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 1ht8_1_A DATA FIRST_RESID 33 DATA SEQUENCE VNPccYYPcQ HQGIcVRFGL DRYQcDcTRT GYSGPNcTIP EIWTWLRTTL DATA SEQUENCE RPSPSFIHFL LTHGRWLWDF VNATFIRDTL MRLVLTVRSN LIPSPPTYNI DATA SEQUENCE AHDYISWESF SNVSYYTRIL PSVPRDcPTP MGTKGKKQLP DAEFLSRRFL DATA SEQUENCE LRRKFIPDPQ GTNLMFAFFA QHFTHQFFKT SGKMGPGFTK ALGHGVDLGH DATA SEQUENCE IYGDNLERQY QLRLFKDGKL KYQMLNGEVY PPSVEEAPVL MHYPRGIPPQ DATA SEQUENCE SQMAVGQEVF GLLPGLMLYA TIWLREHNRV CDLLKAEHPT WGDEQLFQTA DATA SEQUENCE RLILIGETIK IVIEEYVQQL SGYFLQLKFD PELLFGAQFQ YRNRIAMEFN DATA SEQUENCE QLYHWHPLMP DSFRVGPQDY SYEQFLFNTS MLVDYGVEAL VDAFSRQPAG DATA SEQUENCE RIGGGRNIDH HILHVAVDVI KESRVLRLQP FNEYRKRFGM KPYTSFQELT DATA SEQUENCE GEKEMAAELE ELYGDIDALE FYPGLLLEKC HPNSIFGESM IEMGAPFSLK DATA SEQUENCE GLLGNPICSP EYWKASTFGG EVGFNLVKTA TLKKLVcLNT KTcPYVSFHV DATA SEQUENCE P 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 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.131 176.094 0.062 0.000 1.182 33 V CA 0.000 62.328 62.300 0.047 0.000 1.235 33 V CB 0.000 31.833 31.823 0.016 0.000 1.184 34 N N 4.027 122.730 118.700 0.004 0.000 2.429 34 N HA 0.281 5.021 4.740 -0.000 0.000 0.271 34 N C -0.905 174.615 175.510 0.016 0.000 1.272 34 N CA -0.946 52.105 53.050 0.001 0.000 0.921 34 N CB 1.195 39.654 38.487 -0.046 0.000 1.128 34 N HN 0.673 nan 8.380 nan 0.000 0.481 35 P HA -0.148 nan 4.420 nan 0.000 0.217 35 P C 0.899 178.147 177.300 -0.085 0.000 1.148 35 P CA 1.074 64.231 63.100 0.096 0.000 0.828 35 P CB 0.019 31.808 31.700 0.148 0.000 0.783 36 c N -0.970 117.545 118.600 -0.141 0.000 2.449 36 c HA -0.026 4.544 4.570 -0.000 0.000 0.283 36 c C 2.876 176.764 174.090 -0.337 0.000 1.453 36 c CA 0.295 56.500 56.329 -0.206 0.000 1.779 36 c CB -2.267 40.175 42.510 -0.113 0.000 1.779 36 c HN 0.352 nan 8.230 nan 0.000 0.546 37 c N -0.636 117.732 118.600 -0.387 0.000 2.449 37 c HA -0.067 4.503 4.570 -0.000 0.000 0.283 37 c C 1.859 175.367 174.090 -0.970 0.000 1.453 37 c CA 0.597 56.531 56.329 -0.659 0.000 1.779 37 c CB -1.763 40.413 42.510 -0.556 0.000 1.779 37 c HN 0.706 nan 8.230 nan 0.000 0.546 38 Y N -1.987 117.977 120.300 -0.560 0.000 2.457 38 Y HA 0.190 4.740 4.550 -0.000 0.000 0.263 38 Y C 0.595 176.283 175.900 -0.353 0.000 1.164 38 Y CA -0.304 57.540 58.100 -0.425 0.000 1.274 38 Y CB -0.616 37.697 38.460 -0.245 0.000 1.097 38 Y HN 0.226 nan 8.280 nan 0.000 0.523 39 Y N -1.091 119.186 120.300 -0.038 0.000 3.108 39 Y HA -0.244 4.306 4.550 -0.000 0.000 0.208 39 Y C -1.355 174.489 175.900 -0.094 0.000 1.245 39 Y CA -0.511 57.538 58.100 -0.085 0.000 1.171 39 Y CB -2.086 36.321 38.460 -0.087 0.000 1.331 39 Y HN 0.228 nan 8.280 nan 0.000 0.534 40 P HA -0.171 nan 4.420 nan 0.000 0.215 40 P C 0.510 177.794 177.300 -0.027 0.000 1.153 40 P CA 1.523 64.565 63.100 -0.097 0.000 0.853 40 P CB 0.024 31.508 31.700 -0.360 0.000 0.788 41 c N 2.853 121.444 118.600 -0.015 0.000 2.657 41 c HA 0.215 4.785 4.570 -0.000 0.000 0.404 41 c C 0.980 175.035 174.090 -0.058 0.000 1.369 41 c CA -0.504 55.833 56.329 0.014 0.000 1.665 41 c CB -1.347 41.192 42.510 0.048 0.000 2.453 41 c HN 0.294 nan 8.230 nan 0.000 0.599 42 Q N 0.523 120.258 119.800 -0.110 0.000 2.185 42 Q HA 0.237 4.577 4.340 -0.000 0.000 0.225 42 Q C 0.496 176.312 176.000 -0.307 0.000 0.983 42 Q CA -0.478 55.137 55.803 -0.314 0.000 0.950 42 Q CB 0.174 28.637 28.738 -0.459 0.000 1.176 42 Q HN 0.886 nan 8.270 nan 0.000 0.510 43 H N 0.676 119.586 119.070 -0.267 0.000 2.484 43 H HA -0.239 4.317 4.556 -0.000 0.000 0.321 43 H C -0.172 175.075 175.328 -0.135 0.000 1.065 43 H CA 0.899 56.790 56.048 -0.261 0.000 1.118 43 H CB -1.574 27.870 29.762 -0.529 0.000 1.511 43 H HN 0.596 nan 8.280 nan 0.000 0.403 44 Q N -3.468 116.283 119.800 -0.082 0.000 2.424 44 Q HA -0.158 4.182 4.340 -0.000 0.000 0.234 44 Q C 1.073 177.075 176.000 0.003 0.000 0.748 44 Q CA 0.780 56.552 55.803 -0.052 0.000 1.286 44 Q CB -1.409 27.304 28.738 -0.042 0.000 1.494 44 Q HN 0.802 nan 8.270 nan 0.000 0.683 45 G N 0.765 109.573 108.800 0.013 0.000 2.491 45 G HA2 0.442 4.402 3.960 -0.000 0.000 0.242 45 G HA3 0.442 4.402 3.960 -0.000 0.000 0.242 45 G C -0.029 174.909 174.900 0.063 0.000 1.266 45 G CA -0.375 44.757 45.100 0.054 0.000 0.844 45 G HN 0.206 nan 8.290 nan 0.000 0.571 46 I N 0.955 121.583 120.570 0.096 0.000 2.321 46 I HA 0.151 4.321 4.170 -0.000 0.000 0.291 46 I C 0.353 176.542 176.117 0.120 0.000 0.998 46 I CA -0.552 60.815 61.300 0.112 0.000 1.227 46 I CB 1.479 39.563 38.000 0.139 0.000 1.368 46 I HN 0.340 nan 8.210 nan 0.000 0.466 47 c N 8.122 126.776 118.600 0.091 0.000 2.555 47 c HA 0.496 5.066 4.570 -0.000 0.000 0.385 47 c C 0.255 174.400 174.090 0.092 0.000 1.296 47 c CA -0.131 56.260 56.329 0.103 0.000 1.757 47 c CB -0.800 41.722 42.510 0.020 0.000 2.445 47 c HN 0.566 nan 8.230 nan 0.000 0.571 48 V N 7.123 127.134 119.914 0.161 0.000 2.604 48 V HA 0.491 4.610 4.120 -0.000 0.000 0.305 48 V C -0.010 176.118 176.094 0.057 0.000 1.043 48 V CA -0.786 61.537 62.300 0.038 0.000 0.888 48 V CB 1.827 33.642 31.823 -0.013 0.000 0.995 48 V HN 0.782 nan 8.190 nan 0.000 0.429 49 R N 2.419 122.853 120.500 -0.109 0.000 2.298 49 R HA 0.570 4.910 4.340 -0.000 0.000 0.310 49 R C -1.499 174.658 176.300 -0.239 0.000 1.068 49 R CA 0.183 56.252 56.100 -0.052 0.000 0.957 49 R CB 0.405 30.663 30.300 -0.071 0.000 1.003 49 R HN 0.551 nan 8.270 nan 0.000 0.454 50 F N 2.752 122.723 119.950 0.035 0.000 2.556 50 F HA 0.540 5.067 4.527 -0.000 0.000 0.314 50 F C 0.969 176.771 175.800 0.004 0.000 1.106 50 F CA 0.259 58.262 58.000 0.006 0.000 0.911 50 F CB 2.270 41.264 39.000 -0.009 0.000 1.190 50 F HN 0.796 nan 8.300 nan 0.000 0.448 51 G N 2.361 111.267 108.800 0.176 0.000 2.697 51 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.240 51 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.240 51 G C 0.491 175.429 174.900 0.064 0.000 1.346 51 G CA -0.079 45.082 45.100 0.101 0.000 0.887 51 G HN 0.732 nan 8.290 nan 0.000 0.569 52 L N 0.706 121.958 121.223 0.049 0.000 2.313 52 L HA 0.172 4.512 4.340 -0.000 0.000 0.214 52 L C 2.052 178.951 176.870 0.048 0.000 1.119 52 L CA 1.992 56.855 54.840 0.038 0.000 0.809 52 L CB -0.195 41.881 42.059 0.029 0.000 0.933 52 L HN 0.802 nan 8.230 nan 0.000 0.449 53 D N -3.134 117.305 120.400 0.065 0.000 2.460 53 D HA 0.026 4.666 4.640 -0.000 0.000 0.263 53 D C 0.867 177.239 176.300 0.120 0.000 1.209 53 D CA -0.281 53.767 54.000 0.081 0.000 0.818 53 D CB 0.265 41.103 40.800 0.064 0.000 1.239 53 D HN 0.000 nan 8.370 nan 0.000 0.530 54 R N -0.211 120.360 120.500 0.119 0.000 2.584 54 R HA 0.563 4.903 4.340 -0.000 0.000 0.253 54 R C -0.489 175.963 176.300 0.252 0.000 1.251 54 R CA -0.465 55.711 56.100 0.126 0.000 1.129 54 R CB 0.347 30.675 30.300 0.048 0.000 1.239 54 R HN 0.209 nan 8.270 nan 0.000 0.595 55 Y N -2.736 117.648 120.300 0.140 0.000 2.702 55 Y HA 0.367 4.917 4.550 -0.000 0.000 0.336 55 Y C -1.953 174.059 175.900 0.188 0.000 1.203 55 Y CA -1.146 57.065 58.100 0.185 0.000 1.072 55 Y CB 1.263 39.786 38.460 0.103 0.000 1.327 55 Y HN 0.456 nan 8.280 nan 0.000 0.456 56 Q N 1.101 121.136 119.800 0.392 0.000 2.377 56 Q HA 0.663 5.003 4.340 -0.000 0.000 0.279 56 Q C -1.864 174.338 176.000 0.335 0.000 1.049 56 Q CA -0.965 54.952 55.803 0.190 0.000 0.825 56 Q CB 3.099 31.893 28.738 0.094 0.000 1.401 56 Q HN 0.857 nan 8.270 nan 0.000 0.404 57 c N 1.457 120.196 118.600 0.232 0.000 2.281 57 c HA 0.296 4.865 4.570 -0.000 0.000 0.323 57 c C -0.241 173.935 174.090 0.144 0.000 1.270 57 c CA -0.646 55.807 56.329 0.206 0.000 1.559 57 c CB 0.348 42.975 42.510 0.196 0.000 2.239 57 c HN 0.649 nan 8.230 nan 0.000 0.488 58 D N 2.040 122.525 120.400 0.142 0.000 2.393 58 D HA 0.174 4.814 4.640 -0.000 0.000 0.232 58 D C 0.481 176.843 176.300 0.102 0.000 1.192 58 D CA -0.241 53.828 54.000 0.115 0.000 0.882 58 D CB 0.554 41.427 40.800 0.121 0.000 1.038 58 D HN 0.646 nan 8.370 nan 0.000 0.499 59 c N 2.947 121.605 118.600 0.097 0.000 2.625 59 c HA 0.142 4.712 4.570 -0.000 0.000 0.285 59 c C 0.873 175.021 174.090 0.098 0.000 1.279 59 c CA -0.392 56.001 56.329 0.107 0.000 1.698 59 c CB -1.623 40.961 42.510 0.123 0.000 1.821 59 c HN 0.541 nan 8.230 nan 0.000 0.600 60 T N 1.831 116.432 114.554 0.079 0.000 2.819 60 T HA -0.023 4.327 4.350 -0.000 0.000 0.282 60 T C 0.955 175.693 174.700 0.063 0.000 1.013 60 T CA 0.694 62.833 62.100 0.064 0.000 1.159 60 T CB -0.051 68.849 68.868 0.053 0.000 1.007 60 T HN 0.615 nan 8.240 nan 0.000 0.514 61 R N 0.407 120.941 120.500 0.057 0.000 3.610 61 R HA -0.220 4.120 4.340 -0.000 0.000 0.274 61 R C 1.507 177.850 176.300 0.071 0.000 1.123 61 R CA 1.113 57.244 56.100 0.051 0.000 0.747 61 R CB -2.121 28.197 30.300 0.031 0.000 1.149 61 R HN 0.942 nan 8.270 nan 0.000 0.471 62 T N -5.214 109.408 114.554 0.114 0.000 3.044 62 T HA 0.275 4.625 4.350 -0.000 0.000 0.250 62 T C 1.447 176.297 174.700 0.249 0.000 1.081 62 T CA 0.769 62.978 62.100 0.180 0.000 1.040 62 T CB 1.003 70.003 68.868 0.221 0.000 0.962 62 T HN 0.615 nan 8.240 nan 0.000 0.506 63 G N 0.286 109.165 108.800 0.132 0.000 2.175 63 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.244 63 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.244 63 G C -0.213 174.549 174.900 -0.229 0.000 0.982 63 G CA 0.155 45.232 45.100 -0.039 0.000 0.641 63 G HN 0.620 nan 8.290 nan 0.000 0.527 64 Y N 0.443 120.750 120.300 0.011 0.000 2.634 64 Y HA 0.758 5.308 4.550 -0.000 0.000 0.340 64 Y C 0.611 176.536 175.900 0.042 0.000 1.058 64 Y CA -0.440 57.672 58.100 0.019 0.000 1.081 64 Y CB 2.082 40.554 38.460 0.021 0.000 1.295 64 Y HN 0.575 nan 8.280 nan 0.000 0.487 65 S N -0.546 115.285 115.700 0.218 0.000 2.840 65 S HA 0.949 5.419 4.470 -0.000 0.000 0.307 65 S C -0.207 174.470 174.600 0.128 0.000 1.180 65 S CA -0.449 57.832 58.200 0.135 0.000 0.846 65 S CB 1.521 64.768 63.200 0.079 0.000 1.233 65 S HN 1.891 nan 8.310 nan 0.000 0.548 66 G N 0.508 109.358 108.800 0.082 0.000 2.663 66 G HA2 0.048 4.008 3.960 -0.000 0.000 0.686 66 G HA3 0.048 4.008 3.960 -0.000 0.000 0.686 66 G C -2.321 172.618 174.900 0.065 0.000 1.288 66 G CA -0.274 44.867 45.100 0.067 0.000 0.836 66 G HN 0.651 nan 8.290 nan 0.000 0.584 67 P HA -0.097 nan 4.420 nan 0.000 0.216 67 P C 1.204 178.572 177.300 0.114 0.000 1.157 67 P CA 1.886 65.013 63.100 0.045 0.000 0.880 67 P CB 0.024 31.739 31.700 0.024 0.000 0.791 68 N N -2.605 116.165 118.700 0.118 0.000 2.234 68 N HA 0.097 4.837 4.740 -0.000 0.000 0.227 68 N C -0.526 175.037 175.510 0.088 0.000 1.151 68 N CA 0.012 53.135 53.050 0.122 0.000 0.865 68 N CB -0.363 38.181 38.487 0.094 0.000 1.066 68 N HN 0.056 nan 8.380 nan 0.000 0.515 69 c N 0.725 119.393 118.600 0.113 0.000 4.354 69 c HA -0.102 4.468 4.570 -0.000 0.000 0.307 69 c C 1.641 175.817 174.090 0.144 0.000 1.318 69 c CA 0.891 57.307 56.329 0.146 0.000 2.060 69 c CB -3.082 39.496 42.510 0.114 0.000 1.283 69 c HN 0.597 nan 8.230 nan 0.000 0.723 70 T N -3.888 110.776 114.554 0.183 0.000 2.959 70 T HA 0.334 4.684 4.350 -0.000 0.000 0.254 70 T C 0.344 175.258 174.700 0.357 0.000 1.003 70 T CA 0.024 62.255 62.100 0.218 0.000 0.950 70 T CB 0.256 69.208 68.868 0.141 0.000 1.090 70 T HN 0.631 nan 8.240 nan 0.000 0.503 71 I N 5.176 125.920 120.570 0.291 0.000 2.329 71 I HA 0.242 4.412 4.170 -0.000 0.000 0.295 71 I C -2.222 174.004 176.117 0.181 0.000 1.109 71 I CA -2.317 59.104 61.300 0.203 0.000 1.297 71 I CB 0.424 38.489 38.000 0.109 0.000 1.433 71 I HN 0.029 nan 8.210 nan 0.000 0.509 72 P HA 0.108 nan 4.420 nan 0.000 0.271 72 P C -0.335 176.873 177.300 -0.152 0.000 1.216 72 P CA -0.088 62.861 63.100 -0.252 0.000 0.776 72 P CB 0.928 32.570 31.700 -0.097 0.000 0.881 73 E N 1.106 121.174 120.200 -0.221 0.000 2.376 73 E HA 0.037 4.387 4.350 -0.000 0.000 0.254 73 E C 1.229 177.805 176.600 -0.040 0.000 1.213 73 E CA -0.633 55.716 56.400 -0.085 0.000 0.945 73 E CB 0.376 30.051 29.700 -0.042 0.000 1.057 73 E HN 0.330 nan 8.360 nan 0.000 0.479 74 I N 0.205 120.745 120.570 -0.049 0.000 2.163 74 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 74 I C 1.365 177.405 176.117 -0.129 0.000 1.085 74 I CA 1.625 62.847 61.300 -0.130 0.000 1.347 74 I CB -0.128 37.702 38.000 -0.284 0.000 1.044 74 I HN 0.586 nan 8.210 nan 0.000 0.408 75 W N 0.234 121.545 121.300 0.017 0.000 2.436 75 W HA -0.084 4.576 4.660 -0.000 0.000 0.284 75 W C 2.629 179.125 176.519 -0.038 0.000 1.225 75 W CA 1.363 58.710 57.345 0.004 0.000 1.271 75 W CB -1.058 28.394 29.460 -0.014 0.000 1.114 75 W HN -0.018 nan 8.180 nan 0.000 0.559 76 T N -0.472 114.137 114.554 0.091 0.000 2.708 76 T HA -0.284 4.066 4.350 -0.000 0.000 0.266 76 T C 1.223 175.866 174.700 -0.094 0.000 1.037 76 T CA 1.705 63.748 62.100 -0.095 0.000 1.146 76 T CB -0.746 67.871 68.868 -0.418 0.000 0.865 76 T HN 0.310 nan 8.240 nan 0.000 0.435 77 W N 1.706 122.903 121.300 -0.171 0.000 2.335 77 W HA -0.053 4.607 4.660 -0.000 0.000 0.311 77 W C 1.842 178.315 176.519 -0.076 0.000 1.213 77 W CA 0.942 58.212 57.345 -0.124 0.000 1.274 77 W CB -0.608 28.773 29.460 -0.132 0.000 1.148 77 W HN 0.147 nan 8.180 nan 0.000 0.498 78 L N 0.196 121.360 121.223 -0.099 0.000 2.012 78 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 78 L C 2.766 179.485 176.870 -0.253 0.000 1.073 78 L CA 1.983 56.682 54.840 -0.235 0.000 0.748 78 L CB -1.031 41.016 42.059 -0.021 0.000 0.891 78 L HN 0.015 nan 8.230 nan 0.000 0.431 79 R N 0.047 120.484 120.500 -0.105 0.000 2.091 79 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 79 R C 2.359 178.577 176.300 -0.138 0.000 1.136 79 R CA 2.151 58.211 56.100 -0.067 0.000 0.959 79 R CB -0.248 30.057 30.300 0.009 0.000 0.856 79 R HN 0.513 nan 8.270 nan 0.000 0.437 80 T N -2.728 111.703 114.554 -0.205 0.000 2.995 80 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 80 T C 1.783 176.316 174.700 -0.278 0.000 1.091 80 T CA 1.297 63.283 62.100 -0.189 0.000 1.128 80 T CB -0.213 68.573 68.868 -0.135 0.000 0.891 80 T HN 0.431 nan 8.240 nan 0.000 0.492 81 T N -0.712 113.549 114.554 -0.488 0.000 3.057 81 T HA 0.273 4.623 4.350 -0.000 0.000 0.254 81 T C 1.501 176.012 174.700 -0.314 0.000 1.094 81 T CA -0.056 61.753 62.100 -0.485 0.000 1.088 81 T CB -0.271 68.069 68.868 -0.881 0.000 0.934 81 T HN 0.208 nan 8.240 nan 0.000 0.497 82 L N 0.430 121.495 121.223 -0.264 0.000 2.585 82 L HA 0.420 4.760 4.340 -0.000 0.000 0.226 82 L C 1.222 178.027 176.870 -0.109 0.000 1.113 82 L CA 0.136 54.880 54.840 -0.160 0.000 0.876 82 L CB -0.302 41.688 42.059 -0.116 0.000 1.072 82 L HN 0.191 nan 8.230 nan 0.000 0.468 83 R N 2.434 122.873 120.500 -0.102 0.000 2.296 83 R HA 0.209 4.549 4.340 -0.000 0.000 0.323 83 R C -2.084 174.185 176.300 -0.051 0.000 1.067 83 R CA -1.384 54.687 56.100 -0.049 0.000 0.946 83 R CB 0.459 30.742 30.300 -0.028 0.000 0.991 83 R HN -0.010 nan 8.270 nan 0.000 0.448 84 P HA -0.009 nan 4.420 nan 0.000 0.270 84 P C -0.484 176.843 177.300 0.046 0.000 1.223 84 P CA -0.284 62.783 63.100 -0.056 0.000 0.785 84 P CB 0.855 32.547 31.700 -0.013 0.000 0.923 85 S N 1.015 116.752 115.700 0.062 0.000 2.608 85 S HA 0.165 4.634 4.470 -0.000 0.000 0.261 85 S C -1.651 173.052 174.600 0.171 0.000 1.314 85 S CA -0.778 57.482 58.200 0.101 0.000 0.992 85 S CB -0.141 63.113 63.200 0.089 0.000 0.935 85 S HN 0.232 nan 8.310 nan 0.000 0.564 86 P HA -0.041 nan 4.420 nan 0.000 0.215 86 P C 1.599 179.031 177.300 0.220 0.000 1.153 86 P CA 1.425 64.630 63.100 0.175 0.000 0.853 86 P CB -0.172 31.622 31.700 0.157 0.000 0.788 87 S N -1.276 114.564 115.700 0.234 0.000 2.370 87 S HA -0.193 4.277 4.470 -0.000 0.000 0.226 87 S C 1.676 176.419 174.600 0.238 0.000 1.033 87 S CA 1.199 59.540 58.200 0.235 0.000 1.011 87 S CB -1.207 62.125 63.200 0.219 0.000 0.852 87 S HN 0.146 nan 8.310 nan 0.000 0.457 88 F N 1.577 121.593 119.950 0.111 0.000 2.146 88 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 88 F C 1.787 177.687 175.800 0.166 0.000 1.096 88 F CA 0.953 59.026 58.000 0.122 0.000 1.275 88 F CB -0.251 38.785 39.000 0.060 0.000 1.008 88 F HN 0.058 nan 8.300 nan 0.000 0.480 89 I N -0.001 120.705 120.570 0.228 0.000 2.179 89 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 89 I C 2.366 178.437 176.117 -0.076 0.000 1.088 89 I CA 1.873 63.221 61.300 0.079 0.000 1.357 89 I CB -0.882 37.181 38.000 0.105 0.000 1.051 89 I HN 0.184 nan 8.210 nan 0.000 0.409 90 H N -0.141 118.858 119.070 -0.119 0.000 2.387 90 H HA -0.278 4.278 4.556 -0.000 0.000 0.299 90 H C 2.011 177.212 175.328 -0.211 0.000 1.099 90 H CA 1.882 57.788 56.048 -0.236 0.000 1.315 90 H CB -0.250 29.297 29.762 -0.358 0.000 1.380 90 H HN 0.338 nan 8.280 nan 0.000 0.513 91 F N -0.149 119.656 119.950 -0.241 0.000 2.113 91 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 91 F C 1.863 177.568 175.800 -0.157 0.000 1.103 91 F CA 0.909 58.801 58.000 -0.180 0.000 1.248 91 F CB -0.555 38.284 39.000 -0.270 0.000 0.999 91 F HN 0.173 nan 8.300 nan 0.000 0.475 92 L N 0.476 121.505 121.223 -0.323 0.000 2.042 92 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 92 L C 2.245 179.068 176.870 -0.079 0.000 1.076 92 L CA 1.671 56.364 54.840 -0.246 0.000 0.749 92 L CB -1.143 40.837 42.059 -0.131 0.000 0.893 92 L HN 0.220 nan 8.230 nan 0.000 0.432 93 L N -1.203 119.816 121.223 -0.339 0.000 2.478 93 L HA -0.065 4.275 4.340 -0.000 0.000 0.223 93 L C 1.285 177.619 176.870 -0.893 0.000 1.140 93 L CA 1.109 55.544 54.840 -0.676 0.000 0.842 93 L CB -0.639 40.742 42.059 -1.130 0.000 0.953 93 L HN 0.422 nan 8.230 nan 0.000 0.452 94 T N -4.867 109.161 114.554 -0.877 0.000 3.252 94 T HA 0.265 4.615 4.350 -0.000 0.000 0.286 94 T C 0.223 174.122 174.700 -1.335 0.000 1.013 94 T CA -0.419 60.871 62.100 -1.350 0.000 0.914 94 T CB -0.084 68.127 68.868 -1.094 0.000 1.131 94 T HN 0.083 nan 8.240 nan 0.000 0.529 95 H N -0.176 118.673 119.070 -0.368 0.000 3.012 95 H HA 0.507 5.063 4.556 -0.000 0.000 0.367 95 H C 0.687 176.187 175.328 0.286 0.000 1.211 95 H CA -0.314 55.735 56.048 0.003 0.000 1.139 95 H CB 1.734 31.154 29.762 -0.569 0.000 1.838 95 H HN 0.329 nan 8.280 nan 0.000 0.550 96 G N 2.313 111.291 108.800 0.297 0.000 2.291 96 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.271 96 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.271 96 G C 1.345 176.099 174.900 -0.245 0.000 1.099 96 G CA 0.320 45.379 45.100 -0.069 0.000 0.919 96 G HN 0.481 nan 8.290 nan 0.000 0.496 97 R N 0.103 120.450 120.500 -0.255 0.000 2.113 97 R HA -0.170 4.170 4.340 -0.000 0.000 0.244 97 R C 2.708 178.869 176.300 -0.231 0.000 1.142 97 R CA 2.683 58.451 56.100 -0.553 0.000 0.953 97 R CB -0.738 29.153 30.300 -0.681 0.000 0.860 97 R HN 0.948 nan 8.270 nan 0.000 0.438 98 W N 0.329 121.566 121.300 -0.105 0.000 2.318 98 W HA -0.237 4.423 4.660 -0.000 0.000 0.313 98 W C 1.613 178.117 176.519 -0.026 0.000 1.221 98 W CA 0.505 57.816 57.345 -0.057 0.000 1.266 98 W CB -1.406 28.018 29.460 -0.060 0.000 1.150 98 W HN 0.058 nan 8.180 nan 0.000 0.496 99 L N 0.165 120.648 121.223 -1.233 0.000 2.093 99 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 99 L C 2.320 178.865 176.870 -0.541 0.000 1.085 99 L CA 1.691 55.842 54.840 -1.148 0.000 0.755 99 L CB -1.185 39.793 42.059 -1.801 0.000 0.904 99 L HN 0.005 nan 8.230 nan 0.000 0.435 100 W N -0.103 120.993 121.300 -0.339 0.000 2.388 100 W HA -0.160 4.500 4.660 -0.000 0.000 0.294 100 W C 2.313 178.772 176.519 -0.099 0.000 1.212 100 W CA 0.784 58.029 57.345 -0.167 0.000 1.271 100 W CB -0.162 29.229 29.460 -0.116 0.000 1.126 100 W HN 0.156 nan 8.180 nan 0.000 0.535 101 D N -0.210 120.261 120.400 0.118 0.000 2.117 101 D HA -0.219 4.420 4.640 -0.000 0.000 0.197 101 D C 1.769 178.116 176.300 0.079 0.000 0.987 101 D CA 1.401 55.451 54.000 0.084 0.000 0.829 101 D CB -0.921 39.918 40.800 0.066 0.000 0.961 101 D HN 0.138 nan 8.370 nan 0.000 0.460 102 F N 1.644 121.578 119.950 -0.027 0.000 2.095 102 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 102 F C 2.188 177.956 175.800 -0.053 0.000 1.104 102 F CA 1.182 59.164 58.000 -0.030 0.000 1.232 102 F CB -0.268 38.710 39.000 -0.038 0.000 0.987 102 F HN -0.224 nan 8.300 nan 0.000 0.475 103 V N 1.156 121.040 119.914 -0.051 0.000 2.343 103 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 103 V C 2.115 178.134 176.094 -0.126 0.000 1.051 103 V CA 2.123 64.341 62.300 -0.138 0.000 1.036 103 V CB -0.891 30.909 31.823 -0.038 0.000 0.654 103 V HN 0.390 nan 8.190 nan 0.000 0.451 104 N N 0.725 119.425 118.700 0.000 0.000 2.348 104 N HA -0.112 4.628 4.740 -0.000 0.000 0.185 104 N C 1.591 177.058 175.510 -0.072 0.000 1.019 104 N CA 1.507 54.557 53.050 0.001 0.000 0.880 104 N CB -0.310 38.204 38.487 0.045 0.000 0.965 104 N HN 0.531 nan 8.380 nan 0.000 0.437 105 A N 0.066 122.800 122.820 -0.144 0.000 2.251 105 A HA 0.070 4.390 4.320 -0.000 0.000 0.209 105 A C 1.209 178.679 177.584 -0.191 0.000 1.187 105 A CA 0.496 52.441 52.037 -0.154 0.000 0.823 105 A CB -0.206 18.694 19.000 -0.167 0.000 0.846 105 A HN 0.384 nan 8.150 nan 0.000 0.486 106 T N -4.645 109.759 114.554 -0.250 0.000 2.905 106 T HA 0.472 4.822 4.350 -0.000 0.000 0.283 106 T C 0.786 175.396 174.700 -0.150 0.000 1.031 106 T CA -0.061 61.909 62.100 -0.217 0.000 1.002 106 T CB 0.483 69.114 68.868 -0.395 0.000 1.200 106 T HN 0.590 nan 8.240 nan 0.000 0.560 107 F N -0.406 119.506 119.950 -0.063 0.000 2.546 107 F HA 0.258 4.785 4.527 -0.000 0.000 0.298 107 F C 1.706 177.498 175.800 -0.012 0.000 1.120 107 F CA 0.221 58.202 58.000 -0.031 0.000 1.456 107 F CB -1.051 37.937 39.000 -0.021 0.000 1.088 107 F HN 0.382 nan 8.300 nan 0.000 0.572 108 I N 0.854 120.846 120.570 -0.962 0.000 2.361 108 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 108 I C 2.857 178.851 176.117 -0.204 0.000 1.133 108 I CA 1.327 62.243 61.300 -0.640 0.000 1.413 108 I CB -0.554 37.113 38.000 -0.554 0.000 1.073 108 I HN 0.225 nan 8.210 nan 0.000 0.424 109 R N 1.168 121.586 120.500 -0.136 0.000 2.083 109 R HA -0.227 4.113 4.340 -0.000 0.000 0.237 109 R C 1.755 178.054 176.300 -0.003 0.000 1.137 109 R CA 2.211 58.297 56.100 -0.023 0.000 0.951 109 R CB -0.211 30.078 30.300 -0.018 0.000 0.851 109 R HN 0.272 nan 8.270 nan 0.000 0.434 110 D N -0.516 119.886 120.400 0.002 0.000 2.144 110 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 110 D C 1.736 178.062 176.300 0.043 0.000 0.978 110 D CA 1.623 55.641 54.000 0.030 0.000 0.833 110 D CB -0.272 40.567 40.800 0.065 0.000 0.961 110 D HN 0.290 nan 8.370 nan 0.000 0.470 111 T N 0.852 115.439 114.554 0.055 0.000 2.737 111 T HA -0.035 4.314 4.350 -0.000 0.000 0.265 111 T C 2.215 176.944 174.700 0.048 0.000 1.038 111 T CA 0.562 62.705 62.100 0.071 0.000 1.144 111 T CB -0.240 68.680 68.868 0.087 0.000 0.866 111 T HN 0.114 nan 8.240 nan 0.000 0.434 112 L N 0.076 121.323 121.223 0.040 0.000 2.056 112 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 112 L C 2.634 179.535 176.870 0.053 0.000 1.078 112 L CA 0.983 55.859 54.840 0.059 0.000 0.749 112 L CB -0.517 41.597 42.059 0.093 0.000 0.901 112 L HN 0.256 nan 8.230 nan 0.000 0.433 113 M N 0.237 119.862 119.600 0.041 0.000 2.117 113 M HA -0.207 4.273 4.480 -0.000 0.000 0.262 113 M C 2.371 178.684 176.300 0.021 0.000 1.065 113 M CA 1.739 57.061 55.300 0.036 0.000 1.114 113 M CB -0.444 32.171 32.600 0.024 0.000 1.361 113 M HN 0.019 nan 8.290 nan 0.000 0.408 114 R N -0.516 119.989 120.500 0.009 0.000 2.096 114 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 114 R C 2.036 178.341 176.300 0.009 0.000 1.127 114 R CA 1.585 57.680 56.100 -0.009 0.000 0.968 114 R CB -0.536 29.761 30.300 -0.005 0.000 0.861 114 R HN 0.440 nan 8.270 nan 0.000 0.440 115 L N 0.392 121.634 121.223 0.031 0.000 1.994 115 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 115 L C 2.124 179.023 176.870 0.049 0.000 1.071 115 L CA 1.557 56.422 54.840 0.042 0.000 0.745 115 L CB -0.474 41.617 42.059 0.052 0.000 0.892 115 L HN 0.026 nan 8.230 nan 0.000 0.431 116 V N -0.604 119.344 119.914 0.058 0.000 2.287 116 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 116 V C 2.548 178.680 176.094 0.065 0.000 1.053 116 V CA 1.690 64.035 62.300 0.075 0.000 1.027 116 V CB -0.652 31.229 31.823 0.097 0.000 0.646 116 V HN 0.364 nan 8.190 nan 0.000 0.447 117 L N 0.632 121.879 121.223 0.039 0.000 2.017 117 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 117 L C 2.845 179.731 176.870 0.026 0.000 1.073 117 L CA 2.822 57.671 54.840 0.015 0.000 0.745 117 L CB -1.365 40.661 42.059 -0.054 0.000 0.894 117 L HN 0.677 nan 8.230 nan 0.000 0.432 118 T N -4.617 109.949 114.554 0.020 0.000 2.770 118 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 118 T C 1.909 176.652 174.700 0.071 0.000 1.039 118 T CA 1.276 63.409 62.100 0.054 0.000 1.142 118 T CB -0.889 68.002 68.868 0.038 0.000 0.868 118 T HN 0.055 nan 8.240 nan 0.000 0.435 119 V N 1.599 121.549 119.914 0.059 0.000 2.307 119 V HA -0.071 4.049 4.120 -0.000 0.000 0.245 119 V C 3.091 179.224 176.094 0.065 0.000 1.045 119 V CA 1.665 64.001 62.300 0.059 0.000 1.024 119 V CB -0.770 31.088 31.823 0.059 0.000 0.651 119 V HN 0.277 nan 8.190 nan 0.000 0.449 120 R N 0.528 121.072 120.500 0.073 0.000 2.083 120 R HA -0.103 4.237 4.340 -0.000 0.000 0.237 120 R C 2.643 178.982 176.300 0.065 0.000 1.137 120 R CA 1.886 58.029 56.100 0.072 0.000 0.951 120 R CB -1.161 29.185 30.300 0.078 0.000 0.851 120 R HN 0.470 nan 8.270 nan 0.000 0.434 121 S N 0.794 116.549 115.700 0.092 0.000 2.382 121 S HA -0.058 4.412 4.470 -0.000 0.000 0.228 121 S C 1.411 176.046 174.600 0.057 0.000 1.027 121 S CA 1.039 59.307 58.200 0.114 0.000 0.991 121 S CB -0.287 63.083 63.200 0.282 0.000 0.823 121 S HN 0.366 nan 8.310 nan 0.000 0.469 122 N N 1.475 120.208 118.700 0.054 0.000 2.513 122 N HA -0.024 4.716 4.740 -0.000 0.000 0.187 122 N C 1.032 176.527 175.510 -0.025 0.000 1.056 122 N CA 0.513 53.571 53.050 0.013 0.000 0.907 122 N CB -0.232 38.268 38.487 0.022 0.000 0.954 122 N HN 0.283 nan 8.380 nan 0.000 0.445 123 L N 0.439 121.649 121.223 -0.022 0.000 2.552 123 L HA 0.116 4.455 4.340 -0.000 0.000 0.227 123 L C 0.275 177.069 176.870 -0.126 0.000 1.146 123 L CA 0.540 55.332 54.840 -0.079 0.000 0.858 123 L CB -0.305 41.751 42.059 -0.004 0.000 0.969 123 L HN -0.016 nan 8.230 nan 0.000 0.451 124 I N 1.058 121.578 120.570 -0.083 0.000 2.362 124 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 124 I C -2.090 173.974 176.117 -0.088 0.000 0.994 124 I CA -2.578 58.676 61.300 -0.077 0.000 1.158 124 I CB 1.077 39.052 38.000 -0.042 0.000 1.315 124 I HN -0.162 nan 8.210 nan 0.000 0.451 125 P HA 0.163 nan 4.420 nan 0.000 0.271 125 P C -0.414 176.817 177.300 -0.115 0.000 1.220 125 P CA 0.081 63.110 63.100 -0.117 0.000 0.768 125 P CB 0.703 32.311 31.700 -0.154 0.000 0.848 126 S N 3.044 118.668 115.700 -0.127 0.000 2.720 126 S HA 0.451 4.921 4.470 -0.000 0.000 0.278 126 S C -2.640 171.891 174.600 -0.115 0.000 1.172 126 S CA -1.293 56.827 58.200 -0.134 0.000 1.019 126 S CB 0.458 63.535 63.200 -0.205 0.000 1.049 126 S HN 0.238 nan 8.310 nan 0.000 0.483 127 P HA 0.276 nan 4.420 nan 0.000 0.269 127 P C -2.685 174.580 177.300 -0.059 0.000 1.217 127 P CA -0.949 62.137 63.100 -0.023 0.000 0.783 127 P CB -0.534 31.193 31.700 0.045 0.000 0.898 128 P HA -0.027 nan 4.420 nan 0.000 0.270 128 P C 0.573 177.785 177.300 -0.147 0.000 1.223 128 P CA 0.087 63.121 63.100 -0.110 0.000 0.785 128 P CB 0.574 32.200 31.700 -0.122 0.000 0.923 129 T N -0.583 113.810 114.554 -0.268 0.000 3.608 129 T HA 0.154 4.504 4.350 -0.000 0.000 0.213 129 T C 0.686 175.201 174.700 -0.309 0.000 0.897 129 T CA 0.241 62.066 62.100 -0.459 0.000 1.533 129 T CB -0.866 67.347 68.868 -1.092 0.000 1.504 129 T HN 0.374 nan 8.240 nan 0.000 0.446 130 Y N 2.953 123.213 120.300 -0.067 0.000 2.432 130 Y HA 0.650 5.200 4.550 -0.000 0.000 0.322 130 Y C 0.591 176.402 175.900 -0.148 0.000 1.246 130 Y CA -1.315 56.713 58.100 -0.120 0.000 1.268 130 Y CB 0.839 39.244 38.460 -0.091 0.000 1.276 130 Y HN 0.647 nan 8.280 nan 0.000 0.499 131 N N -0.484 118.179 118.700 -0.062 0.000 3.229 131 N HA 0.183 4.923 4.740 -0.000 0.000 0.315 131 N C -0.265 175.151 175.510 -0.157 0.000 1.520 131 N CA -0.754 52.195 53.050 -0.169 0.000 0.769 131 N CB 0.288 38.497 38.487 -0.463 0.000 1.766 131 N HN 0.580 nan 8.380 nan 0.000 0.618 132 I N -0.935 119.567 120.570 -0.113 0.000 2.850 132 I HA 0.132 4.302 4.170 -0.000 0.000 0.266 132 I C 1.373 177.451 176.117 -0.065 0.000 1.257 132 I CA 1.286 62.549 61.300 -0.063 0.000 1.465 132 I CB -0.938 37.021 38.000 -0.069 0.000 1.091 132 I HN 0.708 nan 8.210 nan 0.000 0.467 133 A N -1.756 120.942 122.820 -0.203 0.000 2.108 133 A HA 0.207 4.527 4.320 -0.000 0.000 0.206 133 A C 0.200 177.694 177.584 -0.150 0.000 1.212 133 A CA 0.125 52.050 52.037 -0.185 0.000 0.843 133 A CB -0.157 18.677 19.000 -0.276 0.000 0.902 133 A HN 0.434 nan 8.150 nan 0.000 0.477 134 H N 0.743 119.585 119.070 -0.380 0.000 2.762 134 H HA 0.326 4.882 4.556 -0.000 0.000 0.310 134 H C -1.309 173.629 175.328 -0.651 0.000 1.004 134 H CA -1.311 54.288 56.048 -0.748 0.000 1.267 134 H CB 0.880 30.070 29.762 -0.953 0.000 1.437 134 H HN 0.133 nan 8.280 nan 0.000 0.498 135 D N 3.897 124.036 120.400 -0.435 0.000 2.870 135 D HA 0.070 4.710 4.640 -0.000 0.000 0.241 135 D C -0.241 175.740 176.300 -0.532 0.000 1.234 135 D CA 0.345 54.087 54.000 -0.430 0.000 0.844 135 D CB -0.222 40.453 40.800 -0.208 0.000 1.051 135 D HN 0.522 nan 8.370 nan 0.000 0.469 136 Y N -3.119 117.018 120.300 -0.272 0.000 2.702 136 Y HA 0.373 4.923 4.550 -0.000 0.000 0.336 136 Y C -0.827 175.258 175.900 0.308 0.000 1.203 136 Y CA -1.380 56.695 58.100 -0.042 0.000 1.072 136 Y CB 0.304 38.720 38.460 -0.074 0.000 1.327 136 Y HN -0.281 nan 8.280 nan 0.000 0.456 137 I N 3.270 124.142 120.570 0.503 0.000 2.588 137 I HA 0.438 4.608 4.170 -0.000 0.000 0.283 137 I C 0.160 176.451 176.117 0.291 0.000 1.119 137 I CA 0.466 61.945 61.300 0.298 0.000 1.419 137 I CB 0.953 39.070 38.000 0.195 0.000 1.394 137 I HN 0.776 nan 8.210 nan 0.000 0.562 138 S N 5.653 121.474 115.700 0.203 0.000 2.570 138 S HA 0.193 4.663 4.470 -0.000 0.000 0.270 138 S C 0.130 174.865 174.600 0.224 0.000 1.149 138 S CA -0.942 57.396 58.200 0.230 0.000 0.837 138 S CB 1.260 64.573 63.200 0.188 0.000 1.124 138 S HN 0.832 nan 8.310 nan 0.000 0.465 139 W N 1.416 122.802 121.300 0.143 0.000 2.374 139 W HA -0.074 4.586 4.660 -0.000 0.000 0.288 139 W C 1.494 178.137 176.519 0.207 0.000 1.218 139 W CA 2.228 59.681 57.345 0.179 0.000 1.245 139 W CB -0.113 29.425 29.460 0.130 0.000 1.126 139 W HN 1.047 nan 8.180 nan 0.000 0.545 140 E N 0.352 120.706 120.200 0.256 0.000 2.072 140 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 140 E C 2.275 178.863 176.600 -0.019 0.000 0.985 140 E CA 2.126 58.631 56.400 0.175 0.000 0.801 140 E CB -0.731 29.147 29.700 0.297 0.000 0.750 140 E HN -0.006 nan 8.360 nan 0.000 0.452 141 S N -1.261 114.425 115.700 -0.022 0.000 2.402 141 S HA -0.123 4.347 4.470 -0.000 0.000 0.229 141 S C 1.713 176.205 174.600 -0.180 0.000 1.021 141 S CA 1.087 59.180 58.200 -0.178 0.000 0.974 141 S CB -0.565 62.568 63.200 -0.110 0.000 0.800 141 S HN 0.481 nan 8.310 nan 0.000 0.484 142 F N 2.362 122.110 119.950 -0.335 0.000 2.206 142 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 142 F C 2.326 177.851 175.800 -0.458 0.000 1.090 142 F CA 1.714 59.447 58.000 -0.444 0.000 1.323 142 F CB -0.459 38.153 39.000 -0.647 0.000 1.028 142 F HN 0.358 nan 8.300 nan 0.000 0.492 143 S N -1.121 114.150 115.700 -0.716 0.000 2.483 143 S HA 0.050 4.520 4.470 -0.000 0.000 0.221 143 S C 0.965 175.391 174.600 -0.290 0.000 1.030 143 S CA -0.080 57.755 58.200 -0.608 0.000 0.925 143 S CB -0.665 62.366 63.200 -0.282 0.000 0.795 143 S HN 0.316 nan 8.310 nan 0.000 0.511 144 N N 3.390 122.004 118.700 -0.142 0.000 2.671 144 N HA 0.090 4.830 4.740 -0.000 0.000 0.274 144 N C 0.932 176.479 175.510 0.061 0.000 1.188 144 N CA 0.131 53.204 53.050 0.039 0.000 1.065 144 N CB 1.039 39.669 38.487 0.238 0.000 1.415 144 N HN 0.411 nan 8.380 nan 0.000 0.511 145 V N 0.529 120.433 119.914 -0.016 0.000 3.546 145 V HA 0.024 4.144 4.120 -0.000 0.000 0.272 145 V C 1.327 177.521 176.094 0.168 0.000 1.228 145 V CA 0.710 63.039 62.300 0.049 0.000 1.184 145 V CB -0.532 31.311 31.823 0.033 0.000 0.886 145 V HN 0.312 nan 8.190 nan 0.000 0.508 146 S N -0.969 114.789 115.700 0.096 0.000 2.593 146 S HA 0.314 4.784 4.470 -0.000 0.000 0.217 146 S C 0.202 174.796 174.600 -0.010 0.000 0.966 146 S CA -0.057 58.158 58.200 0.024 0.000 0.914 146 S CB -0.265 62.930 63.200 -0.009 0.000 0.776 146 S HN 0.730 nan 8.310 nan 0.000 0.523 147 Y N 0.285 120.568 120.300 -0.028 0.000 2.352 147 Y HA 0.435 4.985 4.550 -0.000 0.000 0.326 147 Y C 0.021 175.853 175.900 -0.112 0.000 1.166 147 Y CA -1.050 56.919 58.100 -0.218 0.000 1.182 147 Y CB 0.511 38.834 38.460 -0.229 0.000 1.216 147 Y HN 0.036 nan 8.280 nan 0.000 0.474 148 Y N 0.576 120.918 120.300 0.070 0.000 2.300 148 Y HA 0.246 4.796 4.550 -0.000 0.000 0.328 148 Y C 0.881 176.806 175.900 0.041 0.000 1.270 148 Y CA -0.347 57.814 58.100 0.101 0.000 1.352 148 Y CB 1.151 39.629 38.460 0.029 0.000 1.286 148 Y HN 0.542 nan 8.280 nan 0.000 0.536 149 T N 1.720 116.406 114.554 0.221 0.000 2.880 149 T HA 0.750 5.100 4.350 -0.000 0.000 0.279 149 T C -0.984 173.769 174.700 0.089 0.000 0.990 149 T CA -0.765 61.381 62.100 0.077 0.000 0.938 149 T CB 0.565 69.442 68.868 0.016 0.000 1.206 149 T HN 0.744 nan 8.240 nan 0.000 0.573 150 R N 0.882 121.425 120.500 0.072 0.000 2.668 150 R HA 0.482 4.822 4.340 -0.000 0.000 0.272 150 R C 0.190 176.569 176.300 0.132 0.000 1.019 150 R CA -0.862 55.306 56.100 0.113 0.000 0.894 150 R CB 0.570 30.940 30.300 0.117 0.000 1.228 150 R HN 0.358 nan 8.270 nan 0.000 0.460 151 I N 1.222 121.918 120.570 0.210 0.000 2.400 151 I HA 0.101 4.271 4.170 -0.000 0.000 0.248 151 I C 0.812 176.984 176.117 0.091 0.000 1.109 151 I CA 0.675 62.065 61.300 0.151 0.000 1.425 151 I CB -0.728 37.434 38.000 0.270 0.000 1.094 151 I HN 0.523 nan 8.210 nan 0.000 0.425 152 L N 2.810 124.097 121.223 0.107 0.000 2.334 152 L HA 0.377 4.717 4.340 -0.000 0.000 0.276 152 L C -2.210 174.725 176.870 0.108 0.000 1.014 152 L CA -1.778 53.052 54.840 -0.016 0.000 0.815 152 L CB 1.841 43.647 42.059 -0.421 0.000 1.268 152 L HN -0.107 nan 8.230 nan 0.000 0.428 153 P HA 0.038 nan 4.420 nan 0.000 0.270 153 P C -0.359 176.937 177.300 -0.007 0.000 1.223 153 P CA -0.337 62.727 63.100 -0.059 0.000 0.785 153 P CB 0.834 32.373 31.700 -0.268 0.000 0.923 154 S N 0.774 116.471 115.700 -0.004 0.000 2.598 154 S HA 0.089 4.559 4.470 -0.000 0.000 0.256 154 S C 0.417 175.054 174.600 0.062 0.000 1.350 154 S CA -0.701 57.520 58.200 0.036 0.000 0.984 154 S CB -0.290 62.925 63.200 0.025 0.000 0.930 154 S HN 0.282 nan 8.310 nan 0.000 0.577 155 V N 3.357 123.326 119.914 0.091 0.000 2.470 155 V HA 0.250 4.370 4.120 -0.000 0.000 0.276 155 V C -2.040 174.087 176.094 0.055 0.000 1.040 155 V CA -1.483 60.890 62.300 0.122 0.000 1.008 155 V CB 0.084 31.986 31.823 0.132 0.000 0.990 155 V HN 0.755 nan 8.190 nan 0.000 0.477 156 P HA 0.075 nan 4.420 nan 0.000 0.264 156 P C 0.695 177.993 177.300 -0.003 0.000 1.183 156 P CA 0.197 63.294 63.100 -0.006 0.000 0.763 156 P CB 0.388 32.062 31.700 -0.043 0.000 0.807 157 R N 2.187 122.691 120.500 0.008 0.000 2.249 157 R HA -0.131 4.209 4.340 -0.000 0.000 0.230 157 R C 0.671 176.971 176.300 -0.000 0.000 1.121 157 R CA 1.425 57.532 56.100 0.012 0.000 0.997 157 R CB -0.357 29.956 30.300 0.021 0.000 0.867 157 R HN 0.623 nan 8.270 nan 0.000 0.465 158 D N -0.935 119.457 120.400 -0.014 0.000 2.738 158 D HA 0.055 4.695 4.640 -0.000 0.000 0.246 158 D C -0.460 175.813 176.300 -0.046 0.000 1.270 158 D CA -0.435 53.553 54.000 -0.021 0.000 0.833 158 D CB -0.470 40.321 40.800 -0.015 0.000 1.040 158 D HN -0.040 nan 8.370 nan 0.000 0.487 159 c N 0.569 119.135 118.600 -0.058 0.000 2.364 159 c HA 0.356 4.926 4.570 -0.000 0.000 0.356 159 c C -0.683 173.359 174.090 -0.079 0.000 1.201 159 c CA -1.147 55.120 56.329 -0.103 0.000 2.227 159 c CB 1.643 44.074 42.510 -0.132 0.000 2.387 159 c HN 0.210 nan 8.230 nan 0.000 0.546 160 P HA -0.095 nan 4.420 nan 0.000 0.216 160 P C 0.576 177.855 177.300 -0.035 0.000 1.154 160 P CA 1.632 64.692 63.100 -0.066 0.000 0.865 160 P CB 0.004 31.650 31.700 -0.090 0.000 0.789 161 T N -7.635 106.897 114.554 -0.036 0.000 2.907 161 T HA 0.437 4.787 4.350 -0.000 0.000 0.290 161 T C -2.378 172.336 174.700 0.023 0.000 1.066 161 T CA -2.288 59.815 62.100 0.005 0.000 1.012 161 T CB 1.627 70.510 68.868 0.024 0.000 1.184 161 T HN -0.305 nan 8.240 nan 0.000 0.522 162 P HA 0.012 nan 4.420 nan 0.000 0.218 162 P C 1.264 178.623 177.300 0.097 0.000 1.148 162 P CA 1.031 64.172 63.100 0.070 0.000 0.822 162 P CB 0.030 31.779 31.700 0.081 0.000 0.784 163 M N -2.679 116.990 119.600 0.116 0.000 2.428 163 M HA 0.304 4.784 4.480 -0.000 0.000 0.239 163 M C 1.360 177.763 176.300 0.171 0.000 1.121 163 M CA 0.666 56.062 55.300 0.159 0.000 1.019 163 M CB -0.429 32.280 32.600 0.181 0.000 1.485 163 M HN 0.100 nan 8.290 nan 0.000 0.484 164 G N -0.094 108.745 108.800 0.066 0.000 2.472 164 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 164 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 164 G C 0.885 175.679 174.900 -0.178 0.000 2.125 164 G CA 0.310 45.370 45.100 -0.066 0.000 1.637 164 G HN 0.217 nan 8.290 nan 0.000 0.548 165 T N 1.291 115.760 114.554 -0.142 0.000 3.028 165 T HA 0.308 4.658 4.350 -0.000 0.000 0.262 165 T C 0.361 175.041 174.700 -0.033 0.000 0.916 165 T CA 0.644 62.639 62.100 -0.176 0.000 0.873 165 T CB 0.341 68.995 68.868 -0.356 0.000 1.232 165 T HN 0.330 nan 8.240 nan 0.000 0.529 166 K N 1.199 121.619 120.400 0.033 0.000 2.211 166 K HA 0.726 5.046 4.320 -0.000 0.000 0.237 166 K C 0.703 177.363 176.600 0.101 0.000 1.002 166 K CA -0.135 56.197 56.287 0.076 0.000 0.885 166 K CB 1.012 33.571 32.500 0.098 0.000 1.136 166 K HN 0.334 nan 8.250 nan 0.000 0.448 167 G N 0.917 109.790 108.800 0.121 0.000 2.725 167 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 167 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 167 G C -1.027 173.937 174.900 0.106 0.000 1.357 167 G CA -0.600 44.591 45.100 0.150 0.000 0.866 167 G HN 0.461 nan 8.290 nan 0.000 0.548 168 K N 0.099 120.560 120.400 0.102 0.000 2.090 168 K HA 0.430 4.750 4.320 -0.000 0.000 0.249 168 K C 1.095 177.725 176.600 0.051 0.000 0.995 168 K CA -0.859 55.465 56.287 0.062 0.000 0.914 168 K CB 0.962 33.487 32.500 0.042 0.000 1.057 168 K HN 0.305 nan 8.250 nan 0.000 0.462 169 K N 1.000 121.420 120.400 0.033 0.000 2.360 169 K HA -0.159 4.161 4.320 -0.000 0.000 0.201 169 K C 0.327 176.943 176.600 0.026 0.000 1.046 169 K CA 1.139 57.441 56.287 0.026 0.000 0.945 169 K CB -0.017 32.493 32.500 0.017 0.000 0.750 169 K HN 0.556 nan 8.250 nan 0.000 0.464 170 Q N 0.589 120.402 119.800 0.023 0.000 2.285 170 Q HA 0.237 4.577 4.340 -0.000 0.000 0.269 170 Q C -1.277 174.727 176.000 0.008 0.000 1.030 170 Q CA -0.701 55.111 55.803 0.016 0.000 0.788 170 Q CB 1.232 29.971 28.738 0.002 0.000 1.266 170 Q HN -0.184 nan 8.270 nan 0.000 0.438 171 L N 4.476 125.708 121.223 0.016 0.000 2.464 171 L HA 0.447 4.787 4.340 -0.000 0.000 0.264 171 L C -1.979 174.846 176.870 -0.075 0.000 1.199 171 L CA -1.697 53.134 54.840 -0.014 0.000 0.818 171 L CB -0.256 41.832 42.059 0.048 0.000 1.102 171 L HN 0.684 nan 8.230 nan 0.000 0.473 172 P HA 0.005 nan 4.420 nan 0.000 0.266 172 P C -0.910 176.376 177.300 -0.023 0.000 1.195 172 P CA -0.321 62.691 63.100 -0.145 0.000 0.768 172 P CB 0.253 31.766 31.700 -0.312 0.000 0.838 173 D N 2.151 122.571 120.400 0.033 0.000 2.520 173 D HA 0.046 4.686 4.640 -0.000 0.000 0.243 173 D C 1.286 177.658 176.300 0.120 0.000 1.160 173 D CA 0.372 54.415 54.000 0.072 0.000 0.877 173 D CB 0.492 41.337 40.800 0.075 0.000 1.150 173 D HN 0.333 nan 8.370 nan 0.000 0.494 174 A N 4.185 127.058 122.820 0.089 0.000 1.892 174 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 174 A C 1.994 179.643 177.584 0.108 0.000 1.188 174 A CA 1.973 54.068 52.037 0.096 0.000 0.631 174 A CB -0.652 18.394 19.000 0.078 0.000 0.822 174 A HN 0.828 nan 8.150 nan 0.000 0.447 175 E N -1.709 118.557 120.200 0.110 0.000 2.106 175 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 175 E C 1.751 178.422 176.600 0.118 0.000 0.984 175 E CA 1.162 57.624 56.400 0.103 0.000 0.806 175 E CB -0.246 29.510 29.700 0.094 0.000 0.750 175 E HN 0.602 nan 8.360 nan 0.000 0.458 176 F N 0.814 120.774 119.950 0.016 0.000 2.146 176 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 176 F C 1.917 177.739 175.800 0.036 0.000 1.096 176 F CA 0.918 58.920 58.000 0.003 0.000 1.275 176 F CB -0.350 38.647 39.000 -0.005 0.000 1.008 176 F HN 0.107 nan 8.300 nan 0.000 0.480 177 L N 0.053 121.328 121.223 0.086 0.000 2.012 177 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 177 L C 2.523 179.454 176.870 0.102 0.000 1.073 177 L CA 2.196 57.116 54.840 0.134 0.000 0.748 177 L CB -1.246 40.906 42.059 0.156 0.000 0.891 177 L HN 0.146 nan 8.230 nan 0.000 0.431 178 S N -0.896 114.834 115.700 0.050 0.000 2.355 178 S HA -0.147 4.323 4.470 -0.000 0.000 0.222 178 S C 2.020 176.587 174.600 -0.055 0.000 1.031 178 S CA 1.126 59.347 58.200 0.036 0.000 0.993 178 S CB -0.280 62.954 63.200 0.056 0.000 0.859 178 S HN 0.401 nan 8.310 nan 0.000 0.453 179 R N 0.727 121.153 120.500 -0.122 0.000 2.096 179 R HA 0.083 4.423 4.340 -0.000 0.000 0.235 179 R C 2.561 178.655 176.300 -0.343 0.000 1.127 179 R CA 0.875 56.867 56.100 -0.180 0.000 0.968 179 R CB -0.109 30.101 30.300 -0.150 0.000 0.861 179 R HN 0.199 nan 8.270 nan 0.000 0.440 180 R N -0.582 119.549 120.500 -0.615 0.000 2.090 180 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 180 R C 1.192 176.820 176.300 -1.121 0.000 1.110 180 R CA 1.290 56.763 56.100 -1.046 0.000 0.973 180 R CB 0.114 29.399 30.300 -1.690 0.000 0.869 180 R HN 0.250 nan 8.270 nan 0.000 0.440 181 F N -1.726 118.104 119.950 -0.200 0.000 2.798 181 F HA 0.251 4.778 4.527 -0.000 0.000 0.328 181 F C 1.596 177.330 175.800 -0.110 0.000 1.098 181 F CA -0.112 57.803 58.000 -0.140 0.000 1.172 181 F CB 0.359 39.280 39.000 -0.131 0.000 1.072 181 F HN -0.192 nan 8.300 nan 0.000 0.555 182 L N -0.685 120.560 121.223 0.036 0.000 2.685 182 L HA 0.289 4.629 4.340 -0.000 0.000 0.235 182 L C 0.669 177.545 176.870 0.011 0.000 1.070 182 L CA 0.061 54.915 54.840 0.023 0.000 0.888 182 L CB 0.763 42.845 42.059 0.039 0.000 1.203 182 L HN -0.003 nan 8.230 nan 0.000 0.499 183 L N 2.579 123.794 121.223 -0.015 0.000 2.525 183 L HA 0.029 4.369 4.340 -0.000 0.000 0.278 183 L C 0.698 177.571 176.870 0.005 0.000 1.218 183 L CA 0.276 55.116 54.840 0.001 0.000 0.878 183 L CB 0.625 42.667 42.059 -0.028 0.000 1.127 183 L HN 0.270 nan 8.230 nan 0.000 0.492 184 R N 4.845 125.370 120.500 0.042 0.000 2.438 184 R HA 0.196 4.536 4.340 -0.000 0.000 0.287 184 R C 0.419 176.749 176.300 0.049 0.000 1.077 184 R CA -0.158 55.971 56.100 0.049 0.000 1.034 184 R CB 0.851 31.207 30.300 0.094 0.000 0.993 184 R HN 0.767 nan 8.270 nan 0.000 0.459 185 R N 2.211 122.728 120.500 0.027 0.000 2.049 185 R HA 0.133 4.473 4.340 -0.000 0.000 0.202 185 R C -0.036 176.293 176.300 0.048 0.000 1.306 185 R CA 0.022 56.135 56.100 0.021 0.000 1.107 185 R CB -0.106 30.187 30.300 -0.010 0.000 0.996 185 R HN 0.220 nan 8.270 nan 0.000 0.469 186 K N 1.244 121.667 120.400 0.040 0.000 2.292 186 K HA 0.181 4.501 4.320 -0.000 0.000 0.257 186 K C -1.285 175.366 176.600 0.085 0.000 0.940 186 K CA -0.855 55.472 56.287 0.067 0.000 0.811 186 K CB 0.859 33.380 32.500 0.035 0.000 1.120 186 K HN -0.062 nan 8.250 nan 0.000 0.428 187 F N 5.625 125.574 119.950 -0.002 0.000 2.578 187 F HA 0.247 4.774 4.527 -0.000 0.000 0.381 187 F C -0.367 175.420 175.800 -0.022 0.000 1.069 187 F CA 0.202 58.196 58.000 -0.011 0.000 1.231 187 F CB 0.192 39.183 39.000 -0.015 0.000 1.086 187 F HN 0.423 nan 8.300 nan 0.000 0.564 188 I N 9.475 129.537 120.570 -0.846 0.000 2.330 188 I HA 0.257 4.427 4.170 -0.000 0.000 0.286 188 I C -2.017 173.454 176.117 -1.076 0.000 1.025 188 I CA -2.186 58.688 61.300 -0.710 0.000 1.197 188 I CB 1.054 38.828 38.000 -0.377 0.000 1.358 188 I HN 0.468 nan 8.210 nan 0.000 0.467 189 P HA 0.005 nan 4.420 nan 0.000 0.272 189 P C -0.789 176.328 177.300 -0.305 0.000 1.223 189 P CA -0.211 62.609 63.100 -0.466 0.000 0.784 189 P CB 0.899 32.570 31.700 -0.048 0.000 0.923 190 D N 3.086 123.352 120.400 -0.224 0.000 2.371 190 D HA 0.048 4.688 4.640 -0.000 0.000 0.256 190 D C -1.080 175.098 176.300 -0.204 0.000 1.193 190 D CA -1.967 51.890 54.000 -0.239 0.000 0.881 190 D CB 0.372 41.011 40.800 -0.269 0.000 1.143 190 D HN 0.172 nan 8.370 nan 0.000 0.473 191 P HA -0.189 nan 4.420 nan 0.000 0.219 191 P C 0.582 177.795 177.300 -0.146 0.000 1.146 191 P CA 1.136 64.153 63.100 -0.138 0.000 0.808 191 P CB 0.190 31.823 31.700 -0.112 0.000 0.779 192 Q N -0.787 118.886 119.800 -0.212 0.000 2.482 192 Q HA 0.175 4.515 4.340 -0.000 0.000 0.209 192 Q C 1.228 177.026 176.000 -0.337 0.000 0.961 192 Q CA 0.547 56.216 55.803 -0.224 0.000 0.945 192 Q CB -0.457 28.108 28.738 -0.288 0.000 1.012 192 Q HN 0.294 nan 8.270 nan 0.000 0.515 193 G N 1.264 109.849 108.800 -0.359 0.000 2.143 193 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 193 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 193 G C 0.177 174.717 174.900 -0.599 0.000 0.991 193 G CA 0.327 45.091 45.100 -0.560 0.000 0.689 193 G HN 0.317 nan 8.290 nan 0.000 0.522 194 T N 1.415 115.711 114.554 -0.431 0.000 2.928 194 T HA 0.412 4.762 4.350 -0.000 0.000 0.305 194 T C 0.864 175.496 174.700 -0.113 0.000 1.035 194 T CA 0.773 62.667 62.100 -0.343 0.000 1.145 194 T CB 0.708 69.282 68.868 -0.490 0.000 0.963 194 T HN 0.830 nan 8.240 nan 0.000 0.545 195 N N 2.327 121.061 118.700 0.056 0.000 2.671 195 N HA 0.353 5.093 4.740 -0.000 0.000 0.303 195 N C 0.852 176.490 175.510 0.213 0.000 1.277 195 N CA -1.077 52.067 53.050 0.157 0.000 0.933 195 N CB 0.328 38.956 38.487 0.235 0.000 1.190 195 N HN 0.362 nan 8.380 nan 0.000 0.600 196 L N -1.248 120.091 121.223 0.193 0.000 2.291 196 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 196 L C 2.029 179.017 176.870 0.195 0.000 1.120 196 L CA 0.790 55.663 54.840 0.055 0.000 0.799 196 L CB -0.396 41.683 42.059 0.033 0.000 0.925 196 L HN 0.570 nan 8.230 nan 0.000 0.446 197 M N 0.030 119.906 119.600 0.460 0.000 2.117 197 M HA -0.252 4.228 4.480 -0.000 0.000 0.262 197 M C 2.035 178.766 176.300 0.717 0.000 1.065 197 M CA 1.913 57.598 55.300 0.641 0.000 1.114 197 M CB -0.514 32.420 32.600 0.556 0.000 1.361 197 M HN 0.176 nan 8.290 nan 0.000 0.408 198 F N 0.328 120.559 119.950 0.468 0.000 2.113 198 F HA 0.005 4.532 4.527 -0.000 0.000 0.297 198 F C 2.069 177.972 175.800 0.172 0.000 1.103 198 F CA 1.617 59.745 58.000 0.213 0.000 1.248 198 F CB -0.786 38.205 39.000 -0.015 0.000 0.999 198 F HN 0.177 nan 8.300 nan 0.000 0.475 199 A N 0.108 123.029 122.820 0.169 0.000 1.908 199 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 199 A C 2.000 179.509 177.584 -0.125 0.000 1.181 199 A CA 1.907 53.929 52.037 -0.024 0.000 0.627 199 A CB -1.450 17.451 19.000 -0.165 0.000 0.818 199 A HN 0.443 nan 8.150 nan 0.000 0.445 200 F N -1.905 118.100 119.950 0.092 0.000 2.293 200 F HA 0.071 4.598 4.527 -0.000 0.000 0.297 200 F C 1.891 177.625 175.800 -0.110 0.000 1.089 200 F CA 0.247 58.263 58.000 0.027 0.000 1.377 200 F CB -0.836 38.220 39.000 0.094 0.000 1.051 200 F HN 0.339 nan 8.300 nan 0.000 0.511 201 F N 0.793 120.672 119.950 -0.118 0.000 2.075 201 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 201 F C 2.424 178.060 175.800 -0.272 0.000 1.113 201 F CA 1.522 59.203 58.000 -0.531 0.000 1.218 201 F CB -0.572 38.273 39.000 -0.258 0.000 0.984 201 F HN -0.076 nan 8.300 nan 0.000 0.472 202 A N -0.074 122.773 122.820 0.045 0.000 1.892 202 A HA -0.336 3.984 4.320 -0.000 0.000 0.218 202 A C 2.214 179.747 177.584 -0.085 0.000 1.188 202 A CA 2.158 54.257 52.037 0.102 0.000 0.631 202 A CB -1.247 17.838 19.000 0.141 0.000 0.822 202 A HN 0.630 nan 8.150 nan 0.000 0.447 203 Q N -1.545 118.187 119.800 -0.113 0.000 2.020 203 Q HA -0.286 4.054 4.340 -0.000 0.000 0.202 203 Q C 2.073 177.857 176.000 -0.359 0.000 0.982 203 Q CA 2.166 57.821 55.803 -0.247 0.000 0.838 203 Q CB -0.305 28.301 28.738 -0.219 0.000 0.899 203 Q HN 0.885 nan 8.270 nan 0.000 0.423 204 H N -0.520 118.286 119.070 -0.441 0.000 2.290 204 H HA -0.199 4.357 4.556 -0.000 0.000 0.298 204 H C 1.705 176.828 175.328 -0.342 0.000 1.087 204 H CA 2.248 58.011 56.048 -0.475 0.000 1.291 204 H CB -0.538 28.886 29.762 -0.564 0.000 1.369 204 H HN 0.376 nan 8.280 nan 0.000 0.492 205 F N 1.199 120.757 119.950 -0.653 0.000 2.069 205 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 205 F C 2.694 177.851 175.800 -1.072 0.000 1.113 205 F CA 2.402 59.913 58.000 -0.814 0.000 1.214 205 F CB -1.080 37.492 39.000 -0.712 0.000 0.978 205 F HN 0.376 nan 8.300 nan 0.000 0.474 206 T N -2.704 111.162 114.554 -1.147 0.000 2.867 206 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 206 T C 1.514 175.274 174.700 -1.566 0.000 1.057 206 T CA 1.674 62.658 62.100 -1.860 0.000 1.136 206 T CB -0.991 67.216 68.868 -1.102 0.000 0.874 206 T HN 0.392 nan 8.240 nan 0.000 0.466 207 H N 1.837 120.349 119.070 -0.929 0.000 2.562 207 H HA 0.117 4.673 4.556 -0.000 0.000 0.272 207 H C 2.312 177.239 175.328 -0.670 0.000 1.019 207 H CA 0.945 56.653 56.048 -0.567 0.000 1.160 207 H CB -0.339 29.339 29.762 -0.140 0.000 1.334 207 H HN 0.777 nan 8.280 nan 0.000 0.611 208 Q N -0.198 118.996 119.800 -1.009 0.000 2.376 208 Q HA -0.021 4.319 4.340 -0.000 0.000 0.206 208 Q C 0.728 176.340 176.000 -0.647 0.000 0.921 208 Q CA 0.708 55.992 55.803 -0.866 0.000 0.911 208 Q CB 0.019 27.973 28.738 -1.306 0.000 1.032 208 Q HN 0.572 nan 8.270 nan 0.000 0.510 209 F N -2.898 116.612 119.950 -0.734 0.000 2.728 209 F HA 0.514 5.041 4.527 -0.000 0.000 0.314 209 F C -0.383 175.064 175.800 -0.589 0.000 1.094 209 F CA -1.136 56.458 58.000 -0.677 0.000 1.217 209 F CB 0.640 39.196 39.000 -0.740 0.000 1.056 209 F HN -0.218 nan 8.300 nan 0.000 0.577 210 F N 3.239 122.963 119.950 -0.376 0.000 2.325 210 F HA 0.521 5.048 4.527 -0.000 0.000 0.369 210 F C -0.128 175.479 175.800 -0.321 0.000 1.095 210 F CA -1.612 56.219 58.000 -0.283 0.000 1.082 210 F CB 1.285 39.966 39.000 -0.532 0.000 1.289 210 F HN -0.060 nan 8.300 nan 0.000 0.462 211 K N 2.050 122.468 120.400 0.029 0.000 2.992 211 K HA 0.194 4.514 4.320 -0.000 0.000 0.178 211 K C -0.477 176.115 176.600 -0.014 0.000 1.122 211 K CA -0.301 55.946 56.287 -0.067 0.000 0.926 211 K CB 1.147 33.560 32.500 -0.145 0.000 1.121 211 K HN 0.371 nan 8.250 nan 0.000 0.610 212 T N 1.216 115.819 114.554 0.081 0.000 2.908 212 T HA -0.053 4.297 4.350 -0.000 0.000 0.301 212 T C 0.498 175.216 174.700 0.031 0.000 1.019 212 T CA 0.545 62.711 62.100 0.111 0.000 1.152 212 T CB 0.830 69.798 68.868 0.167 0.000 0.966 212 T HN 0.224 nan 8.240 nan 0.000 0.540 213 S N 2.370 118.079 115.700 0.015 0.000 2.481 213 S HA 0.339 4.809 4.470 -0.000 0.000 0.276 213 S C 1.633 176.232 174.600 -0.002 0.000 1.247 213 S CA -0.464 57.728 58.200 -0.014 0.000 1.053 213 S CB 0.378 63.548 63.200 -0.050 0.000 0.925 213 S HN 0.841 nan 8.310 nan 0.000 0.491 214 G N 4.996 113.786 108.800 -0.016 0.000 2.421 214 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 214 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 214 G C 1.530 176.409 174.900 -0.036 0.000 1.143 214 G CA 0.709 45.798 45.100 -0.018 0.000 0.784 214 G HN 0.780 nan 8.290 nan 0.000 0.541 215 K N -0.028 120.336 120.400 -0.061 0.000 2.116 215 K HA 0.135 4.455 4.320 -0.000 0.000 0.203 215 K C 2.210 178.730 176.600 -0.133 0.000 1.052 215 K CA 0.770 57.006 56.287 -0.085 0.000 0.952 215 K CB -0.363 32.083 32.500 -0.090 0.000 0.729 215 K HN 0.336 nan 8.250 nan 0.000 0.446 216 M N 0.762 120.248 119.600 -0.190 0.000 2.388 216 M HA 0.107 4.587 4.480 -0.000 0.000 0.265 216 M C 0.721 176.908 176.300 -0.189 0.000 1.088 216 M CA 0.899 55.971 55.300 -0.380 0.000 1.134 216 M CB 0.079 32.252 32.600 -0.712 0.000 1.384 216 M HN 0.495 nan 8.290 nan 0.000 0.447 217 G N 0.474 109.287 108.800 0.021 0.000 2.592 217 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.684 217 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.684 217 G C -3.135 171.923 174.900 0.264 0.000 1.291 217 G CA -1.424 43.762 45.100 0.143 0.000 0.891 217 G HN 0.025 nan 8.290 nan 0.000 0.544 218 P HA 0.391 nan 4.420 nan 0.000 0.268 218 P C 1.087 178.462 177.300 0.125 0.000 1.208 218 P CA 2.163 65.351 63.100 0.147 0.000 0.777 218 P CB 0.704 32.453 31.700 0.082 0.000 0.875 219 G N -0.015 108.854 108.800 0.115 0.000 2.179 219 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 219 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 219 G C -0.230 174.436 174.900 -0.389 0.000 0.977 219 G CA -0.450 44.629 45.100 -0.034 0.000 0.641 219 G HN 0.400 nan 8.290 nan 0.000 0.533 220 F N 0.219 120.154 119.950 -0.025 0.000 2.520 220 F HA 0.722 5.249 4.527 -0.000 0.000 0.322 220 F C 0.414 175.950 175.800 -0.439 0.000 1.103 220 F CA -0.261 57.572 58.000 -0.279 0.000 0.926 220 F CB 2.573 41.423 39.000 -0.251 0.000 1.154 220 F HN 0.059 nan 8.300 nan 0.000 0.453 221 T N 1.243 115.529 114.554 -0.447 0.000 2.924 221 T HA 0.394 4.744 4.350 -0.000 0.000 0.291 221 T C 0.303 174.838 174.700 -0.275 0.000 1.045 221 T CA -0.628 61.161 62.100 -0.519 0.000 1.015 221 T CB 1.457 69.744 68.868 -0.968 0.000 1.103 221 T HN 0.731 nan 8.240 nan 0.000 0.496 222 K N 1.517 121.785 120.400 -0.219 0.000 2.355 222 K HA 0.323 4.643 4.320 -0.000 0.000 0.198 222 K C 0.868 177.352 176.600 -0.194 0.000 1.039 222 K CA -0.086 56.100 56.287 -0.168 0.000 1.075 222 K CB 0.646 33.071 32.500 -0.126 0.000 0.870 222 K HN 0.511 nan 8.250 nan 0.000 0.540 223 A N 2.787 125.455 122.820 -0.254 0.000 3.077 223 A HA 0.199 4.519 4.320 -0.000 0.000 0.255 223 A C 0.410 177.784 177.584 -0.349 0.000 1.728 223 A CA -0.222 51.653 52.037 -0.271 0.000 1.383 223 A CB -0.940 17.898 19.000 -0.269 0.000 1.097 223 A HN 0.159 nan 8.150 nan 0.000 0.634 224 L N -0.375 120.709 121.223 -0.232 0.000 2.492 224 L HA 0.313 4.653 4.340 -0.000 0.000 0.280 224 L C 1.687 178.499 176.870 -0.096 0.000 1.240 224 L CA 0.979 55.737 54.840 -0.137 0.000 0.831 224 L CB -0.027 41.999 42.059 -0.054 0.000 1.100 224 L HN 0.733 nan 8.230 nan 0.000 0.505 225 G N -0.970 107.856 108.800 0.042 0.000 2.475 225 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.209 225 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.209 225 G C 0.371 175.323 174.900 0.087 0.000 1.127 225 G CA 0.030 45.149 45.100 0.031 0.000 0.681 225 G HN 0.849 nan 8.290 nan 0.000 0.517 226 H N 1.317 120.354 119.070 -0.054 0.000 2.626 226 H HA -0.078 4.478 4.556 -0.000 0.000 0.317 226 H C 1.167 176.431 175.328 -0.106 0.000 1.140 226 H CA 2.135 58.148 56.048 -0.058 0.000 1.134 226 H CB -1.494 28.237 29.762 -0.052 0.000 1.486 226 H HN 2.064 nan 8.280 nan 0.000 0.417 227 G N -1.648 107.120 108.800 -0.053 0.000 2.399 227 G HA2 0.199 4.159 3.960 -0.000 0.000 0.256 227 G HA3 0.199 4.159 3.960 -0.000 0.000 0.256 227 G C -0.802 174.084 174.900 -0.024 0.000 1.236 227 G CA -0.259 44.762 45.100 -0.131 0.000 0.914 227 G HN 0.158 nan 8.290 nan 0.000 0.482 228 V N 2.697 122.613 119.914 0.003 0.000 2.223 228 V HA 0.272 4.392 4.120 -0.000 0.000 0.249 228 V C 0.441 176.580 176.094 0.074 0.000 1.233 228 V CA 0.826 63.158 62.300 0.053 0.000 1.131 228 V CB 0.307 32.223 31.823 0.155 0.000 1.298 228 V HN 0.765 nan 8.190 nan 0.000 0.498 229 D N 3.120 123.545 120.400 0.042 0.000 2.433 229 D HA 0.030 4.670 4.640 -0.000 0.000 0.211 229 D C 0.877 177.254 176.300 0.129 0.000 1.114 229 D CA -0.445 53.604 54.000 0.081 0.000 0.837 229 D CB 0.509 41.341 40.800 0.053 0.000 0.984 229 D HN 0.255 nan 8.370 nan 0.000 0.505 230 L N 0.579 121.865 121.223 0.106 0.000 4.040 230 L HA -0.154 4.186 4.340 -0.000 0.000 0.410 230 L C 1.719 178.730 176.870 0.234 0.000 1.187 230 L CA 0.624 55.587 54.840 0.206 0.000 0.956 230 L CB -2.029 40.152 42.059 0.203 0.000 2.022 230 L HN 0.312 nan 8.230 nan 0.000 0.897 231 G N -0.545 108.333 108.800 0.130 0.000 2.498 231 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 231 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 231 G C 1.181 176.081 174.900 0.001 0.000 1.119 231 G CA 0.836 45.971 45.100 0.058 0.000 0.766 231 G HN 0.820 nan 8.290 nan 0.000 0.552 232 H N -0.387 118.514 119.070 -0.282 0.000 2.555 232 H HA 0.241 4.797 4.556 -0.000 0.000 0.269 232 H C 1.854 177.020 175.328 -0.270 0.000 0.988 232 H CA 0.156 55.983 56.048 -0.369 0.000 1.178 232 H CB -0.265 29.249 29.762 -0.414 0.000 1.373 232 H HN 0.452 nan 8.280 nan 0.000 0.588 233 I N -0.965 119.340 120.570 -0.442 0.000 3.565 233 I HA -0.031 4.139 4.170 -0.000 0.000 0.287 233 I C 0.958 176.765 176.117 -0.517 0.000 1.193 233 I CA 0.133 61.081 61.300 -0.587 0.000 1.402 233 I CB 0.200 37.650 38.000 -0.917 0.000 1.284 233 I HN -0.020 nan 8.210 nan 0.000 0.454 234 Y N 1.430 121.701 120.300 -0.049 0.000 2.458 234 Y HA 0.505 5.055 4.550 -0.000 0.000 0.256 234 Y C 1.095 176.993 175.900 -0.004 0.000 1.159 234 Y CA -0.071 58.041 58.100 0.020 0.000 1.261 234 Y CB 0.119 38.650 38.460 0.117 0.000 1.119 234 Y HN 0.128 nan 8.280 nan 0.000 0.524 235 G N 1.218 110.043 108.800 0.041 0.000 2.675 235 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.686 235 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.686 235 G C -0.383 174.509 174.900 -0.013 0.000 1.215 235 G CA -0.323 44.768 45.100 -0.016 0.000 0.777 235 G HN 0.314 nan 8.290 nan 0.000 0.638 236 D N -0.364 119.997 120.400 -0.066 0.000 2.328 236 D HA 0.116 4.756 4.640 -0.000 0.000 0.221 236 D C 0.727 176.989 176.300 -0.063 0.000 1.072 236 D CA 0.597 54.555 54.000 -0.070 0.000 0.850 236 D CB -0.099 40.634 40.800 -0.111 0.000 0.922 236 D HN 0.838 nan 8.370 nan 0.000 0.516 237 N N -0.272 118.393 118.700 -0.059 0.000 2.405 237 N HA 0.058 4.798 4.740 -0.000 0.000 0.274 237 N C 0.279 175.729 175.510 -0.099 0.000 1.170 237 N CA -0.753 52.252 53.050 -0.075 0.000 0.848 237 N CB 1.486 39.925 38.487 -0.080 0.000 1.629 237 N HN -0.121 nan 8.380 nan 0.000 0.481 238 L N 0.788 121.918 121.223 -0.155 0.000 1.990 238 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 238 L C 2.583 179.228 176.870 -0.375 0.000 1.072 238 L CA 2.557 57.211 54.840 -0.311 0.000 0.755 238 L CB -0.347 41.477 42.059 -0.391 0.000 0.889 238 L HN 0.835 nan 8.230 nan 0.000 0.432 239 E N -0.203 119.856 120.200 -0.234 0.000 2.118 239 E HA -0.320 4.030 4.350 -0.000 0.000 0.195 239 E C 2.253 178.838 176.600 -0.024 0.000 0.992 239 E CA 1.352 57.680 56.400 -0.120 0.000 0.804 239 E CB -0.400 29.264 29.700 -0.061 0.000 0.741 239 E HN 0.404 nan 8.360 nan 0.000 0.458 240 R N 0.763 121.237 120.500 -0.042 0.000 2.075 240 R HA -0.185 4.155 4.340 -0.000 0.000 0.232 240 R C 2.627 178.942 176.300 0.025 0.000 1.126 240 R CA 1.750 57.843 56.100 -0.012 0.000 0.963 240 R CB -0.206 30.070 30.300 -0.041 0.000 0.858 240 R HN 0.380 nan 8.270 nan 0.000 0.435 241 Q N -0.233 119.575 119.800 0.014 0.000 2.030 241 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 241 Q C 1.790 177.871 176.000 0.134 0.000 0.986 241 Q CA 1.983 57.826 55.803 0.067 0.000 0.843 241 Q CB -0.358 28.410 28.738 0.050 0.000 0.904 241 Q HN 0.574 nan 8.270 nan 0.000 0.420 242 Y N -0.224 120.077 120.300 0.003 0.000 2.151 242 Y HA -0.289 4.261 4.550 -0.000 0.000 0.284 242 Y C 2.607 178.601 175.900 0.158 0.000 1.166 242 Y CA 0.765 58.949 58.100 0.140 0.000 1.163 242 Y CB 0.084 38.679 38.460 0.226 0.000 0.974 242 Y HN 0.317 nan 8.280 nan 0.000 0.511 243 Q N 0.002 119.948 119.800 0.242 0.000 2.224 243 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 243 Q C 1.751 177.802 176.000 0.085 0.000 0.970 243 Q CA 1.012 56.903 55.803 0.147 0.000 0.865 243 Q CB -0.167 28.625 28.738 0.089 0.000 0.922 243 Q HN 0.318 nan 8.270 nan 0.000 0.445 244 L N -0.573 120.682 121.223 0.053 0.000 2.446 244 L HA 0.140 4.480 4.340 -0.000 0.000 0.219 244 L C 0.400 177.244 176.870 -0.042 0.000 1.116 244 L CA 0.854 55.704 54.840 0.016 0.000 0.844 244 L CB -0.081 41.993 42.059 0.025 0.000 0.970 244 L HN -0.015 nan 8.230 nan 0.000 0.457 245 R N -0.999 119.394 120.500 -0.179 0.000 2.500 245 R HA 0.181 4.521 4.340 -0.000 0.000 0.275 245 R C 1.077 177.177 176.300 -0.335 0.000 1.051 245 R CA -0.367 55.477 56.100 -0.426 0.000 1.088 245 R CB 1.140 30.790 30.300 -1.083 0.000 1.063 245 R HN 0.039 nan 8.270 nan 0.000 0.511 246 L N 1.666 122.755 121.223 -0.223 0.000 2.209 246 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 246 L C 0.004 176.903 176.870 0.047 0.000 1.094 246 L CA 0.957 55.777 54.840 -0.035 0.000 0.790 246 L CB 0.152 42.240 42.059 0.049 0.000 0.932 246 L HN 0.785 nan 8.230 nan 0.000 0.447 247 F N 0.058 119.986 119.950 -0.038 0.000 2.965 247 F HA -0.271 4.256 4.527 -0.000 0.000 0.287 247 F C 0.456 176.250 175.800 -0.010 0.000 0.790 247 F CA 0.677 58.634 58.000 -0.071 0.000 1.279 247 F CB -1.199 37.722 39.000 -0.132 0.000 1.409 247 F HN 0.130 nan 8.300 nan 0.000 0.446 248 K N 0.648 121.120 120.400 0.120 0.000 2.565 248 K HA 0.401 4.721 4.320 -0.000 0.000 0.249 248 K C -0.026 176.651 176.600 0.128 0.000 0.958 248 K CA -0.375 55.986 56.287 0.122 0.000 0.806 248 K CB 1.203 33.768 32.500 0.109 0.000 1.194 248 K HN 0.022 nan 8.250 nan 0.000 0.434 249 D N 3.177 123.656 120.400 0.131 0.000 2.983 249 D HA -0.194 4.446 4.640 -0.000 0.000 0.225 249 D C 0.672 177.073 176.300 0.168 0.000 1.174 249 D CA 1.893 55.977 54.000 0.139 0.000 0.831 249 D CB -1.297 39.576 40.800 0.121 0.000 1.104 249 D HN 1.123 nan 8.370 nan 0.000 0.421 250 G N -0.473 108.439 108.800 0.187 0.000 2.166 250 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.260 250 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.260 250 G C 0.417 175.558 174.900 0.402 0.000 0.986 250 G CA 1.109 46.376 45.100 0.278 0.000 0.683 250 G HN 0.521 nan 8.290 nan 0.000 0.527 251 K N -0.973 119.600 120.400 0.289 0.000 2.102 251 K HA 0.638 4.958 4.320 -0.000 0.000 0.244 251 K C 0.047 176.828 176.600 0.301 0.000 1.021 251 K CA -0.901 55.606 56.287 0.366 0.000 0.913 251 K CB 0.742 33.408 32.500 0.277 0.000 1.062 251 K HN 0.020 nan 8.250 nan 0.000 0.485 252 L N 1.825 123.250 121.223 0.337 0.000 2.343 252 L HA 0.259 4.599 4.340 -0.000 0.000 0.275 252 L C 0.097 177.110 176.870 0.239 0.000 1.056 252 L CA -0.147 54.812 54.840 0.197 0.000 0.804 252 L CB 1.211 43.364 42.059 0.157 0.000 1.203 252 L HN 0.443 nan 8.230 nan 0.000 0.440 253 K N 2.531 123.007 120.400 0.126 0.000 2.336 253 K HA 0.293 4.613 4.320 -0.000 0.000 0.262 253 K C -1.152 175.560 176.600 0.187 0.000 0.992 253 K CA 0.493 56.827 56.287 0.078 0.000 0.927 253 K CB 0.471 32.977 32.500 0.010 0.000 0.956 253 K HN 0.581 nan 8.250 nan 0.000 0.495 254 Y N -2.488 117.842 120.300 0.051 0.000 2.788 254 Y HA 0.279 4.829 4.550 -0.000 0.000 0.335 254 Y C -1.710 174.226 175.900 0.059 0.000 1.287 254 Y CA -1.370 56.765 58.100 0.057 0.000 1.068 254 Y CB 0.974 39.464 38.460 0.049 0.000 1.340 254 Y HN 0.613 nan 8.280 nan 0.000 0.449 255 Q N 1.349 121.293 119.800 0.240 0.000 2.416 255 Q HA 0.666 5.006 4.340 -0.000 0.000 0.281 255 Q C -1.774 174.392 176.000 0.276 0.000 1.067 255 Q CA -1.270 54.621 55.803 0.147 0.000 0.809 255 Q CB 2.792 31.591 28.738 0.102 0.000 1.418 255 Q HN 0.631 nan 8.270 nan 0.000 0.411 256 M N 2.564 122.286 119.600 0.202 0.000 2.238 256 M HA 0.529 5.009 4.480 -0.000 0.000 0.350 256 M C -1.119 175.295 176.300 0.190 0.000 1.138 256 M CA -0.435 54.985 55.300 0.201 0.000 1.040 256 M CB 0.847 33.537 32.600 0.149 0.000 1.639 256 M HN 0.680 nan 8.290 nan 0.000 0.451 257 L N 4.155 125.538 121.223 0.268 0.000 2.482 257 L HA 0.385 4.725 4.340 -0.000 0.000 0.269 257 L C -0.145 176.855 176.870 0.217 0.000 0.967 257 L CA -0.568 54.397 54.840 0.209 0.000 0.851 257 L CB 1.694 43.844 42.059 0.152 0.000 1.242 257 L HN 0.752 nan 8.230 nan 0.000 0.404 258 N N 2.451 121.218 118.700 0.111 0.000 2.747 258 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 258 N C 0.946 176.503 175.510 0.079 0.000 1.107 258 N CA 1.306 54.406 53.050 0.083 0.000 0.707 258 N CB -0.978 37.560 38.487 0.085 0.000 1.054 258 N HN 1.147 nan 8.380 nan 0.000 0.555 259 G N -1.496 107.349 108.800 0.074 0.000 2.155 259 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 259 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 259 G C -0.170 174.743 174.900 0.021 0.000 0.983 259 G CA 0.872 45.998 45.100 0.044 0.000 0.676 259 G HN 0.484 nan 8.290 nan 0.000 0.528 260 E N -0.693 119.531 120.200 0.041 0.000 2.235 260 E HA 0.608 4.958 4.350 -0.000 0.000 0.265 260 E C 0.040 176.503 176.600 -0.227 0.000 0.940 260 E CA -0.822 55.511 56.400 -0.112 0.000 0.819 260 E CB 2.195 31.822 29.700 -0.122 0.000 1.206 260 E HN 0.126 nan 8.360 nan 0.000 0.409 261 V N 2.809 122.468 119.914 -0.426 0.000 2.432 261 V HA 0.308 4.428 4.120 -0.000 0.000 0.275 261 V C -0.811 174.926 176.094 -0.596 0.000 1.043 261 V CA -0.230 61.868 62.300 -0.337 0.000 0.925 261 V CB -0.154 31.484 31.823 -0.308 0.000 0.985 261 V HN 0.503 nan 8.190 nan 0.000 0.466 262 Y N 4.113 124.470 120.300 0.094 0.000 2.581 262 Y HA 0.485 5.035 4.550 -0.000 0.000 0.345 262 Y C -2.419 173.550 175.900 0.115 0.000 1.036 262 Y CA -2.772 55.373 58.100 0.076 0.000 1.042 262 Y CB 2.147 40.636 38.460 0.049 0.000 1.289 262 Y HN 0.427 nan 8.280 nan 0.000 0.471 263 P HA -0.019 nan 4.420 nan 0.000 0.267 263 P C -2.446 174.954 177.300 0.167 0.000 1.201 263 P CA -0.586 62.627 63.100 0.188 0.000 0.775 263 P CB 0.034 31.825 31.700 0.152 0.000 0.854 264 P HA 0.010 nan 4.420 nan 0.000 0.274 264 P C -0.415 176.918 177.300 0.054 0.000 1.260 264 P CA -0.018 63.124 63.100 0.072 0.000 0.793 264 P CB 0.445 32.167 31.700 0.037 0.000 1.048 265 S N -1.175 114.541 115.700 0.026 0.000 2.672 265 S HA 0.154 4.624 4.470 -0.000 0.000 0.276 265 S C 1.325 175.933 174.600 0.013 0.000 1.207 265 S CA -0.712 57.493 58.200 0.010 0.000 1.002 265 S CB 0.384 63.576 63.200 -0.014 0.000 0.998 265 S HN 0.194 nan 8.310 nan 0.000 0.542 266 V N 1.376 121.297 119.914 0.011 0.000 2.982 266 V HA -0.121 3.999 4.120 -0.000 0.000 0.265 266 V C 2.523 178.621 176.094 0.008 0.000 1.122 266 V CA 2.198 64.510 62.300 0.019 0.000 1.143 266 V CB -1.318 30.521 31.823 0.028 0.000 0.726 266 V HN 1.011 nan 8.190 nan 0.000 0.507 267 E N -0.255 119.943 120.200 -0.003 0.000 2.112 267 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 267 E C 2.073 178.671 176.600 -0.002 0.000 0.979 267 E CA 0.695 57.092 56.400 -0.005 0.000 0.814 267 E CB 0.172 29.864 29.700 -0.013 0.000 0.762 267 E HN 0.526 nan 8.360 nan 0.000 0.460 268 E N -0.418 119.780 120.200 -0.003 0.000 2.385 268 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 268 E C -0.141 176.464 176.600 0.007 0.000 1.013 268 E CA 0.362 56.759 56.400 -0.005 0.000 0.866 268 E CB 1.082 30.771 29.700 -0.018 0.000 0.832 268 E HN 0.132 nan 8.360 nan 0.000 0.500 269 A N 2.141 124.969 122.820 0.014 0.000 2.893 269 A HA 0.416 4.736 4.320 -0.000 0.000 0.333 269 A C -2.545 175.052 177.584 0.022 0.000 1.152 269 A CA -1.434 50.617 52.037 0.024 0.000 0.782 269 A CB 0.555 19.572 19.000 0.027 0.000 1.108 269 A HN -0.200 nan 8.150 nan 0.000 0.469 270 P HA 0.142 nan 4.420 nan 0.000 0.245 270 P C -0.422 176.886 177.300 0.014 0.000 1.670 270 P CA 0.684 63.793 63.100 0.017 0.000 1.146 270 P CB 0.128 31.837 31.700 0.016 0.000 1.954 271 V N 3.584 123.504 119.914 0.010 0.000 2.680 271 V HA 0.238 4.358 4.120 -0.000 0.000 0.309 271 V C 0.095 176.177 176.094 -0.020 0.000 1.052 271 V CA -1.209 61.086 62.300 -0.008 0.000 0.908 271 V CB 2.579 34.394 31.823 -0.013 0.000 1.001 271 V HN 0.224 nan 8.190 nan 0.000 0.431 272 L N 6.148 127.341 121.223 -0.050 0.000 2.477 272 L HA 0.298 4.638 4.340 -0.000 0.000 0.272 272 L C -0.604 176.170 176.870 -0.160 0.000 1.157 272 L CA 0.960 55.752 54.840 -0.079 0.000 0.889 272 L CB 0.619 42.622 42.059 -0.092 0.000 1.158 272 L HN 0.586 nan 8.230 nan 0.000 0.473 273 M N 4.940 124.473 119.600 -0.111 0.000 2.518 273 M HA 0.320 4.800 4.480 -0.000 0.000 0.300 273 M C -0.745 175.468 176.300 -0.144 0.000 1.175 273 M CA -0.652 54.548 55.300 -0.166 0.000 0.890 273 M CB 1.865 34.517 32.600 0.088 0.000 1.710 273 M HN 0.408 nan 8.290 nan 0.000 0.453 274 H N 2.821 121.807 119.070 -0.141 0.000 2.820 274 H HA 0.444 5.000 4.556 -0.000 0.000 0.278 274 H C -1.284 173.938 175.328 -0.176 0.000 1.142 274 H CA 0.112 56.108 56.048 -0.087 0.000 1.346 274 H CB -0.168 29.558 29.762 -0.059 0.000 1.438 274 H HN 0.401 nan 8.280 nan 0.000 0.473 275 Y N 1.862 122.302 120.300 0.232 0.000 2.536 275 Y HA 0.316 4.866 4.550 -0.000 0.000 0.347 275 Y C -1.837 174.139 175.900 0.127 0.000 1.000 275 Y CA -2.472 55.760 58.100 0.219 0.000 1.051 275 Y CB 1.256 39.798 38.460 0.137 0.000 1.259 275 Y HN 0.452 nan 8.280 nan 0.000 0.468 276 P HA 0.208 nan 4.420 nan 0.000 0.271 276 P C -0.547 176.782 177.300 0.048 0.000 1.218 276 P CA -0.497 62.609 63.100 0.011 0.000 0.780 276 P CB 0.577 32.164 31.700 -0.189 0.000 0.901 277 R N 1.614 122.125 120.500 0.018 0.000 2.570 277 R HA 0.299 4.639 4.340 -0.000 0.000 0.277 277 R C 1.428 177.728 176.300 0.001 0.000 1.039 277 R CA 1.245 57.356 56.100 0.018 0.000 1.065 277 R CB -0.612 29.692 30.300 0.006 0.000 0.964 277 R HN 0.920 nan 8.270 nan 0.000 0.428 278 G N 1.958 110.759 108.800 0.002 0.000 2.211 278 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.201 278 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.201 278 G C 0.164 175.054 174.900 -0.017 0.000 0.997 278 G CA -0.468 44.626 45.100 -0.010 0.000 0.652 278 G HN 0.487 nan 8.290 nan 0.000 0.500 279 I N 3.619 124.178 120.570 -0.018 0.000 2.336 279 I HA 0.334 4.504 4.170 -0.000 0.000 0.292 279 I C -1.618 174.454 176.117 -0.075 0.000 0.991 279 I CA -2.195 59.072 61.300 -0.055 0.000 1.227 279 I CB 1.668 39.622 38.000 -0.077 0.000 1.366 279 I HN -0.048 nan 8.210 nan 0.000 0.466 280 P HA 0.208 nan 4.420 nan 0.000 0.275 280 P C -2.429 174.808 177.300 -0.105 0.000 1.228 280 P CA -1.442 61.615 63.100 -0.072 0.000 0.786 280 P CB 0.534 32.199 31.700 -0.059 0.000 0.927 281 P HA -0.152 nan 4.420 nan 0.000 0.216 281 P C 1.424 178.672 177.300 -0.087 0.000 1.150 281 P CA 1.705 64.759 63.100 -0.076 0.000 0.843 281 P CB -0.141 31.537 31.700 -0.037 0.000 0.787 282 Q N -1.119 118.637 119.800 -0.072 0.000 2.561 282 Q HA -0.012 4.328 4.340 -0.000 0.000 0.217 282 Q C 1.064 177.011 176.000 -0.090 0.000 0.980 282 Q CA 0.939 56.703 55.803 -0.065 0.000 0.927 282 Q CB -0.380 28.329 28.738 -0.049 0.000 0.980 282 Q HN 0.273 nan 8.270 nan 0.000 0.525 283 S N -0.234 115.385 115.700 -0.136 0.000 2.603 283 S HA 0.103 4.573 4.470 -0.000 0.000 0.232 283 S C -0.052 174.378 174.600 -0.282 0.000 1.016 283 S CA -0.178 57.918 58.200 -0.174 0.000 0.976 283 S CB 0.574 63.672 63.200 -0.170 0.000 0.921 283 S HN 0.278 nan 8.310 nan 0.000 0.516 284 Q N 1.391 121.005 119.800 -0.309 0.000 2.314 284 Q HA 0.460 4.800 4.340 -0.000 0.000 0.259 284 Q C -0.745 175.212 176.000 -0.072 0.000 0.951 284 Q CA 0.104 55.649 55.803 -0.430 0.000 0.909 284 Q CB 1.261 29.755 28.738 -0.407 0.000 1.236 284 Q HN 0.325 nan 8.270 nan 0.000 0.444 285 M N 1.589 121.234 119.600 0.075 0.000 2.249 285 M HA 0.458 4.938 4.480 -0.000 0.000 0.351 285 M C -0.295 176.099 176.300 0.158 0.000 1.180 285 M CA -0.504 54.864 55.300 0.114 0.000 1.127 285 M CB 1.323 33.993 32.600 0.116 0.000 1.546 285 M HN 0.619 nan 8.290 nan 0.000 0.461 286 A N 2.620 125.500 122.820 0.099 0.000 2.260 286 A HA 0.573 4.893 4.320 -0.000 0.000 0.314 286 A C 0.403 178.019 177.584 0.053 0.000 1.257 286 A CA -0.649 51.429 52.037 0.068 0.000 0.871 286 A CB 0.184 19.211 19.000 0.045 0.000 1.166 286 A HN 0.847 nan 8.150 nan 0.000 0.522 287 V N 0.057 119.982 119.914 0.019 0.000 3.382 287 V HA 0.588 4.708 4.120 -0.000 0.000 0.296 287 V C 1.086 177.129 176.094 -0.084 0.000 1.529 287 V CA 0.579 62.884 62.300 0.007 0.000 1.048 287 V CB -0.573 31.315 31.823 0.108 0.000 0.878 287 V HN 2.089 nan 8.190 nan 0.000 0.442 288 G N 0.239 108.962 108.800 -0.128 0.000 2.490 288 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.214 288 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.214 288 G C 0.318 175.047 174.900 -0.285 0.000 1.151 288 G CA 0.327 45.327 45.100 -0.167 0.000 0.684 288 G HN 0.527 nan 8.290 nan 0.000 0.518 289 Q N 1.731 121.238 119.800 -0.488 0.000 2.465 289 Q HA 0.471 4.811 4.340 -0.000 0.000 0.237 289 Q C 1.199 176.810 176.000 -0.648 0.000 1.051 289 Q CA -0.032 55.301 55.803 -0.784 0.000 0.874 289 Q CB 1.186 28.861 28.738 -1.772 0.000 1.207 289 Q HN 0.629 nan 8.270 nan 0.000 0.508 290 E N 1.306 121.247 120.200 -0.432 0.000 2.284 290 E HA -0.169 4.181 4.350 -0.000 0.000 0.200 290 E C 1.251 177.642 176.600 -0.348 0.000 1.008 290 E CA 0.868 57.014 56.400 -0.423 0.000 0.829 290 E CB -0.003 29.323 29.700 -0.623 0.000 0.744 290 E HN 0.251 nan 8.360 nan 0.000 0.491 291 V N 0.142 119.919 119.914 -0.229 0.000 3.649 291 V HA -0.019 4.101 4.120 -0.000 0.000 0.275 291 V C 0.616 176.748 176.094 0.063 0.000 1.281 291 V CA 0.310 62.596 62.300 -0.024 0.000 1.143 291 V CB -0.330 31.552 31.823 0.099 0.000 0.892 291 V HN 0.197 nan 8.190 nan 0.000 0.441 292 F N 1.049 120.900 119.950 -0.166 0.000 2.546 292 F HA 0.099 4.626 4.527 -0.000 0.000 0.298 292 F C 2.280 177.945 175.800 -0.224 0.000 1.120 292 F CA 0.683 58.584 58.000 -0.165 0.000 1.456 292 F CB -1.374 37.578 39.000 -0.079 0.000 1.088 292 F HN 0.286 nan 8.300 nan 0.000 0.572 293 G N -0.076 108.636 108.800 -0.147 0.000 2.598 293 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.215 293 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.215 293 G C 1.591 176.310 174.900 -0.302 0.000 1.131 293 G CA 0.079 45.044 45.100 -0.224 0.000 0.785 293 G HN 0.355 nan 8.290 nan 0.000 0.539 294 L N -0.621 120.347 121.223 -0.424 0.000 2.622 294 L HA 0.338 4.678 4.340 -0.000 0.000 0.233 294 L C 0.262 176.742 176.870 -0.650 0.000 1.156 294 L CA 0.369 54.772 54.840 -0.729 0.000 0.866 294 L CB -0.309 41.383 42.059 -0.611 0.000 0.980 294 L HN 0.092 nan 8.230 nan 0.000 0.448 295 L N -1.574 119.338 121.223 -0.518 0.000 2.565 295 L HA 0.247 4.586 4.340 -0.000 0.000 0.261 295 L C -2.089 174.356 176.870 -0.708 0.000 0.932 295 L CA -1.316 53.105 54.840 -0.697 0.000 0.878 295 L CB 2.489 44.214 42.059 -0.557 0.000 1.333 295 L HN -0.343 nan 8.230 nan 0.000 0.409 296 P HA -0.113 nan 4.420 nan 0.000 0.217 296 P C 1.445 178.432 177.300 -0.521 0.000 1.150 296 P CA 1.352 64.102 63.100 -0.583 0.000 0.832 296 P CB 0.351 31.735 31.700 -0.526 0.000 0.787 297 G N -0.310 107.928 108.800 -0.936 0.000 2.440 297 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 297 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 297 G C 1.334 175.796 174.900 -0.730 0.000 1.154 297 G CA 0.647 44.866 45.100 -1.469 0.000 0.767 297 G HN 0.148 nan 8.290 nan 0.000 0.552 298 L N -0.471 120.386 121.223 -0.611 0.000 2.072 298 L HA 0.225 4.565 4.340 -0.000 0.000 0.205 298 L C 2.667 179.307 176.870 -0.384 0.000 1.079 298 L CA 1.307 55.835 54.840 -0.519 0.000 0.752 298 L CB -0.737 40.937 42.059 -0.642 0.000 0.906 298 L HN 0.214 nan 8.230 nan 0.000 0.436 299 M N -1.414 118.026 119.600 -0.266 0.000 2.394 299 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 299 M C 1.970 178.223 176.300 -0.078 0.000 1.073 299 M CA 1.289 56.529 55.300 -0.100 0.000 1.111 299 M CB -0.380 32.177 32.600 -0.072 0.000 1.401 299 M HN 0.172 nan 8.290 nan 0.000 0.448 300 L N -1.240 119.896 121.223 -0.145 0.000 1.994 300 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 300 L C 1.940 178.689 176.870 -0.202 0.000 1.071 300 L CA 1.833 56.589 54.840 -0.139 0.000 0.745 300 L CB -0.550 41.416 42.059 -0.155 0.000 0.892 300 L HN 0.248 nan 8.230 nan 0.000 0.431 301 Y N -0.067 120.083 120.300 -0.250 0.000 2.224 301 Y HA -0.203 4.347 4.550 -0.000 0.000 0.289 301 Y C 2.621 178.375 175.900 -0.243 0.000 1.146 301 Y CA 1.267 59.148 58.100 -0.364 0.000 1.182 301 Y CB -0.700 37.260 38.460 -0.834 0.000 0.983 301 Y HN 0.295 nan 8.280 nan 0.000 0.524 302 A N -0.581 122.217 122.820 -0.036 0.000 1.908 302 A HA -0.222 4.097 4.320 -0.000 0.000 0.218 302 A C 2.307 179.966 177.584 0.125 0.000 1.181 302 A CA 2.408 54.543 52.037 0.163 0.000 0.627 302 A CB -1.224 17.907 19.000 0.219 0.000 0.818 302 A HN 0.411 nan 8.150 nan 0.000 0.445 303 T N 0.326 114.920 114.554 0.067 0.000 2.674 303 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 303 T C 1.828 176.521 174.700 -0.012 0.000 1.039 303 T CA 1.475 63.604 62.100 0.048 0.000 1.150 303 T CB -0.440 68.469 68.868 0.067 0.000 0.864 303 T HN 0.419 nan 8.240 nan 0.000 0.427 304 I N -0.558 119.968 120.570 -0.073 0.000 2.091 304 I HA -0.244 3.926 4.170 -0.000 0.000 0.239 304 I C 2.315 178.363 176.117 -0.114 0.000 1.061 304 I CA 1.720 62.922 61.300 -0.163 0.000 1.317 304 I CB -0.414 37.408 38.000 -0.297 0.000 1.031 304 I HN 0.351 nan 8.210 nan 0.000 0.401 305 W N 0.622 121.926 121.300 0.007 0.000 2.363 305 W HA -0.162 4.498 4.660 -0.000 0.000 0.296 305 W C 2.496 179.029 176.519 0.024 0.000 1.212 305 W CA 0.727 58.092 57.345 0.033 0.000 1.260 305 W CB -0.336 29.134 29.460 0.017 0.000 1.131 305 W HN 0.152 nan 8.180 nan 0.000 0.530 306 L N 0.602 121.949 121.223 0.205 0.000 2.017 306 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 306 L C 2.542 179.489 176.870 0.128 0.000 1.073 306 L CA 1.711 56.636 54.840 0.141 0.000 0.745 306 L CB -0.351 41.765 42.059 0.095 0.000 0.894 306 L HN -0.101 nan 8.230 nan 0.000 0.432 307 R N -0.292 120.231 120.500 0.038 0.000 2.091 307 R HA -0.240 4.100 4.340 -0.000 0.000 0.238 307 R C 2.214 178.523 176.300 0.016 0.000 1.136 307 R CA 1.698 57.779 56.100 -0.031 0.000 0.959 307 R CB -0.302 29.935 30.300 -0.106 0.000 0.856 307 R HN 0.383 nan 8.270 nan 0.000 0.437 308 E N -0.203 120.027 120.200 0.049 0.000 2.077 308 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 308 E C 1.698 178.400 176.600 0.170 0.000 0.989 308 E CA 1.791 58.237 56.400 0.077 0.000 0.800 308 E CB -0.175 29.562 29.700 0.063 0.000 0.746 308 E HN 0.464 nan 8.360 nan 0.000 0.452 309 H N -0.066 119.109 119.070 0.175 0.000 2.290 309 H HA -0.063 4.493 4.556 -0.000 0.000 0.298 309 H C 1.675 177.092 175.328 0.148 0.000 1.087 309 H CA 2.339 58.511 56.048 0.207 0.000 1.291 309 H CB -0.214 29.704 29.762 0.260 0.000 1.369 309 H HN 0.149 nan 8.280 nan 0.000 0.492 310 N N 0.218 119.030 118.700 0.187 0.000 2.223 310 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 310 N C 2.018 177.528 175.510 -0.001 0.000 1.016 310 N CA 1.143 54.243 53.050 0.085 0.000 0.863 310 N CB -0.374 38.140 38.487 0.046 0.000 0.983 310 N HN 0.440 nan 8.380 nan 0.000 0.429 311 R N 0.711 121.209 120.500 -0.002 0.000 2.066 311 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 311 R C 1.686 177.980 176.300 -0.011 0.000 1.131 311 R CA 1.050 57.141 56.100 -0.016 0.000 0.955 311 R CB -0.254 30.036 30.300 -0.017 0.000 0.851 311 R HN -0.029 nan 8.270 nan 0.000 0.432 312 V N 0.444 120.353 119.914 -0.007 0.000 2.490 312 V HA -0.317 3.803 4.120 -0.000 0.000 0.250 312 V C 2.526 178.606 176.094 -0.023 0.000 1.061 312 V CA 1.658 63.957 62.300 -0.001 0.000 1.064 312 V CB -0.468 31.367 31.823 0.019 0.000 0.670 312 V HN 0.552 nan 8.190 nan 0.000 0.461 313 C N 0.025 119.282 119.300 -0.071 0.000 2.429 313 C HA -0.161 4.299 4.460 -0.000 0.000 0.277 313 C C 2.532 177.531 174.990 0.015 0.000 1.262 313 C CA 1.043 60.045 59.018 -0.027 0.000 1.733 313 C CB -1.022 26.708 27.740 -0.017 0.000 2.010 313 C HN 0.604 nan 8.230 nan 0.000 0.483 314 D N 0.761 121.164 120.400 0.004 0.000 2.123 314 D HA -0.096 4.544 4.640 -0.000 0.000 0.196 314 D C 2.076 178.372 176.300 -0.007 0.000 0.992 314 D CA 1.068 55.070 54.000 0.003 0.000 0.833 314 D CB -0.487 40.309 40.800 -0.006 0.000 0.954 314 D HN 0.444 nan 8.370 nan 0.000 0.455 315 L N -0.070 121.149 121.223 -0.006 0.000 2.046 315 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 315 L C 2.286 179.143 176.870 -0.022 0.000 1.077 315 L CA 0.473 55.305 54.840 -0.013 0.000 0.747 315 L CB -0.285 41.776 42.059 0.003 0.000 0.896 315 L HN 0.074 nan 8.230 nan 0.000 0.432 316 L N 0.091 121.317 121.223 0.006 0.000 2.046 316 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 316 L C 2.536 179.367 176.870 -0.065 0.000 1.077 316 L CA 1.680 56.523 54.840 0.005 0.000 0.747 316 L CB -0.927 41.182 42.059 0.083 0.000 0.896 316 L HN 0.205 nan 8.230 nan 0.000 0.432 317 K N -0.661 119.723 120.400 -0.026 0.000 2.103 317 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 317 K C 2.026 178.572 176.600 -0.090 0.000 1.048 317 K CA 1.308 57.574 56.287 -0.035 0.000 0.930 317 K CB -0.042 32.467 32.500 0.015 0.000 0.716 317 K HN 0.292 nan 8.250 nan 0.000 0.444 318 A N 0.655 123.420 122.820 -0.091 0.000 1.930 318 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 318 A C 1.916 179.385 177.584 -0.191 0.000 1.175 318 A CA 1.750 53.722 52.037 -0.109 0.000 0.627 318 A CB -0.378 18.573 19.000 -0.082 0.000 0.815 318 A HN 0.387 nan 8.150 nan 0.000 0.443 319 E N -0.726 119.307 120.200 -0.279 0.000 2.170 319 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 319 E C -0.302 175.763 176.600 -0.892 0.000 0.981 319 E CA 0.715 56.797 56.400 -0.530 0.000 0.830 319 E CB 0.003 29.369 29.700 -0.557 0.000 0.775 319 E HN 0.774 nan 8.360 nan 0.000 0.470 320 H N -1.543 117.236 119.070 -0.485 0.000 2.448 320 H HA 0.234 4.790 4.556 -0.000 0.000 0.237 320 H C -2.107 172.999 175.328 -0.370 0.000 1.391 320 H CA -1.770 53.885 56.048 -0.656 0.000 1.477 320 H CB 1.289 30.018 29.762 -1.722 0.000 1.520 320 H HN 0.050 nan 8.280 nan 0.000 0.502 321 P HA -0.172 nan 4.420 nan 0.000 0.221 321 P C 1.546 178.873 177.300 0.044 0.000 1.145 321 P CA 1.435 64.515 63.100 -0.032 0.000 0.795 321 P CB 0.314 31.991 31.700 -0.037 0.000 0.775 322 T N -6.999 107.605 114.554 0.083 0.000 3.067 322 T HA -0.020 4.330 4.350 -0.000 0.000 0.257 322 T C 0.481 175.370 174.700 0.316 0.000 1.105 322 T CA -0.234 61.971 62.100 0.175 0.000 1.104 322 T CB -0.537 68.442 68.868 0.186 0.000 0.925 322 T HN -0.128 nan 8.240 nan 0.000 0.498 323 W N 2.349 123.689 121.300 0.067 0.000 2.137 323 W HA 0.636 5.296 4.660 -0.000 0.000 0.344 323 W C 1.101 177.644 176.519 0.040 0.000 1.286 323 W CA -0.841 56.528 57.345 0.039 0.000 1.240 323 W CB -0.078 29.397 29.460 0.025 0.000 1.141 323 W HN 0.268 nan 8.180 nan 0.000 0.579 324 G N 0.540 109.478 108.800 0.230 0.000 2.531 324 G HA2 0.159 4.119 3.960 -0.000 0.000 0.313 324 G HA3 0.159 4.119 3.960 -0.000 0.000 0.313 324 G C 0.268 175.262 174.900 0.156 0.000 1.238 324 G CA -0.199 44.989 45.100 0.147 0.000 0.994 324 G HN 0.441 nan 8.290 nan 0.000 0.493 325 D N -0.871 119.611 120.400 0.136 0.000 2.106 325 D HA -0.162 4.478 4.640 -0.000 0.000 0.191 325 D C 2.053 178.448 176.300 0.158 0.000 0.997 325 D CA 1.623 55.715 54.000 0.152 0.000 0.834 325 D CB 0.152 41.042 40.800 0.151 0.000 0.956 325 D HN 0.313 nan 8.370 nan 0.000 0.448 326 E N 0.117 120.389 120.200 0.119 0.000 2.033 326 E HA -0.270 4.079 4.350 -0.000 0.000 0.199 326 E C 2.097 178.747 176.600 0.082 0.000 1.011 326 E CA 1.224 57.695 56.400 0.118 0.000 0.815 326 E CB -0.583 29.155 29.700 0.063 0.000 0.755 326 E HN 0.543 nan 8.360 nan 0.000 0.451 327 Q N 0.314 120.076 119.800 -0.063 0.000 2.135 327 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 327 Q C 2.460 178.394 176.000 -0.110 0.000 0.981 327 Q CA 1.223 56.861 55.803 -0.275 0.000 0.856 327 Q CB -0.133 28.185 28.738 -0.700 0.000 0.902 327 Q HN 0.224 nan 8.270 nan 0.000 0.425 328 L N -0.344 120.963 121.223 0.141 0.000 2.017 328 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 328 L C 2.314 179.288 176.870 0.173 0.000 1.073 328 L CA 1.324 56.327 54.840 0.272 0.000 0.745 328 L CB -0.571 41.658 42.059 0.284 0.000 0.894 328 L HN 0.326 nan 8.230 nan 0.000 0.432 329 F N 0.675 120.667 119.950 0.070 0.000 2.046 329 F HA -0.281 4.246 4.527 -0.000 0.000 0.297 329 F C 2.746 178.571 175.800 0.041 0.000 1.123 329 F CA 1.672 59.731 58.000 0.098 0.000 1.199 329 F CB -0.347 38.676 39.000 0.037 0.000 0.972 329 F HN 0.051 nan 8.300 nan 0.000 0.474 330 Q N 0.083 119.809 119.800 -0.124 0.000 2.061 330 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 330 Q C 2.259 178.105 176.000 -0.256 0.000 0.984 330 Q CA 2.434 58.078 55.803 -0.265 0.000 0.846 330 Q CB -1.420 27.247 28.738 -0.118 0.000 0.902 330 Q HN 0.444 nan 8.270 nan 0.000 0.421 331 T N 1.465 115.927 114.554 -0.154 0.000 2.746 331 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 331 T C 1.897 176.600 174.700 0.005 0.000 1.039 331 T CA 1.437 63.497 62.100 -0.067 0.000 1.142 331 T CB -0.272 68.644 68.868 0.080 0.000 0.866 331 T HN 0.431 nan 8.240 nan 0.000 0.444 332 A N 1.685 124.483 122.820 -0.037 0.000 1.902 332 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 332 A C 2.294 179.910 177.584 0.052 0.000 1.181 332 A CA 1.781 53.798 52.037 -0.033 0.000 0.623 332 A CB -0.598 18.211 19.000 -0.319 0.000 0.818 332 A HN 0.437 nan 8.150 nan 0.000 0.443 333 R N -0.232 120.191 120.500 -0.129 0.000 2.083 333 R HA -0.093 4.247 4.340 -0.000 0.000 0.237 333 R C 1.947 178.279 176.300 0.053 0.000 1.137 333 R CA 1.685 57.690 56.100 -0.158 0.000 0.951 333 R CB -0.449 29.405 30.300 -0.744 0.000 0.851 333 R HN 0.514 nan 8.270 nan 0.000 0.434 334 L N 0.324 121.563 121.223 0.027 0.000 2.046 334 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 334 L C 2.483 179.624 176.870 0.452 0.000 1.077 334 L CA 1.265 56.202 54.840 0.162 0.000 0.747 334 L CB -0.382 41.635 42.059 -0.071 0.000 0.896 334 L HN 0.293 nan 8.230 nan 0.000 0.432 335 I N -0.600 120.236 120.570 0.444 0.000 2.179 335 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 335 I C 2.366 178.715 176.117 0.388 0.000 1.088 335 I CA 1.200 62.780 61.300 0.468 0.000 1.357 335 I CB -0.155 38.047 38.000 0.337 0.000 1.051 335 I HN 0.182 nan 8.210 nan 0.000 0.409 336 L N 0.256 121.702 121.223 0.371 0.000 2.131 336 L HA -0.192 4.147 4.340 -0.000 0.000 0.210 336 L C 2.282 179.342 176.870 0.316 0.000 1.092 336 L CA 1.739 56.830 54.840 0.419 0.000 0.759 336 L CB -0.551 41.778 42.059 0.451 0.000 0.903 336 L HN 0.180 nan 8.230 nan 0.000 0.435 337 I N -1.086 119.664 120.570 0.300 0.000 2.179 337 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 337 I C 2.482 178.787 176.117 0.313 0.000 1.088 337 I CA 1.442 62.902 61.300 0.266 0.000 1.357 337 I CB -0.892 37.275 38.000 0.280 0.000 1.051 337 I HN 0.354 nan 8.210 nan 0.000 0.409 338 G N 0.295 109.349 108.800 0.424 0.000 2.421 338 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 338 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 338 G C 1.491 176.607 174.900 0.360 0.000 1.171 338 G CA 0.602 45.978 45.100 0.460 0.000 0.775 338 G HN 0.404 nan 8.290 nan 0.000 0.543 339 E N -0.118 120.300 120.200 0.363 0.000 2.085 339 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 339 E C 2.768 179.610 176.600 0.403 0.000 0.994 339 E CA 1.527 58.155 56.400 0.380 0.000 0.801 339 E CB -0.262 29.711 29.700 0.455 0.000 0.743 339 E HN 0.367 nan 8.360 nan 0.000 0.453 340 T N 1.398 116.194 114.554 0.403 0.000 2.708 340 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 340 T C 2.004 176.791 174.700 0.146 0.000 1.037 340 T CA 0.944 63.250 62.100 0.344 0.000 1.146 340 T CB -0.179 68.778 68.868 0.147 0.000 0.865 340 T HN 0.127 nan 8.240 nan 0.000 0.435 341 I N 0.928 121.508 120.570 0.015 0.000 2.226 341 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 341 I C 2.584 178.441 176.117 -0.433 0.000 1.100 341 I CA 1.181 62.312 61.300 -0.283 0.000 1.374 341 I CB -0.353 37.316 38.000 -0.551 0.000 1.057 341 I HN 0.154 nan 8.210 nan 0.000 0.413 342 K N 2.017 122.262 120.400 -0.259 0.000 2.009 342 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 342 K C 1.855 178.517 176.600 0.103 0.000 1.049 342 K CA 1.883 58.213 56.287 0.071 0.000 0.929 342 K CB -0.471 32.226 32.500 0.328 0.000 0.714 342 K HN 0.277 nan 8.250 nan 0.000 0.440 343 I N 0.070 120.724 120.570 0.140 0.000 2.394 343 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 343 I C 2.016 178.191 176.117 0.095 0.000 1.136 343 I CA 0.698 62.090 61.300 0.153 0.000 1.425 343 I CB -0.109 38.036 38.000 0.243 0.000 1.079 343 I HN -0.014 nan 8.210 nan 0.000 0.425 344 V N 1.039 120.947 119.914 -0.010 0.000 2.379 344 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 344 V C 2.254 178.381 176.094 0.054 0.000 1.044 344 V CA 1.706 63.925 62.300 -0.136 0.000 1.036 344 V CB -0.210 31.366 31.823 -0.411 0.000 0.664 344 V HN 0.304 nan 8.190 nan 0.000 0.453 345 I N -0.294 120.294 120.570 0.031 0.000 2.193 345 I HA -0.178 3.992 4.170 -0.000 0.000 0.240 345 I C 2.436 178.628 176.117 0.125 0.000 1.084 345 I CA 1.568 62.923 61.300 0.091 0.000 1.365 345 I CB -0.270 37.778 38.000 0.080 0.000 1.064 345 I HN 0.319 nan 8.210 nan 0.000 0.410 346 E N 0.001 120.281 120.200 0.133 0.000 2.358 346 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 346 E C 1.535 178.215 176.600 0.133 0.000 1.010 346 E CA 0.674 57.150 56.400 0.128 0.000 0.856 346 E CB 0.289 30.069 29.700 0.133 0.000 0.795 346 E HN 0.537 nan 8.360 nan 0.000 0.504 347 E N -0.981 119.333 120.200 0.189 0.000 2.444 347 E HA -0.013 4.337 4.350 -0.000 0.000 0.203 347 E C 1.389 178.231 176.600 0.403 0.000 0.847 347 E CA -0.140 56.423 56.400 0.272 0.000 1.142 347 E CB -0.063 29.793 29.700 0.262 0.000 1.125 347 E HN 0.093 nan 8.360 nan 0.000 0.521 348 Y N 2.143 122.549 120.300 0.177 0.000 2.070 348 Y HA -0.242 4.308 4.550 -0.000 0.000 0.279 348 Y C 2.183 178.146 175.900 0.106 0.000 1.134 348 Y CA 1.666 59.740 58.100 -0.044 0.000 1.113 348 Y CB -0.239 38.054 38.460 -0.278 0.000 0.981 348 Y HN -0.200 nan 8.280 nan 0.000 0.487 349 V N 0.522 120.622 119.914 0.309 0.000 2.515 349 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 349 V C 2.264 178.341 176.094 -0.028 0.000 1.058 349 V CA 1.986 64.377 62.300 0.152 0.000 1.064 349 V CB -0.793 31.141 31.823 0.185 0.000 0.675 349 V HN 0.409 nan 8.190 nan 0.000 0.461 350 Q N 0.533 120.341 119.800 0.013 0.000 2.030 350 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 350 Q C 2.244 178.187 176.000 -0.095 0.000 0.986 350 Q CA 2.456 58.233 55.803 -0.042 0.000 0.843 350 Q CB -0.457 28.301 28.738 0.033 0.000 0.904 350 Q HN 0.659 nan 8.270 nan 0.000 0.420 351 Q N -0.230 119.532 119.800 -0.063 0.000 2.096 351 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 351 Q C 1.924 177.716 176.000 -0.347 0.000 0.982 351 Q CA 1.757 57.466 55.803 -0.158 0.000 0.850 351 Q CB -0.472 28.177 28.738 -0.148 0.000 0.901 351 Q HN 0.558 nan 8.270 nan 0.000 0.422 352 L N 0.072 121.053 121.223 -0.403 0.000 1.994 352 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 352 L C 2.609 179.282 176.870 -0.327 0.000 1.071 352 L CA 1.625 56.203 54.840 -0.438 0.000 0.745 352 L CB -0.726 41.196 42.059 -0.227 0.000 0.892 352 L HN 0.457 nan 8.230 nan 0.000 0.431 353 S N -0.526 114.984 115.700 -0.318 0.000 2.370 353 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 353 S C 1.731 176.158 174.600 -0.289 0.000 1.033 353 S CA 1.156 59.055 58.200 -0.501 0.000 1.011 353 S CB -0.630 61.872 63.200 -1.164 0.000 0.852 353 S HN 0.630 nan 8.310 nan 0.000 0.457 354 G N -0.106 108.550 108.800 -0.239 0.000 2.179 354 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 354 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 354 G C 0.127 174.915 174.900 -0.187 0.000 0.977 354 G CA 0.324 45.321 45.100 -0.172 0.000 0.641 354 G HN 0.687 nan 8.290 nan 0.000 0.533 355 Y N -0.790 119.297 120.300 -0.354 0.000 2.683 355 Y HA 0.246 4.796 4.550 -0.000 0.000 0.340 355 Y C 1.548 177.189 175.900 -0.432 0.000 1.245 355 Y CA -0.648 57.154 58.100 -0.496 0.000 1.485 355 Y CB 0.225 38.456 38.460 -0.382 0.000 1.328 355 Y HN 0.006 nan 8.280 nan 0.000 0.603 356 F N 1.156 120.776 119.950 -0.549 0.000 2.664 356 F HA 0.040 4.567 4.527 -0.000 0.000 0.296 356 F C 0.630 176.058 175.800 -0.619 0.000 1.125 356 F CA -0.329 57.334 58.000 -0.562 0.000 1.444 356 F CB -0.357 38.261 39.000 -0.637 0.000 1.114 356 F HN 0.274 nan 8.300 nan 0.000 0.576 357 L N 1.410 122.191 121.223 -0.738 0.000 2.410 357 L HA 0.201 4.541 4.340 -0.000 0.000 0.273 357 L C 0.302 177.092 176.870 -0.134 0.000 1.152 357 L CA -0.294 54.243 54.840 -0.506 0.000 0.855 357 L CB 0.392 42.065 42.059 -0.643 0.000 1.129 357 L HN -0.006 nan 8.230 nan 0.000 0.463 358 Q N 4.724 124.507 119.800 -0.029 0.000 2.369 358 Q HA 0.329 4.669 4.340 -0.000 0.000 0.247 358 Q C -0.832 175.182 176.000 0.023 0.000 1.083 358 Q CA 0.204 56.012 55.803 0.009 0.000 0.905 358 Q CB -0.112 28.639 28.738 0.022 0.000 1.305 358 Q HN 0.754 nan 8.270 nan 0.000 0.465 359 L N 2.893 124.136 121.223 0.033 0.000 2.516 359 L HA 0.103 4.443 4.340 -0.000 0.000 0.288 359 L C 0.478 177.389 176.870 0.067 0.000 1.246 359 L CA 0.515 55.388 54.840 0.055 0.000 0.844 359 L CB 0.241 42.336 42.059 0.059 0.000 1.106 359 L HN 0.535 nan 8.230 nan 0.000 0.509 360 K N 1.987 122.434 120.400 0.078 0.000 2.513 360 K HA 0.320 4.640 4.320 -0.000 0.000 0.251 360 K C -1.561 175.120 176.600 0.134 0.000 0.939 360 K CA -0.702 55.636 56.287 0.085 0.000 0.793 360 K CB 1.578 34.097 32.500 0.032 0.000 1.241 360 K HN 0.296 nan 8.250 nan 0.000 0.431 361 F N 4.672 124.620 119.950 -0.002 0.000 2.350 361 F HA 0.408 4.935 4.527 -0.000 0.000 0.365 361 F C -1.083 174.675 175.800 -0.070 0.000 1.122 361 F CA -0.739 57.245 58.000 -0.027 0.000 1.139 361 F CB 0.725 39.736 39.000 0.019 0.000 1.220 361 F HN 0.557 nan 8.300 nan 0.000 0.499 362 D N 8.214 128.287 120.400 -0.545 0.000 2.354 362 D HA 0.309 4.949 4.640 -0.000 0.000 0.230 362 D C -2.440 173.439 176.300 -0.701 0.000 1.361 362 D CA -1.776 51.812 54.000 -0.685 0.000 0.992 362 D CB 2.001 42.600 40.800 -0.334 0.000 1.409 362 D HN 0.178 nan 8.370 nan 0.000 0.573 363 P HA -0.113 nan 4.420 nan 0.000 0.218 363 P C 0.894 177.585 177.300 -1.016 0.000 1.146 363 P CA 0.962 63.542 63.100 -0.866 0.000 0.813 363 P CB 0.380 31.337 31.700 -1.238 0.000 0.778 364 E N -0.433 119.097 120.200 -1.116 0.000 2.153 364 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 364 E C 1.861 178.058 176.600 -0.671 0.000 0.988 364 E CA 0.736 56.349 56.400 -1.311 0.000 0.811 364 E CB -0.632 28.706 29.700 -0.603 0.000 0.746 364 E HN 0.309 nan 8.360 nan 0.000 0.466 365 L N 0.489 121.460 121.223 -0.419 0.000 2.263 365 L HA -0.199 4.141 4.340 -0.000 0.000 0.216 365 L C 2.026 178.801 176.870 -0.159 0.000 1.111 365 L CA 0.873 55.582 54.840 -0.217 0.000 0.773 365 L CB -0.227 41.730 42.059 -0.170 0.000 0.906 365 L HN 0.195 nan 8.230 nan 0.000 0.439 366 L N -2.467 118.644 121.223 -0.187 0.000 2.693 366 L HA 0.076 4.416 4.340 -0.000 0.000 0.235 366 L C 1.950 178.967 176.870 0.245 0.000 1.127 366 L CA -0.121 54.693 54.840 -0.043 0.000 0.914 366 L CB -0.100 41.838 42.059 -0.201 0.000 1.193 366 L HN 0.165 nan 8.230 nan 0.000 0.502 367 F N 0.638 120.619 119.950 0.052 0.000 2.333 367 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 367 F C 2.124 177.974 175.800 0.085 0.000 1.083 367 F CA 0.630 58.688 58.000 0.097 0.000 1.395 367 F CB -0.026 39.027 39.000 0.088 0.000 1.056 367 F HN 0.227 nan 8.300 nan 0.000 0.529 368 G N -0.398 108.547 108.800 0.242 0.000 3.189 368 G HA2 0.410 4.370 3.960 -0.000 0.000 0.225 368 G HA3 0.410 4.370 3.960 -0.000 0.000 0.225 368 G C 0.202 175.172 174.900 0.117 0.000 1.159 368 G CA 0.340 45.531 45.100 0.152 0.000 0.763 368 G HN 0.262 nan 8.290 nan 0.000 0.549 369 A N -0.324 122.575 122.820 0.132 0.000 2.288 369 A HA 0.748 5.068 4.320 -0.000 0.000 0.328 369 A C -0.256 177.408 177.584 0.135 0.000 1.123 369 A CA -0.644 51.456 52.037 0.106 0.000 0.861 369 A CB 0.923 19.966 19.000 0.072 0.000 1.272 369 A HN 0.232 nan 8.150 nan 0.000 0.490 370 Q N 0.104 119.973 119.800 0.114 0.000 2.349 370 Q HA 0.537 4.877 4.340 -0.000 0.000 0.254 370 Q C -1.773 174.320 176.000 0.156 0.000 0.980 370 Q CA 0.298 56.164 55.803 0.104 0.000 0.924 370 Q CB 1.101 29.872 28.738 0.055 0.000 1.209 370 Q HN 0.504 nan 8.270 nan 0.000 0.445 371 F N 1.578 121.467 119.950 -0.101 0.000 2.622 371 F HA 0.197 4.724 4.527 -0.000 0.000 0.318 371 F C -1.389 174.205 175.800 -0.343 0.000 1.135 371 F CA -0.810 57.054 58.000 -0.228 0.000 1.015 371 F CB 1.717 40.537 39.000 -0.300 0.000 1.275 371 F HN 0.279 nan 8.300 nan 0.000 0.457 372 Q N 5.342 124.666 119.800 -0.793 0.000 2.274 372 Q HA 0.184 4.524 4.340 -0.000 0.000 0.256 372 Q C -1.167 174.424 176.000 -0.681 0.000 0.927 372 Q CA -0.202 55.283 55.803 -0.530 0.000 0.939 372 Q CB 1.140 29.668 28.738 -0.350 0.000 1.201 372 Q HN 0.712 nan 8.270 nan 0.000 0.426 373 Y N 2.951 123.193 120.300 -0.097 0.000 2.830 373 Y HA 0.141 4.691 4.550 -0.000 0.000 0.371 373 Y C 0.746 176.619 175.900 -0.046 0.000 1.246 373 Y CA -0.357 57.746 58.100 0.006 0.000 1.890 373 Y CB 0.092 38.597 38.460 0.075 0.000 1.995 373 Y HN 0.360 nan 8.280 nan 0.000 0.430 374 R N 0.165 120.644 120.500 -0.035 0.000 2.739 374 R HA 0.562 4.902 4.340 -0.000 0.000 0.271 374 R C -1.850 174.409 176.300 -0.068 0.000 1.010 374 R CA -0.965 55.118 56.100 -0.029 0.000 0.897 374 R CB 2.005 32.281 30.300 -0.040 0.000 1.236 374 R HN 0.264 nan 8.270 nan 0.000 0.466 375 N N 1.028 119.698 118.700 -0.049 0.000 2.405 375 N HA 0.344 5.084 4.740 -0.000 0.000 0.274 375 N C -1.762 173.710 175.510 -0.064 0.000 1.170 375 N CA -0.677 52.343 53.050 -0.049 0.000 0.848 375 N CB 2.704 41.182 38.487 -0.014 0.000 1.629 375 N HN 0.627 nan 8.380 nan 0.000 0.481 376 R N 3.207 123.669 120.500 -0.064 0.000 2.514 376 R HA 0.433 4.773 4.340 -0.000 0.000 0.296 376 R C -0.610 175.758 176.300 0.113 0.000 1.012 376 R CA -0.550 55.476 56.100 -0.123 0.000 0.897 376 R CB 0.583 30.732 30.300 -0.251 0.000 1.184 376 R HN 0.463 nan 8.270 nan 0.000 0.440 377 I N 3.472 124.292 120.570 0.418 0.000 2.618 377 I HA 0.181 4.351 4.170 -0.000 0.000 0.284 377 I C 0.643 176.980 176.117 0.366 0.000 1.146 377 I CA 0.154 61.698 61.300 0.408 0.000 1.425 377 I CB 0.438 38.723 38.000 0.474 0.000 1.383 377 I HN 0.710 nan 8.210 nan 0.000 0.562 378 A N 7.225 130.151 122.820 0.177 0.000 2.303 378 A HA 0.495 4.815 4.320 -0.000 0.000 0.317 378 A C 1.189 178.670 177.584 -0.172 0.000 1.149 378 A CA -0.716 51.333 52.037 0.020 0.000 0.822 378 A CB 0.915 19.867 19.000 -0.079 0.000 1.131 378 A HN 0.836 nan 8.150 nan 0.000 0.493 379 M N 0.415 119.888 119.600 -0.211 0.000 2.213 379 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 379 M C 0.992 177.077 176.300 -0.358 0.000 1.062 379 M CA 2.239 57.296 55.300 -0.405 0.000 1.105 379 M CB -0.803 31.660 32.600 -0.227 0.000 1.385 379 M HN 0.723 nan 8.290 nan 0.000 0.417 380 E N 1.035 121.051 120.200 -0.306 0.000 2.110 380 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 380 E C 1.740 178.239 176.600 -0.168 0.000 0.988 380 E CA 1.390 57.562 56.400 -0.381 0.000 0.804 380 E CB -0.498 28.934 29.700 -0.448 0.000 0.745 380 E HN 0.531 nan 8.360 nan 0.000 0.458 381 F N 2.059 121.604 119.950 -0.676 0.000 2.171 381 F HA -0.166 4.360 4.527 -0.000 0.000 0.300 381 F C 1.883 177.528 175.800 -0.258 0.000 1.090 381 F CA 1.250 58.874 58.000 -0.627 0.000 1.293 381 F CB -0.471 37.979 39.000 -0.916 0.000 1.013 381 F HN 0.019 nan 8.300 nan 0.000 0.486 382 N N 0.436 118.832 118.700 -0.507 0.000 2.058 382 N HA -0.196 4.544 4.740 -0.000 0.000 0.191 382 N C 1.818 177.005 175.510 -0.538 0.000 1.037 382 N CA 1.641 53.992 53.050 -1.165 0.000 0.848 382 N CB -0.321 37.580 38.487 -0.977 0.000 1.021 382 N HN 0.426 nan 8.380 nan 0.000 0.422 383 Q N 0.885 120.524 119.800 -0.268 0.000 2.002 383 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 383 Q C 2.360 178.409 176.000 0.081 0.000 0.988 383 Q CA 1.197 56.899 55.803 -0.168 0.000 0.843 383 Q CB -0.717 28.022 28.738 0.002 0.000 0.908 383 Q HN 0.462 nan 8.270 nan 0.000 0.420 384 L N -0.323 121.050 121.223 0.251 0.000 2.089 384 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 384 L C 1.918 178.910 176.870 0.203 0.000 1.079 384 L CA 1.529 56.537 54.840 0.281 0.000 0.758 384 L CB -0.315 41.940 42.059 0.327 0.000 0.891 384 L HN 0.197 nan 8.230 nan 0.000 0.433 385 Y N -0.976 119.239 120.300 -0.142 0.000 2.519 385 Y HA -0.045 4.505 4.550 -0.000 0.000 0.311 385 Y C 0.211 175.833 175.900 -0.464 0.000 1.207 385 Y CA -0.409 57.338 58.100 -0.589 0.000 1.289 385 Y CB -0.086 38.007 38.460 -0.610 0.000 1.059 385 Y HN 0.269 nan 8.280 nan 0.000 0.507 386 H N -0.565 118.528 119.070 0.038 0.000 3.092 386 H HA -0.013 4.543 4.556 -0.000 0.000 0.263 386 H C -0.640 175.037 175.328 0.581 0.000 1.611 386 H CA -0.300 55.887 56.048 0.232 0.000 1.457 386 H CB -0.523 29.292 29.762 0.088 0.000 1.731 386 H HN 0.251 nan 8.280 nan 0.000 0.532 387 W N 2.043 123.468 121.300 0.209 0.000 2.676 387 W HA 0.123 4.783 4.660 -0.000 0.000 0.430 387 W C 0.383 176.936 176.519 0.057 0.000 0.690 387 W CA -0.838 56.623 57.345 0.193 0.000 2.297 387 W CB -1.028 28.573 29.460 0.236 0.000 1.361 387 W HN 0.742 nan 8.180 nan 0.000 0.800 388 H N 0.155 119.463 119.070 0.396 0.000 2.489 388 H HA -0.105 4.451 4.556 -0.000 0.000 0.295 388 H C -0.613 174.851 175.328 0.228 0.000 1.082 388 H CA 1.314 57.528 56.048 0.278 0.000 1.295 388 H CB -1.320 28.582 29.762 0.234 0.000 1.380 388 H HN 0.063 nan 8.280 nan 0.000 0.548 389 P HA -0.118 nan 4.420 nan 0.000 0.225 389 P C 1.103 178.486 177.300 0.138 0.000 1.148 389 P CA 0.941 64.141 63.100 0.165 0.000 0.779 389 P CB 0.031 31.780 31.700 0.082 0.000 0.780 390 L N -2.429 118.881 121.223 0.145 0.000 2.083 390 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 390 L C 1.241 178.184 176.870 0.122 0.000 1.083 390 L CA 0.725 55.633 54.840 0.114 0.000 0.752 390 L CB -0.766 41.371 42.059 0.130 0.000 0.899 390 L HN 0.067 nan 8.230 nan 0.000 0.433 391 M N 1.042 120.731 119.600 0.150 0.000 2.248 391 M HA 0.106 4.586 4.480 -0.000 0.000 0.345 391 M C -1.895 174.490 176.300 0.143 0.000 1.243 391 M CA -2.015 53.379 55.300 0.157 0.000 1.090 391 M CB -0.520 32.286 32.600 0.343 0.000 1.683 391 M HN -0.134 nan 8.290 nan 0.000 0.450 392 P HA 0.195 nan 4.420 nan 0.000 0.293 392 P C -0.181 176.986 177.300 -0.221 0.000 1.304 392 P CA -0.222 62.699 63.100 -0.299 0.000 0.767 392 P CB 0.875 32.208 31.700 -0.613 0.000 1.247 393 D N -1.450 118.769 120.400 -0.301 0.000 2.183 393 D HA -0.011 4.629 4.640 -0.000 0.000 0.203 393 D C 0.921 177.158 176.300 -0.106 0.000 0.969 393 D CA 1.373 55.332 54.000 -0.068 0.000 0.842 393 D CB -0.005 40.740 40.800 -0.093 0.000 0.957 393 D HN 0.491 nan 8.370 nan 0.000 0.484 394 S N -1.342 114.073 115.700 -0.475 0.000 2.643 394 S HA 0.588 5.058 4.470 -0.000 0.000 0.270 394 S C -1.433 172.601 174.600 -0.942 0.000 1.166 394 S CA -1.028 56.836 58.200 -0.561 0.000 0.815 394 S CB 0.834 63.927 63.200 -0.178 0.000 1.139 394 S HN -0.102 nan 8.310 nan 0.000 0.472 395 F N 0.962 120.746 119.950 -0.276 0.000 2.382 395 F HA 0.575 5.102 4.527 -0.000 0.000 0.361 395 F C 0.592 176.341 175.800 -0.085 0.000 1.109 395 F CA -0.667 57.172 58.000 -0.268 0.000 1.031 395 F CB 1.356 39.959 39.000 -0.662 0.000 1.234 395 F HN 0.578 nan 8.300 nan 0.000 0.445 396 R N 2.690 123.203 120.500 0.021 0.000 2.248 396 R HA 0.608 4.948 4.340 -0.000 0.000 0.328 396 R C -1.450 174.858 176.300 0.013 0.000 1.067 396 R CA -0.215 55.883 56.100 -0.003 0.000 0.924 396 R CB 0.662 30.929 30.300 -0.054 0.000 1.013 396 R HN 0.525 nan 8.270 nan 0.000 0.454 397 V N 5.941 125.846 119.914 -0.014 0.000 2.349 397 V HA 0.441 4.561 4.120 -0.000 0.000 0.284 397 V C 0.919 176.965 176.094 -0.080 0.000 1.014 397 V CA 0.124 62.344 62.300 -0.134 0.000 0.826 397 V CB 0.684 32.322 31.823 -0.309 0.000 1.009 397 V HN 1.160 nan 8.190 nan 0.000 0.431 398 G N 7.441 116.206 108.800 -0.058 0.000 2.574 398 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.286 398 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.286 398 G C -0.888 174.002 174.900 -0.015 0.000 1.212 398 G CA 0.386 45.482 45.100 -0.006 0.000 0.979 398 G HN 0.582 nan 8.290 nan 0.000 0.557 399 P HA 0.091 nan 4.420 nan 0.000 0.227 399 P C 0.634 177.897 177.300 -0.062 0.000 1.161 399 P CA 0.797 63.882 63.100 -0.025 0.000 0.788 399 P CB 0.153 31.848 31.700 -0.008 0.000 0.822 400 Q N 1.198 120.950 119.800 -0.080 0.000 2.352 400 Q HA 0.159 4.499 4.340 -0.000 0.000 0.260 400 Q C -0.643 175.174 176.000 -0.304 0.000 0.976 400 Q CA 0.748 56.412 55.803 -0.231 0.000 0.881 400 Q CB 0.490 29.039 28.738 -0.315 0.000 1.235 400 Q HN 0.044 nan 8.270 nan 0.000 0.419 401 D N 1.697 121.877 120.400 -0.367 0.000 2.471 401 D HA 0.267 4.907 4.640 -0.000 0.000 0.245 401 D C -1.459 174.672 176.300 -0.282 0.000 1.116 401 D CA -0.310 53.545 54.000 -0.240 0.000 0.853 401 D CB 0.437 41.157 40.800 -0.134 0.000 1.123 401 D HN 0.224 nan 8.370 nan 0.000 0.540 402 Y N 1.478 121.814 120.300 0.061 0.000 2.323 402 Y HA 0.335 4.885 4.550 -0.000 0.000 0.331 402 Y C 1.159 177.143 175.900 0.141 0.000 1.092 402 Y CA -0.792 57.380 58.100 0.119 0.000 1.150 402 Y CB 1.450 40.005 38.460 0.158 0.000 1.200 402 Y HN 0.300 nan 8.280 nan 0.000 0.472 403 S N 1.100 116.996 115.700 0.327 0.000 2.681 403 S HA 0.175 4.645 4.470 -0.000 0.000 0.270 403 S C 0.652 175.447 174.600 0.325 0.000 1.209 403 S CA -0.493 57.875 58.200 0.280 0.000 0.988 403 S CB 0.391 63.747 63.200 0.260 0.000 1.006 403 S HN 0.665 nan 8.310 nan 0.000 0.558 404 Y N 1.400 121.777 120.300 0.129 0.000 2.224 404 Y HA -0.106 4.444 4.550 -0.000 0.000 0.289 404 Y C 2.717 178.716 175.900 0.166 0.000 1.146 404 Y CA 1.845 60.008 58.100 0.105 0.000 1.182 404 Y CB -0.182 37.980 38.460 -0.496 0.000 0.983 404 Y HN 0.721 nan 8.280 nan 0.000 0.524 405 E N -0.006 120.380 120.200 0.310 0.000 2.338 405 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 405 E C 1.370 178.120 176.600 0.251 0.000 1.007 405 E CA 1.017 57.584 56.400 0.279 0.000 0.849 405 E CB -0.434 29.419 29.700 0.255 0.000 0.774 405 E HN 0.636 nan 8.360 nan 0.000 0.506 406 Q N -1.015 118.950 119.800 0.274 0.000 2.402 406 Q HA 0.109 4.449 4.340 -0.000 0.000 0.206 406 Q C 1.212 177.340 176.000 0.213 0.000 0.919 406 Q CA 0.217 56.174 55.803 0.257 0.000 0.923 406 Q CB 0.152 29.110 28.738 0.368 0.000 1.048 406 Q HN 0.172 nan 8.270 nan 0.000 0.515 407 F N 0.229 120.178 119.950 -0.002 0.000 2.315 407 F HA 0.015 4.542 4.527 -0.000 0.000 0.284 407 F C 1.537 177.234 175.800 -0.172 0.000 1.049 407 F CA 0.157 58.038 58.000 -0.199 0.000 1.323 407 F CB -0.144 38.568 39.000 -0.478 0.000 1.113 407 F HN -0.096 nan 8.300 nan 0.000 0.544 408 L N -0.004 121.222 121.223 0.005 0.000 2.026 408 L HA -0.295 4.045 4.340 -0.000 0.000 0.231 408 L C 1.564 178.278 176.870 -0.259 0.000 1.095 408 L CA 2.228 57.019 54.840 -0.082 0.000 0.810 408 L CB -1.240 40.986 42.059 0.278 0.000 0.909 408 L HN 0.123 nan 8.230 nan 0.000 0.444 409 F N -1.450 118.470 119.950 -0.050 0.000 2.708 409 F HA 0.257 4.784 4.527 -0.000 0.000 0.300 409 F C 0.860 176.640 175.800 -0.032 0.000 1.118 409 F CA -1.031 56.959 58.000 -0.017 0.000 1.307 409 F CB -0.644 38.395 39.000 0.065 0.000 0.986 409 F HN 0.018 nan 8.300 nan 0.000 0.522 410 N N 1.446 120.142 118.700 -0.006 0.000 2.417 410 N HA -0.076 4.664 4.740 -0.000 0.000 0.272 410 N C 1.197 176.667 175.510 -0.067 0.000 1.304 410 N CA 0.660 53.682 53.050 -0.047 0.000 0.906 410 N CB 0.853 39.258 38.487 -0.136 0.000 1.135 410 N HN 0.290 nan 8.380 nan 0.000 0.483 411 T N -0.928 113.614 114.554 -0.020 0.000 3.107 411 T HA 0.012 4.362 4.350 -0.000 0.000 0.249 411 T C 1.377 176.023 174.700 -0.089 0.000 1.096 411 T CA 0.490 62.566 62.100 -0.041 0.000 1.012 411 T CB -0.083 68.746 68.868 -0.064 0.000 0.977 411 T HN 0.400 nan 8.240 nan 0.000 0.527 412 S N -0.330 115.317 115.700 -0.089 0.000 2.559 412 S HA 0.276 4.746 4.470 -0.000 0.000 0.226 412 S C 1.771 176.312 174.600 -0.099 0.000 1.030 412 S CA -0.228 57.911 58.200 -0.102 0.000 0.956 412 S CB -0.233 62.919 63.200 -0.080 0.000 0.900 412 S HN 0.339 nan 8.310 nan 0.000 0.510 413 M N 1.293 120.839 119.600 -0.090 0.000 2.065 413 M HA -0.058 4.422 4.480 -0.000 0.000 0.259 413 M C 2.089 178.405 176.300 0.027 0.000 1.071 413 M CA 1.957 57.241 55.300 -0.027 0.000 1.109 413 M CB -0.408 32.135 32.600 -0.095 0.000 1.313 413 M HN 0.459 nan 8.290 nan 0.000 0.408 414 L N 0.293 121.483 121.223 -0.055 0.000 2.021 414 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 414 L C 2.046 178.870 176.870 -0.078 0.000 1.074 414 L CA 1.978 56.791 54.840 -0.045 0.000 0.760 414 L CB -0.927 41.079 42.059 -0.089 0.000 0.889 414 L HN 0.273 nan 8.230 nan 0.000 0.433 415 V N -0.285 119.486 119.914 -0.238 0.000 2.453 415 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 415 V C 2.264 178.273 176.094 -0.142 0.000 1.048 415 V CA 1.638 63.731 62.300 -0.345 0.000 1.049 415 V CB -0.892 30.662 31.823 -0.449 0.000 0.672 415 V HN 0.449 nan 8.190 nan 0.000 0.457 416 D N -0.469 119.858 120.400 -0.122 0.000 2.097 416 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 416 D C 1.993 178.158 176.300 -0.225 0.000 0.989 416 D CA 1.812 55.700 54.000 -0.186 0.000 0.827 416 D CB -0.187 40.462 40.800 -0.252 0.000 0.966 416 D HN 0.574 nan 8.370 nan 0.000 0.456 417 Y N 0.105 120.385 120.300 -0.034 0.000 2.476 417 Y HA 0.278 4.828 4.550 -0.000 0.000 0.283 417 Y C 1.648 177.547 175.900 -0.001 0.000 1.109 417 Y CA 0.521 58.610 58.100 -0.018 0.000 1.246 417 Y CB 0.357 38.794 38.460 -0.038 0.000 1.068 417 Y HN 0.010 nan 8.280 nan 0.000 0.552 418 G N -0.081 108.823 108.800 0.173 0.000 2.795 418 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.664 418 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.664 418 G C 0.519 175.488 174.900 0.115 0.000 1.381 418 G CA -0.405 44.807 45.100 0.187 0.000 0.853 418 G HN 0.012 nan 8.290 nan 0.000 0.545 419 V N 0.618 120.578 119.914 0.076 0.000 2.261 419 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 419 V C 2.743 178.808 176.094 -0.049 0.000 1.047 419 V CA 3.137 65.429 62.300 -0.013 0.000 1.015 419 V CB -0.929 30.855 31.823 -0.065 0.000 0.642 419 V HN 0.831 nan 8.190 nan 0.000 0.446 420 E N 0.899 121.078 120.200 -0.035 0.000 2.065 420 E HA -0.252 4.098 4.350 -0.000 0.000 0.201 420 E C 2.246 178.823 176.600 -0.039 0.000 1.016 420 E CA 1.825 58.203 56.400 -0.037 0.000 0.818 420 E CB -0.754 28.935 29.700 -0.018 0.000 0.749 420 E HN 0.583 nan 8.360 nan 0.000 0.453 421 A N 0.643 123.455 122.820 -0.013 0.000 1.865 421 A HA -0.186 4.133 4.320 -0.000 0.000 0.217 421 A C 2.277 179.756 177.584 -0.174 0.000 1.191 421 A CA 1.497 53.519 52.037 -0.024 0.000 0.623 421 A CB -0.792 18.276 19.000 0.112 0.000 0.826 421 A HN 0.199 nan 8.150 nan 0.000 0.444 422 L N -0.660 120.418 121.223 -0.242 0.000 2.056 422 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 422 L C 2.560 179.113 176.870 -0.529 0.000 1.078 422 L CA 1.020 55.517 54.840 -0.571 0.000 0.749 422 L CB -0.617 41.175 42.059 -0.446 0.000 0.901 422 L HN 0.249 nan 8.230 nan 0.000 0.433 423 V N 0.243 120.035 119.914 -0.203 0.000 2.332 423 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 423 V C 2.149 178.237 176.094 -0.010 0.000 1.055 423 V CA 2.321 64.587 62.300 -0.057 0.000 1.038 423 V CB -0.488 31.293 31.823 -0.071 0.000 0.651 423 V HN 0.504 nan 8.190 nan 0.000 0.450 424 D N -0.338 120.038 120.400 -0.039 0.000 2.117 424 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 424 D C 2.125 178.445 176.300 0.035 0.000 0.987 424 D CA 1.396 55.422 54.000 0.043 0.000 0.829 424 D CB -0.145 40.669 40.800 0.024 0.000 0.961 424 D HN 0.394 nan 8.370 nan 0.000 0.460 425 A N -0.243 122.504 122.820 -0.121 0.000 1.858 425 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 425 A C 1.931 179.546 177.584 0.051 0.000 1.190 425 A CA 1.170 53.126 52.037 -0.137 0.000 0.617 425 A CB -1.098 17.680 19.000 -0.370 0.000 0.827 425 A HN 0.306 nan 8.150 nan 0.000 0.443 426 F N 0.983 121.024 119.950 0.151 0.000 2.216 426 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 426 F C 2.687 178.624 175.800 0.228 0.000 1.085 426 F CA 0.980 59.118 58.000 0.232 0.000 1.326 426 F CB -1.065 38.144 39.000 0.350 0.000 1.027 426 F HN 0.123 nan 8.300 nan 0.000 0.497 427 S N -0.483 115.444 115.700 0.379 0.000 2.453 427 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 427 S C 1.987 176.825 174.600 0.395 0.000 1.005 427 S CA 0.691 59.113 58.200 0.369 0.000 0.949 427 S CB -0.137 63.237 63.200 0.291 0.000 0.774 427 S HN 0.365 nan 8.310 nan 0.000 0.510 428 R N 0.568 121.236 120.500 0.279 0.000 2.189 428 R HA 0.186 4.526 4.340 -0.000 0.000 0.203 428 R C 1.055 177.427 176.300 0.120 0.000 1.012 428 R CA 0.163 56.358 56.100 0.158 0.000 1.015 428 R CB 0.154 30.493 30.300 0.065 0.000 0.938 428 R HN 0.337 nan 8.270 nan 0.000 0.472 429 Q N 2.502 122.390 119.800 0.147 0.000 2.288 429 Q HA 0.167 4.507 4.340 -0.000 0.000 0.258 429 Q C -2.275 173.780 176.000 0.092 0.000 0.957 429 Q CA -2.346 53.511 55.803 0.090 0.000 0.919 429 Q CB 1.116 29.904 28.738 0.085 0.000 1.185 429 Q HN -0.064 nan 8.270 nan 0.000 0.408 430 P HA 0.064 nan 4.420 nan 0.000 0.271 430 P C -1.307 176.086 177.300 0.155 0.000 1.216 430 P CA 0.003 63.163 63.100 0.100 0.000 0.776 430 P CB 1.126 32.900 31.700 0.123 0.000 0.881 431 A N 3.249 126.145 122.820 0.127 0.000 2.264 431 A HA 0.684 5.004 4.320 -0.000 0.000 0.304 431 A C 0.712 178.402 177.584 0.175 0.000 1.100 431 A CA -0.314 51.810 52.037 0.145 0.000 0.839 431 A CB 0.123 19.164 19.000 0.069 0.000 1.121 431 A HN 0.573 nan 8.150 nan 0.000 0.496 432 G N -0.553 108.353 108.800 0.177 0.000 2.572 432 G HA2 0.463 4.423 3.960 -0.000 0.000 0.261 432 G HA3 0.463 4.423 3.960 -0.000 0.000 0.261 432 G C 0.181 174.972 174.900 -0.183 0.000 1.197 432 G CA -0.594 44.448 45.100 -0.097 0.000 0.870 432 G HN 0.912 nan 8.290 nan 0.000 0.548 433 R N 0.720 121.052 120.500 -0.280 0.000 2.491 433 R HA 0.224 4.564 4.340 -0.000 0.000 0.283 433 R C 1.087 177.267 176.300 -0.201 0.000 1.072 433 R CA -0.379 55.566 56.100 -0.258 0.000 1.048 433 R CB 0.353 30.501 30.300 -0.253 0.000 0.983 433 R HN 0.508 nan 8.270 nan 0.000 0.450 434 I N 2.411 122.839 120.570 -0.237 0.000 2.277 434 I HA 0.008 4.178 4.170 -0.000 0.000 0.243 434 I C 1.470 177.529 176.117 -0.098 0.000 1.094 434 I CA 1.107 62.307 61.300 -0.167 0.000 1.393 434 I CB -0.291 37.544 38.000 -0.275 0.000 1.078 434 I HN 0.749 nan 8.210 nan 0.000 0.417 435 G N -1.220 107.530 108.800 -0.083 0.000 2.537 435 G HA2 0.443 4.403 3.960 -0.000 0.000 0.297 435 G HA3 0.443 4.403 3.960 -0.000 0.000 0.297 435 G C 0.778 175.615 174.900 -0.105 0.000 1.310 435 G CA 0.182 45.234 45.100 -0.079 0.000 1.027 435 G HN 0.468 nan 8.290 nan 0.000 0.505 436 G N -2.244 106.491 108.800 -0.110 0.000 2.234 436 G HA2 0.341 4.301 3.960 -0.000 0.000 0.235 436 G HA3 0.341 4.301 3.960 -0.000 0.000 0.235 436 G C 1.291 176.140 174.900 -0.084 0.000 0.997 436 G CA 0.801 45.842 45.100 -0.098 0.000 0.623 436 G HN 2.825 nan 8.290 nan 0.000 0.514 437 G N -0.509 108.240 108.800 -0.085 0.000 2.781 437 G HA2 0.267 4.227 3.960 -0.000 0.000 0.683 437 G HA3 0.267 4.227 3.960 -0.000 0.000 0.683 437 G C 0.227 175.103 174.900 -0.039 0.000 1.390 437 G CA 0.358 45.427 45.100 -0.051 0.000 0.850 437 G HN 1.691 nan 8.290 nan 0.000 0.557 438 R N -0.884 119.606 120.500 -0.017 0.000 3.188 438 R HA -0.222 4.118 4.340 -0.000 0.000 0.247 438 R C 0.407 176.691 176.300 -0.027 0.000 0.918 438 R CA 1.082 57.167 56.100 -0.025 0.000 0.629 438 R CB -1.222 29.055 30.300 -0.038 0.000 1.087 438 R HN 0.805 nan 8.270 nan 0.000 0.462 439 N N 0.162 118.855 118.700 -0.012 0.000 2.286 439 N HA 0.243 4.983 4.740 -0.000 0.000 0.245 439 N C -0.950 174.592 175.510 0.054 0.000 1.363 439 N CA -0.188 52.858 53.050 -0.008 0.000 0.822 439 N CB 0.858 39.302 38.487 -0.071 0.000 1.345 439 N HN 0.282 nan 8.380 nan 0.000 0.494 440 I N 0.848 121.462 120.570 0.073 0.000 2.330 440 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 440 I C -0.003 176.173 176.117 0.098 0.000 1.001 440 I CA -0.945 60.424 61.300 0.116 0.000 1.193 440 I CB 1.242 39.317 38.000 0.126 0.000 1.345 440 I HN 0.113 nan 8.210 nan 0.000 0.461 441 D N 4.251 124.713 120.400 0.104 0.000 2.525 441 D HA -0.110 4.530 4.640 -0.000 0.000 0.235 441 D C 1.537 177.791 176.300 -0.077 0.000 1.137 441 D CA 0.376 54.383 54.000 0.011 0.000 0.868 441 D CB 0.718 41.504 40.800 -0.024 0.000 1.180 441 D HN 0.625 nan 8.370 nan 0.000 0.465 442 H N 2.289 121.342 119.070 -0.027 0.000 2.426 442 H HA -0.189 4.367 4.556 -0.000 0.000 0.298 442 H C 1.356 176.631 175.328 -0.089 0.000 1.107 442 H CA 1.748 57.751 56.048 -0.074 0.000 1.298 442 H CB -0.302 29.380 29.762 -0.132 0.000 1.377 442 H HN 0.552 nan 8.280 nan 0.000 0.519 443 H N 0.845 119.538 119.070 -0.630 0.000 2.387 443 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 443 H C 1.720 177.026 175.328 -0.036 0.000 1.099 443 H CA 1.828 57.647 56.048 -0.383 0.000 1.315 443 H CB 0.180 29.395 29.762 -0.912 0.000 1.380 443 H HN 0.686 nan 8.280 nan 0.000 0.513 444 I N -1.718 118.894 120.570 0.069 0.000 3.936 444 I HA 0.088 4.258 4.170 -0.000 0.000 0.330 444 I C 1.483 177.575 176.117 -0.042 0.000 1.509 444 I CA -0.068 61.290 61.300 0.096 0.000 1.126 444 I CB 0.100 38.194 38.000 0.156 0.000 1.115 444 I HN -0.085 nan 8.210 nan 0.000 0.424 445 L N 2.491 123.748 121.223 0.057 0.000 2.275 445 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 445 L C 2.767 179.646 176.870 0.015 0.000 1.119 445 L CA 1.916 56.779 54.840 0.038 0.000 0.790 445 L CB -0.865 41.240 42.059 0.076 0.000 0.919 445 L HN 0.526 nan 8.230 nan 0.000 0.443 446 H N -2.547 116.537 119.070 0.023 0.000 2.456 446 H HA -0.066 4.490 4.556 -0.000 0.000 0.296 446 H C 1.928 177.252 175.328 -0.007 0.000 1.079 446 H CA 1.578 57.638 56.048 0.019 0.000 1.322 446 H CB -0.932 28.850 29.762 0.033 0.000 1.388 446 H HN 0.301 nan 8.280 nan 0.000 0.538 447 V N 1.860 121.404 119.914 -0.616 0.000 2.307 447 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 447 V C 3.220 179.161 176.094 -0.255 0.000 1.045 447 V CA 1.660 63.671 62.300 -0.481 0.000 1.024 447 V CB -1.111 30.282 31.823 -0.716 0.000 0.651 447 V HN 0.651 nan 8.190 nan 0.000 0.449 448 A N -0.113 122.609 122.820 -0.162 0.000 1.877 448 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 448 A C 2.409 180.006 177.584 0.022 0.000 1.186 448 A CA 2.091 54.138 52.037 0.015 0.000 0.620 448 A CB -0.802 18.293 19.000 0.158 0.000 0.822 448 A HN 0.313 nan 8.150 nan 0.000 0.443 449 V N 0.829 120.760 119.914 0.028 0.000 2.282 449 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 449 V C 2.116 178.223 176.094 0.022 0.000 1.057 449 V CA 2.456 64.786 62.300 0.050 0.000 1.032 449 V CB -0.786 31.079 31.823 0.069 0.000 0.645 449 V HN 0.522 nan 8.190 nan 0.000 0.447 450 D N -0.459 119.936 120.400 -0.008 0.000 2.224 450 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 450 D C 2.101 178.349 176.300 -0.087 0.000 0.965 450 D CA 0.903 54.890 54.000 -0.022 0.000 0.852 450 D CB -0.006 40.795 40.800 0.000 0.000 0.947 450 D HN 0.349 nan 8.370 nan 0.000 0.494 451 V N 1.210 121.015 119.914 -0.181 0.000 2.358 451 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 451 V C 2.489 178.478 176.094 -0.175 0.000 1.047 451 V CA 0.961 63.053 62.300 -0.348 0.000 1.035 451 V CB -0.249 31.116 31.823 -0.763 0.000 0.658 451 V HN 0.184 nan 8.190 nan 0.000 0.452 452 I N -0.347 120.199 120.570 -0.040 0.000 2.226 452 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 452 I C 2.525 178.667 176.117 0.042 0.000 1.100 452 I CA 1.610 62.947 61.300 0.062 0.000 1.374 452 I CB -0.476 37.595 38.000 0.119 0.000 1.057 452 I HN 0.261 nan 8.210 nan 0.000 0.413 453 K N 0.487 120.900 120.400 0.022 0.000 2.097 453 K HA -0.206 4.114 4.320 -0.000 0.000 0.205 453 K C 2.089 178.697 176.600 0.013 0.000 1.050 453 K CA 1.252 57.555 56.287 0.026 0.000 0.938 453 K CB -0.146 32.369 32.500 0.025 0.000 0.718 453 K HN 0.329 nan 8.250 nan 0.000 0.442 454 E N 0.602 120.791 120.200 -0.018 0.000 2.106 454 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 454 E C 2.049 178.638 176.600 -0.018 0.000 0.984 454 E CA 0.770 57.155 56.400 -0.025 0.000 0.806 454 E CB 0.089 29.750 29.700 -0.066 0.000 0.750 454 E HN 0.119 nan 8.360 nan 0.000 0.458 455 S N 0.312 116.000 115.700 -0.019 0.000 2.370 455 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 455 S C 1.931 176.559 174.600 0.046 0.000 1.033 455 S CA 1.340 59.548 58.200 0.013 0.000 1.011 455 S CB -0.111 63.127 63.200 0.063 0.000 0.852 455 S HN 0.249 nan 8.310 nan 0.000 0.457 456 R N -0.023 120.511 120.500 0.058 0.000 2.115 456 R HA 0.025 4.365 4.340 -0.000 0.000 0.230 456 R C 2.264 178.596 176.300 0.053 0.000 1.111 456 R CA 1.347 57.487 56.100 0.068 0.000 0.976 456 R CB -0.454 29.888 30.300 0.070 0.000 0.870 456 R HN 0.324 nan 8.270 nan 0.000 0.445 457 V N 0.876 120.815 119.914 0.040 0.000 2.307 457 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 457 V C 1.844 177.961 176.094 0.039 0.000 1.045 457 V CA 1.320 63.644 62.300 0.040 0.000 1.024 457 V CB -0.288 31.558 31.823 0.037 0.000 0.651 457 V HN 0.197 nan 8.190 nan 0.000 0.449 458 L N -0.124 121.116 121.223 0.028 0.000 2.551 458 L HA 0.111 4.451 4.340 -0.000 0.000 0.228 458 L C 1.273 178.164 176.870 0.035 0.000 1.153 458 L CA 0.918 55.770 54.840 0.021 0.000 0.851 458 L CB -1.421 40.634 42.059 -0.006 0.000 0.959 458 L HN 0.419 nan 8.230 nan 0.000 0.451 459 R N -0.990 119.540 120.500 0.050 0.000 3.264 459 R HA -0.209 4.131 4.340 -0.000 0.000 0.251 459 R C -0.306 176.045 176.300 0.085 0.000 0.971 459 R CA -0.095 56.047 56.100 0.069 0.000 0.658 459 R CB -2.133 28.203 30.300 0.061 0.000 1.095 459 R HN 0.050 nan 8.270 nan 0.000 0.443 460 L N 1.505 122.780 121.223 0.087 0.000 2.453 460 L HA 0.027 4.367 4.340 -0.000 0.000 0.272 460 L C 1.382 178.369 176.870 0.196 0.000 1.182 460 L CA 0.897 55.807 54.840 0.118 0.000 0.858 460 L CB 0.598 42.680 42.059 0.039 0.000 1.120 460 L HN 0.199 nan 8.230 nan 0.000 0.474 461 Q N 5.197 125.148 119.800 0.251 0.000 2.474 461 Q HA 0.142 4.482 4.340 -0.000 0.000 0.256 461 Q C -1.965 174.184 176.000 0.248 0.000 1.048 461 Q CA -1.489 54.391 55.803 0.127 0.000 0.922 461 Q CB 0.307 28.921 28.738 -0.206 0.000 1.288 461 Q HN 0.424 nan 8.270 nan 0.000 0.484 462 P HA -0.152 nan 4.420 nan 0.000 0.268 462 P C 0.084 177.578 177.300 0.323 0.000 1.208 462 P CA 0.255 63.475 63.100 0.200 0.000 0.777 462 P CB 0.418 32.184 31.700 0.109 0.000 0.875 463 F N 3.166 123.234 119.950 0.197 0.000 2.087 463 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 463 F C 1.872 177.779 175.800 0.179 0.000 1.100 463 F CA 2.003 60.141 58.000 0.230 0.000 1.226 463 F CB -0.864 38.173 39.000 0.062 0.000 0.983 463 F HN 0.239 nan 8.300 nan 0.000 0.479 464 N N 0.421 119.144 118.700 0.038 0.000 2.223 464 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 464 N C 1.733 177.141 175.510 -0.170 0.000 1.016 464 N CA 1.230 54.204 53.050 -0.126 0.000 0.863 464 N CB -0.376 38.083 38.487 -0.048 0.000 0.983 464 N HN 0.403 nan 8.380 nan 0.000 0.429 465 E N -0.175 119.929 120.200 -0.159 0.000 2.106 465 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 465 E C 1.617 178.027 176.600 -0.316 0.000 0.984 465 E CA 0.677 56.889 56.400 -0.314 0.000 0.806 465 E CB -0.322 29.052 29.700 -0.545 0.000 0.750 465 E HN 0.502 nan 8.360 nan 0.000 0.458 466 Y N 0.888 121.121 120.300 -0.111 0.000 2.314 466 Y HA -0.057 4.492 4.550 -0.000 0.000 0.293 466 Y C 2.445 178.343 175.900 -0.003 0.000 1.129 466 Y CA 0.816 58.936 58.100 0.034 0.000 1.201 466 Y CB 0.097 38.728 38.460 0.286 0.000 0.999 466 Y HN -0.072 nan 8.280 nan 0.000 0.541 467 R N 0.621 121.045 120.500 -0.127 0.000 2.080 467 R HA -0.179 4.161 4.340 -0.000 0.000 0.236 467 R C 2.028 178.262 176.300 -0.111 0.000 1.137 467 R CA 1.527 57.498 56.100 -0.216 0.000 0.943 467 R CB -0.508 29.550 30.300 -0.403 0.000 0.846 467 R HN 0.371 nan 8.270 nan 0.000 0.431 468 K N 0.068 120.368 120.400 -0.166 0.000 2.057 468 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 468 K C 2.102 178.591 176.600 -0.186 0.000 1.049 468 K CA 1.057 57.237 56.287 -0.178 0.000 0.931 468 K CB -0.198 32.165 32.500 -0.229 0.000 0.714 468 K HN -0.116 nan 8.250 nan 0.000 0.440 469 R N 0.588 120.941 120.500 -0.244 0.000 2.200 469 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 469 R C 0.760 176.727 176.300 -0.555 0.000 1.127 469 R CA 1.362 57.219 56.100 -0.405 0.000 0.989 469 R CB -0.264 29.728 30.300 -0.512 0.000 0.869 469 R HN 0.105 nan 8.270 nan 0.000 0.459 470 F N -1.221 118.679 119.950 -0.083 0.000 2.708 470 F HA 0.349 4.876 4.527 -0.000 0.000 0.300 470 F C 1.328 177.092 175.800 -0.060 0.000 1.118 470 F CA 0.257 58.214 58.000 -0.071 0.000 1.307 470 F CB 0.902 39.865 39.000 -0.060 0.000 0.986 470 F HN 0.196 nan 8.300 nan 0.000 0.522 471 G N 0.499 109.318 108.800 0.032 0.000 2.141 471 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.242 471 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.242 471 G C 0.135 175.040 174.900 0.008 0.000 0.982 471 G CA -0.038 45.081 45.100 0.031 0.000 0.662 471 G HN 0.280 nan 8.290 nan 0.000 0.527 472 M N -0.336 119.246 119.600 -0.030 0.000 2.705 472 M HA 0.531 5.011 4.480 -0.000 0.000 0.311 472 M C 0.424 176.644 176.300 -0.134 0.000 1.214 472 M CA -0.751 54.498 55.300 -0.085 0.000 0.920 472 M CB 1.638 34.162 32.600 -0.126 0.000 1.687 472 M HN 0.004 nan 8.290 nan 0.000 0.481 473 K N 2.232 122.537 120.400 -0.159 0.000 2.218 473 K HA 0.384 4.704 4.320 -0.000 0.000 0.276 473 K C -2.340 174.100 176.600 -0.266 0.000 1.022 473 K CA -1.501 54.687 56.287 -0.165 0.000 0.946 473 K CB 0.305 32.730 32.500 -0.125 0.000 1.000 473 K HN 0.319 nan 8.250 nan 0.000 0.468 474 P HA -0.033 nan 4.420 nan 0.000 0.272 474 P C -0.922 176.239 177.300 -0.233 0.000 1.230 474 P CA 0.008 62.967 63.100 -0.236 0.000 0.788 474 P CB 0.396 32.017 31.700 -0.132 0.000 0.949 475 Y N 0.154 120.418 120.300 -0.059 0.000 2.425 475 Y HA 0.036 4.586 4.550 -0.000 0.000 0.331 475 Y C 2.186 178.036 175.900 -0.083 0.000 1.157 475 Y CA 0.422 58.486 58.100 -0.060 0.000 1.372 475 Y CB 0.498 38.919 38.460 -0.066 0.000 1.253 475 Y HN 0.391 nan 8.280 nan 0.000 0.536 476 T N -2.230 112.391 114.554 0.112 0.000 3.107 476 T HA 0.192 4.542 4.350 -0.000 0.000 0.249 476 T C 0.143 174.855 174.700 0.019 0.000 1.096 476 T CA 0.377 62.503 62.100 0.043 0.000 1.012 476 T CB -0.219 68.673 68.868 0.040 0.000 0.977 476 T HN 0.538 nan 8.240 nan 0.000 0.527 477 S N -1.281 114.417 115.700 -0.004 0.000 2.611 477 S HA 0.514 4.984 4.470 -0.000 0.000 0.270 477 S C -0.247 174.267 174.600 -0.144 0.000 1.131 477 S CA -0.958 57.217 58.200 -0.042 0.000 0.826 477 S CB -0.036 63.189 63.200 0.041 0.000 1.095 477 S HN -0.076 nan 8.310 nan 0.000 0.461 478 F N 1.942 121.871 119.950 -0.036 0.000 2.186 478 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 478 F C 2.880 178.606 175.800 -0.123 0.000 1.090 478 F CA 1.584 59.521 58.000 -0.105 0.000 1.307 478 F CB -0.125 38.821 39.000 -0.090 0.000 1.019 478 F HN 0.637 nan 8.300 nan 0.000 0.489 479 Q N 0.569 120.431 119.800 0.102 0.000 2.226 479 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 479 Q C 1.793 177.781 176.000 -0.021 0.000 0.975 479 Q CA 1.566 57.392 55.803 0.038 0.000 0.866 479 Q CB -0.948 27.820 28.738 0.050 0.000 0.915 479 Q HN 0.557 nan 8.270 nan 0.000 0.440 480 E N 0.539 120.716 120.200 -0.038 0.000 2.112 480 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 480 E C 1.997 178.440 176.600 -0.261 0.000 0.979 480 E CA 0.330 56.708 56.400 -0.036 0.000 0.814 480 E CB 0.104 29.862 29.700 0.097 0.000 0.762 480 E HN 0.266 nan 8.360 nan 0.000 0.460 481 L N 1.207 122.109 121.223 -0.536 0.000 1.961 481 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 481 L C 1.497 178.083 176.870 -0.472 0.000 1.072 481 L CA 1.914 56.177 54.840 -0.962 0.000 0.749 481 L CB -0.829 40.792 42.059 -0.729 0.000 0.889 481 L HN 0.095 nan 8.230 nan 0.000 0.432 482 T N -2.524 111.879 114.554 -0.251 0.000 2.882 482 T HA 0.429 4.779 4.350 -0.000 0.000 0.287 482 T C 0.853 175.490 174.700 -0.104 0.000 1.014 482 T CA -0.300 61.711 62.100 -0.147 0.000 1.049 482 T CB 1.134 69.955 68.868 -0.078 0.000 1.001 482 T HN 0.351 nan 8.240 nan 0.000 0.525 483 G N 0.834 109.594 108.800 -0.067 0.000 3.383 483 G HA2 0.438 4.398 3.960 -0.000 0.000 0.251 483 G HA3 0.438 4.398 3.960 -0.000 0.000 0.251 483 G C 0.092 174.982 174.900 -0.017 0.000 1.203 483 G CA -0.334 44.745 45.100 -0.035 0.000 0.852 483 G HN 0.925 nan 8.290 nan 0.000 0.531 484 E N -1.622 118.568 120.200 -0.017 0.000 2.437 484 E HA 0.625 4.975 4.350 -0.000 0.000 0.253 484 E C 0.448 177.054 176.600 0.009 0.000 0.905 484 E CA -0.871 55.527 56.400 -0.002 0.000 0.871 484 E CB 0.779 30.477 29.700 -0.003 0.000 1.649 484 E HN -0.225 nan 8.360 nan 0.000 0.422 485 K N -0.232 120.177 120.400 0.014 0.000 2.325 485 K HA 0.141 4.461 4.320 -0.000 0.000 0.203 485 K C 1.771 178.386 176.600 0.025 0.000 1.128 485 K CA 1.025 57.325 56.287 0.022 0.000 0.931 485 K CB -0.032 32.480 32.500 0.020 0.000 1.125 485 K HN 0.692 nan 8.250 nan 0.000 0.487 486 E N 1.186 121.401 120.200 0.024 0.000 2.023 486 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 486 E C 1.995 178.628 176.600 0.055 0.000 1.003 486 E CA 1.444 57.863 56.400 0.032 0.000 0.809 486 E CB 0.041 29.755 29.700 0.024 0.000 0.755 486 E HN 0.086 nan 8.360 nan 0.000 0.449 487 M N 0.254 119.896 119.600 0.071 0.000 2.117 487 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 487 M C 2.517 178.830 176.300 0.023 0.000 1.065 487 M CA 1.398 56.780 55.300 0.136 0.000 1.114 487 M CB -0.391 32.292 32.600 0.138 0.000 1.361 487 M HN 0.299 nan 8.290 nan 0.000 0.408 488 A N 0.710 123.531 122.820 0.002 0.000 1.873 488 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 488 A C 2.388 179.938 177.584 -0.056 0.000 1.193 488 A CA 2.334 54.370 52.037 -0.002 0.000 0.629 488 A CB -1.076 17.963 19.000 0.066 0.000 0.826 488 A HN 0.524 nan 8.150 nan 0.000 0.447 489 A N -0.859 121.957 122.820 -0.006 0.000 1.908 489 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 489 A C 2.047 179.609 177.584 -0.036 0.000 1.181 489 A CA 1.883 53.916 52.037 -0.006 0.000 0.627 489 A CB -0.517 18.495 19.000 0.020 0.000 0.818 489 A HN 0.678 nan 8.150 nan 0.000 0.445 490 E N -0.571 119.628 120.200 -0.002 0.000 2.152 490 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 490 E C 1.883 178.447 176.600 -0.059 0.000 0.983 490 E CA 0.537 56.970 56.400 0.055 0.000 0.818 490 E CB -0.107 29.725 29.700 0.219 0.000 0.758 490 E HN 0.646 nan 8.360 nan 0.000 0.467 491 L N 0.600 121.630 121.223 -0.322 0.000 2.109 491 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 491 L C 2.560 178.904 176.870 -0.877 0.000 1.086 491 L CA 0.968 55.385 54.840 -0.704 0.000 0.760 491 L CB -0.231 41.190 42.059 -1.064 0.000 0.910 491 L HN 0.176 nan 8.230 nan 0.000 0.437 492 E N 0.118 119.857 120.200 -0.769 0.000 2.110 492 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 492 E C 2.026 178.561 176.600 -0.108 0.000 0.988 492 E CA 1.233 57.419 56.400 -0.357 0.000 0.804 492 E CB 0.141 29.825 29.700 -0.025 0.000 0.745 492 E HN 0.436 nan 8.360 nan 0.000 0.458 493 E N 0.036 120.180 120.200 -0.093 0.000 2.107 493 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 493 E C 2.220 178.807 176.600 -0.022 0.000 0.982 493 E CA 0.458 56.845 56.400 -0.022 0.000 0.809 493 E CB 0.120 29.820 29.700 -0.000 0.000 0.756 493 E HN 0.263 nan 8.360 nan 0.000 0.459 494 L N -0.578 120.612 121.223 -0.055 0.000 2.068 494 L HA -0.128 4.212 4.340 -0.000 0.000 0.204 494 L C 2.131 178.932 176.870 -0.116 0.000 1.076 494 L CA 1.036 55.828 54.840 -0.080 0.000 0.753 494 L CB -0.302 41.710 42.059 -0.079 0.000 0.910 494 L HN 0.186 nan 8.230 nan 0.000 0.439 495 Y N -0.642 119.619 120.300 -0.066 0.000 2.420 495 Y HA 0.018 4.568 4.550 -0.000 0.000 0.292 495 Y C 2.069 178.032 175.900 0.105 0.000 1.119 495 Y CA 0.845 58.976 58.100 0.052 0.000 1.229 495 Y CB 0.258 38.818 38.460 0.168 0.000 1.026 495 Y HN 0.308 nan 8.280 nan 0.000 0.554 496 G N -0.331 108.605 108.800 0.228 0.000 2.708 496 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.229 496 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.229 496 G C -0.049 174.999 174.900 0.246 0.000 1.236 496 G CA 0.561 45.774 45.100 0.189 0.000 0.749 496 G HN 0.358 nan 8.290 nan 0.000 0.515 497 D N -0.684 119.907 120.400 0.318 0.000 2.964 497 D HA 0.500 5.139 4.640 -0.000 0.000 0.234 497 D C 1.032 177.462 176.300 0.215 0.000 1.223 497 D CA -0.483 53.666 54.000 0.249 0.000 0.889 497 D CB 1.422 42.316 40.800 0.156 0.000 1.609 497 D HN 0.186 nan 8.370 nan 0.000 0.523 498 I N 2.588 123.161 120.570 0.004 0.000 2.502 498 I HA -0.190 3.980 4.170 -0.000 0.000 0.258 498 I C 1.101 177.098 176.117 -0.200 0.000 1.172 498 I CA 1.518 62.536 61.300 -0.470 0.000 1.430 498 I CB 0.053 37.741 38.000 -0.521 0.000 1.086 498 I HN 0.360 nan 8.210 nan 0.000 0.440 499 D N 0.260 120.641 120.400 -0.033 0.000 2.363 499 D HA 0.082 4.722 4.640 -0.000 0.000 0.226 499 D C 1.859 178.198 176.300 0.065 0.000 1.020 499 D CA 0.981 54.995 54.000 0.025 0.000 0.892 499 D CB 0.227 41.063 40.800 0.061 0.000 0.900 499 D HN 0.517 nan 8.370 nan 0.000 0.531 500 A N 0.129 122.991 122.820 0.071 0.000 2.252 500 A HA 0.117 4.437 4.320 -0.000 0.000 0.213 500 A C 0.924 178.488 177.584 -0.033 0.000 1.188 500 A CA -0.340 51.778 52.037 0.134 0.000 0.863 500 A CB 0.102 19.267 19.000 0.275 0.000 0.893 500 A HN 0.176 nan 8.150 nan 0.000 0.495 501 L N 1.743 122.784 121.223 -0.303 0.000 2.578 501 L HA 0.093 4.433 4.340 -0.000 0.000 0.279 501 L C 0.179 176.935 176.870 -0.189 0.000 1.227 501 L CA 0.352 54.792 54.840 -0.667 0.000 0.900 501 L CB -0.084 41.708 42.059 -0.446 0.000 1.144 501 L HN 0.410 nan 8.230 nan 0.000 0.496 502 E N 3.681 123.804 120.200 -0.129 0.000 2.345 502 E HA 0.030 4.380 4.350 -0.000 0.000 0.259 502 E C 0.410 177.130 176.600 0.201 0.000 1.117 502 E CA -0.265 56.231 56.400 0.159 0.000 0.913 502 E CB 0.548 30.399 29.700 0.250 0.000 1.057 502 E HN 0.673 nan 8.360 nan 0.000 0.432 503 F N 1.287 121.338 119.950 0.169 0.000 2.025 503 F HA -0.325 4.202 4.527 -0.000 0.000 0.297 503 F C 2.113 177.991 175.800 0.130 0.000 1.132 503 F CA 1.810 59.934 58.000 0.207 0.000 1.191 503 F CB -0.370 38.636 39.000 0.011 0.000 0.963 503 F HN 0.614 nan 8.300 nan 0.000 0.481 504 Y N 1.287 121.581 120.300 -0.010 0.000 2.114 504 Y HA -0.054 4.496 4.550 -0.000 0.000 0.284 504 Y C -0.745 175.030 175.900 -0.208 0.000 1.143 504 Y CA 1.483 59.487 58.100 -0.160 0.000 1.135 504 Y CB -2.014 36.426 38.460 -0.033 0.000 0.980 504 Y HN 0.058 nan 8.280 nan 0.000 0.499 505 P HA -0.132 nan 4.420 nan 0.000 0.218 505 P C 1.670 178.675 177.300 -0.491 0.000 1.148 505 P CA 2.316 65.242 63.100 -0.290 0.000 0.822 505 P CB -0.424 31.242 31.700 -0.057 0.000 0.784 506 G N -0.314 108.071 108.800 -0.691 0.000 2.421 506 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 506 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 506 G C 1.478 175.686 174.900 -1.154 0.000 1.171 506 G CA 0.515 44.782 45.100 -1.388 0.000 0.775 506 G HN 0.221 nan 8.290 nan 0.000 0.543 507 L N -0.087 120.667 121.223 -0.783 0.000 2.046 507 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 507 L C 2.789 179.426 176.870 -0.388 0.000 1.077 507 L CA 0.715 55.291 54.840 -0.441 0.000 0.747 507 L CB -0.305 41.528 42.059 -0.377 0.000 0.896 507 L HN 0.172 nan 8.230 nan 0.000 0.432 508 L N -0.842 120.099 121.223 -0.470 0.000 2.395 508 L HA -0.092 4.248 4.340 -0.000 0.000 0.218 508 L C 1.964 178.666 176.870 -0.279 0.000 1.130 508 L CA 0.558 55.182 54.840 -0.360 0.000 0.826 508 L CB -0.067 41.721 42.059 -0.451 0.000 0.941 508 L HN 0.310 nan 8.230 nan 0.000 0.451 509 L N -0.952 120.076 121.223 -0.326 0.000 2.616 509 L HA 0.115 4.455 4.340 -0.000 0.000 0.229 509 L C 1.110 177.827 176.870 -0.254 0.000 1.110 509 L CA -0.120 54.566 54.840 -0.257 0.000 0.884 509 L CB 0.130 42.027 42.059 -0.270 0.000 1.115 509 L HN 0.183 nan 8.230 nan 0.000 0.481 510 E N 2.964 122.991 120.200 -0.289 0.000 2.413 510 E HA 0.006 4.356 4.350 -0.000 0.000 0.263 510 E C -0.077 176.420 176.600 -0.173 0.000 1.015 510 E CA -0.430 55.825 56.400 -0.241 0.000 0.916 510 E CB 0.689 30.305 29.700 -0.140 0.000 0.947 510 E HN 0.138 nan 8.360 nan 0.000 0.440 511 K N 2.609 122.914 120.400 -0.158 0.000 2.469 511 K HA 0.069 4.389 4.320 -0.000 0.000 0.274 511 K C -0.674 175.862 176.600 -0.107 0.000 0.983 511 K CA -0.589 55.634 56.287 -0.108 0.000 0.974 511 K CB 0.388 32.842 32.500 -0.077 0.000 0.913 511 K HN 0.321 nan 8.250 nan 0.000 0.493 512 C N 2.123 121.371 119.300 -0.087 0.000 2.443 512 C HA 0.216 4.676 4.460 -0.000 0.000 0.369 512 C C 0.591 175.558 174.990 -0.039 0.000 1.241 512 C CA -0.599 58.364 59.018 -0.091 0.000 2.413 512 C CB -0.342 27.359 27.740 -0.066 0.000 2.451 512 C HN 0.784 nan 8.230 nan 0.000 0.595 513 H N 1.259 120.311 119.070 -0.030 0.000 2.757 513 H HA 0.070 4.626 4.556 -0.000 0.000 0.370 513 H C -1.242 174.104 175.328 0.030 0.000 1.172 513 H CA -0.459 55.580 56.048 -0.016 0.000 1.426 513 H CB 0.176 29.849 29.762 -0.148 0.000 1.438 513 H HN 0.510 nan 8.280 nan 0.000 0.612 514 P HA -0.309 nan 4.420 nan 0.000 0.233 514 P C -0.392 176.956 177.300 0.080 0.000 0.771 514 P CA 1.920 65.106 63.100 0.144 0.000 1.081 514 P CB 0.116 31.924 31.700 0.181 0.000 0.741 515 N N -1.773 116.966 118.700 0.065 0.000 2.699 515 N HA 0.262 5.002 4.740 -0.000 0.000 0.317 515 N C -0.982 174.511 175.510 -0.030 0.000 1.661 515 N CA -0.112 52.940 53.050 0.003 0.000 0.979 515 N CB 0.370 38.854 38.487 -0.006 0.000 1.329 515 N HN 0.028 nan 8.380 nan 0.000 0.497 516 S N -0.204 115.484 115.700 -0.021 0.000 2.681 516 S HA 0.369 4.839 4.470 -0.000 0.000 0.299 516 S C 1.181 175.648 174.600 -0.223 0.000 1.113 516 S CA -0.815 57.332 58.200 -0.088 0.000 1.013 516 S CB 1.682 64.904 63.200 0.037 0.000 1.076 516 S HN 0.315 nan 8.310 nan 0.000 0.534 517 I N 0.625 120.934 120.570 -0.435 0.000 2.546 517 I HA 0.112 4.282 4.170 -0.000 0.000 0.255 517 I C -0.337 175.454 176.117 -0.543 0.000 1.163 517 I CA 1.033 61.965 61.300 -0.614 0.000 1.457 517 I CB 0.014 37.451 38.000 -0.939 0.000 1.092 517 I HN 0.664 nan 8.210 nan 0.000 0.434 518 F N -2.166 117.639 119.950 -0.242 0.000 2.985 518 F HA 0.664 5.191 4.527 -0.000 0.000 0.322 518 F C 0.297 175.939 175.800 -0.263 0.000 1.187 518 F CA -1.182 56.666 58.000 -0.254 0.000 0.910 518 F CB -0.075 38.743 39.000 -0.304 0.000 1.411 518 F HN -0.266 nan 8.300 nan 0.000 0.492 519 G N -0.277 108.532 108.800 0.016 0.000 2.621 519 G HA2 0.333 4.293 3.960 -0.000 0.000 0.271 519 G HA3 0.333 4.293 3.960 -0.000 0.000 0.271 519 G C 0.419 175.112 174.900 -0.344 0.000 1.236 519 G CA -0.007 44.953 45.100 -0.233 0.000 0.958 519 G HN 1.005 nan 8.290 nan 0.000 0.512 520 E N -0.744 119.163 120.200 -0.489 0.000 2.077 520 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 520 E C 2.270 178.802 176.600 -0.113 0.000 0.989 520 E CA 1.513 57.753 56.400 -0.266 0.000 0.800 520 E CB -0.381 29.264 29.700 -0.092 0.000 0.746 520 E HN 0.270 nan 8.360 nan 0.000 0.452 521 S N 0.709 116.365 115.700 -0.073 0.000 2.374 521 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 521 S C 1.819 176.319 174.600 -0.167 0.000 1.037 521 S CA 1.786 59.956 58.200 -0.050 0.000 1.024 521 S CB -0.336 62.953 63.200 0.149 0.000 0.861 521 S HN 0.272 nan 8.310 nan 0.000 0.456 522 M N 1.253 120.674 119.600 -0.298 0.000 2.149 522 M HA -0.015 4.464 4.480 -0.000 0.000 0.261 522 M C 1.631 177.663 176.300 -0.447 0.000 1.064 522 M CA 1.477 56.464 55.300 -0.521 0.000 1.102 522 M CB -0.491 31.411 32.600 -1.163 0.000 1.369 522 M HN 0.297 nan 8.290 nan 0.000 0.408 523 I N -0.794 119.589 120.570 -0.312 0.000 2.235 523 I HA -0.199 3.971 4.170 -0.000 0.000 0.241 523 I C 2.040 178.129 176.117 -0.048 0.000 1.085 523 I CA 0.830 62.084 61.300 -0.076 0.000 1.378 523 I CB -0.667 37.401 38.000 0.114 0.000 1.076 523 I HN 0.185 nan 8.210 nan 0.000 0.415 524 E N 0.529 120.698 120.200 -0.052 0.000 2.204 524 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 524 E C 2.061 178.521 176.600 -0.234 0.000 0.990 524 E CA 1.301 57.670 56.400 -0.052 0.000 0.821 524 E CB -0.107 29.592 29.700 -0.002 0.000 0.750 524 E HN 0.566 nan 8.360 nan 0.000 0.477 525 M N -1.109 118.261 119.600 -0.383 0.000 2.545 525 M HA 0.117 4.597 4.480 -0.000 0.000 0.264 525 M C 2.091 178.065 176.300 -0.543 0.000 1.155 525 M CA 0.864 55.647 55.300 -0.861 0.000 1.162 525 M CB 0.329 32.583 32.600 -0.576 0.000 1.330 525 M HN 0.060 nan 8.290 nan 0.000 0.479 526 G N -0.142 108.553 108.800 -0.176 0.000 2.492 526 G HA2 0.081 4.041 3.960 -0.000 0.000 0.214 526 G HA3 0.081 4.041 3.960 -0.000 0.000 0.214 526 G C 1.582 176.507 174.900 0.041 0.000 1.147 526 G CA 0.720 45.856 45.100 0.060 0.000 0.809 526 G HN 0.439 nan 8.290 nan 0.000 0.533 527 A N 1.846 124.663 122.820 -0.004 0.000 1.883 527 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 527 A C 0.681 178.265 177.584 0.000 0.000 1.186 527 A CA 1.959 54.025 52.037 0.048 0.000 0.624 527 A CB -1.194 17.845 19.000 0.065 0.000 0.822 527 A HN 0.346 nan 8.150 nan 0.000 0.444 528 P HA -0.135 nan 4.420 nan 0.000 0.215 528 P C 1.225 178.424 177.300 -0.168 0.000 1.157 528 P CA 1.158 64.187 63.100 -0.118 0.000 0.868 528 P CB -0.204 31.414 31.700 -0.137 0.000 0.788 529 F N -0.472 119.321 119.950 -0.262 0.000 2.134 529 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 529 F C 2.466 177.896 175.800 -0.617 0.000 1.097 529 F CA 1.060 58.660 58.000 -0.667 0.000 1.264 529 F CB -0.755 37.391 39.000 -1.423 0.000 1.001 529 F HN -0.109 nan 8.300 nan 0.000 0.479 530 S N 0.828 116.475 115.700 -0.089 0.000 2.344 530 S HA -0.168 4.302 4.470 -0.000 0.000 0.217 530 S C 2.047 176.735 174.600 0.146 0.000 1.033 530 S CA 1.261 59.572 58.200 0.185 0.000 1.017 530 S CB -0.710 62.701 63.200 0.352 0.000 0.941 530 S HN 0.231 nan 8.310 nan 0.000 0.430 531 L N 1.259 122.555 121.223 0.123 0.000 2.042 531 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 531 L C 2.529 179.485 176.870 0.144 0.000 1.076 531 L CA 1.361 56.277 54.840 0.127 0.000 0.749 531 L CB -0.549 41.577 42.059 0.111 0.000 0.893 531 L HN 0.232 nan 8.230 nan 0.000 0.432 532 K N 0.867 121.337 120.400 0.117 0.000 2.097 532 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 532 K C 1.899 178.568 176.600 0.115 0.000 1.049 532 K CA 1.624 57.998 56.287 0.144 0.000 0.933 532 K CB -0.721 31.808 32.500 0.049 0.000 0.717 532 K HN 0.226 nan 8.250 nan 0.000 0.442 533 G N 0.318 109.150 108.800 0.054 0.000 2.403 533 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 533 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 533 G C 1.221 176.167 174.900 0.077 0.000 1.154 533 G CA 0.485 45.593 45.100 0.013 0.000 0.784 533 G HN 0.187 nan 8.290 nan 0.000 0.538 534 L N 0.318 121.618 121.223 0.129 0.000 2.023 534 L HA 0.173 4.513 4.340 -0.000 0.000 0.205 534 L C 2.769 179.738 176.870 0.164 0.000 1.073 534 L CA 0.958 55.875 54.840 0.129 0.000 0.745 534 L CB -1.132 40.985 42.059 0.097 0.000 0.900 534 L HN 0.134 nan 8.230 nan 0.000 0.435 535 L N -0.544 120.810 121.223 0.218 0.000 2.341 535 L HA 0.068 4.408 4.340 -0.000 0.000 0.214 535 L C 1.552 178.729 176.870 0.511 0.000 1.115 535 L CA 0.869 55.887 54.840 0.297 0.000 0.820 535 L CB -1.251 40.873 42.059 0.109 0.000 0.944 535 L HN 0.320 nan 8.230 nan 0.000 0.452 536 G N 1.095 110.161 108.800 0.442 0.000 3.455 536 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.250 536 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.250 536 G C 0.246 175.304 174.900 0.262 0.000 1.071 536 G CA -0.096 45.195 45.100 0.317 0.000 1.812 536 G HN 0.193 nan 8.290 nan 0.000 0.643 537 N N 0.482 119.398 118.700 0.360 0.000 2.284 537 N HA 0.300 5.040 4.740 -0.000 0.000 0.300 537 N C -1.578 174.083 175.510 0.251 0.000 1.047 537 N CA -1.982 51.222 53.050 0.257 0.000 0.821 537 N CB 3.279 41.910 38.487 0.241 0.000 1.337 537 N HN -0.142 nan 8.380 nan 0.000 0.482 538 P HA -0.176 nan 4.420 nan 0.000 0.217 538 P C 1.458 178.668 177.300 -0.150 0.000 1.151 538 P CA 1.435 64.432 63.100 -0.172 0.000 0.849 538 P CB -0.040 31.515 31.700 -0.242 0.000 0.787 539 I N -3.633 117.102 120.570 0.275 0.000 3.083 539 I HA -0.060 4.110 4.170 -0.000 0.000 0.273 539 I C 1.583 178.017 176.117 0.528 0.000 1.297 539 I CA 1.134 62.761 61.300 0.545 0.000 1.452 539 I CB -1.078 37.309 38.000 0.645 0.000 1.078 539 I HN -0.157 nan 8.210 nan 0.000 0.484 540 C N 1.157 120.621 119.300 0.272 0.000 2.791 540 C HA 0.237 4.697 4.460 -0.000 0.000 0.270 540 C C 1.731 176.629 174.990 -0.154 0.000 1.257 540 C CA 0.195 59.307 59.018 0.156 0.000 1.699 540 C CB -1.514 26.414 27.740 0.314 0.000 1.904 540 C HN 0.712 nan 8.230 nan 0.000 0.603 541 S N 1.704 117.071 115.700 -0.556 0.000 2.603 541 S HA 0.233 4.703 4.470 -0.000 0.000 0.268 541 S C -1.766 172.649 174.600 -0.307 0.000 1.317 541 S CA -0.577 56.998 58.200 -1.043 0.000 1.012 541 S CB 0.730 63.377 63.200 -0.922 0.000 0.926 541 S HN 0.040 nan 8.310 nan 0.000 0.539 542 P HA -0.091 nan 4.420 nan 0.000 0.216 542 P C 1.390 178.605 177.300 -0.142 0.000 1.150 542 P CA 1.171 63.898 63.100 -0.621 0.000 0.837 542 P CB 0.073 31.297 31.700 -0.792 0.000 0.786 543 E N -1.286 118.861 120.200 -0.089 0.000 2.072 543 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 543 E C 1.781 178.535 176.600 0.255 0.000 0.985 543 E CA 1.566 58.008 56.400 0.070 0.000 0.801 543 E CB -0.798 28.951 29.700 0.082 0.000 0.750 543 E HN 0.379 nan 8.360 nan 0.000 0.452 544 Y N -1.837 118.463 120.300 0.001 0.000 2.347 544 Y HA -0.016 4.534 4.550 -0.000 0.000 0.294 544 Y C 1.047 177.032 175.900 0.141 0.000 1.117 544 Y CA -0.384 57.732 58.100 0.027 0.000 1.184 544 Y CB -0.022 38.467 38.460 0.049 0.000 1.047 544 Y HN 0.122 nan 8.280 nan 0.000 0.546 545 W N 4.462 125.919 121.300 0.261 0.000 1.282 545 W HA 0.094 4.754 4.660 -0.000 0.000 0.527 545 W C -0.962 175.689 176.519 0.220 0.000 0.616 545 W CA 0.685 58.244 57.345 0.356 0.000 2.357 545 W CB -0.652 29.106 29.460 0.497 0.000 1.453 545 W HN 0.080 nan 8.180 nan 0.000 0.188 546 K N 0.973 121.265 120.400 -0.181 0.000 2.435 546 K HA 0.441 4.761 4.320 -0.000 0.000 0.251 546 K C 0.673 176.851 176.600 -0.703 0.000 0.954 546 K CA -0.431 55.663 56.287 -0.320 0.000 0.820 546 K CB 1.692 34.116 32.500 -0.125 0.000 1.292 546 K HN -0.053 nan 8.250 nan 0.000 0.436 547 A N 0.890 123.339 122.820 -0.620 0.000 1.978 547 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 547 A C 1.976 179.448 177.584 -0.185 0.000 1.170 547 A CA 2.278 54.034 52.037 -0.469 0.000 0.636 547 A CB -0.848 18.133 19.000 -0.031 0.000 0.810 547 A HN 0.792 nan 8.150 nan 0.000 0.448 548 S N -0.879 114.731 115.700 -0.149 0.000 2.399 548 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 548 S C 1.796 176.296 174.600 -0.167 0.000 1.022 548 S CA 1.907 60.056 58.200 -0.085 0.000 0.983 548 S CB -1.251 61.906 63.200 -0.071 0.000 0.803 548 S HN 0.481 nan 8.310 nan 0.000 0.480 549 T N 1.523 115.875 114.554 -0.337 0.000 2.759 549 T HA 0.013 4.363 4.350 -0.000 0.000 0.269 549 T C 0.641 174.944 174.700 -0.661 0.000 1.042 549 T CA 1.364 63.109 62.100 -0.592 0.000 1.140 549 T CB -0.496 67.849 68.868 -0.871 0.000 0.864 549 T HN 0.594 nan 8.240 nan 0.000 0.455 550 F N 0.261 120.109 119.950 -0.169 0.000 2.639 550 F HA 0.466 4.992 4.527 -0.000 0.000 0.300 550 F C 1.707 177.541 175.800 0.056 0.000 1.109 550 F CA -0.287 57.684 58.000 -0.049 0.000 1.335 550 F CB -0.089 38.879 39.000 -0.054 0.000 1.014 550 F HN 0.221 nan 8.300 nan 0.000 0.537 551 G N -0.078 108.842 108.800 0.200 0.000 2.157 551 G HA2 0.097 4.057 3.960 -0.000 0.000 0.248 551 G HA3 0.097 4.057 3.960 -0.000 0.000 0.248 551 G C 0.591 175.662 174.900 0.285 0.000 0.979 551 G CA -0.104 45.171 45.100 0.291 0.000 0.650 551 G HN 1.196 nan 8.290 nan 0.000 0.529 552 G N -1.188 107.726 108.800 0.191 0.000 2.373 552 G HA2 0.334 4.294 3.960 -0.000 0.000 0.634 552 G HA3 0.334 4.294 3.960 -0.000 0.000 0.634 552 G C 0.148 175.140 174.900 0.153 0.000 1.267 552 G CA 0.529 45.719 45.100 0.150 0.000 1.008 552 G HN 0.930 nan 8.290 nan 0.000 0.497 553 E N -0.848 119.428 120.200 0.127 0.000 2.130 553 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 553 E C 2.628 179.298 176.600 0.116 0.000 0.998 553 E CA 2.439 58.920 56.400 0.136 0.000 0.806 553 E CB -0.174 29.573 29.700 0.078 0.000 0.738 553 E HN 1.211 nan 8.360 nan 0.000 0.459 554 V N -0.500 119.463 119.914 0.083 0.000 2.358 554 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 554 V C 1.963 178.114 176.094 0.095 0.000 1.047 554 V CA 2.406 64.742 62.300 0.061 0.000 1.035 554 V CB -0.620 31.217 31.823 0.024 0.000 0.658 554 V HN 0.378 nan 8.190 nan 0.000 0.452 555 G N -1.277 107.611 108.800 0.147 0.000 2.408 555 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 555 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 555 G C 1.533 176.539 174.900 0.175 0.000 1.150 555 G CA 0.909 46.123 45.100 0.190 0.000 0.776 555 G HN 0.496 nan 8.290 nan 0.000 0.542 556 F N 2.407 122.326 119.950 -0.052 0.000 2.134 556 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 556 F C 2.276 177.935 175.800 -0.235 0.000 1.097 556 F CA 0.860 58.688 58.000 -0.287 0.000 1.264 556 F CB -0.433 38.437 39.000 -0.217 0.000 1.001 556 F HN 0.088 nan 8.300 nan 0.000 0.479 557 N N 0.571 119.277 118.700 0.011 0.000 2.309 557 N HA -0.130 4.610 4.740 -0.000 0.000 0.182 557 N C 2.100 177.595 175.510 -0.024 0.000 1.018 557 N CA 0.809 53.821 53.050 -0.064 0.000 0.876 557 N CB -0.488 37.980 38.487 -0.031 0.000 0.972 557 N HN 0.331 nan 8.380 nan 0.000 0.434 558 L N 0.122 121.356 121.223 0.020 0.000 2.141 558 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 558 L C 2.066 178.977 176.870 0.068 0.000 1.094 558 L CA 0.644 55.514 54.840 0.049 0.000 0.763 558 L CB -0.255 41.853 42.059 0.081 0.000 0.908 558 L HN -0.022 nan 8.230 nan 0.000 0.437 559 V N -0.250 119.682 119.914 0.030 0.000 2.346 559 V HA -0.207 3.913 4.120 -0.000 0.000 0.244 559 V C 2.301 178.477 176.094 0.136 0.000 1.037 559 V CA 1.521 63.878 62.300 0.096 0.000 1.029 559 V CB -0.399 31.410 31.823 -0.024 0.000 0.663 559 V HN 0.376 nan 8.190 nan 0.000 0.454 560 K N 0.519 120.910 120.400 -0.014 0.000 2.280 560 K HA -0.110 4.210 4.320 -0.000 0.000 0.202 560 K C 1.645 178.257 176.600 0.021 0.000 1.047 560 K CA 1.742 58.012 56.287 -0.028 0.000 0.942 560 K CB -0.209 32.153 32.500 -0.229 0.000 0.739 560 K HN 0.686 nan 8.250 nan 0.000 0.457 561 T N -2.745 111.825 114.554 0.026 0.000 3.145 561 T HA 0.396 4.746 4.350 -0.000 0.000 0.281 561 T C 0.371 175.103 174.700 0.053 0.000 1.003 561 T CA -0.497 61.621 62.100 0.029 0.000 0.901 561 T CB 0.367 69.236 68.868 0.001 0.000 1.112 561 T HN 0.073 nan 8.240 nan 0.000 0.535 562 A N 1.129 124.005 122.820 0.094 0.000 2.561 562 A HA 0.519 4.839 4.320 -0.000 0.000 0.234 562 A C 0.393 178.026 177.584 0.081 0.000 1.055 562 A CA 0.269 52.370 52.037 0.106 0.000 0.756 562 A CB -0.086 19.022 19.000 0.179 0.000 0.986 562 A HN 0.445 nan 8.150 nan 0.000 0.505 563 T N 1.720 116.299 114.554 0.042 0.000 2.932 563 T HA 0.328 4.678 4.350 -0.000 0.000 0.318 563 T C 1.055 175.728 174.700 -0.044 0.000 1.265 563 T CA -0.573 61.528 62.100 0.001 0.000 1.036 563 T CB 1.120 69.973 68.868 -0.025 0.000 1.209 563 T HN 0.614 nan 8.240 nan 0.000 0.484 564 L N 2.587 123.750 121.223 -0.100 0.000 2.046 564 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 564 L C 2.407 179.170 176.870 -0.178 0.000 1.077 564 L CA 1.894 56.628 54.840 -0.177 0.000 0.747 564 L CB -0.273 41.512 42.059 -0.457 0.000 0.896 564 L HN 0.696 nan 8.230 nan 0.000 0.432 565 K N 0.105 120.400 120.400 -0.175 0.000 2.097 565 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 565 K C 2.087 178.616 176.600 -0.118 0.000 1.049 565 K CA 1.479 57.673 56.287 -0.154 0.000 0.933 565 K CB 0.079 32.495 32.500 -0.139 0.000 0.717 565 K HN 0.258 nan 8.250 nan 0.000 0.442 566 K N 0.331 120.674 120.400 -0.095 0.000 2.167 566 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 566 K C 1.967 178.504 176.600 -0.105 0.000 1.052 566 K CA 0.697 56.936 56.287 -0.080 0.000 0.956 566 K CB -0.085 32.385 32.500 -0.050 0.000 0.735 566 K HN 0.061 nan 8.250 nan 0.000 0.451 567 L N 0.769 121.912 121.223 -0.133 0.000 2.042 567 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 567 L C 1.831 178.565 176.870 -0.226 0.000 1.076 567 L CA 1.670 56.378 54.840 -0.220 0.000 0.749 567 L CB -0.303 41.578 42.059 -0.297 0.000 0.893 567 L HN -0.091 nan 8.230 nan 0.000 0.432 568 V N -1.477 118.327 119.914 -0.184 0.000 2.300 568 V HA -0.246 3.874 4.120 -0.000 0.000 0.241 568 V C 2.514 178.526 176.094 -0.136 0.000 1.034 568 V CA 1.702 63.900 62.300 -0.171 0.000 1.021 568 V CB -0.447 31.284 31.823 -0.154 0.000 0.662 568 V HN 0.589 nan 8.190 nan 0.000 0.458 569 c N -0.147 118.384 118.600 -0.115 0.000 2.419 569 c HA -0.046 4.524 4.570 -0.000 0.000 0.281 569 c C 2.315 176.356 174.090 -0.082 0.000 1.336 569 c CA 0.287 56.562 56.329 -0.091 0.000 1.770 569 c CB -1.103 41.359 42.510 -0.079 0.000 1.929 569 c HN 0.455 nan 8.230 nan 0.000 0.509 570 L N 1.322 122.494 121.223 -0.085 0.000 2.599 570 L HA 0.110 4.450 4.340 -0.000 0.000 0.230 570 L C 1.351 178.173 176.870 -0.080 0.000 1.141 570 L CA 1.414 56.211 54.840 -0.072 0.000 0.877 570 L CB -0.773 41.249 42.059 -0.062 0.000 1.009 570 L HN 0.403 nan 8.230 nan 0.000 0.447 571 N N -1.779 116.861 118.700 -0.099 0.000 2.143 571 N HA 0.128 4.868 4.740 -0.000 0.000 0.222 571 N C 0.140 175.580 175.510 -0.117 0.000 1.264 571 N CA 0.324 53.307 53.050 -0.111 0.000 0.897 571 N CB 1.189 39.597 38.487 -0.131 0.000 1.092 571 N HN 0.268 nan 8.380 nan 0.000 0.516 572 T N -2.051 112.443 114.554 -0.100 0.000 2.908 572 T HA 0.421 4.771 4.350 -0.000 0.000 0.290 572 T C 1.125 175.783 174.700 -0.070 0.000 1.034 572 T CA -0.644 61.401 62.100 -0.092 0.000 1.010 572 T CB 2.517 71.334 68.868 -0.085 0.000 1.068 572 T HN -0.344 nan 8.240 nan 0.000 0.481 573 K N 1.110 121.474 120.400 -0.060 0.000 2.057 573 K HA 0.029 4.349 4.320 -0.000 0.000 0.207 573 K C 1.454 178.032 176.600 -0.036 0.000 1.049 573 K CA 1.531 57.791 56.287 -0.044 0.000 0.931 573 K CB -0.757 31.722 32.500 -0.034 0.000 0.714 573 K HN 0.946 nan 8.250 nan 0.000 0.440 574 T N -3.278 111.256 114.554 -0.033 0.000 2.916 574 T HA 0.376 4.726 4.350 -0.000 0.000 0.292 574 T C -0.435 174.245 174.700 -0.032 0.000 1.064 574 T CA -1.045 61.039 62.100 -0.026 0.000 1.011 574 T CB 1.958 70.817 68.868 -0.014 0.000 1.152 574 T HN 0.109 nan 8.240 nan 0.000 0.510 575 c N 4.300 122.884 118.600 -0.027 0.000 2.251 575 c HA 0.746 5.316 4.570 -0.000 0.000 0.323 575 c C -1.763 172.318 174.090 -0.015 0.000 1.241 575 c CA -1.243 55.066 56.329 -0.033 0.000 1.601 575 c CB -0.251 42.237 42.510 -0.036 0.000 2.251 575 c HN 0.891 nan 8.230 nan 0.000 0.488 576 P HA 0.216 nan 4.420 nan 0.000 0.321 576 P C -1.390 175.939 177.300 0.047 0.000 1.304 576 P CA -0.464 62.649 63.100 0.022 0.000 0.759 576 P CB 0.490 32.197 31.700 0.012 0.000 1.385 577 Y N 0.359 120.648 120.300 -0.018 0.000 2.436 577 Y HA 0.392 4.942 4.550 -0.000 0.000 0.336 577 Y C -0.623 175.272 175.900 -0.008 0.000 1.049 577 Y CA -0.256 57.839 58.100 -0.010 0.000 1.294 577 Y CB 0.178 38.641 38.460 0.004 0.000 1.179 577 Y HN 0.118 nan 8.280 nan 0.000 0.520 578 V N 6.904 126.480 119.914 -0.563 0.000 2.525 578 V HA 0.790 4.910 4.120 -0.000 0.000 0.299 578 V C -1.206 174.536 176.094 -0.588 0.000 1.034 578 V CA 0.303 62.342 62.300 -0.435 0.000 0.863 578 V CB 1.441 33.117 31.823 -0.246 0.000 0.999 578 V HN 0.937 nan 8.190 nan 0.000 0.423 579 S N 4.692 120.114 115.700 -0.463 0.000 2.645 579 S HA 0.469 4.939 4.470 -0.000 0.000 0.268 579 S C -0.500 174.053 174.600 -0.078 0.000 1.110 579 S CA -0.389 57.588 58.200 -0.372 0.000 0.823 579 S CB 1.058 64.037 63.200 -0.368 0.000 1.091 579 S HN 0.620 nan 8.310 nan 0.000 0.466 580 F N 1.445 121.459 119.950 0.106 0.000 2.727 580 F HA 0.309 4.836 4.527 -0.000 0.000 0.302 580 F C 1.117 176.989 175.800 0.120 0.000 1.097 580 F CA -0.199 57.913 58.000 0.187 0.000 1.330 580 F CB 0.429 39.557 39.000 0.214 0.000 1.084 580 F HN 0.500 nan 8.300 nan 0.000 0.578 581 H N 0.317 119.507 119.070 0.200 0.000 2.538 581 H HA 0.287 4.843 4.556 -0.000 0.000 0.353 581 H C -0.600 174.864 175.328 0.226 0.000 1.109 581 H CA -0.510 55.623 56.048 0.142 0.000 1.192 581 H CB 2.187 32.005 29.762 0.093 0.000 1.555 581 H HN -0.135 nan 8.280 nan 0.000 0.518 582 V N 6.834 126.900 119.914 0.253 0.000 2.999 582 V HA 0.110 4.230 4.120 -0.000 0.000 0.307 582 V C -1.764 174.566 176.094 0.393 0.000 1.084 582 V CA -0.850 61.624 62.300 0.289 0.000 1.155 582 V CB 0.930 32.812 31.823 0.098 0.000 0.975 582 V HN 0.756 nan 8.190 nan 0.000 0.490 583 P HA 0.000 nan 4.420 nan 0.000 0.216 583 P CA 0.000 63.021 63.100 -0.132 0.000 0.800 583 P CB 0.000 31.302 31.700 -0.664 0.000 0.726