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 3be0_1_B DATA FIRST_RESID 8 DATA SEQUENCE TSLFTTADHY HTPLGPDGTP HAFFEALRDE AETTPIGWSE AYGGHWVVAG DATA SEQUENCE YKEIQAVIQN TKAFSNKGVT FPRYETGEFE LMMAGQDDPV HKKYRQLVAK DATA SEQUENCE PFSPEATDLF TEQLRQSTND LIDARIELGE GDAATWLANE IPARLTAILL DATA SEQUENCE GLPPEDGDTY RRWVWAITHV ENPEEGAEIF AELVAHARTL IAERRTNPGN DATA SEQUENCE DIMSRVIMSK IDGESLSEDD LIGFFTILLL GGIDATARFL SSVFWRLAWD DATA SEQUENCE IELRRRLIAH PELIPNAVDE LLRFYGPAMV GRLVTQEVTV GDITMKPGQT DATA SEQUENCE AMLWFPIASR DRSAFDSPDN IVIERTPNRH LSLGHGIHRC LGAHLIRVEA DATA SEQUENCE RVAITEFLKR IPEFSLDPNK ECEWLMGQVA GMLHVPIIFP KGKRLSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.750 174.700 0.084 0.000 1.109 8 T CA 0.000 62.137 62.100 0.062 0.000 1.349 8 T CB 0.000 68.896 68.868 0.046 0.000 0.612 9 S N 0.527 116.295 115.700 0.113 0.000 2.681 9 S HA 0.636 5.106 4.470 -0.000 0.000 0.270 9 S C 1.154 175.870 174.600 0.194 0.000 1.209 9 S CA -0.776 57.530 58.200 0.178 0.000 0.988 9 S CB 0.747 64.093 63.200 0.244 0.000 1.006 9 S HN 0.272 nan 8.310 nan 0.000 0.558 10 L N -0.506 120.845 121.223 0.214 0.000 2.509 10 L HA 0.193 4.533 4.340 -0.000 0.000 0.222 10 L C 1.499 178.406 176.870 0.061 0.000 1.123 10 L CA 0.334 55.242 54.840 0.113 0.000 0.856 10 L CB -0.383 41.671 42.059 -0.008 0.000 0.985 10 L HN 0.631 nan 8.230 nan 0.000 0.456 11 F N -0.491 119.441 119.950 -0.030 0.000 2.186 11 F HA -0.222 4.305 4.527 0.000 0.000 0.299 11 F C 2.718 178.481 175.800 -0.062 0.000 1.090 11 F CA 1.511 59.463 58.000 -0.080 0.000 1.307 11 F CB -1.173 37.791 39.000 -0.061 0.000 1.019 11 F HN -0.000 nan 8.300 nan 0.000 0.489 12 T N -0.573 114.095 114.554 0.190 0.000 2.693 12 T HA -0.323 4.027 4.350 -0.000 0.000 0.263 12 T C 1.690 176.399 174.700 0.014 0.000 1.046 12 T CA 2.645 64.800 62.100 0.091 0.000 1.160 12 T CB -0.524 68.401 68.868 0.094 0.000 0.853 12 T HN 0.426 nan 8.240 nan 0.000 0.462 13 T N -1.762 112.810 114.554 0.031 0.000 3.145 13 T HA 0.690 5.040 4.350 -0.000 0.000 0.281 13 T C 0.434 175.165 174.700 0.052 0.000 1.003 13 T CA 0.359 62.461 62.100 0.003 0.000 0.901 13 T CB 0.101 68.968 68.868 -0.002 0.000 1.112 13 T HN 0.483 nan 8.240 nan 0.000 0.535 14 A N 2.107 124.969 122.820 0.070 0.000 2.540 14 A HA 0.284 4.604 4.320 -0.000 0.000 0.268 14 A C 0.165 177.960 177.584 0.352 0.000 1.061 14 A CA 0.244 52.365 52.037 0.141 0.000 0.821 14 A CB -0.466 18.445 19.000 -0.147 0.000 0.970 14 A HN 0.508 nan 8.150 nan 0.000 0.524 15 D N 1.952 122.628 120.400 0.460 0.000 2.549 15 D HA 0.184 4.824 4.640 -0.000 0.000 0.251 15 D C 1.125 177.846 176.300 0.700 0.000 1.153 15 D CA -0.437 53.899 54.000 0.560 0.000 0.861 15 D CB 0.623 41.580 40.800 0.261 0.000 1.207 15 D HN 0.671 nan 8.370 nan 0.000 0.543 16 H N 2.743 122.252 119.070 0.731 0.000 2.547 16 H HA -0.057 4.498 4.556 -0.000 0.000 0.272 16 H C 0.051 175.543 175.328 0.274 0.000 0.989 16 H CA 0.484 56.774 56.048 0.404 0.000 1.214 16 H CB -0.004 29.767 29.762 0.016 0.000 1.389 16 H HN 0.387 nan 8.280 nan 0.000 0.577 17 Y N 1.077 121.321 120.300 -0.093 0.000 2.468 17 Y HA 0.206 4.756 4.550 0.000 0.000 0.268 17 Y C 0.089 175.743 175.900 -0.410 0.000 1.177 17 Y CA -0.288 57.684 58.100 -0.213 0.000 1.265 17 Y CB 0.310 38.623 38.460 -0.245 0.000 1.103 17 Y HN 0.316 nan 8.280 nan 0.000 0.522 18 H N -0.331 118.866 119.070 0.212 0.000 2.941 18 H HA 0.233 4.788 4.556 -0.001 0.000 0.291 18 H C -0.595 174.786 175.328 0.088 0.000 1.361 18 H CA -0.358 55.760 56.048 0.118 0.000 1.606 18 H CB 0.768 30.564 29.762 0.058 0.000 1.848 18 H HN 0.038 nan 8.280 nan 0.000 0.601 19 T N 0.104 114.746 114.554 0.147 0.000 2.797 19 T HA 0.385 4.735 4.350 -0.000 0.000 0.279 19 T C -2.750 171.819 174.700 -0.218 0.000 0.991 19 T CA -2.373 59.720 62.100 -0.012 0.000 0.979 19 T CB 2.215 71.239 68.868 0.260 0.000 0.943 19 T HN 0.034 nan 8.240 nan 0.000 0.444 20 P HA 0.099 nan 4.420 nan 0.000 0.257 20 P C -0.357 176.826 177.300 -0.196 0.000 1.189 20 P CA -0.031 62.846 63.100 -0.370 0.000 0.780 20 P CB 0.112 31.505 31.700 -0.511 0.000 0.772 21 L N 3.511 124.658 121.223 -0.127 0.000 2.361 21 L HA 0.211 4.551 4.340 -0.000 0.000 0.278 21 L C 1.554 178.361 176.870 -0.106 0.000 1.113 21 L CA -0.167 54.591 54.840 -0.138 0.000 0.849 21 L CB 0.318 42.320 42.059 -0.095 0.000 1.155 21 L HN 0.464 nan 8.230 nan 0.000 0.452 22 G N 4.218 112.944 108.800 -0.122 0.000 2.750 22 G HA2 0.086 4.046 3.960 -0.000 0.000 0.250 22 G HA3 0.086 4.046 3.960 -0.000 0.000 0.250 22 G C -1.305 173.559 174.900 -0.061 0.000 1.230 22 G CA -0.679 44.380 45.100 -0.067 0.000 0.883 22 G HN 0.567 nan 8.290 nan 0.000 0.573 23 P HA -0.071 nan 4.420 nan 0.000 0.220 23 P C 0.990 178.271 177.300 -0.031 0.000 1.152 23 P CA 1.575 64.657 63.100 -0.030 0.000 0.812 23 P CB 0.024 31.710 31.700 -0.023 0.000 0.792 24 D N -0.673 119.707 120.400 -0.034 0.000 2.263 24 D HA -0.029 4.611 4.640 -0.000 0.000 0.208 24 D C 1.580 177.895 176.300 0.026 0.000 0.971 24 D CA 1.645 55.640 54.000 -0.008 0.000 0.867 24 D CB -0.793 40.007 40.800 0.001 0.000 0.929 24 D HN 0.313 nan 8.370 nan 0.000 0.492 25 G N -0.906 107.852 108.800 -0.070 0.000 2.255 25 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.196 25 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.196 25 G C 0.429 175.118 174.900 -0.352 0.000 0.998 25 G CA 0.174 45.186 45.100 -0.147 0.000 0.656 25 G HN 0.851 nan 8.290 nan 0.000 0.490 26 T N -1.270 113.025 114.554 -0.431 0.000 2.940 26 T HA 0.747 5.097 4.350 -0.000 0.000 0.288 26 T C -1.881 172.463 174.700 -0.594 0.000 1.033 26 T CA -1.212 60.415 62.100 -0.788 0.000 1.033 26 T CB 3.106 71.618 68.868 -0.593 0.000 1.079 26 T HN -0.013 nan 8.240 nan 0.000 0.496 27 P HA 0.138 nan 4.420 nan 0.000 0.255 27 P C 0.366 177.156 177.300 -0.849 0.000 1.357 27 P CA 0.210 62.898 63.100 -0.688 0.000 0.839 27 P CB -0.279 30.991 31.700 -0.717 0.000 1.356 28 H N 0.416 119.106 119.070 -0.634 0.000 2.428 28 H HA 0.061 4.617 4.556 -0.000 0.000 0.296 28 H C 2.250 177.502 175.328 -0.126 0.000 1.062 28 H CA 1.669 57.489 56.048 -0.381 0.000 1.350 28 H CB -0.725 28.929 29.762 -0.181 0.000 1.403 28 H HN 0.142 nan 8.280 nan 0.000 0.533 29 A N 0.658 123.491 122.820 0.022 0.000 1.865 29 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 29 A C 2.144 179.793 177.584 0.108 0.000 1.191 29 A CA 1.638 53.718 52.037 0.071 0.000 0.623 29 A CB -1.090 17.944 19.000 0.057 0.000 0.826 29 A HN 0.423 nan 8.150 nan 0.000 0.444 30 F N 0.039 119.959 119.950 -0.050 0.000 2.120 30 F HA -0.200 4.326 4.527 -0.002 0.000 0.300 30 F C 2.065 177.972 175.800 0.179 0.000 1.095 30 F CA 1.450 59.469 58.000 0.032 0.000 1.249 30 F CB -0.587 38.417 39.000 0.008 0.000 0.995 30 F HN 0.300 nan 8.300 nan 0.000 0.480 31 F N 0.491 120.372 119.950 -0.115 0.000 2.102 31 F HA -0.235 4.293 4.527 0.001 0.000 0.298 31 F C 2.469 178.158 175.800 -0.185 0.000 1.105 31 F CA 1.207 59.085 58.000 -0.204 0.000 1.239 31 F CB -0.619 38.266 39.000 -0.191 0.000 0.991 31 F HN 0.017 nan 8.300 nan 0.000 0.474 32 E N 0.494 120.759 120.200 0.108 0.000 2.118 32 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 32 E C 2.242 178.844 176.600 0.003 0.000 0.992 32 E CA 0.914 57.350 56.400 0.060 0.000 0.804 32 E CB -0.207 29.546 29.700 0.088 0.000 0.741 32 E HN 0.391 nan 8.360 nan 0.000 0.458 33 A N 1.158 123.957 122.820 -0.034 0.000 1.832 33 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 33 A C 2.163 179.661 177.584 -0.143 0.000 1.200 33 A CA 1.056 53.051 52.037 -0.069 0.000 0.610 33 A CB -0.763 18.202 19.000 -0.060 0.000 0.842 33 A HN 0.219 nan 8.150 nan 0.000 0.444 34 L N 0.056 121.088 121.223 -0.318 0.000 2.081 34 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 34 L C 2.578 179.321 176.870 -0.210 0.000 1.080 34 L CA 2.312 56.918 54.840 -0.391 0.000 0.754 34 L CB -0.586 41.075 42.059 -0.663 0.000 0.893 34 L HN 0.492 nan 8.230 nan 0.000 0.433 35 R N 0.003 120.422 120.500 -0.136 0.000 2.082 35 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 35 R C 1.854 178.148 176.300 -0.010 0.000 1.136 35 R CA 2.272 58.341 56.100 -0.053 0.000 0.935 35 R CB -1.184 29.102 30.300 -0.023 0.000 0.842 35 R HN 0.432 nan 8.270 nan 0.000 0.430 36 D N 0.585 120.981 120.400 -0.007 0.000 2.203 36 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 36 D C 1.747 178.064 176.300 0.028 0.000 0.997 36 D CA 1.510 55.520 54.000 0.016 0.000 0.863 36 D CB -0.028 40.782 40.800 0.016 0.000 0.928 36 D HN 0.549 nan 8.370 nan 0.000 0.458 37 E N 0.250 120.466 120.200 0.027 0.000 2.051 37 E HA -0.012 4.338 4.350 -0.000 0.000 0.189 37 E C 1.867 178.537 176.600 0.116 0.000 0.979 37 E CA 0.558 57.003 56.400 0.075 0.000 0.803 37 E CB 0.031 29.794 29.700 0.104 0.000 0.761 37 E HN 0.104 nan 8.360 nan 0.000 0.451 38 A N 1.060 123.961 122.820 0.134 0.000 2.272 38 A HA -0.167 4.153 4.320 -0.000 0.000 0.213 38 A C 1.431 179.070 177.584 0.091 0.000 1.183 38 A CA 0.947 53.082 52.037 0.163 0.000 0.719 38 A CB -0.544 18.555 19.000 0.165 0.000 0.771 38 A HN 0.346 nan 8.150 nan 0.000 0.484 39 E N -0.765 119.476 120.200 0.068 0.000 2.427 39 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 39 E C 1.387 178.011 176.600 0.039 0.000 1.028 39 E CA 1.265 57.697 56.400 0.052 0.000 0.864 39 E CB -0.015 29.712 29.700 0.045 0.000 0.813 39 E HN 0.825 nan 8.360 nan 0.000 0.514 40 T N -3.710 110.867 114.554 0.038 0.000 2.993 40 T HA 0.075 4.425 4.350 -0.000 0.000 0.260 40 T C 0.991 175.689 174.700 -0.002 0.000 0.939 40 T CA -0.245 61.865 62.100 0.018 0.000 0.886 40 T CB 0.678 69.557 68.868 0.019 0.000 1.209 40 T HN -0.152 nan 8.240 nan 0.000 0.518 41 T N 2.942 117.500 114.554 0.006 0.000 3.624 41 T HA 0.345 4.695 4.350 -0.000 0.000 0.244 41 T C -2.235 172.430 174.700 -0.057 0.000 1.063 41 T CA -0.800 61.256 62.100 -0.073 0.000 1.252 41 T CB 0.951 69.736 68.868 -0.138 0.000 1.021 41 T HN -0.018 nan 8.240 nan 0.000 0.590 42 P HA -0.116 nan 4.420 nan 0.000 0.221 42 P C 0.067 177.401 177.300 0.057 0.000 1.151 42 P CA 1.467 64.594 63.100 0.044 0.000 0.843 42 P CB 0.152 31.854 31.700 0.003 0.000 0.778 43 I N -3.706 116.813 120.570 -0.085 0.000 2.994 43 I HA 0.607 4.777 4.170 -0.000 0.000 0.306 43 I C 0.150 176.034 176.117 -0.389 0.000 1.195 43 I CA -0.923 60.333 61.300 -0.073 0.000 1.001 43 I CB 2.614 40.551 38.000 -0.106 0.000 1.244 43 I HN -0.220 nan 8.210 nan 0.000 0.437 44 G N 1.689 110.368 108.800 -0.201 0.000 2.660 44 G HA2 0.328 4.288 3.960 -0.000 0.000 0.290 44 G HA3 0.328 4.288 3.960 -0.000 0.000 0.290 44 G C -2.480 172.702 174.900 0.470 0.000 1.432 44 G CA -0.504 44.445 45.100 -0.252 0.000 0.807 44 G HN 0.600 nan 8.290 nan 0.000 0.485 45 W N 1.211 122.623 121.300 0.186 0.000 2.438 45 W HA 0.693 5.353 4.660 0.000 0.000 0.324 45 W C -0.604 175.867 176.519 -0.080 0.000 1.119 45 W CA -0.488 56.803 57.345 -0.090 0.000 1.221 45 W CB 1.990 31.309 29.460 -0.235 0.000 1.253 45 W HN 0.558 nan 8.180 nan 0.000 0.555 46 S N 2.766 117.792 115.700 -1.122 0.000 2.568 46 S HA 0.232 4.702 4.470 -0.000 0.000 0.293 46 S C 0.589 174.571 174.600 -1.029 0.000 1.089 46 S CA -0.501 57.210 58.200 -0.815 0.000 0.945 46 S CB 1.816 64.610 63.200 -0.676 0.000 1.077 46 S HN 0.597 nan 8.310 nan 0.000 0.485 47 E N 1.719 121.640 120.200 -0.465 0.000 2.122 47 E HA 0.151 4.501 4.350 -0.000 0.000 0.190 47 E C 0.961 177.419 176.600 -0.237 0.000 0.977 47 E CA 0.486 56.725 56.400 -0.268 0.000 0.820 47 E CB -0.451 29.189 29.700 -0.099 0.000 0.770 47 E HN 0.733 nan 8.360 nan 0.000 0.462 48 A N 1.064 123.753 122.820 -0.217 0.000 2.580 48 A HA -0.069 4.251 4.320 -0.000 0.000 0.244 48 A C -0.579 176.998 177.584 -0.011 0.000 1.045 48 A CA 0.341 52.258 52.037 -0.201 0.000 0.761 48 A CB -0.980 17.957 19.000 -0.104 0.000 0.962 48 A HN 0.410 nan 8.150 nan 0.000 0.512 49 Y N 0.389 120.696 120.300 0.012 0.000 3.380 49 Y HA -0.217 4.333 4.550 -0.000 0.000 0.211 49 Y C 1.675 177.591 175.900 0.027 0.000 1.394 49 Y CA 1.079 59.169 58.100 -0.017 0.000 1.479 49 Y CB -1.681 36.751 38.460 -0.046 0.000 1.483 49 Y HN 2.243 nan 8.280 nan 0.000 0.566 50 G N -1.615 107.237 108.800 0.086 0.000 2.396 50 G HA2 0.101 4.061 3.960 -0.000 0.000 0.242 50 G HA3 0.101 4.061 3.960 -0.000 0.000 0.242 50 G C 0.787 175.743 174.900 0.094 0.000 1.069 50 G CA 0.653 45.813 45.100 0.099 0.000 0.633 50 G HN 2.212 nan 8.290 nan 0.000 0.517 51 G N -0.819 107.953 108.800 -0.047 0.000 3.313 51 G HA2 0.652 4.612 3.960 -0.000 0.000 0.659 51 G HA3 0.652 4.612 3.960 -0.000 0.000 0.659 51 G C -0.695 173.704 174.900 -0.835 0.000 1.286 51 G CA 0.449 45.204 45.100 -0.574 0.000 1.077 51 G HN 2.418 nan 8.290 nan 0.000 0.551 52 H N -1.183 117.141 119.070 -1.243 0.000 2.942 52 H HA 0.806 5.362 4.556 -0.000 0.000 0.316 52 H C -0.853 173.956 175.328 -0.864 0.000 1.323 52 H CA -1.733 53.836 56.048 -0.798 0.000 1.144 52 H CB 0.679 30.291 29.762 -0.249 0.000 1.866 52 H HN 0.582 nan 8.280 nan 0.000 0.545 53 W N 0.205 121.560 121.300 0.091 0.000 2.449 53 W HA 0.604 5.264 4.660 -0.001 0.000 0.331 53 W C -0.941 175.683 176.519 0.175 0.000 1.119 53 W CA -0.972 56.450 57.345 0.128 0.000 1.240 53 W CB 1.902 31.457 29.460 0.158 0.000 1.251 53 W HN 0.345 nan 8.180 nan 0.000 0.576 54 V N 3.209 123.385 119.914 0.436 0.000 2.378 54 V HA 0.217 4.337 4.120 -0.000 0.000 0.288 54 V C -0.262 175.971 176.094 0.231 0.000 1.016 54 V CA -0.985 61.425 62.300 0.183 0.000 0.840 54 V CB 1.296 33.057 31.823 -0.104 0.000 0.994 54 V HN 0.366 nan 8.190 nan 0.000 0.431 55 V N 3.947 123.940 119.914 0.132 0.000 2.169 55 V HA 0.281 4.401 4.120 -0.000 0.000 0.271 55 V C 1.444 177.591 176.094 0.088 0.000 1.372 55 V CA 0.348 62.705 62.300 0.095 0.000 1.348 55 V CB 0.239 32.065 31.823 0.004 0.000 1.379 55 V HN 0.964 nan 8.190 nan 0.000 0.491 56 A N 1.873 124.754 122.820 0.102 0.000 2.125 56 A HA 0.196 4.516 4.320 -0.000 0.000 0.219 56 A C 1.543 179.186 177.584 0.098 0.000 1.156 56 A CA 1.018 53.091 52.037 0.061 0.000 0.671 56 A CB -0.262 18.714 19.000 -0.040 0.000 0.794 56 A HN 0.773 nan 8.150 nan 0.000 0.459 57 G N -2.727 106.134 108.800 0.102 0.000 2.467 57 G HA2 0.297 4.256 3.960 -0.000 0.000 0.257 57 G HA3 0.297 4.256 3.960 -0.000 0.000 0.257 57 G C 0.378 175.365 174.900 0.145 0.000 1.227 57 G CA -0.144 45.023 45.100 0.111 0.000 0.835 57 G HN 0.281 nan 8.290 nan 0.000 0.556 58 Y N 1.403 121.736 120.300 0.055 0.000 2.220 58 Y HA -0.054 4.497 4.550 0.001 0.000 0.291 58 Y C 2.638 178.550 175.900 0.019 0.000 1.129 58 Y CA 2.030 60.168 58.100 0.064 0.000 1.161 58 Y CB 0.096 38.616 38.460 0.100 0.000 0.997 58 Y HN 0.599 nan 8.280 nan 0.000 0.522 59 K N -0.074 120.306 120.400 -0.033 0.000 2.103 59 K HA -0.169 4.150 4.320 -0.000 0.000 0.204 59 K C 1.682 178.207 176.600 -0.125 0.000 1.052 59 K CA 1.706 57.915 56.287 -0.130 0.000 0.945 59 K CB -0.006 32.473 32.500 -0.036 0.000 0.722 59 K HN 0.174 nan 8.250 nan 0.000 0.443 60 E N 1.280 121.440 120.200 -0.065 0.000 2.017 60 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 60 E C 1.939 178.475 176.600 -0.107 0.000 0.997 60 E CA 1.506 57.863 56.400 -0.071 0.000 0.804 60 E CB -0.256 29.422 29.700 -0.037 0.000 0.757 60 E HN 0.310 nan 8.360 nan 0.000 0.448 61 I N 1.059 121.575 120.570 -0.089 0.000 2.118 61 I HA -0.390 3.780 4.170 -0.000 0.000 0.241 61 I C 2.447 178.474 176.117 -0.150 0.000 1.070 61 I CA 1.508 62.743 61.300 -0.110 0.000 1.327 61 I CB -0.467 37.523 38.000 -0.016 0.000 1.034 61 I HN 0.221 nan 8.210 nan 0.000 0.405 62 Q N 0.618 120.300 119.800 -0.197 0.000 2.045 62 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 62 Q C 2.050 177.974 176.000 -0.127 0.000 0.991 62 Q CA 1.816 57.498 55.803 -0.202 0.000 0.851 62 Q CB -0.393 28.142 28.738 -0.338 0.000 0.911 62 Q HN 0.572 nan 8.270 nan 0.000 0.418 63 A N 0.331 123.080 122.820 -0.120 0.000 2.215 63 A HA 0.117 4.437 4.320 -0.000 0.000 0.208 63 A C 1.451 178.997 177.584 -0.064 0.000 1.296 63 A CA 0.455 52.453 52.037 -0.064 0.000 0.918 63 A CB -0.076 18.893 19.000 -0.051 0.000 0.806 63 A HN 0.183 nan 8.150 nan 0.000 0.490 64 V N -1.767 118.047 119.914 -0.166 0.000 3.141 64 V HA 0.089 4.209 4.120 -0.000 0.000 0.225 64 V C 1.874 177.722 176.094 -0.410 0.000 1.352 64 V CA 0.541 62.582 62.300 -0.431 0.000 1.316 64 V CB -0.233 31.221 31.823 -0.616 0.000 1.126 64 V HN 0.559 nan 8.190 nan 0.000 0.493 65 I N 0.198 120.627 120.570 -0.235 0.000 2.454 65 I HA -0.271 3.899 4.170 -0.000 0.000 0.254 65 I C 2.379 178.488 176.117 -0.012 0.000 1.156 65 I CA 1.656 62.883 61.300 -0.123 0.000 1.433 65 I CB 0.183 38.176 38.000 -0.011 0.000 1.082 65 I HN 0.445 nan 8.210 nan 0.000 0.432 66 Q N -0.023 119.786 119.800 0.016 0.000 2.062 66 Q HA -0.166 4.174 4.340 -0.000 0.000 0.196 66 Q C 0.994 177.052 176.000 0.096 0.000 0.967 66 Q CA 0.807 56.650 55.803 0.068 0.000 0.832 66 Q CB -0.248 28.527 28.738 0.061 0.000 0.899 66 Q HN 0.345 nan 8.270 nan 0.000 0.442 67 N N 1.596 120.380 118.700 0.140 0.000 2.484 67 N HA -0.071 4.669 4.740 -0.000 0.000 0.295 67 N C 0.419 176.065 175.510 0.227 0.000 1.240 67 N CA 0.342 53.512 53.050 0.200 0.000 1.085 67 N CB 0.284 38.957 38.487 0.309 0.000 1.465 67 N HN 0.159 nan 8.380 nan 0.000 0.496 68 T N -0.735 113.900 114.554 0.134 0.000 3.139 68 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 68 T C 1.540 176.284 174.700 0.073 0.000 1.164 68 T CA 0.769 62.937 62.100 0.113 0.000 1.075 68 T CB -0.056 68.865 68.868 0.089 0.000 0.904 68 T HN 0.307 nan 8.240 nan 0.000 0.540 69 K N 2.401 122.827 120.400 0.045 0.000 2.063 69 K HA 0.414 4.734 4.320 -0.000 0.000 0.204 69 K C 2.236 178.777 176.600 -0.098 0.000 1.039 69 K CA 1.168 57.443 56.287 -0.019 0.000 0.957 69 K CB -1.001 31.483 32.500 -0.027 0.000 0.764 69 K HN 0.257 nan 8.250 nan 0.000 0.447 70 A N -0.486 122.196 122.820 -0.229 0.000 2.238 70 A HA 0.274 4.594 4.320 -0.000 0.000 0.208 70 A C -0.205 176.928 177.584 -0.753 0.000 1.177 70 A CA 0.015 51.746 52.037 -0.509 0.000 0.804 70 A CB -0.394 18.190 19.000 -0.692 0.000 0.823 70 A HN 0.219 nan 8.150 nan 0.000 0.482 71 F N -0.916 119.020 119.950 -0.023 0.000 2.507 71 F HA 0.568 5.096 4.527 0.000 0.000 0.325 71 F C 0.380 176.152 175.800 -0.047 0.000 1.116 71 F CA -0.627 57.350 58.000 -0.039 0.000 0.930 71 F CB 2.083 41.050 39.000 -0.055 0.000 1.146 71 F HN -0.093 nan 8.300 nan 0.000 0.447 72 S N 1.324 117.093 115.700 0.114 0.000 2.513 72 S HA 0.334 4.804 4.470 -0.000 0.000 0.299 72 S C 0.295 174.886 174.600 -0.015 0.000 1.087 72 S CA -0.640 57.582 58.200 0.038 0.000 1.012 72 S CB 1.081 64.295 63.200 0.023 0.000 1.044 72 S HN 0.697 nan 8.310 nan 0.000 0.485 73 N N 1.821 120.480 118.700 -0.068 0.000 2.521 73 N HA 0.017 4.757 4.740 -0.000 0.000 0.188 73 N C 1.493 176.959 175.510 -0.073 0.000 1.146 73 N CA 0.281 53.248 53.050 -0.139 0.000 0.893 73 N CB 0.009 38.365 38.487 -0.218 0.000 0.975 73 N HN 0.725 nan 8.380 nan 0.000 0.451 74 K N -0.845 119.539 120.400 -0.027 0.000 2.585 74 K HA -0.004 4.316 4.320 -0.000 0.000 0.194 74 K C 1.068 177.658 176.600 -0.017 0.000 1.037 74 K CA 1.179 57.460 56.287 -0.010 0.000 0.964 74 K CB 0.096 32.603 32.500 0.010 0.000 0.787 74 K HN 0.047 nan 8.250 nan 0.000 0.488 75 G N 0.556 109.334 108.800 -0.037 0.000 3.735 75 G HA2 0.045 4.005 3.960 -0.000 0.000 0.283 75 G HA3 0.045 4.005 3.960 -0.000 0.000 0.283 75 G C 0.765 175.607 174.900 -0.096 0.000 1.007 75 G CA -0.240 44.841 45.100 -0.031 0.000 0.821 75 G HN 0.114 nan 8.290 nan 0.000 0.505 76 V N 1.890 121.722 119.914 -0.136 0.000 2.219 76 V HA -0.082 4.038 4.120 -0.000 0.000 0.248 76 V C 1.923 177.888 176.094 -0.214 0.000 1.053 76 V CA 2.644 64.829 62.300 -0.192 0.000 1.009 76 V CB -0.467 31.241 31.823 -0.192 0.000 0.636 76 V HN 0.475 nan 8.190 nan 0.000 0.445 77 T N -1.225 113.160 114.554 -0.280 0.000 2.897 77 T HA 0.442 4.792 4.350 -0.000 0.000 0.294 77 T C -0.933 173.703 174.700 -0.107 0.000 1.004 77 T CA -0.195 61.636 62.100 -0.449 0.000 1.106 77 T CB 1.226 69.470 68.868 -1.039 0.000 0.949 77 T HN 0.618 nan 8.240 nan 0.000 0.520 78 F N 2.760 122.573 119.950 -0.228 0.000 2.775 78 F HA 0.428 4.955 4.527 -0.001 0.000 0.339 78 F C -3.155 172.475 175.800 -0.283 0.000 1.159 78 F CA -2.005 55.869 58.000 -0.210 0.000 1.145 78 F CB 1.248 40.123 39.000 -0.207 0.000 1.408 78 F HN 0.432 nan 8.300 nan 0.000 0.597 79 P HA 0.061 nan 4.420 nan 0.000 0.260 79 P C -0.295 176.894 177.300 -0.184 0.000 1.207 79 P CA 0.067 62.743 63.100 -0.708 0.000 0.780 79 P CB 0.301 31.539 31.700 -0.770 0.000 0.789 80 R N 3.821 124.260 120.500 -0.103 0.000 2.466 80 R HA -0.162 4.178 4.340 -0.000 0.000 0.272 80 R C -0.287 176.115 176.300 0.169 0.000 0.924 80 R CA 0.950 57.049 56.100 -0.002 0.000 1.107 80 R CB -0.240 30.055 30.300 -0.008 0.000 0.853 80 R HN 0.378 nan 8.270 nan 0.000 0.430 81 Y N 1.812 122.105 120.300 -0.011 0.000 2.480 81 Y HA -0.040 4.510 4.550 -0.000 0.000 0.338 81 Y C 1.487 177.321 175.900 -0.111 0.000 1.220 81 Y CA -0.458 57.626 58.100 -0.026 0.000 1.430 81 Y CB 0.422 38.866 38.460 -0.027 0.000 1.311 81 Y HN 0.544 nan 8.280 nan 0.000 0.575 82 E N 0.876 121.056 120.200 -0.032 0.000 2.357 82 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 82 E C 0.624 176.933 176.600 -0.484 0.000 1.177 82 E CA 0.050 56.328 56.400 -0.203 0.000 0.998 82 E CB -1.024 28.552 29.700 -0.207 0.000 1.106 82 E HN 0.575 nan 8.360 nan 0.000 0.470 83 T N -1.402 112.882 114.554 -0.451 0.000 3.989 83 T HA 0.219 4.569 4.350 -0.000 0.000 0.258 83 T C 1.131 175.355 174.700 -0.794 0.000 1.089 83 T CA 0.153 61.763 62.100 -0.817 0.000 0.968 83 T CB -1.221 67.544 68.868 -0.173 0.000 1.114 83 T HN 0.321 nan 8.240 nan 0.000 0.622 84 G N 1.824 110.138 108.800 -0.810 0.000 2.578 84 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.284 84 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.284 84 G C 0.141 174.906 174.900 -0.225 0.000 1.283 84 G CA 0.216 45.199 45.100 -0.194 0.000 0.944 84 G HN 0.537 nan 8.290 nan 0.000 0.558 85 E N 0.381 120.273 120.200 -0.513 0.000 2.304 85 E HA 0.479 4.829 4.350 -0.000 0.000 0.212 85 E C -0.352 175.793 176.600 -0.759 0.000 1.185 85 E CA -0.117 55.933 56.400 -0.582 0.000 1.326 85 E CB -0.397 28.988 29.700 -0.525 0.000 1.283 85 E HN 0.349 nan 8.360 nan 0.000 0.440 86 F N -0.645 119.331 119.950 0.043 0.000 2.540 86 F HA 0.448 4.975 4.527 -0.000 0.000 0.317 86 F C 0.777 176.585 175.800 0.014 0.000 1.104 86 F CA -1.220 56.812 58.000 0.053 0.000 0.913 86 F CB 1.380 40.453 39.000 0.121 0.000 1.170 86 F HN -0.168 nan 8.300 nan 0.000 0.450 87 E N 1.482 121.776 120.200 0.158 0.000 2.405 87 E HA 0.207 4.557 4.350 -0.000 0.000 0.253 87 E C 0.510 177.144 176.600 0.056 0.000 1.257 87 E CA -0.678 55.766 56.400 0.074 0.000 0.960 87 E CB 0.678 30.405 29.700 0.047 0.000 1.077 87 E HN 0.495 nan 8.360 nan 0.000 0.512 88 L N 0.515 121.746 121.223 0.014 0.000 2.240 88 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 88 L C 0.503 177.314 176.870 -0.098 0.000 1.106 88 L CA 0.778 55.611 54.840 -0.012 0.000 0.793 88 L CB -0.941 41.110 42.059 -0.013 0.000 0.927 88 L HN 0.750 nan 8.230 nan 0.000 0.446 89 M N -1.179 118.339 119.600 -0.137 0.000 4.046 89 M HA -0.248 4.232 4.480 -0.000 0.000 0.157 89 M C 0.561 176.753 176.300 -0.180 0.000 1.532 89 M CA 0.464 55.578 55.300 -0.311 0.000 1.097 89 M CB -0.522 31.682 32.600 -0.660 0.000 1.346 89 M HN 0.370 nan 8.290 nan 0.000 0.191 90 M N 0.534 120.126 119.600 -0.013 0.000 2.814 90 M HA -0.388 4.092 4.480 -0.000 0.000 0.150 90 M C 1.096 177.500 176.300 0.174 0.000 0.693 90 M CA 2.503 57.906 55.300 0.171 0.000 0.575 90 M CB -2.132 30.514 32.600 0.077 0.000 2.110 90 M HN 1.257 nan 8.290 nan 0.000 0.260 91 A N -0.095 122.781 122.820 0.093 0.000 1.975 91 A HA 0.351 4.671 4.320 -0.000 0.000 0.215 91 A C 2.098 179.718 177.584 0.061 0.000 1.170 91 A CA 1.829 53.935 52.037 0.116 0.000 0.656 91 A CB -0.803 18.218 19.000 0.036 0.000 0.821 91 A HN 0.767 nan 8.150 nan 0.000 0.449 92 G N -0.622 108.199 108.800 0.034 0.000 2.464 92 G HA2 0.149 4.109 3.960 -0.000 0.000 0.217 92 G HA3 0.149 4.109 3.960 -0.000 0.000 0.217 92 G C 0.794 175.724 174.900 0.051 0.000 1.138 92 G CA 0.705 45.817 45.100 0.020 0.000 0.793 92 G HN 0.644 nan 8.290 nan 0.000 0.539 93 Q N 0.803 120.664 119.800 0.103 0.000 2.351 93 Q HA 0.421 4.761 4.340 -0.000 0.000 0.273 93 Q C -1.549 174.528 176.000 0.128 0.000 1.077 93 Q CA -0.787 55.087 55.803 0.119 0.000 0.843 93 Q CB 1.908 30.742 28.738 0.160 0.000 1.367 93 Q HN 0.040 nan 8.270 nan 0.000 0.449 94 D N 0.774 121.237 120.400 0.105 0.000 2.466 94 D HA 0.261 4.901 4.640 -0.000 0.000 0.262 94 D C -0.451 175.935 176.300 0.144 0.000 1.177 94 D CA -0.296 53.764 54.000 0.100 0.000 1.035 94 D CB 0.795 41.640 40.800 0.076 0.000 1.105 94 D HN 0.416 nan 8.370 nan 0.000 0.551 95 D N 0.633 121.122 120.400 0.149 0.000 2.362 95 D HA 0.064 4.704 4.640 -0.000 0.000 0.242 95 D C -0.910 175.431 176.300 0.068 0.000 1.132 95 D CA -0.821 53.257 54.000 0.130 0.000 0.907 95 D CB 0.920 41.792 40.800 0.120 0.000 1.195 95 D HN 0.186 nan 8.370 nan 0.000 0.429 96 P HA -0.077 nan 4.420 nan 0.000 0.220 96 P C 1.487 178.777 177.300 -0.018 0.000 1.152 96 P CA 0.470 63.575 63.100 0.007 0.000 0.812 96 P CB 0.308 31.998 31.700 -0.016 0.000 0.792 97 V N 1.119 121.023 119.914 -0.017 0.000 2.313 97 V HA -0.324 3.796 4.120 -0.000 0.000 0.253 97 V C 2.782 178.869 176.094 -0.011 0.000 1.070 97 V CA 2.251 64.503 62.300 -0.081 0.000 1.057 97 V CB -1.742 30.098 31.823 0.028 0.000 0.653 97 V HN 0.355 nan 8.190 nan 0.000 0.450 98 H N 0.948 120.023 119.070 0.008 0.000 2.325 98 H HA -0.255 4.301 4.556 -0.000 0.000 0.296 98 H C 2.553 177.884 175.328 0.005 0.000 1.053 98 H CA 2.355 58.421 56.048 0.030 0.000 1.204 98 H CB -0.146 29.607 29.762 -0.015 0.000 1.383 98 H HN 0.356 nan 8.280 nan 0.000 0.532 99 K N 0.764 121.010 120.400 -0.257 0.000 2.127 99 K HA -0.244 4.076 4.320 -0.000 0.000 0.212 99 K C 2.405 178.899 176.600 -0.176 0.000 1.050 99 K CA 2.228 58.344 56.287 -0.286 0.000 0.929 99 K CB -0.094 32.336 32.500 -0.118 0.000 0.715 99 K HN 0.270 nan 8.250 nan 0.000 0.457 100 K N -0.671 119.648 120.400 -0.136 0.000 2.025 100 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 100 K C 2.141 178.719 176.600 -0.036 0.000 1.049 100 K CA 1.910 58.120 56.287 -0.128 0.000 0.933 100 K CB -0.208 32.154 32.500 -0.230 0.000 0.714 100 K HN 0.318 nan 8.250 nan 0.000 0.438 101 Y N 0.183 120.511 120.300 0.045 0.000 2.293 101 Y HA -0.190 4.360 4.550 -0.000 0.000 0.291 101 Y C 2.592 178.586 175.900 0.158 0.000 1.137 101 Y CA 0.702 58.902 58.100 0.166 0.000 1.202 101 Y CB 0.078 38.639 38.460 0.169 0.000 0.990 101 Y HN 0.074 nan 8.280 nan 0.000 0.537 102 R N 0.992 121.576 120.500 0.140 0.000 2.066 102 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 102 R C 1.322 177.661 176.300 0.065 0.000 1.131 102 R CA 1.393 57.525 56.100 0.053 0.000 0.955 102 R CB -0.240 29.962 30.300 -0.163 0.000 0.851 102 R HN 0.305 nan 8.270 nan 0.000 0.432 103 Q N 0.277 120.091 119.800 0.023 0.000 2.285 103 Q HA -0.046 4.294 4.340 -0.000 0.000 0.191 103 Q C 0.598 176.626 176.000 0.046 0.000 0.860 103 Q CA 0.279 56.095 55.803 0.022 0.000 1.015 103 Q CB 0.148 28.882 28.738 -0.006 0.000 1.118 103 Q HN 0.456 nan 8.270 nan 0.000 0.455 104 L N -1.684 119.584 121.223 0.076 0.000 3.017 104 L HA 0.060 4.399 4.340 -0.000 0.000 0.265 104 L C 1.019 177.890 176.870 0.002 0.000 1.128 104 L CA 0.105 54.964 54.840 0.032 0.000 0.984 104 L CB 1.124 43.206 42.059 0.038 0.000 1.464 104 L HN 0.134 nan 8.230 nan 0.000 0.556 105 V N -5.293 114.668 119.914 0.077 0.000 3.276 105 V HA 0.471 4.590 4.120 -0.000 0.000 0.319 105 V C 1.562 177.801 176.094 0.242 0.000 1.476 105 V CA 0.411 62.804 62.300 0.156 0.000 1.097 105 V CB 0.209 32.160 31.823 0.214 0.000 0.988 105 V HN 0.072 nan 8.190 nan 0.000 0.473 106 A N 1.363 124.268 122.820 0.142 0.000 1.898 106 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 106 A C 2.165 179.824 177.584 0.124 0.000 1.181 106 A CA 2.153 54.267 52.037 0.127 0.000 0.620 106 A CB -0.347 18.688 19.000 0.059 0.000 0.819 106 A HN 0.594 nan 8.150 nan 0.000 0.442 107 K N -0.024 120.424 120.400 0.079 0.000 1.969 107 K HA -0.137 4.183 4.320 -0.000 0.000 0.216 107 K C -0.863 175.752 176.600 0.025 0.000 1.048 107 K CA 1.801 58.112 56.287 0.041 0.000 0.948 107 K CB -1.023 31.488 32.500 0.019 0.000 0.726 107 K HN 0.379 nan 8.250 nan 0.000 0.442 108 P HA -0.138 nan 4.420 nan 0.000 0.231 108 P C 0.237 177.372 177.300 -0.275 0.000 1.158 108 P CA 1.074 64.101 63.100 -0.121 0.000 0.763 108 P CB -0.046 31.564 31.700 -0.152 0.000 0.805 109 F N 0.834 120.782 119.950 -0.003 0.000 2.837 109 F HA 0.160 4.687 4.527 -0.000 0.000 0.298 109 F C 1.155 176.949 175.800 -0.010 0.000 1.161 109 F CA -0.339 57.659 58.000 -0.004 0.000 1.353 109 F CB -0.078 38.928 39.000 0.011 0.000 0.951 109 F HN -0.113 nan 8.300 nan 0.000 0.508 110 S N -0.638 115.091 115.700 0.049 0.000 2.621 110 S HA 0.424 4.894 4.470 -0.000 0.000 0.302 110 S C -1.884 172.646 174.600 -0.118 0.000 1.093 110 S CA -1.611 56.591 58.200 0.002 0.000 1.017 110 S CB 1.763 64.962 63.200 -0.002 0.000 1.077 110 S HN -0.026 nan 8.310 nan 0.000 0.517 111 P HA -0.066 nan 4.420 nan 0.000 0.238 111 P C 0.130 177.246 177.300 -0.307 0.000 1.175 111 P CA 1.015 63.768 63.100 -0.578 0.000 0.757 111 P CB 0.066 31.469 31.700 -0.496 0.000 0.839 112 E N 0.251 120.359 120.200 -0.154 0.000 2.121 112 E HA 0.173 4.523 4.350 -0.000 0.000 0.194 112 E C 2.285 178.856 176.600 -0.049 0.000 0.940 112 E CA 0.879 57.230 56.400 -0.081 0.000 0.884 112 E CB -1.086 28.585 29.700 -0.049 0.000 0.874 112 E HN 0.047 nan 8.360 nan 0.000 0.471 113 A N 0.704 123.500 122.820 -0.041 0.000 2.066 113 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 113 A C 1.960 179.565 177.584 0.035 0.000 1.157 113 A CA 1.668 53.704 52.037 -0.001 0.000 0.670 113 A CB -0.756 18.232 19.000 -0.021 0.000 0.804 113 A HN 0.304 nan 8.150 nan 0.000 0.453 114 T N -4.160 110.363 114.554 -0.052 0.000 3.312 114 T HA 0.280 4.630 4.350 -0.000 0.000 0.251 114 T C 0.258 174.964 174.700 0.009 0.000 1.012 114 T CA 0.683 62.747 62.100 -0.061 0.000 0.925 114 T CB 0.073 68.879 68.868 -0.103 0.000 1.049 114 T HN 0.215 nan 8.240 nan 0.000 0.583 115 D N -0.355 120.072 120.400 0.044 0.000 2.486 115 D HA 0.277 4.917 4.640 -0.000 0.000 0.243 115 D C 1.370 177.727 176.300 0.095 0.000 1.146 115 D CA -0.106 53.928 54.000 0.056 0.000 0.821 115 D CB 0.291 41.074 40.800 -0.028 0.000 1.201 115 D HN 0.365 nan 8.370 nan 0.000 0.525 116 L N 0.161 121.455 121.223 0.120 0.000 2.627 116 L HA 0.194 4.533 4.340 -0.000 0.000 0.233 116 L C 0.718 177.558 176.870 -0.050 0.000 1.144 116 L CA 0.299 55.156 54.840 0.028 0.000 0.892 116 L CB -0.129 41.912 42.059 -0.030 0.000 1.039 116 L HN 0.033 nan 8.230 nan 0.000 0.442 117 F N -0.953 118.987 119.950 -0.018 0.000 2.694 117 F HA 0.051 4.578 4.527 -0.000 0.000 0.292 117 F C 2.269 178.072 175.800 0.005 0.000 1.121 117 F CA 0.167 58.162 58.000 -0.009 0.000 1.352 117 F CB -0.361 38.632 39.000 -0.012 0.000 1.107 117 F HN -0.065 nan 8.300 nan 0.000 0.597 118 T N 0.552 115.214 114.554 0.180 0.000 2.212 118 T HA -0.355 3.995 4.350 -0.000 0.000 0.200 118 T C 1.790 176.540 174.700 0.084 0.000 1.643 118 T CA 2.222 64.391 62.100 0.116 0.000 1.063 118 T CB -0.549 68.367 68.868 0.081 0.000 0.833 118 T HN 0.156 nan 8.240 nan 0.000 0.418 119 E N 0.784 121.012 120.200 0.047 0.000 2.048 119 E HA -0.190 4.160 4.350 -0.000 0.000 0.202 119 E C 2.312 178.933 176.600 0.035 0.000 1.021 119 E CA 1.163 57.580 56.400 0.028 0.000 0.825 119 E CB -0.683 29.020 29.700 0.004 0.000 0.756 119 E HN 0.443 nan 8.360 nan 0.000 0.454 120 Q N 0.199 120.017 119.800 0.030 0.000 2.325 120 Q HA -0.168 4.172 4.340 -0.000 0.000 0.211 120 Q C 2.033 178.087 176.000 0.089 0.000 0.988 120 Q CA 0.850 56.680 55.803 0.044 0.000 0.887 120 Q CB -0.177 28.573 28.738 0.020 0.000 0.915 120 Q HN 0.214 nan 8.270 nan 0.000 0.440 121 L N -0.303 120.983 121.223 0.105 0.000 2.269 121 L HA 0.098 4.438 4.340 -0.000 0.000 0.200 121 L C 2.162 179.067 176.870 0.059 0.000 1.069 121 L CA 1.035 55.933 54.840 0.097 0.000 0.804 121 L CB -0.320 41.808 42.059 0.116 0.000 0.987 121 L HN 0.004 nan 8.230 nan 0.000 0.468 122 R N -0.555 119.976 120.500 0.053 0.000 2.395 122 R HA -0.158 4.182 4.340 -0.000 0.000 0.202 122 R C 1.628 177.941 176.300 0.022 0.000 1.088 122 R CA 1.168 57.289 56.100 0.036 0.000 1.090 122 R CB 0.019 30.339 30.300 0.033 0.000 0.876 122 R HN 0.671 nan 8.270 nan 0.000 0.477 123 Q N -1.802 118.013 119.800 0.025 0.000 2.652 123 Q HA 0.054 4.394 4.340 -0.000 0.000 0.211 123 Q C 1.688 177.696 176.000 0.012 0.000 0.858 123 Q CA 0.452 56.265 55.803 0.015 0.000 0.895 123 Q CB -0.319 28.429 28.738 0.017 0.000 1.194 123 Q HN 0.157 nan 8.270 nan 0.000 0.645 124 S N 0.017 115.729 115.700 0.021 0.000 2.407 124 S HA -0.199 4.271 4.470 -0.000 0.000 0.235 124 S C 1.594 176.190 174.600 -0.007 0.000 1.036 124 S CA 1.997 60.206 58.200 0.016 0.000 1.013 124 S CB -0.573 62.645 63.200 0.030 0.000 0.820 124 S HN 0.649 nan 8.310 nan 0.000 0.476 125 T N 2.600 117.150 114.554 -0.007 0.000 2.614 125 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 125 T C 1.622 176.295 174.700 -0.045 0.000 1.055 125 T CA 1.430 63.511 62.100 -0.032 0.000 1.162 125 T CB -0.622 68.244 68.868 -0.004 0.000 0.863 125 T HN 0.422 nan 8.240 nan 0.000 0.414 126 N N 1.359 120.046 118.700 -0.022 0.000 2.651 126 N HA -0.067 4.673 4.740 -0.000 0.000 0.193 126 N C 0.982 176.483 175.510 -0.014 0.000 1.149 126 N CA 0.809 53.844 53.050 -0.024 0.000 0.933 126 N CB -0.275 38.202 38.487 -0.017 0.000 0.974 126 N HN 0.522 nan 8.380 nan 0.000 0.448 127 D N -0.153 120.242 120.400 -0.009 0.000 2.355 127 D HA 0.124 4.764 4.640 -0.000 0.000 0.233 127 D C 1.956 178.270 176.300 0.024 0.000 0.997 127 D CA 0.190 54.197 54.000 0.012 0.000 0.920 127 D CB -0.131 40.679 40.800 0.017 0.000 1.063 127 D HN 0.022 nan 8.370 nan 0.000 0.465 128 L N 0.819 122.036 121.223 -0.010 0.000 2.270 128 L HA -0.181 4.159 4.340 -0.000 0.000 0.217 128 L C 2.057 178.929 176.870 0.003 0.000 1.107 128 L CA 0.739 55.566 54.840 -0.020 0.000 0.772 128 L CB -0.522 41.444 42.059 -0.155 0.000 0.902 128 L HN 0.159 nan 8.230 nan 0.000 0.439 129 I N 0.269 120.811 120.570 -0.046 0.000 2.206 129 I HA -0.195 3.975 4.170 -0.000 0.000 0.239 129 I C 1.369 177.583 176.117 0.163 0.000 1.078 129 I CA 0.930 62.237 61.300 0.012 0.000 1.367 129 I CB -0.409 37.552 38.000 -0.064 0.000 1.078 129 I HN 0.326 nan 8.210 nan 0.000 0.413 130 D N 1.673 122.125 120.400 0.085 0.000 2.941 130 D HA 0.064 4.704 4.640 -0.000 0.000 0.236 130 D C 0.520 176.896 176.300 0.126 0.000 1.147 130 D CA 0.373 54.428 54.000 0.091 0.000 0.975 130 D CB 0.306 41.133 40.800 0.044 0.000 1.162 130 D HN 0.336 nan 8.370 nan 0.000 0.444 131 A N 0.472 123.420 122.820 0.213 0.000 2.701 131 A HA 0.242 4.562 4.320 -0.000 0.000 0.241 131 A C 1.416 179.128 177.584 0.214 0.000 1.231 131 A CA -0.487 51.674 52.037 0.206 0.000 1.003 131 A CB 0.646 19.790 19.000 0.239 0.000 1.281 131 A HN 0.186 nan 8.150 nan 0.000 0.600 132 R N -1.370 119.293 120.500 0.272 0.000 2.359 132 R HA 0.199 4.539 4.340 -0.000 0.000 0.242 132 R C 1.082 177.570 176.300 0.314 0.000 0.809 132 R CA 0.395 56.570 56.100 0.125 0.000 1.067 132 R CB -0.397 29.712 30.300 -0.319 0.000 1.693 132 R HN 0.435 nan 8.270 nan 0.000 0.451 133 I N 1.777 122.558 120.570 0.351 0.000 2.657 133 I HA -0.185 3.985 4.170 -0.000 0.000 0.261 133 I C 0.956 177.286 176.117 0.356 0.000 1.212 133 I CA 1.697 63.177 61.300 0.301 0.000 1.453 133 I CB 0.252 38.304 38.000 0.087 0.000 1.092 133 I HN 0.173 nan 8.210 nan 0.000 0.452 134 E N -0.016 120.314 120.200 0.218 0.000 2.474 134 E HA 0.068 4.418 4.350 -0.000 0.000 0.195 134 E C 1.537 178.180 176.600 0.071 0.000 1.039 134 E CA 0.029 56.508 56.400 0.132 0.000 0.881 134 E CB 0.402 30.148 29.700 0.077 0.000 0.970 134 E HN 0.544 nan 8.360 nan 0.000 0.486 135 L N -0.831 120.428 121.223 0.059 0.000 2.616 135 L HA 0.235 4.575 4.340 -0.000 0.000 0.229 135 L C 1.517 178.247 176.870 -0.232 0.000 1.110 135 L CA 0.507 55.300 54.840 -0.079 0.000 0.884 135 L CB 0.244 42.228 42.059 -0.125 0.000 1.115 135 L HN 0.282 nan 8.230 nan 0.000 0.481 136 G N 1.056 109.626 108.800 -0.383 0.000 2.267 136 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 136 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 136 G C 0.176 174.074 174.900 -1.671 0.000 0.998 136 G CA 0.900 45.423 45.100 -0.961 0.000 0.620 136 G HN 0.518 nan 8.290 nan 0.000 0.529 137 E N -2.163 117.428 120.200 -1.014 0.000 2.315 137 E HA 0.759 5.109 4.350 -0.000 0.000 0.256 137 E C 0.137 176.571 176.600 -0.277 0.000 1.148 137 E CA 0.062 56.145 56.400 -0.528 0.000 0.898 137 E CB 0.335 29.851 29.700 -0.306 0.000 1.708 137 E HN 1.854 nan 8.360 nan 0.000 0.473 138 G N -0.607 108.101 108.800 -0.154 0.000 2.356 138 G HA2 0.321 4.281 3.960 -0.000 0.000 0.300 138 G HA3 0.321 4.281 3.960 -0.000 0.000 0.300 138 G C -1.864 173.062 174.900 0.042 0.000 1.331 138 G CA -0.454 44.470 45.100 -0.293 0.000 0.905 138 G HN 0.589 nan 8.290 nan 0.000 0.587 139 D N 0.853 121.320 120.400 0.112 0.000 2.479 139 D HA 0.491 5.131 4.640 -0.000 0.000 0.218 139 D C 1.603 178.155 176.300 0.420 0.000 1.131 139 D CA 0.407 54.562 54.000 0.258 0.000 0.916 139 D CB 1.025 41.946 40.800 0.202 0.000 1.022 139 D HN 0.727 nan 8.370 nan 0.000 0.515 140 A N 3.466 126.539 122.820 0.422 0.000 2.104 140 A HA -0.199 4.121 4.320 -0.000 0.000 0.223 140 A C 1.981 179.638 177.584 0.121 0.000 1.164 140 A CA 2.106 54.268 52.037 0.208 0.000 0.659 140 A CB -0.114 18.925 19.000 0.065 0.000 0.808 140 A HN 0.588 nan 8.150 nan 0.000 0.465 141 A N -1.007 121.904 122.820 0.152 0.000 1.911 141 A HA 0.143 4.463 4.320 -0.000 0.000 0.212 141 A C 1.868 179.464 177.584 0.021 0.000 1.189 141 A CA 1.731 53.807 52.037 0.065 0.000 0.639 141 A CB -0.551 18.443 19.000 -0.011 0.000 0.839 141 A HN 0.862 nan 8.150 nan 0.000 0.449 142 T N -6.361 108.224 114.554 0.052 0.000 3.256 142 T HA 0.352 4.702 4.350 -0.000 0.000 0.249 142 T C -0.167 174.654 174.700 0.201 0.000 0.975 142 T CA 0.197 62.330 62.100 0.055 0.000 1.011 142 T CB -0.309 68.555 68.868 -0.006 0.000 1.127 142 T HN 0.710 nan 8.240 nan 0.000 0.543 143 W N 0.865 122.149 121.300 -0.027 0.000 0.903 143 W HA 0.416 5.075 4.660 -0.001 0.000 0.154 143 W C -0.610 175.887 176.519 -0.038 0.000 0.665 143 W CA -0.498 56.834 57.345 -0.022 0.000 0.570 143 W CB 0.072 29.528 29.460 -0.007 0.000 0.751 143 W HN 0.282 nan 8.180 nan 0.000 0.413 144 L N -0.651 120.407 121.223 -0.276 0.000 2.455 144 L HA 0.358 4.698 4.340 -0.000 0.000 0.138 144 L C 2.313 179.120 176.870 -0.105 0.000 1.398 144 L CA 0.582 55.182 54.840 -0.399 0.000 0.998 144 L CB -1.167 40.430 42.059 -0.770 0.000 1.985 144 L HN -0.225 nan 8.230 nan 0.000 0.493 145 A N 1.116 123.956 122.820 0.034 0.000 1.894 145 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 145 A C 1.856 179.439 177.584 -0.002 0.000 1.237 145 A CA 2.919 54.992 52.037 0.060 0.000 0.660 145 A CB -1.021 18.019 19.000 0.067 0.000 0.835 145 A HN 0.587 nan 8.150 nan 0.000 0.461 146 N N -0.245 118.450 118.700 -0.009 0.000 2.013 146 N HA -0.125 4.615 4.740 -0.000 0.000 0.195 146 N C 1.678 177.186 175.510 -0.004 0.000 1.051 146 N CA 1.603 54.647 53.050 -0.011 0.000 0.851 146 N CB -0.436 38.042 38.487 -0.015 0.000 1.044 146 N HN 0.519 nan 8.380 nan 0.000 0.422 147 E N 0.294 120.488 120.200 -0.011 0.000 2.268 147 E HA -0.041 4.309 4.350 -0.000 0.000 0.195 147 E C 2.039 178.637 176.600 -0.004 0.000 0.995 147 E CA 0.257 56.655 56.400 -0.005 0.000 0.836 147 E CB -0.058 29.639 29.700 -0.006 0.000 0.763 147 E HN 0.455 nan 8.360 nan 0.000 0.491 148 I N 1.539 122.099 120.570 -0.017 0.000 2.252 148 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 148 I C -0.556 175.569 176.117 0.013 0.000 1.102 148 I CA 0.986 62.283 61.300 -0.005 0.000 1.385 148 I CB -1.093 36.902 38.000 -0.009 0.000 1.064 148 I HN 0.049 nan 8.210 nan 0.000 0.414 149 P HA 0.007 nan 4.420 nan 0.000 0.226 149 P C 1.408 178.724 177.300 0.026 0.000 1.161 149 P CA 1.145 64.257 63.100 0.021 0.000 0.804 149 P CB 0.205 31.921 31.700 0.026 0.000 0.829 150 A N 1.410 124.251 122.820 0.035 0.000 1.858 150 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 150 A C 2.464 180.098 177.584 0.083 0.000 1.190 150 A CA 1.557 53.632 52.037 0.064 0.000 0.617 150 A CB -1.186 17.851 19.000 0.062 0.000 0.827 150 A HN 0.061 nan 8.150 nan 0.000 0.443 151 R N -1.072 119.468 120.500 0.067 0.000 2.062 151 R HA -0.067 4.273 4.340 -0.000 0.000 0.231 151 R C 2.193 178.531 176.300 0.062 0.000 1.136 151 R CA 1.319 57.465 56.100 0.077 0.000 0.948 151 R CB -0.683 29.653 30.300 0.061 0.000 0.845 151 R HN 0.515 nan 8.270 nan 0.000 0.430 152 L N 1.075 122.320 121.223 0.037 0.000 2.051 152 L HA -0.211 4.129 4.340 -0.000 0.000 0.214 152 L C 1.763 178.603 176.870 -0.049 0.000 1.076 152 L CA 2.039 56.877 54.840 -0.003 0.000 0.758 152 L CB -0.882 41.166 42.059 -0.019 0.000 0.890 152 L HN 0.084 nan 8.230 nan 0.000 0.433 153 T N 0.180 114.724 114.554 -0.016 0.000 2.639 153 T HA -0.088 4.262 4.350 -0.000 0.000 0.261 153 T C 1.964 176.657 174.700 -0.012 0.000 1.053 153 T CA 1.637 63.723 62.100 -0.024 0.000 1.158 153 T CB -0.814 68.043 68.868 -0.018 0.000 0.863 153 T HN 0.573 nan 8.240 nan 0.000 0.413 154 A N 1.331 124.164 122.820 0.021 0.000 1.969 154 A HA -0.214 4.106 4.320 -0.000 0.000 0.223 154 A C 2.158 179.786 177.584 0.074 0.000 1.218 154 A CA 1.984 54.056 52.037 0.058 0.000 0.667 154 A CB -1.063 18.048 19.000 0.185 0.000 0.826 154 A HN 0.439 nan 8.150 nan 0.000 0.472 155 I N -0.231 120.381 120.570 0.070 0.000 2.361 155 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 155 I C 2.308 178.462 176.117 0.062 0.000 1.133 155 I CA 1.077 62.434 61.300 0.094 0.000 1.413 155 I CB -0.452 37.638 38.000 0.151 0.000 1.073 155 I HN 0.339 nan 8.210 nan 0.000 0.424 156 L N -0.943 120.264 121.223 -0.027 0.000 2.131 156 L HA -0.077 4.263 4.340 -0.000 0.000 0.206 156 L C 1.949 178.836 176.870 0.028 0.000 1.087 156 L CA 0.963 55.765 54.840 -0.062 0.000 0.767 156 L CB -0.537 41.431 42.059 -0.153 0.000 0.917 156 L HN 0.170 nan 8.230 nan 0.000 0.441 157 L N -0.036 121.228 121.223 0.068 0.000 2.592 157 L HA 0.293 4.633 4.340 -0.000 0.000 0.227 157 L C 0.796 177.743 176.870 0.130 0.000 1.127 157 L CA 0.055 54.978 54.840 0.138 0.000 0.884 157 L CB -0.579 41.605 42.059 0.209 0.000 1.065 157 L HN 0.349 nan 8.230 nan 0.000 0.457 158 G N 1.881 110.741 108.800 0.100 0.000 2.487 158 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.243 158 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.243 158 G C -0.951 174.021 174.900 0.121 0.000 0.918 158 G CA -0.296 44.864 45.100 0.100 0.000 1.260 158 G HN 0.115 nan 8.290 nan 0.000 0.408 159 L N 3.134 124.443 121.223 0.143 0.000 2.465 159 L HA 0.618 4.958 4.340 -0.000 0.000 0.257 159 L C -2.355 174.651 176.870 0.227 0.000 0.988 159 L CA -2.163 52.800 54.840 0.204 0.000 0.827 159 L CB 2.141 44.343 42.059 0.238 0.000 1.397 159 L HN 0.058 nan 8.230 nan 0.000 0.410 160 P HA 0.066 nan 4.420 nan 0.000 0.257 160 P C -2.050 175.359 177.300 0.182 0.000 1.189 160 P CA -0.583 62.617 63.100 0.166 0.000 0.780 160 P CB 0.168 31.944 31.700 0.128 0.000 0.772 161 P HA -0.197 nan 4.420 nan 0.000 0.219 161 P C 1.352 178.685 177.300 0.054 0.000 1.146 161 P CA 1.204 64.377 63.100 0.121 0.000 0.808 161 P CB -0.104 31.651 31.700 0.092 0.000 0.779 162 E N -0.350 119.862 120.200 0.020 0.000 2.204 162 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 162 E C 0.195 176.731 176.600 -0.106 0.000 0.989 162 E CA 1.058 57.442 56.400 -0.026 0.000 0.824 162 E CB -1.062 28.630 29.700 -0.013 0.000 0.756 162 E HN 0.297 nan 8.360 nan 0.000 0.477 163 D N 1.636 121.918 120.400 -0.196 0.000 2.845 163 D HA 0.145 4.785 4.640 -0.000 0.000 0.235 163 D C 0.970 176.828 176.300 -0.736 0.000 1.158 163 D CA 0.230 53.972 54.000 -0.429 0.000 0.990 163 D CB 0.429 40.935 40.800 -0.488 0.000 1.094 163 D HN 0.303 nan 8.370 nan 0.000 0.486 164 G N 1.171 109.740 108.800 -0.385 0.000 2.454 164 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.214 164 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.214 164 G C 1.179 175.892 174.900 -0.312 0.000 1.217 164 G CA 0.290 45.218 45.100 -0.287 0.000 0.799 164 G HN 0.211 nan 8.290 nan 0.000 0.538 165 D N 0.197 120.450 120.400 -0.244 0.000 2.203 165 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 165 D C 2.652 178.762 176.300 -0.316 0.000 0.997 165 D CA 1.637 55.507 54.000 -0.216 0.000 0.863 165 D CB -0.187 40.513 40.800 -0.167 0.000 0.928 165 D HN 0.289 nan 8.370 nan 0.000 0.458 166 T N -0.160 114.112 114.554 -0.471 0.000 2.643 166 T HA -0.190 4.160 4.350 -0.000 0.000 0.264 166 T C 1.502 175.635 174.700 -0.944 0.000 1.045 166 T CA 1.125 62.832 62.100 -0.655 0.000 1.155 166 T CB -0.555 67.874 68.868 -0.731 0.000 0.863 166 T HN 0.166 nan 8.240 nan 0.000 0.420 167 Y N 1.583 121.412 120.300 -0.784 0.000 2.207 167 Y HA -0.023 4.527 4.550 -0.000 0.000 0.287 167 Y C 2.617 178.289 175.900 -0.379 0.000 1.156 167 Y CA 0.344 57.997 58.100 -0.745 0.000 1.182 167 Y CB -0.796 37.462 38.460 -0.338 0.000 0.979 167 Y HN 0.080 nan 8.280 nan 0.000 0.521 168 R N -0.068 120.356 120.500 -0.125 0.000 2.092 168 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 168 R C 2.448 178.761 176.300 0.021 0.000 1.119 168 R CA 1.228 57.312 56.100 -0.026 0.000 0.970 168 R CB -0.339 29.933 30.300 -0.047 0.000 0.864 168 R HN 0.237 nan 8.270 nan 0.000 0.440 169 R N -0.055 120.385 120.500 -0.100 0.000 2.096 169 R HA -0.204 4.136 4.340 -0.000 0.000 0.240 169 R C 1.411 177.886 176.300 0.292 0.000 1.139 169 R CA 1.924 58.040 56.100 0.027 0.000 0.952 169 R CB -0.242 30.010 30.300 -0.080 0.000 0.854 169 R HN 0.261 nan 8.270 nan 0.000 0.436 170 W N 0.165 121.551 121.300 0.143 0.000 2.335 170 W HA -0.126 4.534 4.660 0.000 0.000 0.311 170 W C 2.273 178.884 176.519 0.153 0.000 1.213 170 W CA 0.283 57.713 57.345 0.140 0.000 1.274 170 W CB -1.278 28.234 29.460 0.087 0.000 1.148 170 W HN -0.017 nan 8.180 nan 0.000 0.498 171 V N -0.283 119.833 119.914 0.338 0.000 2.287 171 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 171 V C 1.997 178.186 176.094 0.159 0.000 1.053 171 V CA 2.158 64.573 62.300 0.192 0.000 1.027 171 V CB -1.144 30.755 31.823 0.126 0.000 0.646 171 V HN 0.272 nan 8.190 nan 0.000 0.447 172 W N 0.948 122.271 121.300 0.040 0.000 2.305 172 W HA -0.343 4.317 4.660 -0.001 0.000 0.308 172 W C 2.350 178.882 176.519 0.021 0.000 1.226 172 W CA 2.681 60.037 57.345 0.017 0.000 1.253 172 W CB -0.385 29.090 29.460 0.024 0.000 1.146 172 W HN 0.219 nan 8.180 nan 0.000 0.507 173 A N -0.224 122.690 122.820 0.157 0.000 1.929 173 A HA -0.093 4.226 4.320 -0.000 0.000 0.216 173 A C 2.014 179.539 177.584 -0.100 0.000 1.176 173 A CA 1.644 53.676 52.037 -0.008 0.000 0.628 173 A CB -0.845 18.301 19.000 0.243 0.000 0.816 173 A HN 0.386 nan 8.150 nan 0.000 0.444 174 I N -0.125 120.420 120.570 -0.041 0.000 2.252 174 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 174 I C 1.792 177.621 176.117 -0.480 0.000 1.102 174 I CA 1.476 62.671 61.300 -0.176 0.000 1.385 174 I CB -0.769 37.183 38.000 -0.080 0.000 1.064 174 I HN 0.174 nan 8.210 nan 0.000 0.414 175 T N 0.540 114.833 114.554 -0.435 0.000 3.179 175 T HA -0.236 4.114 4.350 -0.000 0.000 0.269 175 T C 1.186 175.749 174.700 -0.229 0.000 1.187 175 T CA 1.099 62.923 62.100 -0.459 0.000 1.054 175 T CB -0.725 67.977 68.868 -0.276 0.000 0.874 175 T HN 0.462 nan 8.240 nan 0.000 0.568 176 H N -0.990 117.864 119.070 -0.360 0.000 4.188 176 H HA -0.199 4.357 4.556 0.000 0.000 0.157 176 H C 0.013 175.184 175.328 -0.263 0.000 0.845 176 H CA 1.056 56.973 56.048 -0.219 0.000 1.246 176 H CB -1.908 27.816 29.762 -0.063 0.000 0.933 176 H HN 0.313 nan 8.280 nan 0.000 0.413 177 V N 4.512 124.265 119.914 -0.268 0.000 2.832 177 V HA -0.198 3.922 4.120 -0.000 0.000 0.284 177 V C 1.354 177.194 176.094 -0.423 0.000 0.997 177 V CA 1.663 63.711 62.300 -0.420 0.000 1.196 177 V CB -0.716 30.489 31.823 -1.030 0.000 0.832 177 V HN 0.503 nan 8.190 nan 0.000 0.453 178 E N 4.675 124.773 120.200 -0.170 0.000 2.556 178 E HA 0.063 4.413 4.350 -0.000 0.000 0.273 178 E C 0.165 176.693 176.600 -0.121 0.000 1.123 178 E CA 0.153 56.468 56.400 -0.141 0.000 1.033 178 E CB 0.301 29.996 29.700 -0.009 0.000 1.025 178 E HN 0.698 nan 8.360 nan 0.000 0.465 179 N N -0.323 118.338 118.700 -0.065 0.000 4.200 179 N HA 0.099 4.839 4.740 -0.000 0.000 0.224 179 N C -2.871 172.640 175.510 0.000 0.000 1.298 179 N CA -1.037 52.021 53.050 0.013 0.000 0.795 179 N CB 0.565 39.087 38.487 0.059 0.000 1.495 179 N HN 0.243 nan 8.380 nan 0.000 0.442 180 P HA 0.099 nan 4.420 nan 0.000 0.288 180 P C -1.038 176.265 177.300 0.004 0.000 1.448 180 P CA 0.860 63.969 63.100 0.016 0.000 0.764 180 P CB -0.159 31.560 31.700 0.031 0.000 1.472 181 E N -0.944 119.246 120.200 -0.017 0.000 2.305 181 E HA -0.164 4.186 4.350 -0.000 0.000 0.242 181 E C 0.167 176.769 176.600 0.003 0.000 1.143 181 E CA 0.427 56.807 56.400 -0.033 0.000 0.716 181 E CB -1.776 27.902 29.700 -0.037 0.000 1.255 181 E HN 0.279 nan 8.360 nan 0.000 0.391 182 E N -1.326 118.893 120.200 0.032 0.000 2.474 182 E HA 0.187 4.537 4.350 -0.000 0.000 0.195 182 E C 1.786 178.437 176.600 0.086 0.000 1.039 182 E CA 0.758 57.208 56.400 0.084 0.000 0.881 182 E CB 0.153 29.939 29.700 0.143 0.000 0.970 182 E HN 0.415 nan 8.360 nan 0.000 0.486 183 G N 0.172 108.975 108.800 0.004 0.000 2.586 183 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.215 183 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.215 183 G C 1.242 176.166 174.900 0.039 0.000 1.128 183 G CA 0.938 46.020 45.100 -0.031 0.000 0.774 183 G HN 0.365 nan 8.290 nan 0.000 0.543 184 A N 0.204 123.062 122.820 0.064 0.000 1.983 184 A HA 0.299 4.619 4.320 -0.000 0.000 0.207 184 A C 1.897 179.571 177.584 0.151 0.000 1.412 184 A CA 1.101 53.207 52.037 0.115 0.000 0.750 184 A CB -0.319 18.718 19.000 0.062 0.000 1.047 184 A HN 0.281 nan 8.150 nan 0.000 0.504 185 E N 0.073 120.338 120.200 0.109 0.000 2.284 185 E HA -0.218 4.132 4.350 -0.000 0.000 0.200 185 E C 1.500 178.169 176.600 0.115 0.000 1.008 185 E CA 1.561 58.022 56.400 0.101 0.000 0.829 185 E CB -0.187 29.566 29.700 0.087 0.000 0.744 185 E HN 0.696 nan 8.360 nan 0.000 0.491 186 I N -0.598 120.066 120.570 0.156 0.000 2.810 186 I HA -0.084 4.086 4.170 -0.000 0.000 0.262 186 I C 2.025 178.221 176.117 0.131 0.000 1.131 186 I CA 0.086 61.497 61.300 0.186 0.000 1.453 186 I CB -0.194 37.973 38.000 0.277 0.000 1.161 186 I HN 0.080 nan 8.210 nan 0.000 0.444 187 F N 2.361 122.323 119.950 0.019 0.000 2.333 187 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 187 F C 2.266 177.992 175.800 -0.124 0.000 1.083 187 F CA 1.067 59.038 58.000 -0.049 0.000 1.395 187 F CB -0.095 38.911 39.000 0.011 0.000 1.056 187 F HN -0.008 nan 8.300 nan 0.000 0.529 188 A N 0.104 122.876 122.820 -0.079 0.000 2.014 188 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 188 A C 2.087 179.509 177.584 -0.271 0.000 1.163 188 A CA 1.401 53.355 52.037 -0.139 0.000 0.652 188 A CB -0.662 18.356 19.000 0.029 0.000 0.808 188 A HN 0.539 nan 8.150 nan 0.000 0.449 189 E N -0.460 119.570 120.200 -0.284 0.000 2.204 189 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 189 E C 1.907 178.025 176.600 -0.803 0.000 0.989 189 E CA 1.006 57.215 56.400 -0.318 0.000 0.824 189 E CB -0.185 29.456 29.700 -0.098 0.000 0.756 189 E HN 0.704 nan 8.360 nan 0.000 0.477 190 L N 0.250 120.731 121.223 -1.237 0.000 2.049 190 L HA -0.064 4.276 4.340 -0.000 0.000 0.203 190 L C 2.410 178.757 176.870 -0.872 0.000 1.074 190 L CA 0.683 54.544 54.840 -1.632 0.000 0.749 190 L CB -0.224 40.940 42.059 -1.491 0.000 0.907 190 L HN -0.031 nan 8.230 nan 0.000 0.439 191 V N 0.435 119.844 119.914 -0.842 0.000 2.453 191 V HA -0.320 3.800 4.120 -0.000 0.000 0.252 191 V C 2.621 178.505 176.094 -0.351 0.000 1.068 191 V CA 1.846 63.785 62.300 -0.602 0.000 1.070 191 V CB -0.471 31.044 31.823 -0.512 0.000 0.664 191 V HN 0.637 nan 8.190 nan 0.000 0.461 192 A N -1.085 121.568 122.820 -0.278 0.000 1.835 192 A HA -0.257 4.063 4.320 -0.000 0.000 0.215 192 A C 2.044 179.599 177.584 -0.048 0.000 1.199 192 A CA 2.002 53.980 52.037 -0.098 0.000 0.615 192 A CB -1.134 17.871 19.000 0.009 0.000 0.838 192 A HN 0.739 nan 8.150 nan 0.000 0.444 193 H N -0.745 118.181 119.070 -0.239 0.000 2.387 193 H HA -0.117 4.439 4.556 0.000 0.000 0.299 193 H C 2.440 177.592 175.328 -0.293 0.000 1.099 193 H CA 0.889 56.848 56.048 -0.149 0.000 1.315 193 H CB -0.024 29.755 29.762 0.028 0.000 1.380 193 H HN 0.567 nan 8.280 nan 0.000 0.513 194 A N 1.271 123.904 122.820 -0.312 0.000 1.969 194 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 194 A C 2.377 179.732 177.584 -0.381 0.000 1.169 194 A CA 0.813 52.484 52.037 -0.610 0.000 0.635 194 A CB -0.155 18.566 19.000 -0.464 0.000 0.810 194 A HN 0.253 nan 8.150 nan 0.000 0.445 195 R N -0.906 119.446 120.500 -0.247 0.000 2.057 195 R HA -0.060 4.280 4.340 -0.000 0.000 0.229 195 R C 2.247 178.461 176.300 -0.143 0.000 1.136 195 R CA 1.774 57.773 56.100 -0.168 0.000 0.952 195 R CB -1.167 29.064 30.300 -0.115 0.000 0.848 195 R HN 0.500 nan 8.270 nan 0.000 0.430 196 T N 2.429 116.904 114.554 -0.132 0.000 2.720 196 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 196 T C 1.852 176.478 174.700 -0.124 0.000 1.037 196 T CA 1.176 63.206 62.100 -0.116 0.000 1.144 196 T CB -0.166 68.622 68.868 -0.135 0.000 0.864 196 T HN 0.176 nan 8.240 nan 0.000 0.444 197 L N 0.155 121.277 121.223 -0.168 0.000 2.179 197 L HA 0.175 4.515 4.340 -0.000 0.000 0.208 197 L C 2.101 178.874 176.870 -0.162 0.000 1.096 197 L CA 0.971 55.712 54.840 -0.165 0.000 0.779 197 L CB -0.185 41.739 42.059 -0.226 0.000 0.922 197 L HN 0.231 nan 8.230 nan 0.000 0.443 198 I N 0.018 120.471 120.570 -0.196 0.000 2.700 198 I HA -0.230 3.940 4.170 -0.000 0.000 0.261 198 I C 2.418 178.482 176.117 -0.088 0.000 1.219 198 I CA 0.901 62.114 61.300 -0.145 0.000 1.463 198 I CB -0.322 37.590 38.000 -0.145 0.000 1.092 198 I HN 0.350 nan 8.210 nan 0.000 0.452 199 A N -0.132 122.638 122.820 -0.082 0.000 1.924 199 A HA -0.091 4.229 4.320 -0.000 0.000 0.211 199 A C 2.324 179.880 177.584 -0.045 0.000 1.198 199 A CA 0.550 52.554 52.037 -0.055 0.000 0.657 199 A CB -0.299 18.671 19.000 -0.050 0.000 0.852 199 A HN 0.265 nan 8.150 nan 0.000 0.454 200 E N 0.166 120.335 120.200 -0.051 0.000 2.110 200 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 200 E C 1.173 177.754 176.600 -0.031 0.000 0.988 200 E CA 0.625 57.002 56.400 -0.037 0.000 0.804 200 E CB -0.082 29.595 29.700 -0.038 0.000 0.745 200 E HN 0.201 nan 8.360 nan 0.000 0.458 201 R N 0.663 121.139 120.500 -0.040 0.000 2.325 201 R HA -0.000 4.340 4.340 -0.000 0.000 0.214 201 R C 1.134 177.418 176.300 -0.026 0.000 0.961 201 R CA 0.278 56.359 56.100 -0.030 0.000 1.086 201 R CB -0.309 29.970 30.300 -0.036 0.000 1.037 201 R HN 0.218 nan 8.270 nan 0.000 0.493 202 R N -1.535 118.949 120.500 -0.026 0.000 2.629 202 R HA 0.155 4.495 4.340 -0.000 0.000 0.408 202 R C 0.238 176.529 176.300 -0.015 0.000 1.057 202 R CA 0.177 56.265 56.100 -0.020 0.000 1.119 202 R CB 0.279 30.567 30.300 -0.021 0.000 1.403 202 R HN -0.050 nan 8.270 nan 0.000 0.576 203 T N -3.936 110.610 114.554 -0.014 0.000 3.254 203 T HA 0.124 4.474 4.350 -0.000 0.000 0.267 203 T C 0.372 175.067 174.700 -0.008 0.000 0.946 203 T CA 0.011 62.105 62.100 -0.010 0.000 0.991 203 T CB -0.071 68.791 68.868 -0.011 0.000 1.205 203 T HN 0.190 nan 8.240 nan 0.000 0.494 204 N N 2.834 121.529 118.700 -0.008 0.000 2.765 204 N HA 0.458 5.198 4.740 -0.000 0.000 0.277 204 N C -3.051 172.457 175.510 -0.003 0.000 1.750 204 N CA -1.403 51.644 53.050 -0.005 0.000 0.827 204 N CB 0.864 39.349 38.487 -0.004 0.000 1.200 204 N HN 0.167 nan 8.380 nan 0.000 0.494 205 P HA 0.355 nan 4.420 nan 0.000 0.275 205 P C 0.409 177.711 177.300 0.003 0.000 1.270 205 P CA -0.406 62.693 63.100 -0.002 0.000 0.791 205 P CB 0.749 32.446 31.700 -0.005 0.000 1.089 206 G N -0.252 108.553 108.800 0.007 0.000 3.257 206 G HA2 0.259 4.219 3.960 -0.000 0.000 0.205 206 G HA3 0.259 4.219 3.960 -0.000 0.000 0.205 206 G C -0.013 174.894 174.900 0.011 0.000 1.234 206 G CA -0.404 44.703 45.100 0.013 0.000 0.918 206 G HN 0.601 nan 8.290 nan 0.000 0.602 207 N N 0.154 118.865 118.700 0.018 0.000 2.171 207 N HA 0.019 4.759 4.740 -0.000 0.000 0.212 207 N C 0.112 175.640 175.510 0.029 0.000 1.184 207 N CA 0.214 53.273 53.050 0.016 0.000 0.888 207 N CB 0.132 38.625 38.487 0.009 0.000 1.038 207 N HN 0.618 nan 8.380 nan 0.000 0.517 208 D N 1.148 121.572 120.400 0.041 0.000 2.169 208 D HA -0.056 4.584 4.640 -0.000 0.000 0.253 208 D C 1.251 177.561 176.300 0.016 0.000 1.257 208 D CA -0.171 53.857 54.000 0.046 0.000 0.976 208 D CB 0.801 41.634 40.800 0.056 0.000 1.195 208 D HN 0.066 nan 8.370 nan 0.000 0.534 209 I N -1.446 119.132 120.570 0.014 0.000 3.172 209 I HA -0.116 4.054 4.170 -0.000 0.000 0.278 209 I C 2.427 178.551 176.117 0.012 0.000 1.174 209 I CA -0.089 61.216 61.300 0.008 0.000 1.445 209 I CB -0.117 37.904 38.000 0.036 0.000 1.175 209 I HN 0.120 nan 8.210 nan 0.000 0.447 210 M N 0.698 120.326 119.600 0.047 0.000 2.267 210 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 210 M C 2.260 178.559 176.300 -0.002 0.000 1.063 210 M CA 1.678 57.006 55.300 0.046 0.000 1.090 210 M CB -1.046 31.608 32.600 0.089 0.000 1.392 210 M HN 0.098 nan 8.290 nan 0.000 0.422 211 S N -1.059 114.640 115.700 -0.002 0.000 2.439 211 S HA 0.019 4.489 4.470 -0.000 0.000 0.224 211 S C 1.825 176.410 174.600 -0.025 0.000 1.029 211 S CA 0.306 58.498 58.200 -0.013 0.000 0.946 211 S CB 0.075 63.273 63.200 -0.003 0.000 0.797 211 S HN 0.457 nan 8.310 nan 0.000 0.504 212 R N 1.834 122.319 120.500 -0.026 0.000 2.091 212 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 212 R C 2.152 178.414 176.300 -0.063 0.000 1.136 212 R CA 1.947 58.025 56.100 -0.036 0.000 0.959 212 R CB -0.479 29.802 30.300 -0.032 0.000 0.856 212 R HN 0.426 nan 8.270 nan 0.000 0.437 213 V N -1.485 118.367 119.914 -0.104 0.000 2.548 213 V HA -0.104 4.016 4.120 -0.000 0.000 0.249 213 V C 2.270 178.303 176.094 -0.102 0.000 1.055 213 V CA 1.299 63.497 62.300 -0.169 0.000 1.065 213 V CB -0.617 31.003 31.823 -0.340 0.000 0.681 213 V HN 0.233 nan 8.190 nan 0.000 0.462 214 I N 1.390 121.920 120.570 -0.066 0.000 2.151 214 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 214 I C 2.658 178.761 176.117 -0.023 0.000 1.080 214 I CA 2.778 64.056 61.300 -0.037 0.000 1.339 214 I CB -0.333 37.649 38.000 -0.029 0.000 1.039 214 I HN 0.455 nan 8.210 nan 0.000 0.409 215 M N -1.072 118.514 119.600 -0.023 0.000 2.563 215 M HA 0.216 4.696 4.480 -0.000 0.000 0.231 215 M C 0.589 176.882 176.300 -0.012 0.000 1.136 215 M CA 0.280 55.572 55.300 -0.013 0.000 1.026 215 M CB -0.084 32.508 32.600 -0.012 0.000 1.597 215 M HN -0.095 nan 8.290 nan 0.000 0.495 216 S N 1.759 117.447 115.700 -0.020 0.000 2.632 216 S HA 0.567 5.037 4.470 -0.000 0.000 0.267 216 S C -0.280 174.326 174.600 0.010 0.000 1.276 216 S CA -0.551 57.641 58.200 -0.013 0.000 0.998 216 S CB 0.957 64.135 63.200 -0.036 0.000 0.953 216 S HN 0.397 nan 8.310 nan 0.000 0.547 217 K N 0.812 121.225 120.400 0.021 0.000 2.557 217 K HA 0.430 4.750 4.320 -0.000 0.000 0.257 217 K C -1.511 175.109 176.600 0.034 0.000 0.933 217 K CA -0.307 56.001 56.287 0.035 0.000 0.820 217 K CB 1.585 34.099 32.500 0.024 0.000 1.330 217 K HN 0.405 nan 8.250 nan 0.000 0.432 218 I N 2.553 123.150 120.570 0.044 0.000 2.437 218 I HA 0.121 4.291 4.170 -0.000 0.000 0.298 218 I C 0.176 176.298 176.117 0.008 0.000 0.984 218 I CA 0.025 61.336 61.300 0.018 0.000 1.214 218 I CB 1.308 39.307 38.000 -0.002 0.000 1.365 218 I HN 0.802 nan 8.210 nan 0.000 0.469 219 D N 4.237 124.635 120.400 -0.004 0.000 3.006 219 D HA -0.221 4.419 4.640 -0.000 0.000 0.208 219 D C 1.027 177.329 176.300 0.004 0.000 1.116 219 D CA 1.547 55.545 54.000 -0.004 0.000 0.998 219 D CB -0.853 39.944 40.800 -0.005 0.000 1.124 219 D HN 1.131 nan 8.370 nan 0.000 0.413 220 G N 0.437 109.242 108.800 0.008 0.000 2.176 220 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.232 220 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.232 220 G C -0.063 174.846 174.900 0.016 0.000 0.986 220 G CA 0.517 45.623 45.100 0.010 0.000 0.643 220 G HN 0.450 nan 8.290 nan 0.000 0.522 221 E N 1.388 121.601 120.200 0.022 0.000 2.158 221 E HA 0.669 5.019 4.350 -0.000 0.000 0.271 221 E C 0.598 177.223 176.600 0.042 0.000 0.911 221 E CA -0.193 56.224 56.400 0.029 0.000 0.767 221 E CB 0.896 30.614 29.700 0.031 0.000 1.120 221 E HN 0.185 nan 8.360 nan 0.000 0.405 222 S N 2.988 118.711 115.700 0.038 0.000 2.553 222 S HA -0.026 4.444 4.470 -0.000 0.000 0.293 222 S C 0.029 174.670 174.600 0.068 0.000 1.296 222 S CA -0.168 58.058 58.200 0.044 0.000 1.046 222 S CB 0.088 63.308 63.200 0.033 0.000 0.810 222 S HN 0.414 nan 8.310 nan 0.000 0.505 223 L N 2.270 123.541 121.223 0.080 0.000 2.418 223 L HA 0.328 4.668 4.340 -0.000 0.000 0.265 223 L C 0.862 177.791 176.870 0.100 0.000 1.143 223 L CA 0.463 55.375 54.840 0.121 0.000 0.809 223 L CB 0.766 42.911 42.059 0.143 0.000 1.124 223 L HN 0.556 nan 8.230 nan 0.000 0.456 224 S N 0.300 116.073 115.700 0.121 0.000 2.652 224 S HA 0.139 4.609 4.470 -0.000 0.000 0.270 224 S C 0.994 175.647 174.600 0.088 0.000 1.243 224 S CA -0.532 57.727 58.200 0.099 0.000 0.999 224 S CB 1.351 64.618 63.200 0.111 0.000 0.973 224 S HN 0.659 nan 8.310 nan 0.000 0.544 225 E N 1.697 121.940 120.200 0.070 0.000 2.048 225 E HA -0.231 4.119 4.350 -0.000 0.000 0.202 225 E C 1.023 177.658 176.600 0.058 0.000 1.021 225 E CA 2.290 58.718 56.400 0.048 0.000 0.825 225 E CB -0.311 29.421 29.700 0.053 0.000 0.756 225 E HN 0.669 nan 8.360 nan 0.000 0.454 226 D N 0.230 120.706 120.400 0.127 0.000 2.133 226 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 226 D C 1.515 177.888 176.300 0.122 0.000 0.997 226 D CA 1.554 55.675 54.000 0.203 0.000 0.840 226 D CB -0.252 40.731 40.800 0.305 0.000 0.947 226 D HN 0.297 nan 8.370 nan 0.000 0.452 227 D N 0.063 120.528 120.400 0.109 0.000 2.084 227 D HA -0.112 4.527 4.640 -0.000 0.000 0.194 227 D C 2.348 178.731 176.300 0.138 0.000 0.990 227 D CA 0.584 54.626 54.000 0.071 0.000 0.826 227 D CB -0.496 40.392 40.800 0.147 0.000 0.971 227 D HN 0.229 nan 8.370 nan 0.000 0.453 228 L N 0.757 122.075 121.223 0.159 0.000 1.955 228 L HA -0.164 4.176 4.340 -0.000 0.000 0.213 228 L C 2.542 179.496 176.870 0.141 0.000 1.072 228 L CA 0.994 55.941 54.840 0.178 0.000 0.755 228 L CB -0.534 41.560 42.059 0.059 0.000 0.888 228 L HN -0.003 nan 8.230 nan 0.000 0.432 229 I N 0.189 120.759 120.570 -0.001 0.000 3.055 229 I HA -0.209 3.961 4.170 -0.000 0.000 0.277 229 I C 2.253 178.341 176.117 -0.048 0.000 1.306 229 I CA 0.926 62.167 61.300 -0.099 0.000 1.426 229 I CB -0.805 36.972 38.000 -0.371 0.000 1.081 229 I HN 0.339 nan 8.210 nan 0.000 0.502 230 G N 0.357 109.154 108.800 -0.005 0.000 2.441 230 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.212 230 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.212 230 G C 1.344 176.158 174.900 -0.143 0.000 1.164 230 G CA 0.132 45.175 45.100 -0.096 0.000 0.811 230 G HN 0.230 nan 8.290 nan 0.000 0.535 231 F N -0.117 119.829 119.950 -0.007 0.000 2.128 231 F HA 0.161 4.688 4.527 -0.000 0.000 0.295 231 F C 2.218 178.062 175.800 0.072 0.000 1.100 231 F CA 0.565 58.574 58.000 0.014 0.000 1.260 231 F CB -0.522 38.491 39.000 0.022 0.000 1.009 231 F HN 0.110 nan 8.300 nan 0.000 0.476 232 F N 1.301 121.338 119.950 0.145 0.000 2.065 232 F HA -0.283 4.244 4.527 0.000 0.000 0.298 232 F C 2.453 178.276 175.800 0.038 0.000 1.112 232 F CA 2.280 60.318 58.000 0.062 0.000 1.212 232 F CB -1.068 37.931 39.000 -0.002 0.000 0.975 232 F HN -0.130 nan 8.300 nan 0.000 0.476 233 T N 0.797 115.385 114.554 0.058 0.000 2.708 233 T HA -0.208 4.141 4.350 -0.000 0.000 0.266 233 T C 1.893 176.579 174.700 -0.024 0.000 1.037 233 T CA 1.657 63.750 62.100 -0.012 0.000 1.146 233 T CB -0.594 68.354 68.868 0.133 0.000 0.865 233 T HN 0.303 nan 8.240 nan 0.000 0.435 234 I N 0.580 121.143 120.570 -0.013 0.000 2.614 234 I HA -0.017 4.153 4.170 -0.000 0.000 0.258 234 I C 1.417 177.512 176.117 -0.036 0.000 1.189 234 I CA 0.969 62.254 61.300 -0.026 0.000 1.462 234 I CB -0.290 37.662 38.000 -0.081 0.000 1.092 234 I HN 0.070 nan 8.210 nan 0.000 0.442 235 L N -0.657 120.544 121.223 -0.038 0.000 2.200 235 L HA 0.125 4.465 4.340 -0.000 0.000 0.200 235 L C 1.902 178.716 176.870 -0.094 0.000 1.072 235 L CA 1.062 55.882 54.840 -0.034 0.000 0.787 235 L CB -1.475 40.619 42.059 0.057 0.000 0.957 235 L HN 0.230 nan 8.230 nan 0.000 0.459 236 L N -0.734 120.348 121.223 -0.235 0.000 2.786 236 L HA -0.049 4.291 4.340 -0.000 0.000 0.250 236 L C 1.378 178.174 176.870 -0.123 0.000 1.151 236 L CA 0.996 55.666 54.840 -0.283 0.000 0.910 236 L CB -0.228 41.480 42.059 -0.585 0.000 1.082 236 L HN 0.225 nan 8.230 nan 0.000 0.433 237 L N -3.468 117.717 121.223 -0.064 0.000 2.658 237 L HA 0.362 4.702 4.340 -0.000 0.000 0.222 237 L C 2.054 178.927 176.870 0.006 0.000 1.033 237 L CA 0.799 55.637 54.840 -0.003 0.000 0.949 237 L CB -0.543 41.536 42.059 0.033 0.000 1.698 237 L HN 0.090 nan 8.230 nan 0.000 0.498 238 G N 0.004 108.799 108.800 -0.007 0.000 2.469 238 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 238 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 238 G C 1.078 175.974 174.900 -0.006 0.000 1.150 238 G CA 0.874 45.966 45.100 -0.013 0.000 0.763 238 G HN 0.511 nan 8.290 nan 0.000 0.561 239 G N -0.866 107.934 108.800 -0.001 0.000 4.044 239 G HA2 0.449 4.409 3.960 -0.000 0.000 0.297 239 G HA3 0.449 4.409 3.960 -0.000 0.000 0.297 239 G C 0.607 175.518 174.900 0.019 0.000 1.101 239 G CA -0.225 44.886 45.100 0.020 0.000 0.884 239 G HN 0.212 nan 8.290 nan 0.000 0.538 240 I N 0.533 121.110 120.570 0.011 0.000 3.673 240 I HA 0.113 4.283 4.170 -0.000 0.000 0.281 240 I C 1.954 178.082 176.117 0.018 0.000 1.182 240 I CA 0.938 62.246 61.300 0.015 0.000 1.391 240 I CB 0.433 38.438 38.000 0.009 0.000 1.383 240 I HN 0.301 nan 8.210 nan 0.000 0.456 241 D N 1.132 121.541 120.400 0.016 0.000 2.566 241 D HA 0.045 4.685 4.640 -0.000 0.000 0.253 241 D C 1.916 178.221 176.300 0.009 0.000 0.992 241 D CA 1.088 55.093 54.000 0.007 0.000 0.940 241 D CB -0.351 40.450 40.800 0.001 0.000 1.095 241 D HN 0.049 nan 8.370 nan 0.000 0.480 242 A N 1.139 123.967 122.820 0.013 0.000 1.927 242 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 242 A C 2.349 179.970 177.584 0.062 0.000 1.185 242 A CA 3.146 55.195 52.037 0.021 0.000 0.639 242 A CB -1.429 17.577 19.000 0.010 0.000 0.820 242 A HN 0.428 nan 8.150 nan 0.000 0.451 243 T N 0.502 115.091 114.554 0.058 0.000 2.545 243 T HA -0.069 4.281 4.350 -0.000 0.000 0.261 243 T C 2.247 177.010 174.700 0.105 0.000 1.097 243 T CA 2.240 64.399 62.100 0.099 0.000 1.189 243 T CB -1.029 67.878 68.868 0.065 0.000 0.863 243 T HN 0.776 nan 8.240 nan 0.000 0.405 244 A N 2.691 125.536 122.820 0.042 0.000 1.882 244 A HA -0.321 3.999 4.320 -0.000 0.000 0.220 244 A C 2.384 179.961 177.584 -0.013 0.000 1.253 244 A CA 2.397 54.436 52.037 0.005 0.000 0.664 244 A CB -0.784 18.211 19.000 -0.008 0.000 0.838 244 A HN 0.332 nan 8.150 nan 0.000 0.460 245 R N -1.506 118.984 120.500 -0.017 0.000 2.113 245 R HA -0.200 4.140 4.340 -0.000 0.000 0.244 245 R C 2.052 178.352 176.300 -0.001 0.000 1.142 245 R CA 1.807 57.872 56.100 -0.059 0.000 0.953 245 R CB -1.535 28.703 30.300 -0.104 0.000 0.860 245 R HN 0.734 nan 8.270 nan 0.000 0.438 246 F N 1.406 121.314 119.950 -0.070 0.000 2.091 246 F HA -0.227 4.299 4.527 -0.000 0.000 0.299 246 F C 2.174 177.915 175.800 -0.098 0.000 1.103 246 F CA 1.463 59.442 58.000 -0.036 0.000 1.228 246 F CB -0.182 38.809 39.000 -0.015 0.000 0.984 246 F HN -0.085 nan 8.300 nan 0.000 0.477 247 L N -0.422 120.578 121.223 -0.371 0.000 2.093 247 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 247 L C 2.526 179.085 176.870 -0.519 0.000 1.085 247 L CA 1.123 55.572 54.840 -0.651 0.000 0.755 247 L CB -0.860 40.946 42.059 -0.423 0.000 0.904 247 L HN 0.113 nan 8.230 nan 0.000 0.435 248 S N -0.558 115.015 115.700 -0.211 0.000 2.353 248 S HA -0.255 4.214 4.470 -0.000 0.000 0.222 248 S C 2.175 176.747 174.600 -0.046 0.000 1.035 248 S CA 1.799 59.971 58.200 -0.046 0.000 1.025 248 S CB -0.435 62.743 63.200 -0.037 0.000 0.902 248 S HN 0.444 nan 8.310 nan 0.000 0.440 249 S N 0.503 116.136 115.700 -0.112 0.000 2.440 249 S HA -0.106 4.364 4.470 -0.000 0.000 0.240 249 S C 1.707 176.125 174.600 -0.303 0.000 1.014 249 S CA 1.150 59.285 58.200 -0.108 0.000 0.980 249 S CB -0.326 62.850 63.200 -0.041 0.000 0.775 249 S HN 0.290 nan 8.310 nan 0.000 0.499 250 V N 0.500 120.139 119.914 -0.459 0.000 2.331 250 V HA 0.029 4.149 4.120 -0.000 0.000 0.242 250 V C 1.914 177.872 176.094 -0.226 0.000 1.034 250 V CA 1.687 63.697 62.300 -0.483 0.000 1.027 250 V CB -0.861 30.504 31.823 -0.764 0.000 0.667 250 V HN 0.573 nan 8.190 nan 0.000 0.457 251 F N -0.890 118.988 119.950 -0.121 0.000 2.120 251 F HA -0.309 4.218 4.527 -0.001 0.000 0.300 251 F C 2.291 178.156 175.800 0.108 0.000 1.095 251 F CA 2.147 60.138 58.000 -0.015 0.000 1.249 251 F CB -0.417 38.511 39.000 -0.120 0.000 0.995 251 F HN 0.342 nan 8.300 nan 0.000 0.480 252 W N 1.748 123.125 121.300 0.129 0.000 2.355 252 W HA -0.237 4.422 4.660 -0.001 0.000 0.309 252 W C 2.614 179.159 176.519 0.043 0.000 1.206 252 W CA 1.748 59.167 57.345 0.124 0.000 1.284 252 W CB -0.430 29.105 29.460 0.124 0.000 1.145 252 W HN -0.167 nan 8.180 nan 0.000 0.502 253 R N 0.622 121.010 120.500 -0.187 0.000 2.193 253 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 253 R C 1.850 177.728 176.300 -0.702 0.000 1.110 253 R CA 1.717 57.428 56.100 -0.648 0.000 0.988 253 R CB -0.858 29.255 30.300 -0.313 0.000 0.871 253 R HN 0.396 nan 8.270 nan 0.000 0.458 254 L N -0.438 120.618 121.223 -0.278 0.000 2.591 254 L HA 0.245 4.585 4.340 -0.000 0.000 0.228 254 L C 1.788 178.496 176.870 -0.270 0.000 1.133 254 L CA 0.446 55.229 54.840 -0.094 0.000 0.880 254 L CB -0.035 42.244 42.059 0.366 0.000 1.033 254 L HN 0.308 nan 8.230 nan 0.000 0.450 255 A N 0.428 122.998 122.820 -0.417 0.000 1.943 255 A HA -0.112 4.208 4.320 -0.000 0.000 0.213 255 A C 1.959 179.311 177.584 -0.386 0.000 1.181 255 A CA 0.688 52.388 52.037 -0.563 0.000 0.653 255 A CB -0.317 18.539 19.000 -0.240 0.000 0.833 255 A HN 0.667 nan 8.150 nan 0.000 0.451 256 W N -1.116 119.932 121.300 -0.421 0.000 2.842 256 W HA 0.249 4.912 4.660 0.005 0.000 0.267 256 W C -0.519 175.853 176.519 -0.246 0.000 1.219 256 W CA 0.401 57.551 57.345 -0.324 0.000 1.458 256 W CB -0.219 29.031 29.460 -0.349 0.000 1.006 256 W HN 0.199 nan 8.180 nan 0.000 0.603 257 D N 3.719 123.572 120.400 -0.912 0.000 2.470 257 D HA 0.074 4.714 4.640 -0.000 0.000 0.226 257 D C 1.690 177.794 176.300 -0.328 0.000 1.196 257 D CA 0.061 53.621 54.000 -0.734 0.000 0.979 257 D CB 0.103 40.292 40.800 -1.018 0.000 1.059 257 D HN 0.345 nan 8.370 nan 0.000 0.515 258 I N -0.030 120.450 120.570 -0.151 0.000 2.546 258 I HA -0.042 4.128 4.170 -0.000 0.000 0.255 258 I C 1.828 177.900 176.117 -0.073 0.000 1.163 258 I CA 0.446 61.691 61.300 -0.090 0.000 1.457 258 I CB -0.155 37.821 38.000 -0.041 0.000 1.092 258 I HN 0.203 nan 8.210 nan 0.000 0.434 259 E N 1.429 121.583 120.200 -0.076 0.000 2.204 259 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 259 E C 2.142 178.696 176.600 -0.077 0.000 0.990 259 E CA 1.084 57.448 56.400 -0.060 0.000 0.821 259 E CB 0.074 29.747 29.700 -0.046 0.000 0.750 259 E HN 0.565 nan 8.360 nan 0.000 0.477 260 L N 0.674 121.822 121.223 -0.124 0.000 2.102 260 L HA 0.014 4.354 4.340 -0.000 0.000 0.202 260 L C 2.462 179.293 176.870 -0.066 0.000 1.076 260 L CA 1.384 56.156 54.840 -0.114 0.000 0.761 260 L CB -0.461 41.485 42.059 -0.188 0.000 0.921 260 L HN -0.067 nan 8.230 nan 0.000 0.444 261 R N -0.081 120.385 120.500 -0.056 0.000 2.082 261 R HA -0.261 4.079 4.340 -0.000 0.000 0.234 261 R C 2.536 178.835 176.300 -0.002 0.000 1.136 261 R CA 2.056 58.166 56.100 0.017 0.000 0.935 261 R CB -0.444 29.905 30.300 0.081 0.000 0.842 261 R HN 0.402 nan 8.270 nan 0.000 0.430 262 R N 0.393 120.882 120.500 -0.019 0.000 2.136 262 R HA -0.216 4.124 4.340 -0.000 0.000 0.242 262 R C 2.382 178.651 176.300 -0.052 0.000 1.131 262 R CA 2.389 58.469 56.100 -0.032 0.000 0.937 262 R CB -0.315 29.964 30.300 -0.035 0.000 0.863 262 R HN 0.281 nan 8.270 nan 0.000 0.435 263 R N 0.156 120.630 120.500 -0.044 0.000 2.105 263 R HA -0.108 4.232 4.340 -0.000 0.000 0.239 263 R C 2.384 178.668 176.300 -0.026 0.000 1.135 263 R CA 1.554 57.632 56.100 -0.038 0.000 0.967 263 R CB -0.373 29.927 30.300 -0.000 0.000 0.861 263 R HN 0.380 nan 8.270 nan 0.000 0.442 264 L N 0.422 121.639 121.223 -0.011 0.000 2.376 264 L HA -0.081 4.259 4.340 -0.000 0.000 0.219 264 L C 2.069 178.934 176.870 -0.007 0.000 1.133 264 L CA 0.780 55.625 54.840 0.008 0.000 0.816 264 L CB -0.124 41.945 42.059 0.016 0.000 0.933 264 L HN 0.209 nan 8.230 nan 0.000 0.449 265 I N -0.918 119.630 120.570 -0.037 0.000 2.867 265 I HA -0.073 4.097 4.170 -0.000 0.000 0.265 265 I C 2.632 178.702 176.117 -0.079 0.000 1.162 265 I CA 0.650 61.921 61.300 -0.049 0.000 1.471 265 I CB -0.190 37.780 38.000 -0.051 0.000 1.123 265 I HN 0.107 nan 8.210 nan 0.000 0.440 266 A N -0.026 122.702 122.820 -0.153 0.000 1.929 266 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 266 A C 0.942 178.351 177.584 -0.292 0.000 1.176 266 A CA 1.200 53.065 52.037 -0.287 0.000 0.628 266 A CB -0.276 18.436 19.000 -0.480 0.000 0.816 266 A HN 0.377 nan 8.150 nan 0.000 0.444 267 H N -0.715 118.352 119.070 -0.005 0.000 2.418 267 H HA 0.244 4.799 4.556 -0.000 0.000 0.238 267 H C -2.119 173.209 175.328 -0.001 0.000 1.403 267 H CA -2.176 53.871 56.048 -0.002 0.000 1.419 267 H CB 0.388 30.149 29.762 -0.002 0.000 1.463 267 H HN 0.367 nan 8.280 nan 0.000 0.515 268 P HA -0.119 nan 4.420 nan 0.000 0.230 268 P C 1.107 178.439 177.300 0.053 0.000 1.158 268 P CA 0.787 63.919 63.100 0.054 0.000 0.769 268 P CB 0.505 32.223 31.700 0.030 0.000 0.807 269 E N 0.374 120.611 120.200 0.062 0.000 2.418 269 E HA -0.060 4.290 4.350 -0.000 0.000 0.197 269 E C 1.928 178.549 176.600 0.036 0.000 1.026 269 E CA 0.465 56.889 56.400 0.040 0.000 0.862 269 E CB -0.935 28.782 29.700 0.030 0.000 0.799 269 E HN 0.324 nan 8.360 nan 0.000 0.518 270 L N 0.214 121.467 121.223 0.050 0.000 2.179 270 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 270 L C 2.251 179.143 176.870 0.037 0.000 1.096 270 L CA 0.134 54.999 54.840 0.041 0.000 0.779 270 L CB -0.344 41.751 42.059 0.060 0.000 0.922 270 L HN 0.005 nan 8.230 nan 0.000 0.443 271 I N 0.150 120.743 120.570 0.039 0.000 2.182 271 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 271 I C -0.491 175.646 176.117 0.032 0.000 1.073 271 I CA 2.249 63.569 61.300 0.034 0.000 1.335 271 I CB -1.526 36.493 38.000 0.032 0.000 1.031 271 I HN 0.184 nan 8.210 nan 0.000 0.420 272 P HA -0.084 nan 4.420 nan 0.000 0.208 272 P C 1.070 178.387 177.300 0.028 0.000 1.200 272 P CA 1.571 64.686 63.100 0.026 0.000 0.924 272 P CB -0.153 31.561 31.700 0.023 0.000 0.774 273 N N -0.926 117.791 118.700 0.027 0.000 2.661 273 N HA -0.130 4.610 4.740 -0.000 0.000 0.196 273 N C 1.228 176.755 175.510 0.029 0.000 1.129 273 N CA 1.193 54.260 53.050 0.029 0.000 0.938 273 N CB -0.451 38.050 38.487 0.024 0.000 0.966 273 N HN 0.169 nan 8.380 nan 0.000 0.450 274 A N -0.706 122.132 122.820 0.029 0.000 2.026 274 A HA 0.180 4.500 4.320 -0.000 0.000 0.201 274 A C 1.950 179.561 177.584 0.046 0.000 1.318 274 A CA -0.114 51.940 52.037 0.028 0.000 0.857 274 A CB -0.137 18.878 19.000 0.024 0.000 0.939 274 A HN 0.083 nan 8.150 nan 0.000 0.476 275 V N 1.154 121.102 119.914 0.057 0.000 2.794 275 V HA -0.238 3.882 4.120 -0.000 0.000 0.260 275 V C 2.055 178.210 176.094 0.101 0.000 1.103 275 V CA 2.408 64.769 62.300 0.102 0.000 1.125 275 V CB -0.609 31.265 31.823 0.086 0.000 0.702 275 V HN 0.528 nan 8.190 nan 0.000 0.494 276 D N -0.156 120.266 120.400 0.037 0.000 2.107 276 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 276 D C 2.166 178.371 176.300 -0.158 0.000 0.978 276 D CA 1.223 55.203 54.000 -0.033 0.000 0.852 276 D CB -0.080 40.737 40.800 0.028 0.000 1.008 276 D HN 0.438 nan 8.370 nan 0.000 0.458 277 E N -0.044 120.117 120.200 -0.066 0.000 2.171 277 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 277 E C 1.952 178.561 176.600 0.015 0.000 0.997 277 E CA 0.743 57.108 56.400 -0.058 0.000 0.810 277 E CB -0.390 29.302 29.700 -0.013 0.000 0.738 277 E HN 0.156 nan 8.360 nan 0.000 0.467 278 L N -0.192 121.097 121.223 0.111 0.000 2.156 278 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 278 L C 2.132 179.268 176.870 0.444 0.000 1.095 278 L CA 1.252 56.281 54.840 0.315 0.000 0.770 278 L CB -0.338 41.907 42.059 0.311 0.000 0.914 278 L HN 0.268 nan 8.230 nan 0.000 0.439 279 L N -1.171 120.151 121.223 0.166 0.000 2.141 279 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 279 L C 2.684 179.453 176.870 -0.169 0.000 1.094 279 L CA 0.911 55.681 54.840 -0.117 0.000 0.763 279 L CB -0.419 41.443 42.059 -0.328 0.000 0.908 279 L HN 0.238 nan 8.230 nan 0.000 0.437 280 R N -0.465 119.830 120.500 -0.341 0.000 2.148 280 R HA -0.162 4.178 4.340 -0.000 0.000 0.223 280 R C 2.110 178.355 176.300 -0.092 0.000 1.088 280 R CA 1.314 57.245 56.100 -0.280 0.000 0.985 280 R CB -0.046 30.045 30.300 -0.348 0.000 0.880 280 R HN 0.282 nan 8.270 nan 0.000 0.451 281 F N -0.882 118.992 119.950 -0.127 0.000 2.619 281 F HA 0.068 4.594 4.527 -0.001 0.000 0.293 281 F C 0.145 175.819 175.800 -0.210 0.000 1.119 281 F CA 0.396 58.288 58.000 -0.181 0.000 1.445 281 F CB 0.588 39.438 39.000 -0.250 0.000 1.119 281 F HN -0.072 nan 8.300 nan 0.000 0.573 282 Y N 0.073 120.579 120.300 0.343 0.000 2.666 282 Y HA 0.374 4.923 4.550 -0.002 0.000 0.264 282 Y C 0.790 176.916 175.900 0.377 0.000 1.054 282 Y CA -1.051 57.310 58.100 0.435 0.000 1.121 282 Y CB 0.224 39.017 38.460 0.555 0.000 1.190 282 Y HN -0.078 nan 8.280 nan 0.000 0.587 283 G N 2.694 111.650 108.800 0.261 0.000 2.346 283 G HA2 0.138 4.098 3.960 -0.000 0.000 0.275 283 G HA3 0.138 4.098 3.960 -0.000 0.000 0.275 283 G C -1.208 173.797 174.900 0.174 0.000 1.190 283 G CA -0.676 44.495 45.100 0.119 0.000 1.015 283 G HN 0.157 nan 8.290 nan 0.000 0.441 284 P HA 0.084 nan 4.420 nan 0.000 0.231 284 P C 0.759 178.083 177.300 0.041 0.000 1.168 284 P CA 0.552 63.719 63.100 0.112 0.000 0.779 284 P CB 0.580 32.331 31.700 0.085 0.000 0.844 285 A N 0.397 123.244 122.820 0.046 0.000 2.304 285 A HA 0.705 5.025 4.320 -0.000 0.000 0.301 285 A C -0.275 177.378 177.584 0.115 0.000 1.132 285 A CA -0.520 51.553 52.037 0.059 0.000 0.819 285 A CB 0.486 19.531 19.000 0.076 0.000 1.094 285 A HN 0.150 nan 8.150 nan 0.000 0.492 286 M N 2.725 122.297 119.600 -0.047 0.000 2.238 286 M HA 0.488 4.968 4.480 -0.000 0.000 0.278 286 M C -1.213 174.865 176.300 -0.370 0.000 1.040 286 M CA -0.501 54.610 55.300 -0.315 0.000 0.969 286 M CB 1.846 34.123 32.600 -0.539 0.000 1.694 286 M HN 0.809 nan 8.290 nan 0.000 0.472 287 V N 1.216 120.820 119.914 -0.518 0.000 3.158 287 V HA 1.119 5.239 4.120 -0.000 0.000 0.315 287 V C -0.195 175.636 176.094 -0.439 0.000 1.148 287 V CA -0.428 61.637 62.300 -0.392 0.000 1.042 287 V CB 1.565 33.240 31.823 -0.247 0.000 1.101 287 V HN 0.865 nan 8.190 nan 0.000 0.448 288 G N 0.319 108.910 108.800 -0.348 0.000 2.630 288 G HA2 0.778 4.738 3.960 -0.000 0.000 0.296 288 G HA3 0.778 4.738 3.960 -0.000 0.000 0.296 288 G C -1.268 173.467 174.900 -0.276 0.000 1.285 288 G CA -1.080 43.807 45.100 -0.356 0.000 0.958 288 G HN 0.676 nan 8.290 nan 0.000 0.479 289 R N -0.014 120.346 120.500 -0.233 0.000 2.574 289 R HA 0.301 4.641 4.340 -0.000 0.000 0.288 289 R C -1.664 174.632 176.300 -0.007 0.000 1.004 289 R CA -0.925 55.111 56.100 -0.106 0.000 0.895 289 R CB 2.239 32.475 30.300 -0.106 0.000 1.191 289 R HN 0.393 nan 8.270 nan 0.000 0.444 290 L N 4.251 125.491 121.223 0.028 0.000 2.261 290 L HA 0.255 4.595 4.340 -0.000 0.000 0.289 290 L C -0.339 176.593 176.870 0.103 0.000 1.059 290 L CA -0.394 54.478 54.840 0.053 0.000 0.816 290 L CB 1.094 43.173 42.059 0.033 0.000 1.191 290 L HN 0.313 nan 8.230 nan 0.000 0.431 291 V N 5.593 125.587 119.914 0.134 0.000 2.843 291 V HA 0.297 4.417 4.120 -0.000 0.000 0.305 291 V C 1.108 177.192 176.094 -0.017 0.000 1.065 291 V CA 0.715 63.042 62.300 0.044 0.000 1.116 291 V CB 0.818 32.697 31.823 0.094 0.000 0.968 291 V HN 1.037 nan 8.190 nan 0.000 0.487 292 T N 1.180 115.670 114.554 -0.106 0.000 2.964 292 T HA 0.211 4.561 4.350 -0.000 0.000 0.161 292 T C 0.413 175.059 174.700 -0.089 0.000 0.859 292 T CA -0.185 61.873 62.100 -0.071 0.000 1.015 292 T CB -0.159 68.671 68.868 -0.065 0.000 2.138 292 T HN 0.684 nan 8.240 nan 0.000 0.367 293 Q N 1.982 121.712 119.800 -0.116 0.000 2.395 293 Q HA 0.232 4.572 4.340 -0.000 0.000 0.271 293 Q C -0.008 175.918 176.000 -0.124 0.000 1.026 293 Q CA -0.380 55.361 55.803 -0.102 0.000 0.900 293 Q CB 0.454 29.133 28.738 -0.098 0.000 1.266 293 Q HN 0.568 nan 8.270 nan 0.000 0.430 294 E N 0.786 120.937 120.200 -0.083 0.000 2.534 294 E HA 0.104 4.454 4.350 -0.000 0.000 0.264 294 E C -1.316 175.220 176.600 -0.108 0.000 0.981 294 E CA 0.129 56.485 56.400 -0.074 0.000 0.948 294 E CB 0.790 30.461 29.700 -0.048 0.000 0.934 294 E HN 0.440 nan 8.360 nan 0.000 0.459 295 V N 3.357 123.207 119.914 -0.106 0.000 2.924 295 V HA 0.326 4.446 4.120 -0.000 0.000 0.300 295 V C -1.283 174.761 176.094 -0.084 0.000 1.227 295 V CA -0.431 61.798 62.300 -0.120 0.000 0.954 295 V CB 2.600 34.283 31.823 -0.233 0.000 1.055 295 V HN 0.748 nan 8.190 nan 0.000 0.429 296 T N 5.602 120.116 114.554 -0.067 0.000 2.797 296 T HA 0.771 5.121 4.350 -0.000 0.000 0.279 296 T C -0.862 173.806 174.700 -0.054 0.000 0.991 296 T CA -0.407 61.650 62.100 -0.072 0.000 0.979 296 T CB 1.500 70.329 68.868 -0.064 0.000 0.943 296 T HN 0.787 nan 8.240 nan 0.000 0.444 297 V N 1.941 121.805 119.914 -0.084 0.000 2.709 297 V HA 0.771 4.891 4.120 -0.000 0.000 0.308 297 V C 1.142 177.176 176.094 -0.101 0.000 1.062 297 V CA -0.234 62.024 62.300 -0.070 0.000 0.901 297 V CB 0.965 32.752 31.823 -0.060 0.000 1.003 297 V HN 1.099 nan 8.190 nan 0.000 0.425 298 G N 3.714 112.469 108.800 -0.075 0.000 3.024 298 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.339 298 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.339 298 G C 0.335 175.188 174.900 -0.078 0.000 1.200 298 G CA 1.274 46.330 45.100 -0.074 0.000 0.968 298 G HN 0.744 nan 8.290 nan 0.000 0.593 299 D N 0.167 120.506 120.400 -0.103 0.000 2.525 299 D HA 0.358 4.998 4.640 -0.000 0.000 0.231 299 D C 0.807 177.030 176.300 -0.128 0.000 1.216 299 D CA -0.075 53.867 54.000 -0.096 0.000 0.813 299 D CB 0.685 41.437 40.800 -0.081 0.000 1.108 299 D HN 0.503 nan 8.370 nan 0.000 0.524 300 I N 0.331 120.787 120.570 -0.190 0.000 2.676 300 I HA 0.313 4.483 4.170 -0.000 0.000 0.309 300 I C 0.016 175.982 176.117 -0.252 0.000 0.990 300 I CA -0.245 60.888 61.300 -0.278 0.000 1.168 300 I CB 2.092 39.775 38.000 -0.529 0.000 1.343 300 I HN -0.334 nan 8.210 nan 0.000 0.482 301 T N 5.821 120.242 114.554 -0.222 0.000 2.812 301 T HA 0.575 4.925 4.350 -0.000 0.000 0.282 301 T C -0.370 174.270 174.700 -0.100 0.000 0.990 301 T CA -0.546 61.473 62.100 -0.136 0.000 0.960 301 T CB 1.102 69.929 68.868 -0.068 0.000 0.948 301 T HN 0.347 nan 8.240 nan 0.000 0.438 302 M N 2.732 122.290 119.600 -0.070 0.000 2.598 302 M HA 0.569 5.049 4.480 -0.000 0.000 0.317 302 M C 0.031 176.391 176.300 0.100 0.000 1.201 302 M CA -0.875 54.484 55.300 0.099 0.000 0.971 302 M CB 1.880 34.528 32.600 0.080 0.000 1.657 302 M HN 0.317 nan 8.290 nan 0.000 0.470 303 K N 0.574 121.081 120.400 0.178 0.000 2.331 303 K HA 0.669 4.989 4.320 -0.000 0.000 0.238 303 K C -2.704 173.948 176.600 0.087 0.000 1.058 303 K CA -1.863 54.480 56.287 0.093 0.000 0.871 303 K CB 0.932 33.483 32.500 0.085 0.000 1.292 303 K HN 0.233 nan 8.250 nan 0.000 0.470 304 P HA -0.025 nan 4.420 nan 0.000 0.272 304 P C 0.462 177.805 177.300 0.072 0.000 1.254 304 P CA 0.489 63.612 63.100 0.038 0.000 0.795 304 P CB 0.256 31.967 31.700 0.018 0.000 1.022 305 G N -1.283 107.556 108.800 0.066 0.000 2.216 305 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.269 305 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.269 305 G C 0.114 175.089 174.900 0.126 0.000 0.981 305 G CA 0.322 45.473 45.100 0.085 0.000 0.658 305 G HN 0.603 nan 8.290 nan 0.000 0.539 306 Q N 0.365 120.256 119.800 0.153 0.000 2.230 306 Q HA 0.534 4.874 4.340 -0.000 0.000 0.248 306 Q C -0.301 175.811 176.000 0.188 0.000 0.915 306 Q CA 0.095 56.025 55.803 0.212 0.000 0.900 306 Q CB 1.262 30.189 28.738 0.316 0.000 1.229 306 Q HN 0.254 nan 8.270 nan 0.000 0.439 307 T N 0.749 115.379 114.554 0.128 0.000 2.888 307 T HA 0.643 4.993 4.350 -0.000 0.000 0.284 307 T C -0.960 173.725 174.700 -0.024 0.000 1.017 307 T CA -0.691 61.370 62.100 -0.064 0.000 1.022 307 T CB 1.514 70.108 68.868 -0.457 0.000 1.013 307 T HN 0.633 nan 8.240 nan 0.000 0.465 308 A N 3.421 126.204 122.820 -0.062 0.000 2.330 308 A HA 0.716 5.036 4.320 -0.000 0.000 0.313 308 A C -0.406 177.058 177.584 -0.199 0.000 1.124 308 A CA -0.780 51.276 52.037 0.030 0.000 0.774 308 A CB 0.705 19.778 19.000 0.121 0.000 1.198 308 A HN 0.664 nan 8.150 nan 0.000 0.465 309 M N 3.198 122.714 119.600 -0.141 0.000 2.084 309 M HA 0.271 4.751 4.480 -0.000 0.000 0.351 309 M C -0.648 175.627 176.300 -0.042 0.000 1.240 309 M CA -0.374 54.803 55.300 -0.205 0.000 1.083 309 M CB 0.317 32.843 32.600 -0.123 0.000 1.593 309 M HN 0.579 nan 8.290 nan 0.000 0.463 310 L N 4.004 125.047 121.223 -0.300 0.000 2.385 310 L HA 0.105 4.445 4.340 -0.000 0.000 0.285 310 L C -0.433 176.128 176.870 -0.516 0.000 1.125 310 L CA -0.327 54.279 54.840 -0.391 0.000 0.890 310 L CB -0.013 41.676 42.059 -0.616 0.000 1.251 310 L HN 0.605 nan 8.230 nan 0.000 0.445 311 W N 3.973 125.027 121.300 -0.411 0.000 1.839 311 W HA 0.126 4.786 4.660 -0.001 0.000 0.489 311 W C 1.122 177.497 176.519 -0.241 0.000 0.789 311 W CA -0.309 56.835 57.345 -0.335 0.000 1.900 311 W CB -0.867 28.443 29.460 -0.250 0.000 1.773 311 W HN 0.468 nan 8.180 nan 0.000 0.251 312 F N 3.279 123.150 119.950 -0.130 0.000 2.043 312 F HA -0.308 4.219 4.527 -0.001 0.000 0.297 312 F C 0.451 176.168 175.800 -0.138 0.000 1.118 312 F CA 1.126 59.063 58.000 -0.104 0.000 1.202 312 F CB -1.696 37.235 39.000 -0.116 0.000 0.965 312 F HN 0.062 nan 8.300 nan 0.000 0.482 313 P HA -0.189 nan 4.420 nan 0.000 0.222 313 P C 1.386 178.499 177.300 -0.312 0.000 1.142 313 P CA 1.546 64.500 63.100 -0.245 0.000 0.788 313 P CB -0.182 31.247 31.700 -0.452 0.000 0.767 314 I N -0.303 120.129 120.570 -0.230 0.000 2.731 314 I HA 0.023 4.193 4.170 -0.000 0.000 0.260 314 I C 2.504 178.616 176.117 -0.010 0.000 1.138 314 I CA 0.860 62.070 61.300 -0.150 0.000 1.461 314 I CB -1.792 36.147 38.000 -0.102 0.000 1.128 314 I HN -0.083 nan 8.210 nan 0.000 0.438 315 A N 0.345 123.219 122.820 0.091 0.000 2.066 315 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 315 A C 2.257 179.956 177.584 0.191 0.000 1.157 315 A CA 1.206 53.375 52.037 0.220 0.000 0.670 315 A CB -0.504 18.698 19.000 0.336 0.000 0.804 315 A HN 0.371 nan 8.150 nan 0.000 0.453 316 S N -0.591 115.136 115.700 0.045 0.000 2.603 316 S HA 0.074 4.544 4.470 -0.000 0.000 0.220 316 S C 1.245 175.629 174.600 -0.360 0.000 0.967 316 S CA 0.238 58.338 58.200 -0.167 0.000 0.920 316 S CB -0.070 63.035 63.200 -0.158 0.000 0.773 316 S HN 0.597 nan 8.310 nan 0.000 0.529 317 R N 0.862 121.275 120.500 -0.145 0.000 2.596 317 R HA 0.176 4.516 4.340 -0.000 0.000 0.369 317 R C -0.687 175.627 176.300 0.023 0.000 1.042 317 R CA -0.225 55.818 56.100 -0.096 0.000 1.120 317 R CB 0.336 30.599 30.300 -0.061 0.000 1.353 317 R HN 0.144 nan 8.270 nan 0.000 0.564 318 D N 1.708 122.164 120.400 0.094 0.000 2.382 318 D HA 0.012 4.652 4.640 -0.000 0.000 0.259 318 D C 0.926 177.310 176.300 0.140 0.000 1.224 318 D CA 0.234 54.312 54.000 0.131 0.000 0.894 318 D CB 0.810 41.719 40.800 0.180 0.000 1.127 318 D HN 0.056 nan 8.370 nan 0.000 0.487 319 R N 1.610 122.170 120.500 0.100 0.000 2.159 319 R HA -0.103 4.237 4.340 -0.000 0.000 0.237 319 R C 1.326 177.667 176.300 0.068 0.000 1.131 319 R CA 0.968 57.121 56.100 0.088 0.000 0.982 319 R CB -0.075 30.265 30.300 0.066 0.000 0.868 319 R HN 0.367 nan 8.270 nan 0.000 0.453 320 S N -1.094 114.644 115.700 0.062 0.000 2.667 320 S HA 0.448 4.918 4.470 -0.000 0.000 0.251 320 S C 0.679 175.283 174.600 0.007 0.000 1.075 320 S CA 0.046 58.269 58.200 0.039 0.000 1.130 320 S CB 1.153 64.382 63.200 0.050 0.000 0.795 320 S HN 0.293 nan 8.310 nan 0.000 0.462 321 A N 0.223 123.007 122.820 -0.059 0.000 2.654 321 A HA 0.543 4.863 4.320 -0.000 0.000 0.203 321 A C -0.334 176.859 177.584 -0.652 0.000 1.306 321 A CA -0.273 51.576 52.037 -0.314 0.000 1.041 321 A CB 0.383 19.144 19.000 -0.399 0.000 1.217 321 A HN 0.448 nan 8.150 nan 0.000 0.510 322 F N 1.251 121.139 119.950 -0.103 0.000 2.722 322 F HA 0.315 4.842 4.527 0.000 0.000 0.336 322 F C -0.964 174.817 175.800 -0.032 0.000 1.216 322 F CA -0.931 57.022 58.000 -0.078 0.000 1.065 322 F CB 1.339 40.278 39.000 -0.102 0.000 1.325 322 F HN -0.024 nan 8.300 nan 0.000 0.524 323 D N 1.979 122.468 120.400 0.148 0.000 2.414 323 D HA 0.086 4.726 4.640 -0.000 0.000 0.242 323 D C 0.253 176.613 176.300 0.099 0.000 1.129 323 D CA 0.612 54.669 54.000 0.096 0.000 0.885 323 D CB 1.230 42.067 40.800 0.061 0.000 1.198 323 D HN 0.631 nan 8.370 nan 0.000 0.437 324 S N 2.066 117.811 115.700 0.074 0.000 3.336 324 S HA -0.125 4.345 4.470 -0.000 0.000 0.362 324 S C -1.312 173.330 174.600 0.070 0.000 0.941 324 S CA -0.141 58.096 58.200 0.062 0.000 1.297 324 S CB -0.576 62.651 63.200 0.044 0.000 0.915 324 S HN 0.530 nan 8.310 nan 0.000 0.527 325 P HA -0.129 nan 4.420 nan 0.000 0.216 325 P C 0.642 178.014 177.300 0.120 0.000 1.150 325 P CA 1.130 64.272 63.100 0.070 0.000 0.837 325 P CB 0.023 31.759 31.700 0.061 0.000 0.786 326 D N -0.256 120.225 120.400 0.136 0.000 2.332 326 D HA 0.050 4.690 4.640 -0.000 0.000 0.244 326 D C -0.018 176.332 176.300 0.083 0.000 1.136 326 D CA 0.465 54.593 54.000 0.214 0.000 0.884 326 D CB -0.557 40.350 40.800 0.178 0.000 0.906 326 D HN 0.279 nan 8.370 nan 0.000 0.520 327 N N -0.143 118.553 118.700 -0.005 0.000 2.269 327 N HA 0.362 5.102 4.740 -0.000 0.000 0.304 327 N C -0.453 174.936 175.510 -0.201 0.000 1.072 327 N CA -0.532 52.453 53.050 -0.108 0.000 0.802 327 N CB 2.215 40.678 38.487 -0.040 0.000 1.348 327 N HN -0.111 nan 8.380 nan 0.000 0.484 328 I N 1.925 122.313 120.570 -0.303 0.000 2.294 328 I HA 0.169 4.339 4.170 -0.000 0.000 0.295 328 I C -0.505 175.533 176.117 -0.131 0.000 1.098 328 I CA -0.490 60.644 61.300 -0.276 0.000 1.277 328 I CB 0.381 38.171 38.000 -0.350 0.000 1.434 328 I HN 0.129 nan 8.210 nan 0.000 0.498 329 V N 7.711 127.580 119.914 -0.074 0.000 2.259 329 V HA 0.129 4.249 4.120 -0.000 0.000 0.267 329 V C 1.334 177.420 176.094 -0.014 0.000 1.051 329 V CA -0.376 61.905 62.300 -0.031 0.000 0.830 329 V CB 0.730 32.550 31.823 -0.004 0.000 1.080 329 V HN 0.682 nan 8.190 nan 0.000 0.467 330 I N 1.955 122.516 120.570 -0.015 0.000 2.264 330 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 330 I C 2.043 178.165 176.117 0.009 0.000 1.111 330 I CA 1.850 63.150 61.300 0.000 0.000 1.382 330 I CB -0.248 37.755 38.000 0.005 0.000 1.060 330 I HN 0.703 nan 8.210 nan 0.000 0.418 331 E N 2.607 122.812 120.200 0.007 0.000 2.511 331 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 331 E C 1.158 177.768 176.600 0.016 0.000 1.066 331 E CA -0.231 56.173 56.400 0.006 0.000 0.871 331 E CB -0.269 29.432 29.700 0.001 0.000 0.863 331 E HN 0.550 nan 8.360 nan 0.000 0.520 332 R N 1.547 122.062 120.500 0.025 0.000 2.446 332 R HA 0.037 4.377 4.340 -0.000 0.000 0.314 332 R C -1.027 175.304 176.300 0.052 0.000 1.003 332 R CA 0.749 56.875 56.100 0.043 0.000 1.018 332 R CB 0.393 30.728 30.300 0.058 0.000 0.945 332 R HN -0.027 nan 8.270 nan 0.000 0.419 333 T N 5.960 120.543 114.554 0.048 0.000 3.032 333 T HA 0.435 4.785 4.350 -0.000 0.000 0.312 333 T C -2.485 172.238 174.700 0.039 0.000 1.078 333 T CA -1.217 60.911 62.100 0.047 0.000 1.028 333 T CB 1.309 70.196 68.868 0.033 0.000 1.091 333 T HN 0.660 nan 8.240 nan 0.000 0.457 334 P HA 0.520 nan 4.420 nan 0.000 0.284 334 P C -1.287 176.073 177.300 0.100 0.000 1.258 334 P CA -0.694 62.442 63.100 0.060 0.000 0.824 334 P CB 0.989 32.716 31.700 0.045 0.000 1.038 335 N N 1.402 120.188 118.700 0.143 0.000 2.511 335 N HA 0.195 4.935 4.740 -0.000 0.000 0.249 335 N C -0.342 175.354 175.510 0.310 0.000 0.971 335 N CA -0.701 52.495 53.050 0.244 0.000 0.938 335 N CB 0.525 39.123 38.487 0.185 0.000 1.131 335 N HN 0.316 nan 8.380 nan 0.000 0.505 336 R N 2.724 123.425 120.500 0.335 0.000 2.868 336 R HA 0.271 4.611 4.340 -0.000 0.000 0.289 336 R C 0.015 176.528 176.300 0.355 0.000 1.443 336 R CA -0.769 55.483 56.100 0.254 0.000 1.651 336 R CB -0.281 30.098 30.300 0.131 0.000 1.242 336 R HN 0.521 nan 8.270 nan 0.000 0.621 337 H N 0.768 119.974 119.070 0.228 0.000 2.430 337 H HA 0.127 4.684 4.556 0.001 0.000 0.359 337 H C 0.383 175.748 175.328 0.061 0.000 1.672 337 H CA -0.690 55.450 56.048 0.153 0.000 1.445 337 H CB 0.929 30.669 29.762 -0.036 0.000 1.642 337 H HN 0.352 nan 8.280 nan 0.000 0.593 338 L N -0.183 120.987 121.223 -0.089 0.000 2.906 338 L HA 0.131 4.471 4.340 -0.000 0.000 0.255 338 L C 1.398 177.806 176.870 -0.770 0.000 1.166 338 L CA -0.041 54.568 54.840 -0.384 0.000 0.977 338 L CB 0.398 42.311 42.059 -0.243 0.000 1.313 338 L HN 0.427 nan 8.230 nan 0.000 0.549 339 S N 0.730 116.184 115.700 -0.410 0.000 2.571 339 S HA 0.029 4.499 4.470 -0.000 0.000 0.245 339 S C 1.349 175.736 174.600 -0.355 0.000 0.976 339 S CA 0.964 58.972 58.200 -0.319 0.000 0.954 339 S CB -0.107 63.135 63.200 0.070 0.000 0.756 339 S HN 0.412 nan 8.310 nan 0.000 0.535 340 L N -0.419 120.548 121.223 -0.427 0.000 3.386 340 L HA 0.358 4.698 4.340 -0.000 0.000 0.307 340 L C 0.916 177.653 176.870 -0.222 0.000 1.235 340 L CA -0.081 54.598 54.840 -0.269 0.000 1.056 340 L CB 0.454 42.391 42.059 -0.203 0.000 1.453 340 L HN 0.388 nan 8.230 nan 0.000 0.615 341 G N -0.105 108.489 108.800 -0.343 0.000 2.627 341 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 341 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 341 G C -1.043 173.883 174.900 0.044 0.000 1.331 341 G CA -0.484 44.542 45.100 -0.122 0.000 0.891 341 G HN 0.258 nan 8.290 nan 0.000 0.539 342 H N -1.046 118.012 119.070 -0.021 0.000 2.967 342 H HA 0.503 5.059 4.556 0.000 0.000 0.318 342 H C 0.813 176.163 175.328 0.038 0.000 1.375 342 H CA 0.393 56.435 56.048 -0.009 0.000 1.132 342 H CB 1.511 31.264 29.762 -0.016 0.000 1.848 342 H HN 2.580 nan 8.280 nan 0.000 0.524 343 G N 1.008 109.693 108.800 -0.191 0.000 2.598 343 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.269 343 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.269 343 G C 1.274 176.184 174.900 0.016 0.000 1.289 343 G CA 0.545 45.602 45.100 -0.073 0.000 0.926 343 G HN 0.757 nan 8.290 nan 0.000 0.567 344 I N -2.138 118.478 120.570 0.076 0.000 2.381 344 I HA -0.131 4.039 4.170 -0.000 0.000 0.255 344 I C 1.623 177.767 176.117 0.046 0.000 1.140 344 I CA 2.256 63.623 61.300 0.111 0.000 1.404 344 I CB -0.511 37.584 38.000 0.157 0.000 1.075 344 I HN 0.410 nan 8.210 nan 0.000 0.433 345 H N 1.282 120.381 119.070 0.048 0.000 2.533 345 H HA 0.333 4.889 4.556 -0.000 0.000 0.281 345 H C 0.486 175.830 175.328 0.026 0.000 1.238 345 H CA -0.522 55.543 56.048 0.029 0.000 1.024 345 H CB -0.150 29.588 29.762 -0.041 0.000 1.604 345 H HN 0.134 nan 8.280 nan 0.000 0.531 346 R N 0.474 121.024 120.500 0.084 0.000 2.738 346 R HA 0.089 4.428 4.340 -0.000 0.000 0.268 346 R C -0.076 176.235 176.300 0.019 0.000 1.062 346 R CA -0.206 55.914 56.100 0.033 0.000 1.158 346 R CB 0.395 30.692 30.300 -0.005 0.000 1.046 346 R HN 0.432 nan 8.270 nan 0.000 0.493 347 C N 3.189 122.482 119.300 -0.011 0.000 2.665 347 C HA -0.033 4.427 4.460 -0.000 0.000 0.416 347 C C 2.178 177.151 174.990 -0.029 0.000 1.305 347 C CA -0.370 58.635 59.018 -0.023 0.000 1.903 347 C CB -0.410 27.305 27.740 -0.041 0.000 2.704 347 C HN 0.804 nan 8.230 nan 0.000 0.629 348 L N 4.113 125.287 121.223 -0.082 0.000 2.162 348 L HA 0.262 4.602 4.340 -0.000 0.000 0.205 348 L C 2.121 178.938 176.870 -0.089 0.000 1.086 348 L CA 2.126 56.878 54.840 -0.146 0.000 0.778 348 L CB -0.588 41.268 42.059 -0.339 0.000 0.928 348 L HN 0.858 nan 8.230 nan 0.000 0.446 349 G N -1.796 106.968 108.800 -0.061 0.000 3.371 349 G HA2 0.231 4.191 3.960 -0.000 0.000 0.248 349 G HA3 0.231 4.191 3.960 -0.000 0.000 0.248 349 G C 1.447 176.417 174.900 0.116 0.000 1.161 349 G CA 0.429 45.606 45.100 0.127 0.000 0.796 349 G HN 0.485 nan 8.290 nan 0.000 0.539 350 A N 0.548 123.411 122.820 0.071 0.000 1.954 350 A HA -0.289 4.031 4.320 -0.000 0.000 0.222 350 A C 2.090 179.723 177.584 0.083 0.000 1.199 350 A CA 2.115 54.181 52.037 0.048 0.000 0.657 350 A CB -0.629 18.393 19.000 0.038 0.000 0.823 350 A HN 0.488 nan 8.150 nan 0.000 0.463 351 H N -1.168 117.939 119.070 0.062 0.000 2.465 351 H HA 0.046 4.602 4.556 0.000 0.000 0.289 351 H C 1.924 177.292 175.328 0.068 0.000 1.022 351 H CA 1.344 57.429 56.048 0.063 0.000 1.340 351 H CB -0.183 29.618 29.762 0.065 0.000 1.437 351 H HN 0.369 nan 8.280 nan 0.000 0.539 352 L N 0.912 122.311 121.223 0.293 0.000 2.079 352 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 352 L C 2.276 179.223 176.870 0.128 0.000 1.081 352 L CA 1.322 56.288 54.840 0.211 0.000 0.752 352 L CB -0.952 41.219 42.059 0.187 0.000 0.896 352 L HN 0.234 nan 8.230 nan 0.000 0.433 353 I N -0.229 120.395 120.570 0.090 0.000 2.202 353 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 353 I C 2.615 178.760 176.117 0.046 0.000 1.091 353 I CA 1.427 62.761 61.300 0.057 0.000 1.368 353 I CB -0.470 37.536 38.000 0.010 0.000 1.058 353 I HN 0.272 nan 8.210 nan 0.000 0.410 354 R N -0.431 120.060 120.500 -0.015 0.000 2.091 354 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 354 R C 2.237 178.525 176.300 -0.019 0.000 1.136 354 R CA 1.781 57.852 56.100 -0.048 0.000 0.959 354 R CB -0.790 29.397 30.300 -0.188 0.000 0.856 354 R HN 0.297 nan 8.270 nan 0.000 0.437 355 V N 1.525 121.436 119.914 -0.005 0.000 2.295 355 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 355 V C 2.077 178.208 176.094 0.062 0.000 1.049 355 V CA 1.966 64.301 62.300 0.059 0.000 1.024 355 V CB -0.496 31.413 31.823 0.142 0.000 0.648 355 V HN 0.382 nan 8.190 nan 0.000 0.447 356 E N 0.495 120.734 120.200 0.066 0.000 2.070 356 E HA -0.260 4.090 4.350 -0.000 0.000 0.197 356 E C 2.293 178.918 176.600 0.042 0.000 1.004 356 E CA 1.504 57.938 56.400 0.056 0.000 0.805 356 E CB -0.396 29.340 29.700 0.060 0.000 0.744 356 E HN 0.612 nan 8.360 nan 0.000 0.451 357 A N 1.305 124.162 122.820 0.062 0.000 1.969 357 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 357 A C 2.078 179.675 177.584 0.022 0.000 1.169 357 A CA 1.447 53.507 52.037 0.040 0.000 0.635 357 A CB -0.367 18.728 19.000 0.158 0.000 0.810 357 A HN 0.013 nan 8.150 nan 0.000 0.445 358 R N -0.238 120.285 120.500 0.037 0.000 2.113 358 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 358 R C 2.170 178.491 176.300 0.036 0.000 1.129 358 R CA 2.279 58.399 56.100 0.034 0.000 0.915 358 R CB -0.998 29.324 30.300 0.036 0.000 0.837 358 R HN 0.429 nan 8.270 nan 0.000 0.430 359 V N 0.195 120.133 119.914 0.040 0.000 2.379 359 V HA -0.056 4.063 4.120 -0.000 0.000 0.245 359 V C 1.989 178.115 176.094 0.054 0.000 1.044 359 V CA 1.969 64.295 62.300 0.043 0.000 1.036 359 V CB -0.746 31.103 31.823 0.044 0.000 0.664 359 V HN 0.497 nan 8.190 nan 0.000 0.453 360 A N 0.908 123.755 122.820 0.046 0.000 1.873 360 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 360 A C 2.149 179.827 177.584 0.157 0.000 1.269 360 A CA 2.922 55.003 52.037 0.073 0.000 0.671 360 A CB -0.951 18.025 19.000 -0.040 0.000 0.842 360 A HN 0.641 nan 8.150 nan 0.000 0.460 361 I N -1.438 119.189 120.570 0.094 0.000 2.054 361 I HA -0.249 3.921 4.170 -0.000 0.000 0.231 361 I C 2.575 178.767 176.117 0.125 0.000 1.052 361 I CA 1.911 63.306 61.300 0.158 0.000 1.320 361 I CB -1.325 36.714 38.000 0.066 0.000 1.063 361 I HN 0.353 nan 8.210 nan 0.000 0.393 362 T N 0.546 115.138 114.554 0.063 0.000 2.731 362 T HA -0.283 4.067 4.350 -0.000 0.000 0.259 362 T C 1.678 176.387 174.700 0.015 0.000 1.054 362 T CA 2.091 64.211 62.100 0.032 0.000 1.158 362 T CB -0.328 68.557 68.868 0.028 0.000 0.847 362 T HN 0.359 nan 8.240 nan 0.000 0.470 363 E N -0.257 119.964 120.200 0.035 0.000 2.102 363 E HA 0.111 4.461 4.350 -0.000 0.000 0.190 363 E C 1.816 178.402 176.600 -0.024 0.000 0.971 363 E CA 0.347 56.749 56.400 0.003 0.000 0.821 363 E CB -0.505 29.204 29.700 0.014 0.000 0.777 363 E HN 0.589 nan 8.360 nan 0.000 0.460 364 F N 1.273 121.144 119.950 -0.132 0.000 2.408 364 F HA -0.051 4.475 4.527 -0.001 0.000 0.300 364 F C 1.729 177.342 175.800 -0.311 0.000 1.090 364 F CA 0.798 58.646 58.000 -0.254 0.000 1.427 364 F CB 0.075 38.919 39.000 -0.261 0.000 1.070 364 F HN -0.092 nan 8.300 nan 0.000 0.549 365 L N -0.701 120.328 121.223 -0.324 0.000 2.357 365 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 365 L C 2.376 179.055 176.870 -0.318 0.000 1.075 365 L CA 0.404 54.999 54.840 -0.408 0.000 0.830 365 L CB -0.513 41.445 42.059 -0.168 0.000 0.996 365 L HN -0.119 nan 8.230 nan 0.000 0.467 366 K N -0.026 120.248 120.400 -0.209 0.000 2.209 366 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 366 K C 2.218 178.702 176.600 -0.193 0.000 1.048 366 K CA 0.982 57.175 56.287 -0.157 0.000 0.940 366 K CB 0.239 32.679 32.500 -0.101 0.000 0.729 366 K HN 0.140 nan 8.250 nan 0.000 0.451 367 R N 0.131 120.465 120.500 -0.276 0.000 2.048 367 R HA 0.085 4.425 4.340 -0.000 0.000 0.221 367 R C 1.180 177.249 176.300 -0.385 0.000 1.174 367 R CA 0.728 56.654 56.100 -0.289 0.000 0.971 367 R CB -0.058 30.067 30.300 -0.293 0.000 0.863 367 R HN 0.096 nan 8.270 nan 0.000 0.439 368 I N 3.998 124.170 120.570 -0.663 0.000 3.004 368 I HA 0.164 4.334 4.170 -0.000 0.000 0.328 368 I C -1.748 173.974 176.117 -0.658 0.000 1.296 368 I CA -2.157 58.702 61.300 -0.736 0.000 1.005 368 I CB 0.069 37.353 38.000 -1.194 0.000 1.928 368 I HN -0.072 nan 8.210 nan 0.000 0.545 369 P HA -0.123 nan 4.420 nan 0.000 0.226 369 P C 0.034 177.331 177.300 -0.005 0.000 1.146 369 P CA 1.189 64.166 63.100 -0.205 0.000 0.773 369 P CB 0.441 32.064 31.700 -0.129 0.000 0.772 370 E N 0.499 120.723 120.200 0.041 0.000 2.220 370 E HA 0.504 4.854 4.350 -0.000 0.000 0.256 370 E C -0.634 176.198 176.600 0.387 0.000 0.881 370 E CA -0.719 55.804 56.400 0.206 0.000 0.766 370 E CB 1.222 30.990 29.700 0.112 0.000 1.187 370 E HN 0.159 nan 8.360 nan 0.000 0.419 371 F N -0.442 119.558 119.950 0.084 0.000 2.654 371 F HA 0.630 5.159 4.527 0.003 0.000 0.314 371 F C -1.023 174.877 175.800 0.168 0.000 1.116 371 F CA -0.962 57.163 58.000 0.208 0.000 1.017 371 F CB 1.534 40.680 39.000 0.243 0.000 1.285 371 F HN 0.290 nan 8.300 nan 0.000 0.448 372 S N 3.345 119.083 115.700 0.063 0.000 2.638 372 S HA 0.695 5.165 4.470 -0.000 0.000 0.302 372 S C -0.540 174.057 174.600 -0.005 0.000 1.096 372 S CA -0.752 57.392 58.200 -0.093 0.000 0.953 372 S CB 1.600 64.786 63.200 -0.023 0.000 1.107 372 S HN 0.818 nan 8.310 nan 0.000 0.503 373 L N 1.744 122.957 121.223 -0.017 0.000 2.461 373 L HA 0.231 4.571 4.340 -0.000 0.000 0.259 373 L C 0.569 177.491 176.870 0.087 0.000 1.248 373 L CA 0.071 54.958 54.840 0.077 0.000 0.823 373 L CB 0.253 42.371 42.059 0.098 0.000 1.111 373 L HN 0.699 nan 8.230 nan 0.000 0.516 374 D N -0.355 120.113 120.400 0.112 0.000 2.163 374 D HA 0.225 4.865 4.640 -0.000 0.000 0.248 374 D C -1.949 174.388 176.300 0.061 0.000 1.035 374 D CA -1.609 52.438 54.000 0.077 0.000 0.872 374 D CB 2.257 43.106 40.800 0.081 0.000 1.183 374 D HN 0.180 nan 8.370 nan 0.000 0.445 375 P HA 0.059 nan 4.420 nan 0.000 0.215 375 P C 0.350 177.664 177.300 0.023 0.000 1.160 375 P CA 0.585 63.700 63.100 0.025 0.000 0.869 375 P CB 0.409 32.116 31.700 0.011 0.000 0.782 376 N N 0.256 118.966 118.700 0.016 0.000 2.451 376 N HA 0.119 4.859 4.740 -0.000 0.000 0.264 376 N C -0.202 175.318 175.510 0.016 0.000 1.167 376 N CA 0.335 53.392 53.050 0.011 0.000 0.898 376 N CB 0.397 38.885 38.487 0.001 0.000 1.176 376 N HN 0.220 nan 8.380 nan 0.000 0.507 377 K N 0.549 120.969 120.400 0.032 0.000 2.523 377 K HA 0.330 4.650 4.320 -0.000 0.000 0.257 377 K C -0.594 176.043 176.600 0.062 0.000 0.932 377 K CA -0.558 55.753 56.287 0.040 0.000 0.812 377 K CB 2.601 35.129 32.500 0.047 0.000 1.326 377 K HN -0.075 nan 8.250 nan 0.000 0.433 378 E N 0.806 121.039 120.200 0.055 0.000 2.222 378 E HA 0.401 4.751 4.350 -0.000 0.000 0.267 378 E C -0.750 175.907 176.600 0.095 0.000 0.963 378 E CA -0.641 55.802 56.400 0.072 0.000 0.837 378 E CB 1.659 31.386 29.700 0.044 0.000 1.183 378 E HN 0.557 nan 8.360 nan 0.000 0.403 379 C N 1.329 120.696 119.300 0.111 0.000 2.281 379 C HA 0.413 4.873 4.460 -0.000 0.000 0.325 379 C C 0.560 175.597 174.990 0.077 0.000 1.282 379 C CA -0.856 58.231 59.018 0.114 0.000 1.640 379 C CB -0.127 27.671 27.740 0.096 0.000 2.288 379 C HN 0.619 nan 8.230 nan 0.000 0.507 380 E N 2.660 122.930 120.200 0.116 0.000 2.249 380 E HA 0.225 4.575 4.350 -0.000 0.000 0.280 380 E C -1.096 175.589 176.600 0.143 0.000 1.016 380 E CA -0.436 56.037 56.400 0.121 0.000 0.830 380 E CB 0.917 30.693 29.700 0.127 0.000 1.081 380 E HN 0.843 nan 8.360 nan 0.000 0.395 381 W N 7.570 128.836 121.300 -0.056 0.000 2.376 381 W HA 0.299 4.961 4.660 0.004 0.000 0.312 381 W C -1.511 174.984 176.519 -0.039 0.000 1.060 381 W CA -0.937 56.358 57.345 -0.083 0.000 1.221 381 W CB 0.930 30.311 29.460 -0.131 0.000 1.281 381 W HN 0.450 nan 8.180 nan 0.000 0.456 382 L N 6.997 127.863 121.223 -0.595 0.000 2.439 382 L HA 0.312 4.652 4.340 -0.000 0.000 0.269 382 L C 0.017 176.524 176.870 -0.605 0.000 1.179 382 L CA 0.499 55.056 54.840 -0.471 0.000 0.828 382 L CB 0.863 42.676 42.059 -0.410 0.000 1.106 382 L HN 0.484 nan 8.230 nan 0.000 0.467 383 M N 2.706 122.135 119.600 -0.286 0.000 2.819 383 M HA 0.784 5.264 4.480 -0.000 0.000 0.300 383 M C 0.268 176.369 176.300 -0.331 0.000 1.237 383 M CA -0.374 54.814 55.300 -0.187 0.000 0.813 383 M CB 1.870 34.432 32.600 -0.063 0.000 1.755 383 M HN 0.790 nan 8.290 nan 0.000 0.484 384 G N 0.395 108.943 108.800 -0.420 0.000 2.462 384 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.685 384 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.685 384 G C -0.309 174.250 174.900 -0.569 0.000 1.295 384 G CA -0.060 44.472 45.100 -0.945 0.000 0.941 384 G HN 0.730 nan 8.290 nan 0.000 0.554 385 Q N -1.400 118.048 119.800 -0.586 0.000 2.182 385 Q HA -0.069 4.271 4.340 -0.000 0.000 0.213 385 Q C 1.282 177.195 176.000 -0.145 0.000 1.000 385 Q CA 2.505 58.208 55.803 -0.168 0.000 0.889 385 Q CB -0.174 28.585 28.738 0.037 0.000 0.932 385 Q HN 0.971 nan 8.270 nan 0.000 0.415 386 V N -0.039 119.783 119.914 -0.154 0.000 2.444 386 V HA 0.754 4.874 4.120 -0.000 0.000 0.294 386 V C -0.865 175.114 176.094 -0.192 0.000 1.022 386 V CA -0.192 62.041 62.300 -0.113 0.000 0.850 386 V CB 1.310 33.100 31.823 -0.054 0.000 0.992 386 V HN 0.220 nan 8.190 nan 0.000 0.426 387 A N 3.527 126.230 122.820 -0.195 0.000 2.422 387 A HA 1.024 5.344 4.320 -0.000 0.000 0.302 387 A C -0.013 177.200 177.584 -0.618 0.000 1.041 387 A CA 0.145 51.945 52.037 -0.395 0.000 0.708 387 A CB 2.071 20.895 19.000 -0.294 0.000 1.257 387 A HN 1.209 nan 8.150 nan 0.000 0.414 388 G N 0.738 108.916 108.800 -1.037 0.000 2.772 388 G HA2 0.532 4.492 3.960 -0.000 0.000 0.284 388 G HA3 0.532 4.492 3.960 -0.000 0.000 0.284 388 G C -1.102 173.166 174.900 -1.054 0.000 1.217 388 G CA -0.636 43.816 45.100 -1.079 0.000 0.831 388 G HN 0.509 nan 8.290 nan 0.000 0.523 389 M N 1.009 120.387 119.600 -0.371 0.000 2.233 389 M HA 0.402 4.882 4.480 -0.000 0.000 0.355 389 M C 0.735 176.952 176.300 -0.140 0.000 1.191 389 M CA -0.568 54.648 55.300 -0.141 0.000 1.101 389 M CB 1.350 33.943 32.600 -0.012 0.000 1.592 389 M HN 0.440 nan 8.290 nan 0.000 0.461 390 L N 3.011 124.190 121.223 -0.074 0.000 2.221 390 L HA 0.167 4.507 4.340 -0.000 0.000 0.202 390 L C -0.100 176.638 176.870 -0.221 0.000 1.074 390 L CA 1.605 56.395 54.840 -0.084 0.000 0.795 390 L CB 0.041 42.155 42.059 0.091 0.000 0.960 390 L HN 0.697 nan 8.230 nan 0.000 0.458 391 H N -1.941 117.148 119.070 0.032 0.000 2.717 391 H HA 0.648 5.204 4.556 -0.001 0.000 0.366 391 H C -1.040 174.351 175.328 0.105 0.000 1.132 391 H CA -0.508 55.582 56.048 0.070 0.000 1.180 391 H CB 1.874 31.671 29.762 0.059 0.000 1.678 391 H HN -0.188 nan 8.280 nan 0.000 0.537 392 V N 0.564 120.629 119.914 0.250 0.000 2.670 392 V HA 0.369 4.489 4.120 -0.000 0.000 0.258 392 V C -2.994 173.270 176.094 0.283 0.000 0.906 392 V CA -1.717 60.757 62.300 0.289 0.000 0.887 392 V CB 0.726 32.755 31.823 0.344 0.000 1.059 392 V HN 0.553 nan 8.190 nan 0.000 0.484 393 P HA 0.421 nan 4.420 nan 0.000 0.268 393 P C -0.170 177.258 177.300 0.212 0.000 1.204 393 P CA 0.343 63.561 63.100 0.197 0.000 0.768 393 P CB 1.801 33.583 31.700 0.136 0.000 0.842 394 I N 0.960 121.664 120.570 0.223 0.000 3.322 394 I HA 0.724 4.894 4.170 -0.000 0.000 0.313 394 I C -0.512 175.707 176.117 0.170 0.000 1.129 394 I CA -1.774 59.673 61.300 0.246 0.000 0.963 394 I CB 2.484 40.735 38.000 0.420 0.000 1.273 394 I HN 0.250 nan 8.210 nan 0.000 0.473 395 I N 0.906 121.575 120.570 0.164 0.000 2.571 395 I HA 0.638 4.807 4.170 -0.000 0.000 0.286 395 I C -1.600 174.582 176.117 0.109 0.000 1.134 395 I CA -0.445 60.860 61.300 0.008 0.000 1.052 395 I CB 1.831 39.816 38.000 -0.026 0.000 1.237 395 I HN 0.748 nan 8.210 nan 0.000 0.435 396 F N 4.285 124.315 119.950 0.134 0.000 2.611 396 F HA 0.947 5.474 4.527 -0.001 0.000 0.324 396 F C -3.068 172.777 175.800 0.075 0.000 1.061 396 F CA -3.251 54.836 58.000 0.145 0.000 0.954 396 F CB 0.580 39.707 39.000 0.212 0.000 1.301 396 F HN 0.130 nan 8.300 nan 0.000 0.482 397 P HA 0.113 nan 4.420 nan 0.000 0.276 397 P C -0.713 176.771 177.300 0.308 0.000 1.243 397 P CA -0.328 62.886 63.100 0.191 0.000 0.768 397 P CB 0.623 32.409 31.700 0.144 0.000 0.856 398 K N 1.801 122.291 120.400 0.150 0.000 2.570 398 K HA 0.200 4.520 4.320 -0.000 0.000 0.274 398 K C 0.850 177.568 176.600 0.196 0.000 0.967 398 K CA 0.870 57.263 56.287 0.177 0.000 0.963 398 K CB -0.360 32.179 32.500 0.064 0.000 0.883 398 K HN 0.736 nan 8.250 nan 0.000 0.519 399 G N 0.243 109.149 108.800 0.176 0.000 2.600 399 G HA2 0.397 4.357 3.960 -0.000 0.000 0.293 399 G HA3 0.397 4.357 3.960 -0.000 0.000 0.293 399 G C -1.288 173.652 174.900 0.067 0.000 1.408 399 G CA -0.755 44.403 45.100 0.095 0.000 0.782 399 G HN 0.311 nan 8.290 nan 0.000 0.482 400 K N -0.252 120.168 120.400 0.033 0.000 2.168 400 K HA 0.569 4.889 4.320 -0.000 0.000 0.239 400 K C -0.306 176.306 176.600 0.020 0.000 0.999 400 K CA -0.727 55.575 56.287 0.026 0.000 0.900 400 K CB 1.818 34.326 32.500 0.013 0.000 1.111 400 K HN 0.375 nan 8.250 nan 0.000 0.452 401 R N 1.289 121.802 120.500 0.022 0.000 2.460 401 R HA 0.262 4.602 4.340 -0.000 0.000 0.303 401 R C 1.028 177.334 176.300 0.010 0.000 0.968 401 R CA -0.388 55.724 56.100 0.020 0.000 0.889 401 R CB 0.872 31.191 30.300 0.031 0.000 1.123 401 R HN 0.470 nan 8.270 nan 0.000 0.455 402 L N 0.958 122.183 121.223 0.003 0.000 2.291 402 L HA -0.037 4.303 4.340 -0.000 0.000 0.214 402 L C 0.503 177.376 176.870 0.004 0.000 1.120 402 L CA 0.925 55.765 54.840 -0.001 0.000 0.799 402 L CB -0.002 42.053 42.059 -0.007 0.000 0.925 402 L HN 0.691 nan 8.230 nan 0.000 0.446 403 S N -1.853 113.852 115.700 0.009 0.000 2.595 403 S HA 0.611 5.081 4.470 -0.000 0.000 0.281 403 S C -0.522 174.087 174.600 0.015 0.000 1.117 403 S CA -0.759 57.448 58.200 0.010 0.000 0.873 403 S CB 3.191 66.397 63.200 0.010 0.000 1.108 403 S HN 0.142 nan 8.310 nan 0.000 0.477 404 E N 0.000 120.208 120.200 0.013 0.000 2.725 404 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 404 E CA 0.000 56.409 56.400 0.015 0.000 0.976 404 E CB 0.000 29.712 29.700 0.021 0.000 0.812 404 E HN 0.000 nan 8.360 nan 0.000 0.440