446 332 A N 0.871 123.675 122.820 -0.026 0.000 2.587 332 A HA 0.381 4.741 4.320 0.068 0.000 0.235 332 A C 1.301 178.871 177.584 -0.023 0.000 1.044 332 A CA 1.159 53.180 52.037 -0.027 0.000 0.754 332 A CB -0.897 18.089 19.000 -0.024 0.000 0.968 332 A HN 1.519 nan 8.150 nan 0.000 0.509 333 G N 1.720 110.506 108.800 -0.022 0.000 2.234 333 G HA2 -0.196 3.804 3.960 0.068 0.000 0.235 333 G HA3 -0.196 3.804 3.960 0.068 0.000 0.235 333 G C 0.006 174.900 174.900 -0.010 0.000 0.997 333 G CA 0.343 45.434 45.100 -0.014 0.000 0.623 333 G HN 0.867 nan 8.290 nan 0.000 0.514 334 D N 1.316 121.706 120.400 -0.017 0.000 2.414 334 D HA 0.399 5.079 4.640 0.068 0.000 0.242 334 D C 0.686 176.978 176.300 -0.012 0.000 1.129 334 D CA 0.119 54.110 54.000 -0.015 0.000 0.885 334 D CB 0.910 41.696 40.800 -0.023 0.000 1.198 334 D HN 0.566 nan 8.370 nan 0.000 0.437 335 E N 0.593 120.792 120.200 -0.002 0.000 2.313 335 E HA 0.427 4.818 4.350 0.068 0.000 0.276 335 E C -1.383 175.209 176.600 -0.013 0.000 1.031 335 E CA -0.736 55.665 56.400 0.001 0.000 0.857 335 E CB 0.785 30.496 29.700 0.018 0.000 1.040 335 E HN 0.382 nan 8.360 nan 0.000 0.408 336 A N 4.036 126.842 122.820 -0.024 0.000 2.355 336 A HA 0.483 4.843 4.320 0.068 0.000 0.317 336 A C -1.018 176.553 177.584 -0.022 0.000 1.094 336 A CA -0.756 51.271 52.037 -0.018 0.000 0.764 336 A CB 1.663 20.646 19.000 -0.028 0.000 1.230 336 A HN 0.427 nan 8.150 nan 0.000 0.448 337 V N 4.204 124.120 119.914 0.004 0.000 2.347 337 V HA 0.213 4.374 4.120 0.068 0.000 0.280 337 V C 0.747 176.881 176.094 0.067 0.000 1.021 337 V CA 0.019 62.317 62.300 -0.003 0.000 0.847 337 V CB 0.747 32.570 31.823 0.000 0.000 0.990 337 V HN 0.895 nan 8.190 nan 0.000 0.444 338 I N 5.045 125.642 120.570 0.045 0.000 2.400 338 I HA 0.072 4.282 4.170 0.068 0.000 0.248 338 I C 0.274 176.503 176.117 0.187 0.000 1.109 338 I CA 1.206 62.590 61.300 0.141 0.000 1.425 338 I CB 0.220 38.191 38.000 -0.048 0.000 1.094 338 I HN 0.600 nan 8.210 nan 0.000 0.425 339 L N -2.273 118.964 121.223 0.024 0.000 2.505 339 L HA 0.961 5.342 4.340 0.068 0.000 0.259 339 L C -0.553 176.320 176.870 0.004 0.000 0.952 339 L CA -0.352 54.522 54.840 0.057 0.000 0.840 339 L CB 1.421 43.465 42.059 -0.026 0.000 1.358 339 L HN -0.028 nan 8.230 nan 0.000 0.409 340 G N 0.124 108.946 108.800 0.037 0.000 2.795 340 G HA2 0.265 4.266 3.960 0.068 0.000 0.127 340 G HA3 0.265 4.266 3.960 0.068 0.000 0.127 340 G C -1.770 173.150 174.900 0.034 0.000 1.203 340 G CA -0.163 44.947 45.100 0.016 0.000 1.145 340 G HN 0.679 nan 8.290 nan 0.000 0.580 341 D N 1.008 121.425 120.400 0.027 0.000 2.280 341 D HA 0.572 5.252 4.640 0.068 0.000 0.236 341 D C 1.333 177.651 176.300 0.030 0.000 1.082 341 D CA 0.223 54.240 54.000 0.029 0.000 0.834 341 D CB 1.667 42.481 40.800 0.023 0.000 1.100 341 D HN 0.463 nan 8.370 nan 0.000 0.486 342 A N 3.834 126.673 122.820 0.032 0.000 2.076 342 A HA -0.177 4.184 4.320 0.068 0.000 0.220 342 A C 1.799 179.396 177.584 0.021 0.000 1.160 342 A CA 1.277 53.331 52.037 0.028 0.000 0.653 342 A CB -0.191 18.826 19.000 0.028 0.000 0.801 342 A HN 0.606 nan 8.150 nan 0.000 0.455 343 E N -0.363 119.849 120.200 0.020 0.000 2.274 343 E HA -0.023 4.367 4.350 0.068 0.000 0.194 343 E C 1.804 178.413 176.600 0.015 0.000 0.996 343 E CA 0.697 57.107 56.400 0.016 0.000 0.840 343 E CB -0.042 29.667 29.700 0.015 0.000 0.772 343 E HN 0.556 nan 8.360 nan 0.000 0.491 344 R N -1.426 119.084 120.500 0.016 0.000 2.427 344 R HA 0.195 4.575 4.340 0.068 0.000 0.262 344 R C 0.653 176.962 176.300 0.015 0.000 0.943 344 R CA 0.504 56.613 56.100 0.015 0.000 1.081 344 R CB 0.679 30.988 30.300 0.014 0.000 1.166 344 R HN 0.209 nan 8.270 nan 0.000 0.534 345 G N 1.532 110.342 108.800 0.016 0.000 2.153 345 G HA2 -0.308 3.693 3.960 0.068 0.000 0.252 345 G HA3 -0.308 3.693 3.960 0.068 0.000 0.252 345 G C -0.209 174.703 174.900 0.021 0.000 0.994 345 G CA 0.234 45.344 45.100 0.016 0.000 0.698 345 G HN 0.399 nan 8.290 nan 0.000 0.521 346 E N 0.568 120.784 120.200 0.028 0.000 2.250 346 E HA 0.515 4.905 4.350 0.068 0.000 0.269 346 E C -2.267 174.367 176.600 0.056 0.000 1.018 346 E CA -2.081 54.343 56.400 0.040 0.000 0.873 346 E CB 1.218 30.940 29.700 0.036 0.000 1.134 346 E HN 0.175 nan 8.360 nan 0.000 0.403 347 P HA 0.031 nan 4.420 nan 0.000 0.274 347 P C -0.621 176.769 177.300 0.151 0.000 1.237 347 P CA -0.261 62.906 63.100 0.113 0.000 0.793 347 P CB 0.683 32.489 31.700 0.177 0.000 0.977 348 T N -3.268 111.381 114.554 0.159 0.000 2.910 348 T HA 0.630 5.020 4.350 0.068 0.000 0.287 348 T C 1.162 175.998 174.700 0.228 0.000 1.050 348 T CA -0.259 61.934 62.100 0.155 0.000 1.011 348 T CB 1.051 69.974 68.868 0.093 0.000 1.195 348 T HN 0.214 nan 8.240 nan 0.000 0.540 349 A N 0.144 123.057 122.820 0.154 0.000 1.940 349 A HA -0.050 4.310 4.320 0.068 0.000 0.219 349 A C 2.180 179.868 177.584 0.173 0.000 1.176 349 A CA 2.191 54.319 52.037 0.151 0.000 0.631 349 A CB -1.204 17.851 19.000 0.093 0.000 0.814 349 A HN 0.947 nan 8.150 nan 0.000 0.446 350 E N 0.485 120.761 120.200 0.126 0.000 2.107 350 E HA -0.146 4.244 4.350 0.068 0.000 0.191 350 E C 1.372 178.030 176.600 0.096 0.000 0.982 350 E CA 1.402 57.864 56.400 0.104 0.000 0.809 350 E CB -0.305 29.438 29.700 0.071 0.000 0.756 350 E HN 0.505 nan 8.360 nan 0.000 0.459 351 D N -0.528 119.924 120.400 0.086 0.000 2.123 351 D HA -0.179 4.501 4.640 0.068 0.000 0.196 351 D C 1.472 177.736 176.300 -0.060 0.000 0.992 351 D CA 1.065 55.062 54.000 -0.006 0.000 0.833 351 D CB -0.442 40.339 40.800 -0.031 0.000 0.954 351 D HN 0.358 nan 8.370 nan 0.000 0.455 352 W N 1.220 122.512 121.300 -0.014 0.000 2.518 352 W HA 0.102 4.802 4.660 0.067 0.000 0.273 352 W C 2.506 179.010 176.519 -0.025 0.000 1.247 352 W CA 0.891 58.216 57.345 -0.032 0.000 1.288 352 W CB -0.236 29.204 29.460 -0.034 0.000 1.107 352 W HN -0.073 nan 8.180 nan 0.000 0.586 353 A N -0.017 122.929 122.820 0.210 0.000 1.902 353 A HA -0.234 4.127 4.320 0.068 0.000 0.217 353 A C 2.000 179.643 177.584 0.098 0.000 1.181 353 A CA 1.502 53.629 52.037 0.150 0.000 0.623 353 A CB -0.662 18.422 19.000 0.141 0.000 0.818 353 A HN 0.290 nan 8.150 nan 0.000 0.443 354 Q N -0.347 119.490 119.800 0.062 0.000 2.020 354 Q HA -0.152 4.228 4.340 0.068 0.000 0.202 354 Q C 2.463 178.442 176.000 -0.033 0.000 0.982 354 Q CA 1.567 57.397 55.803 0.044 0.000 0.838 354 Q CB -0.729 28.018 28.738 0.014 0.000 0.899 354 Q HN 0.633 nan 8.270 nan 0.000 0.423 355 A N 1.476 124.216 122.820 -0.134 0.000 1.917 355 A HA -0.105 4.255 4.320 0.068 0.000 0.219 355 A C 2.172 179.559 177.584 -0.330 0.000 1.182 355 A CA 1.984 53.861 52.037 -0.268 0.000 0.633 355 A CB -0.539 18.208 19.000 -0.422 0.000 0.819 355 A HN 0.390 nan 8.150 nan 0.000 0.448 356 A N -2.564 120.163 122.820 -0.155 0.000 2.275 356 A HA 0.338 4.698 4.320 0.068 0.000 0.212 356 A C 0.542 178.084 177.584 -0.069 0.000 1.201 356 A CA 0.407 52.371 52.037 -0.121 0.000 0.843 356 A CB -0.379 18.656 19.000 0.057 0.000 0.873 356 A HN 0.594 nan 8.150 nan 0.000 0.492 357 H N -0.371 118.715 119.070 0.026 0.000 2.756 357 H HA -0.126 4.471 4.556 0.067 0.000 0.315 357 H C 0.409 175.758 175.328 0.034 0.000 1.210 357 H CA 1.268 57.329 56.048 0.022 0.000 1.150 357 H CB -2.050 27.717 29.762 0.008 0.000 1.463 357 H HN 0.548 nan 8.280 nan 0.000 0.427 358 T N -1.458 113.186 114.554 0.151 0.000 2.590 358 T HA 0.741 5.132 4.350 0.068 0.000 0.282 358 T C -0.183 174.593 174.700 0.128 0.000 0.989 358 T CA -0.204 61.968 62.100 0.121 0.000 1.091 358 T CB 1.507 70.438 68.868 0.104 0.000 1.460 358 T HN 0.334 nan 8.240 nan 0.000 0.499 359 I N -0.039 120.616 120.570 0.141 0.000 2.603 359 I HA 0.787 4.997 4.170 0.068 0.000 0.300 359 I C 1.416 177.661 176.117 0.214 0.000 1.017 359 I CA -1.193 60.219 61.300 0.187 0.000 1.098 359 I CB 1.740 39.876 38.000 0.227 0.000 1.279 359 I HN 0.673 nan 8.210 nan 0.000 0.437 360 A N 3.675 126.613 122.820 0.197 0.000 2.042 360 A HA -0.211 4.149 4.320 0.068 0.000 0.222 360 A C 1.878 179.558 177.584 0.160 0.000 1.167 360 A CA 1.709 53.832 52.037 0.143 0.000 0.649 360 A CB -1.144 17.901 19.000 0.074 0.000 0.809 360 A HN 0.894 nan 8.150 nan 0.000 0.457 361 Y N -0.564 119.816 120.300 0.133 0.000 2.097 361 Y HA -0.248 4.342 4.550 0.066 0.000 0.282 361 Y C 2.539 178.490 175.900 0.085 0.000 1.152 361 Y CA 2.044 60.234 58.100 0.150 0.000 1.136 361 Y CB -0.281 38.258 38.460 0.132 0.000 0.975 361 Y HN 0.524 nan 8.280 nan 0.000 0.498 362 E N 0.050 120.391 120.200 0.236 0.000 2.106 362 E HA -0.186 4.204 4.350 0.068 0.000 0.192 362 E C 1.971 178.616 176.600 0.075 0.000 0.984 362 E CA 1.126 57.597 56.400 0.118 0.000 0.806 362 E CB -0.065 29.691 29.700 0.093 0.000 0.750 362 E HN 0.286 nan 8.360 nan 0.000 0.458 363 I N 1.319 121.940 120.570 0.085 0.000 2.099 363 I HA -0.252 3.959 4.170 0.068 0.000 0.239 363 I C 2.755 178.862 176.117 -0.017 0.000 1.066 363 I CA 1.339 62.658 61.300 0.031 0.000 1.324 363 I CB -1.633 36.405 38.000 0.064 0.000 1.037 363 I HN 0.226 nan 8.210 nan 0.000 0.401 364 V N -1.498 118.428 119.914 0.020 0.000 2.427 364 V HA -0.171 3.990 4.120 0.068 0.000 0.248 364 V C 2.346 178.425 176.094 -0.026 0.000 1.051 364 V CA 2.068 64.359 62.300 -0.016 0.000 1.048 364 V CB -1.828 30.052 31.823 0.095 0.000 0.666 364 V HN 0.336 nan 8.190 nan 0.000 0.456 365 T N 0.091 114.661 114.554 0.027 0.000 2.867 365 T HA -0.108 4.282 4.350 0.068 0.000 0.268 365 T C 1.917 176.596 174.700 -0.035 0.000 1.057 365 T CA 1.807 63.901 62.100 -0.010 0.000 1.136 365 T CB -0.328 68.514 68.868 -0.042 0.000 0.874 365 T HN 0.389 nan 8.240 nan 0.000 0.466 366 R N 0.481 120.962 120.500 -0.030 0.000 2.319 366 R HA 0.159 4.540 4.340 0.068 0.000 0.204 366 R C -0.198 176.070 176.300 -0.054 0.000 0.954 366 R CA -0.055 56.025 56.100 -0.034 0.000 1.066 366 R CB -0.239 30.050 30.300 -0.018 0.000 0.991 366 R HN 0.220 nan 8.270 nan 0.000 0.486 367 I N 1.542 122.063 120.570 -0.081 0.000 2.581 367 I HA 0.060 4.270 4.170 0.068 0.000 0.285 367 I C 1.228 177.301 176.117 -0.073 0.000 1.129 367 I CA -0.010 61.228 61.300 -0.103 0.000 1.397 367 I CB -0.082 37.828 38.000 -0.150 0.000 1.399 367 I HN 0.177 nan 8.210 nan 0.000 0.537 368 G N 4.660 113.425 108.800 -0.058 0.000 2.562 368 G HA2 0.187 4.187 3.960 0.068 0.000 0.233 368 G HA3 0.187 4.187 3.960 0.068 0.000 0.233 368 G C 1.088 175.967 174.900 -0.034 0.000 1.266 368 G CA -0.003 45.075 45.100 -0.037 0.000 0.852 368 G HN 0.879 nan 8.290 nan 0.000 0.581 369 G N 0.337 109.125 108.800 -0.021 0.000 2.534 369 G HA2 -0.143 3.858 3.960 0.068 0.000 0.217 369 G HA3 -0.143 3.858 3.960 0.068 0.000 0.217 369 G C 1.675 176.568 174.900 -0.011 0.000 1.128 369 G CA 0.687 45.779 45.100 -0.014 0.000 0.784 369 G HN 0.631 nan 8.290 nan 0.000 0.542 370 R N -0.032 120.459 120.500 -0.015 0.000 2.148 370 R HA 0.017 4.397 4.340 0.068 0.000 0.227 370 R C 0.475 176.767 176.300 -0.013 0.000 1.103 370 R CA 0.356 56.449 56.100 -0.013 0.000 0.983 370 R CB -0.198 30.091 30.300 -0.017 0.000 0.874 370 R HN 0.149 nan 8.270 nan 0.000 0.451 371 V N 4.371 124.272 119.914 -0.022 0.000 2.427 371 V HA 0.220 4.380 4.120 0.068 0.000 0.268 371 V C -1.993 174.094 176.094 -0.011 0.000 1.046 371 V CA -1.723 60.564 62.300 -0.021 0.000 0.970 371 V CB 0.807 32.599 31.823 -0.052 0.000 1.001 371 V HN 0.249 nan 8.190 nan 0.000 0.476 372 P HA 0.334 nan 4.420 nan 0.000 0.271 372 P C -0.651 176.648 177.300 -0.002 0.000 1.218 372 P CA -0.565 62.542 63.100 0.013 0.000 0.780 372 P CB 1.042 32.751 31.700 0.014 0.000 0.901 373 R N 1.133 121.607 120.500 -0.044 0.000 2.460 373 R HA 0.585 4.965 4.340 0.068 0.000 0.303 373 R C -0.724 175.425 176.300 -0.251 0.000 0.968 373 R CA -0.791 55.196 56.100 -0.188 0.000 0.889 373 R CB 1.416 31.563 30.300 -0.255 0.000 1.123 373 R HN 0.228 nan 8.270 nan 0.000 0.455 374 V N 4.251 123.969 119.914 -0.327 0.000 2.540 374 V HA 0.413 4.574 4.120 0.068 0.000 0.302 374 V C -1.093 174.733 176.094 -0.447 0.000 1.035 374 V CA -0.807 61.348 62.300 -0.242 0.000 0.873 374 V CB 1.373 33.154 31.823 -0.071 0.000 0.992 374 V HN 0.623 nan 8.190 nan 0.000 0.428 375 Y N 5.183 125.406 120.300 -0.128 0.000 2.360 375 Y HA 0.783 5.373 4.550 0.067 0.000 0.337 375 Y C 0.010 175.685 175.900 -0.376 0.000 1.039 375 Y CA -0.696 57.245 58.100 -0.266 0.000 1.109 375 Y CB 1.578 39.792 38.460 -0.410 0.000 1.201 375 Y HN 0.461 nan 8.280 nan 0.000 0.458 376 L N 1.615 122.779 121.223 -0.099 0.000 2.350 376 L HA 0.977 5.357 4.340 0.068 0.000 0.260 376 L C 0.470 177.344 176.870 0.007 0.000 1.015 376 L CA -0.941 53.858 54.840 -0.067 0.000 0.821 376 L CB 1.730 43.781 42.059 -0.013 0.000 1.370 376 L HN 0.817 nan 8.230 nan 0.000 0.416 377 G N 0.039 108.873 108.800 0.056 0.000 2.698 377 G HA2 0.322 4.322 3.960 0.068 0.000 0.233 377 G HA3 0.322 4.322 3.960 0.068 0.000 0.233 377 G C 0.291 175.299 174.900 0.179 0.000 1.352 377 G CA -0.161 44.999 45.100 0.100 0.000 0.879 377 G HN 1.894 nan 8.290 nan 0.000 0.567 378 G N -1.808 107.095 108.800 0.172 0.000 2.641 378 G HA2 0.099 4.100 3.960 0.068 0.000 0.254 378 G HA3 0.099 4.100 3.960 0.068 0.000 0.254 378 G C 0.208 175.148 174.900 0.066 0.000 1.315 378 G CA 0.298 45.554 45.100 0.260 0.000 0.907 378 G HN 1.601 nan 8.290 nan 0.000 0.572 379 L N 0.286 121.318 121.223 -0.319 0.000 2.343 379 L HA 0.391 4.771 4.340 0.068 0.000 0.275 379 L C 1.798 178.385 176.870 -0.473 0.000 1.056 379 L CA -0.250 54.316 54.840 -0.457 0.000 0.804 379 L CB 1.566 43.230 42.059 -0.658 0.000 1.203 379 L HN 0.978 nan 8.230 nan 0.000 0.440 380 E N 0.777 120.784 120.200 -0.322 0.000 2.147 380 E HA -0.306 4.085 4.350 0.068 0.000 0.199 380 E C 1.587 177.762 176.600 -0.709 0.000 1.005 380 E CA 2.201 58.317 56.400 -0.473 0.000 0.810 380 E CB 0.067 29.639 29.700 -0.212 0.000 0.736 380 E HN 0.799 nan 8.360 nan 0.000 0.460 381 H N -2.405 116.357 119.070 -0.514 0.000 2.555 381 H HA 0.035 4.631 4.556 0.067 0.000 0.269 381 H C 1.612 176.751 175.328 -0.315 0.000 0.988 381 H CA 0.821 56.619 56.048 -0.417 0.000 1.178 381 H CB -0.045 29.630 29.762 -0.145 0.000 1.373 381 H HN 0.176 nan 8.280 nan 0.000 0.588 382 H N 1.180 119.729 119.070 -0.869 0.000 2.353 382 H HA -0.051 4.546 4.556 0.068 0.000 0.300 382 H C 0.095 175.188 175.328 -0.392 0.000 1.090 382 H CA 1.359 57.052 56.048 -0.591 0.000 1.327 382 H CB -0.495 29.085 29.762 -0.303 0.000 1.383 382 H HN 0.833 nan 8.280 nan 0.000 0.508 383 H N -0.232 118.654 119.070 -0.306 0.000 2.705 383 H HA 0.522 5.118 4.556 0.067 0.000 0.291 383 H C -0.231 174.914 175.328 -0.304 0.000 1.085 383 H CA -0.429 55.401 56.048 -0.364 0.000 1.357 383 H CB 0.651 30.268 29.762 -0.241 0.000 1.419 383 H HN 0.153 nan 8.280 nan 0.000 0.462 384 H N 0.000 119.045 119.070 -0.042 0.000 2.539 384 H HA 0.000 4.596 4.556 0.067 0.000 0.296 384 H CA 0.000 56.043 56.048 -0.009 0.000 1.023 384 H CB 0.000 29.753 29.762 -0.016 0.000 1.292 384 H HN 0.000 nan 8.280 nan 0.000 0.496