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 2bz9_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAVALPRVSG GHDEHGHLEE FRTDPIGLMQ RVRDELGDVG TFQLAGKQVV DATA SEQUENCE LLSGSHANEF FFRAGDDDLD QAKAYPFMTP IFGXXXXXXX XXXXXXXMLH DATA SEQUENCE NAALRGEQMK GHAATIEDQV RRMIADWGEA GEIDLLDFFA ELTIYTSSAC DATA SEQUENCE LIGKKFRDQL DGRFAKLYHE LERGTDPLAY VDPYLPIESF RRRDEARNGL DATA SEQUENCE VALVADIMNG RIANPXXXXS DRDMLDVLIA VKAETGTPRF SADEITGMFI DATA SEQUENCE SMMFAGHHTS SGTASWTLIE LMRHRDAYAA VIDELDELYG DGRSVSFHAL DATA SEQUENCE RQIPQLENVL KETLRLHPPL IILMRVAKGE FEVQGHRIHE GDLVAASPAI DATA SEQUENCE SNRIPEDFPD PHDFVPARYE QPRQEDLLNR WTWIPFGAGR HRCVGAAFAI DATA SEQUENCE MQIKAIFSVL LREYEFEMAQ PPESYRNDHS KMVVQLAQPA AVRYRRRT 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.593 174.600 -0.012 0.000 1.055 2 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 2 S CB 0.000 63.196 63.200 -0.006 0.000 0.593 3 A N 2.029 124.845 122.820 -0.007 0.000 2.648 3 A HA 0.537 4.856 4.320 -0.001 0.000 0.269 3 A C 0.880 178.465 177.584 0.002 0.000 1.392 3 A CA 0.318 52.351 52.037 -0.007 0.000 1.019 3 A CB -1.320 17.678 19.000 -0.004 0.000 1.009 3 A HN 1.946 nan 8.150 nan 0.000 0.565 4 V N -2.491 117.427 119.914 0.007 0.000 2.715 4 V HA 0.709 4.829 4.120 -0.001 0.000 0.299 4 V C 0.214 176.326 176.094 0.031 0.000 1.054 4 V CA -0.171 62.143 62.300 0.024 0.000 1.077 4 V CB 0.549 32.392 31.823 0.034 0.000 0.972 4 V HN 0.847 nan 8.190 nan 0.000 0.484 5 A N 4.469 127.314 122.820 0.041 0.000 2.566 5 A HA 0.808 5.127 4.320 -0.001 0.000 0.292 5 A C -0.594 177.024 177.584 0.056 0.000 1.112 5 A CA -1.103 50.962 52.037 0.046 0.000 0.707 5 A CB 1.331 20.347 19.000 0.027 0.000 1.302 5 A HN 0.979 nan 8.150 nan 0.000 0.409 6 L N 1.952 123.204 121.223 0.048 0.000 2.452 6 L HA 0.294 4.634 4.340 -0.001 0.000 0.267 6 L C -1.632 175.228 176.870 -0.016 0.000 1.188 6 L CA -1.440 53.410 54.840 0.017 0.000 0.821 6 L CB 0.351 42.398 42.059 -0.019 0.000 1.102 6 L HN 0.530 nan 8.230 nan 0.000 0.470 7 P HA 0.035 nan 4.420 nan 0.000 0.265 7 P C -1.029 176.251 177.300 -0.034 0.000 1.193 7 P CA -0.023 63.052 63.100 -0.041 0.000 0.765 7 P CB 0.689 32.344 31.700 -0.075 0.000 0.823 8 R N 2.523 123.028 120.500 0.008 0.000 2.514 8 R HA 0.440 4.779 4.340 -0.001 0.000 0.301 8 R C -0.582 175.750 176.300 0.053 0.000 0.962 8 R CA -0.969 55.151 56.100 0.032 0.000 0.882 8 R CB 1.631 31.975 30.300 0.075 0.000 1.143 8 R HN 0.316 nan 8.270 nan 0.000 0.452 9 V N 3.607 123.540 119.914 0.032 0.000 2.963 9 V HA 0.086 4.205 4.120 -0.001 0.000 0.306 9 V C 0.133 176.329 176.094 0.169 0.000 1.077 9 V CA 0.216 62.542 62.300 0.043 0.000 1.124 9 V CB 1.417 33.214 31.823 -0.044 0.000 0.987 9 V HN 1.066 nan 8.190 nan 0.000 0.487 10 S N 4.660 120.460 115.700 0.166 0.000 2.589 10 S HA 0.666 5.135 4.470 -0.001 0.000 0.265 10 S C 0.568 175.377 174.600 0.349 0.000 1.342 10 S CA 0.106 58.429 58.200 0.205 0.000 1.005 10 S CB 0.912 64.183 63.200 0.119 0.000 0.909 10 S HN 2.470 nan 8.310 nan 0.000 0.555 11 G N 0.750 109.705 108.800 0.259 0.000 2.475 11 G HA2 0.338 4.297 3.960 -0.001 0.000 0.223 11 G HA3 0.338 4.297 3.960 -0.001 0.000 0.223 11 G C 0.750 175.606 174.900 -0.073 0.000 1.201 11 G CA 0.425 45.696 45.100 0.285 0.000 0.962 11 G HN 2.450 nan 8.290 nan 0.000 0.586 12 G N -0.769 107.626 108.800 -0.676 0.000 2.155 12 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.257 12 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.257 12 G C 1.087 175.733 174.900 -0.424 0.000 0.983 12 G CA 1.824 46.292 45.100 -1.053 0.000 0.676 12 G HN 2.361 nan 8.290 nan 0.000 0.528 13 H N 0.242 119.197 119.070 -0.193 0.000 2.387 13 H HA -0.014 4.541 4.556 -0.001 0.000 0.299 13 H C 0.972 176.255 175.328 -0.075 0.000 1.099 13 H CA 1.097 57.086 56.048 -0.098 0.000 1.315 13 H CB -0.751 28.975 29.762 -0.061 0.000 1.380 13 H HN 0.477 nan 8.280 nan 0.000 0.513 14 D N 1.625 121.821 120.400 -0.341 0.000 2.319 14 D HA -0.113 4.526 4.640 -0.001 0.000 0.235 14 D C 1.458 177.685 176.300 -0.122 0.000 1.304 14 D CA 0.252 54.149 54.000 -0.172 0.000 0.894 14 D CB 1.019 41.703 40.800 -0.194 0.000 1.183 14 D HN 0.425 nan 8.370 nan 0.000 0.472 15 E N -0.182 119.943 120.200 -0.124 0.000 2.086 15 E HA -0.261 4.089 4.350 -0.001 0.000 0.200 15 E C 0.398 176.802 176.600 -0.326 0.000 1.012 15 E CA 1.462 57.718 56.400 -0.239 0.000 0.812 15 E CB -0.047 29.459 29.700 -0.323 0.000 0.743 15 E HN 0.448 nan 8.360 nan 0.000 0.453 16 H N -0.884 118.177 119.070 -0.014 0.000 2.524 16 H HA 0.318 4.873 4.556 -0.001 0.000 0.297 16 H C 0.645 175.969 175.328 -0.006 0.000 1.115 16 H CA -0.148 55.904 56.048 0.007 0.000 1.027 16 H CB 0.671 30.455 29.762 0.036 0.000 1.591 16 H HN 0.467 nan 8.280 nan 0.000 0.543 17 G N 0.827 109.625 108.800 -0.004 0.000 2.596 17 G HA2 -0.442 3.518 3.960 -0.001 0.000 0.304 17 G HA3 -0.442 3.518 3.960 -0.001 0.000 0.304 17 G C 0.587 175.387 174.900 -0.168 0.000 1.189 17 G CA 0.670 45.713 45.100 -0.094 0.000 0.986 17 G HN 0.615 nan 8.290 nan 0.000 0.548 18 H N 0.771 119.881 119.070 0.066 0.000 2.547 18 H HA 0.439 4.994 4.556 -0.001 0.000 0.266 18 H C 2.338 177.734 175.328 0.114 0.000 0.988 18 H CA 0.546 56.638 56.048 0.074 0.000 1.147 18 H CB 0.160 30.021 29.762 0.165 0.000 1.365 18 H HN 0.328 nan 8.280 nan 0.000 0.589 19 L N 0.429 121.776 121.223 0.207 0.000 1.994 19 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 19 L C 1.751 178.729 176.870 0.180 0.000 1.071 19 L CA 1.530 56.493 54.840 0.205 0.000 0.745 19 L CB 0.070 42.230 42.059 0.169 0.000 0.892 19 L HN 0.261 nan 8.230 nan 0.000 0.431 20 E N -0.029 120.237 120.200 0.110 0.000 2.097 20 E HA -0.302 4.047 4.350 -0.001 0.000 0.196 20 E C 1.933 178.566 176.600 0.055 0.000 1.000 20 E CA 1.559 58.000 56.400 0.068 0.000 0.804 20 E CB -0.207 29.502 29.700 0.015 0.000 0.740 20 E HN 0.497 nan 8.360 nan 0.000 0.454 21 E N -0.694 119.535 120.200 0.049 0.000 2.072 21 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 21 E C 1.700 178.318 176.600 0.030 0.000 0.985 21 E CA 0.562 56.985 56.400 0.037 0.000 0.801 21 E CB -0.177 29.555 29.700 0.053 0.000 0.750 21 E HN 0.277 nan 8.360 nan 0.000 0.452 22 F N 1.395 121.318 119.950 -0.046 0.000 2.333 22 F HA -0.086 4.441 4.527 -0.001 0.000 0.300 22 F C 1.985 177.766 175.800 -0.032 0.000 1.083 22 F CA 1.191 59.141 58.000 -0.082 0.000 1.395 22 F CB 0.189 39.151 39.000 -0.062 0.000 1.056 22 F HN -0.102 nan 8.300 nan 0.000 0.529 23 R N -1.062 119.478 120.500 0.067 0.000 2.276 23 R HA 0.026 4.366 4.340 -0.001 0.000 0.196 23 R C 1.764 178.051 176.300 -0.022 0.000 0.961 23 R CA 1.339 57.457 56.100 0.030 0.000 1.024 23 R CB -0.177 30.167 30.300 0.073 0.000 0.940 23 R HN 0.398 nan 8.270 nan 0.000 0.480 24 T N -2.983 111.545 114.554 -0.043 0.000 3.114 24 T HA 0.023 4.373 4.350 -0.001 0.000 0.240 24 T C 0.495 175.164 174.700 -0.052 0.000 0.983 24 T CA 0.193 62.279 62.100 -0.024 0.000 1.151 24 T CB 0.233 69.098 68.868 -0.004 0.000 0.974 24 T HN -0.058 nan 8.240 nan 0.000 0.442 25 D N 2.900 123.228 120.400 -0.119 0.000 2.552 25 D HA 0.352 4.992 4.640 -0.001 0.000 0.285 25 D C -1.753 174.362 176.300 -0.310 0.000 1.206 25 D CA -2.253 51.645 54.000 -0.171 0.000 0.826 25 D CB 1.382 42.131 40.800 -0.085 0.000 1.179 25 D HN 0.052 nan 8.370 nan 0.000 0.508 26 P HA -0.136 nan 4.420 nan 0.000 0.216 26 P C 1.686 178.689 177.300 -0.495 0.000 1.150 26 P CA 0.772 63.391 63.100 -0.801 0.000 0.837 26 P CB 0.607 31.454 31.700 -1.423 0.000 0.786 27 I N -0.270 120.022 120.570 -0.463 0.000 2.315 27 I HA -0.110 4.059 4.170 -0.001 0.000 0.248 27 I C 2.715 178.724 176.117 -0.180 0.000 1.117 27 I CA 1.583 62.711 61.300 -0.287 0.000 1.404 27 I CB -1.178 36.656 38.000 -0.277 0.000 1.071 27 I HN 0.006 nan 8.210 nan 0.000 0.419 28 G N 1.244 109.942 108.800 -0.170 0.000 2.402 28 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.216 28 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.216 28 G C 1.657 176.500 174.900 -0.095 0.000 1.162 28 G CA 0.432 45.473 45.100 -0.099 0.000 0.777 28 G HN 0.266 nan 8.290 nan 0.000 0.539 29 L N 0.482 121.622 121.223 -0.139 0.000 2.046 29 L HA 0.074 4.414 4.340 -0.001 0.000 0.208 29 L C 2.746 179.510 176.870 -0.177 0.000 1.077 29 L CA 1.755 56.507 54.840 -0.148 0.000 0.747 29 L CB -0.404 41.533 42.059 -0.203 0.000 0.896 29 L HN 0.226 nan 8.230 nan 0.000 0.432 30 M N -1.258 118.231 119.600 -0.184 0.000 2.229 30 M HA -0.174 4.306 4.480 -0.001 0.000 0.264 30 M C 2.253 178.521 176.300 -0.053 0.000 1.063 30 M CA 1.583 56.811 55.300 -0.119 0.000 1.114 30 M CB -0.336 32.219 32.600 -0.075 0.000 1.387 30 M HN 0.355 nan 8.290 nan 0.000 0.420 31 Q N 0.819 120.589 119.800 -0.049 0.000 2.123 31 Q HA -0.099 4.241 4.340 -0.001 0.000 0.199 31 Q C 1.907 177.904 176.000 -0.006 0.000 0.966 31 Q CA 1.578 57.373 55.803 -0.014 0.000 0.845 31 Q CB -0.189 28.547 28.738 -0.004 0.000 0.907 31 Q HN 0.355 nan 8.270 nan 0.000 0.439 32 R N -0.938 119.551 120.500 -0.018 0.000 2.148 32 R HA -0.052 4.287 4.340 -0.001 0.000 0.227 32 R C 1.810 178.110 176.300 0.000 0.000 1.103 32 R CA 1.068 57.166 56.100 -0.003 0.000 0.983 32 R CB -0.028 30.274 30.300 0.003 0.000 0.874 32 R HN 0.205 nan 8.270 nan 0.000 0.451 33 V N 0.622 120.528 119.914 -0.012 0.000 2.270 33 V HA -0.213 3.906 4.120 -0.001 0.000 0.245 33 V C 2.494 178.595 176.094 0.011 0.000 1.043 33 V CA 2.067 64.369 62.300 0.003 0.000 1.014 33 V CB -0.540 31.300 31.823 0.028 0.000 0.645 33 V HN 0.382 nan 8.190 nan 0.000 0.447 34 R N -0.119 120.390 120.500 0.014 0.000 2.092 34 R HA -0.174 4.165 4.340 -0.001 0.000 0.231 34 R C 1.995 178.307 176.300 0.021 0.000 1.119 34 R CA 1.886 57.998 56.100 0.020 0.000 0.970 34 R CB -0.299 30.017 30.300 0.027 0.000 0.864 34 R HN 0.494 nan 8.270 nan 0.000 0.440 35 D N 0.305 120.717 120.400 0.020 0.000 2.144 35 D HA -0.137 4.502 4.640 -0.001 0.000 0.200 35 D C 1.505 177.818 176.300 0.021 0.000 0.978 35 D CA 1.350 55.364 54.000 0.023 0.000 0.833 35 D CB 0.047 40.861 40.800 0.023 0.000 0.961 35 D HN 0.473 nan 8.370 nan 0.000 0.470 36 E N -0.494 119.717 120.200 0.019 0.000 2.216 36 E HA 0.109 4.459 4.350 -0.001 0.000 0.192 36 E C 1.880 178.490 176.600 0.016 0.000 0.973 36 E CA 0.284 56.697 56.400 0.020 0.000 0.851 36 E CB 0.424 30.139 29.700 0.025 0.000 0.804 36 E HN 0.238 nan 8.360 nan 0.000 0.477 37 L N -0.640 120.588 121.223 0.008 0.000 2.672 37 L HA 0.322 4.661 4.340 -0.001 0.000 0.236 37 L C 1.219 178.088 176.870 -0.001 0.000 1.092 37 L CA 0.195 55.032 54.840 -0.005 0.000 0.887 37 L CB 0.356 42.395 42.059 -0.033 0.000 1.168 37 L HN 0.209 nan 8.230 nan 0.000 0.502 38 G N 0.995 109.801 108.800 0.011 0.000 2.496 38 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.243 38 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.243 38 G C 0.045 174.959 174.900 0.023 0.000 1.176 38 G CA 0.196 45.310 45.100 0.023 0.000 0.940 38 G HN 0.110 nan 8.290 nan 0.000 0.573 39 D N -0.105 120.318 120.400 0.039 0.000 2.117 39 D HA 0.121 4.761 4.640 -0.001 0.000 0.197 39 D C 1.355 177.670 176.300 0.026 0.000 0.987 39 D CA 1.814 55.845 54.000 0.051 0.000 0.829 39 D CB -0.073 40.779 40.800 0.086 0.000 0.961 39 D HN 0.489 nan 8.370 nan 0.000 0.460 40 V N -0.019 119.880 119.914 -0.025 0.000 2.378 40 V HA 0.752 4.871 4.120 -0.001 0.000 0.288 40 V C 0.463 176.437 176.094 -0.200 0.000 1.016 40 V CA -0.597 61.634 62.300 -0.114 0.000 0.840 40 V CB 1.607 33.328 31.823 -0.169 0.000 0.994 40 V HN 0.141 nan 8.190 nan 0.000 0.431 41 G N 2.422 111.154 108.800 -0.114 0.000 2.704 41 G HA2 0.754 4.714 3.960 -0.001 0.000 0.293 41 G HA3 0.754 4.714 3.960 -0.001 0.000 0.293 41 G C -0.739 174.128 174.900 -0.055 0.000 1.421 41 G CA -0.118 44.927 45.100 -0.091 0.000 0.870 41 G HN 0.772 nan 8.290 nan 0.000 0.492 42 T N -1.735 112.785 114.554 -0.057 0.000 2.930 42 T HA 0.859 5.209 4.350 -0.001 0.000 0.290 42 T C -0.720 173.955 174.700 -0.042 0.000 1.052 42 T CA -0.832 61.206 62.100 -0.103 0.000 1.017 42 T CB 1.827 70.618 68.868 -0.129 0.000 1.137 42 T HN 1.443 nan 8.240 nan 0.000 0.511 43 F N -1.207 118.627 119.950 -0.193 0.000 2.626 43 F HA 0.702 5.228 4.527 -0.001 0.000 0.311 43 F C -0.780 174.966 175.800 -0.091 0.000 1.088 43 F CA -1.316 56.478 58.000 -0.345 0.000 0.949 43 F CB 1.983 40.661 39.000 -0.538 0.000 1.322 43 F HN 0.767 nan 8.300 nan 0.000 0.461 44 Q N 2.045 122.055 119.800 0.349 0.000 2.290 44 Q HA 0.537 4.877 4.340 -0.001 0.000 0.259 44 Q C -1.926 174.197 176.000 0.205 0.000 0.941 44 Q CA -0.986 54.925 55.803 0.180 0.000 0.912 44 Q CB 1.712 30.569 28.738 0.198 0.000 1.244 44 Q HN 0.832 nan 8.270 nan 0.000 0.441 45 L N 4.794 126.027 121.223 0.016 0.000 2.297 45 L HA 0.449 4.789 4.340 -0.001 0.000 0.277 45 L C 0.403 177.300 176.870 0.044 0.000 1.040 45 L CA 1.065 55.909 54.840 0.007 0.000 0.867 45 L CB 0.080 42.008 42.059 -0.217 0.000 1.244 45 L HN 0.966 nan 8.230 nan 0.000 0.433 46 A N 3.957 126.850 122.820 0.123 0.000 5.150 46 A HA -0.303 4.016 4.320 -0.001 0.000 0.324 46 A C 1.536 179.199 177.584 0.130 0.000 1.862 46 A CA 1.455 53.597 52.037 0.176 0.000 0.710 46 A CB -1.935 17.126 19.000 0.102 0.000 1.367 46 A HN 0.905 nan 8.150 nan 0.000 0.380 47 G N -0.912 107.949 108.800 0.102 0.000 2.545 47 G HA2 0.298 4.258 3.960 -0.001 0.000 0.212 47 G HA3 0.298 4.258 3.960 -0.001 0.000 0.212 47 G C 0.623 175.542 174.900 0.032 0.000 1.144 47 G CA 0.951 46.092 45.100 0.068 0.000 0.813 47 G HN 0.707 nan 8.290 nan 0.000 0.531 48 K N 0.966 121.380 120.400 0.022 0.000 2.295 48 K HA 0.211 4.530 4.320 -0.001 0.000 0.270 48 K C -0.225 176.315 176.600 -0.099 0.000 1.011 48 K CA -0.072 56.199 56.287 -0.027 0.000 0.953 48 K CB 1.218 33.711 32.500 -0.011 0.000 0.956 48 K HN 0.293 nan 8.250 nan 0.000 0.477 49 Q N 1.376 121.099 119.800 -0.128 0.000 2.282 49 Q HA 0.343 4.682 4.340 -0.001 0.000 0.260 49 Q C -1.265 174.543 176.000 -0.320 0.000 0.964 49 Q CA -0.745 54.938 55.803 -0.200 0.000 0.880 49 Q CB 1.643 30.311 28.738 -0.117 0.000 1.286 49 Q HN 0.254 nan 8.270 nan 0.000 0.445 50 V N 3.986 123.551 119.914 -0.583 0.000 2.384 50 V HA 0.284 4.403 4.120 -0.001 0.000 0.287 50 V C -0.310 175.473 176.094 -0.520 0.000 1.020 50 V CA -0.727 61.166 62.300 -0.678 0.000 0.850 50 V CB 1.691 32.758 31.823 -1.260 0.000 0.987 50 V HN 0.583 nan 8.190 nan 0.000 0.436 51 V N 6.501 126.261 119.914 -0.256 0.000 2.339 51 V HA 0.250 4.370 4.120 -0.001 0.000 0.261 51 V C -0.035 176.012 176.094 -0.078 0.000 1.058 51 V CA -0.328 61.892 62.300 -0.134 0.000 0.897 51 V CB 1.051 32.850 31.823 -0.040 0.000 1.052 51 V HN 0.642 nan 8.190 nan 0.000 0.480 52 L N 7.482 128.671 121.223 -0.057 0.000 2.315 52 L HA 0.452 4.792 4.340 -0.001 0.000 0.283 52 L C -0.301 176.571 176.870 0.004 0.000 1.089 52 L CA 0.534 55.387 54.840 0.022 0.000 0.833 52 L CB 0.423 42.576 42.059 0.157 0.000 1.170 52 L HN 0.458 nan 8.230 nan 0.000 0.442 53 L N 4.981 126.191 121.223 -0.021 0.000 2.322 53 L HA 0.757 5.096 4.340 -0.001 0.000 0.279 53 L C 0.103 176.960 176.870 -0.021 0.000 1.036 53 L CA -0.357 54.481 54.840 -0.004 0.000 0.807 53 L CB 1.682 43.759 42.059 0.030 0.000 1.226 53 L HN 0.794 nan 8.230 nan 0.000 0.433 54 S N 0.499 116.217 115.700 0.029 0.000 2.570 54 S HA 0.926 5.395 4.470 -0.001 0.000 0.270 54 S C -0.427 174.226 174.600 0.088 0.000 1.149 54 S CA -0.298 57.932 58.200 0.050 0.000 0.837 54 S CB 1.903 65.130 63.200 0.045 0.000 1.124 54 S HN 1.316 nan 8.310 nan 0.000 0.465 55 G N 0.699 109.568 108.800 0.114 0.000 2.692 55 G HA2 0.038 3.998 3.960 -0.001 0.000 0.686 55 G HA3 0.038 3.998 3.960 -0.001 0.000 0.686 55 G C 0.493 175.497 174.900 0.174 0.000 1.243 55 G CA 0.126 45.305 45.100 0.131 0.000 0.782 55 G HN 1.681 nan 8.290 nan 0.000 0.625 56 S N -0.430 115.386 115.700 0.193 0.000 2.372 56 S HA -0.272 4.197 4.470 -0.001 0.000 0.227 56 S C 1.920 176.616 174.600 0.160 0.000 1.044 56 S CA 2.257 60.606 58.200 0.249 0.000 1.050 56 S CB -0.402 62.947 63.200 0.248 0.000 0.901 56 S HN 0.979 nan 8.310 nan 0.000 0.447 57 H N 0.825 119.931 119.070 0.061 0.000 2.321 57 H HA -0.012 4.544 4.556 -0.001 0.000 0.300 57 H C 2.284 177.624 175.328 0.021 0.000 1.087 57 H CA 1.731 57.782 56.048 0.006 0.000 1.319 57 H CB -0.688 29.081 29.762 0.011 0.000 1.379 57 H HN 0.489 nan 8.280 nan 0.000 0.501 58 A N 1.361 124.257 122.820 0.126 0.000 1.877 58 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 58 A C 2.319 179.960 177.584 0.095 0.000 1.186 58 A CA 1.617 53.719 52.037 0.108 0.000 0.620 58 A CB -0.470 18.609 19.000 0.132 0.000 0.822 58 A HN 0.485 nan 8.150 nan 0.000 0.443 59 N N -0.214 118.550 118.700 0.107 0.000 2.104 59 N HA -0.173 4.567 4.740 -0.001 0.000 0.190 59 N C 1.692 177.293 175.510 0.152 0.000 1.024 59 N CA 1.504 54.663 53.050 0.181 0.000 0.853 59 N CB -0.463 38.259 38.487 0.392 0.000 1.008 59 N HN 0.753 nan 8.380 nan 0.000 0.424 60 E N -0.226 119.849 120.200 -0.208 0.000 2.058 60 E HA -0.206 4.144 4.350 -0.001 0.000 0.194 60 E C 1.782 178.102 176.600 -0.467 0.000 0.997 60 E CA 0.839 56.722 56.400 -0.863 0.000 0.801 60 E CB -0.184 28.804 29.700 -1.187 0.000 0.746 60 E HN 0.317 nan 8.360 nan 0.000 0.450 61 F N 0.500 120.207 119.950 -0.405 0.000 2.095 61 F HA -0.227 4.299 4.527 -0.001 0.000 0.298 61 F C 1.942 177.632 175.800 -0.183 0.000 1.104 61 F CA 1.757 59.579 58.000 -0.296 0.000 1.232 61 F CB -0.619 38.227 39.000 -0.255 0.000 0.987 61 F HN 0.113 nan 8.300 nan 0.000 0.475 62 F N -0.112 119.651 119.950 -0.312 0.000 2.095 62 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 62 F C 1.839 177.371 175.800 -0.447 0.000 1.104 62 F CA 1.931 59.672 58.000 -0.432 0.000 1.232 62 F CB -0.687 38.067 39.000 -0.411 0.000 0.987 62 F HN -0.033 nan 8.300 nan 0.000 0.475 63 F N 0.252 120.274 119.950 0.120 0.000 2.456 63 F HA 0.096 4.623 4.527 -0.001 0.000 0.298 63 F C 2.190 177.966 175.800 -0.041 0.000 1.104 63 F CA 0.836 58.916 58.000 0.132 0.000 1.435 63 F CB -0.516 38.761 39.000 0.462 0.000 1.078 63 F HN -0.169 nan 8.300 nan 0.000 0.546 64 R N 0.056 120.518 120.500 -0.064 0.000 2.297 64 R HA 0.296 4.636 4.340 -0.001 0.000 0.197 64 R C 0.772 176.929 176.300 -0.238 0.000 0.943 64 R CA 0.170 56.199 56.100 -0.119 0.000 1.038 64 R CB -0.123 30.064 30.300 -0.188 0.000 0.957 64 R HN 0.086 nan 8.270 nan 0.000 0.484 65 A N 1.056 123.631 122.820 -0.409 0.000 2.407 65 A HA 0.452 4.772 4.320 -0.001 0.000 0.248 65 A C 0.543 177.964 177.584 -0.271 0.000 1.082 65 A CA -0.071 51.672 52.037 -0.490 0.000 0.785 65 A CB 0.398 18.927 19.000 -0.785 0.000 1.020 65 A HN 0.282 nan 8.150 nan 0.000 0.489 66 G N 0.342 109.012 108.800 -0.218 0.000 2.507 66 G HA2 0.370 4.329 3.960 -0.001 0.000 0.271 66 G HA3 0.370 4.329 3.960 -0.001 0.000 0.271 66 G C 0.570 175.422 174.900 -0.081 0.000 1.189 66 G CA 0.342 45.390 45.100 -0.087 0.000 0.859 66 G HN 0.833 nan 8.290 nan 0.000 0.542 67 D N 0.193 120.589 120.400 -0.006 0.000 2.384 67 D HA -0.153 4.486 4.640 -0.001 0.000 0.222 67 D C 1.129 177.408 176.300 -0.034 0.000 0.976 67 D CA 1.149 55.123 54.000 -0.044 0.000 0.915 67 D CB -0.072 40.705 40.800 -0.040 0.000 0.896 67 D HN 0.547 nan 8.370 nan 0.000 0.523 68 D N 0.030 120.419 120.400 -0.019 0.000 2.347 68 D HA -0.097 4.543 4.640 -0.001 0.000 0.213 68 D C 0.797 177.127 176.300 0.050 0.000 0.985 68 D CA 0.270 54.278 54.000 0.013 0.000 0.879 68 D CB 0.090 40.902 40.800 0.021 0.000 0.919 68 D HN 0.143 nan 8.370 nan 0.000 0.526 69 D N 0.575 120.966 120.400 -0.015 0.000 2.652 69 D HA 0.162 4.801 4.640 -0.001 0.000 0.261 69 D C 0.700 177.015 176.300 0.024 0.000 1.024 69 D CA 0.194 54.209 54.000 0.024 0.000 0.958 69 D CB 0.925 41.435 40.800 -0.482 0.000 1.113 69 D HN 0.164 nan 8.370 nan 0.000 0.471 70 L N 2.169 123.295 121.223 -0.161 0.000 2.301 70 L HA 0.294 4.633 4.340 -0.001 0.000 0.278 70 L C -0.433 176.349 176.870 -0.146 0.000 1.022 70 L CA -0.751 53.988 54.840 -0.168 0.000 0.854 70 L CB 1.550 43.380 42.059 -0.383 0.000 1.226 70 L HN -0.150 nan 8.230 nan 0.000 0.429 71 D N 1.660 122.013 120.400 -0.077 0.000 2.264 71 D HA 0.087 4.726 4.640 -0.001 0.000 0.249 71 D C 0.452 176.705 176.300 -0.079 0.000 1.070 71 D CA -0.024 53.933 54.000 -0.072 0.000 0.912 71 D CB 1.876 42.653 40.800 -0.038 0.000 1.193 71 D HN 0.478 nan 8.370 nan 0.000 0.427 72 Q N 2.395 122.155 119.800 -0.067 0.000 2.373 72 Q HA 0.119 4.459 4.340 -0.001 0.000 0.210 72 Q C 1.736 177.732 176.000 -0.006 0.000 0.913 72 Q CA 0.500 56.288 55.803 -0.026 0.000 0.911 72 Q CB 0.102 28.855 28.738 0.025 0.000 1.040 72 Q HN 0.614 nan 8.270 nan 0.000 0.521 73 A N 1.830 124.642 122.820 -0.014 0.000 1.896 73 A HA -0.248 4.072 4.320 -0.001 0.000 0.220 73 A C 1.662 179.226 177.584 -0.034 0.000 1.206 73 A CA 2.041 54.074 52.037 -0.006 0.000 0.647 73 A CB -0.356 18.635 19.000 -0.015 0.000 0.828 73 A HN 0.249 nan 8.150 nan 0.000 0.455 74 K N -0.419 119.944 120.400 -0.062 0.000 2.374 74 K HA 0.430 4.750 4.320 -0.001 0.000 0.196 74 K C 1.600 178.112 176.600 -0.146 0.000 1.023 74 K CA 0.770 57.001 56.287 -0.093 0.000 1.103 74 K CB -0.477 31.983 32.500 -0.066 0.000 0.848 74 K HN 0.430 nan 8.250 nan 0.000 0.528 75 A N 0.582 123.286 122.820 -0.194 0.000 2.015 75 A HA -0.087 4.232 4.320 -0.001 0.000 0.219 75 A C 0.159 177.424 177.584 -0.531 0.000 1.163 75 A CA 0.887 52.713 52.037 -0.352 0.000 0.646 75 A CB -0.340 18.356 19.000 -0.507 0.000 0.806 75 A HN 0.257 nan 8.150 nan 0.000 0.448 76 Y N -0.545 119.579 120.300 -0.292 0.000 2.748 76 Y HA 0.296 4.846 4.550 -0.001 0.000 0.359 76 Y C -1.757 173.508 175.900 -1.058 0.000 1.030 76 Y CA -2.519 55.085 58.100 -0.827 0.000 1.169 76 Y CB 0.783 38.691 38.460 -0.919 0.000 1.127 76 Y HN 0.170 nan 8.280 nan 0.000 0.644 77 P HA -0.219 nan 4.420 nan 0.000 0.221 77 P C 1.157 178.112 177.300 -0.575 0.000 1.145 77 P CA 1.385 64.154 63.100 -0.553 0.000 0.795 77 P CB -0.122 31.301 31.700 -0.461 0.000 0.775 78 F N -2.686 117.034 119.950 -0.384 0.000 2.699 78 F HA 0.106 4.632 4.527 -0.001 0.000 0.298 78 F C 1.859 177.384 175.800 -0.458 0.000 1.154 78 F CA 0.336 58.081 58.000 -0.425 0.000 1.457 78 F CB -1.409 37.422 39.000 -0.283 0.000 1.106 78 F HN -0.267 nan 8.300 nan 0.000 0.585 79 M N 0.456 119.628 119.600 -0.713 0.000 2.447 79 M HA -0.006 4.473 4.480 -0.001 0.000 0.264 79 M C 1.854 177.775 176.300 -0.632 0.000 1.095 79 M CA 0.851 55.672 55.300 -0.800 0.000 1.125 79 M CB -1.505 30.566 32.600 -0.881 0.000 1.389 79 M HN 0.170 nan 8.290 nan 0.000 0.459 80 T N 1.474 115.788 114.554 -0.401 0.000 2.674 80 T HA -0.084 4.266 4.350 -0.001 0.000 0.265 80 T C -0.628 173.968 174.700 -0.173 0.000 1.039 80 T CA 1.461 63.437 62.100 -0.206 0.000 1.150 80 T CB -1.310 67.478 68.868 -0.133 0.000 0.864 80 T HN 0.194 nan 8.240 nan 0.000 0.427 81 P HA 0.036 nan 4.420 nan 0.000 0.217 81 P C 1.463 178.655 177.300 -0.180 0.000 1.150 81 P CA 0.849 63.825 63.100 -0.207 0.000 0.832 81 P CB -0.173 31.269 31.700 -0.430 0.000 0.787 82 I N -2.077 118.313 120.570 -0.301 0.000 2.113 82 I HA -0.254 3.916 4.170 -0.001 0.000 0.238 82 I C 2.135 178.165 176.117 -0.145 0.000 1.070 82 I CA 1.609 62.720 61.300 -0.314 0.000 1.332 82 I CB -0.797 36.852 38.000 -0.584 0.000 1.044 82 I HN -0.134 nan 8.210 nan 0.000 0.402 83 F N 1.006 120.835 119.950 -0.201 0.000 2.146 83 F HA 0.133 4.660 4.527 -0.001 0.000 0.298 83 F C 1.604 177.351 175.800 -0.088 0.000 1.096 83 F CA 0.872 58.790 58.000 -0.136 0.000 1.275 83 F CB -1.336 37.583 39.000 -0.136 0.000 1.008 83 F HN 0.260 nan 8.300 nan 0.000 0.480 100 L N -0.199 121.048 121.223 0.040 0.000 2.179 100 L HA -0.037 4.303 4.340 -0.001 0.000 0.208 100 L C 2.542 179.450 176.870 0.065 0.000 1.096 100 L CA 2.593 57.444 54.840 0.018 0.000 0.779 100 L CB -0.494 41.562 42.059 -0.005 0.000 0.922 100 L HN 0.939 nan 8.230 nan 0.000 0.443 101 H N 0.076 119.131 119.070 -0.025 0.000 2.319 101 H HA -0.194 4.361 4.556 -0.001 0.000 0.299 101 H C 1.885 177.209 175.328 -0.007 0.000 1.092 101 H CA 1.736 57.774 56.048 -0.016 0.000 1.302 101 H CB 0.346 30.110 29.762 0.002 0.000 1.373 101 H HN 0.420 nan 8.280 nan 0.000 0.497 102 N N 0.504 119.214 118.700 0.018 0.000 2.166 102 N HA -0.127 4.613 4.740 -0.001 0.000 0.186 102 N C 2.004 177.510 175.510 -0.006 0.000 1.019 102 N CA 1.086 54.097 53.050 -0.065 0.000 0.856 102 N CB -0.330 38.124 38.487 -0.055 0.000 0.993 102 N HN 0.424 nan 8.380 nan 0.000 0.426 103 A N 0.475 123.305 122.820 0.017 0.000 1.872 103 A HA 0.231 4.550 4.320 -0.001 0.000 0.214 103 A C 1.966 179.573 177.584 0.039 0.000 1.187 103 A CA 1.895 53.943 52.037 0.018 0.000 0.614 103 A CB -0.189 18.814 19.000 0.006 0.000 0.826 103 A HN 0.339 nan 8.150 nan 0.000 0.442 104 A N -1.884 120.961 122.820 0.042 0.000 2.498 104 A HA 0.523 4.843 4.320 -0.001 0.000 0.238 104 A C 1.045 178.704 177.584 0.124 0.000 1.225 104 A CA -0.119 51.964 52.037 0.077 0.000 0.978 104 A CB 0.256 19.209 19.000 -0.078 0.000 1.142 104 A HN 0.282 nan 8.150 nan 0.000 0.552 105 L N 0.846 122.151 121.223 0.136 0.000 2.872 105 L HA 0.267 4.607 4.340 -0.001 0.000 0.245 105 L C 0.123 177.173 176.870 0.298 0.000 1.211 105 L CA -0.271 54.682 54.840 0.187 0.000 1.013 105 L CB -0.045 42.058 42.059 0.074 0.000 1.326 105 L HN 0.223 nan 8.230 nan 0.000 0.525 106 R N 0.179 120.803 120.500 0.206 0.000 2.491 106 R HA 0.150 4.489 4.340 -0.001 0.000 0.283 106 R C 1.451 177.824 176.300 0.122 0.000 1.072 106 R CA 0.304 56.481 56.100 0.128 0.000 1.048 106 R CB 0.849 31.173 30.300 0.041 0.000 0.983 106 R HN 0.145 nan 8.270 nan 0.000 0.450 107 G N 2.630 111.492 108.800 0.104 0.000 2.475 107 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.220 107 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.220 107 G C 1.151 176.078 174.900 0.044 0.000 1.125 107 G CA 1.000 46.146 45.100 0.077 0.000 0.755 107 G HN 0.856 nan 8.290 nan 0.000 0.565 108 E N 0.074 120.289 120.200 0.025 0.000 2.265 108 E HA -0.179 4.171 4.350 -0.001 0.000 0.196 108 E C 2.073 178.658 176.600 -0.025 0.000 0.996 108 E CA 1.090 57.490 56.400 -0.000 0.000 0.832 108 E CB -0.301 29.395 29.700 -0.006 0.000 0.756 108 E HN 0.592 nan 8.360 nan 0.000 0.491 109 Q N -0.450 119.335 119.800 -0.025 0.000 2.354 109 Q HA 0.069 4.409 4.340 -0.001 0.000 0.203 109 Q C 2.081 177.971 176.000 -0.182 0.000 0.933 109 Q CA 0.359 56.069 55.803 -0.154 0.000 0.901 109 Q CB 0.084 28.740 28.738 -0.137 0.000 1.007 109 Q HN 0.273 nan 8.270 nan 0.000 0.495 110 M N 1.139 120.768 119.600 0.048 0.000 2.089 110 M HA -0.244 4.235 4.480 -0.001 0.000 0.257 110 M C 2.093 178.427 176.300 0.057 0.000 1.071 110 M CA 1.736 57.119 55.300 0.137 0.000 1.096 110 M CB -0.906 31.762 32.600 0.113 0.000 1.330 110 M HN 0.125 nan 8.290 nan 0.000 0.403 111 K N -0.200 120.201 120.400 0.002 0.000 2.001 111 K HA -0.168 4.151 4.320 -0.001 0.000 0.214 111 K C 2.038 178.637 176.600 -0.001 0.000 1.050 111 K CA 2.003 58.290 56.287 0.001 0.000 0.934 111 K CB -0.612 31.885 32.500 -0.005 0.000 0.718 111 K HN 0.406 nan 8.250 nan 0.000 0.443 112 G N 0.111 108.873 108.800 -0.063 0.000 2.440 112 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.218 112 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.218 112 G C 1.189 176.088 174.900 -0.002 0.000 1.154 112 G CA 1.080 46.136 45.100 -0.072 0.000 0.767 112 G HN 0.378 nan 8.290 nan 0.000 0.552 113 H N 0.795 119.920 119.070 0.093 0.000 2.421 113 H HA 0.070 4.625 4.556 -0.001 0.000 0.298 113 H C 2.879 178.246 175.328 0.065 0.000 1.087 113 H CA 0.987 57.115 56.048 0.133 0.000 1.330 113 H CB -0.601 29.330 29.762 0.282 0.000 1.388 113 H HN 0.391 nan 8.280 nan 0.000 0.526 114 A N 1.111 124.018 122.820 0.146 0.000 1.902 114 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 114 A C 2.706 180.334 177.584 0.074 0.000 1.181 114 A CA 1.882 53.963 52.037 0.073 0.000 0.623 114 A CB -0.823 18.209 19.000 0.054 0.000 0.818 114 A HN 0.435 nan 8.150 nan 0.000 0.443 115 A N -1.087 121.777 122.820 0.074 0.000 1.873 115 A HA -0.055 4.265 4.320 -0.001 0.000 0.215 115 A C 2.310 179.931 177.584 0.061 0.000 1.186 115 A CA 2.249 54.323 52.037 0.062 0.000 0.616 115 A CB -1.335 17.693 19.000 0.048 0.000 0.823 115 A HN 0.425 nan 8.150 nan 0.000 0.442 116 T N 0.677 115.281 114.554 0.085 0.000 2.635 116 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 116 T C 1.805 176.545 174.700 0.066 0.000 1.040 116 T CA 1.754 63.907 62.100 0.087 0.000 1.156 116 T CB -0.516 68.445 68.868 0.155 0.000 0.863 116 T HN 0.424 nan 8.240 nan 0.000 0.430 117 I N 0.930 121.544 120.570 0.074 0.000 2.163 117 I HA -0.226 3.943 4.170 -0.001 0.000 0.243 117 I C 2.792 178.918 176.117 0.015 0.000 1.085 117 I CA 1.689 63.010 61.300 0.035 0.000 1.347 117 I CB -0.474 37.525 38.000 -0.002 0.000 1.044 117 I HN 0.405 nan 8.210 nan 0.000 0.408 118 E N 1.196 121.411 120.200 0.025 0.000 2.070 118 E HA -0.344 4.005 4.350 -0.001 0.000 0.197 118 E C 1.799 178.398 176.600 -0.002 0.000 1.004 118 E CA 2.144 58.554 56.400 0.017 0.000 0.805 118 E CB -0.121 29.605 29.700 0.043 0.000 0.744 118 E HN 0.444 nan 8.360 nan 0.000 0.451 119 D N -0.331 120.071 120.400 0.004 0.000 2.117 119 D HA -0.189 4.450 4.640 -0.001 0.000 0.197 119 D C 2.028 178.307 176.300 -0.034 0.000 0.987 119 D CA 1.176 55.169 54.000 -0.013 0.000 0.829 119 D CB -0.029 40.769 40.800 -0.005 0.000 0.961 119 D HN 0.147 nan 8.370 nan 0.000 0.460 120 Q N -0.046 119.740 119.800 -0.024 0.000 2.124 120 Q HA -0.066 4.274 4.340 -0.001 0.000 0.202 120 Q C 2.491 178.459 176.000 -0.054 0.000 0.977 120 Q CA 0.650 56.432 55.803 -0.036 0.000 0.850 120 Q CB -0.513 28.231 28.738 0.010 0.000 0.901 120 Q HN 0.307 nan 8.270 nan 0.000 0.429 121 V N 0.941 120.823 119.914 -0.053 0.000 2.307 121 V HA -0.235 3.884 4.120 -0.001 0.000 0.245 121 V C 2.393 178.417 176.094 -0.117 0.000 1.045 121 V CA 1.743 63.994 62.300 -0.082 0.000 1.024 121 V CB -0.479 31.303 31.823 -0.069 0.000 0.651 121 V HN 0.305 nan 8.190 nan 0.000 0.449 122 R N -0.318 120.127 120.500 -0.092 0.000 2.105 122 R HA -0.183 4.156 4.340 -0.001 0.000 0.239 122 R C 2.519 178.757 176.300 -0.103 0.000 1.135 122 R CA 1.704 57.746 56.100 -0.097 0.000 0.967 122 R CB -0.390 29.876 30.300 -0.057 0.000 0.861 122 R HN 0.456 nan 8.270 nan 0.000 0.442 123 R N 0.358 120.802 120.500 -0.093 0.000 2.066 123 R HA -0.090 4.250 4.340 -0.001 0.000 0.232 123 R C 2.192 178.431 176.300 -0.101 0.000 1.131 123 R CA 1.290 57.332 56.100 -0.097 0.000 0.955 123 R CB -0.027 30.200 30.300 -0.122 0.000 0.851 123 R HN 0.087 nan 8.270 nan 0.000 0.432 124 M N 1.066 120.601 119.600 -0.108 0.000 2.108 124 M HA -0.142 4.337 4.480 -0.001 0.000 0.261 124 M C 2.198 178.436 176.300 -0.103 0.000 1.066 124 M CA 1.525 56.781 55.300 -0.073 0.000 1.107 124 M CB -0.460 32.069 32.600 -0.119 0.000 1.356 124 M HN 0.366 nan 8.290 nan 0.000 0.406 125 I N -3.087 117.272 120.570 -0.352 0.000 3.793 125 I HA 0.180 4.349 4.170 -0.001 0.000 0.315 125 I C 2.029 177.961 176.117 -0.309 0.000 1.275 125 I CA 0.327 61.115 61.300 -0.853 0.000 1.214 125 I CB -0.661 36.493 38.000 -1.410 0.000 1.018 125 I HN -0.007 nan 8.210 nan 0.000 0.439 126 A N 2.604 125.355 122.820 -0.115 0.000 1.986 126 A HA -0.273 4.046 4.320 -0.001 0.000 0.220 126 A C 1.723 179.351 177.584 0.073 0.000 1.171 126 A CA 2.298 54.328 52.037 -0.011 0.000 0.640 126 A CB -0.746 18.244 19.000 -0.016 0.000 0.811 126 A HN 0.758 nan 8.150 nan 0.000 0.451 127 D N -3.370 117.110 120.400 0.133 0.000 2.368 127 D HA 0.018 4.658 4.640 -0.001 0.000 0.218 127 D C 0.943 177.402 176.300 0.265 0.000 1.112 127 D CA -0.383 53.720 54.000 0.172 0.000 0.834 127 D CB -0.523 40.359 40.800 0.137 0.000 0.953 127 D HN 0.457 nan 8.370 nan 0.000 0.505 128 W N 2.132 123.393 121.300 -0.065 0.000 2.363 128 W HA 0.225 4.884 4.660 -0.001 0.000 0.296 128 W C 1.887 178.473 176.519 0.112 0.000 1.212 128 W CA 1.622 58.870 57.345 -0.161 0.000 1.260 128 W CB -0.690 28.359 29.460 -0.685 0.000 1.131 128 W HN 0.322 nan 8.180 nan 0.000 0.530 129 G N 0.020 109.040 108.800 0.366 0.000 2.569 129 G HA2 -0.473 3.486 3.960 -0.001 0.000 0.259 129 G HA3 -0.473 3.486 3.960 -0.001 0.000 0.259 129 G C 0.745 175.890 174.900 0.408 0.000 1.263 129 G CA 0.732 46.014 45.100 0.302 0.000 0.928 129 G HN 0.272 nan 8.290 nan 0.000 0.572 130 E N 0.039 120.394 120.200 0.259 0.000 2.006 130 E HA 0.396 4.745 4.350 -0.001 0.000 0.192 130 E C 1.417 178.178 176.600 0.268 0.000 0.993 130 E CA 2.355 58.887 56.400 0.219 0.000 0.808 130 E CB -0.224 29.527 29.700 0.086 0.000 0.764 130 E HN 1.657 nan 8.360 nan 0.000 0.449 131 A N -1.512 121.348 122.820 0.066 0.000 2.532 131 A HA 0.817 5.137 4.320 -0.001 0.000 0.290 131 A C 0.005 177.162 177.584 -0.712 0.000 1.143 131 A CA -0.370 51.500 52.037 -0.279 0.000 0.728 131 A CB 1.701 20.558 19.000 -0.238 0.000 1.317 131 A HN 0.492 nan 8.150 nan 0.000 0.414 132 G N -0.879 107.022 108.800 -1.498 0.000 2.336 132 G HA2 0.495 4.455 3.960 -0.001 0.000 0.286 132 G HA3 0.495 4.455 3.960 -0.001 0.000 0.286 132 G C -1.640 172.532 174.900 -1.214 0.000 1.269 132 G CA 0.125 44.464 45.100 -1.268 0.000 0.873 132 G HN 0.939 nan 8.290 nan 0.000 0.494 133 E N -0.920 118.923 120.200 -0.596 0.000 2.356 133 E HA 0.676 5.026 4.350 -0.001 0.000 0.275 133 E C -0.903 175.587 176.600 -0.184 0.000 0.904 133 E CA -0.929 55.278 56.400 -0.323 0.000 0.757 133 E CB 2.370 31.936 29.700 -0.224 0.000 1.232 133 E HN 0.875 nan 8.360 nan 0.000 0.442 134 I N -0.878 119.601 120.570 -0.151 0.000 3.174 134 I HA 0.594 4.763 4.170 -0.001 0.000 0.313 134 I C -1.164 174.917 176.117 -0.060 0.000 1.155 134 I CA -0.969 60.251 61.300 -0.133 0.000 0.977 134 I CB 2.207 40.049 38.000 -0.262 0.000 1.248 134 I HN 0.347 nan 8.210 nan 0.000 0.453 135 D N 2.472 122.863 120.400 -0.016 0.000 2.308 135 D HA 0.366 5.006 4.640 -0.001 0.000 0.242 135 D C 0.787 177.113 176.300 0.044 0.000 1.059 135 D CA -0.455 53.549 54.000 0.006 0.000 0.830 135 D CB 2.147 42.946 40.800 -0.002 0.000 1.161 135 D HN 0.738 nan 8.370 nan 0.000 0.494 136 L N 3.308 124.568 121.223 0.062 0.000 2.043 136 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 136 L C 2.359 179.348 176.870 0.198 0.000 1.075 136 L CA 0.949 55.873 54.840 0.140 0.000 0.752 136 L CB -0.358 41.792 42.059 0.151 0.000 0.891 136 L HN 0.473 nan 8.230 nan 0.000 0.432 137 L N -0.176 121.108 121.223 0.100 0.000 1.994 137 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 137 L C 2.150 179.050 176.870 0.050 0.000 1.071 137 L CA 1.926 56.812 54.840 0.077 0.000 0.745 137 L CB -0.739 41.333 42.059 0.022 0.000 0.892 137 L HN 0.193 nan 8.230 nan 0.000 0.431 138 D N -0.823 119.589 120.400 0.020 0.000 2.092 138 D HA -0.256 4.384 4.640 -0.001 0.000 0.193 138 D C 2.022 178.337 176.300 0.025 0.000 0.994 138 D CA 1.858 55.855 54.000 -0.005 0.000 0.828 138 D CB -0.418 40.385 40.800 0.006 0.000 0.963 138 D HN 0.399 nan 8.370 nan 0.000 0.450 139 F N 0.915 120.812 119.950 -0.089 0.000 2.026 139 F HA -0.243 4.283 4.527 -0.001 0.000 0.296 139 F C 2.223 177.928 175.800 -0.159 0.000 1.133 139 F CA 1.464 59.372 58.000 -0.153 0.000 1.188 139 F CB -0.564 38.266 39.000 -0.284 0.000 0.968 139 F HN -0.177 nan 8.300 nan 0.000 0.476 140 F N 0.688 120.651 119.950 0.022 0.000 2.216 140 F HA -0.068 4.458 4.527 -0.001 0.000 0.300 140 F C 2.534 178.224 175.800 -0.184 0.000 1.085 140 F CA 1.004 58.926 58.000 -0.130 0.000 1.326 140 F CB -1.582 37.436 39.000 0.029 0.000 1.027 140 F HN 0.123 nan 8.300 nan 0.000 0.497 141 A N -0.246 122.608 122.820 0.056 0.000 1.873 141 A HA -0.233 4.086 4.320 -0.001 0.000 0.215 141 A C 2.221 179.830 177.584 0.042 0.000 1.186 141 A CA 1.810 53.872 52.037 0.041 0.000 0.616 141 A CB -0.871 18.173 19.000 0.073 0.000 0.823 141 A HN 0.428 nan 8.150 nan 0.000 0.442 142 E N -0.555 119.567 120.200 -0.129 0.000 2.106 142 E HA -0.173 4.177 4.350 -0.001 0.000 0.192 142 E C 1.895 178.178 176.600 -0.529 0.000 0.984 142 E CA 1.212 57.413 56.400 -0.333 0.000 0.806 142 E CB -0.212 29.316 29.700 -0.286 0.000 0.750 142 E HN 0.419 nan 8.360 nan 0.000 0.458 143 L N 1.246 122.220 121.223 -0.416 0.000 2.046 143 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 143 L C 2.418 179.197 176.870 -0.151 0.000 1.077 143 L CA 2.646 57.288 54.840 -0.329 0.000 0.747 143 L CB -0.970 40.753 42.059 -0.560 0.000 0.896 143 L HN 0.338 nan 8.230 nan 0.000 0.432 144 T N -3.252 111.245 114.554 -0.094 0.000 2.995 144 T HA -0.065 4.285 4.350 -0.001 0.000 0.269 144 T C 1.975 176.716 174.700 0.068 0.000 1.091 144 T CA 0.900 62.999 62.100 -0.002 0.000 1.128 144 T CB -0.502 68.321 68.868 -0.074 0.000 0.891 144 T HN 0.229 nan 8.240 nan 0.000 0.492 145 I N 0.452 120.998 120.570 -0.040 0.000 2.252 145 I HA -0.032 4.138 4.170 -0.001 0.000 0.245 145 I C 2.198 178.221 176.117 -0.157 0.000 1.102 145 I CA 1.135 62.327 61.300 -0.180 0.000 1.385 145 I CB -1.017 36.776 38.000 -0.345 0.000 1.064 145 I HN 0.203 nan 8.210 nan 0.000 0.414 146 Y N 1.438 121.693 120.300 -0.075 0.000 2.220 146 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 146 Y C 2.948 178.811 175.900 -0.061 0.000 1.129 146 Y CA 1.479 59.519 58.100 -0.101 0.000 1.161 146 Y CB -1.667 36.727 38.460 -0.110 0.000 0.997 146 Y HN 0.292 nan 8.280 nan 0.000 0.522 147 T N -3.131 111.493 114.554 0.117 0.000 2.737 147 T HA -0.151 4.199 4.350 -0.001 0.000 0.265 147 T C 2.140 176.906 174.700 0.110 0.000 1.038 147 T CA 1.592 63.754 62.100 0.103 0.000 1.144 147 T CB -0.830 68.088 68.868 0.084 0.000 0.866 147 T HN 0.181 nan 8.240 nan 0.000 0.434 148 S N 2.228 117.977 115.700 0.081 0.000 2.348 148 S HA -0.121 4.349 4.470 -0.001 0.000 0.221 148 S C 2.630 177.204 174.600 -0.043 0.000 1.033 148 S CA 1.599 59.814 58.200 0.026 0.000 1.010 148 S CB -0.700 62.510 63.200 0.016 0.000 0.891 148 S HN 0.863 nan 8.310 nan 0.000 0.442 149 S N 2.523 118.195 115.700 -0.046 0.000 2.370 149 S HA -0.058 4.411 4.470 -0.001 0.000 0.226 149 S C 2.031 176.627 174.600 -0.007 0.000 1.033 149 S CA 1.052 59.220 58.200 -0.053 0.000 1.011 149 S CB -0.677 62.475 63.200 -0.080 0.000 0.852 149 S HN 0.510 nan 8.310 nan 0.000 0.457 150 A N 0.686 123.519 122.820 0.022 0.000 1.898 150 A HA 0.005 4.324 4.320 -0.001 0.000 0.216 150 A C 2.515 180.134 177.584 0.058 0.000 1.181 150 A CA 1.387 53.449 52.037 0.041 0.000 0.620 150 A CB -1.362 17.668 19.000 0.050 0.000 0.819 150 A HN 0.702 nan 8.150 nan 0.000 0.442 151 C N -1.092 118.234 119.300 0.044 0.000 2.500 151 C HA 0.071 4.531 4.460 -0.001 0.000 0.279 151 C C 2.428 177.347 174.990 -0.118 0.000 1.288 151 C CA 0.674 59.691 59.018 -0.002 0.000 1.710 151 C CB -1.124 26.530 27.740 -0.142 0.000 2.052 151 C HN 0.514 nan 8.230 nan 0.000 0.488 152 L N 0.217 121.318 121.223 -0.204 0.000 2.240 152 L HA 0.113 4.452 4.340 -0.001 0.000 0.211 152 L C 1.891 178.654 176.870 -0.177 0.000 1.106 152 L CA 1.693 56.402 54.840 -0.218 0.000 0.793 152 L CB -0.846 41.064 42.059 -0.248 0.000 0.927 152 L HN 0.363 nan 8.230 nan 0.000 0.446 153 I N -2.275 118.177 120.570 -0.197 0.000 3.443 153 I HA 0.421 4.590 4.170 -0.001 0.000 0.277 153 I C 0.692 176.733 176.117 -0.126 0.000 1.169 153 I CA 0.464 61.586 61.300 -0.297 0.000 1.419 153 I CB 0.614 38.203 38.000 -0.685 0.000 1.331 153 I HN 0.215 nan 8.210 nan 0.000 0.458 154 G N 1.265 110.050 108.800 -0.026 0.000 2.306 154 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.340 154 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.340 154 G C -0.113 174.830 174.900 0.073 0.000 1.630 154 G CA -0.376 44.749 45.100 0.042 0.000 0.937 154 G HN 0.004 nan 8.290 nan 0.000 0.693 155 K N 0.589 121.021 120.400 0.053 0.000 2.063 155 K HA -0.080 4.239 4.320 -0.001 0.000 0.208 155 K C 2.380 178.991 176.600 0.018 0.000 1.048 155 K CA 1.708 58.009 56.287 0.025 0.000 0.928 155 K CB -0.154 32.354 32.500 0.014 0.000 0.713 155 K HN 0.447 nan 8.250 nan 0.000 0.442 156 K N -0.136 120.291 120.400 0.045 0.000 2.113 156 K HA -0.213 4.107 4.320 -0.001 0.000 0.208 156 K C 2.033 178.673 176.600 0.068 0.000 1.047 156 K CA 1.686 58.002 56.287 0.048 0.000 0.928 156 K CB -0.227 32.316 32.500 0.071 0.000 0.716 156 K HN 0.170 nan 8.250 nan 0.000 0.446 157 F N 1.786 121.709 119.950 -0.046 0.000 2.128 157 F HA -0.107 4.419 4.527 -0.001 0.000 0.295 157 F C 2.487 178.224 175.800 -0.105 0.000 1.100 157 F CA 1.199 59.162 58.000 -0.062 0.000 1.260 157 F CB -0.317 38.616 39.000 -0.112 0.000 1.009 157 F HN -0.082 nan 8.300 nan 0.000 0.476 158 R N 0.900 121.311 120.500 -0.147 0.000 2.105 158 R HA -0.185 4.155 4.340 -0.001 0.000 0.239 158 R C 1.430 177.562 176.300 -0.281 0.000 1.135 158 R CA 2.127 58.080 56.100 -0.246 0.000 0.967 158 R CB -1.134 29.110 30.300 -0.093 0.000 0.861 158 R HN 0.261 nan 8.270 nan 0.000 0.442 159 D N 0.571 120.849 120.400 -0.203 0.000 2.309 159 D HA -0.116 4.523 4.640 -0.001 0.000 0.212 159 D C 1.354 177.542 176.300 -0.188 0.000 0.968 159 D CA 0.788 54.678 54.000 -0.184 0.000 0.882 159 D CB 0.039 40.771 40.800 -0.114 0.000 0.918 159 D HN 0.219 nan 8.370 nan 0.000 0.503 160 Q N -0.333 119.321 119.800 -0.243 0.000 2.319 160 Q HA 0.211 4.551 4.340 -0.001 0.000 0.202 160 Q C 0.385 176.243 176.000 -0.238 0.000 0.896 160 Q CA 0.010 55.688 55.803 -0.209 0.000 0.942 160 Q CB 0.728 29.354 28.738 -0.187 0.000 1.083 160 Q HN 0.330 nan 8.270 nan 0.000 0.510 161 L N 1.072 122.118 121.223 -0.295 0.000 2.334 161 L HA 0.432 4.771 4.340 -0.001 0.000 0.270 161 L C 0.061 176.922 176.870 -0.015 0.000 1.018 161 L CA -0.742 53.978 54.840 -0.201 0.000 0.811 161 L CB 1.323 43.152 42.059 -0.383 0.000 1.271 161 L HN 0.019 nan 8.230 nan 0.000 0.443 162 D N -0.275 120.203 120.400 0.130 0.000 2.921 162 D HA 0.149 4.788 4.640 -0.001 0.000 0.329 162 D C 0.819 177.268 176.300 0.249 0.000 1.293 162 D CA -0.082 54.038 54.000 0.200 0.000 0.964 162 D CB 0.572 41.427 40.800 0.093 0.000 1.435 162 D HN 0.450 nan 8.370 nan 0.000 0.548 163 G N -0.437 108.482 108.800 0.199 0.000 2.485 163 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.221 163 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.221 163 G C 1.490 176.464 174.900 0.123 0.000 1.115 163 G CA 1.639 46.821 45.100 0.136 0.000 0.751 163 G HN 0.493 nan 8.290 nan 0.000 0.567 164 R N 0.165 120.747 120.500 0.137 0.000 2.070 164 R HA -0.051 4.289 4.340 -0.001 0.000 0.232 164 R C 2.158 178.556 176.300 0.162 0.000 1.138 164 R CA 1.548 57.724 56.100 0.127 0.000 0.936 164 R CB -1.181 29.189 30.300 0.117 0.000 0.839 164 R HN 0.291 nan 8.270 nan 0.000 0.429 165 F N 0.897 120.887 119.950 0.066 0.000 2.120 165 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 165 F C 1.979 177.829 175.800 0.083 0.000 1.095 165 F CA 1.875 59.926 58.000 0.086 0.000 1.249 165 F CB -0.747 38.293 39.000 0.065 0.000 0.995 165 F HN 0.187 nan 8.300 nan 0.000 0.480 166 A N -0.017 122.983 122.820 0.301 0.000 1.877 166 A HA -0.228 4.092 4.320 -0.001 0.000 0.216 166 A C 2.147 179.806 177.584 0.125 0.000 1.186 166 A CA 1.940 54.068 52.037 0.153 0.000 0.620 166 A CB -0.812 18.186 19.000 -0.003 0.000 0.822 166 A HN 0.365 nan 8.150 nan 0.000 0.443 167 K N 0.225 120.685 120.400 0.099 0.000 2.057 167 K HA -0.021 4.298 4.320 -0.001 0.000 0.207 167 K C 1.697 178.366 176.600 0.115 0.000 1.049 167 K CA 1.535 57.883 56.287 0.102 0.000 0.931 167 K CB -0.624 31.920 32.500 0.073 0.000 0.714 167 K HN 0.476 nan 8.250 nan 0.000 0.440 168 L N -0.818 120.432 121.223 0.046 0.000 2.056 168 L HA -0.126 4.214 4.340 -0.001 0.000 0.207 168 L C 2.214 179.066 176.870 -0.031 0.000 1.078 168 L CA 1.290 56.120 54.840 -0.015 0.000 0.749 168 L CB -0.531 41.473 42.059 -0.091 0.000 0.901 168 L HN 0.182 nan 8.230 nan 0.000 0.433 169 Y N -0.140 120.055 120.300 -0.175 0.000 2.274 169 Y HA -0.321 4.229 4.550 -0.000 0.000 0.290 169 Y C 2.799 178.701 175.900 0.002 0.000 1.145 169 Y CA 1.874 59.888 58.100 -0.144 0.000 1.203 169 Y CB -0.105 38.226 38.460 -0.214 0.000 0.984 169 Y HN 0.223 nan 8.280 nan 0.000 0.533 170 H N -0.186 118.955 119.070 0.119 0.000 2.423 170 H HA -0.084 4.472 4.556 -0.001 0.000 0.297 170 H C 1.927 177.282 175.328 0.046 0.000 1.075 170 H CA 1.825 57.940 56.048 0.113 0.000 1.342 170 H CB 0.114 29.941 29.762 0.107 0.000 1.395 170 H HN 0.193 nan 8.280 nan 0.000 0.530 171 E N 0.004 120.199 120.200 -0.007 0.000 2.150 171 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 171 E C 2.194 178.737 176.600 -0.094 0.000 0.985 171 E CA 0.334 56.694 56.400 -0.067 0.000 0.814 171 E CB -0.218 29.475 29.700 -0.011 0.000 0.752 171 E HN 0.377 nan 8.360 nan 0.000 0.466 172 L N 1.475 122.630 121.223 -0.113 0.000 2.027 172 L HA -0.160 4.179 4.340 -0.001 0.000 0.206 172 L C 1.994 178.837 176.870 -0.046 0.000 1.074 172 L CA 1.724 56.490 54.840 -0.123 0.000 0.745 172 L CB -0.497 41.407 42.059 -0.259 0.000 0.898 172 L HN 0.099 nan 8.230 nan 0.000 0.433 173 E N -1.089 119.090 120.200 -0.034 0.000 2.204 173 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 173 E C 1.541 178.079 176.600 -0.103 0.000 0.989 173 E CA 0.435 56.833 56.400 -0.003 0.000 0.824 173 E CB -0.026 29.643 29.700 -0.052 0.000 0.756 173 E HN 0.275 nan 8.360 nan 0.000 0.477 174 R N 0.311 120.704 120.500 -0.179 0.000 2.319 174 R HA 0.065 4.405 4.340 -0.001 0.000 0.204 174 R C 1.176 177.437 176.300 -0.066 0.000 0.954 174 R CA 0.256 56.260 56.100 -0.160 0.000 1.066 174 R CB -0.052 30.122 30.300 -0.210 0.000 0.991 174 R HN 0.083 nan 8.270 nan 0.000 0.486 175 G N 0.732 109.518 108.800 -0.023 0.000 3.820 175 G HA2 0.012 3.971 3.960 -0.001 0.000 0.293 175 G HA3 0.012 3.971 3.960 -0.001 0.000 0.293 175 G C 0.266 175.236 174.900 0.116 0.000 1.152 175 G CA -0.124 45.030 45.100 0.090 0.000 0.921 175 G HN 0.208 nan 8.290 nan 0.000 0.544 176 T N -2.745 111.805 114.554 -0.007 0.000 3.374 176 T HA 0.214 4.564 4.350 -0.001 0.000 0.267 176 T C -0.343 174.225 174.700 -0.221 0.000 0.996 176 T CA -0.626 61.328 62.100 -0.243 0.000 0.977 176 T CB 0.689 69.234 68.868 -0.538 0.000 1.149 176 T HN 0.050 nan 8.240 nan 0.000 0.517 177 D N 2.302 122.736 120.400 0.056 0.000 2.424 177 D HA 0.132 4.772 4.640 -0.001 0.000 0.244 177 D C -1.469 174.907 176.300 0.127 0.000 1.134 177 D CA -1.791 52.224 54.000 0.026 0.000 0.881 177 D CB 1.819 42.556 40.800 -0.105 0.000 1.191 177 D HN 0.041 nan 8.370 nan 0.000 0.445 178 P HA -0.104 nan 4.420 nan 0.000 0.223 178 P C 1.370 178.869 177.300 0.332 0.000 1.140 178 P CA 0.720 64.009 63.100 0.315 0.000 0.783 178 P CB 0.138 32.024 31.700 0.310 0.000 0.759 179 L N -1.716 119.629 121.223 0.205 0.000 2.549 179 L HA -0.107 4.233 4.340 -0.001 0.000 0.229 179 L C 2.177 179.213 176.870 0.276 0.000 1.158 179 L CA 0.613 55.539 54.840 0.143 0.000 0.842 179 L CB -0.696 41.369 42.059 0.011 0.000 0.952 179 L HN 0.016 nan 8.230 nan 0.000 0.452 180 A N -0.874 122.157 122.820 0.352 0.000 2.067 180 A HA -0.199 4.121 4.320 -0.001 0.000 0.219 180 A C 1.762 179.316 177.584 -0.050 0.000 1.158 180 A CA 1.050 53.159 52.037 0.119 0.000 0.661 180 A CB -0.575 18.480 19.000 0.092 0.000 0.801 180 A HN 0.420 nan 8.150 nan 0.000 0.452 181 Y N -0.994 119.377 120.300 0.118 0.000 2.571 181 Y HA -0.025 4.524 4.550 -0.001 0.000 0.294 181 Y C 2.188 178.103 175.900 0.024 0.000 1.141 181 Y CA 0.896 59.029 58.100 0.055 0.000 1.308 181 Y CB -0.023 38.460 38.460 0.039 0.000 1.002 181 Y HN 0.146 nan 8.280 nan 0.000 0.551 182 V N -1.066 118.920 119.914 0.121 0.000 2.492 182 V HA -0.014 4.105 4.120 -0.001 0.000 0.241 182 V C 0.038 176.172 176.094 0.067 0.000 1.041 182 V CA 1.283 63.628 62.300 0.074 0.000 1.057 182 V CB 0.182 32.014 31.823 0.014 0.000 0.711 182 V HN 0.232 nan 8.190 nan 0.000 0.468 183 D N -2.166 118.271 120.400 0.062 0.000 2.625 183 D HA 0.152 4.792 4.640 -0.001 0.000 0.203 183 D C -2.670 173.591 176.300 -0.066 0.000 1.230 183 D CA -0.830 53.192 54.000 0.037 0.000 0.784 183 D CB 1.966 42.826 40.800 0.100 0.000 1.936 183 D HN -0.086 nan 8.370 nan 0.000 0.522 184 P HA 0.016 nan 4.420 nan 0.000 0.226 184 P C 0.231 176.889 177.300 -1.069 0.000 1.153 184 P CA 0.978 63.614 63.100 -0.773 0.000 0.777 184 P CB -0.018 31.200 31.700 -0.803 0.000 0.794 185 Y N -1.531 118.640 120.300 -0.216 0.000 2.720 185 Y HA 0.251 4.801 4.550 -0.001 0.000 0.277 185 Y C 0.906 176.865 175.900 0.098 0.000 1.144 185 Y CA -0.734 57.311 58.100 -0.091 0.000 1.221 185 Y CB -0.545 37.876 38.460 -0.065 0.000 1.163 185 Y HN -0.182 nan 8.280 nan 0.000 0.537 186 L N 3.898 125.323 121.223 0.337 0.000 2.506 186 L HA 0.040 4.379 4.340 -0.001 0.000 0.281 186 L C -1.483 175.570 176.870 0.305 0.000 1.228 186 L CA -1.280 53.755 54.840 0.324 0.000 0.850 186 L CB 0.508 42.756 42.059 0.316 0.000 1.110 186 L HN 0.035 nan 8.230 nan 0.000 0.496 187 P HA 0.100 nan 4.420 nan 0.000 0.228 187 P C -0.388 176.946 177.300 0.058 0.000 1.748 187 P CA 0.140 63.310 63.100 0.118 0.000 0.909 187 P CB -0.592 31.158 31.700 0.083 0.000 1.882 188 I N -3.924 116.657 120.570 0.017 0.000 2.793 188 I HA 0.377 4.546 4.170 -0.001 0.000 0.313 188 I C 1.567 177.629 176.117 -0.091 0.000 0.998 188 I CA -1.036 60.198 61.300 -0.109 0.000 1.140 188 I CB 1.501 39.309 38.000 -0.320 0.000 1.327 188 I HN -0.162 nan 8.210 nan 0.000 0.491 189 E N 1.929 122.072 120.200 -0.096 0.000 2.049 189 E HA -0.251 4.098 4.350 -0.001 0.000 0.198 189 E C 2.032 178.598 176.600 -0.058 0.000 1.007 189 E CA 2.595 58.961 56.400 -0.057 0.000 0.809 189 E CB 0.024 29.691 29.700 -0.055 0.000 0.749 189 E HN 0.901 nan 8.360 nan 0.000 0.450 190 S N -0.112 115.507 115.700 -0.136 0.000 2.383 190 S HA -0.162 4.307 4.470 -0.001 0.000 0.229 190 S C 1.812 176.459 174.600 0.078 0.000 1.030 190 S CA 1.080 59.227 58.200 -0.089 0.000 1.002 190 S CB -0.521 62.573 63.200 -0.178 0.000 0.829 190 S HN 0.230 nan 8.310 nan 0.000 0.467 191 F N 2.005 121.927 119.950 -0.046 0.000 2.367 191 F HA 0.320 4.846 4.527 -0.001 0.000 0.298 191 F C 2.621 178.401 175.800 -0.034 0.000 1.094 191 F CA -0.055 57.910 58.000 -0.057 0.000 1.409 191 F CB -0.852 38.112 39.000 -0.060 0.000 1.064 191 F HN 0.236 nan 8.300 nan 0.000 0.528 192 R N 0.605 121.202 120.500 0.162 0.000 2.062 192 R HA -0.071 4.268 4.340 -0.001 0.000 0.229 192 R C 2.363 178.701 176.300 0.063 0.000 1.128 192 R CA 1.040 57.198 56.100 0.096 0.000 0.960 192 R CB -0.047 30.291 30.300 0.063 0.000 0.855 192 R HN 0.122 nan 8.270 nan 0.000 0.432 193 R N 0.048 120.576 120.500 0.047 0.000 2.096 193 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 193 R C 2.503 178.815 176.300 0.021 0.000 1.127 193 R CA 1.583 57.700 56.100 0.027 0.000 0.968 193 R CB -0.414 29.894 30.300 0.013 0.000 0.861 193 R HN 0.245 nan 8.270 nan 0.000 0.440 194 R N 1.153 121.674 120.500 0.035 0.000 2.080 194 R HA -0.175 4.164 4.340 -0.001 0.000 0.236 194 R C 1.286 177.579 176.300 -0.012 0.000 1.137 194 R CA 2.206 58.308 56.100 0.004 0.000 0.943 194 R CB -0.216 30.098 30.300 0.023 0.000 0.846 194 R HN 0.135 nan 8.270 nan 0.000 0.431 195 D N 0.418 120.825 120.400 0.012 0.000 2.117 195 D HA -0.159 4.481 4.640 -0.001 0.000 0.197 195 D C 1.876 178.184 176.300 0.014 0.000 0.987 195 D CA 1.498 55.506 54.000 0.014 0.000 0.829 195 D CB -0.258 40.570 40.800 0.046 0.000 0.961 195 D HN 0.484 nan 8.370 nan 0.000 0.460 196 E N 0.763 120.974 120.200 0.019 0.000 2.077 196 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 196 E C 2.153 178.756 176.600 0.006 0.000 0.989 196 E CA 0.952 57.362 56.400 0.017 0.000 0.800 196 E CB -0.080 29.633 29.700 0.021 0.000 0.746 196 E HN 0.194 nan 8.360 nan 0.000 0.452 197 A N 1.768 124.585 122.820 -0.005 0.000 1.908 197 A HA -0.230 4.090 4.320 -0.001 0.000 0.218 197 A C 2.143 179.704 177.584 -0.038 0.000 1.181 197 A CA 1.648 53.671 52.037 -0.022 0.000 0.627 197 A CB -0.504 18.475 19.000 -0.035 0.000 0.818 197 A HN 0.086 nan 8.150 nan 0.000 0.445 198 R N -0.459 120.017 120.500 -0.040 0.000 2.096 198 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 198 R C 1.683 177.979 176.300 -0.006 0.000 1.127 198 R CA 1.529 57.607 56.100 -0.037 0.000 0.968 198 R CB -0.284 29.994 30.300 -0.035 0.000 0.861 198 R HN 0.506 nan 8.270 nan 0.000 0.440 199 N N -0.072 118.630 118.700 0.004 0.000 2.166 199 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 199 N C 1.581 177.104 175.510 0.023 0.000 1.019 199 N CA 1.528 54.588 53.050 0.017 0.000 0.856 199 N CB -0.514 37.985 38.487 0.020 0.000 0.993 199 N HN 0.406 nan 8.380 nan 0.000 0.426 200 G N 0.418 109.227 108.800 0.014 0.000 2.421 200 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.217 200 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.217 200 G C 1.645 176.563 174.900 0.030 0.000 1.143 200 G CA 0.103 45.216 45.100 0.023 0.000 0.784 200 G HN 0.222 nan 8.290 nan 0.000 0.541 201 L N 0.367 121.592 121.223 0.003 0.000 2.093 201 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 201 L C 2.923 179.856 176.870 0.104 0.000 1.085 201 L CA 0.352 55.200 54.840 0.013 0.000 0.755 201 L CB -0.329 41.695 42.059 -0.058 0.000 0.904 201 L HN 0.078 nan 8.230 nan 0.000 0.435 202 V N 0.040 119.999 119.914 0.075 0.000 2.358 202 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 202 V C 2.758 178.907 176.094 0.093 0.000 1.047 202 V CA 1.723 64.073 62.300 0.083 0.000 1.035 202 V CB -0.940 30.914 31.823 0.052 0.000 0.658 202 V HN 0.465 nan 8.190 nan 0.000 0.452 203 A N -0.492 122.374 122.820 0.078 0.000 1.933 203 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 203 A C 2.270 179.916 177.584 0.104 0.000 1.175 203 A CA 1.889 53.972 52.037 0.077 0.000 0.628 203 A CB -0.502 18.535 19.000 0.061 0.000 0.814 203 A HN 0.485 nan 8.150 nan 0.000 0.444 204 L N -0.601 120.701 121.223 0.132 0.000 2.005 204 L HA -0.142 4.197 4.340 -0.001 0.000 0.207 204 L C 2.535 179.538 176.870 0.221 0.000 1.072 204 L CA 1.352 56.300 54.840 0.179 0.000 0.744 204 L CB -0.215 41.986 42.059 0.236 0.000 0.895 204 L HN 0.251 nan 8.230 nan 0.000 0.433 205 V N -0.217 119.862 119.914 0.274 0.000 2.343 205 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 205 V C 2.685 178.902 176.094 0.205 0.000 1.051 205 V CA 1.628 64.120 62.300 0.320 0.000 1.036 205 V CB -0.899 31.112 31.823 0.313 0.000 0.654 205 V HN 0.551 nan 8.190 nan 0.000 0.451 206 A N -0.097 122.807 122.820 0.140 0.000 1.940 206 A HA -0.267 4.053 4.320 -0.001 0.000 0.219 206 A C 1.981 179.625 177.584 0.099 0.000 1.176 206 A CA 2.080 54.177 52.037 0.100 0.000 0.631 206 A CB -0.595 18.450 19.000 0.075 0.000 0.814 206 A HN 0.544 nan 8.150 nan 0.000 0.446 207 D N -0.093 120.370 120.400 0.104 0.000 2.144 207 D HA -0.088 4.552 4.640 -0.001 0.000 0.200 207 D C 1.840 178.197 176.300 0.094 0.000 0.978 207 D CA 1.057 55.109 54.000 0.087 0.000 0.833 207 D CB -0.277 40.571 40.800 0.079 0.000 0.961 207 D HN 0.552 nan 8.370 nan 0.000 0.470 208 I N 0.235 120.882 120.570 0.128 0.000 2.286 208 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 208 I C 2.495 178.698 176.117 0.143 0.000 1.104 208 I CA 0.641 62.025 61.300 0.139 0.000 1.397 208 I CB -0.141 37.981 38.000 0.204 0.000 1.072 208 I HN -0.065 nan 8.210 nan 0.000 0.417 209 M N 0.385 120.075 119.600 0.150 0.000 2.108 209 M HA -0.217 4.263 4.480 -0.001 0.000 0.261 209 M C 1.941 178.291 176.300 0.084 0.000 1.066 209 M CA 1.758 57.127 55.300 0.116 0.000 1.107 209 M CB -0.476 32.181 32.600 0.094 0.000 1.356 209 M HN 0.271 nan 8.290 nan 0.000 0.406 210 N N 0.137 118.881 118.700 0.074 0.000 2.331 210 N HA -0.057 4.683 4.740 -0.001 0.000 0.180 210 N C 1.710 177.252 175.510 0.053 0.000 1.019 210 N CA 1.402 54.486 53.050 0.057 0.000 0.881 210 N CB -0.482 38.035 38.487 0.050 0.000 0.972 210 N HN 0.432 nan 8.380 nan 0.000 0.435 211 G N 1.326 110.162 108.800 0.059 0.000 2.402 211 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.216 211 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.216 211 G C 1.724 176.655 174.900 0.051 0.000 1.162 211 G CA 0.232 45.362 45.100 0.051 0.000 0.777 211 G HN 0.272 nan 8.290 nan 0.000 0.539 212 R N -0.178 120.360 120.500 0.064 0.000 2.090 212 R HA 0.129 4.468 4.340 -0.001 0.000 0.228 212 R C 2.529 178.859 176.300 0.050 0.000 1.110 212 R CA 0.813 56.950 56.100 0.062 0.000 0.973 212 R CB -0.344 30.004 30.300 0.080 0.000 0.869 212 R HN 0.374 nan 8.270 nan 0.000 0.440 213 I N 0.587 121.187 120.570 0.049 0.000 2.315 213 I HA -0.177 3.992 4.170 -0.001 0.000 0.248 213 I C 2.409 178.546 176.117 0.032 0.000 1.117 213 I CA 1.022 62.345 61.300 0.039 0.000 1.404 213 I CB -0.278 37.745 38.000 0.038 0.000 1.071 213 I HN 0.143 nan 8.210 nan 0.000 0.419 214 A N -0.170 122.669 122.820 0.033 0.000 2.119 214 A HA -0.072 4.248 4.320 -0.001 0.000 0.216 214 A C 1.292 178.891 177.584 0.025 0.000 1.152 214 A CA 0.953 53.006 52.037 0.027 0.000 0.708 214 A CB -0.195 18.822 19.000 0.027 0.000 0.805 214 A HN 0.419 nan 8.150 nan 0.000 0.460 215 N N 0.335 119.052 118.700 0.028 0.000 2.752 215 N HA 0.284 5.023 4.740 -0.001 0.000 0.260 215 N C -3.075 172.452 175.510 0.027 0.000 1.562 215 N CA -1.043 52.023 53.050 0.025 0.000 0.788 215 N CB 0.545 39.047 38.487 0.025 0.000 1.192 215 N HN 0.021 nan 8.380 nan 0.000 0.503 222 D N 3.170 123.583 120.400 0.021 0.000 2.277 222 D HA 0.625 5.264 4.640 -0.001 0.000 0.249 222 D C 0.097 176.416 176.300 0.032 0.000 1.134 222 D CA -0.398 53.616 54.000 0.024 0.000 0.863 222 D CB 0.370 41.183 40.800 0.022 0.000 1.143 222 D HN 0.529 nan 8.370 nan 0.000 0.458 223 R N 1.642 122.162 120.500 0.032 0.000 2.540 223 R HA 0.639 4.978 4.340 -0.001 0.000 0.287 223 R C -0.787 175.539 176.300 0.043 0.000 0.980 223 R CA -0.649 55.475 56.100 0.040 0.000 0.966 223 R CB 1.401 31.723 30.300 0.036 0.000 1.106 223 R HN 0.865 nan 8.270 nan 0.000 0.480 224 D N 0.021 120.454 120.400 0.055 0.000 2.687 224 D HA 0.148 4.787 4.640 -0.001 0.000 0.264 224 D C 0.741 177.067 176.300 0.043 0.000 1.091 224 D CA -0.877 53.151 54.000 0.046 0.000 1.123 224 D CB 0.350 41.187 40.800 0.061 0.000 1.407 224 D HN 0.210 nan 8.370 nan 0.000 0.591 225 M N -0.283 119.323 119.600 0.010 0.000 2.358 225 M HA 0.070 4.550 4.480 -0.001 0.000 0.264 225 M C 1.375 177.754 176.300 0.131 0.000 1.064 225 M CA 1.027 56.349 55.300 0.037 0.000 1.093 225 M CB -0.689 31.895 32.600 -0.027 0.000 1.401 225 M HN 0.531 nan 8.290 nan 0.000 0.440 226 L N -0.248 121.064 121.223 0.148 0.000 2.072 226 L HA -0.125 4.215 4.340 -0.001 0.000 0.205 226 L C 1.716 178.660 176.870 0.123 0.000 1.079 226 L CA 1.897 56.873 54.840 0.226 0.000 0.752 226 L CB -0.956 41.247 42.059 0.240 0.000 0.906 226 L HN 0.247 nan 8.230 nan 0.000 0.436 227 D N -0.622 119.841 120.400 0.105 0.000 2.104 227 D HA -0.176 4.463 4.640 -0.001 0.000 0.194 227 D C 2.307 178.650 176.300 0.072 0.000 0.994 227 D CA 1.795 55.844 54.000 0.081 0.000 0.830 227 D CB -0.261 40.580 40.800 0.069 0.000 0.959 227 D HN 0.283 nan 8.370 nan 0.000 0.452 228 V N 1.444 121.401 119.914 0.071 0.000 2.255 228 V HA -0.235 3.884 4.120 -0.001 0.000 0.247 228 V C 2.715 178.863 176.094 0.090 0.000 1.051 228 V CA 1.265 63.607 62.300 0.069 0.000 1.018 228 V CB -0.555 31.306 31.823 0.063 0.000 0.641 228 V HN 0.200 nan 8.190 nan 0.000 0.445 229 L N -0.822 120.454 121.223 0.088 0.000 2.131 229 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 229 L C 2.355 179.319 176.870 0.158 0.000 1.092 229 L CA 1.502 56.413 54.840 0.120 0.000 0.759 229 L CB -0.480 41.544 42.059 -0.058 0.000 0.903 229 L HN 0.291 nan 8.230 nan 0.000 0.435 230 I N -0.051 120.571 120.570 0.088 0.000 2.315 230 I HA -0.227 3.942 4.170 -0.001 0.000 0.248 230 I C 2.649 178.804 176.117 0.063 0.000 1.117 230 I CA 1.064 62.410 61.300 0.076 0.000 1.404 230 I CB -0.310 37.727 38.000 0.062 0.000 1.071 230 I HN 0.187 nan 8.210 nan 0.000 0.419 231 A N 0.661 123.517 122.820 0.060 0.000 2.119 231 A HA 0.022 4.341 4.320 -0.001 0.000 0.216 231 A C 1.239 178.837 177.584 0.023 0.000 1.152 231 A CA 0.289 52.348 52.037 0.038 0.000 0.708 231 A CB -0.797 18.225 19.000 0.037 0.000 0.805 231 A HN 0.264 nan 8.150 nan 0.000 0.460 232 V N -0.793 119.144 119.914 0.038 0.000 2.493 232 V HA 0.288 4.407 4.120 -0.001 0.000 0.292 232 V C -0.378 175.663 176.094 -0.088 0.000 1.016 232 V CA -0.690 61.603 62.300 -0.011 0.000 1.097 232 V CB 0.017 31.855 31.823 0.024 0.000 0.947 232 V HN 0.211 nan 8.190 nan 0.000 0.479 233 K N 3.956 124.306 120.400 -0.084 0.000 2.123 233 K HA 0.778 5.098 4.320 -0.001 0.000 0.259 233 K C 0.238 176.761 176.600 -0.127 0.000 0.960 233 K CA -0.098 56.132 56.287 -0.095 0.000 0.872 233 K CB 2.038 34.505 32.500 -0.056 0.000 1.079 233 K HN 1.000 nan 8.250 nan 0.000 0.440 234 A N 1.573 124.314 122.820 -0.132 0.000 2.287 234 A HA 0.405 4.725 4.320 -0.001 0.000 0.273 234 A C 1.357 178.891 177.584 -0.083 0.000 1.091 234 A CA 0.490 52.449 52.037 -0.129 0.000 0.817 234 A CB -0.041 18.884 19.000 -0.126 0.000 1.069 234 A HN 0.798 nan 8.150 nan 0.000 0.492 235 E N -0.391 119.767 120.200 -0.071 0.000 2.265 235 E HA -0.149 4.201 4.350 -0.001 0.000 0.196 235 E C 1.733 178.308 176.600 -0.042 0.000 0.996 235 E CA 2.118 58.488 56.400 -0.049 0.000 0.832 235 E CB -1.340 28.334 29.700 -0.042 0.000 0.756 235 E HN 1.085 nan 8.360 nan 0.000 0.491 236 T N -4.413 110.113 114.554 -0.046 0.000 2.995 236 T HA 0.308 4.658 4.350 -0.001 0.000 0.269 236 T C 2.019 176.699 174.700 -0.034 0.000 1.091 236 T CA 1.264 63.342 62.100 -0.037 0.000 1.128 236 T CB 0.169 69.014 68.868 -0.038 0.000 0.891 236 T HN 1.460 nan 8.240 nan 0.000 0.492 237 G N 0.215 108.991 108.800 -0.041 0.000 2.213 237 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.226 237 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.226 237 G C 0.254 175.132 174.900 -0.038 0.000 0.992 237 G CA 0.190 45.270 45.100 -0.035 0.000 0.632 237 G HN 0.853 nan 8.290 nan 0.000 0.511 238 T N 2.111 116.638 114.554 -0.045 0.000 2.882 238 T HA 0.577 4.927 4.350 -0.001 0.000 0.287 238 T C -2.341 172.320 174.700 -0.065 0.000 1.014 238 T CA -1.141 60.932 62.100 -0.045 0.000 1.049 238 T CB 1.080 69.923 68.868 -0.042 0.000 1.001 238 T HN 0.033 nan 8.240 nan 0.000 0.525 239 P HA 0.216 nan 4.420 nan 0.000 0.269 239 P C 0.268 177.484 177.300 -0.139 0.000 1.209 239 P CA -0.136 62.919 63.100 -0.075 0.000 0.776 239 P CB 0.454 32.135 31.700 -0.032 0.000 0.876 240 R N 1.778 122.118 120.500 -0.267 0.000 2.127 240 R HA 0.104 4.444 4.340 -0.001 0.000 0.217 240 R C -0.082 175.911 176.300 -0.511 0.000 1.074 240 R CA 0.794 56.606 56.100 -0.479 0.000 0.991 240 R CB 0.066 29.884 30.300 -0.803 0.000 0.895 240 R HN 0.345 nan 8.270 nan 0.000 0.450 241 F N 0.462 120.387 119.950 -0.041 0.000 2.469 241 F HA 0.301 4.828 4.527 -0.001 0.000 0.332 241 F C 0.538 176.306 175.800 -0.052 0.000 1.103 241 F CA -1.080 56.886 58.000 -0.055 0.000 0.979 241 F CB 1.767 40.718 39.000 -0.082 0.000 1.137 241 F HN -0.073 nan 8.300 nan 0.000 0.463 242 S N 1.129 116.927 115.700 0.163 0.000 2.707 242 S HA 0.696 5.165 4.470 -0.001 0.000 0.276 242 S C 1.051 175.675 174.600 0.039 0.000 1.179 242 S CA -0.220 58.024 58.200 0.073 0.000 0.992 242 S CB 1.365 64.596 63.200 0.052 0.000 1.030 242 S HN 0.759 nan 8.310 nan 0.000 0.554 243 A N 0.289 123.123 122.820 0.024 0.000 1.933 243 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 243 A C 1.894 179.473 177.584 -0.007 0.000 1.175 243 A CA 1.715 53.757 52.037 0.007 0.000 0.628 243 A CB -1.233 17.788 19.000 0.035 0.000 0.814 243 A HN 0.984 nan 8.150 nan 0.000 0.444 244 D N -0.543 119.863 120.400 0.010 0.000 2.104 244 D HA -0.171 4.469 4.640 -0.001 0.000 0.194 244 D C 1.835 178.124 176.300 -0.019 0.000 0.994 244 D CA 1.565 55.570 54.000 0.008 0.000 0.830 244 D CB -0.059 40.752 40.800 0.019 0.000 0.959 244 D HN 0.627 nan 8.370 nan 0.000 0.452 245 E N 0.052 120.241 120.200 -0.019 0.000 2.106 245 E HA -0.111 4.239 4.350 -0.001 0.000 0.192 245 E C 2.444 178.906 176.600 -0.230 0.000 0.984 245 E CA 0.357 56.717 56.400 -0.067 0.000 0.806 245 E CB 0.128 29.860 29.700 0.053 0.000 0.750 245 E HN 0.418 nan 8.360 nan 0.000 0.458 246 I N 0.932 121.344 120.570 -0.263 0.000 2.252 246 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 246 I C 2.405 178.202 176.117 -0.534 0.000 1.102 246 I CA 1.063 62.049 61.300 -0.522 0.000 1.385 246 I CB -0.352 37.343 38.000 -0.508 0.000 1.064 246 I HN 0.079 nan 8.210 nan 0.000 0.414 247 T N 0.568 114.984 114.554 -0.230 0.000 2.684 247 T HA -0.164 4.185 4.350 -0.001 0.000 0.267 247 T C 1.921 176.651 174.700 0.051 0.000 1.036 247 T CA 1.627 63.724 62.100 -0.005 0.000 1.148 247 T CB -0.855 68.058 68.868 0.076 0.000 0.863 247 T HN 0.586 nan 8.240 nan 0.000 0.436 248 G N 1.284 110.076 108.800 -0.013 0.000 2.459 248 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 248 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 248 G C 1.589 176.469 174.900 -0.033 0.000 1.183 248 G CA 0.991 46.102 45.100 0.019 0.000 0.776 248 G HN 0.413 nan 8.290 nan 0.000 0.552 249 M N -0.401 119.106 119.600 -0.156 0.000 2.108 249 M HA -0.011 4.469 4.480 -0.001 0.000 0.261 249 M C 2.399 178.735 176.300 0.060 0.000 1.066 249 M CA 1.175 56.370 55.300 -0.174 0.000 1.107 249 M CB -0.389 32.018 32.600 -0.322 0.000 1.356 249 M HN 0.144 nan 8.290 nan 0.000 0.406 250 F N 0.676 120.585 119.950 -0.068 0.000 2.134 250 F HA -0.142 4.385 4.527 -0.001 0.000 0.299 250 F C 2.286 178.198 175.800 0.186 0.000 1.097 250 F CA 1.054 59.063 58.000 0.015 0.000 1.264 250 F CB -1.081 37.941 39.000 0.038 0.000 1.001 250 F HN 0.092 nan 8.300 nan 0.000 0.479 251 I N -0.995 119.854 120.570 0.465 0.000 2.208 251 I HA -0.346 3.823 4.170 -0.001 0.000 0.245 251 I C 2.692 179.130 176.117 0.535 0.000 1.097 251 I CA 1.550 63.189 61.300 0.565 0.000 1.363 251 I CB -0.586 37.647 38.000 0.388 0.000 1.051 251 I HN 0.105 nan 8.210 nan 0.000 0.413 252 S N 0.889 116.696 115.700 0.178 0.000 2.348 252 S HA -0.212 4.257 4.470 -0.001 0.000 0.221 252 S C 2.148 176.795 174.600 0.079 0.000 1.033 252 S CA 1.467 59.548 58.200 -0.198 0.000 1.010 252 S CB -0.184 62.589 63.200 -0.712 0.000 0.891 252 S HN 0.294 nan 8.310 nan 0.000 0.442 253 M N 0.159 119.807 119.600 0.081 0.000 2.202 253 M HA -0.088 4.392 4.480 -0.001 0.000 0.262 253 M C 2.037 178.400 176.300 0.105 0.000 1.063 253 M CA 1.530 56.867 55.300 0.061 0.000 1.097 253 M CB -0.363 32.243 32.600 0.010 0.000 1.382 253 M HN 0.429 nan 8.290 nan 0.000 0.413 254 M N -2.346 117.385 119.600 0.218 0.000 2.461 254 M HA 0.068 4.547 4.480 -0.001 0.000 0.255 254 M C 1.741 178.261 176.300 0.368 0.000 1.137 254 M CA 0.339 55.760 55.300 0.201 0.000 1.086 254 M CB -0.078 32.569 32.600 0.077 0.000 1.356 254 M HN 0.089 nan 8.290 nan 0.000 0.487 255 F N 1.999 122.219 119.950 0.449 0.000 2.065 255 F HA -0.250 4.277 4.527 -0.001 0.000 0.298 255 F C 2.486 178.547 175.800 0.436 0.000 1.112 255 F CA 2.132 60.452 58.000 0.532 0.000 1.212 255 F CB -0.091 39.227 39.000 0.531 0.000 0.975 255 F HN 0.118 nan 8.300 nan 0.000 0.476 256 A N -0.594 122.508 122.820 0.470 0.000 2.015 256 A HA -0.016 4.303 4.320 -0.001 0.000 0.219 256 A C 2.271 179.928 177.584 0.121 0.000 1.163 256 A CA 1.579 53.796 52.037 0.300 0.000 0.646 256 A CB -1.483 17.675 19.000 0.263 0.000 0.806 256 A HN 0.493 nan 8.150 nan 0.000 0.448 257 G N -2.729 106.147 108.800 0.126 0.000 2.887 257 G HA2 0.039 3.998 3.960 -0.001 0.000 0.211 257 G HA3 0.039 3.998 3.960 -0.001 0.000 0.211 257 G C 1.337 176.272 174.900 0.057 0.000 1.152 257 G CA 0.676 45.822 45.100 0.077 0.000 0.769 257 G HN 0.665 nan 8.290 nan 0.000 0.541 258 H N 1.488 120.552 119.070 -0.010 0.000 2.266 258 H HA -0.126 4.429 4.556 -0.001 0.000 0.308 258 H C 2.478 177.795 175.328 -0.019 0.000 1.057 258 H CA 1.806 57.840 56.048 -0.023 0.000 1.330 258 H CB -0.272 29.471 29.762 -0.031 0.000 1.400 258 H HN 0.561 nan 8.280 nan 0.000 0.503 259 H N -0.082 118.880 119.070 -0.181 0.000 2.489 259 H HA -0.068 4.488 4.556 -0.001 0.000 0.293 259 H C 2.073 177.332 175.328 -0.115 0.000 1.066 259 H CA 1.959 57.898 56.048 -0.183 0.000 1.305 259 H CB -0.479 29.227 29.762 -0.094 0.000 1.386 259 H HN 0.364 nan 8.280 nan 0.000 0.551 260 T N -2.453 111.728 114.554 -0.621 0.000 2.770 260 T HA -0.070 4.280 4.350 -0.001 0.000 0.263 260 T C 2.185 176.772 174.700 -0.189 0.000 1.039 260 T CA 1.008 62.862 62.100 -0.410 0.000 1.142 260 T CB -0.583 68.080 68.868 -0.342 0.000 0.868 260 T HN 0.352 nan 8.240 nan 0.000 0.435 261 S N 1.440 117.048 115.700 -0.155 0.000 2.357 261 S HA -0.055 4.415 4.470 -0.001 0.000 0.221 261 S C 2.397 176.908 174.600 -0.149 0.000 1.031 261 S CA 1.146 59.285 58.200 -0.102 0.000 0.982 261 S CB -0.681 62.492 63.200 -0.046 0.000 0.853 261 S HN 0.630 nan 8.310 nan 0.000 0.458 262 S N 1.286 116.865 115.700 -0.200 0.000 2.353 262 S HA -0.116 4.353 4.470 -0.001 0.000 0.222 262 S C 2.093 176.623 174.600 -0.116 0.000 1.035 262 S CA 1.776 59.879 58.200 -0.161 0.000 1.025 262 S CB -0.985 62.078 63.200 -0.228 0.000 0.902 262 S HN 0.582 nan 8.310 nan 0.000 0.440 263 G N 0.180 108.948 108.800 -0.054 0.000 2.433 263 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.216 263 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.216 263 G C 1.551 176.504 174.900 0.088 0.000 1.186 263 G CA 1.533 46.673 45.100 0.067 0.000 0.779 263 G HN 0.572 nan 8.290 nan 0.000 0.543 264 T N 1.705 116.262 114.554 0.004 0.000 2.720 264 T HA -0.008 4.341 4.350 -0.001 0.000 0.268 264 T C 2.791 177.448 174.700 -0.072 0.000 1.037 264 T CA 1.594 63.694 62.100 0.000 0.000 1.144 264 T CB -0.379 68.459 68.868 -0.051 0.000 0.864 264 T HN 0.388 nan 8.240 nan 0.000 0.444 265 A N 1.406 124.090 122.820 -0.228 0.000 1.877 265 A HA -0.092 4.228 4.320 -0.001 0.000 0.216 265 A C 2.637 179.851 177.584 -0.617 0.000 1.186 265 A CA 1.958 53.730 52.037 -0.443 0.000 0.620 265 A CB -0.978 17.445 19.000 -0.963 0.000 0.822 265 A HN 0.433 nan 8.150 nan 0.000 0.443 266 S N -1.290 114.044 115.700 -0.610 0.000 2.353 266 S HA -0.234 4.236 4.470 -0.001 0.000 0.222 266 S C 1.557 175.979 174.600 -0.297 0.000 1.035 266 S CA 1.615 59.640 58.200 -0.291 0.000 1.025 266 S CB -0.551 62.547 63.200 -0.169 0.000 0.902 266 S HN 0.775 nan 8.310 nan 0.000 0.440 267 W N 1.609 122.805 121.300 -0.173 0.000 2.525 267 W HA -0.012 4.648 4.660 -0.001 0.000 0.259 267 W C 2.529 178.934 176.519 -0.192 0.000 1.253 267 W CA 0.796 58.011 57.345 -0.216 0.000 1.262 267 W CB -0.634 28.675 29.460 -0.251 0.000 1.122 267 W HN 0.225 nan 8.180 nan 0.000 0.607 268 T N 0.473 115.007 114.554 -0.032 0.000 2.812 268 T HA -0.157 4.193 4.350 -0.001 0.000 0.264 268 T C 1.718 176.252 174.700 -0.277 0.000 1.042 268 T CA 1.017 63.001 62.100 -0.194 0.000 1.140 268 T CB -0.425 68.166 68.868 -0.462 0.000 0.870 268 T HN -0.037 nan 8.240 nan 0.000 0.445 269 L N 0.797 121.920 121.223 -0.167 0.000 2.156 269 L HA 0.197 4.536 4.340 -0.001 0.000 0.208 269 L C 2.014 178.734 176.870 -0.250 0.000 1.095 269 L CA 1.278 56.025 54.840 -0.155 0.000 0.770 269 L CB -0.465 41.611 42.059 0.029 0.000 0.914 269 L HN 0.252 nan 8.230 nan 0.000 0.439 270 I N -0.780 119.624 120.570 -0.277 0.000 2.202 270 I HA -0.219 3.950 4.170 -0.001 0.000 0.242 270 I C 2.342 178.290 176.117 -0.282 0.000 1.091 270 I CA 0.977 62.044 61.300 -0.389 0.000 1.368 270 I CB -0.314 37.362 38.000 -0.541 0.000 1.058 270 I HN 0.258 nan 8.210 nan 0.000 0.410 271 E N 0.692 120.780 120.200 -0.186 0.000 2.072 271 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 271 E C 2.371 178.768 176.600 -0.338 0.000 0.985 271 E CA 1.064 57.304 56.400 -0.266 0.000 0.801 271 E CB -0.306 29.209 29.700 -0.308 0.000 0.750 271 E HN 0.481 nan 8.360 nan 0.000 0.452 272 L N 0.239 121.282 121.223 -0.300 0.000 2.042 272 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 272 L C 2.662 179.437 176.870 -0.158 0.000 1.076 272 L CA 1.154 55.830 54.840 -0.274 0.000 0.749 272 L CB -0.355 41.379 42.059 -0.543 0.000 0.893 272 L HN 0.153 nan 8.230 nan 0.000 0.432 273 M N -1.259 118.226 119.600 -0.190 0.000 2.229 273 M HA -0.165 4.314 4.480 -0.001 0.000 0.264 273 M C 2.300 178.536 176.300 -0.108 0.000 1.063 273 M CA 1.479 56.756 55.300 -0.037 0.000 1.114 273 M CB -0.303 32.237 32.600 -0.101 0.000 1.387 273 M HN 0.136 nan 8.290 nan 0.000 0.420 274 R N -0.688 119.655 120.500 -0.262 0.000 2.189 274 R HA -0.023 4.317 4.340 -0.001 0.000 0.218 274 R C 0.141 176.068 176.300 -0.621 0.000 1.074 274 R CA 0.707 56.546 56.100 -0.435 0.000 0.991 274 R CB 0.125 30.099 30.300 -0.543 0.000 0.883 274 R HN 0.401 nan 8.270 nan 0.000 0.457 275 H N -0.472 118.546 119.070 -0.087 0.000 2.423 275 H HA 0.177 4.732 4.556 -0.001 0.000 0.237 275 H C 0.221 175.614 175.328 0.107 0.000 1.391 275 H CA -0.291 55.765 56.048 0.012 0.000 1.453 275 H CB 0.808 30.565 29.762 -0.009 0.000 1.484 275 H HN 0.025 nan 8.280 nan 0.000 0.505 276 R N 1.435 122.044 120.500 0.181 0.000 2.211 276 R HA -0.141 4.199 4.340 -0.001 0.000 0.240 276 R C 1.463 177.889 176.300 0.210 0.000 1.144 276 R CA 1.803 58.029 56.100 0.209 0.000 0.992 276 R CB 0.250 30.616 30.300 0.110 0.000 0.869 276 R HN 0.619 nan 8.270 nan 0.000 0.462 277 D N -0.434 120.090 120.400 0.206 0.000 2.097 277 D HA -0.177 4.462 4.640 -0.001 0.000 0.195 277 D C 1.603 178.028 176.300 0.209 0.000 0.989 277 D CA 1.371 55.479 54.000 0.179 0.000 0.827 277 D CB -0.293 40.608 40.800 0.169 0.000 0.966 277 D HN 0.270 nan 8.370 nan 0.000 0.456 278 A N 0.152 123.140 122.820 0.279 0.000 1.898 278 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 278 A C 2.241 179.987 177.584 0.270 0.000 1.181 278 A CA 1.064 53.270 52.037 0.282 0.000 0.620 278 A CB -1.158 18.102 19.000 0.434 0.000 0.819 278 A HN 0.270 nan 8.150 nan 0.000 0.442 279 Y N 0.735 121.110 120.300 0.125 0.000 2.070 279 Y HA -0.216 4.334 4.550 -0.001 0.000 0.280 279 Y C 2.843 178.798 175.900 0.092 0.000 1.148 279 Y CA 1.009 59.166 58.100 0.096 0.000 1.125 279 Y CB -1.101 37.411 38.460 0.086 0.000 0.975 279 Y HN 0.330 nan 8.280 nan 0.000 0.492 280 A N 0.150 123.126 122.820 0.260 0.000 1.892 280 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 280 A C 2.534 180.200 177.584 0.137 0.000 1.188 280 A CA 2.698 54.811 52.037 0.126 0.000 0.631 280 A CB -1.538 17.509 19.000 0.077 0.000 0.822 280 A HN 0.568 nan 8.150 nan 0.000 0.447 281 A N -0.832 122.074 122.820 0.143 0.000 1.877 281 A HA -0.019 4.300 4.320 -0.001 0.000 0.216 281 A C 2.274 179.929 177.584 0.120 0.000 1.186 281 A CA 1.862 53.967 52.037 0.113 0.000 0.620 281 A CB -1.086 17.975 19.000 0.102 0.000 0.822 281 A HN 0.432 nan 8.150 nan 0.000 0.443 282 V N 0.661 120.665 119.914 0.150 0.000 2.287 282 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 282 V C 2.488 178.674 176.094 0.155 0.000 1.053 282 V CA 1.964 64.346 62.300 0.136 0.000 1.027 282 V CB -0.634 31.262 31.823 0.122 0.000 0.646 282 V HN 0.525 nan 8.190 nan 0.000 0.447 283 I N 0.223 120.915 120.570 0.205 0.000 2.127 283 I HA -0.225 3.944 4.170 -0.001 0.000 0.241 283 I C 2.354 178.541 176.117 0.117 0.000 1.075 283 I CA 1.808 63.215 61.300 0.178 0.000 1.334 283 I CB -1.496 36.608 38.000 0.174 0.000 1.040 283 I HN 0.377 nan 8.210 nan 0.000 0.405 284 D N 0.428 120.886 120.400 0.096 0.000 2.123 284 D HA -0.239 4.401 4.640 -0.001 0.000 0.196 284 D C 2.090 178.434 176.300 0.072 0.000 0.992 284 D CA 1.285 55.328 54.000 0.071 0.000 0.833 284 D CB -0.191 40.644 40.800 0.059 0.000 0.954 284 D HN 0.496 nan 8.370 nan 0.000 0.455 285 E N 0.252 120.499 120.200 0.078 0.000 2.106 285 E HA -0.106 4.244 4.350 -0.001 0.000 0.192 285 E C 2.345 178.997 176.600 0.087 0.000 0.984 285 E CA 0.355 56.796 56.400 0.068 0.000 0.806 285 E CB 0.014 29.751 29.700 0.062 0.000 0.750 285 E HN 0.208 nan 8.360 nan 0.000 0.458 286 L N 0.875 122.172 121.223 0.122 0.000 2.027 286 L HA -0.184 4.156 4.340 -0.001 0.000 0.206 286 L C 2.124 179.120 176.870 0.210 0.000 1.074 286 L CA 1.164 56.119 54.840 0.191 0.000 0.745 286 L CB -0.383 41.767 42.059 0.151 0.000 0.898 286 L HN 0.135 nan 8.230 nan 0.000 0.433 287 D N -0.175 120.300 120.400 0.126 0.000 2.149 287 D HA -0.223 4.417 4.640 -0.001 0.000 0.198 287 D C 1.971 178.335 176.300 0.106 0.000 0.990 287 D CA 1.449 55.513 54.000 0.108 0.000 0.839 287 D CB -0.065 40.776 40.800 0.069 0.000 0.948 287 D HN 0.401 nan 8.370 nan 0.000 0.460 288 E N 0.665 120.912 120.200 0.079 0.000 2.047 288 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 288 E C 1.911 178.526 176.600 0.025 0.000 0.987 288 E CA 0.833 57.263 56.400 0.049 0.000 0.799 288 E CB -0.573 29.149 29.700 0.038 0.000 0.752 288 E HN 0.075 nan 8.360 nan 0.000 0.449 289 L N -0.146 121.072 121.223 -0.008 0.000 2.017 289 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 289 L C 2.273 178.949 176.870 -0.324 0.000 1.073 289 L CA 1.704 56.424 54.840 -0.200 0.000 0.745 289 L CB -1.042 40.813 42.059 -0.340 0.000 0.894 289 L HN 0.250 nan 8.230 nan 0.000 0.432 290 Y N -0.490 119.711 120.300 -0.165 0.000 2.616 290 Y HA 0.003 4.552 4.550 -0.001 0.000 0.296 290 Y C 2.296 178.225 175.900 0.048 0.000 1.154 290 Y CA 0.731 58.817 58.100 -0.023 0.000 1.325 290 Y CB -0.820 37.650 38.460 0.017 0.000 1.007 290 Y HN 0.173 nan 8.280 nan 0.000 0.542 291 G N 0.050 108.921 108.800 0.119 0.000 2.586 291 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.215 291 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.215 291 G C 0.997 175.937 174.900 0.067 0.000 1.128 291 G CA 1.035 46.187 45.100 0.087 0.000 0.774 291 G HN 0.490 nan 8.290 nan 0.000 0.543 292 D N -0.977 119.468 120.400 0.074 0.000 2.328 292 D HA 0.186 4.825 4.640 -0.001 0.000 0.221 292 D C 1.759 178.076 176.300 0.028 0.000 1.072 292 D CA 0.416 54.444 54.000 0.047 0.000 0.850 292 D CB -0.496 40.337 40.800 0.055 0.000 0.922 292 D HN 0.338 nan 8.370 nan 0.000 0.516 293 G N 0.553 109.397 108.800 0.073 0.000 2.220 293 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.269 293 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.269 293 G C 0.534 175.455 174.900 0.034 0.000 0.977 293 G CA 0.275 45.410 45.100 0.058 0.000 0.634 293 G HN 0.470 nan 8.290 nan 0.000 0.539 294 R N 0.974 121.462 120.500 -0.019 0.000 2.774 294 R HA 0.465 4.805 4.340 -0.001 0.000 0.269 294 R C 1.264 177.580 176.300 0.027 0.000 1.068 294 R CA 0.457 56.450 56.100 -0.178 0.000 1.180 294 R CB 0.392 30.308 30.300 -0.641 0.000 1.077 294 R HN 0.548 nan 8.270 nan 0.000 0.513 295 S N -0.491 115.220 115.700 0.020 0.000 2.645 295 S HA 0.075 4.545 4.470 -0.001 0.000 0.266 295 S C 1.417 176.198 174.600 0.301 0.000 1.258 295 S CA -0.996 57.315 58.200 0.184 0.000 0.990 295 S CB 1.222 64.493 63.200 0.119 0.000 0.967 295 S HN 0.336 nan 8.310 nan 0.000 0.556 296 V N 1.760 121.908 119.914 0.391 0.000 2.407 296 V HA -0.172 3.947 4.120 -0.001 0.000 0.248 296 V C 2.942 179.180 176.094 0.239 0.000 1.055 296 V CA 2.300 64.854 62.300 0.423 0.000 1.049 296 V CB -1.524 30.465 31.823 0.276 0.000 0.662 296 V HN 1.071 nan 8.190 nan 0.000 0.455 297 S N -0.529 115.269 115.700 0.164 0.000 2.474 297 S HA -0.162 4.308 4.470 -0.001 0.000 0.235 297 S C 1.819 176.464 174.600 0.076 0.000 0.997 297 S CA 1.363 59.624 58.200 0.102 0.000 0.949 297 S CB -0.582 62.669 63.200 0.084 0.000 0.766 297 S HN 0.582 nan 8.310 nan 0.000 0.517 298 F N 2.151 122.055 119.950 -0.077 0.000 2.262 298 F HA 0.174 4.701 4.527 0.000 0.000 0.292 298 F C 2.493 178.157 175.800 -0.227 0.000 1.081 298 F CA 1.150 59.033 58.000 -0.194 0.000 1.355 298 F CB -0.171 38.627 39.000 -0.338 0.000 1.069 298 F HN 0.185 nan 8.300 nan 0.000 0.506 299 H N -0.232 118.823 119.070 -0.024 0.000 2.436 299 H HA 0.215 4.770 4.556 -0.001 0.000 0.294 299 H C 2.311 177.586 175.328 -0.088 0.000 1.048 299 H CA 0.980 56.942 56.048 -0.144 0.000 1.353 299 H CB -0.629 28.988 29.762 -0.242 0.000 1.414 299 H HN 0.374 nan 8.280 nan 0.000 0.536 300 A N 0.730 123.611 122.820 0.101 0.000 2.070 300 A HA -0.083 4.236 4.320 -0.001 0.000 0.220 300 A C 2.048 179.621 177.584 -0.019 0.000 1.159 300 A CA 0.940 53.016 52.037 0.065 0.000 0.656 300 A CB -0.359 18.684 19.000 0.071 0.000 0.800 300 A HN 0.175 nan 8.150 nan 0.000 0.453 301 L N -0.997 120.174 121.223 -0.086 0.000 2.592 301 L HA 0.227 4.567 4.340 -0.001 0.000 0.227 301 L C 1.061 177.839 176.870 -0.152 0.000 1.127 301 L CA 0.687 55.458 54.840 -0.115 0.000 0.884 301 L CB -0.174 41.801 42.059 -0.140 0.000 1.065 301 L HN 0.247 nan 8.230 nan 0.000 0.457 302 R N -1.107 119.294 120.500 -0.165 0.000 2.873 302 R HA 0.439 4.778 4.340 -0.001 0.000 0.264 302 R C -0.273 175.990 176.300 -0.061 0.000 1.026 302 R CA -0.882 55.127 56.100 -0.151 0.000 1.002 302 R CB 0.952 31.097 30.300 -0.259 0.000 1.174 302 R HN 0.051 nan 8.270 nan 0.000 0.488 303 Q N 1.230 121.001 119.800 -0.048 0.000 2.283 303 Q HA 0.040 4.380 4.340 -0.001 0.000 0.301 303 Q C -0.214 175.783 176.000 -0.005 0.000 1.063 303 Q CA 0.923 56.712 55.803 -0.024 0.000 0.952 303 Q CB 0.389 29.113 28.738 -0.023 0.000 1.166 303 Q HN 0.421 nan 8.270 nan 0.000 0.381 304 I N 4.080 124.651 120.570 0.003 0.000 2.867 304 I HA 0.122 4.291 4.170 -0.001 0.000 0.282 304 I C -2.057 174.067 176.117 0.013 0.000 1.437 304 I CA -1.728 59.582 61.300 0.017 0.000 0.918 304 I CB 1.114 39.142 38.000 0.047 0.000 1.612 304 I HN 0.373 nan 8.210 nan 0.000 0.592 305 P HA -0.293 nan 4.420 nan 0.000 0.219 305 P C 1.477 178.783 177.300 0.010 0.000 1.159 305 P CA 1.812 64.914 63.100 0.003 0.000 0.944 305 P CB 0.132 31.834 31.700 0.004 0.000 0.792 306 Q N -1.325 118.488 119.800 0.022 0.000 2.030 306 Q HA -0.176 4.164 4.340 -0.001 0.000 0.204 306 Q C 2.244 178.260 176.000 0.027 0.000 0.986 306 Q CA 1.272 57.093 55.803 0.031 0.000 0.843 306 Q CB -1.500 27.267 28.738 0.048 0.000 0.904 306 Q HN 0.229 nan 8.270 nan 0.000 0.420 307 L N 1.466 122.702 121.223 0.021 0.000 2.042 307 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 307 L C 2.049 178.905 176.870 -0.023 0.000 1.076 307 L CA 1.842 56.677 54.840 -0.008 0.000 0.749 307 L CB -0.543 41.520 42.059 0.008 0.000 0.893 307 L HN 0.179 nan 8.230 nan 0.000 0.432 308 E N -0.604 119.588 120.200 -0.012 0.000 2.051 308 E HA -0.218 4.132 4.350 -0.001 0.000 0.192 308 E C 1.843 178.414 176.600 -0.048 0.000 0.991 308 E CA 1.337 57.721 56.400 -0.028 0.000 0.799 308 E CB -0.137 29.546 29.700 -0.029 0.000 0.748 308 E HN 0.548 nan 8.360 nan 0.000 0.449 309 N N 0.222 118.910 118.700 -0.021 0.000 2.309 309 N HA -0.108 4.632 4.740 -0.001 0.000 0.182 309 N C 1.787 177.316 175.510 0.031 0.000 1.018 309 N CA 0.622 53.680 53.050 0.014 0.000 0.876 309 N CB -0.058 38.476 38.487 0.080 0.000 0.972 309 N HN 0.023 nan 8.380 nan 0.000 0.434 310 V N 1.155 121.091 119.914 0.036 0.000 2.453 310 V HA -0.126 3.994 4.120 -0.001 0.000 0.247 310 V C 2.297 178.456 176.094 0.107 0.000 1.048 310 V CA 0.777 63.154 62.300 0.128 0.000 1.049 310 V CB -0.435 31.478 31.823 0.149 0.000 0.672 310 V HN 0.173 nan 8.190 nan 0.000 0.457 311 L N 0.479 121.703 121.223 0.001 0.000 2.017 311 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 311 L C 2.391 179.253 176.870 -0.013 0.000 1.073 311 L CA 2.009 56.837 54.840 -0.021 0.000 0.745 311 L CB -0.726 41.313 42.059 -0.033 0.000 0.894 311 L HN 0.200 nan 8.230 nan 0.000 0.432 312 K N -0.708 119.640 120.400 -0.087 0.000 2.097 312 K HA -0.222 4.098 4.320 -0.001 0.000 0.206 312 K C 2.056 178.624 176.600 -0.053 0.000 1.049 312 K CA 1.489 57.672 56.287 -0.173 0.000 0.933 312 K CB -0.140 31.817 32.500 -0.905 0.000 0.717 312 K HN 0.276 nan 8.250 nan 0.000 0.442 313 E N 0.490 120.745 120.200 0.092 0.000 2.152 313 E HA -0.077 4.272 4.350 -0.001 0.000 0.192 313 E C 1.598 178.298 176.600 0.167 0.000 0.983 313 E CA 1.307 57.861 56.400 0.256 0.000 0.818 313 E CB -0.023 29.732 29.700 0.091 0.000 0.758 313 E HN 0.114 nan 8.360 nan 0.000 0.467 314 T N 0.492 115.150 114.554 0.174 0.000 2.857 314 T HA -0.025 4.324 4.350 -0.001 0.000 0.266 314 T C 1.733 176.434 174.700 0.000 0.000 1.048 314 T CA 0.963 63.172 62.100 0.182 0.000 1.139 314 T CB -0.140 68.838 68.868 0.183 0.000 0.874 314 T HN 0.126 nan 8.240 nan 0.000 0.455 315 L N 0.433 121.593 121.223 -0.105 0.000 2.141 315 L HA 0.023 4.362 4.340 -0.001 0.000 0.209 315 L C 2.817 179.445 176.870 -0.404 0.000 1.094 315 L CA 1.061 55.721 54.840 -0.299 0.000 0.763 315 L CB -0.378 41.410 42.059 -0.453 0.000 0.908 315 L HN 0.134 nan 8.230 nan 0.000 0.437 316 R N 0.444 120.753 120.500 -0.318 0.000 2.073 316 R HA -0.113 4.226 4.340 -0.001 0.000 0.229 316 R C 2.244 178.320 176.300 -0.374 0.000 1.120 316 R CA 1.220 57.089 56.100 -0.386 0.000 0.967 316 R CB -0.054 30.152 30.300 -0.157 0.000 0.862 316 R HN 0.305 nan 8.270 nan 0.000 0.436 317 L N -0.528 120.459 121.223 -0.394 0.000 2.131 317 L HA -0.049 4.290 4.340 -0.001 0.000 0.206 317 L C 0.623 176.960 176.870 -0.888 0.000 1.087 317 L CA 0.701 55.163 54.840 -0.629 0.000 0.767 317 L CB 0.008 41.611 42.059 -0.760 0.000 0.917 317 L HN 0.282 nan 8.230 nan 0.000 0.441 318 H N -0.520 118.337 119.070 -0.356 0.000 2.439 318 H HA 0.280 4.835 4.556 -0.001 0.000 0.230 318 H C -2.408 172.704 175.328 -0.360 0.000 1.420 318 H CA -2.043 53.704 56.048 -0.502 0.000 1.305 318 H CB -0.220 28.942 29.762 -0.999 0.000 1.667 318 H HN 0.057 nan 8.280 nan 0.000 0.515 319 P HA 0.042 nan 4.420 nan 0.000 0.267 319 P C -1.693 175.532 177.300 -0.126 0.000 1.209 319 P CA -0.992 61.964 63.100 -0.240 0.000 0.763 319 P CB 1.792 33.335 31.700 -0.263 0.000 0.816 320 P HA -0.116 nan 4.420 nan 0.000 0.217 320 P C 0.260 177.613 177.300 0.087 0.000 1.148 320 P CA 1.227 64.324 63.100 -0.006 0.000 0.828 320 P CB 0.260 31.911 31.700 -0.082 0.000 0.783 321 L N 0.914 122.170 121.223 0.056 0.000 2.276 321 L HA 0.272 4.611 4.340 -0.001 0.000 0.286 321 L C 1.773 178.696 176.870 0.089 0.000 1.024 321 L CA -0.348 54.575 54.840 0.138 0.000 0.826 321 L CB 0.911 43.069 42.059 0.165 0.000 1.211 321 L HN -0.126 nan 8.230 nan 0.000 0.422 322 I N 0.645 121.279 120.570 0.106 0.000 3.226 322 I HA 0.270 4.439 4.170 -0.001 0.000 0.277 322 I C 0.584 176.760 176.117 0.098 0.000 1.243 322 I CA 0.714 62.047 61.300 0.055 0.000 1.459 322 I CB 0.342 38.343 38.000 0.002 0.000 1.093 322 I HN 0.408 nan 8.210 nan 0.000 0.453 323 I N 1.544 122.228 120.570 0.190 0.000 2.722 323 I HA 0.433 4.602 4.170 -0.001 0.000 0.295 323 I C -1.631 174.660 176.117 0.289 0.000 1.161 323 I CA -0.867 60.570 61.300 0.228 0.000 1.032 323 I CB 2.527 40.730 38.000 0.339 0.000 1.244 323 I HN -0.025 nan 8.210 nan 0.000 0.421 324 L N 7.374 128.735 121.223 0.230 0.000 2.325 324 L HA 0.534 4.873 4.340 -0.001 0.000 0.281 324 L C -0.506 176.566 176.870 0.336 0.000 1.004 324 L CA -0.628 54.422 54.840 0.351 0.000 0.823 324 L CB 1.652 43.902 42.059 0.318 0.000 1.236 324 L HN 0.495 nan 8.230 nan 0.000 0.415 325 M N 3.382 123.190 119.600 0.347 0.000 2.528 325 M HA 0.645 5.125 4.480 -0.001 0.000 0.318 325 M C -0.312 175.995 176.300 0.013 0.000 1.195 325 M CA -0.545 54.784 55.300 0.049 0.000 1.000 325 M CB 1.880 34.268 32.600 -0.354 0.000 1.615 325 M HN 0.513 nan 8.290 nan 0.000 0.469 326 R N 0.258 120.744 120.500 -0.023 0.000 2.690 326 R HA 0.636 4.976 4.340 -0.001 0.000 0.269 326 R C -1.808 174.462 176.300 -0.050 0.000 1.037 326 R CA -0.739 55.326 56.100 -0.059 0.000 0.877 326 R CB 1.675 31.918 30.300 -0.096 0.000 1.255 326 R HN 0.503 nan 8.270 nan 0.000 0.467 327 V N 1.211 121.096 119.914 -0.048 0.000 2.448 327 V HA 0.542 4.661 4.120 -0.001 0.000 0.295 327 V C 0.211 176.319 176.094 0.023 0.000 1.025 327 V CA -1.001 61.289 62.300 -0.016 0.000 0.859 327 V CB 1.613 33.422 31.823 -0.024 0.000 0.988 327 V HN 0.887 nan 8.190 nan 0.000 0.431 328 A N 4.763 127.624 122.820 0.068 0.000 2.450 328 A HA 0.466 4.785 4.320 -0.001 0.000 0.255 328 A C 1.041 178.694 177.584 0.115 0.000 1.096 328 A CA -0.172 51.963 52.037 0.164 0.000 0.778 328 A CB 0.358 19.477 19.000 0.198 0.000 1.031 328 A HN 0.787 nan 8.150 nan 0.000 0.494 329 K N 2.256 122.762 120.400 0.177 0.000 2.141 329 K HA 0.109 4.428 4.320 -0.001 0.000 0.202 329 K C 1.232 177.834 176.600 0.003 0.000 1.045 329 K CA 1.322 57.665 56.287 0.093 0.000 0.971 329 K CB -0.203 32.367 32.500 0.117 0.000 0.795 329 K HN 0.774 nan 8.250 nan 0.000 0.459 330 G N 1.009 109.763 108.800 -0.077 0.000 2.795 330 G HA2 0.325 4.284 3.960 -0.001 0.000 0.267 330 G HA3 0.325 4.284 3.960 -0.001 0.000 0.267 330 G C -0.937 173.288 174.900 -1.124 0.000 1.362 330 G CA -0.394 44.407 45.100 -0.499 0.000 1.048 330 G HN -0.100 nan 8.290 nan 0.000 0.547 331 E N 0.128 119.735 120.200 -0.988 0.000 2.109 331 E HA 0.468 4.818 4.350 -0.001 0.000 0.278 331 E C -1.200 174.888 176.600 -0.854 0.000 0.954 331 E CA -0.063 55.880 56.400 -0.762 0.000 0.779 331 E CB 1.417 30.927 29.700 -0.316 0.000 1.093 331 E HN 0.296 nan 8.360 nan 0.000 0.401 332 F N 0.271 120.184 119.950 -0.061 0.000 2.640 332 F HA 0.452 4.979 4.527 -0.001 0.000 0.324 332 F C 0.429 176.146 175.800 -0.138 0.000 1.077 332 F CA -1.133 56.848 58.000 -0.032 0.000 0.965 332 F CB 1.944 41.025 39.000 0.135 0.000 1.351 332 F HN 0.176 nan 8.300 nan 0.000 0.487 333 E N 0.996 121.215 120.200 0.032 0.000 2.218 333 E HA 0.564 4.914 4.350 -0.001 0.000 0.263 333 E C -1.891 174.546 176.600 -0.273 0.000 0.879 333 E CA -0.582 55.754 56.400 -0.107 0.000 0.762 333 E CB 2.175 31.829 29.700 -0.077 0.000 1.166 333 E HN 0.432 nan 8.360 nan 0.000 0.415 334 V N 5.513 125.260 119.914 -0.278 0.000 2.334 334 V HA 0.162 4.281 4.120 -0.001 0.000 0.281 334 V C 0.005 176.050 176.094 -0.082 0.000 1.016 334 V CA -0.476 61.621 62.300 -0.339 0.000 0.832 334 V CB 1.054 32.654 31.823 -0.372 0.000 0.999 334 V HN 0.898 nan 8.190 nan 0.000 0.439 335 Q N 3.622 123.391 119.800 -0.051 0.000 2.451 335 Q HA -0.288 4.051 4.340 -0.001 0.000 0.305 335 Q C 1.320 177.193 176.000 -0.212 0.000 1.345 335 Q CA 0.799 56.554 55.803 -0.080 0.000 0.854 335 Q CB -1.426 27.315 28.738 0.004 0.000 1.162 335 Q HN 1.545 nan 8.270 nan 0.000 0.440 336 G N -0.999 107.671 108.800 -0.218 0.000 2.253 336 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.251 336 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.251 336 G C -0.058 174.627 174.900 -0.357 0.000 0.998 336 G CA 0.388 45.308 45.100 -0.300 0.000 0.621 336 G HN 0.582 nan 8.290 nan 0.000 0.524 337 H N 0.333 119.362 119.070 -0.068 0.000 2.527 337 H HA 0.530 5.086 4.556 -0.001 0.000 0.321 337 H C 0.577 175.849 175.328 -0.093 0.000 1.087 337 H CA -0.263 55.748 56.048 -0.061 0.000 1.337 337 H CB 1.286 31.019 29.762 -0.048 0.000 1.440 337 H HN 0.324 nan 8.280 nan 0.000 0.490 338 R N 3.300 123.806 120.500 0.010 0.000 2.202 338 R HA 0.319 4.659 4.340 -0.001 0.000 0.334 338 R C -0.445 175.691 176.300 -0.272 0.000 1.036 338 R CA -0.344 55.667 56.100 -0.148 0.000 0.878 338 R CB 0.074 30.269 30.300 -0.176 0.000 1.067 338 R HN 0.531 nan 8.270 nan 0.000 0.457 339 I N 4.562 124.977 120.570 -0.258 0.000 2.396 339 I HA 0.248 4.418 4.170 -0.001 0.000 0.292 339 I C 0.251 176.106 176.117 -0.438 0.000 0.999 339 I CA -0.576 60.611 61.300 -0.188 0.000 1.310 339 I CB 1.043 39.086 38.000 0.071 0.000 1.404 339 I HN 0.560 nan 8.210 nan 0.000 0.496 340 H N 4.274 123.319 119.070 -0.041 0.000 2.670 340 H HA 0.250 4.805 4.556 -0.001 0.000 0.361 340 H C -0.411 174.865 175.328 -0.087 0.000 1.169 340 H CA -0.741 55.251 56.048 -0.094 0.000 1.198 340 H CB 1.765 31.488 29.762 -0.066 0.000 1.700 340 H HN 0.475 nan 8.280 nan 0.000 0.542 341 E N 0.817 121.023 120.200 0.010 0.000 2.465 341 E HA 0.030 4.380 4.350 -0.001 0.000 0.260 341 E C 0.740 177.351 176.600 0.018 0.000 0.980 341 E CA 1.093 57.485 56.400 -0.013 0.000 0.927 341 E CB 0.371 30.049 29.700 -0.037 0.000 0.934 341 E HN 0.965 nan 8.360 nan 0.000 0.459 342 G N 4.918 113.728 108.800 0.018 0.000 2.279 342 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.223 342 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.223 342 G C -0.041 174.866 174.900 0.012 0.000 1.015 342 G CA 0.102 45.209 45.100 0.012 0.000 0.621 342 G HN 0.613 nan 8.290 nan 0.000 0.506 343 D N 1.148 121.564 120.400 0.026 0.000 2.443 343 D HA 0.378 5.018 4.640 -0.001 0.000 0.239 343 D C 0.974 177.272 176.300 -0.004 0.000 1.136 343 D CA 0.239 54.245 54.000 0.011 0.000 0.879 343 D CB 0.828 41.648 40.800 0.034 0.000 1.195 343 D HN 0.339 nan 8.370 nan 0.000 0.443 344 L N 1.876 123.068 121.223 -0.052 0.000 2.290 344 L HA 0.263 4.603 4.340 -0.001 0.000 0.284 344 L C -0.035 176.802 176.870 -0.055 0.000 1.078 344 L CA -0.686 54.113 54.840 -0.069 0.000 0.815 344 L CB 1.149 43.121 42.059 -0.144 0.000 1.162 344 L HN -0.025 nan 8.230 nan 0.000 0.435 345 V N 2.806 122.733 119.914 0.021 0.000 2.513 345 V HA 0.798 4.917 4.120 -0.001 0.000 0.299 345 V C 0.089 176.293 176.094 0.183 0.000 1.035 345 V CA -0.464 61.901 62.300 0.108 0.000 0.889 345 V CB 1.616 33.554 31.823 0.191 0.000 0.988 345 V HN 0.886 nan 8.190 nan 0.000 0.440 346 A N 3.509 126.394 122.820 0.109 0.000 2.486 346 A HA 0.975 5.295 4.320 -0.001 0.000 0.300 346 A C -0.499 176.913 177.584 -0.286 0.000 1.048 346 A CA -0.268 51.778 52.037 0.014 0.000 0.696 346 A CB 1.854 20.864 19.000 0.016 0.000 1.278 346 A HN 1.329 nan 8.150 nan 0.000 0.405 347 A N 0.444 122.879 122.820 -0.641 0.000 2.337 347 A HA 0.866 5.186 4.320 -0.001 0.000 0.331 347 A C -0.059 177.386 177.584 -0.232 0.000 1.137 347 A CA -0.218 51.389 52.037 -0.716 0.000 0.807 347 A CB 1.383 19.506 19.000 -1.461 0.000 1.250 347 A HN 1.787 nan 8.150 nan 0.000 0.468 348 S N 1.527 117.166 115.700 -0.102 0.000 2.774 348 S HA 0.552 5.021 4.470 -0.001 0.000 0.297 348 S C -2.355 172.251 174.600 0.010 0.000 1.143 348 S CA -1.253 56.946 58.200 -0.003 0.000 1.090 348 S CB 1.205 64.417 63.200 0.020 0.000 1.019 348 S HN 0.341 nan 8.310 nan 0.000 0.482 349 P HA 0.043 nan 4.420 nan 0.000 0.221 349 P C 1.410 178.661 177.300 -0.082 0.000 1.150 349 P CA 0.943 64.022 63.100 -0.035 0.000 0.800 349 P CB 0.153 31.810 31.700 -0.071 0.000 0.787 350 A N -0.304 122.475 122.820 -0.067 0.000 1.908 350 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 350 A C 2.036 179.580 177.584 -0.068 0.000 1.181 350 A CA 1.590 53.572 52.037 -0.092 0.000 0.627 350 A CB -1.396 17.553 19.000 -0.086 0.000 0.818 350 A HN 0.035 nan 8.150 nan 0.000 0.445 351 I N -0.442 120.110 120.570 -0.030 0.000 2.235 351 I HA -0.077 4.093 4.170 -0.001 0.000 0.241 351 I C 2.546 178.683 176.117 0.035 0.000 1.085 351 I CA 1.455 62.755 61.300 -0.000 0.000 1.378 351 I CB -1.604 36.402 38.000 0.010 0.000 1.076 351 I HN 0.196 nan 8.210 nan 0.000 0.415 352 S N 1.605 117.340 115.700 0.058 0.000 2.382 352 S HA -0.137 4.333 4.470 -0.001 0.000 0.228 352 S C 1.575 176.299 174.600 0.207 0.000 1.027 352 S CA 1.092 59.376 58.200 0.139 0.000 0.991 352 S CB -0.343 62.958 63.200 0.167 0.000 0.823 352 S HN 0.438 nan 8.310 nan 0.000 0.469 353 N N 1.088 119.811 118.700 0.037 0.000 2.573 353 N HA 0.010 4.750 4.740 -0.001 0.000 0.187 353 N C 0.874 176.301 175.510 -0.139 0.000 1.107 353 N CA 0.573 53.532 53.050 -0.152 0.000 0.918 353 N CB -0.005 38.279 38.487 -0.338 0.000 0.966 353 N HN 0.415 nan 8.380 nan 0.000 0.448 354 R N -0.358 120.160 120.500 0.030 0.000 2.600 354 R HA 0.311 4.651 4.340 -0.001 0.000 0.392 354 R C -0.161 176.191 176.300 0.087 0.000 1.032 354 R CA -0.319 55.777 56.100 -0.008 0.000 1.139 354 R CB 0.784 30.980 30.300 -0.173 0.000 1.400 354 R HN 0.103 nan 8.270 nan 0.000 0.566 355 I N 3.318 124.020 120.570 0.220 0.000 2.742 355 I HA -0.046 4.124 4.170 -0.001 0.000 0.287 355 I C -1.353 174.818 176.117 0.090 0.000 1.186 355 I CA -1.331 60.046 61.300 0.128 0.000 1.417 355 I CB 0.959 39.028 38.000 0.116 0.000 1.377 355 I HN -0.164 nan 8.210 nan 0.000 0.556 356 P HA -0.243 nan 4.420 nan 0.000 0.214 356 P C 1.220 178.510 177.300 -0.016 0.000 1.163 356 P CA 1.282 64.392 63.100 0.015 0.000 0.889 356 P CB -0.020 31.692 31.700 0.020 0.000 0.790 357 E N -0.571 119.610 120.200 -0.032 0.000 2.333 357 E HA -0.191 4.159 4.350 -0.001 0.000 0.198 357 E C 0.794 177.311 176.600 -0.139 0.000 1.007 357 E CA 1.316 57.679 56.400 -0.061 0.000 0.845 357 E CB -0.930 28.746 29.700 -0.040 0.000 0.766 357 E HN 0.318 nan 8.360 nan 0.000 0.507 358 D N -0.367 119.888 120.400 -0.242 0.000 2.324 358 D HA 0.089 4.729 4.640 -0.001 0.000 0.212 358 D C -0.263 175.566 176.300 -0.785 0.000 0.984 358 D CA 0.428 54.085 54.000 -0.571 0.000 0.885 358 D CB 0.184 40.487 40.800 -0.829 0.000 0.996 358 D HN 0.130 nan 8.370 nan 0.000 0.505 359 F N 0.958 120.900 119.950 -0.014 0.000 2.691 359 F HA 0.353 4.879 4.527 -0.001 0.000 0.371 359 F C -2.438 173.322 175.800 -0.066 0.000 1.159 359 F CA -2.606 55.369 58.000 -0.042 0.000 1.174 359 F CB 1.467 40.455 39.000 -0.020 0.000 1.419 359 F HN -0.372 nan 8.300 nan 0.000 0.514 360 P HA -0.033 nan 4.420 nan 0.000 0.264 360 P C -0.038 177.272 177.300 0.017 0.000 1.179 360 P CA 0.635 63.745 63.100 0.016 0.000 0.763 360 P CB 0.424 32.118 31.700 -0.010 0.000 0.806 361 D N 1.967 122.376 120.400 0.015 0.000 2.686 361 D HA -0.147 4.493 4.640 -0.001 0.000 0.235 361 D C -1.098 175.196 176.300 -0.010 0.000 1.160 361 D CA 0.341 54.355 54.000 0.023 0.000 0.645 361 D CB -0.781 40.031 40.800 0.019 0.000 1.039 361 D HN 0.401 nan 8.370 nan 0.000 0.423 362 P HA -0.200 nan 4.420 nan 0.000 0.218 362 P C 1.078 178.226 177.300 -0.254 0.000 1.146 362 P CA 1.383 64.384 63.100 -0.166 0.000 0.820 362 P CB -0.000 31.559 31.700 -0.235 0.000 0.778 363 H N -1.068 118.013 119.070 0.018 0.000 2.539 363 H HA 0.164 4.719 4.556 -0.001 0.000 0.267 363 H C 0.249 175.599 175.328 0.038 0.000 0.982 363 H CA 0.253 56.309 56.048 0.013 0.000 1.146 363 H CB -0.046 29.731 29.762 0.025 0.000 1.382 363 H HN 0.254 nan 8.280 nan 0.000 0.577 364 D N 0.745 121.207 120.400 0.102 0.000 2.177 364 D HA 0.017 4.656 4.640 -0.001 0.000 0.247 364 D C -0.305 176.034 176.300 0.064 0.000 1.063 364 D CA -0.559 53.500 54.000 0.098 0.000 0.867 364 D CB 1.458 42.293 40.800 0.059 0.000 1.168 364 D HN 0.043 nan 8.370 nan 0.000 0.445 365 F N 3.091 122.999 119.950 -0.071 0.000 2.494 365 F HA 0.193 4.720 4.527 -0.001 0.000 0.351 365 F C -0.491 175.200 175.800 -0.183 0.000 1.205 365 F CA -0.338 57.571 58.000 -0.151 0.000 1.125 365 F CB 0.108 38.912 39.000 -0.327 0.000 1.268 365 F HN -0.035 nan 8.300 nan 0.000 0.593 366 V N 9.445 129.041 119.914 -0.531 0.000 2.313 366 V HA 0.175 4.295 4.120 -0.001 0.000 0.262 366 V C -1.702 174.093 176.094 -0.499 0.000 1.011 366 V CA -1.140 60.877 62.300 -0.472 0.000 0.858 366 V CB 0.809 32.478 31.823 -0.256 0.000 1.104 366 V HN 0.533 nan 8.190 nan 0.000 0.456 367 P HA -0.240 nan 4.420 nan 0.000 0.217 367 P C 1.758 178.952 177.300 -0.178 0.000 1.148 367 P CA 1.913 64.823 63.100 -0.317 0.000 0.834 367 P CB 0.327 31.837 31.700 -0.316 0.000 0.783 368 A N -0.246 122.447 122.820 -0.212 0.000 2.076 368 A HA -0.250 4.069 4.320 -0.001 0.000 0.220 368 A C 2.313 179.763 177.584 -0.223 0.000 1.160 368 A CA 1.458 53.400 52.037 -0.159 0.000 0.653 368 A CB -1.230 17.690 19.000 -0.133 0.000 0.801 368 A HN 0.072 nan 8.150 nan 0.000 0.455 369 R N -1.607 118.668 120.500 -0.375 0.000 2.185 369 R HA -0.212 4.128 4.340 -0.001 0.000 0.247 369 R C 0.632 176.521 176.300 -0.686 0.000 1.159 369 R CA 1.945 57.701 56.100 -0.573 0.000 0.988 369 R CB -0.267 29.537 30.300 -0.828 0.000 0.871 369 R HN 0.665 nan 8.270 nan 0.000 0.458 370 Y N -0.142 120.070 120.300 -0.145 0.000 2.507 370 Y HA 0.297 4.846 4.550 -0.001 0.000 0.254 370 Y C -0.032 175.790 175.900 -0.131 0.000 1.171 370 Y CA -0.478 57.522 58.100 -0.167 0.000 1.238 370 Y CB 0.330 38.672 38.460 -0.195 0.000 1.148 370 Y HN -0.029 nan 8.280 nan 0.000 0.525 371 E N 0.539 120.719 120.200 -0.034 0.000 2.373 371 E HA -0.022 4.327 4.350 -0.001 0.000 0.263 371 E C 0.836 177.410 176.600 -0.044 0.000 1.073 371 E CA -0.200 56.181 56.400 -0.031 0.000 0.894 371 E CB 0.785 30.460 29.700 -0.042 0.000 1.008 371 E HN 0.126 nan 8.360 nan 0.000 0.420 372 Q N 2.325 122.104 119.800 -0.035 0.000 2.165 372 Q HA -0.226 4.113 4.340 -0.001 0.000 0.215 372 Q C -0.935 175.037 176.000 -0.046 0.000 1.010 372 Q CA 2.414 58.194 55.803 -0.039 0.000 0.896 372 Q CB -0.974 27.746 28.738 -0.031 0.000 0.956 372 Q HN 0.403 nan 8.270 nan 0.000 0.413 373 P HA -0.104 nan 4.420 nan 0.000 0.226 373 P C 0.188 177.449 177.300 -0.064 0.000 1.146 373 P CA 1.353 64.422 63.100 -0.051 0.000 0.773 373 P CB 0.114 31.785 31.700 -0.048 0.000 0.772 374 R N -2.723 117.729 120.500 -0.080 0.000 3.059 374 R HA 0.186 4.525 4.340 -0.001 0.000 0.161 374 R C 0.203 176.441 176.300 -0.103 0.000 0.758 374 R CA -0.235 55.805 56.100 -0.100 0.000 1.064 374 R CB -0.105 30.113 30.300 -0.137 0.000 1.538 374 R HN -0.118 nan 8.270 nan 0.000 0.574 375 Q N 1.204 120.940 119.800 -0.107 0.000 2.416 375 Q HA -0.259 4.081 4.340 -0.001 0.000 0.319 375 Q C -0.014 175.925 176.000 -0.101 0.000 1.318 375 Q CA 0.639 56.391 55.803 -0.085 0.000 0.915 375 Q CB -0.962 27.731 28.738 -0.075 0.000 1.184 375 Q HN 0.419 nan 8.270 nan 0.000 0.444 376 E N 0.537 120.656 120.200 -0.135 0.000 2.267 376 E HA -0.223 4.126 4.350 -0.001 0.000 0.197 376 E C 1.582 178.198 176.600 0.027 0.000 0.998 376 E CA 1.279 57.655 56.400 -0.040 0.000 0.830 376 E CB 0.075 29.787 29.700 0.020 0.000 0.751 376 E HN 0.610 nan 8.360 nan 0.000 0.491 377 D N 0.407 120.697 120.400 -0.184 0.000 2.149 377 D HA -0.170 4.470 4.640 -0.001 0.000 0.201 377 D C 1.817 177.937 176.300 -0.300 0.000 0.972 377 D CA 0.823 54.417 54.000 -0.676 0.000 0.835 377 D CB -0.318 39.534 40.800 -1.579 0.000 0.966 377 D HN 0.280 nan 8.370 nan 0.000 0.476 378 L N -0.283 120.818 121.223 -0.203 0.000 2.446 378 L HA 0.163 4.503 4.340 -0.001 0.000 0.219 378 L C 2.258 179.073 176.870 -0.091 0.000 1.116 378 L CA 0.122 54.879 54.840 -0.137 0.000 0.844 378 L CB -0.010 41.973 42.059 -0.127 0.000 0.970 378 L HN -0.055 nan 8.230 nan 0.000 0.457 379 L N -0.396 120.786 121.223 -0.068 0.000 2.592 379 L HA 0.107 4.447 4.340 -0.001 0.000 0.227 379 L C 0.327 177.172 176.870 -0.042 0.000 1.127 379 L CA 0.293 55.100 54.840 -0.056 0.000 0.884 379 L CB -0.041 41.980 42.059 -0.064 0.000 1.065 379 L HN 0.299 nan 8.230 nan 0.000 0.457 380 N N 0.682 119.382 118.700 0.001 0.000 2.679 380 N HA 0.095 4.835 4.740 -0.001 0.000 0.302 380 N C 0.999 176.563 175.510 0.090 0.000 1.941 380 N CA -0.112 52.969 53.050 0.052 0.000 0.875 380 N CB 0.818 39.333 38.487 0.047 0.000 1.278 380 N HN 0.300 nan 8.380 nan 0.000 0.490 381 R N -0.429 120.003 120.500 -0.114 0.000 2.211 381 R HA -0.102 4.237 4.340 -0.001 0.000 0.240 381 R C 0.148 176.143 176.300 -0.509 0.000 1.144 381 R CA 1.180 57.049 56.100 -0.385 0.000 0.992 381 R CB -0.212 29.684 30.300 -0.674 0.000 0.869 381 R HN 0.334 nan 8.270 nan 0.000 0.462 382 W N 0.333 121.724 121.300 0.152 0.000 3.005 382 W HA 0.278 4.938 4.660 -0.000 0.000 0.374 382 W C 0.845 177.501 176.519 0.228 0.000 1.076 382 W CA -0.098 57.354 57.345 0.179 0.000 1.794 382 W CB 0.909 30.483 29.460 0.189 0.000 1.113 382 W HN 0.022 nan 8.180 nan 0.000 0.584 383 T N -3.072 111.719 114.554 0.395 0.000 3.019 383 T HA -0.029 4.321 4.350 -0.001 0.000 0.247 383 T C -0.002 175.001 174.700 0.505 0.000 0.992 383 T CA -0.152 62.203 62.100 0.424 0.000 1.036 383 T CB -0.153 68.930 68.868 0.359 0.000 1.063 383 T HN -0.028 nan 8.240 nan 0.000 0.476 384 W N 4.733 126.260 121.300 0.378 0.000 2.072 384 W HA 0.480 5.139 4.660 -0.001 0.000 0.413 384 W C 0.187 176.743 176.519 0.060 0.000 0.865 384 W CA -1.474 55.993 57.345 0.204 0.000 1.579 384 W CB -0.275 29.331 29.460 0.243 0.000 1.720 384 W HN 0.310 nan 8.180 nan 0.000 0.301 385 I N 4.135 124.605 120.570 -0.165 0.000 3.637 385 I HA 0.322 4.491 4.170 -0.001 0.000 0.342 385 I C -1.272 174.652 176.117 -0.323 0.000 1.545 385 I CA -1.642 59.552 61.300 -0.176 0.000 1.126 385 I CB 0.301 38.329 38.000 0.047 0.000 1.375 385 I HN -0.014 nan 8.210 nan 0.000 0.467 386 P HA -0.155 nan 4.420 nan 0.000 0.218 386 P C 0.939 177.899 177.300 -0.565 0.000 1.148 386 P CA 1.582 64.253 63.100 -0.715 0.000 0.822 386 P CB -0.012 31.021 31.700 -1.112 0.000 0.784 387 F N -0.668 119.123 119.950 -0.265 0.000 2.695 387 F HA 0.397 4.923 4.527 -0.001 0.000 0.303 387 F C 1.863 177.627 175.800 -0.061 0.000 1.091 387 F CA 0.650 58.582 58.000 -0.114 0.000 1.300 387 F CB -0.237 38.714 39.000 -0.080 0.000 1.071 387 F HN 0.080 nan 8.300 nan 0.000 0.578 388 G N 0.907 109.731 108.800 0.040 0.000 2.542 388 G HA2 0.230 4.190 3.960 -0.001 0.000 0.235 388 G HA3 0.230 4.190 3.960 -0.001 0.000 0.235 388 G C -0.465 174.190 174.900 -0.408 0.000 1.286 388 G CA -0.244 44.825 45.100 -0.052 0.000 0.904 388 G HN 0.979 nan 8.290 nan 0.000 0.577 389 A N -2.552 119.828 122.820 -0.733 0.000 2.483 389 A HA 1.130 5.449 4.320 -0.001 0.000 0.294 389 A C 1.123 178.588 177.584 -0.198 0.000 1.077 389 A CA 1.338 53.059 52.037 -0.527 0.000 0.633 389 A CB 0.488 19.085 19.000 -0.672 0.000 1.318 389 A HN 3.391 nan 8.150 nan 0.000 0.455 390 G N -1.767 107.018 108.800 -0.025 0.000 2.642 390 G HA2 0.299 4.259 3.960 -0.001 0.000 0.231 390 G HA3 0.299 4.259 3.960 -0.001 0.000 0.231 390 G C 0.868 175.790 174.900 0.037 0.000 1.338 390 G CA 2.017 47.219 45.100 0.170 0.000 0.883 390 G HN 2.376 nan 8.290 nan 0.000 0.570 391 R N -1.480 118.997 120.500 -0.039 0.000 2.081 391 R HA -0.060 4.279 4.340 -0.001 0.000 0.235 391 R C 2.044 178.213 176.300 -0.219 0.000 1.131 391 R CA 2.508 58.489 56.100 -0.198 0.000 0.960 391 R CB -1.174 28.901 30.300 -0.376 0.000 0.856 391 R HN 0.937 nan 8.270 nan 0.000 0.436 392 H N 0.205 119.350 119.070 0.126 0.000 2.660 392 H HA 0.189 4.745 4.556 -0.001 0.000 0.310 392 H C -0.001 175.419 175.328 0.153 0.000 1.080 392 H CA -0.417 55.711 56.048 0.134 0.000 1.145 392 H CB -0.659 29.191 29.762 0.147 0.000 1.432 392 H HN 0.426 nan 8.280 nan 0.000 0.542 393 R N 0.632 121.223 120.500 0.152 0.000 2.491 393 R HA 0.054 4.394 4.340 -0.001 0.000 0.283 393 R C 0.026 176.386 176.300 0.099 0.000 1.072 393 R CA -0.299 55.862 56.100 0.101 0.000 1.048 393 R CB 0.425 30.727 30.300 0.002 0.000 0.983 393 R HN 0.330 nan 8.270 nan 0.000 0.450 394 C N 6.392 125.774 119.300 0.135 0.000 1.849 394 C HA -0.077 4.383 4.460 -0.001 0.000 0.424 394 C C 2.162 177.148 174.990 -0.008 0.000 1.528 394 C CA 0.193 59.278 59.018 0.111 0.000 1.490 394 C CB -1.412 26.455 27.740 0.212 0.000 2.760 394 C HN 0.761 nan 8.230 nan 0.000 0.603 395 V N 4.446 124.350 119.914 -0.015 0.000 2.970 395 V HA 0.153 4.272 4.120 -0.001 0.000 0.260 395 V C 1.883 177.882 176.094 -0.158 0.000 1.100 395 V CA 1.988 64.212 62.300 -0.127 0.000 1.122 395 V CB -0.980 30.741 31.823 -0.170 0.000 0.721 395 V HN 1.015 nan 8.190 nan 0.000 0.483 396 G N -0.952 107.807 108.800 -0.068 0.000 3.141 396 G HA2 0.367 4.327 3.960 -0.001 0.000 0.218 396 G HA3 0.367 4.327 3.960 -0.001 0.000 0.218 396 G C 1.415 176.315 174.900 -0.000 0.000 1.170 396 G CA 0.547 45.637 45.100 -0.015 0.000 0.769 396 G HN 0.724 nan 8.290 nan 0.000 0.546 397 A N 1.546 124.260 122.820 -0.177 0.000 1.873 397 A HA 0.091 4.410 4.320 -0.001 0.000 0.218 397 A C 2.800 180.215 177.584 -0.282 0.000 1.193 397 A CA 2.378 54.121 52.037 -0.490 0.000 0.629 397 A CB -0.880 17.606 19.000 -0.858 0.000 0.826 397 A HN 0.790 nan 8.150 nan 0.000 0.447 398 A N -1.605 121.116 122.820 -0.166 0.000 1.940 398 A HA -0.074 4.246 4.320 -0.001 0.000 0.219 398 A C 2.078 179.667 177.584 0.007 0.000 1.176 398 A CA 1.733 53.724 52.037 -0.077 0.000 0.631 398 A CB -0.700 18.276 19.000 -0.040 0.000 0.814 398 A HN 0.749 nan 8.150 nan 0.000 0.446 399 F N 0.836 120.744 119.950 -0.070 0.000 2.113 399 F HA 0.008 4.535 4.527 -0.001 0.000 0.297 399 F C 2.493 178.284 175.800 -0.014 0.000 1.103 399 F CA 1.191 59.172 58.000 -0.032 0.000 1.248 399 F CB -0.403 38.567 39.000 -0.049 0.000 0.999 399 F HN 0.238 nan 8.300 nan 0.000 0.475 400 A N 0.638 123.506 122.820 0.080 0.000 1.933 400 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 400 A C 2.283 179.858 177.584 -0.016 0.000 1.175 400 A CA 1.963 54.028 52.037 0.047 0.000 0.628 400 A CB -1.164 17.962 19.000 0.211 0.000 0.814 400 A HN 0.518 nan 8.150 nan 0.000 0.444 401 I N -0.913 119.652 120.570 -0.009 0.000 2.163 401 I HA -0.238 3.932 4.170 -0.001 0.000 0.240 401 I C 2.722 178.811 176.117 -0.047 0.000 1.081 401 I CA 1.511 62.813 61.300 0.003 0.000 1.353 401 I CB -0.300 37.695 38.000 -0.009 0.000 1.054 401 I HN 0.391 nan 8.210 nan 0.000 0.407 402 M N 0.841 120.381 119.600 -0.100 0.000 2.144 402 M HA -0.301 4.179 4.480 -0.001 0.000 0.260 402 M C 2.265 178.474 176.300 -0.152 0.000 1.067 402 M CA 1.993 57.225 55.300 -0.113 0.000 1.095 402 M CB -0.890 31.629 32.600 -0.135 0.000 1.365 402 M HN 0.330 nan 8.290 nan 0.000 0.406 403 Q N -0.106 119.521 119.800 -0.288 0.000 2.084 403 Q HA -0.162 4.177 4.340 -0.001 0.000 0.202 403 Q C 1.973 177.932 176.000 -0.068 0.000 0.978 403 Q CA 1.725 57.364 55.803 -0.273 0.000 0.844 403 Q CB -0.057 28.427 28.738 -0.424 0.000 0.898 403 Q HN 0.543 nan 8.270 nan 0.000 0.426 404 I N 0.972 121.543 120.570 0.002 0.000 2.252 404 I HA -0.251 3.918 4.170 -0.001 0.000 0.245 404 I C 2.154 178.411 176.117 0.233 0.000 1.102 404 I CA 1.469 62.865 61.300 0.160 0.000 1.385 404 I CB -0.853 37.212 38.000 0.108 0.000 1.064 404 I HN 0.280 nan 8.210 nan 0.000 0.414 405 K N 0.959 121.430 120.400 0.118 0.000 2.032 405 K HA -0.151 4.168 4.320 -0.001 0.000 0.209 405 K C 2.251 178.948 176.600 0.161 0.000 1.048 405 K CA 1.713 58.082 56.287 0.137 0.000 0.927 405 K CB -0.231 32.321 32.500 0.088 0.000 0.712 405 K HN 0.283 nan 8.250 nan 0.000 0.441 406 A N 1.484 124.362 122.820 0.096 0.000 1.877 406 A HA -0.155 4.165 4.320 -0.001 0.000 0.216 406 A C 2.145 179.765 177.584 0.059 0.000 1.186 406 A CA 1.307 53.394 52.037 0.082 0.000 0.620 406 A CB -0.594 18.420 19.000 0.023 0.000 0.822 406 A HN 0.182 nan 8.150 nan 0.000 0.443 407 I N -1.868 118.723 120.570 0.035 0.000 2.179 407 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 407 I C 2.149 178.187 176.117 -0.132 0.000 1.088 407 I CA 1.536 62.799 61.300 -0.062 0.000 1.357 407 I CB -0.319 37.607 38.000 -0.123 0.000 1.051 407 I HN 0.333 nan 8.210 nan 0.000 0.409 408 F N 0.203 120.174 119.950 0.035 0.000 2.456 408 F HA -0.071 4.455 4.527 -0.001 0.000 0.298 408 F C 2.668 178.482 175.800 0.024 0.000 1.104 408 F CA 0.629 58.647 58.000 0.031 0.000 1.435 408 F CB -0.477 38.524 39.000 0.002 0.000 1.078 408 F HN -0.078 nan 8.300 nan 0.000 0.546 409 S N -0.189 115.604 115.700 0.155 0.000 2.399 409 S HA -0.130 4.340 4.470 -0.001 0.000 0.231 409 S C 2.243 176.776 174.600 -0.113 0.000 1.022 409 S CA 1.155 59.355 58.200 -0.000 0.000 0.983 409 S CB -0.353 62.882 63.200 0.058 0.000 0.803 409 S HN 0.143 nan 8.310 nan 0.000 0.480 410 V N 1.814 121.701 119.914 -0.045 0.000 2.273 410 V HA -0.042 4.078 4.120 -0.001 0.000 0.242 410 V C 2.161 178.253 176.094 -0.002 0.000 1.035 410 V CA 1.277 63.544 62.300 -0.056 0.000 1.013 410 V CB -0.649 31.143 31.823 -0.051 0.000 0.652 410 V HN 0.398 nan 8.190 nan 0.000 0.452 411 L N -0.421 120.809 121.223 0.012 0.000 2.017 411 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 411 L C 2.387 179.467 176.870 0.350 0.000 1.073 411 L CA 1.601 56.521 54.840 0.134 0.000 0.745 411 L CB -0.596 41.450 42.059 -0.023 0.000 0.894 411 L HN 0.300 nan 8.230 nan 0.000 0.432 412 L N -0.806 120.600 121.223 0.304 0.000 2.291 412 L HA -0.118 4.221 4.340 -0.001 0.000 0.214 412 L C 2.665 179.682 176.870 0.244 0.000 1.120 412 L CA 0.827 55.895 54.840 0.380 0.000 0.799 412 L CB -0.387 41.885 42.059 0.356 0.000 0.925 412 L HN 0.228 nan 8.230 nan 0.000 0.446 413 R N -0.586 119.980 120.500 0.110 0.000 2.173 413 R HA -0.023 4.316 4.340 -0.001 0.000 0.208 413 R C 1.893 178.185 176.300 -0.014 0.000 1.035 413 R CA 0.516 56.625 56.100 0.015 0.000 1.004 413 R CB 0.217 30.455 30.300 -0.103 0.000 0.917 413 R HN 0.323 nan 8.270 nan 0.000 0.462 414 E N -0.607 119.593 120.200 0.000 0.000 2.166 414 E HA 0.040 4.389 4.350 -0.001 0.000 0.192 414 E C -0.099 176.282 176.600 -0.365 0.000 0.967 414 E CA 0.862 57.166 56.400 -0.160 0.000 0.840 414 E CB 0.331 29.983 29.700 -0.081 0.000 0.795 414 E HN 0.159 nan 8.360 nan 0.000 0.470 415 Y N 0.185 120.532 120.300 0.079 0.000 2.545 415 Y HA 0.348 4.898 4.550 -0.000 0.000 0.348 415 Y C 0.289 176.220 175.900 0.052 0.000 1.002 415 Y CA -0.866 57.238 58.100 0.006 0.000 1.039 415 Y CB 1.782 40.168 38.460 -0.123 0.000 1.271 415 Y HN -0.277 nan 8.280 nan 0.000 0.467 416 E N 1.597 121.846 120.200 0.081 0.000 2.195 416 E HA 0.485 4.834 4.350 -0.001 0.000 0.271 416 E C -1.650 174.935 176.600 -0.024 0.000 0.923 416 E CA -0.618 55.883 56.400 0.167 0.000 0.790 416 E CB 1.698 31.429 29.700 0.052 0.000 1.155 416 E HN 0.358 nan 8.360 nan 0.000 0.402 417 F N 0.929 121.098 119.950 0.365 0.000 2.579 417 F HA 0.370 4.897 4.527 -0.001 0.000 0.324 417 F C 0.184 176.111 175.800 0.211 0.000 1.058 417 F CA -0.782 57.380 58.000 0.270 0.000 0.944 417 F CB 1.702 40.849 39.000 0.245 0.000 1.245 417 F HN 0.360 nan 8.300 nan 0.000 0.477 418 E N 0.623 120.993 120.200 0.283 0.000 2.392 418 E HA 0.502 4.852 4.350 -0.001 0.000 0.279 418 E C -1.727 174.934 176.600 0.101 0.000 0.964 418 E CA -1.051 55.443 56.400 0.157 0.000 0.777 418 E CB 1.963 31.712 29.700 0.080 0.000 1.249 418 E HN 0.532 nan 8.360 nan 0.000 0.449 419 M N 1.648 121.280 119.600 0.053 0.000 2.217 419 M HA 0.310 4.789 4.480 -0.001 0.000 0.354 419 M C 0.438 176.809 176.300 0.119 0.000 1.225 419 M CA 0.005 55.355 55.300 0.083 0.000 1.137 419 M CB 1.147 33.763 32.600 0.027 0.000 1.576 419 M HN 0.834 nan 8.290 nan 0.000 0.461 420 A N 3.431 126.342 122.820 0.153 0.000 2.387 420 A HA 0.212 4.532 4.320 -0.001 0.000 0.234 420 A C 0.280 177.895 177.584 0.052 0.000 1.253 420 A CA 0.095 52.170 52.037 0.063 0.000 0.894 420 A CB 0.245 19.253 19.000 0.013 0.000 0.963 420 A HN 0.867 nan 8.150 nan 0.000 0.508 421 Q N -0.543 119.330 119.800 0.121 0.000 2.544 421 Q HA 0.402 4.741 4.340 -0.001 0.000 0.291 421 Q C -2.950 173.115 176.000 0.109 0.000 1.068 421 Q CA -2.481 53.327 55.803 0.009 0.000 0.785 421 Q CB 1.181 29.770 28.738 -0.248 0.000 1.481 421 Q HN -0.023 nan 8.270 nan 0.000 0.430 422 P HA 0.015 nan 4.420 nan 0.000 0.268 422 P C -2.077 175.328 177.300 0.175 0.000 1.204 422 P CA -0.791 62.353 63.100 0.073 0.000 0.768 422 P CB 0.185 31.898 31.700 0.021 0.000 0.842 423 P HA -0.245 nan 4.420 nan 0.000 0.218 423 P C 0.853 178.305 177.300 0.253 0.000 1.150 423 P CA 1.630 64.853 63.100 0.205 0.000 0.841 423 P CB 0.009 31.748 31.700 0.065 0.000 0.784 424 E N -0.749 119.543 120.200 0.153 0.000 2.152 424 E HA -0.104 4.246 4.350 -0.001 0.000 0.192 424 E C 1.982 178.639 176.600 0.094 0.000 0.983 424 E CA 1.362 57.837 56.400 0.124 0.000 0.818 424 E CB -1.144 28.600 29.700 0.073 0.000 0.758 424 E HN 0.328 nan 8.360 nan 0.000 0.467 425 S N -0.181 115.521 115.700 0.003 0.000 2.537 425 S HA -0.137 4.333 4.470 -0.001 0.000 0.240 425 S C 0.157 174.615 174.600 -0.237 0.000 0.981 425 S CA 0.184 58.301 58.200 -0.139 0.000 0.948 425 S CB -0.558 62.497 63.200 -0.242 0.000 0.759 425 S HN 0.169 nan 8.310 nan 0.000 0.531 426 Y N 3.956 124.233 120.300 -0.038 0.000 2.504 426 Y HA 0.489 5.039 4.550 -0.001 0.000 0.351 426 Y C 0.883 176.791 175.900 0.013 0.000 0.988 426 Y CA -0.715 57.308 58.100 -0.128 0.000 1.239 426 Y CB 0.406 38.709 38.460 -0.262 0.000 1.128 426 Y HN 0.333 nan 8.280 nan 0.000 0.525 427 R N 0.966 121.549 120.500 0.139 0.000 2.781 427 R HA 0.518 4.857 4.340 -0.001 0.000 0.269 427 R C -1.419 175.034 176.300 0.254 0.000 1.025 427 R CA -1.069 55.228 56.100 0.328 0.000 0.914 427 R CB 1.088 31.503 30.300 0.191 0.000 1.236 427 R HN 0.303 nan 8.270 nan 0.000 0.465 428 N N 0.573 119.419 118.700 0.243 0.000 2.493 428 N HA 0.114 4.854 4.740 -0.001 0.000 0.275 428 N C -1.215 174.140 175.510 -0.257 0.000 1.186 428 N CA -0.084 52.957 53.050 -0.015 0.000 0.978 428 N CB 0.854 39.222 38.487 -0.198 0.000 1.184 428 N HN 0.525 nan 8.380 nan 0.000 0.487 429 D N -0.049 120.205 120.400 -0.242 0.000 2.373 429 D HA 0.156 4.795 4.640 -0.001 0.000 0.227 429 D C -0.271 175.873 176.300 -0.259 0.000 1.091 429 D CA -0.170 53.722 54.000 -0.181 0.000 0.840 429 D CB 0.203 40.966 40.800 -0.062 0.000 1.060 429 D HN 0.476 nan 8.370 nan 0.000 0.502 430 H N 0.884 119.939 119.070 -0.024 0.000 2.549 430 H HA 0.065 4.620 4.556 -0.001 0.000 0.279 430 H C 1.933 177.209 175.328 -0.087 0.000 1.018 430 H CA 0.312 56.315 56.048 -0.075 0.000 1.175 430 H CB 0.734 30.416 29.762 -0.134 0.000 1.485 430 H HN 0.357 nan 8.280 nan 0.000 0.543 431 S N 0.143 115.857 115.700 0.024 0.000 2.419 431 S HA -0.079 4.391 4.470 -0.001 0.000 0.233 431 S C 0.921 175.521 174.600 -0.000 0.000 1.016 431 S CA 0.699 58.902 58.200 0.005 0.000 0.974 431 S CB 0.149 63.342 63.200 -0.012 0.000 0.786 431 S HN 0.072 nan 8.310 nan 0.000 0.492 432 K N 0.180 120.572 120.400 -0.014 0.000 2.221 432 K HA 0.447 4.767 4.320 -0.001 0.000 0.243 432 K C 0.987 177.567 176.600 -0.034 0.000 0.968 432 K CA -0.978 55.284 56.287 -0.042 0.000 0.846 432 K CB 0.698 33.148 32.500 -0.084 0.000 1.141 432 K HN 0.021 nan 8.250 nan 0.000 0.434 433 M N 0.273 119.808 119.600 -0.108 0.000 2.144 433 M HA -0.068 4.411 4.480 -0.001 0.000 0.260 433 M C 0.666 176.935 176.300 -0.051 0.000 1.067 433 M CA 1.221 56.478 55.300 -0.071 0.000 1.095 433 M CB -0.478 31.865 32.600 -0.427 0.000 1.365 433 M HN 0.181 nan 8.290 nan 0.000 0.406 434 V N 1.882 121.703 119.914 -0.155 0.000 2.427 434 V HA 0.093 4.213 4.120 -0.001 0.000 0.268 434 V C 0.308 176.352 176.094 -0.083 0.000 1.046 434 V CA -0.621 61.549 62.300 -0.215 0.000 0.970 434 V CB 0.869 32.476 31.823 -0.361 0.000 1.001 434 V HN -0.059 nan 8.190 nan 0.000 0.476 435 V N 6.066 126.001 119.914 0.035 0.000 2.686 435 V HA 0.321 4.441 4.120 -0.001 0.000 0.295 435 V C 0.150 176.302 176.094 0.098 0.000 1.055 435 V CA -0.041 62.307 62.300 0.081 0.000 1.050 435 V CB 1.223 33.135 31.823 0.150 0.000 0.984 435 V HN 0.958 nan 8.190 nan 0.000 0.482 436 Q N 1.709 121.542 119.800 0.055 0.000 2.462 436 Q HA 0.497 4.837 4.340 -0.001 0.000 0.285 436 Q C -1.479 174.568 176.000 0.078 0.000 1.035 436 Q CA -1.079 54.783 55.803 0.098 0.000 0.799 436 Q CB 2.556 31.364 28.738 0.117 0.000 1.452 436 Q HN 0.578 nan 8.270 nan 0.000 0.404 437 L N 1.713 122.992 121.223 0.093 0.000 2.455 437 L HA 0.394 4.733 4.340 -0.001 0.000 0.272 437 L C -0.409 176.470 176.870 0.015 0.000 1.174 437 L CA 0.640 55.507 54.840 0.045 0.000 0.869 437 L CB 0.724 42.757 42.059 -0.043 0.000 1.130 437 L HN 0.739 nan 8.230 nan 0.000 0.474 438 A N 5.150 127.966 122.820 -0.008 0.000 2.366 438 A HA 0.431 4.751 4.320 -0.001 0.000 0.249 438 A C -0.174 177.384 177.584 -0.045 0.000 1.084 438 A CA -0.227 51.796 52.037 -0.023 0.000 0.794 438 A CB 0.240 19.221 19.000 -0.032 0.000 1.034 438 A HN 0.778 nan 8.150 nan 0.000 0.491 439 Q N 0.666 120.443 119.800 -0.038 0.000 2.348 439 Q HA 0.510 4.850 4.340 -0.001 0.000 0.271 439 Q C -2.201 173.756 176.000 -0.071 0.000 1.067 439 Q CA -1.717 54.053 55.803 -0.055 0.000 0.839 439 Q CB 1.417 30.138 28.738 -0.029 0.000 1.354 439 Q HN 0.756 nan 8.270 nan 0.000 0.447 440 P HA 0.310 nan 4.420 nan 0.000 0.276 440 P C -1.434 175.764 177.300 -0.171 0.000 1.244 440 P CA -0.417 62.618 63.100 -0.107 0.000 0.801 440 P CB 0.918 32.557 31.700 -0.102 0.000 1.006 441 A N 0.635 123.378 122.820 -0.129 0.000 3.365 441 A HA 0.571 4.891 4.320 -0.001 0.000 0.258 441 A C 0.268 177.863 177.584 0.018 0.000 0.964 441 A CA -0.441 51.521 52.037 -0.124 0.000 0.988 441 A CB -0.301 18.677 19.000 -0.036 0.000 1.193 441 A HN 0.721 nan 8.150 nan 0.000 0.508 442 A N 0.269 123.071 122.820 -0.030 0.000 2.440 442 A HA 0.620 4.939 4.320 -0.001 0.000 0.251 442 A C -0.158 177.497 177.584 0.119 0.000 1.089 442 A CA 0.106 52.154 52.037 0.019 0.000 0.779 442 A CB 0.403 19.382 19.000 -0.035 0.000 1.022 442 A HN 0.986 nan 8.150 nan 0.000 0.492 443 V N 3.676 123.632 119.914 0.070 0.000 2.760 443 V HA 0.385 4.505 4.120 -0.001 0.000 0.309 443 V C 0.058 176.165 176.094 0.020 0.000 1.077 443 V CA -0.666 61.692 62.300 0.097 0.000 0.910 443 V CB 2.001 33.908 31.823 0.139 0.000 1.008 443 V HN 1.035 nan 8.190 nan 0.000 0.424 444 R N 2.674 123.172 120.500 -0.004 0.000 2.457 444 R HA 0.661 5.001 4.340 -0.001 0.000 0.284 444 R C -1.258 174.964 176.300 -0.130 0.000 1.024 444 R CA -0.400 55.608 56.100 -0.152 0.000 1.025 444 R CB 1.405 31.619 30.300 -0.144 0.000 1.063 444 R HN 0.771 nan 8.270 nan 0.000 0.493 445 Y N -1.151 118.948 120.300 -0.336 0.000 2.581 445 Y HA 0.701 5.250 4.550 -0.001 0.000 0.345 445 Y C -0.994 174.754 175.900 -0.254 0.000 1.036 445 Y CA -1.548 56.255 58.100 -0.494 0.000 1.042 445 Y CB 1.606 39.533 38.460 -0.888 0.000 1.289 445 Y HN 0.528 nan 8.280 nan 0.000 0.471 446 R N 2.140 122.718 120.500 0.131 0.000 2.536 446 R HA 0.404 4.743 4.340 -0.001 0.000 0.269 446 R C -1.395 175.048 176.300 0.239 0.000 1.113 446 R CA -0.773 55.441 56.100 0.189 0.000 0.948 446 R CB 1.502 31.802 30.300 -0.001 0.000 1.237 446 R HN 0.995 nan 8.270 nan 0.000 0.441 447 R N 3.103 123.698 120.500 0.158 0.000 2.523 447 R HA 0.007 4.347 4.340 -0.001 0.000 0.281 447 R C -0.021 176.189 176.300 -0.151 0.000 0.969 447 R CA 0.555 56.479 56.100 -0.293 0.000 1.093 447 R CB 0.387 30.523 30.300 -0.275 0.000 0.917 447 R HN 0.435 nan 8.270 nan 0.000 0.408 448 R N 1.465 121.861 120.500 -0.174 0.000 2.679 448 R HA 0.204 4.544 4.340 -0.001 0.000 0.268 448 R C 0.492 176.744 176.300 -0.079 0.000 1.044 448 R CA 1.099 57.148 56.100 -0.085 0.000 1.105 448 R CB 0.603 30.868 30.300 -0.058 0.000 0.989 448 R HN 0.820 nan 8.270 nan 0.000 0.447 449 T N 0.000 114.522 114.554 -0.053 0.000 3.816 449 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 449 T CA 0.000 nan 62.100 nan 0.000 1.349 449 T CB 0.000 nan 68.868 nan 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658