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 1q57_1_F DATA FIRST_RESID 64 DATA SEQUENCE MTYNVWNFGE SNGRYSALTA RGISKETCQK AGYWIAKVDG VMYQVADYRD DATA SEQUENCE QNGNIVSQKV RDKDKNFKTT GSHKSDALFG KHLWNGGKKI VVTEGEIDML DATA SEQUENCE TVMELQDCKY PVVSLGHGAS AAKKTCAANY EYFDQFEQII LMFDMDEAGR DATA SEQUENCE KAVEEAAQVL PAGKVRVAVL PCKDANECHL NGHDREIMEQ VWNAGPWIPD DATA SEQUENCE GVVSALSLRE RIREHLSSEE SVGLLFSGCT GINDKTLGAR GGEVIMVTSG DATA SEQUENCE SGMVMSTFVR QQALQWGTAM GKKVGLAMLE ESVEETAEDL IGLHNRVRLR DATA SEQUENCE QSDSLKREII ENGKFDQWFD ELFGNDTFHL YDSFXXXETD RLLAKLAYMR DATA SEQUENCE SGLGCDVIIL DHISIVVSAS GESDERKMID NLMTKLKGFA KSTGVVLVVI DATA SEQUENCE CHLKNPDKGK AHEEGRPVSI TDLRGSGALR QLSDTIIALE RNQQGDMPNL DATA SEQUENCE VLVRILKCRF TGDTGIAGYM EYNKETGWLE PSSYSG 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 64 M HA 0.000 nan 4.480 nan 0.000 0.227 64 M C 0.000 176.270 176.300 -0.050 0.000 1.140 64 M CA 0.000 55.282 55.300 -0.031 0.000 0.988 64 M CB 0.000 nan 32.600 nan 0.000 1.302 65 T N -0.672 113.874 114.554 -0.012 0.000 2.910 65 T HA 0.645 4.995 4.350 -0.000 0.000 0.293 65 T C -0.068 174.656 174.700 0.040 0.000 1.015 65 T CA -0.022 62.085 62.100 0.011 0.000 1.094 65 T CB 0.013 68.918 68.868 0.061 0.000 0.968 65 T HN 1.092 nan 8.240 nan 0.000 0.521 66 Y N 3.439 123.760 120.300 0.035 0.000 2.887 66 Y HA -0.035 4.515 4.550 0.000 0.000 0.350 66 Y C 1.395 177.340 175.900 0.075 0.000 1.294 66 Y CA 0.043 58.175 58.100 0.053 0.000 1.622 66 Y CB -0.126 38.352 38.460 0.030 0.000 1.201 66 Y HN 0.643 nan 8.280 nan 0.000 0.546 67 N N 2.238 121.094 118.700 0.260 0.000 2.454 67 N HA 0.036 4.776 4.740 -0.000 0.000 0.254 67 N C -0.714 174.961 175.510 0.274 0.000 1.228 67 N CA -0.218 52.961 53.050 0.214 0.000 0.900 67 N CB 0.637 39.231 38.487 0.178 0.000 1.089 67 N HN 0.318 nan 8.380 nan 0.000 0.449 68 V N 0.813 120.858 119.914 0.219 0.000 2.599 68 V HA -0.011 4.109 4.120 -0.000 0.000 0.300 68 V C 0.296 176.614 176.094 0.373 0.000 1.034 68 V CA -0.586 61.862 62.300 0.246 0.000 1.115 68 V CB -0.177 31.756 31.823 0.183 0.000 0.934 68 V HN 0.462 nan 8.190 nan 0.000 0.485 69 W N 3.529 124.914 121.300 0.141 0.000 2.356 69 W HA 0.324 4.984 4.660 -0.000 0.000 0.311 69 W C 0.628 177.265 176.519 0.197 0.000 1.328 69 W CA -0.966 56.479 57.345 0.167 0.000 1.251 69 W CB -0.454 29.130 29.460 0.206 0.000 1.280 69 W HN 0.617 nan 8.180 nan 0.000 0.524 70 N N 3.082 121.917 118.700 0.226 0.000 2.497 70 N HA 0.087 4.827 4.740 -0.000 0.000 0.271 70 N C -0.696 174.821 175.510 0.011 0.000 1.142 70 N CA -0.674 52.432 53.050 0.094 0.000 0.965 70 N CB 0.508 39.014 38.487 0.032 0.000 1.077 70 N HN 0.166 nan 8.380 nan 0.000 0.462 71 F N 2.447 122.211 119.950 -0.310 0.000 2.506 71 F HA 0.331 4.858 4.527 -0.000 0.000 0.371 71 F C 1.344 176.974 175.800 -0.284 0.000 1.078 71 F CA 0.811 58.467 58.000 -0.575 0.000 1.195 71 F CB -0.106 38.432 39.000 -0.770 0.000 1.099 71 F HN 0.709 nan 8.300 nan 0.000 0.548 72 G N 4.571 113.336 108.800 -0.058 0.000 3.211 72 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.206 72 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.206 72 G C 1.321 176.198 174.900 -0.039 0.000 1.418 72 G CA 0.151 45.283 45.100 0.054 0.000 0.958 72 G HN 0.524 nan 8.290 nan 0.000 0.567 73 E N 1.269 121.440 120.200 -0.048 0.000 2.095 73 E HA -0.140 4.210 4.350 -0.000 0.000 0.212 73 E C 1.421 177.928 176.600 -0.155 0.000 1.044 73 E CA 1.718 58.062 56.400 -0.092 0.000 0.857 73 E CB -0.302 29.341 29.700 -0.095 0.000 0.764 73 E HN 0.724 nan 8.360 nan 0.000 0.462 74 S N 0.721 116.308 115.700 -0.189 0.000 2.499 74 S HA 0.241 4.711 4.470 -0.000 0.000 0.279 74 S C -0.258 174.267 174.600 -0.125 0.000 1.219 74 S CA -0.691 57.367 58.200 -0.238 0.000 1.062 74 S CB 0.744 63.720 63.200 -0.373 0.000 0.978 74 S HN 0.105 nan 8.310 nan 0.000 0.489 75 N N 2.179 120.807 118.700 -0.120 0.000 2.814 75 N HA 0.230 4.970 4.740 -0.000 0.000 0.304 75 N C 0.508 175.947 175.510 -0.119 0.000 1.211 75 N CA -0.333 52.660 53.050 -0.095 0.000 1.158 75 N CB 0.028 38.478 38.487 -0.061 0.000 1.458 75 N HN 0.804 nan 8.380 nan 0.000 0.519 76 G N 1.318 109.931 108.800 -0.311 0.000 2.415 76 G HA2 0.424 4.384 3.960 -0.000 0.000 0.269 76 G HA3 0.424 4.384 3.960 -0.000 0.000 0.269 76 G C -0.125 174.569 174.900 -0.343 0.000 1.209 76 G CA -0.573 44.171 45.100 -0.593 0.000 0.835 76 G HN 0.438 nan 8.290 nan 0.000 0.534 77 R N 0.316 120.768 120.500 -0.079 0.000 2.651 77 R HA 0.239 4.579 4.340 -0.000 0.000 0.278 77 R C -1.724 174.706 176.300 0.217 0.000 1.010 77 R CA -0.859 55.325 56.100 0.139 0.000 0.896 77 R CB 1.972 32.338 30.300 0.110 0.000 1.211 77 R HN 0.495 nan 8.270 nan 0.000 0.456 78 Y N 1.629 122.135 120.300 0.343 0.000 2.751 78 Y HA 0.196 4.746 4.550 -0.000 0.000 0.333 78 Y C 0.488 176.505 175.900 0.196 0.000 1.122 78 Y CA -0.562 57.713 58.100 0.292 0.000 1.367 78 Y CB 0.582 39.197 38.460 0.257 0.000 1.242 78 Y HN 0.519 nan 8.280 nan 0.000 0.505 79 S N 1.173 117.056 115.700 0.305 0.000 2.651 79 S HA 0.878 5.348 4.470 -0.000 0.000 0.291 79 S C -0.029 174.688 174.600 0.196 0.000 1.141 79 S CA -0.916 57.407 58.200 0.204 0.000 1.027 79 S CB 1.709 64.992 63.200 0.138 0.000 1.043 79 S HN 0.601 nan 8.310 nan 0.000 0.530 80 A N 2.076 124.987 122.820 0.152 0.000 2.401 80 A HA 0.512 4.832 4.320 -0.000 0.000 0.259 80 A C 0.143 177.804 177.584 0.128 0.000 1.103 80 A CA -0.715 51.407 52.037 0.140 0.000 0.789 80 A CB -0.417 18.648 19.000 0.109 0.000 1.035 80 A HN 0.891 nan 8.150 nan 0.000 0.491 81 L N 3.628 124.938 121.223 0.144 0.000 2.401 81 L HA 0.140 4.480 4.340 -0.000 0.000 0.283 81 L C 1.673 178.594 176.870 0.086 0.000 1.151 81 L CA 0.024 54.941 54.840 0.128 0.000 0.942 81 L CB -0.148 42.009 42.059 0.163 0.000 1.283 81 L HN 1.004 nan 8.230 nan 0.000 0.442 82 T N -1.905 112.686 114.554 0.063 0.000 2.962 82 T HA -0.111 4.239 4.350 -0.000 0.000 0.270 82 T C 1.729 176.443 174.700 0.023 0.000 1.088 82 T CA 0.821 62.945 62.100 0.041 0.000 1.127 82 T CB 0.116 69.003 68.868 0.031 0.000 0.883 82 T HN 0.573 nan 8.240 nan 0.000 0.493 83 A N 1.421 124.256 122.820 0.025 0.000 2.119 83 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 83 A C 2.246 179.834 177.584 0.007 0.000 1.153 83 A CA 0.350 52.393 52.037 0.009 0.000 0.692 83 A CB -0.116 18.889 19.000 0.009 0.000 0.799 83 A HN 0.353 nan 8.150 nan 0.000 0.458 84 R N -1.806 118.710 120.500 0.027 0.000 2.531 84 R HA 0.200 4.540 4.340 -0.000 0.000 0.316 84 R C 0.912 177.251 176.300 0.064 0.000 0.955 84 R CA 0.551 56.673 56.100 0.037 0.000 1.120 84 R CB -0.275 30.055 30.300 0.051 0.000 1.361 84 R HN 0.693 nan 8.270 nan 0.000 0.534 85 G N 2.385 111.209 108.800 0.040 0.000 2.273 85 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.280 85 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.280 85 G C 0.024 175.065 174.900 0.236 0.000 1.047 85 G CA 0.124 45.269 45.100 0.074 0.000 0.869 85 G HN 0.157 nan 8.290 nan 0.000 0.502 86 I N 1.414 122.076 120.570 0.153 0.000 2.354 86 I HA 0.336 4.506 4.170 -0.000 0.000 0.292 86 I C 1.211 177.401 176.117 0.121 0.000 0.989 86 I CA -0.662 60.717 61.300 0.131 0.000 1.188 86 I CB 1.247 39.309 38.000 0.103 0.000 1.342 86 I HN 0.370 nan 8.210 nan 0.000 0.457 87 S N 5.516 121.281 115.700 0.110 0.000 2.589 87 S HA 0.144 4.614 4.470 -0.000 0.000 0.265 87 S C 1.115 175.780 174.600 0.108 0.000 1.342 87 S CA -0.444 57.816 58.200 0.098 0.000 1.005 87 S CB 1.545 64.793 63.200 0.081 0.000 0.909 87 S HN 0.743 nan 8.310 nan 0.000 0.555 88 K N 0.643 121.105 120.400 0.104 0.000 2.025 88 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 88 K C 2.074 178.733 176.600 0.098 0.000 1.049 88 K CA 1.407 57.768 56.287 0.125 0.000 0.933 88 K CB -0.377 32.195 32.500 0.121 0.000 0.714 88 K HN 0.769 nan 8.250 nan 0.000 0.438 89 E N -0.144 120.096 120.200 0.066 0.000 2.130 89 E HA -0.203 4.146 4.350 -0.000 0.000 0.196 89 E C 1.632 178.241 176.600 0.015 0.000 0.998 89 E CA 1.729 58.146 56.400 0.029 0.000 0.806 89 E CB -0.007 29.710 29.700 0.028 0.000 0.738 89 E HN 0.415 nan 8.360 nan 0.000 0.459 90 T N -0.053 114.530 114.554 0.048 0.000 2.668 90 T HA -0.164 4.186 4.350 -0.000 0.000 0.262 90 T C 1.984 176.726 174.700 0.070 0.000 1.045 90 T CA 1.330 63.462 62.100 0.054 0.000 1.152 90 T CB -0.435 68.474 68.868 0.068 0.000 0.864 90 T HN 0.327 nan 8.240 nan 0.000 0.419 91 C N 1.588 120.968 119.300 0.133 0.000 2.403 91 C HA -0.083 4.377 4.460 -0.000 0.000 0.279 91 C C 2.886 177.937 174.990 0.102 0.000 1.269 91 C CA 0.559 59.722 59.018 0.242 0.000 1.774 91 C CB -1.099 26.858 27.740 0.363 0.000 1.993 91 C HN 0.559 nan 8.230 nan 0.000 0.496 92 Q N 0.716 120.444 119.800 -0.120 0.000 2.124 92 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 92 Q C 2.222 177.992 176.000 -0.383 0.000 0.977 92 Q CA 1.390 56.840 55.803 -0.588 0.000 0.850 92 Q CB -0.039 28.445 28.738 -0.423 0.000 0.901 92 Q HN 0.715 nan 8.270 nan 0.000 0.429 93 K N -0.830 119.478 120.400 -0.153 0.000 2.137 93 K HA 0.054 4.374 4.320 -0.000 0.000 0.202 93 K C 1.913 178.456 176.600 -0.095 0.000 1.052 93 K CA 0.909 57.124 56.287 -0.120 0.000 0.961 93 K CB 0.022 32.467 32.500 -0.092 0.000 0.741 93 K HN 0.036 nan 8.250 nan 0.000 0.452 94 A N 1.158 123.965 122.820 -0.021 0.000 2.072 94 A HA 0.182 4.502 4.320 -0.000 0.000 0.216 94 A C 1.212 178.891 177.584 0.160 0.000 1.156 94 A CA 0.953 52.955 52.037 -0.059 0.000 0.701 94 A CB -0.229 18.762 19.000 -0.016 0.000 0.816 94 A HN 0.426 nan 8.150 nan 0.000 0.458 95 G N -2.052 106.942 108.800 0.323 0.000 2.467 95 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.242 95 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.242 95 G C -0.438 174.932 174.900 0.784 0.000 1.127 95 G CA 0.034 45.458 45.100 0.541 0.000 0.924 95 G HN 0.629 nan 8.290 nan 0.000 0.499 96 Y N 2.575 123.200 120.300 0.541 0.000 2.721 96 Y HA 0.581 5.131 4.550 -0.000 0.000 0.328 96 Y C 0.451 176.679 175.900 0.546 0.000 1.003 96 Y CA -1.905 56.446 58.100 0.418 0.000 1.275 96 Y CB 0.182 38.803 38.460 0.267 0.000 1.097 96 Y HN 0.445 nan 8.280 nan 0.000 0.514 97 W N 5.646 127.050 121.300 0.174 0.000 2.578 97 W HA 0.707 5.367 4.660 -0.000 0.000 0.353 97 W C -1.809 174.614 176.519 -0.159 0.000 1.088 97 W CA -1.834 55.566 57.345 0.093 0.000 1.235 97 W CB 0.638 30.092 29.460 -0.010 0.000 1.362 97 W HN 0.245 nan 8.180 nan 0.000 0.592 98 I N 2.695 123.242 120.570 -0.038 0.000 2.371 98 I HA 0.421 4.591 4.170 -0.000 0.000 0.282 98 I C 0.671 176.707 176.117 -0.134 0.000 1.031 98 I CA -0.425 60.766 61.300 -0.182 0.000 1.180 98 I CB 0.632 38.599 38.000 -0.055 0.000 1.336 98 I HN 0.535 nan 8.210 nan 0.000 0.467 99 A N 6.538 129.183 122.820 -0.292 0.000 2.257 99 A HA 0.904 5.224 4.320 -0.000 0.000 0.290 99 A C -0.062 177.507 177.584 -0.024 0.000 1.201 99 A CA -0.492 51.473 52.037 -0.120 0.000 0.863 99 A CB 0.674 19.577 19.000 -0.161 0.000 1.256 99 A HN 0.627 nan 8.150 nan 0.000 0.506 100 K N 0.097 120.477 120.400 -0.034 0.000 2.762 100 K HA 0.463 4.783 4.320 -0.000 0.000 0.272 100 K C -1.878 174.675 176.600 -0.078 0.000 1.093 100 K CA -0.389 55.909 56.287 0.019 0.000 1.048 100 K CB 0.662 33.174 32.500 0.021 0.000 1.304 100 K HN 0.255 nan 8.250 nan 0.000 0.511 101 V N 1.657 121.483 119.914 -0.147 0.000 2.483 101 V HA 0.168 4.288 4.120 -0.000 0.000 0.295 101 V C 0.335 176.366 176.094 -0.104 0.000 1.035 101 V CA -0.190 61.949 62.300 -0.267 0.000 0.896 101 V CB 1.010 32.467 31.823 -0.610 0.000 0.986 101 V HN 0.909 nan 8.190 nan 0.000 0.447 102 D N 3.212 123.556 120.400 -0.093 0.000 3.039 102 D HA -0.190 4.450 4.640 -0.000 0.000 0.222 102 D C 1.121 177.428 176.300 0.012 0.000 1.179 102 D CA 2.021 56.000 54.000 -0.036 0.000 0.880 102 D CB -0.975 39.807 40.800 -0.029 0.000 1.115 102 D HN 1.285 nan 8.370 nan 0.000 0.416 103 G N -2.782 106.032 108.800 0.023 0.000 2.909 103 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.198 103 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.198 103 G C 0.166 175.098 174.900 0.053 0.000 1.124 103 G CA -0.201 44.917 45.100 0.030 0.000 0.796 103 G HN 0.484 nan 8.290 nan 0.000 0.489 104 V N 2.927 122.916 119.914 0.125 0.000 2.743 104 V HA 0.685 4.805 4.120 -0.000 0.000 0.301 104 V C 0.615 176.811 176.094 0.171 0.000 1.057 104 V CA 0.027 62.381 62.300 0.090 0.000 1.006 104 V CB 1.683 33.504 31.823 -0.004 0.000 1.024 104 V HN 0.571 nan 8.190 nan 0.000 0.473 105 M N 5.398 124.993 119.600 -0.009 0.000 2.061 105 M HA 0.468 4.948 4.480 -0.000 0.000 0.346 105 M C -1.861 174.409 176.300 -0.051 0.000 1.112 105 M CA -0.274 55.049 55.300 0.038 0.000 1.021 105 M CB 0.444 33.029 32.600 -0.025 0.000 1.530 105 M HN 0.583 nan 8.290 nan 0.000 0.437 106 Y N 2.283 122.518 120.300 -0.109 0.000 2.419 106 Y HA 0.406 4.956 4.550 0.000 0.000 0.328 106 Y C -0.041 175.660 175.900 -0.333 0.000 1.162 106 Y CA -0.679 57.308 58.100 -0.187 0.000 1.174 106 Y CB 1.104 39.495 38.460 -0.114 0.000 1.228 106 Y HN 0.578 nan 8.280 nan 0.000 0.473 107 Q N 1.635 121.271 119.800 -0.273 0.000 2.331 107 Q HA 0.548 4.888 4.340 -0.000 0.000 0.257 107 Q C -1.492 174.119 176.000 -0.648 0.000 0.957 107 Q CA -0.544 54.961 55.803 -0.496 0.000 0.923 107 Q CB 0.844 29.336 28.738 -0.410 0.000 1.212 107 Q HN 0.545 nan 8.270 nan 0.000 0.443 108 V N 2.092 121.453 119.914 -0.923 0.000 2.398 108 V HA 0.724 4.844 4.120 -0.000 0.000 0.286 108 V C -0.263 175.480 176.094 -0.586 0.000 1.026 108 V CA -0.974 60.787 62.300 -0.898 0.000 0.868 108 V CB 1.298 32.235 31.823 -1.476 0.000 0.982 108 V HN 0.790 nan 8.190 nan 0.000 0.443 109 A N 2.965 125.665 122.820 -0.201 0.000 2.276 109 A HA 0.674 4.994 4.320 -0.000 0.000 0.316 109 A C -0.565 177.173 177.584 0.258 0.000 1.229 109 A CA -0.484 51.584 52.037 0.051 0.000 0.851 109 A CB 0.476 19.398 19.000 -0.129 0.000 1.165 109 A HN 0.760 nan 8.150 nan 0.000 0.513 110 D N 1.817 122.484 120.400 0.445 0.000 2.359 110 D HA 0.367 5.007 4.640 -0.000 0.000 0.230 110 D C -1.171 175.398 176.300 0.447 0.000 1.118 110 D CA 0.555 54.845 54.000 0.483 0.000 0.844 110 D CB 0.438 41.541 40.800 0.506 0.000 1.059 110 D HN 0.405 nan 8.370 nan 0.000 0.493 111 Y N 2.760 123.257 120.300 0.328 0.000 2.383 111 Y HA 0.283 4.833 4.550 -0.000 0.000 0.344 111 Y C 1.038 177.030 175.900 0.154 0.000 0.986 111 Y CA -0.417 57.867 58.100 0.306 0.000 1.175 111 Y CB 0.714 39.360 38.460 0.310 0.000 1.152 111 Y HN 0.040 nan 8.280 nan 0.000 0.511 112 R N 1.407 122.003 120.500 0.161 0.000 2.832 112 R HA 0.469 4.809 4.340 -0.000 0.000 0.271 112 R C -0.973 175.348 176.300 0.035 0.000 0.996 112 R CA -1.203 54.895 56.100 -0.003 0.000 0.977 112 R CB 1.184 31.284 30.300 -0.333 0.000 1.168 112 R HN 0.523 nan 8.270 nan 0.000 0.482 113 D N 0.399 120.808 120.400 0.015 0.000 2.433 113 D HA -0.020 4.620 4.640 -0.000 0.000 0.255 113 D C 0.581 176.895 176.300 0.024 0.000 1.226 113 D CA -0.569 53.441 54.000 0.016 0.000 1.015 113 D CB 0.491 41.300 40.800 0.014 0.000 1.091 113 D HN 0.490 nan 8.370 nan 0.000 0.527 114 Q N -0.918 118.893 119.800 0.018 0.000 2.439 114 Q HA -0.123 4.217 4.340 -0.000 0.000 0.211 114 Q C 1.146 177.180 176.000 0.056 0.000 0.978 114 Q CA 0.578 56.414 55.803 0.054 0.000 0.897 114 Q CB -0.186 28.592 28.738 0.067 0.000 0.956 114 Q HN 0.487 nan 8.270 nan 0.000 0.483 115 N N -1.107 117.612 118.700 0.031 0.000 2.422 115 N HA -0.049 4.691 4.740 -0.000 0.000 0.181 115 N C 1.012 176.526 175.510 0.006 0.000 1.080 115 N CA 0.871 53.934 53.050 0.021 0.000 0.893 115 N CB 0.713 39.209 38.487 0.014 0.000 0.973 115 N HN 0.387 nan 8.380 nan 0.000 0.456 116 G N 0.336 109.128 108.800 -0.013 0.000 2.307 116 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.210 116 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.210 116 G C 0.019 174.847 174.900 -0.121 0.000 1.005 116 G CA -0.403 44.656 45.100 -0.069 0.000 0.634 116 G HN 0.283 nan 8.290 nan 0.000 0.496 117 N N 0.842 119.503 118.700 -0.064 0.000 2.444 117 N HA 0.507 5.247 4.740 -0.000 0.000 0.255 117 N C 0.557 176.039 175.510 -0.047 0.000 1.255 117 N CA -0.103 52.918 53.050 -0.048 0.000 0.933 117 N CB 0.516 38.998 38.487 -0.009 0.000 1.143 117 N HN 0.365 nan 8.380 nan 0.000 0.453 118 I N 1.538 122.103 120.570 -0.009 0.000 2.337 118 I HA 0.039 4.208 4.170 -0.000 0.000 0.291 118 I C 0.784 176.952 176.117 0.084 0.000 1.046 118 I CA -0.316 61.013 61.300 0.049 0.000 1.324 118 I CB 0.599 38.651 38.000 0.086 0.000 1.409 118 I HN 0.273 nan 8.210 nan 0.000 0.494 119 V N 3.574 123.556 119.914 0.114 0.000 3.565 119 V HA 0.099 4.219 4.120 -0.000 0.000 0.260 119 V C 0.592 176.771 176.094 0.142 0.000 1.231 119 V CA 0.290 62.658 62.300 0.112 0.000 1.100 119 V CB -0.445 31.436 31.823 0.097 0.000 0.807 119 V HN 0.893 nan 8.190 nan 0.000 0.454 120 S N -0.984 114.830 115.700 0.190 0.000 2.595 120 S HA 0.680 5.150 4.470 -0.000 0.000 0.270 120 S C -1.375 173.334 174.600 0.181 0.000 1.145 120 S CA -0.803 57.496 58.200 0.165 0.000 0.825 120 S CB 2.558 65.880 63.200 0.205 0.000 1.107 120 S HN 0.133 nan 8.310 nan 0.000 0.461 121 Q N 0.050 119.867 119.800 0.028 0.000 2.372 121 Q HA 0.562 4.902 4.340 -0.000 0.000 0.273 121 Q C -1.616 174.260 176.000 -0.206 0.000 1.078 121 Q CA -0.518 55.289 55.803 0.007 0.000 0.806 121 Q CB 2.272 30.969 28.738 -0.068 0.000 1.332 121 Q HN 0.599 nan 8.270 nan 0.000 0.435 122 K N 2.098 122.433 120.400 -0.107 0.000 2.367 122 K HA 0.471 4.791 4.320 -0.000 0.000 0.263 122 K C -1.272 175.215 176.600 -0.188 0.000 1.000 122 K CA -0.417 55.770 56.287 -0.166 0.000 0.891 122 K CB 1.305 33.781 32.500 -0.039 0.000 1.117 122 K HN 0.373 nan 8.250 nan 0.000 0.443 123 V N 3.447 123.173 119.914 -0.314 0.000 2.630 123 V HA 0.489 4.609 4.120 -0.000 0.000 0.305 123 V C -0.192 175.684 176.094 -0.364 0.000 1.046 123 V CA -0.938 61.091 62.300 -0.452 0.000 0.934 123 V CB 1.513 32.842 31.823 -0.824 0.000 1.003 123 V HN 0.750 nan 8.190 nan 0.000 0.451 124 R N 1.892 122.155 120.500 -0.396 0.000 2.740 124 R HA 0.756 5.096 4.340 -0.000 0.000 0.282 124 R C -1.250 174.807 176.300 -0.405 0.000 0.969 124 R CA -0.635 55.137 56.100 -0.546 0.000 0.918 124 R CB 1.613 31.566 30.300 -0.579 0.000 1.175 124 R HN 0.780 nan 8.270 nan 0.000 0.464 125 D N 1.778 121.888 120.400 -0.484 0.000 2.340 125 D HA 0.219 4.858 4.640 -0.000 0.000 0.240 125 D C 0.415 176.483 176.300 -0.387 0.000 1.001 125 D CA -0.880 52.779 54.000 -0.568 0.000 0.888 125 D CB 1.376 41.704 40.800 -0.786 0.000 1.310 125 D HN 0.737 nan 8.370 nan 0.000 0.474 126 K N 2.225 122.426 120.400 -0.331 0.000 2.056 126 K HA -0.357 3.963 4.320 -0.000 0.000 0.225 126 K C 0.538 177.030 176.600 -0.180 0.000 1.053 126 K CA 2.469 58.625 56.287 -0.218 0.000 0.966 126 K CB -1.440 30.952 32.500 -0.180 0.000 0.735 126 K HN 0.511 nan 8.250 nan 0.000 0.455 127 D N 1.093 121.392 120.400 -0.169 0.000 2.384 127 D HA -0.020 4.620 4.640 -0.000 0.000 0.222 127 D C -0.034 176.206 176.300 -0.100 0.000 0.976 127 D CA 0.845 54.777 54.000 -0.114 0.000 0.915 127 D CB -0.033 40.712 40.800 -0.092 0.000 0.896 127 D HN 0.421 nan 8.370 nan 0.000 0.523 128 K N -1.066 119.246 120.400 -0.146 0.000 3.237 128 K HA -0.089 4.231 4.320 -0.000 0.000 0.258 128 K C -0.763 175.796 176.600 -0.068 0.000 1.283 128 K CA -0.122 56.098 56.287 -0.111 0.000 0.770 128 K CB -1.196 31.284 32.500 -0.034 0.000 1.707 128 K HN 0.095 nan 8.250 nan 0.000 0.542 129 N N -0.361 118.241 118.700 -0.162 0.000 2.530 129 N HA 0.706 5.446 4.740 -0.000 0.000 0.283 129 N C -0.442 174.926 175.510 -0.236 0.000 1.238 129 N CA -0.080 52.928 53.050 -0.071 0.000 0.971 129 N CB 0.589 39.034 38.487 -0.070 0.000 1.195 129 N HN 0.005 nan 8.380 nan 0.000 0.583 130 F N -0.231 119.665 119.950 -0.091 0.000 2.790 130 F HA 0.549 5.076 4.527 -0.000 0.000 0.337 130 F C -0.581 175.124 175.800 -0.158 0.000 1.163 130 F CA -0.557 57.365 58.000 -0.130 0.000 0.997 130 F CB 1.390 40.303 39.000 -0.146 0.000 1.437 130 F HN 0.112 nan 8.300 nan 0.000 0.512 131 K N 0.253 120.653 120.400 -0.001 0.000 2.575 131 K HA 0.307 4.626 4.320 -0.000 0.000 0.271 131 K C -1.421 174.962 176.600 -0.361 0.000 1.013 131 K CA -0.369 55.764 56.287 -0.257 0.000 0.939 131 K CB 1.802 34.095 32.500 -0.346 0.000 1.328 131 K HN 0.577 nan 8.250 nan 0.000 0.450 132 T N 1.403 115.733 114.554 -0.372 0.000 2.756 132 T HA 0.416 4.766 4.350 -0.000 0.000 0.290 132 T C -0.077 174.429 174.700 -0.324 0.000 0.985 132 T CA -0.275 61.603 62.100 -0.370 0.000 0.955 132 T CB 0.586 69.240 68.868 -0.356 0.000 0.930 132 T HN 0.543 nan 8.240 nan 0.000 0.451 133 T N 2.602 116.975 114.554 -0.300 0.000 2.927 133 T HA 0.728 5.078 4.350 -0.000 0.000 0.281 133 T C 1.018 175.715 174.700 -0.005 0.000 0.998 133 T CA 0.594 62.617 62.100 -0.128 0.000 1.019 133 T CB 0.756 69.529 68.868 -0.158 0.000 1.061 133 T HN 1.649 nan 8.240 nan 0.000 0.518 134 G N 1.568 110.422 108.800 0.091 0.000 2.562 134 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.250 134 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.250 134 G C -0.185 174.775 174.900 0.099 0.000 1.269 134 G CA -0.136 45.025 45.100 0.102 0.000 0.919 134 G HN 1.431 nan 8.290 nan 0.000 0.574 135 S N 0.010 115.772 115.700 0.103 0.000 2.622 135 S HA 0.455 4.925 4.470 -0.000 0.000 0.283 135 S C -0.466 174.215 174.600 0.136 0.000 1.197 135 S CA -0.364 57.899 58.200 0.105 0.000 1.146 135 S CB 1.172 64.419 63.200 0.079 0.000 1.007 135 S HN 0.774 nan 8.310 nan 0.000 0.478 136 H N 3.660 122.730 119.070 0.001 0.000 3.216 136 H HA 0.215 4.771 4.556 -0.000 0.000 0.263 136 H C 0.533 175.907 175.328 0.077 0.000 1.601 136 H CA 0.078 56.108 56.048 -0.029 0.000 1.509 136 H CB -0.195 29.506 29.762 -0.103 0.000 1.759 136 H HN 0.355 nan 8.280 nan 0.000 0.533 137 K N 1.429 121.825 120.400 -0.007 0.000 2.336 137 K HA 0.005 4.325 4.320 -0.000 0.000 0.262 137 K C 1.133 177.722 176.600 -0.018 0.000 0.992 137 K CA 0.107 56.391 56.287 -0.005 0.000 0.927 137 K CB 0.827 33.326 32.500 -0.001 0.000 0.956 137 K HN 0.515 nan 8.250 nan 0.000 0.495 138 S N 1.166 116.834 115.700 -0.054 0.000 2.537 138 S HA -0.119 4.351 4.470 -0.000 0.000 0.240 138 S C 0.833 175.404 174.600 -0.049 0.000 0.981 138 S CA 1.177 59.300 58.200 -0.129 0.000 0.948 138 S CB -0.231 62.898 63.200 -0.117 0.000 0.759 138 S HN 0.655 nan 8.310 nan 0.000 0.531 139 D N 0.704 121.098 120.400 -0.009 0.000 2.501 139 D HA 0.265 4.905 4.640 -0.000 0.000 0.224 139 D C 0.188 176.490 176.300 0.003 0.000 1.202 139 D CA -0.349 53.657 54.000 0.010 0.000 0.829 139 D CB -0.139 40.661 40.800 0.000 0.000 1.023 139 D HN 0.169 nan 8.370 nan 0.000 0.499 140 A N 0.984 123.793 122.820 -0.017 0.000 2.488 140 A HA 0.436 4.756 4.320 -0.000 0.000 0.249 140 A C -0.152 177.508 177.584 0.126 0.000 1.083 140 A CA 0.009 52.020 52.037 -0.044 0.000 0.768 140 A CB 0.250 18.936 19.000 -0.524 0.000 1.017 140 A HN 0.443 nan 8.150 nan 0.000 0.496 141 L N 2.907 124.258 121.223 0.214 0.000 2.406 141 L HA 0.352 4.692 4.340 -0.000 0.000 0.272 141 L C -0.991 176.051 176.870 0.286 0.000 0.980 141 L CA -0.532 54.453 54.840 0.241 0.000 0.831 141 L CB 1.800 43.878 42.059 0.032 0.000 1.253 141 L HN 0.843 nan 8.230 nan 0.000 0.406 142 F N 3.345 123.347 119.950 0.086 0.000 2.444 142 F HA 0.569 5.096 4.527 -0.000 0.000 0.360 142 F C 0.943 176.705 175.800 -0.063 0.000 1.106 142 F CA 0.608 58.400 58.000 -0.347 0.000 1.170 142 F CB 0.892 39.459 39.000 -0.722 0.000 1.113 142 F HN 0.712 nan 8.300 nan 0.000 0.521 143 G N 5.273 113.706 108.800 -0.612 0.000 2.253 143 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.209 143 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.209 143 G C 1.414 176.151 174.900 -0.272 0.000 0.997 143 G CA 0.229 45.009 45.100 -0.533 0.000 0.640 143 G HN 0.801 nan 8.290 nan 0.000 0.496 144 K N 1.101 121.457 120.400 -0.072 0.000 2.144 144 K HA -0.279 4.041 4.320 -0.000 0.000 0.209 144 K C 2.102 178.661 176.600 -0.069 0.000 1.047 144 K CA 2.422 58.675 56.287 -0.057 0.000 0.927 144 K CB -0.483 31.831 32.500 -0.310 0.000 0.716 144 K HN 0.838 nan 8.250 nan 0.000 0.454 145 H N -0.768 118.192 119.070 -0.184 0.000 2.546 145 H HA 0.047 4.603 4.556 0.000 0.000 0.277 145 H C 1.796 176.971 175.328 -0.254 0.000 1.004 145 H CA 0.867 56.822 56.048 -0.156 0.000 1.231 145 H CB -0.158 29.527 29.762 -0.128 0.000 1.382 145 H HN 0.176 nan 8.280 nan 0.000 0.580 146 L N -0.922 119.694 121.223 -1.013 0.000 2.179 146 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 146 L C 0.029 176.345 176.870 -0.924 0.000 1.096 146 L CA 0.233 54.288 54.840 -1.308 0.000 0.779 146 L CB -0.132 40.650 42.059 -2.128 0.000 0.922 146 L HN 0.327 nan 8.230 nan 0.000 0.443 147 W N -0.636 120.712 121.300 0.079 0.000 2.656 147 W HA 0.459 5.119 4.660 0.000 0.000 0.327 147 W C -0.550 176.124 176.519 0.259 0.000 1.041 147 W CA -0.623 56.844 57.345 0.204 0.000 1.229 147 W CB 0.584 30.241 29.460 0.329 0.000 1.397 147 W HN -0.250 nan 8.180 nan 0.000 0.479 148 N N 2.260 121.134 118.700 0.290 0.000 2.690 148 N HA 0.572 5.312 4.740 -0.000 0.000 0.255 148 N C -0.236 175.227 175.510 -0.079 0.000 1.195 148 N CA 0.236 53.335 53.050 0.082 0.000 0.790 148 N CB 1.155 39.686 38.487 0.074 0.000 1.216 148 N HN 0.886 nan 8.380 nan 0.000 0.528 149 G N 0.350 108.891 108.800 -0.431 0.000 2.603 149 G HA2 0.431 4.391 3.960 -0.000 0.000 0.686 149 G HA3 0.431 4.391 3.960 -0.000 0.000 0.686 149 G C -0.293 174.498 174.900 -0.181 0.000 1.286 149 G CA -0.467 44.301 45.100 -0.552 0.000 0.871 149 G HN 0.896 nan 8.290 nan 0.000 0.568 150 G N -1.180 107.612 108.800 -0.013 0.000 2.361 150 G HA2 0.517 4.477 3.960 -0.000 0.000 0.305 150 G HA3 0.517 4.477 3.960 -0.000 0.000 0.305 150 G C 0.202 175.264 174.900 0.271 0.000 1.367 150 G CA 0.434 45.711 45.100 0.296 0.000 0.951 150 G HN 0.883 nan 8.290 nan 0.000 0.615 151 K N -0.477 120.037 120.400 0.189 0.000 2.418 151 K HA 0.140 4.460 4.320 -0.000 0.000 0.195 151 K C 0.501 177.154 176.600 0.089 0.000 1.035 151 K CA 0.783 57.138 56.287 0.113 0.000 1.003 151 K CB 0.088 32.626 32.500 0.063 0.000 0.793 151 K HN 0.406 nan 8.250 nan 0.000 0.494 152 K N 0.886 121.326 120.400 0.066 0.000 2.578 152 K HA 0.185 4.505 4.320 -0.000 0.000 0.263 152 K C -2.107 174.328 176.600 -0.275 0.000 0.973 152 K CA -0.311 55.931 56.287 -0.075 0.000 0.909 152 K CB 1.246 33.701 32.500 -0.075 0.000 1.326 152 K HN -0.032 nan 8.250 nan 0.000 0.440 153 I N 5.230 125.539 120.570 -0.435 0.000 2.439 153 I HA 0.306 4.476 4.170 -0.000 0.000 0.285 153 I C -0.707 175.187 176.117 -0.372 0.000 1.021 153 I CA -0.891 60.029 61.300 -0.633 0.000 1.091 153 I CB 1.599 38.823 38.000 -1.294 0.000 1.242 153 I HN 0.328 nan 8.210 nan 0.000 0.439 154 V N 7.803 127.541 119.914 -0.293 0.000 2.686 154 V HA 0.218 4.338 4.120 -0.000 0.000 0.295 154 V C 0.033 176.065 176.094 -0.103 0.000 1.055 154 V CA -0.228 61.965 62.300 -0.179 0.000 1.050 154 V CB 1.513 33.252 31.823 -0.141 0.000 0.984 154 V HN 0.476 nan 8.190 nan 0.000 0.482 155 V N 4.484 124.378 119.914 -0.034 0.000 2.443 155 V HA 0.470 4.590 4.120 -0.000 0.000 0.293 155 V C 0.204 176.443 176.094 0.243 0.000 1.021 155 V CA -0.365 62.003 62.300 0.113 0.000 0.848 155 V CB 2.162 34.033 31.823 0.080 0.000 0.998 155 V HN 1.075 nan 8.190 nan 0.000 0.424 156 T N 0.218 114.894 114.554 0.203 0.000 2.945 156 T HA 0.450 4.800 4.350 -0.000 0.000 0.286 156 T C 0.927 175.665 174.700 0.063 0.000 1.025 156 T CA -0.238 61.969 62.100 0.179 0.000 1.039 156 T CB 2.136 71.068 68.868 0.107 0.000 1.068 156 T HN 0.652 nan 8.240 nan 0.000 0.497 157 E N 1.769 121.940 120.200 -0.048 0.000 2.023 157 E HA 0.069 4.419 4.350 -0.000 0.000 0.196 157 E C 0.960 177.515 176.600 -0.076 0.000 1.003 157 E CA 1.573 57.837 56.400 -0.226 0.000 0.809 157 E CB -0.651 28.938 29.700 -0.186 0.000 0.755 157 E HN 0.891 nan 8.360 nan 0.000 0.449 158 G N -1.513 107.285 108.800 -0.004 0.000 2.816 158 G HA2 0.256 4.216 3.960 -0.000 0.000 0.288 158 G HA3 0.256 4.216 3.960 -0.000 0.000 0.288 158 G C -0.373 174.554 174.900 0.045 0.000 1.334 158 G CA -0.227 44.890 45.100 0.028 0.000 0.978 158 G HN 0.127 nan 8.290 nan 0.000 0.493 159 E N -0.561 119.632 120.200 -0.012 0.000 2.072 159 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 159 E C 2.375 178.893 176.600 -0.136 0.000 0.985 159 E CA 0.696 57.017 56.400 -0.132 0.000 0.801 159 E CB 0.045 29.441 29.700 -0.507 0.000 0.750 159 E HN 0.371 nan 8.360 nan 0.000 0.452 160 I N 1.540 122.012 120.570 -0.163 0.000 2.286 160 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 160 I C 1.582 177.667 176.117 -0.054 0.000 1.115 160 I CA 1.373 62.573 61.300 -0.166 0.000 1.392 160 I CB -0.670 37.268 38.000 -0.103 0.000 1.065 160 I HN 0.172 nan 8.210 nan 0.000 0.418 161 D N 0.378 120.773 120.400 -0.007 0.000 2.144 161 D HA -0.180 4.460 4.640 -0.000 0.000 0.200 161 D C 2.172 178.493 176.300 0.035 0.000 0.978 161 D CA 0.866 54.877 54.000 0.019 0.000 0.833 161 D CB -0.023 40.796 40.800 0.031 0.000 0.961 161 D HN 0.194 nan 8.370 nan 0.000 0.470 162 M N 1.121 120.767 119.600 0.077 0.000 2.082 162 M HA -0.179 4.301 4.480 -0.000 0.000 0.258 162 M C 2.152 178.504 176.300 0.087 0.000 1.071 162 M CA 1.175 56.544 55.300 0.115 0.000 1.103 162 M CB -0.740 32.002 32.600 0.236 0.000 1.307 162 M HN 0.005 nan 8.290 nan 0.000 0.409 163 L N -0.294 120.978 121.223 0.081 0.000 2.137 163 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 163 L C 2.239 179.113 176.870 0.007 0.000 1.085 163 L CA 2.113 56.977 54.840 0.039 0.000 0.760 163 L CB -1.776 40.258 42.059 -0.041 0.000 0.893 163 L HN 0.409 nan 8.230 nan 0.000 0.434 164 T N -0.532 114.013 114.554 -0.014 0.000 2.701 164 T HA -0.122 4.228 4.350 -0.000 0.000 0.263 164 T C 2.049 176.685 174.700 -0.107 0.000 1.040 164 T CA 1.131 63.186 62.100 -0.074 0.000 1.147 164 T CB -0.246 68.595 68.868 -0.046 0.000 0.865 164 T HN 0.069 nan 8.240 nan 0.000 0.426 165 V N 1.804 121.684 119.914 -0.058 0.000 2.490 165 V HA -0.078 4.042 4.120 -0.000 0.000 0.250 165 V C 2.374 178.449 176.094 -0.031 0.000 1.061 165 V CA 1.209 63.472 62.300 -0.062 0.000 1.064 165 V CB -0.563 31.229 31.823 -0.052 0.000 0.670 165 V HN 0.504 nan 8.190 nan 0.000 0.461 166 M N -1.058 118.544 119.600 0.003 0.000 2.700 166 M HA -0.071 4.409 4.480 -0.000 0.000 0.249 166 M C 1.781 178.100 176.300 0.031 0.000 1.082 166 M CA 1.207 56.536 55.300 0.048 0.000 1.077 166 M CB -0.274 32.376 32.600 0.083 0.000 1.477 166 M HN 0.447 nan 8.290 nan 0.000 0.529 167 E N 0.161 120.348 120.200 -0.022 0.000 2.176 167 E HA 0.107 4.457 4.350 -0.000 0.000 0.194 167 E C 1.928 178.508 176.600 -0.034 0.000 0.947 167 E CA 0.214 56.594 56.400 -0.033 0.000 0.960 167 E CB -0.154 29.483 29.700 -0.106 0.000 1.002 167 E HN 0.369 nan 8.360 nan 0.000 0.479 168 L N 1.289 122.440 121.223 -0.121 0.000 2.302 168 L HA -0.252 4.087 4.340 -0.000 0.000 0.218 168 L C 1.982 178.859 176.870 0.012 0.000 1.100 168 L CA 1.381 56.171 54.840 -0.083 0.000 0.774 168 L CB -0.477 41.500 42.059 -0.137 0.000 0.896 168 L HN 0.154 nan 8.230 nan 0.000 0.439 169 Q N -1.091 118.735 119.800 0.044 0.000 2.247 169 Q HA 0.011 4.351 4.340 -0.000 0.000 0.211 169 Q C -0.156 175.926 176.000 0.137 0.000 0.861 169 Q CA -0.052 55.832 55.803 0.135 0.000 0.949 169 Q CB 0.541 29.391 28.738 0.187 0.000 1.115 169 Q HN 0.248 nan 8.270 nan 0.000 0.507 170 D N -0.577 119.871 120.400 0.080 0.000 2.800 170 D HA -0.190 4.450 4.640 -0.000 0.000 0.232 170 D C -0.477 175.856 176.300 0.056 0.000 1.137 170 D CA 0.551 54.590 54.000 0.064 0.000 0.718 170 D CB -1.678 39.164 40.800 0.069 0.000 1.084 170 D HN 0.492 nan 8.370 nan 0.000 0.432 171 C N -1.352 117.991 119.300 0.072 0.000 4.104 171 C HA -0.262 4.197 4.460 -0.000 0.000 0.295 171 C C 1.733 176.775 174.990 0.087 0.000 1.491 171 C CA 1.212 60.292 59.018 0.103 0.000 2.053 171 C CB -2.098 25.689 27.740 0.078 0.000 1.287 171 C HN 0.592 nan 8.230 nan 0.000 0.771 172 K N -1.669 118.717 120.400 -0.022 0.000 2.374 172 K HA 0.232 4.552 4.320 -0.000 0.000 0.196 172 K C 0.104 176.256 176.600 -0.747 0.000 1.023 172 K CA 0.685 56.774 56.287 -0.330 0.000 1.103 172 K CB 0.382 32.607 32.500 -0.458 0.000 0.848 172 K HN 0.681 nan 8.250 nan 0.000 0.528 173 Y N -0.401 119.868 120.300 -0.051 0.000 2.669 173 Y HA 0.338 4.888 4.550 -0.000 0.000 0.335 173 Y C -2.606 172.765 175.900 -0.881 0.000 1.116 173 Y CA -2.962 54.971 58.100 -0.278 0.000 1.081 173 Y CB 1.296 39.652 38.460 -0.173 0.000 1.297 173 Y HN -0.238 nan 8.280 nan 0.000 0.484 174 P HA 0.401 nan 4.420 nan 0.000 0.290 174 P C -1.594 175.036 177.300 -1.117 0.000 1.276 174 P CA -0.382 61.477 63.100 -2.069 0.000 0.808 174 P CB 1.197 31.975 31.700 -1.536 0.000 0.966 175 V N 2.606 122.029 119.914 -0.818 0.000 2.760 175 V HA 0.764 4.884 4.120 -0.000 0.000 0.309 175 V C 0.010 176.197 176.094 0.155 0.000 1.077 175 V CA -1.034 61.153 62.300 -0.187 0.000 0.910 175 V CB 1.851 33.644 31.823 -0.049 0.000 1.008 175 V HN 0.444 nan 8.190 nan 0.000 0.424 176 V N 0.090 120.106 119.914 0.169 0.000 3.130 176 V HA 1.015 5.135 4.120 -0.000 0.000 0.310 176 V C -0.207 176.027 176.094 0.234 0.000 1.158 176 V CA -0.326 62.121 62.300 0.245 0.000 1.029 176 V CB 1.934 33.968 31.823 0.351 0.000 1.057 176 V HN 1.334 nan 8.190 nan 0.000 0.436 177 S N 2.199 118.063 115.700 0.274 0.000 2.566 177 S HA 0.706 5.176 4.470 -0.000 0.000 0.298 177 S C -0.424 174.350 174.600 0.289 0.000 1.083 177 S CA -0.858 57.507 58.200 0.275 0.000 0.978 177 S CB 1.486 64.865 63.200 0.299 0.000 1.073 177 S HN 0.950 nan 8.310 nan 0.000 0.491 178 L N 3.315 124.652 121.223 0.190 0.000 2.490 178 L HA 0.206 4.546 4.340 -0.000 0.000 0.274 178 L C 1.894 178.884 176.870 0.201 0.000 1.201 178 L CA 0.220 55.158 54.840 0.163 0.000 0.869 178 L CB 0.206 42.262 42.059 -0.005 0.000 1.123 178 L HN 1.111 nan 8.230 nan 0.000 0.484 179 G N 1.899 110.816 108.800 0.194 0.000 2.408 179 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 179 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 179 G C 1.048 175.739 174.900 -0.349 0.000 1.150 179 G CA 0.345 45.434 45.100 -0.019 0.000 0.776 179 G HN 0.847 nan 8.290 nan 0.000 0.542 180 H N -0.425 118.648 119.070 0.006 0.000 3.052 180 H HA 0.230 4.786 4.556 -0.000 0.000 0.257 180 H C 2.075 177.372 175.328 -0.052 0.000 1.193 180 H CA -0.204 55.828 56.048 -0.026 0.000 1.072 180 H CB 0.492 30.230 29.762 -0.039 0.000 1.685 180 H HN 0.352 nan 8.280 nan 0.000 0.630 181 G N 2.552 111.378 108.800 0.043 0.000 2.787 181 G HA2 -0.523 3.437 3.960 -0.000 0.000 0.374 181 G HA3 -0.523 3.437 3.960 -0.000 0.000 0.374 181 G C 1.581 176.410 174.900 -0.118 0.000 1.003 181 G CA 2.474 47.531 45.100 -0.070 0.000 0.833 181 G HN 0.590 nan 8.290 nan 0.000 0.824 182 A N -1.092 121.652 122.820 -0.126 0.000 2.459 182 A HA -0.318 4.002 4.320 -0.000 0.000 0.260 182 A C 2.755 180.297 177.584 -0.070 0.000 2.445 182 A CA 4.531 56.507 52.037 -0.101 0.000 1.030 182 A CB -1.517 17.444 19.000 -0.066 0.000 0.575 182 A HN 1.916 nan 8.150 nan 0.000 0.466 183 S N -0.629 115.050 115.700 -0.035 0.000 2.425 183 S HA 0.373 4.843 4.470 -0.000 0.000 0.225 183 S C 1.585 176.181 174.600 -0.006 0.000 1.024 183 S CA 0.898 59.088 58.200 -0.017 0.000 0.951 183 S CB -0.331 62.858 63.200 -0.017 0.000 0.796 183 S HN 1.518 nan 8.310 nan 0.000 0.498 184 A N 1.140 123.960 122.820 -0.000 0.000 2.648 184 A HA 0.774 5.094 4.320 -0.000 0.000 0.269 184 A C 1.722 179.325 177.584 0.032 0.000 1.392 184 A CA 0.325 52.363 52.037 0.002 0.000 1.019 184 A CB -0.933 18.055 19.000 -0.020 0.000 1.009 184 A HN 0.492 nan 8.150 nan 0.000 0.565 185 A N 0.667 123.507 122.820 0.034 0.000 1.873 185 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 185 A C 2.054 179.710 177.584 0.121 0.000 1.186 185 A CA 1.918 54.003 52.037 0.081 0.000 0.616 185 A CB -0.330 18.739 19.000 0.115 0.000 0.823 185 A HN 0.534 nan 8.150 nan 0.000 0.442 186 K N -0.137 120.316 120.400 0.088 0.000 2.009 186 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 186 K C 2.240 178.891 176.600 0.084 0.000 1.049 186 K CA 1.920 58.257 56.287 0.084 0.000 0.929 186 K CB -0.176 32.357 32.500 0.054 0.000 0.714 186 K HN 0.363 nan 8.250 nan 0.000 0.440 187 K N -0.384 120.046 120.400 0.050 0.000 1.984 187 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 187 K C 2.196 178.832 176.600 0.060 0.000 1.046 187 K CA 1.921 58.227 56.287 0.031 0.000 0.934 187 K CB -0.411 32.073 32.500 -0.027 0.000 0.717 187 K HN 0.181 nan 8.250 nan 0.000 0.438 188 T N 0.698 115.293 114.554 0.067 0.000 2.721 188 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 188 T C 1.954 176.775 174.700 0.201 0.000 1.038 188 T CA 1.449 63.621 62.100 0.121 0.000 1.145 188 T CB -0.259 68.710 68.868 0.168 0.000 0.858 188 T HN 0.346 nan 8.240 nan 0.000 0.459 189 C N 0.803 120.247 119.300 0.241 0.000 2.489 189 C HA 0.227 4.687 4.460 -0.000 0.000 0.279 189 C C 3.137 178.328 174.990 0.334 0.000 1.266 189 C CA 0.457 59.692 59.018 0.362 0.000 1.707 189 C CB -1.262 26.660 27.740 0.303 0.000 2.059 189 C HN 0.661 nan 8.230 nan 0.000 0.481 190 A N 0.140 123.101 122.820 0.235 0.000 2.070 190 A HA 0.113 4.433 4.320 -0.000 0.000 0.220 190 A C 2.205 179.903 177.584 0.190 0.000 1.159 190 A CA 1.719 53.888 52.037 0.220 0.000 0.656 190 A CB -0.666 18.414 19.000 0.132 0.000 0.800 190 A HN 0.627 nan 8.150 nan 0.000 0.453 191 A N -0.518 122.392 122.820 0.150 0.000 2.125 191 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 191 A C 1.473 179.132 177.584 0.125 0.000 1.156 191 A CA 1.472 53.573 52.037 0.107 0.000 0.671 191 A CB -0.264 18.777 19.000 0.068 0.000 0.794 191 A HN 0.470 nan 8.150 nan 0.000 0.459 192 N N -2.390 116.423 118.700 0.188 0.000 2.197 192 N HA 0.103 4.843 4.740 -0.000 0.000 0.228 192 N C 0.621 176.286 175.510 0.258 0.000 1.212 192 N CA -0.240 52.893 53.050 0.139 0.000 0.883 192 N CB -0.008 38.446 38.487 -0.054 0.000 1.107 192 N HN 0.489 nan 8.380 nan 0.000 0.519 193 Y N 2.890 123.309 120.300 0.198 0.000 2.002 193 Y HA -0.387 4.162 4.550 -0.000 0.000 0.268 193 Y C 1.800 177.809 175.900 0.182 0.000 1.177 193 Y CA 2.585 60.813 58.100 0.213 0.000 1.111 193 Y CB 0.032 38.576 38.460 0.140 0.000 0.952 193 Y HN 0.074 nan 8.280 nan 0.000 0.491 194 E N -0.584 119.802 120.200 0.310 0.000 2.048 194 E HA -0.340 4.010 4.350 -0.000 0.000 0.202 194 E C 1.997 178.647 176.600 0.083 0.000 1.021 194 E CA 2.014 58.515 56.400 0.168 0.000 0.825 194 E CB -1.582 28.215 29.700 0.162 0.000 0.756 194 E HN 0.736 nan 8.360 nan 0.000 0.454 195 Y N 0.523 120.813 120.300 -0.017 0.000 2.081 195 Y HA -0.269 4.281 4.550 -0.000 0.000 0.280 195 Y C 2.064 177.960 175.900 -0.006 0.000 1.163 195 Y CA 1.795 59.847 58.100 -0.080 0.000 1.135 195 Y CB -0.568 37.783 38.460 -0.180 0.000 0.970 195 Y HN 0.067 nan 8.280 nan 0.000 0.498 196 F N -0.052 119.952 119.950 0.090 0.000 2.186 196 F HA -0.174 4.354 4.527 0.000 0.000 0.299 196 F C 2.218 178.004 175.800 -0.023 0.000 1.090 196 F CA 1.116 59.163 58.000 0.079 0.000 1.307 196 F CB -0.314 38.755 39.000 0.116 0.000 1.019 196 F HN 0.082 nan 8.300 nan 0.000 0.489 197 D N 0.175 120.577 120.400 0.004 0.000 2.351 197 D HA -0.154 4.486 4.640 -0.000 0.000 0.216 197 D C 1.901 178.118 176.300 -0.139 0.000 0.968 197 D CA 0.813 54.745 54.000 -0.112 0.000 0.899 197 D CB -0.179 40.500 40.800 -0.202 0.000 0.907 197 D HN 0.307 nan 8.370 nan 0.000 0.514 198 Q N -1.201 118.428 119.800 -0.285 0.000 2.364 198 Q HA -0.071 4.269 4.340 -0.000 0.000 0.209 198 Q C -0.169 175.442 176.000 -0.648 0.000 0.977 198 Q CA 0.588 56.070 55.803 -0.535 0.000 0.885 198 Q CB 0.152 28.396 28.738 -0.824 0.000 0.941 198 Q HN 0.312 nan 8.270 nan 0.000 0.464 199 F N -1.445 118.447 119.950 -0.096 0.000 2.538 199 F HA 0.199 4.726 4.527 -0.000 0.000 0.325 199 F C 1.215 176.979 175.800 -0.059 0.000 1.066 199 F CA -0.902 57.056 58.000 -0.070 0.000 0.946 199 F CB 1.259 40.218 39.000 -0.068 0.000 1.199 199 F HN -0.239 nan 8.300 nan 0.000 0.473 200 E N 0.141 120.427 120.200 0.144 0.000 2.072 200 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 200 E C 0.028 176.650 176.600 0.036 0.000 0.985 200 E CA 0.903 57.337 56.400 0.057 0.000 0.801 200 E CB 0.240 29.965 29.700 0.042 0.000 0.750 200 E HN 0.629 nan 8.360 nan 0.000 0.452 201 Q N -0.004 119.814 119.800 0.031 0.000 2.331 201 Q HA 0.416 4.756 4.340 -0.000 0.000 0.272 201 Q C -1.270 174.689 176.000 -0.068 0.000 1.062 201 Q CA -0.564 55.228 55.803 -0.018 0.000 0.806 201 Q CB 1.535 30.259 28.738 -0.024 0.000 1.312 201 Q HN 0.010 nan 8.270 nan 0.000 0.431 202 I N 3.970 124.471 120.570 -0.115 0.000 2.328 202 I HA 0.342 4.512 4.170 -0.000 0.000 0.287 202 I C -0.343 175.639 176.117 -0.225 0.000 1.012 202 I CA -0.766 60.407 61.300 -0.212 0.000 1.195 202 I CB 1.228 39.054 38.000 -0.289 0.000 1.350 202 I HN 0.591 nan 8.210 nan 0.000 0.464 203 I N 7.301 127.738 120.570 -0.221 0.000 2.287 203 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 203 I C 0.025 175.998 176.117 -0.241 0.000 1.069 203 I CA -0.448 60.732 61.300 -0.199 0.000 1.237 203 I CB 0.500 38.406 38.000 -0.156 0.000 1.418 203 I HN 0.361 nan 8.210 nan 0.000 0.481 204 L N 7.209 128.226 121.223 -0.342 0.000 2.433 204 L HA 0.228 4.568 4.340 -0.000 0.000 0.284 204 L C 0.396 177.030 176.870 -0.393 0.000 1.120 204 L CA 0.357 54.884 54.840 -0.522 0.000 0.879 204 L CB 0.383 41.883 42.059 -0.932 0.000 1.232 204 L HN 0.661 nan 8.230 nan 0.000 0.454 205 M N 5.122 124.650 119.600 -0.121 0.000 3.266 205 M HA 0.364 4.844 4.480 -0.000 0.000 0.260 205 M C -0.528 175.937 176.300 0.274 0.000 1.319 205 M CA -0.134 55.175 55.300 0.016 0.000 1.412 205 M CB 0.028 32.634 32.600 0.010 0.000 1.113 205 M HN 0.365 nan 8.290 nan 0.000 0.588 206 F N -0.411 119.500 119.950 -0.064 0.000 2.364 206 F HA 0.291 4.818 4.527 -0.000 0.000 0.316 206 F C 0.896 176.677 175.800 -0.033 0.000 1.133 206 F CA -1.546 56.428 58.000 -0.042 0.000 1.051 206 F CB 0.643 39.612 39.000 -0.053 0.000 1.342 206 F HN 0.272 nan 8.300 nan 0.000 0.507 207 D N 0.896 121.403 120.400 0.178 0.000 2.506 207 D HA -0.001 4.639 4.640 -0.000 0.000 0.234 207 D C 0.312 176.658 176.300 0.076 0.000 1.143 207 D CA 0.536 54.588 54.000 0.087 0.000 0.871 207 D CB 0.513 41.340 40.800 0.045 0.000 1.190 207 D HN 0.118 nan 8.370 nan 0.000 0.459 208 M N 2.690 122.320 119.600 0.051 0.000 3.533 208 M HA 0.160 4.640 4.480 -0.000 0.000 0.217 208 M C -0.706 175.614 176.300 0.033 0.000 1.269 208 M CA -0.392 54.931 55.300 0.039 0.000 1.435 208 M CB -1.628 30.993 32.600 0.035 0.000 1.105 208 M HN 0.294 nan 8.290 nan 0.000 0.555 209 D N -3.186 117.235 120.400 0.034 0.000 2.579 209 D HA 0.305 4.945 4.640 -0.000 0.000 0.257 209 D C 0.567 176.883 176.300 0.026 0.000 1.176 209 D CA -0.736 53.281 54.000 0.027 0.000 0.914 209 D CB 1.081 41.895 40.800 0.023 0.000 1.431 209 D HN 0.034 nan 8.370 nan 0.000 0.454 210 E N -0.064 120.149 120.200 0.021 0.000 2.242 210 E HA -0.398 3.952 4.350 -0.000 0.000 0.247 210 E C 1.873 178.486 176.600 0.022 0.000 1.056 210 E CA 2.816 59.228 56.400 0.019 0.000 0.999 210 E CB -0.439 29.270 29.700 0.016 0.000 0.891 210 E HN 0.564 nan 8.360 nan 0.000 0.512 211 A N -0.136 122.696 122.820 0.020 0.000 2.119 211 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 211 A C 2.095 179.700 177.584 0.035 0.000 1.153 211 A CA 1.485 53.534 52.037 0.021 0.000 0.692 211 A CB -0.448 18.558 19.000 0.010 0.000 0.799 211 A HN 0.447 nan 8.150 nan 0.000 0.458 212 G N -0.686 108.140 108.800 0.044 0.000 2.411 212 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.213 212 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.213 212 G C 1.667 176.632 174.900 0.108 0.000 1.166 212 G CA 0.612 45.761 45.100 0.082 0.000 0.802 212 G HN 0.421 nan 8.290 nan 0.000 0.533 213 R N 0.561 121.089 120.500 0.047 0.000 2.081 213 R HA 0.110 4.450 4.340 -0.000 0.000 0.235 213 R C 2.496 178.799 176.300 0.004 0.000 1.131 213 R CA 0.922 57.023 56.100 0.001 0.000 0.960 213 R CB -0.330 29.964 30.300 -0.010 0.000 0.856 213 R HN 0.163 nan 8.270 nan 0.000 0.436 214 K N -0.112 120.303 120.400 0.026 0.000 2.074 214 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 214 K C 1.852 178.486 176.600 0.057 0.000 1.048 214 K CA 1.597 57.900 56.287 0.027 0.000 0.926 214 K CB -0.214 32.302 32.500 0.027 0.000 0.713 214 K HN 0.220 nan 8.250 nan 0.000 0.444 215 A N 0.825 123.716 122.820 0.118 0.000 1.865 215 A HA -0.157 4.162 4.320 -0.000 0.000 0.217 215 A C 2.371 180.131 177.584 0.294 0.000 1.191 215 A CA 1.926 54.093 52.037 0.217 0.000 0.623 215 A CB -0.857 18.294 19.000 0.251 0.000 0.826 215 A HN 0.124 nan 8.150 nan 0.000 0.444 216 V N 0.352 120.387 119.914 0.202 0.000 2.250 216 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 216 V C 2.647 178.645 176.094 -0.159 0.000 1.060 216 V CA 2.421 64.593 62.300 -0.212 0.000 1.030 216 V CB -0.874 30.727 31.823 -0.369 0.000 0.643 216 V HN 0.551 nan 8.190 nan 0.000 0.445 217 E N -0.160 119.975 120.200 -0.108 0.000 2.033 217 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 217 E C 2.251 178.832 176.600 -0.031 0.000 1.011 217 E CA 1.826 58.175 56.400 -0.085 0.000 0.815 217 E CB -0.334 29.335 29.700 -0.052 0.000 0.755 217 E HN 0.646 nan 8.360 nan 0.000 0.451 218 E N 0.153 120.362 120.200 0.015 0.000 2.204 218 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 218 E C 1.715 178.346 176.600 0.052 0.000 0.990 218 E CA 1.039 57.461 56.400 0.037 0.000 0.821 218 E CB -0.145 29.587 29.700 0.052 0.000 0.750 218 E HN 0.285 nan 8.360 nan 0.000 0.477 219 A N 0.574 123.432 122.820 0.063 0.000 1.840 219 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 219 A C 2.386 179.979 177.584 0.015 0.000 1.198 219 A CA 1.705 53.790 52.037 0.080 0.000 0.608 219 A CB -1.027 18.046 19.000 0.121 0.000 0.839 219 A HN 0.318 nan 8.150 nan 0.000 0.443 220 A N -1.157 121.625 122.820 -0.064 0.000 1.940 220 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 220 A C 2.105 179.685 177.584 -0.005 0.000 1.176 220 A CA 2.106 54.098 52.037 -0.075 0.000 0.631 220 A CB -0.610 18.306 19.000 -0.140 0.000 0.814 220 A HN 0.567 nan 8.150 nan 0.000 0.446 221 Q N -0.821 118.982 119.800 0.005 0.000 2.133 221 Q HA -0.184 4.156 4.340 -0.000 0.000 0.208 221 Q C 1.882 177.921 176.000 0.065 0.000 0.991 221 Q CA 2.492 58.314 55.803 0.031 0.000 0.867 221 Q CB -0.473 28.280 28.738 0.026 0.000 0.911 221 Q HN 0.658 nan 8.270 nan 0.000 0.417 222 V N -1.028 118.938 119.914 0.086 0.000 3.506 222 V HA 0.197 4.317 4.120 -0.000 0.000 0.263 222 V C 0.822 177.058 176.094 0.235 0.000 1.203 222 V CA 0.377 62.756 62.300 0.131 0.000 1.133 222 V CB -0.097 31.798 31.823 0.121 0.000 0.802 222 V HN 0.075 nan 8.190 nan 0.000 0.459 223 L N 1.395 122.727 121.223 0.182 0.000 2.418 223 L HA 0.389 4.729 4.340 -0.000 0.000 0.265 223 L C -1.823 175.163 176.870 0.193 0.000 1.143 223 L CA -1.724 53.225 54.840 0.181 0.000 0.809 223 L CB 1.244 43.309 42.059 0.010 0.000 1.124 223 L HN 0.125 nan 8.230 nan 0.000 0.456 224 P HA 0.060 nan 4.420 nan 0.000 0.266 224 P C 0.136 177.455 177.300 0.033 0.000 1.215 224 P CA 0.340 63.411 63.100 -0.048 0.000 0.763 224 P CB 0.824 32.193 31.700 -0.551 0.000 0.806 225 A N 4.615 127.506 122.820 0.119 0.000 5.554 225 A HA -0.217 4.102 4.320 -0.000 0.000 0.335 225 A C 1.430 179.037 177.584 0.037 0.000 1.745 225 A CA 1.535 53.617 52.037 0.075 0.000 0.758 225 A CB -2.152 16.889 19.000 0.068 0.000 1.400 225 A HN 0.653 nan 8.150 nan 0.000 0.410 226 G N -1.240 107.576 108.800 0.027 0.000 3.562 226 G HA2 0.429 4.389 3.960 -0.000 0.000 0.279 226 G HA3 0.429 4.389 3.960 -0.000 0.000 0.279 226 G C 0.698 175.603 174.900 0.007 0.000 1.314 226 G CA 0.785 45.898 45.100 0.022 0.000 1.189 226 G HN 0.697 nan 8.290 nan 0.000 0.562 227 K N -0.395 119.999 120.400 -0.010 0.000 2.348 227 K HA 0.123 4.442 4.320 -0.000 0.000 0.194 227 K C 0.672 177.240 176.600 -0.053 0.000 1.052 227 K CA -0.004 56.267 56.287 -0.028 0.000 1.004 227 K CB 0.879 33.356 32.500 -0.039 0.000 0.873 227 K HN 0.266 nan 8.250 nan 0.000 0.523 228 V N 3.373 123.248 119.914 -0.066 0.000 2.637 228 V HA 0.199 4.319 4.120 -0.000 0.000 0.296 228 V C -0.006 176.040 176.094 -0.080 0.000 1.046 228 V CA -0.613 61.618 62.300 -0.115 0.000 1.066 228 V CB 0.336 32.075 31.823 -0.139 0.000 0.968 228 V HN 0.227 nan 8.190 nan 0.000 0.483 229 R N 2.970 123.400 120.500 -0.116 0.000 2.621 229 R HA 0.666 5.006 4.340 -0.000 0.000 0.284 229 R C -1.566 174.637 176.300 -0.161 0.000 0.998 229 R CA -0.820 55.252 56.100 -0.047 0.000 0.895 229 R CB 1.428 31.741 30.300 0.021 0.000 1.195 229 R HN 0.430 nan 8.270 nan 0.000 0.450 230 V N 2.164 121.947 119.914 -0.219 0.000 2.461 230 V HA 0.353 4.472 4.120 -0.000 0.000 0.275 230 V C 0.543 176.550 176.094 -0.145 0.000 1.047 230 V CA -0.307 61.750 62.300 -0.405 0.000 0.955 230 V CB 1.256 32.476 31.823 -1.006 0.000 0.988 230 V HN 0.919 nan 8.190 nan 0.000 0.471 231 A N 5.508 128.228 122.820 -0.167 0.000 2.388 231 A HA 0.623 4.943 4.320 -0.000 0.000 0.257 231 A C -0.439 177.120 177.584 -0.043 0.000 1.095 231 A CA -0.244 51.746 52.037 -0.079 0.000 0.791 231 A CB 0.797 19.742 19.000 -0.091 0.000 1.029 231 A HN 0.695 nan 8.150 nan 0.000 0.489 232 V N 4.484 124.403 119.914 0.008 0.000 2.398 232 V HA 0.296 4.415 4.120 -0.000 0.000 0.282 232 V C -0.440 175.659 176.094 0.009 0.000 1.014 232 V CA -0.038 62.281 62.300 0.030 0.000 0.838 232 V CB 0.812 32.693 31.823 0.095 0.000 1.018 232 V HN 0.793 nan 8.190 nan 0.000 0.432 233 L N 6.352 127.580 121.223 0.009 0.000 2.352 233 L HA 0.521 4.861 4.340 -0.000 0.000 0.269 233 L C -1.266 175.615 176.870 0.018 0.000 1.034 233 L CA -1.577 53.270 54.840 0.011 0.000 0.806 233 L CB 1.400 43.474 42.059 0.026 0.000 1.244 233 L HN 0.339 nan 8.230 nan 0.000 0.447 234 P HA -0.029 nan 4.420 nan 0.000 0.223 234 P C -0.485 176.853 177.300 0.063 0.000 1.151 234 P CA 0.676 63.783 63.100 0.012 0.000 0.787 234 P CB 0.138 31.805 31.700 -0.056 0.000 0.788 235 C N -2.370 116.980 119.300 0.083 0.000 3.161 235 C HA 0.365 4.825 4.460 -0.000 0.000 0.330 235 C C 1.940 176.960 174.990 0.051 0.000 1.396 235 C CA -1.044 58.017 59.018 0.071 0.000 1.536 235 C CB 1.347 29.137 27.740 0.084 0.000 1.978 235 C HN 0.028 nan 8.230 nan 0.000 0.454 236 K N 0.881 121.306 120.400 0.042 0.000 2.034 236 K HA -0.190 4.130 4.320 -0.000 0.000 0.214 236 K C 0.105 176.729 176.600 0.039 0.000 1.051 236 K CA 2.642 58.950 56.287 0.036 0.000 0.931 236 K CB -0.240 32.277 32.500 0.028 0.000 0.715 236 K HN 0.952 nan 8.250 nan 0.000 0.446 237 D N -3.875 116.549 120.400 0.040 0.000 2.592 237 D HA 0.354 4.994 4.640 -0.000 0.000 0.263 237 D C 0.214 176.539 176.300 0.042 0.000 1.132 237 D CA -0.183 53.842 54.000 0.042 0.000 0.996 237 D CB 0.906 41.727 40.800 0.036 0.000 1.442 237 D HN -0.043 nan 8.370 nan 0.000 0.486 238 A N -0.010 122.833 122.820 0.038 0.000 1.978 238 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 238 A C 1.813 179.423 177.584 0.043 0.000 1.170 238 A CA 1.780 53.834 52.037 0.028 0.000 0.636 238 A CB -0.965 18.041 19.000 0.010 0.000 0.810 238 A HN 0.678 nan 8.150 nan 0.000 0.448 239 N N -0.363 118.366 118.700 0.047 0.000 2.250 239 N HA -0.153 4.587 4.740 -0.000 0.000 0.181 239 N C 1.769 177.316 175.510 0.062 0.000 1.017 239 N CA 1.303 54.396 53.050 0.072 0.000 0.866 239 N CB -0.132 38.386 38.487 0.051 0.000 0.985 239 N HN 0.699 nan 8.380 nan 0.000 0.429 240 E N 0.217 120.439 120.200 0.038 0.000 2.160 240 E HA -0.151 4.198 4.350 -0.000 0.000 0.195 240 E C 1.901 178.504 176.600 0.005 0.000 0.991 240 E CA 1.184 57.595 56.400 0.019 0.000 0.810 240 E CB 0.025 29.739 29.700 0.024 0.000 0.742 240 E HN 0.403 nan 8.360 nan 0.000 0.466 241 C N 0.007 119.327 119.300 0.034 0.000 2.473 241 C HA -0.082 4.378 4.460 -0.000 0.000 0.279 241 C C 2.534 177.521 174.990 -0.005 0.000 1.250 241 C CA 0.935 59.964 59.018 0.019 0.000 1.713 241 C CB -1.368 26.422 27.740 0.082 0.000 2.066 241 C HN 0.620 nan 8.230 nan 0.000 0.474 242 H N 1.072 120.110 119.070 -0.054 0.000 2.265 242 H HA -0.053 4.503 4.556 -0.000 0.000 0.293 242 H C 0.782 176.073 175.328 -0.062 0.000 1.089 242 H CA 1.104 57.121 56.048 -0.051 0.000 1.244 242 H CB -0.872 28.874 29.762 -0.027 0.000 1.355 242 H HN 0.288 nan 8.280 nan 0.000 0.485 243 L N 2.887 124.033 121.223 -0.129 0.000 2.865 243 L HA -0.133 4.207 4.340 -0.000 0.000 0.283 243 L C -0.007 176.762 176.870 -0.169 0.000 1.101 243 L CA 0.586 55.320 54.840 -0.176 0.000 1.061 243 L CB -1.064 40.945 42.059 -0.082 0.000 1.437 243 L HN 0.582 nan 8.230 nan 0.000 0.460 244 N N 3.324 121.903 118.700 -0.203 0.000 2.606 244 N HA -0.212 4.528 4.740 -0.000 0.000 0.326 244 N C 0.600 175.974 175.510 -0.228 0.000 1.177 244 N CA 0.523 53.467 53.050 -0.175 0.000 0.715 244 N CB 0.061 38.474 38.487 -0.123 0.000 1.022 244 N HN 0.951 nan 8.380 nan 0.000 0.557 245 G N 1.695 110.311 108.800 -0.306 0.000 2.687 245 G HA2 0.023 3.983 3.960 -0.000 0.000 0.106 245 G HA3 0.023 3.983 3.960 -0.000 0.000 0.106 245 G C -1.403 173.176 174.900 -0.535 0.000 1.082 245 G CA -0.584 44.100 45.100 -0.693 0.000 1.394 245 G HN 0.600 nan 8.290 nan 0.000 0.627 246 H N 1.605 120.685 119.070 0.018 0.000 2.448 246 H HA 0.398 4.954 4.556 -0.000 0.000 0.237 246 H C -0.107 175.228 175.328 0.011 0.000 1.391 246 H CA -0.616 55.438 56.048 0.009 0.000 1.477 246 H CB 1.169 30.928 29.762 -0.006 0.000 1.520 246 H HN 0.322 nan 8.280 nan 0.000 0.502 247 D N 1.386 121.839 120.400 0.088 0.000 2.116 247 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 247 D C 2.179 178.476 176.300 -0.005 0.000 0.998 247 D CA 0.954 54.991 54.000 0.062 0.000 0.836 247 D CB 0.381 41.233 40.800 0.087 0.000 0.951 247 D HN 0.391 nan 8.370 nan 0.000 0.449 248 R N 1.264 121.770 120.500 0.010 0.000 2.200 248 R HA -0.163 4.176 4.340 -0.000 0.000 0.234 248 R C 1.459 177.696 176.300 -0.105 0.000 1.127 248 R CA 1.110 57.180 56.100 -0.051 0.000 0.989 248 R CB 0.048 30.351 30.300 0.006 0.000 0.869 248 R HN 0.047 nan 8.270 nan 0.000 0.459 249 E N 0.521 120.701 120.200 -0.033 0.000 2.076 249 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 249 E C 1.936 178.466 176.600 -0.116 0.000 0.979 249 E CA 1.128 57.493 56.400 -0.059 0.000 0.807 249 E CB -0.108 29.596 29.700 0.007 0.000 0.761 249 E HN 0.352 nan 8.360 nan 0.000 0.454 250 I N -0.101 120.407 120.570 -0.102 0.000 2.226 250 I HA -0.293 3.876 4.170 -0.000 0.000 0.245 250 I C 2.163 178.106 176.117 -0.289 0.000 1.100 250 I CA 0.851 62.064 61.300 -0.144 0.000 1.374 250 I CB -0.191 37.744 38.000 -0.108 0.000 1.057 250 I HN 0.190 nan 8.210 nan 0.000 0.413 251 M N 0.831 120.194 119.600 -0.395 0.000 2.067 251 M HA -0.221 4.259 4.480 -0.000 0.000 0.260 251 M C 2.024 177.659 176.300 -1.109 0.000 1.069 251 M CA 1.879 56.705 55.300 -0.791 0.000 1.117 251 M CB -0.459 31.677 32.600 -0.773 0.000 1.334 251 M HN 0.071 nan 8.290 nan 0.000 0.407 252 E N -0.703 119.055 120.200 -0.736 0.000 2.393 252 E HA -0.238 4.112 4.350 -0.000 0.000 0.201 252 E C 1.820 178.256 176.600 -0.273 0.000 1.025 252 E CA 0.829 56.959 56.400 -0.450 0.000 0.856 252 E CB -0.070 29.518 29.700 -0.186 0.000 0.771 252 E HN 0.604 nan 8.360 nan 0.000 0.526 253 Q N -0.540 119.082 119.800 -0.297 0.000 2.387 253 Q HA 0.022 4.362 4.340 -0.000 0.000 0.212 253 Q C 2.478 178.376 176.000 -0.169 0.000 0.925 253 Q CA 0.355 56.059 55.803 -0.165 0.000 0.901 253 Q CB -0.177 28.486 28.738 -0.124 0.000 1.020 253 Q HN 0.166 nan 8.270 nan 0.000 0.545 254 V N 1.219 120.972 119.914 -0.269 0.000 2.250 254 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 254 V C 0.864 176.910 176.094 -0.079 0.000 1.060 254 V CA 1.418 63.592 62.300 -0.209 0.000 1.030 254 V CB -0.489 31.173 31.823 -0.268 0.000 0.643 254 V HN 0.314 nan 8.190 nan 0.000 0.445 255 W N 2.483 123.718 121.300 -0.108 0.000 2.303 255 W HA 0.279 4.939 4.660 -0.000 0.000 0.318 255 W C 0.754 177.230 176.519 -0.071 0.000 1.362 255 W CA -0.456 56.827 57.345 -0.104 0.000 1.234 255 W CB -1.443 27.959 29.460 -0.097 0.000 1.248 255 W HN 0.734 nan 8.180 nan 0.000 0.546 256 N N 0.176 118.955 118.700 0.131 0.000 2.671 256 N HA -0.186 4.554 4.740 -0.000 0.000 0.261 256 N C -0.331 175.203 175.510 0.040 0.000 1.053 256 N CA 0.903 53.998 53.050 0.075 0.000 0.732 256 N CB -1.590 36.949 38.487 0.087 0.000 0.887 256 N HN 0.450 nan 8.380 nan 0.000 0.546 257 A N 0.539 123.373 122.820 0.024 0.000 2.296 257 A HA 0.750 5.070 4.320 -0.000 0.000 0.264 257 A C 1.273 178.913 177.584 0.093 0.000 1.097 257 A CA 0.166 52.227 52.037 0.041 0.000 0.811 257 A CB 0.139 19.148 19.000 0.015 0.000 1.072 257 A HN 0.830 nan 8.150 nan 0.000 0.495 258 G N -0.795 108.121 108.800 0.192 0.000 2.732 258 G HA2 0.434 4.394 3.960 -0.000 0.000 0.244 258 G HA3 0.434 4.394 3.960 -0.000 0.000 0.244 258 G C -2.571 172.555 174.900 0.377 0.000 1.226 258 G CA -0.484 44.776 45.100 0.268 0.000 0.860 258 G HN 0.574 nan 8.290 nan 0.000 0.583 259 P HA 0.327 nan 4.420 nan 0.000 0.181 259 P C -1.198 176.379 177.300 0.460 0.000 1.874 259 P CA -0.577 62.695 63.100 0.287 0.000 1.310 259 P CB -0.115 31.651 31.700 0.111 0.000 1.629 260 W N 2.982 124.241 121.300 -0.068 0.000 2.791 260 W HA 0.586 5.246 4.660 0.000 0.000 0.419 260 W C -1.728 174.752 176.519 -0.064 0.000 1.082 260 W CA -0.931 56.379 57.345 -0.058 0.000 1.154 260 W CB 0.048 29.482 29.460 -0.044 0.000 1.472 260 W HN -0.122 nan 8.180 nan 0.000 0.584 261 I N -1.621 119.004 120.570 0.093 0.000 3.426 261 I HA 0.142 4.312 4.170 -0.000 0.000 0.333 261 I C -2.494 173.735 176.117 0.187 0.000 1.318 261 I CA -0.944 60.333 61.300 -0.039 0.000 0.907 261 I CB 0.351 38.309 38.000 -0.071 0.000 2.298 261 I HN 0.022 nan 8.210 nan 0.000 0.769 262 P HA 0.050 nan 4.420 nan 0.000 0.267 262 P C -0.362 177.043 177.300 0.175 0.000 1.328 262 P CA 0.542 63.757 63.100 0.192 0.000 0.990 262 P CB 0.580 32.365 31.700 0.140 0.000 1.168 263 D N 2.869 123.338 120.400 0.116 0.000 3.139 263 D HA 0.281 4.921 4.640 -0.000 0.000 0.268 263 D C 1.189 177.526 176.300 0.062 0.000 1.322 263 D CA -0.203 53.853 54.000 0.093 0.000 0.940 263 D CB -0.432 40.409 40.800 0.068 0.000 1.050 263 D HN 0.544 nan 8.370 nan 0.000 0.503 264 G N -0.398 108.436 108.800 0.056 0.000 4.080 264 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.219 264 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.219 264 G C -0.024 174.893 174.900 0.028 0.000 0.843 264 G CA -0.192 44.930 45.100 0.037 0.000 0.856 264 G HN 0.263 nan 8.290 nan 0.000 0.616 265 V N 1.649 121.583 119.914 0.033 0.000 2.607 265 V HA 0.660 4.780 4.120 -0.000 0.000 0.289 265 V C -0.217 175.881 176.094 0.007 0.000 1.053 265 V CA -0.182 62.130 62.300 0.019 0.000 0.996 265 V CB 1.734 33.572 31.823 0.025 0.000 0.995 265 V HN 0.335 nan 8.190 nan 0.000 0.476 266 V N 5.408 125.318 119.914 -0.007 0.000 2.675 266 V HA 0.228 4.348 4.120 -0.000 0.000 0.266 266 V C 0.064 176.142 176.094 -0.027 0.000 0.974 266 V CA -0.530 61.759 62.300 -0.019 0.000 0.890 266 V CB 1.510 33.325 31.823 -0.013 0.000 1.055 266 V HN 1.005 nan 8.190 nan 0.000 0.477 267 S N 3.035 118.712 115.700 -0.038 0.000 2.554 267 S HA 0.290 4.760 4.470 -0.000 0.000 0.290 267 S C 1.585 176.165 174.600 -0.034 0.000 1.309 267 S CA 0.419 58.597 58.200 -0.037 0.000 1.047 267 S CB 1.407 64.579 63.200 -0.047 0.000 0.828 267 S HN 1.354 nan 8.310 nan 0.000 0.509 268 A N 2.959 125.761 122.820 -0.029 0.000 1.877 268 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 268 A C 2.206 179.772 177.584 -0.030 0.000 1.186 268 A CA 1.291 53.311 52.037 -0.028 0.000 0.620 268 A CB -0.880 18.105 19.000 -0.025 0.000 0.822 268 A HN 0.770 nan 8.150 nan 0.000 0.443 269 L N 0.999 122.203 121.223 -0.031 0.000 2.064 269 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 269 L C 2.565 179.414 176.870 -0.033 0.000 1.077 269 L CA 2.547 57.368 54.840 -0.032 0.000 0.766 269 L CB -1.376 40.661 42.059 -0.036 0.000 0.890 269 L HN 0.622 nan 8.230 nan 0.000 0.435 270 S N -2.289 113.388 115.700 -0.038 0.000 2.754 270 S HA 0.078 4.548 4.470 -0.000 0.000 0.223 270 S C 1.386 175.968 174.600 -0.031 0.000 0.951 270 S CA 0.043 58.219 58.200 -0.040 0.000 0.954 270 S CB -0.239 62.930 63.200 -0.051 0.000 0.780 270 S HN 0.347 nan 8.310 nan 0.000 0.509 271 L N 0.268 121.474 121.223 -0.027 0.000 2.701 271 L HA 0.413 4.753 4.340 -0.000 0.000 0.238 271 L C 2.178 179.037 176.870 -0.018 0.000 1.106 271 L CA -0.072 54.755 54.840 -0.023 0.000 0.898 271 L CB -0.171 41.871 42.059 -0.027 0.000 1.188 271 L HN 0.256 nan 8.230 nan 0.000 0.508 272 R N 0.960 121.449 120.500 -0.018 0.000 2.196 272 R HA -0.287 4.053 4.340 -0.000 0.000 0.244 272 R C 1.912 178.209 176.300 -0.006 0.000 1.121 272 R CA 2.386 58.479 56.100 -0.013 0.000 0.930 272 R CB -0.251 30.040 30.300 -0.014 0.000 0.890 272 R HN 0.195 nan 8.270 nan 0.000 0.435 273 E N 0.117 120.313 120.200 -0.007 0.000 2.051 273 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 273 E C 2.105 178.709 176.600 0.007 0.000 0.991 273 E CA 1.448 57.848 56.400 -0.001 0.000 0.799 273 E CB -0.427 29.270 29.700 -0.005 0.000 0.748 273 E HN 0.461 nan 8.360 nan 0.000 0.449 274 R N 0.515 121.018 120.500 0.005 0.000 2.117 274 R HA -0.126 4.214 4.340 -0.000 0.000 0.243 274 R C 2.428 178.751 176.300 0.038 0.000 1.143 274 R CA 1.161 57.272 56.100 0.017 0.000 0.968 274 R CB -0.247 30.058 30.300 0.007 0.000 0.863 274 R HN 0.143 nan 8.270 nan 0.000 0.444 275 I N -0.025 120.557 120.570 0.020 0.000 2.110 275 I HA -0.295 3.875 4.170 -0.000 0.000 0.236 275 I C 2.655 178.811 176.117 0.065 0.000 1.068 275 I CA 1.525 62.840 61.300 0.025 0.000 1.333 275 I CB -0.423 37.572 38.000 -0.007 0.000 1.054 275 I HN 0.215 nan 8.210 nan 0.000 0.402 276 R N 1.725 122.247 120.500 0.037 0.000 2.133 276 R HA -0.306 4.034 4.340 -0.000 0.000 0.245 276 R C 2.131 178.456 176.300 0.042 0.000 1.137 276 R CA 2.586 58.706 56.100 0.034 0.000 0.947 276 R CB -0.487 29.822 30.300 0.015 0.000 0.865 276 R HN 0.471 nan 8.270 nan 0.000 0.437 277 E N -0.689 119.533 120.200 0.037 0.000 2.150 277 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 277 E C 1.833 178.451 176.600 0.029 0.000 0.985 277 E CA 1.895 58.307 56.400 0.021 0.000 0.814 277 E CB -0.473 29.233 29.700 0.010 0.000 0.752 277 E HN 0.737 nan 8.360 nan 0.000 0.466 278 H N 0.114 119.171 119.070 -0.021 0.000 2.267 278 H HA -0.068 4.488 4.556 -0.000 0.000 0.297 278 H C 1.931 177.246 175.328 -0.021 0.000 1.080 278 H CA 2.437 58.471 56.048 -0.024 0.000 1.278 278 H CB -0.312 29.438 29.762 -0.020 0.000 1.365 278 H HN 0.209 nan 8.280 nan 0.000 0.489 279 L N -0.177 121.155 121.223 0.181 0.000 2.021 279 L HA -0.273 4.066 4.340 -0.000 0.000 0.215 279 L C 2.654 179.530 176.870 0.011 0.000 1.074 279 L CA 1.789 56.704 54.840 0.125 0.000 0.760 279 L CB -0.414 41.703 42.059 0.097 0.000 0.889 279 L HN 0.371 nan 8.230 nan 0.000 0.433 280 S N -1.402 114.292 115.700 -0.011 0.000 2.345 280 S HA -0.165 4.305 4.470 -0.000 0.000 0.220 280 S C 2.128 176.680 174.600 -0.079 0.000 1.031 280 S CA 1.325 59.504 58.200 -0.035 0.000 0.996 280 S CB -0.272 62.914 63.200 -0.024 0.000 0.882 280 S HN 0.301 nan 8.310 nan 0.000 0.445 281 S N 0.851 116.483 115.700 -0.114 0.000 2.354 281 S HA -0.043 4.427 4.470 -0.000 0.000 0.219 281 S C 0.864 175.338 174.600 -0.210 0.000 1.035 281 S CA 1.251 59.357 58.200 -0.157 0.000 1.037 281 S CB -0.229 62.868 63.200 -0.172 0.000 0.956 281 S HN 0.367 nan 8.310 nan 0.000 0.428 282 E N 1.168 121.163 120.200 -0.343 0.000 2.242 282 E HA 0.325 4.675 4.350 -0.000 0.000 0.275 282 E C -0.392 176.085 176.600 -0.205 0.000 1.002 282 E CA -0.400 55.795 56.400 -0.342 0.000 0.841 282 E CB 1.008 30.427 29.700 -0.470 0.000 1.109 282 E HN 0.276 nan 8.360 nan 0.000 0.394 283 E N 2.855 122.951 120.200 -0.174 0.000 2.325 283 E HA 0.174 4.524 4.350 -0.000 0.000 0.248 283 E C -0.021 176.506 176.600 -0.122 0.000 0.912 283 E CA -0.117 56.213 56.400 -0.116 0.000 0.782 283 E CB 0.505 30.134 29.700 -0.119 0.000 1.264 283 E HN 0.531 nan 8.360 nan 0.000 0.417 284 S N 2.911 118.597 115.700 -0.024 0.000 2.498 284 S HA -0.345 4.125 4.470 -0.000 0.000 0.391 284 S C 1.369 175.983 174.600 0.023 0.000 1.216 284 S CA 2.387 60.648 58.200 0.102 0.000 1.870 284 S CB -1.649 61.630 63.200 0.132 0.000 1.585 284 S HN 0.580 nan 8.310 nan 0.000 0.491 285 V N 2.018 121.935 119.914 0.004 0.000 3.067 285 V HA 0.550 4.670 4.120 -0.000 0.000 0.388 285 V C 1.112 177.152 176.094 -0.089 0.000 1.330 285 V CA -0.372 61.923 62.300 -0.008 0.000 1.501 285 V CB -1.009 30.824 31.823 0.017 0.000 1.382 285 V HN 0.696 nan 8.190 nan 0.000 0.532 286 G N 1.229 109.928 108.800 -0.168 0.000 2.272 286 G HA2 0.289 4.249 3.960 -0.000 0.000 0.274 286 G HA3 0.289 4.249 3.960 -0.000 0.000 0.274 286 G C -0.134 174.592 174.900 -0.290 0.000 1.136 286 G CA -0.040 44.915 45.100 -0.242 0.000 1.098 286 G HN 0.661 nan 8.290 nan 0.000 0.425 287 L N 1.012 122.057 121.223 -0.297 0.000 3.010 287 L HA -0.193 4.147 4.340 -0.000 0.000 0.571 287 L C -0.213 176.502 176.870 -0.258 0.000 1.001 287 L CA 0.256 54.851 54.840 -0.408 0.000 1.301 287 L CB -0.250 41.320 42.059 -0.815 0.000 1.494 287 L HN 0.553 nan 8.230 nan 0.000 0.722 288 L N 5.994 127.203 121.223 -0.023 0.000 2.275 288 L HA 0.490 4.830 4.340 -0.000 0.000 0.288 288 L C 0.249 177.244 176.870 0.209 0.000 1.046 288 L CA -0.020 54.863 54.840 0.072 0.000 0.805 288 L CB 0.567 42.691 42.059 0.108 0.000 1.193 288 L HN 0.210 nan 8.230 nan 0.000 0.426 289 F N 1.251 121.385 119.950 0.306 0.000 2.629 289 F HA 0.051 4.578 4.527 -0.000 0.000 0.369 289 F C 1.151 177.031 175.800 0.133 0.000 1.125 289 F CA 0.744 58.891 58.000 0.244 0.000 1.330 289 F CB 0.380 39.535 39.000 0.259 0.000 1.071 289 F HN 0.418 nan 8.300 nan 0.000 0.595 290 S N 0.724 116.537 115.700 0.189 0.000 2.473 290 S HA 0.589 5.059 4.470 -0.000 0.000 0.307 290 S C 0.445 175.115 174.600 0.116 0.000 1.094 290 S CA -0.000 58.270 58.200 0.117 0.000 1.070 290 S CB 1.376 64.600 63.200 0.041 0.000 1.019 290 S HN 1.052 nan 8.310 nan 0.000 0.480 291 G N 1.404 110.305 108.800 0.168 0.000 2.159 291 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.170 291 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.170 291 G C 0.049 175.076 174.900 0.211 0.000 1.007 291 G CA -0.112 45.105 45.100 0.194 0.000 0.672 291 G HN 1.184 nan 8.290 nan 0.000 0.507 292 C N 2.245 121.669 119.300 0.207 0.000 2.656 292 C HA 0.487 4.947 4.460 -0.000 0.000 0.339 292 C C 0.776 175.872 174.990 0.177 0.000 0.788 292 C CA 0.322 59.452 59.018 0.187 0.000 0.990 292 C CB -1.246 26.608 27.740 0.190 0.000 1.496 292 C HN 1.345 nan 8.230 nan 0.000 0.674 293 T N 0.915 115.562 114.554 0.155 0.000 2.866 293 T HA 0.466 4.816 4.350 -0.000 0.000 0.293 293 T C 1.247 176.027 174.700 0.132 0.000 1.005 293 T CA 1.282 63.468 62.100 0.144 0.000 1.162 293 T CB 1.167 70.104 68.868 0.115 0.000 0.968 293 T HN 2.173 nan 8.240 nan 0.000 0.530 294 G N 3.361 112.241 108.800 0.132 0.000 2.083 294 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.199 294 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.199 294 G C 0.827 175.795 174.900 0.113 0.000 2.367 294 G CA -0.039 45.128 45.100 0.112 0.000 1.555 294 G HN 0.656 nan 8.290 nan 0.000 0.490 295 I N 2.097 122.732 120.570 0.108 0.000 2.147 295 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 295 I C 2.152 178.399 176.117 0.216 0.000 1.059 295 I CA 2.627 63.983 61.300 0.094 0.000 1.320 295 I CB -1.775 36.275 38.000 0.082 0.000 1.021 295 I HN 0.498 nan 8.210 nan 0.000 0.415 296 N N 0.545 119.402 118.700 0.262 0.000 2.092 296 N HA -0.157 4.583 4.740 -0.000 0.000 0.189 296 N C 1.498 177.123 175.510 0.193 0.000 1.040 296 N CA 1.155 54.367 53.050 0.270 0.000 0.845 296 N CB -0.113 38.511 38.487 0.229 0.000 1.017 296 N HN 0.289 nan 8.380 nan 0.000 0.426 297 D N 0.766 121.255 120.400 0.149 0.000 2.200 297 D HA -0.194 4.446 4.640 -0.000 0.000 0.192 297 D C 1.580 177.947 176.300 0.112 0.000 1.008 297 D CA 1.362 55.432 54.000 0.115 0.000 0.872 297 D CB -0.005 40.853 40.800 0.096 0.000 0.923 297 D HN 0.266 nan 8.370 nan 0.000 0.447 298 K N -0.985 119.485 120.400 0.116 0.000 2.202 298 K HA 0.025 4.345 4.320 -0.000 0.000 0.201 298 K C 1.951 178.631 176.600 0.132 0.000 1.051 298 K CA 1.214 57.561 56.287 0.099 0.000 0.977 298 K CB 0.349 32.892 32.500 0.071 0.000 0.792 298 K HN 0.240 nan 8.250 nan 0.000 0.469 299 T N -1.517 113.146 114.554 0.181 0.000 3.001 299 T HA 0.094 4.444 4.350 -0.000 0.000 0.251 299 T C 0.953 175.826 174.700 0.289 0.000 1.040 299 T CA -0.295 61.947 62.100 0.237 0.000 0.985 299 T CB 0.329 69.360 68.868 0.272 0.000 1.011 299 T HN 0.068 nan 8.240 nan 0.000 0.509 300 L N 0.836 122.212 121.223 0.255 0.000 4.429 300 L HA -0.154 4.186 4.340 -0.000 0.000 0.422 300 L C 0.785 177.750 176.870 0.159 0.000 1.149 300 L CA 1.355 56.335 54.840 0.233 0.000 0.972 300 L CB -1.894 40.375 42.059 0.351 0.000 2.059 300 L HN 1.101 nan 8.230 nan 0.000 0.870 301 G N -1.620 107.302 108.800 0.203 0.000 2.526 301 G HA2 0.273 4.233 3.960 -0.000 0.000 0.250 301 G HA3 0.273 4.233 3.960 -0.000 0.000 0.250 301 G C -0.262 174.620 174.900 -0.030 0.000 1.289 301 G CA -0.263 44.862 45.100 0.041 0.000 0.947 301 G HN 1.597 nan 8.290 nan 0.000 0.517 302 A N 0.336 122.962 122.820 -0.323 0.000 2.394 302 A HA 0.767 5.087 4.320 -0.000 0.000 0.333 302 A C 0.567 177.954 177.584 -0.328 0.000 1.397 302 A CA -0.089 51.777 52.037 -0.286 0.000 0.884 302 A CB 0.270 19.001 19.000 -0.448 0.000 1.147 302 A HN 0.718 nan 8.150 nan 0.000 0.505 303 R N 1.141 121.475 120.500 -0.276 0.000 2.490 303 R HA 0.404 4.744 4.340 -0.000 0.000 0.280 303 R C 1.061 177.208 176.300 -0.255 0.000 1.077 303 R CA 0.443 56.354 56.100 -0.316 0.000 1.065 303 R CB 0.958 30.999 30.300 -0.432 0.000 1.003 303 R HN 0.771 nan 8.270 nan 0.000 0.470 304 G N 0.100 108.750 108.800 -0.249 0.000 2.559 304 G HA2 0.288 4.248 3.960 -0.000 0.000 0.235 304 G HA3 0.288 4.248 3.960 -0.000 0.000 0.235 304 G C 0.951 175.752 174.900 -0.165 0.000 1.266 304 G CA 0.172 45.144 45.100 -0.214 0.000 0.847 304 G HN 0.763 nan 8.290 nan 0.000 0.583 305 G N 0.324 109.027 108.800 -0.161 0.000 2.284 305 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.261 305 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.261 305 G C 0.536 175.382 174.900 -0.090 0.000 0.997 305 G CA 0.855 45.878 45.100 -0.129 0.000 0.621 305 G HN 0.812 nan 8.290 nan 0.000 0.534 306 E N -0.618 119.530 120.200 -0.087 0.000 2.435 306 E HA 0.400 4.750 4.350 -0.000 0.000 0.256 306 E C -0.282 176.309 176.600 -0.015 0.000 1.245 306 E CA 0.235 56.610 56.400 -0.041 0.000 0.989 306 E CB 1.231 30.906 29.700 -0.042 0.000 0.983 306 E HN 0.171 nan 8.360 nan 0.000 0.480 307 V N 3.003 122.934 119.914 0.029 0.000 2.380 307 V HA 0.135 4.255 4.120 -0.000 0.000 0.272 307 V C -0.430 175.720 176.094 0.093 0.000 1.011 307 V CA -0.508 61.825 62.300 0.056 0.000 0.826 307 V CB 0.738 32.593 31.823 0.054 0.000 1.040 307 V HN 0.419 nan 8.190 nan 0.000 0.441 308 I N 4.922 125.574 120.570 0.136 0.000 2.529 308 I HA 0.336 4.506 4.170 -0.000 0.000 0.284 308 I C 0.074 176.284 176.117 0.154 0.000 1.082 308 I CA 0.118 61.533 61.300 0.191 0.000 1.406 308 I CB 1.158 39.367 38.000 0.350 0.000 1.405 308 I HN 0.636 nan 8.210 nan 0.000 0.548 309 M N 7.265 126.933 119.600 0.114 0.000 2.093 309 M HA 0.437 4.917 4.480 -0.000 0.000 0.297 309 M C -1.555 174.775 176.300 0.050 0.000 0.938 309 M CA -0.426 54.922 55.300 0.081 0.000 0.920 309 M CB 1.314 33.947 32.600 0.056 0.000 1.517 309 M HN 0.265 nan 8.290 nan 0.000 0.427 310 V N 3.573 123.525 119.914 0.062 0.000 2.465 310 V HA 0.686 4.805 4.120 -0.000 0.000 0.279 310 V C 0.159 176.248 176.094 -0.009 0.000 1.045 310 V CA -0.341 61.968 62.300 0.015 0.000 0.938 310 V CB 1.226 33.098 31.823 0.081 0.000 0.986 310 V HN 0.905 nan 8.190 nan 0.000 0.467 311 T N 2.573 117.092 114.554 -0.058 0.000 2.864 311 T HA 0.799 5.149 4.350 -0.000 0.000 0.299 311 T C -0.742 173.899 174.700 -0.098 0.000 1.166 311 T CA 0.354 62.422 62.100 -0.054 0.000 1.007 311 T CB 1.823 70.669 68.868 -0.037 0.000 1.219 311 T HN 1.413 nan 8.240 nan 0.000 0.506 312 S N 0.681 116.315 115.700 -0.109 0.000 2.707 312 S HA 0.536 5.006 4.470 -0.000 0.000 0.268 312 S C 0.501 174.975 174.600 -0.209 0.000 1.004 312 S CA -0.157 57.969 58.200 -0.123 0.000 0.902 312 S CB -0.076 63.038 63.200 -0.142 0.000 1.157 312 S HN 1.301 nan 8.310 nan 0.000 0.468 313 G N 1.187 109.902 108.800 -0.143 0.000 2.313 313 G HA2 0.249 4.209 3.960 -0.000 0.000 0.283 313 G HA3 0.249 4.209 3.960 -0.000 0.000 0.283 313 G C 1.194 175.870 174.900 -0.373 0.000 1.476 313 G CA 0.438 45.322 45.100 -0.361 0.000 1.054 313 G HN 1.504 nan 8.290 nan 0.000 0.550 314 S N -0.252 115.275 115.700 -0.288 0.000 2.461 314 S HA -0.070 4.400 4.470 -0.000 0.000 0.249 314 S C 1.753 176.181 174.600 -0.287 0.000 1.012 314 S CA 1.157 59.196 58.200 -0.268 0.000 0.982 314 S CB -1.165 61.943 63.200 -0.153 0.000 0.764 314 S HN 1.224 nan 8.310 nan 0.000 0.506 315 G N 2.471 111.114 108.800 -0.263 0.000 2.862 315 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.303 315 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.303 315 G C 0.656 175.429 174.900 -0.211 0.000 0.335 315 G CA 0.626 45.589 45.100 -0.228 0.000 1.186 315 G HN 0.535 nan 8.290 nan 0.000 0.190 316 M N 3.647 123.147 119.600 -0.166 0.000 2.394 316 M HA -0.062 4.418 4.480 -0.000 0.000 0.266 316 M C 2.169 178.399 176.300 -0.117 0.000 1.098 316 M CA 1.530 56.761 55.300 -0.115 0.000 1.149 316 M CB -0.661 31.864 32.600 -0.125 0.000 1.369 316 M HN 0.339 nan 8.290 nan 0.000 0.450 317 V N 1.689 121.495 119.914 -0.179 0.000 2.280 317 V HA -0.393 3.727 4.120 -0.000 0.000 0.258 317 V C 2.790 178.859 176.094 -0.043 0.000 1.081 317 V CA 2.810 65.027 62.300 -0.139 0.000 1.070 317 V CB -1.475 30.255 31.823 -0.156 0.000 0.666 317 V HN 0.641 nan 8.190 nan 0.000 0.450 318 M N -0.222 119.338 119.600 -0.067 0.000 2.067 318 M HA -0.174 4.306 4.480 -0.000 0.000 0.260 318 M C 2.377 178.718 176.300 0.070 0.000 1.069 318 M CA 2.327 57.621 55.300 -0.010 0.000 1.117 318 M CB -0.188 32.376 32.600 -0.060 0.000 1.334 318 M HN 0.427 nan 8.290 nan 0.000 0.407 319 S N -0.488 115.237 115.700 0.041 0.000 2.474 319 S HA -0.088 4.382 4.470 -0.000 0.000 0.235 319 S C 1.539 176.150 174.600 0.019 0.000 0.997 319 S CA 1.457 59.689 58.200 0.053 0.000 0.949 319 S CB -0.184 63.052 63.200 0.060 0.000 0.766 319 S HN 0.569 nan 8.310 nan 0.000 0.517 320 T N 0.547 115.108 114.554 0.012 0.000 2.852 320 T HA 0.074 4.423 4.350 -0.000 0.000 0.256 320 T C 1.300 175.976 174.700 -0.041 0.000 1.038 320 T CA 0.746 62.828 62.100 -0.030 0.000 1.141 320 T CB -0.396 68.482 68.868 0.018 0.000 0.869 320 T HN 0.506 nan 8.240 nan 0.000 0.439 321 F N 2.107 122.001 119.950 -0.094 0.000 2.091 321 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 321 F C 2.185 177.918 175.800 -0.112 0.000 1.103 321 F CA 1.150 59.094 58.000 -0.093 0.000 1.228 321 F CB -0.483 38.474 39.000 -0.072 0.000 0.984 321 F HN -0.107 nan 8.300 nan 0.000 0.477 322 V N 0.410 120.335 119.914 0.018 0.000 2.343 322 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 322 V C 2.491 178.462 176.094 -0.206 0.000 1.051 322 V CA 2.261 64.513 62.300 -0.080 0.000 1.036 322 V CB -0.757 31.104 31.823 0.062 0.000 0.654 322 V HN 0.259 nan 8.190 nan 0.000 0.451 323 R N -0.367 120.037 120.500 -0.160 0.000 2.080 323 R HA -0.242 4.098 4.340 -0.000 0.000 0.236 323 R C 2.471 178.587 176.300 -0.308 0.000 1.137 323 R CA 2.157 58.147 56.100 -0.184 0.000 0.943 323 R CB -0.379 29.820 30.300 -0.169 0.000 0.846 323 R HN 0.564 nan 8.270 nan 0.000 0.431 324 Q N -0.326 119.214 119.800 -0.432 0.000 2.045 324 Q HA -0.295 4.045 4.340 -0.000 0.000 0.206 324 Q C 2.179 177.882 176.000 -0.494 0.000 0.991 324 Q CA 2.235 57.707 55.803 -0.552 0.000 0.851 324 Q CB -0.036 28.358 28.738 -0.572 0.000 0.911 324 Q HN 0.262 nan 8.270 nan 0.000 0.418 325 Q N -0.342 119.055 119.800 -0.670 0.000 2.061 325 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 325 Q C 1.892 177.319 176.000 -0.955 0.000 0.984 325 Q CA 1.897 57.080 55.803 -1.033 0.000 0.846 325 Q CB -0.560 27.421 28.738 -1.262 0.000 0.902 325 Q HN 0.505 nan 8.270 nan 0.000 0.421 326 A N 0.482 123.017 122.820 -0.475 0.000 1.896 326 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 326 A C 2.039 179.708 177.584 0.141 0.000 1.206 326 A CA 1.728 53.748 52.037 -0.029 0.000 0.647 326 A CB -1.086 17.954 19.000 0.067 0.000 0.828 326 A HN 0.461 nan 8.150 nan 0.000 0.455 327 L N -0.675 120.544 121.223 -0.006 0.000 1.944 327 L HA -0.304 4.036 4.340 -0.000 0.000 0.218 327 L C 3.067 180.022 176.870 0.141 0.000 1.075 327 L CA 2.714 57.595 54.840 0.068 0.000 0.767 327 L CB -0.691 41.325 42.059 -0.071 0.000 0.890 327 L HN 0.797 nan 8.230 nan 0.000 0.434 328 Q N -1.171 118.636 119.800 0.011 0.000 2.224 328 Q HA -0.229 4.111 4.340 -0.000 0.000 0.203 328 Q C 1.862 177.963 176.000 0.168 0.000 0.970 328 Q CA 1.666 57.517 55.803 0.079 0.000 0.865 328 Q CB -0.405 28.361 28.738 0.046 0.000 0.922 328 Q HN 0.442 nan 8.270 nan 0.000 0.445 329 W N 0.383 121.696 121.300 0.022 0.000 2.402 329 W HA 0.242 4.902 4.660 -0.000 0.000 0.286 329 W C 1.969 178.435 176.519 -0.089 0.000 1.221 329 W CA 1.079 58.398 57.345 -0.043 0.000 1.257 329 W CB -0.859 28.560 29.460 -0.068 0.000 1.120 329 W HN 0.387 nan 8.180 nan 0.000 0.551 330 G N -1.046 107.831 108.800 0.128 0.000 3.233 330 G HA2 0.112 4.072 3.960 -0.000 0.000 0.227 330 G HA3 0.112 4.072 3.960 -0.000 0.000 0.227 330 G C 0.978 175.839 174.900 -0.065 0.000 1.175 330 G CA 1.277 46.223 45.100 -0.256 0.000 0.781 330 G HN 0.266 nan 8.290 nan 0.000 0.542 331 T N -3.999 110.609 114.554 0.089 0.000 3.550 331 T HA 0.394 4.744 4.350 -0.000 0.000 0.261 331 T C 2.412 177.162 174.700 0.082 0.000 0.990 331 T CA 1.192 63.349 62.100 0.095 0.000 1.142 331 T CB -0.241 68.699 68.868 0.120 0.000 1.173 331 T HN 0.135 nan 8.240 nan 0.000 0.405 332 A N 3.019 125.903 122.820 0.106 0.000 1.835 332 A HA 0.255 4.575 4.320 -0.000 0.000 0.215 332 A C 1.420 179.044 177.584 0.066 0.000 1.199 332 A CA 1.112 53.202 52.037 0.088 0.000 0.615 332 A CB -0.827 18.234 19.000 0.103 0.000 0.838 332 A HN 0.527 nan 8.150 nan 0.000 0.444 333 M N -1.184 118.468 119.600 0.086 0.000 2.157 333 M HA 0.289 4.769 4.480 -0.000 0.000 0.304 333 M C 1.547 177.851 176.300 0.007 0.000 1.171 333 M CA 0.245 55.570 55.300 0.042 0.000 1.157 333 M CB -0.728 31.901 32.600 0.047 0.000 1.403 333 M HN 0.238 nan 8.290 nan 0.000 0.473 334 G N 0.700 109.482 108.800 -0.030 0.000 2.551 334 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.216 334 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.216 334 G C 0.554 175.411 174.900 -0.072 0.000 1.137 334 G CA -0.103 44.971 45.100 -0.044 0.000 0.798 334 G HN 0.543 nan 8.290 nan 0.000 0.536 335 K N 1.204 121.550 120.400 -0.090 0.000 2.524 335 K HA 0.026 4.346 4.320 -0.000 0.000 0.279 335 K C -0.085 176.430 176.600 -0.141 0.000 0.993 335 K CA 0.263 56.477 56.287 -0.122 0.000 1.030 335 K CB 0.868 33.268 32.500 -0.166 0.000 0.891 335 K HN 0.107 nan 8.250 nan 0.000 0.488 336 K N 2.326 122.649 120.400 -0.129 0.000 2.338 336 K HA 0.120 4.440 4.320 -0.000 0.000 0.290 336 K C -0.476 176.070 176.600 -0.091 0.000 1.069 336 K CA -0.282 55.934 56.287 -0.118 0.000 0.941 336 K CB 0.629 33.083 32.500 -0.077 0.000 1.023 336 K HN 0.240 nan 8.250 nan 0.000 0.477 337 V N 2.635 122.462 119.914 -0.145 0.000 2.509 337 V HA 0.380 4.500 4.120 -0.000 0.000 0.284 337 V C 0.692 176.873 176.094 0.145 0.000 1.047 337 V CA -0.731 61.580 62.300 0.019 0.000 0.952 337 V CB 1.595 33.465 31.823 0.078 0.000 0.988 337 V HN 0.877 nan 8.190 nan 0.000 0.469 338 G N 4.454 113.354 108.800 0.166 0.000 2.416 338 G HA2 0.703 4.663 3.960 -0.000 0.000 0.324 338 G HA3 0.703 4.663 3.960 -0.000 0.000 0.324 338 G C -1.179 173.848 174.900 0.212 0.000 1.194 338 G CA -0.572 44.651 45.100 0.205 0.000 0.922 338 G HN 0.585 nan 8.290 nan 0.000 0.467 339 L N 1.640 122.997 121.223 0.224 0.000 2.356 339 L HA 0.662 5.002 4.340 -0.000 0.000 0.277 339 L C 0.201 177.178 176.870 0.179 0.000 0.996 339 L CA -1.044 53.911 54.840 0.192 0.000 0.822 339 L CB 2.422 44.595 42.059 0.190 0.000 1.256 339 L HN 0.610 nan 8.230 nan 0.000 0.413 340 A N 4.133 127.024 122.820 0.119 0.000 2.786 340 A HA 0.583 4.903 4.320 -0.000 0.000 0.346 340 A C -0.340 177.244 177.584 -0.000 0.000 1.265 340 A CA -0.447 51.609 52.037 0.031 0.000 0.858 340 A CB 0.267 19.201 19.000 -0.110 0.000 1.118 340 A HN 0.617 nan 8.150 nan 0.000 0.482 341 M N 3.125 122.755 119.600 0.050 0.000 2.974 341 M HA 0.268 4.748 4.480 -0.000 0.000 0.301 341 M C 0.863 177.171 176.300 0.014 0.000 1.409 341 M CA -0.705 54.621 55.300 0.042 0.000 1.515 341 M CB -0.377 32.264 32.600 0.068 0.000 1.163 341 M HN 0.654 nan 8.290 nan 0.000 0.520 342 L N 0.183 121.378 121.223 -0.046 0.000 2.265 342 L HA -0.155 4.185 4.340 -0.000 0.000 0.215 342 L C 1.876 178.716 176.870 -0.051 0.000 1.117 342 L CA 0.683 55.476 54.840 -0.078 0.000 0.782 342 L CB -0.456 41.512 42.059 -0.151 0.000 0.914 342 L HN 0.543 nan 8.230 nan 0.000 0.441 343 E N 0.806 120.981 120.200 -0.040 0.000 2.028 343 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 343 E C 0.891 177.488 176.600 -0.004 0.000 0.988 343 E CA 0.841 57.220 56.400 -0.034 0.000 0.799 343 E CB 0.112 29.817 29.700 0.008 0.000 0.755 343 E HN 0.668 nan 8.360 nan 0.000 0.447 344 E N -0.038 120.176 120.200 0.023 0.000 2.281 344 E HA 0.383 4.733 4.350 -0.000 0.000 0.257 344 E C -0.104 176.527 176.600 0.052 0.000 0.971 344 E CA -0.678 55.743 56.400 0.035 0.000 0.839 344 E CB 1.223 30.948 29.700 0.043 0.000 1.238 344 E HN -0.063 nan 8.360 nan 0.000 0.412 345 S N -0.240 115.492 115.700 0.053 0.000 2.624 345 S HA 0.023 4.493 4.470 -0.000 0.000 0.263 345 S C 0.952 175.600 174.600 0.079 0.000 1.287 345 S CA -0.235 58.005 58.200 0.066 0.000 0.990 345 S CB 1.400 64.634 63.200 0.056 0.000 0.950 345 S HN 0.519 nan 8.310 nan 0.000 0.561 346 V N 1.378 121.342 119.914 0.084 0.000 2.591 346 V HA -0.061 4.059 4.120 -0.000 0.000 0.249 346 V C 2.507 178.647 176.094 0.076 0.000 1.053 346 V CA 1.951 64.301 62.300 0.083 0.000 1.068 346 V CB -1.040 30.829 31.823 0.078 0.000 0.689 346 V HN 0.941 nan 8.190 nan 0.000 0.462 347 E N -0.121 120.126 120.200 0.078 0.000 2.051 347 E HA -0.295 4.055 4.350 -0.000 0.000 0.192 347 E C 1.963 178.628 176.600 0.107 0.000 0.991 347 E CA 1.733 58.191 56.400 0.097 0.000 0.799 347 E CB -0.508 29.242 29.700 0.084 0.000 0.748 347 E HN 0.733 nan 8.360 nan 0.000 0.449 348 E N 0.589 120.841 120.200 0.086 0.000 2.023 348 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 348 E C 2.353 179.005 176.600 0.087 0.000 1.003 348 E CA 2.237 58.686 56.400 0.081 0.000 0.809 348 E CB -0.294 29.443 29.700 0.063 0.000 0.755 348 E HN 0.460 nan 8.360 nan 0.000 0.449 349 T N -0.202 114.400 114.554 0.079 0.000 2.720 349 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 349 T C 2.035 176.789 174.700 0.090 0.000 1.037 349 T CA 1.656 63.799 62.100 0.072 0.000 1.144 349 T CB -0.304 68.606 68.868 0.069 0.000 0.864 349 T HN 0.183 nan 8.240 nan 0.000 0.444 350 A N 1.664 124.556 122.820 0.120 0.000 1.948 350 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 350 A C 2.264 179.995 177.584 0.244 0.000 1.177 350 A CA 1.997 54.160 52.037 0.211 0.000 0.636 350 A CB -0.767 18.340 19.000 0.179 0.000 0.815 350 A HN 0.808 nan 8.150 nan 0.000 0.449 351 E N -0.284 120.038 120.200 0.203 0.000 2.047 351 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 351 E C 1.463 178.137 176.600 0.125 0.000 0.987 351 E CA 1.042 57.564 56.400 0.203 0.000 0.799 351 E CB -0.286 29.521 29.700 0.177 0.000 0.752 351 E HN 0.526 nan 8.360 nan 0.000 0.449 352 D N 0.968 121.417 120.400 0.081 0.000 2.182 352 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 352 D C 2.084 178.366 176.300 -0.029 0.000 0.986 352 D CA 0.742 54.759 54.000 0.028 0.000 0.847 352 D CB -0.046 40.764 40.800 0.016 0.000 0.942 352 D HN 0.138 nan 8.370 nan 0.000 0.467 353 L N 0.471 121.666 121.223 -0.046 0.000 1.948 353 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 353 L C 2.650 179.408 176.870 -0.185 0.000 1.074 353 L CA 0.831 55.571 54.840 -0.167 0.000 0.753 353 L CB -0.473 41.447 42.059 -0.232 0.000 0.888 353 L HN -0.001 nan 8.230 nan 0.000 0.432 354 I N -0.028 120.432 120.570 -0.183 0.000 2.121 354 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 354 I C 2.532 178.620 176.117 -0.049 0.000 1.047 354 I CA 1.850 63.070 61.300 -0.133 0.000 1.308 354 I CB -0.880 37.159 38.000 0.064 0.000 1.015 354 I HN 0.396 nan 8.210 nan 0.000 0.410 355 G N 0.340 109.159 108.800 0.032 0.000 2.418 355 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 355 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 355 G C 1.568 176.465 174.900 -0.004 0.000 1.158 355 G CA 0.456 45.576 45.100 0.033 0.000 0.771 355 G HN 0.235 nan 8.290 nan 0.000 0.545 356 L N 0.256 121.471 121.223 -0.014 0.000 2.131 356 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 356 L C 2.332 179.340 176.870 0.229 0.000 1.092 356 L CA 1.967 56.803 54.840 -0.006 0.000 0.759 356 L CB -0.887 41.020 42.059 -0.253 0.000 0.903 356 L HN 0.483 nan 8.230 nan 0.000 0.435 357 H N -1.126 117.914 119.070 -0.050 0.000 2.462 357 H HA -0.038 4.518 4.556 -0.000 0.000 0.292 357 H C 0.689 175.925 175.328 -0.153 0.000 1.049 357 H CA 1.296 57.309 56.048 -0.058 0.000 1.334 357 H CB 0.425 30.039 29.762 -0.247 0.000 1.404 357 H HN 0.384 nan 8.280 nan 0.000 0.544 358 N N 0.677 119.182 118.700 -0.324 0.000 2.251 358 N HA 0.025 4.765 4.740 -0.000 0.000 0.217 358 N C -0.394 174.931 175.510 -0.308 0.000 1.124 358 N CA -0.187 52.516 53.050 -0.578 0.000 0.843 358 N CB 0.368 38.119 38.487 -1.227 0.000 1.024 358 N HN 0.123 nan 8.380 nan 0.000 0.501 359 R N -0.749 119.713 120.500 -0.064 0.000 3.322 359 R HA -0.134 4.206 4.340 -0.000 0.000 0.253 359 R C -0.726 175.576 176.300 0.004 0.000 0.987 359 R CA 0.536 56.650 56.100 0.023 0.000 0.666 359 R CB -3.084 27.109 30.300 -0.178 0.000 1.072 359 R HN 0.221 nan 8.270 nan 0.000 0.447 360 V N -3.171 116.757 119.914 0.023 0.000 2.888 360 V HA 0.598 4.718 4.120 -0.000 0.000 0.309 360 V C 0.462 176.604 176.094 0.080 0.000 1.114 360 V CA -1.360 60.972 62.300 0.053 0.000 0.940 360 V CB 2.804 34.677 31.823 0.084 0.000 1.021 360 V HN 0.142 nan 8.190 nan 0.000 0.426 361 R N 3.406 123.955 120.500 0.082 0.000 2.893 361 R HA 0.224 4.564 4.340 -0.000 0.000 0.243 361 R C 0.573 176.934 176.300 0.101 0.000 1.481 361 R CA -0.357 55.793 56.100 0.084 0.000 1.250 361 R CB 0.407 30.752 30.300 0.075 0.000 1.213 361 R HN 0.844 nan 8.270 nan 0.000 0.609 362 L N 3.785 125.080 121.223 0.120 0.000 1.988 362 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 362 L C 2.231 179.175 176.870 0.125 0.000 1.071 362 L CA 1.801 56.736 54.840 0.158 0.000 0.744 362 L CB -0.251 41.938 42.059 0.218 0.000 0.893 362 L HN 0.400 nan 8.230 nan 0.000 0.433 363 R N -0.685 119.879 120.500 0.106 0.000 2.096 363 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 363 R C 1.540 177.882 176.300 0.070 0.000 1.127 363 R CA 1.220 57.371 56.100 0.085 0.000 0.968 363 R CB -0.919 29.427 30.300 0.075 0.000 0.861 363 R HN 0.431 nan 8.270 nan 0.000 0.440 364 Q N 1.477 121.319 119.800 0.071 0.000 2.362 364 Q HA 0.086 4.426 4.340 -0.000 0.000 0.215 364 Q C -0.344 175.692 176.000 0.059 0.000 0.944 364 Q CA 0.238 56.079 55.803 0.062 0.000 0.964 364 Q CB 0.427 29.205 28.738 0.067 0.000 0.998 364 Q HN 0.175 nan 8.270 nan 0.000 0.488 365 S N -0.631 115.104 115.700 0.059 0.000 2.461 365 S HA 0.086 4.556 4.470 -0.000 0.000 0.245 365 S C -0.069 174.559 174.600 0.047 0.000 1.039 365 S CA -0.686 57.547 58.200 0.054 0.000 1.077 365 S CB 0.655 63.894 63.200 0.065 0.000 1.171 365 S HN 0.227 nan 8.310 nan 0.000 0.433 366 D N 3.840 124.260 120.400 0.034 0.000 2.127 366 D HA -0.190 4.450 4.640 -0.000 0.000 0.190 366 D C 2.077 178.389 176.300 0.021 0.000 1.000 366 D CA 2.856 56.870 54.000 0.023 0.000 0.839 366 D CB -0.299 40.511 40.800 0.017 0.000 0.955 366 D HN 0.656 nan 8.370 nan 0.000 0.446 367 S N 0.014 115.728 115.700 0.024 0.000 2.359 367 S HA -0.189 4.281 4.470 -0.000 0.000 0.224 367 S C 2.372 176.985 174.600 0.022 0.000 1.035 367 S CA 1.240 59.452 58.200 0.020 0.000 1.018 367 S CB -0.888 62.325 63.200 0.022 0.000 0.876 367 S HN 0.432 nan 8.310 nan 0.000 0.448 368 L N 0.707 121.955 121.223 0.040 0.000 2.109 368 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 368 L C 2.582 179.476 176.870 0.040 0.000 1.086 368 L CA 1.593 56.465 54.840 0.053 0.000 0.760 368 L CB -0.498 41.620 42.059 0.099 0.000 0.910 368 L HN 0.330 nan 8.230 nan 0.000 0.437 369 K N -0.141 120.285 120.400 0.044 0.000 2.001 369 K HA -0.259 4.061 4.320 -0.000 0.000 0.214 369 K C 2.255 178.843 176.600 -0.019 0.000 1.050 369 K CA 2.056 58.358 56.287 0.026 0.000 0.934 369 K CB -0.349 32.163 32.500 0.021 0.000 0.718 369 K HN 0.216 nan 8.250 nan 0.000 0.443 370 R N 1.445 121.933 120.500 -0.020 0.000 2.096 370 R HA -0.216 4.124 4.340 -0.000 0.000 0.240 370 R C 1.777 178.051 176.300 -0.042 0.000 1.139 370 R CA 1.871 57.950 56.100 -0.035 0.000 0.952 370 R CB -0.535 29.752 30.300 -0.022 0.000 0.854 370 R HN 0.289 nan 8.270 nan 0.000 0.436 371 E N 0.957 121.138 120.200 -0.032 0.000 2.035 371 E HA -0.226 4.124 4.350 -0.000 0.000 0.204 371 E C 2.106 178.659 176.600 -0.077 0.000 1.025 371 E CA 2.248 58.623 56.400 -0.042 0.000 0.835 371 E CB -0.359 29.326 29.700 -0.025 0.000 0.764 371 E HN 0.664 nan 8.360 nan 0.000 0.457 372 I N -1.252 119.250 120.570 -0.113 0.000 2.676 372 I HA -0.169 4.001 4.170 -0.000 0.000 0.259 372 I C 2.068 178.128 176.117 -0.095 0.000 1.194 372 I CA 0.670 61.854 61.300 -0.194 0.000 1.473 372 I CB -0.191 37.572 38.000 -0.395 0.000 1.096 372 I HN -0.005 nan 8.210 nan 0.000 0.443 373 I N 2.090 122.612 120.570 -0.079 0.000 2.179 373 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 373 I C 2.553 178.634 176.117 -0.061 0.000 1.088 373 I CA 1.768 63.010 61.300 -0.096 0.000 1.357 373 I CB -1.021 36.892 38.000 -0.145 0.000 1.051 373 I HN 0.419 nan 8.210 nan 0.000 0.409 374 E N 1.123 121.287 120.200 -0.060 0.000 2.051 374 E HA -0.173 4.177 4.350 -0.000 0.000 0.189 374 E C 1.415 177.990 176.600 -0.042 0.000 0.979 374 E CA 1.097 57.470 56.400 -0.046 0.000 0.803 374 E CB -0.315 29.360 29.700 -0.041 0.000 0.761 374 E HN 0.527 nan 8.360 nan 0.000 0.451 375 N N 0.454 119.120 118.700 -0.056 0.000 2.501 375 N HA -0.029 4.711 4.740 -0.000 0.000 0.195 375 N C 1.134 176.606 175.510 -0.064 0.000 1.213 375 N CA 1.002 54.017 53.050 -0.057 0.000 0.864 375 N CB 0.193 38.641 38.487 -0.066 0.000 0.999 375 N HN 0.261 nan 8.380 nan 0.000 0.454 376 G N 0.554 109.323 108.800 -0.052 0.000 2.220 376 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.269 376 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.269 376 G C 1.051 175.901 174.900 -0.084 0.000 0.977 376 G CA 0.727 45.806 45.100 -0.035 0.000 0.634 376 G HN 0.497 nan 8.290 nan 0.000 0.539 377 K N -0.757 119.523 120.400 -0.201 0.000 2.147 377 K HA -0.004 4.316 4.320 -0.000 0.000 0.205 377 K C 2.079 178.353 176.600 -0.542 0.000 1.049 377 K CA 1.388 57.403 56.287 -0.453 0.000 0.936 377 K CB -0.203 31.882 32.500 -0.692 0.000 0.722 377 K HN 0.506 nan 8.250 nan 0.000 0.446 378 F N 2.942 122.655 119.950 -0.395 0.000 2.046 378 F HA -0.234 4.293 4.527 -0.000 0.000 0.297 378 F C 1.760 177.581 175.800 0.036 0.000 1.123 378 F CA 1.689 59.586 58.000 -0.171 0.000 1.199 378 F CB -0.264 38.684 39.000 -0.086 0.000 0.972 378 F HN 0.000 nan 8.300 nan 0.000 0.474 379 D N -0.176 120.196 120.400 -0.046 0.000 2.263 379 D HA -0.210 4.430 4.640 -0.000 0.000 0.208 379 D C 2.072 178.347 176.300 -0.041 0.000 0.971 379 D CA 1.190 55.125 54.000 -0.109 0.000 0.867 379 D CB -0.248 40.583 40.800 0.052 0.000 0.929 379 D HN 0.564 nan 8.370 nan 0.000 0.492 380 Q N -0.516 119.270 119.800 -0.024 0.000 2.061 380 Q HA -0.114 4.225 4.340 -0.000 0.000 0.195 380 Q C 1.986 178.102 176.000 0.194 0.000 0.967 380 Q CA 0.683 56.525 55.803 0.066 0.000 0.829 380 Q CB 0.054 28.815 28.738 0.038 0.000 0.900 380 Q HN 0.187 nan 8.270 nan 0.000 0.450 381 W N 0.211 121.490 121.300 -0.035 0.000 2.358 381 W HA -0.169 4.491 4.660 -0.000 0.000 0.303 381 W C 2.070 178.528 176.519 -0.101 0.000 1.208 381 W CA 0.622 57.939 57.345 -0.047 0.000 1.274 381 W CB -1.151 28.287 29.460 -0.037 0.000 1.138 381 W HN 0.263 nan 8.180 nan 0.000 0.515 382 F N 1.629 121.522 119.950 -0.096 0.000 2.075 382 F HA -0.254 4.272 4.527 -0.000 0.000 0.297 382 F C 2.106 177.879 175.800 -0.044 0.000 1.113 382 F CA 2.272 60.156 58.000 -0.194 0.000 1.218 382 F CB -0.422 38.270 39.000 -0.513 0.000 0.984 382 F HN -0.306 nan 8.300 nan 0.000 0.472 383 D N 0.556 121.168 120.400 0.353 0.000 2.103 383 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 383 D C 2.201 178.549 176.300 0.081 0.000 0.997 383 D CA 1.521 55.665 54.000 0.241 0.000 0.833 383 D CB -0.681 40.230 40.800 0.186 0.000 0.961 383 D HN 0.301 nan 8.370 nan 0.000 0.447 384 E N 0.178 120.425 120.200 0.078 0.000 2.095 384 E HA -0.223 4.127 4.350 -0.000 0.000 0.212 384 E C 2.209 178.784 176.600 -0.042 0.000 1.044 384 E CA 0.937 57.370 56.400 0.054 0.000 0.857 384 E CB -0.497 29.268 29.700 0.108 0.000 0.764 384 E HN 0.264 nan 8.360 nan 0.000 0.462 385 L N -0.835 120.252 121.223 -0.226 0.000 2.102 385 L HA -0.028 4.312 4.340 -0.000 0.000 0.202 385 L C 2.195 178.828 176.870 -0.395 0.000 1.076 385 L CA 1.591 56.105 54.840 -0.545 0.000 0.761 385 L CB -0.498 40.953 42.059 -1.014 0.000 0.921 385 L HN -0.039 nan 8.230 nan 0.000 0.444 386 F N 0.403 120.166 119.950 -0.312 0.000 2.387 386 F HA 0.318 4.845 4.527 -0.000 0.000 0.294 386 F C 2.270 178.007 175.800 -0.105 0.000 1.093 386 F CA 0.348 58.176 58.000 -0.287 0.000 1.420 386 F CB -1.264 37.297 39.000 -0.732 0.000 1.086 386 F HN 0.164 nan 8.300 nan 0.000 0.531 387 G N 0.068 108.938 108.800 0.118 0.000 3.337 387 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.226 387 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.226 387 G C 0.677 175.637 174.900 0.100 0.000 1.295 387 G CA 0.102 45.281 45.100 0.131 0.000 1.427 387 G HN 0.358 nan 8.290 nan 0.000 0.535 388 N N 0.393 119.153 118.700 0.100 0.000 2.451 388 N HA 0.035 4.775 4.740 -0.000 0.000 0.271 388 N C -0.291 175.261 175.510 0.070 0.000 1.410 388 N CA -0.349 52.745 53.050 0.073 0.000 0.884 388 N CB 0.493 39.015 38.487 0.058 0.000 1.332 388 N HN 0.106 nan 8.380 nan 0.000 0.498 389 D N 0.794 121.240 120.400 0.077 0.000 2.764 389 D HA -0.202 4.438 4.640 -0.000 0.000 0.223 389 D C 0.949 177.328 176.300 0.131 0.000 1.207 389 D CA 1.110 55.152 54.000 0.069 0.000 0.614 389 D CB -0.561 40.316 40.800 0.128 0.000 1.007 389 D HN 0.351 nan 8.370 nan 0.000 0.407 390 T N -1.826 112.739 114.554 0.018 0.000 2.999 390 T HA 0.207 4.557 4.350 -0.000 0.000 0.247 390 T C 0.505 175.047 174.700 -0.264 0.000 1.012 390 T CA -0.157 61.894 62.100 -0.081 0.000 1.048 390 T CB 0.008 68.753 68.868 -0.204 0.000 1.020 390 T HN 0.103 nan 8.240 nan 0.000 0.478 391 F N 2.828 122.745 119.950 -0.054 0.000 2.404 391 F HA 0.572 5.099 4.527 -0.000 0.000 0.339 391 F C 0.597 176.087 175.800 -0.517 0.000 1.105 391 F CA -0.703 57.252 58.000 -0.074 0.000 1.087 391 F CB 0.916 39.951 39.000 0.059 0.000 1.143 391 F HN 0.183 nan 8.300 nan 0.000 0.491 392 H N 3.741 122.908 119.070 0.162 0.000 2.947 392 H HA 0.493 5.049 4.556 -0.000 0.000 0.354 392 H C -1.505 173.899 175.328 0.128 0.000 1.085 392 H CA -0.881 55.227 56.048 0.100 0.000 1.253 392 H CB 2.051 31.860 29.762 0.078 0.000 1.757 392 H HN 0.398 nan 8.280 nan 0.000 0.523 393 L N 2.376 123.719 121.223 0.198 0.000 2.365 393 L HA 0.220 4.560 4.340 -0.000 0.000 0.273 393 L C -0.373 176.628 176.870 0.217 0.000 1.000 393 L CA -0.981 53.975 54.840 0.194 0.000 0.819 393 L CB 1.085 43.222 42.059 0.130 0.000 1.284 393 L HN 0.479 nan 8.230 nan 0.000 0.418 394 Y N 2.367 122.729 120.300 0.103 0.000 2.465 394 Y HA 0.329 4.879 4.550 -0.000 0.000 0.331 394 Y C -0.226 175.713 175.900 0.065 0.000 1.102 394 Y CA -0.633 57.515 58.100 0.080 0.000 1.358 394 Y CB 0.490 38.993 38.460 0.071 0.000 1.213 394 Y HN 0.730 nan 8.280 nan 0.000 0.525 395 D N 3.983 124.369 120.400 -0.023 0.000 2.278 395 D HA 0.332 4.972 4.640 -0.000 0.000 0.245 395 D C -0.493 175.782 176.300 -0.042 0.000 1.052 395 D CA -0.445 53.597 54.000 0.070 0.000 0.834 395 D CB 2.015 42.829 40.800 0.023 0.000 1.194 395 D HN 0.511 nan 8.370 nan 0.000 0.481 396 S N 3.235 119.074 115.700 0.232 0.000 3.757 396 S HA 0.618 5.088 4.470 -0.000 0.000 0.190 396 S C -0.251 174.508 174.600 0.266 0.000 0.948 396 S CA -0.238 58.153 58.200 0.318 0.000 1.592 396 S CB -0.390 63.113 63.200 0.505 0.000 0.656 396 S HN 0.583 nan 8.310 nan 0.000 0.640 402 T N -0.527 114.028 114.554 0.002 0.000 2.770 402 T HA -0.082 4.268 4.350 -0.000 0.000 0.258 402 T C 1.006 175.699 174.700 -0.011 0.000 1.039 402 T CA 2.150 64.245 62.100 -0.008 0.000 1.143 402 T CB -0.381 68.483 68.868 -0.006 0.000 0.866 402 T HN 0.416 nan 8.240 nan 0.000 0.428 403 D N 0.875 121.271 120.400 -0.007 0.000 2.104 403 D HA -0.115 4.525 4.640 -0.000 0.000 0.194 403 D C 2.325 178.619 176.300 -0.010 0.000 0.994 403 D CA 1.065 55.058 54.000 -0.011 0.000 0.830 403 D CB -0.447 40.350 40.800 -0.006 0.000 0.959 403 D HN 0.450 nan 8.370 nan 0.000 0.452 404 R N 0.608 121.111 120.500 0.006 0.000 2.103 404 R HA -0.181 4.158 4.340 -0.000 0.000 0.242 404 R C 2.387 178.718 176.300 0.052 0.000 1.142 404 R CA 1.126 57.239 56.100 0.022 0.000 0.960 404 R CB -0.563 29.757 30.300 0.032 0.000 0.858 404 R HN 0.188 nan 8.270 nan 0.000 0.439 405 L N 0.792 122.046 121.223 0.053 0.000 1.988 405 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 405 L C 2.268 179.137 176.870 -0.002 0.000 1.071 405 L CA 1.460 56.341 54.840 0.068 0.000 0.744 405 L CB -0.724 41.310 42.059 -0.041 0.000 0.893 405 L HN 0.216 nan 8.230 nan 0.000 0.433 406 L N 0.166 121.346 121.223 -0.071 0.000 2.064 406 L HA -0.286 4.054 4.340 -0.000 0.000 0.216 406 L C 2.706 179.444 176.870 -0.220 0.000 1.077 406 L CA 2.255 56.990 54.840 -0.176 0.000 0.766 406 L CB -1.857 40.120 42.059 -0.137 0.000 0.890 406 L HN 0.525 nan 8.230 nan 0.000 0.435 407 A N -0.848 121.912 122.820 -0.101 0.000 1.877 407 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 407 A C 2.223 179.793 177.584 -0.024 0.000 1.186 407 A CA 1.535 53.533 52.037 -0.066 0.000 0.620 407 A CB -0.317 18.666 19.000 -0.027 0.000 0.822 407 A HN 0.307 nan 8.150 nan 0.000 0.443 408 K N -0.197 120.221 120.400 0.030 0.000 2.009 408 K HA -0.105 4.215 4.320 -0.000 0.000 0.210 408 K C 1.883 178.559 176.600 0.128 0.000 1.049 408 K CA 1.329 57.681 56.287 0.107 0.000 0.929 408 K CB -1.069 31.570 32.500 0.230 0.000 0.714 408 K HN 0.459 nan 8.250 nan 0.000 0.440 409 L N 0.991 122.233 121.223 0.032 0.000 2.081 409 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 409 L C 2.509 179.316 176.870 -0.104 0.000 1.080 409 L CA 1.713 56.531 54.840 -0.036 0.000 0.754 409 L CB -0.569 41.363 42.059 -0.211 0.000 0.893 409 L HN 0.189 nan 8.230 nan 0.000 0.433 410 A N -1.032 121.589 122.820 -0.332 0.000 1.877 410 A HA -0.298 4.022 4.320 -0.000 0.000 0.216 410 A C 2.226 179.888 177.584 0.130 0.000 1.186 410 A CA 1.729 53.666 52.037 -0.165 0.000 0.620 410 A CB -1.067 17.819 19.000 -0.191 0.000 0.822 410 A HN 0.531 nan 8.150 nan 0.000 0.443 411 Y N 0.481 120.782 120.300 0.002 0.000 2.333 411 Y HA -0.209 4.341 4.550 -0.000 0.000 0.290 411 Y C 2.170 178.089 175.900 0.032 0.000 1.144 411 Y CA 1.811 59.923 58.100 0.020 0.000 1.228 411 Y CB -0.338 38.121 38.460 -0.001 0.000 0.985 411 Y HN 0.288 nan 8.280 nan 0.000 0.542 412 M N -0.341 119.307 119.600 0.080 0.000 2.065 412 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 412 M C 2.340 178.581 176.300 -0.097 0.000 1.071 412 M CA 2.028 57.318 55.300 -0.017 0.000 1.109 412 M CB -0.547 32.133 32.600 0.132 0.000 1.313 412 M HN 0.139 nan 8.290 nan 0.000 0.408 413 R N 0.603 121.151 120.500 0.079 0.000 2.083 413 R HA -0.075 4.265 4.340 -0.000 0.000 0.237 413 R C 2.023 178.293 176.300 -0.050 0.000 1.137 413 R CA 2.440 58.579 56.100 0.065 0.000 0.951 413 R CB -0.973 29.483 30.300 0.261 0.000 0.851 413 R HN 0.242 nan 8.270 nan 0.000 0.434 414 S N -1.198 114.469 115.700 -0.055 0.000 2.421 414 S HA 0.195 4.665 4.470 -0.000 0.000 0.224 414 S C 1.500 175.981 174.600 -0.198 0.000 1.035 414 S CA 0.657 58.811 58.200 -0.076 0.000 0.953 414 S CB 0.060 63.267 63.200 0.011 0.000 0.810 414 S HN 0.635 nan 8.310 nan 0.000 0.497 415 G N 1.856 110.384 108.800 -0.453 0.000 2.572 415 G HA2 0.028 3.988 3.960 -0.000 0.000 0.214 415 G HA3 0.028 3.988 3.960 -0.000 0.000 0.214 415 G C 0.998 175.588 174.900 -0.518 0.000 1.246 415 G CA 0.334 45.040 45.100 -0.657 0.000 0.835 415 G HN 0.423 nan 8.290 nan 0.000 0.551 416 L N 1.298 122.137 121.223 -0.640 0.000 2.552 416 L HA 0.368 4.708 4.340 -0.000 0.000 0.227 416 L C 1.725 178.407 176.870 -0.314 0.000 1.146 416 L CA 0.510 55.101 54.840 -0.415 0.000 0.858 416 L CB -0.906 40.861 42.059 -0.488 0.000 0.969 416 L HN 0.307 nan 8.230 nan 0.000 0.451 417 G N 0.415 109.058 108.800 -0.261 0.000 2.372 417 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.297 417 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.297 417 G C 0.227 175.031 174.900 -0.161 0.000 1.005 417 G CA 0.177 45.171 45.100 -0.177 0.000 1.173 417 G HN 0.505 nan 8.290 nan 0.000 0.511 418 C N -0.554 118.654 119.300 -0.153 0.000 2.459 418 C HA 0.703 5.163 4.460 -0.000 0.000 0.374 418 C C 1.172 176.100 174.990 -0.103 0.000 1.241 418 C CA -0.159 58.791 59.018 -0.113 0.000 2.352 418 C CB 1.519 29.221 27.740 -0.065 0.000 2.490 418 C HN 0.579 nan 8.230 nan 0.000 0.583 419 D N -0.268 120.062 120.400 -0.117 0.000 2.423 419 D HA 0.178 4.818 4.640 -0.000 0.000 0.208 419 D C 0.148 176.348 176.300 -0.166 0.000 1.068 419 D CA 0.116 54.022 54.000 -0.157 0.000 0.860 419 D CB -0.099 40.588 40.800 -0.188 0.000 0.992 419 D HN 0.370 nan 8.370 nan 0.000 0.504 420 V N 1.453 121.303 119.914 -0.107 0.000 2.628 420 V HA 0.388 4.508 4.120 -0.000 0.000 0.306 420 V C -0.617 175.515 176.094 0.062 0.000 1.045 420 V CA -0.843 61.432 62.300 -0.041 0.000 0.905 420 V CB 2.526 34.353 31.823 0.008 0.000 0.997 420 V HN 0.058 nan 8.190 nan 0.000 0.436 421 I N 4.877 125.507 120.570 0.101 0.000 2.447 421 I HA 0.468 4.638 4.170 -0.000 0.000 0.287 421 I C -0.432 175.793 176.117 0.179 0.000 1.023 421 I CA -0.278 61.119 61.300 0.162 0.000 1.083 421 I CB 1.876 40.006 38.000 0.217 0.000 1.245 421 I HN 0.455 nan 8.210 nan 0.000 0.434 422 I N 6.677 127.359 120.570 0.187 0.000 2.321 422 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 422 I C -0.453 175.743 176.117 0.131 0.000 0.998 422 I CA -0.764 60.641 61.300 0.175 0.000 1.227 422 I CB 1.816 39.922 38.000 0.177 0.000 1.368 422 I HN 0.276 nan 8.210 nan 0.000 0.466 423 L N 7.271 128.562 121.223 0.113 0.000 2.297 423 L HA 0.353 4.693 4.340 -0.000 0.000 0.277 423 L C -0.231 176.675 176.870 0.061 0.000 1.040 423 L CA -0.060 54.820 54.840 0.067 0.000 0.867 423 L CB 0.645 42.740 42.059 0.059 0.000 1.244 423 L HN 0.424 nan 8.230 nan 0.000 0.433 424 D N 4.705 125.137 120.400 0.053 0.000 2.422 424 D HA 0.172 4.812 4.640 -0.000 0.000 0.227 424 D C -0.625 175.730 176.300 0.091 0.000 1.190 424 D CA 0.263 54.307 54.000 0.073 0.000 0.905 424 D CB -0.061 40.785 40.800 0.077 0.000 1.034 424 D HN 0.625 nan 8.370 nan 0.000 0.507 425 H N 4.401 123.410 119.070 -0.101 0.000 3.610 425 H HA -0.148 4.408 4.556 -0.000 0.000 0.385 425 H C 0.564 175.793 175.328 -0.164 0.000 1.337 425 H CA -0.374 55.553 56.048 -0.202 0.000 1.458 425 H CB -1.385 28.193 29.762 -0.307 0.000 1.414 425 H HN 0.452 nan 8.280 nan 0.000 0.466 426 I N 1.691 122.349 120.570 0.146 0.000 2.300 426 I HA -0.289 3.881 4.170 -0.000 0.000 0.252 426 I C 1.762 177.907 176.117 0.046 0.000 1.119 426 I CA 2.082 63.419 61.300 0.062 0.000 1.384 426 I CB -0.577 37.453 38.000 0.050 0.000 1.062 426 I HN 0.572 nan 8.210 nan 0.000 0.426 427 S N 1.138 116.924 115.700 0.144 0.000 2.389 427 S HA -0.197 4.273 4.470 -0.000 0.000 0.231 427 S C 1.027 175.581 174.600 -0.078 0.000 1.052 427 S CA 0.907 59.147 58.200 0.067 0.000 1.053 427 S CB -0.677 62.698 63.200 0.292 0.000 0.886 427 S HN 0.398 nan 8.310 nan 0.000 0.456 428 I N 3.219 123.661 120.570 -0.213 0.000 2.471 428 I HA 0.014 4.184 4.170 -0.000 0.000 0.294 428 I C 1.267 177.325 176.117 -0.098 0.000 1.123 428 I CA -0.294 60.901 61.300 -0.175 0.000 1.336 428 I CB 0.006 37.867 38.000 -0.232 0.000 1.430 428 I HN 0.016 nan 8.210 nan 0.000 0.533 429 V N 4.808 124.685 119.914 -0.061 0.000 2.265 429 V HA 0.075 4.195 4.120 -0.000 0.000 0.224 429 V C 0.952 177.022 176.094 -0.039 0.000 1.023 429 V CA 0.037 62.314 62.300 -0.038 0.000 1.011 429 V CB -0.696 31.114 31.823 -0.021 0.000 0.651 429 V HN 0.494 nan 8.190 nan 0.000 0.466 430 V N 0.346 120.246 119.914 -0.023 0.000 3.411 430 V HA 0.007 4.127 4.120 -0.000 0.000 0.484 430 V C -0.030 176.073 176.094 0.016 0.000 0.682 430 V CA 0.867 63.164 62.300 -0.005 0.000 2.023 430 V CB -1.528 30.290 31.823 -0.008 0.000 2.468 430 V HN 1.697 nan 8.190 nan 0.000 0.502 431 S N 2.502 118.214 115.700 0.020 0.000 2.972 431 S HA 0.401 4.870 4.470 -0.000 0.000 0.824 431 S C 0.027 174.637 174.600 0.017 0.000 0.724 431 S CA 0.242 58.457 58.200 0.025 0.000 1.535 431 S CB -0.768 62.457 63.200 0.043 0.000 1.078 431 S HN 2.707 nan 8.310 nan 0.000 0.653 432 A N 3.051 125.879 122.820 0.013 0.000 1.953 432 A HA 0.397 4.717 4.320 -0.000 0.000 0.232 432 A C -0.098 177.491 177.584 0.008 0.000 2.799 432 A CA 0.126 52.169 52.037 0.009 0.000 2.066 432 A CB -0.648 18.356 19.000 0.007 0.000 0.321 432 A HN 1.289 nan 8.150 nan 0.000 0.918 433 S N 0.771 116.477 115.700 0.009 0.000 2.437 433 S HA 0.491 4.961 4.470 -0.000 0.000 0.304 433 S C 1.065 175.669 174.600 0.006 0.000 1.167 433 S CA 0.565 58.769 58.200 0.008 0.000 1.106 433 S CB 0.591 63.796 63.200 0.009 0.000 1.099 433 S HN 1.679 nan 8.310 nan 0.000 0.524 434 G N 2.338 111.141 108.800 0.005 0.000 4.417 434 G HA2 0.245 4.205 3.960 -0.000 0.000 0.221 434 G HA3 0.245 4.205 3.960 -0.000 0.000 0.221 434 G C -0.627 174.276 174.900 0.004 0.000 1.003 434 G CA -0.703 44.400 45.100 0.005 0.000 0.832 434 G HN 0.581 nan 8.290 nan 0.000 0.356 435 E N 0.640 120.842 120.200 0.004 0.000 2.238 435 E HA 0.778 5.128 4.350 -0.000 0.000 0.267 435 E C 0.171 176.774 176.600 0.004 0.000 0.887 435 E CA -0.721 55.682 56.400 0.004 0.000 0.769 435 E CB 1.679 31.382 29.700 0.004 0.000 1.187 435 E HN -0.062 nan 8.360 nan 0.000 0.416 436 S N 1.123 116.826 115.700 0.004 0.000 2.502 436 S HA 0.039 4.509 4.470 -0.000 0.000 0.251 436 S C 0.050 174.653 174.600 0.005 0.000 1.254 436 S CA -0.593 57.609 58.200 0.005 0.000 0.989 436 S CB -0.041 63.162 63.200 0.005 0.000 1.015 436 S HN 0.693 nan 8.310 nan 0.000 0.529 437 D N 1.743 122.146 120.400 0.006 0.000 3.139 437 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 437 D C 1.040 177.344 176.300 0.007 0.000 1.084 437 D CA 0.525 54.529 54.000 0.007 0.000 0.777 437 D CB 0.311 41.116 40.800 0.008 0.000 1.156 437 D HN 0.421 nan 8.370 nan 0.000 0.537 438 E N 3.275 123.479 120.200 0.006 0.000 2.267 438 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 438 E C 1.864 178.471 176.600 0.010 0.000 0.998 438 E CA 0.498 56.902 56.400 0.007 0.000 0.830 438 E CB 0.181 29.884 29.700 0.006 0.000 0.751 438 E HN 0.455 nan 8.360 nan 0.000 0.491 439 R N 0.894 121.400 120.500 0.011 0.000 2.115 439 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 439 R C 2.494 178.801 176.300 0.012 0.000 1.133 439 R CA 1.841 57.948 56.100 0.012 0.000 0.935 439 R CB -0.155 30.152 30.300 0.011 0.000 0.853 439 R HN -0.035 nan 8.270 nan 0.000 0.433 440 K N 0.377 120.783 120.400 0.011 0.000 1.984 440 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 440 K C 2.022 178.629 176.600 0.011 0.000 1.046 440 K CA 1.326 57.620 56.287 0.011 0.000 0.934 440 K CB -0.291 32.215 32.500 0.010 0.000 0.717 440 K HN 0.129 nan 8.250 nan 0.000 0.438 441 M N 1.882 121.487 119.600 0.010 0.000 2.108 441 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 441 M C 2.182 178.489 176.300 0.011 0.000 1.066 441 M CA 1.051 56.357 55.300 0.009 0.000 1.107 441 M CB -0.747 31.857 32.600 0.006 0.000 1.356 441 M HN 0.272 nan 8.290 nan 0.000 0.406 442 I N 0.554 121.131 120.570 0.012 0.000 2.185 442 I HA -0.376 3.794 4.170 -0.000 0.000 0.246 442 I C 1.319 177.447 176.117 0.019 0.000 1.088 442 I CA 2.178 63.487 61.300 0.015 0.000 1.347 442 I CB -0.600 37.410 38.000 0.018 0.000 1.041 442 I HN 0.244 nan 8.210 nan 0.000 0.415 443 D N 0.794 121.205 120.400 0.018 0.000 2.084 443 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 443 D C 2.036 178.349 176.300 0.022 0.000 0.985 443 D CA 1.190 55.203 54.000 0.021 0.000 0.826 443 D CB -0.595 40.216 40.800 0.018 0.000 0.978 443 D HN 0.376 nan 8.370 nan 0.000 0.456 444 N N 0.677 119.388 118.700 0.018 0.000 2.037 444 N HA -0.181 4.559 4.740 -0.000 0.000 0.196 444 N C 1.909 177.431 175.510 0.020 0.000 1.034 444 N CA 1.069 54.130 53.050 0.018 0.000 0.861 444 N CB -0.406 38.089 38.487 0.014 0.000 1.039 444 N HN 0.182 nan 8.380 nan 0.000 0.427 445 L N 0.802 122.036 121.223 0.018 0.000 1.989 445 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 445 L C 2.388 179.277 176.870 0.032 0.000 1.071 445 L CA 1.723 56.575 54.840 0.019 0.000 0.749 445 L CB -1.239 40.827 42.059 0.011 0.000 0.890 445 L HN 0.125 nan 8.230 nan 0.000 0.431 446 M N 0.195 119.815 119.600 0.033 0.000 2.190 446 M HA -0.294 4.186 4.480 -0.000 0.000 0.252 446 M C 2.417 178.747 176.300 0.050 0.000 1.076 446 M CA 2.781 58.106 55.300 0.042 0.000 1.079 446 M CB -1.569 31.052 32.600 0.036 0.000 1.303 446 M HN 0.736 nan 8.290 nan 0.000 0.412 447 T N -2.135 112.445 114.554 0.043 0.000 2.701 447 T HA -0.155 4.195 4.350 -0.000 0.000 0.263 447 T C 1.818 176.555 174.700 0.061 0.000 1.040 447 T CA 1.562 63.690 62.100 0.047 0.000 1.147 447 T CB -0.517 68.374 68.868 0.037 0.000 0.865 447 T HN 0.443 nan 8.240 nan 0.000 0.426 448 K N 1.249 121.682 120.400 0.055 0.000 2.127 448 K HA -0.072 4.247 4.320 -0.000 0.000 0.208 448 K C 2.386 179.054 176.600 0.113 0.000 1.047 448 K CA 1.382 57.708 56.287 0.065 0.000 0.927 448 K CB -0.709 31.812 32.500 0.036 0.000 0.716 448 K HN 0.395 nan 8.250 nan 0.000 0.450 449 L N 0.984 122.274 121.223 0.112 0.000 1.961 449 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 449 L C 2.602 179.577 176.870 0.176 0.000 1.072 449 L CA 1.363 56.307 54.840 0.173 0.000 0.749 449 L CB -0.593 41.541 42.059 0.125 0.000 0.889 449 L HN 0.114 nan 8.230 nan 0.000 0.432 450 K N 0.639 121.103 120.400 0.107 0.000 2.160 450 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 450 K C 1.757 178.399 176.600 0.069 0.000 1.047 450 K CA 1.526 57.856 56.287 0.073 0.000 0.930 450 K CB -0.888 31.644 32.500 0.054 0.000 0.720 450 K HN 0.353 nan 8.250 nan 0.000 0.450 451 G N 0.071 108.929 108.800 0.097 0.000 2.524 451 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.215 451 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.215 451 G C 1.366 176.347 174.900 0.136 0.000 1.239 451 G CA 0.685 45.844 45.100 0.098 0.000 0.798 451 G HN 0.345 nan 8.290 nan 0.000 0.557 452 F N 2.805 122.764 119.950 0.016 0.000 2.063 452 F HA -0.305 4.222 4.527 -0.000 0.000 0.296 452 F C 2.720 178.525 175.800 0.008 0.000 1.093 452 F CA 1.574 59.582 58.000 0.014 0.000 1.229 452 F CB -0.930 38.081 39.000 0.019 0.000 0.971 452 F HN 0.274 nan 8.300 nan 0.000 0.491 453 A N -0.093 122.626 122.820 -0.168 0.000 1.836 453 A HA -0.289 4.031 4.320 -0.000 0.000 0.215 453 A C 2.259 179.725 177.584 -0.196 0.000 1.214 453 A CA 2.363 54.242 52.037 -0.262 0.000 0.636 453 A CB -1.181 17.766 19.000 -0.088 0.000 0.847 453 A HN 0.379 nan 8.150 nan 0.000 0.451 454 K N 0.016 120.364 120.400 -0.086 0.000 2.063 454 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 454 K C 2.455 179.024 176.600 -0.052 0.000 1.048 454 K CA 1.735 57.989 56.287 -0.055 0.000 0.928 454 K CB -0.365 32.126 32.500 -0.016 0.000 0.713 454 K HN 0.627 nan 8.250 nan 0.000 0.442 455 S N -0.806 114.875 115.700 -0.032 0.000 2.419 455 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 455 S C 1.771 176.349 174.600 -0.038 0.000 1.019 455 S CA 1.910 60.105 58.200 -0.008 0.000 0.982 455 S CB -0.423 62.804 63.200 0.044 0.000 0.789 455 S HN 0.489 nan 8.310 nan 0.000 0.490 456 T N -4.645 109.840 114.554 -0.116 0.000 3.058 456 T HA 0.509 4.859 4.350 -0.000 0.000 0.278 456 T C 1.483 176.074 174.700 -0.182 0.000 0.974 456 T CA 0.833 62.848 62.100 -0.143 0.000 0.893 456 T CB 0.004 68.767 68.868 -0.174 0.000 1.138 456 T HN 1.232 nan 8.240 nan 0.000 0.529 457 G N 1.303 109.990 108.800 -0.187 0.000 2.196 457 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.268 457 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.268 457 G C 0.356 175.126 174.900 -0.215 0.000 0.975 457 G CA 0.313 45.312 45.100 -0.169 0.000 0.648 457 G HN 1.109 nan 8.290 nan 0.000 0.538 458 V N 0.497 120.235 119.914 -0.294 0.000 2.901 458 V HA 0.380 4.500 4.120 -0.000 0.000 0.307 458 V C 1.070 177.010 176.094 -0.258 0.000 1.084 458 V CA 0.203 62.323 62.300 -0.299 0.000 1.184 458 V CB 1.360 32.929 31.823 -0.423 0.000 0.941 458 V HN 0.537 nan 8.190 nan 0.000 0.493 459 V N 7.723 127.508 119.914 -0.215 0.000 2.432 459 V HA 0.265 4.385 4.120 -0.000 0.000 0.271 459 V C 0.086 176.131 176.094 -0.083 0.000 1.046 459 V CA -0.217 61.977 62.300 -0.178 0.000 0.945 459 V CB 1.001 32.663 31.823 -0.270 0.000 0.992 459 V HN 0.681 nan 8.190 nan 0.000 0.471 460 L N 7.247 128.451 121.223 -0.032 0.000 2.313 460 L HA 0.474 4.814 4.340 -0.000 0.000 0.273 460 L C -0.184 176.756 176.870 0.116 0.000 1.028 460 L CA 0.061 54.935 54.840 0.056 0.000 0.871 460 L CB 1.363 43.458 42.059 0.060 0.000 1.242 460 L HN 0.504 nan 8.230 nan 0.000 0.434 461 V N 4.593 124.612 119.914 0.176 0.000 2.583 461 V HA 0.407 4.527 4.120 -0.000 0.000 0.287 461 V C 0.070 176.263 176.094 0.166 0.000 1.051 461 V CA -0.556 61.876 62.300 0.220 0.000 1.010 461 V CB 1.273 33.278 31.823 0.303 0.000 0.988 461 V HN 0.390 nan 8.190 nan 0.000 0.478 462 V N 5.723 125.722 119.914 0.142 0.000 2.525 462 V HA 0.417 4.537 4.120 -0.000 0.000 0.299 462 V C -0.107 176.040 176.094 0.088 0.000 1.034 462 V CA -0.434 61.929 62.300 0.106 0.000 0.863 462 V CB 1.876 33.752 31.823 0.090 0.000 0.999 462 V HN 0.663 nan 8.190 nan 0.000 0.423 463 I N 3.692 124.305 120.570 0.072 0.000 2.662 463 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 463 I C 0.078 176.184 176.117 -0.018 0.000 1.046 463 I CA 0.200 61.522 61.300 0.038 0.000 1.361 463 I CB 1.508 39.527 38.000 0.032 0.000 1.429 463 I HN 0.842 nan 8.210 nan 0.000 0.558 464 C N 6.161 125.434 119.300 -0.045 0.000 3.046 464 C HA 0.428 4.888 4.460 -0.000 0.000 0.388 464 C C -0.673 174.309 174.990 -0.014 0.000 1.041 464 C CA -0.567 58.403 59.018 -0.080 0.000 1.241 464 C CB 0.723 28.458 27.740 -0.007 0.000 1.638 464 C HN 0.903 nan 8.230 nan 0.000 0.539 465 H N 3.018 121.911 119.070 -0.295 0.000 2.496 465 H HA 0.555 5.111 4.556 -0.000 0.000 0.342 465 H C -0.312 174.922 175.328 -0.157 0.000 1.170 465 H CA -0.697 55.186 56.048 -0.274 0.000 1.274 465 H CB 1.309 30.859 29.762 -0.352 0.000 1.538 465 H HN 0.560 nan 8.280 nan 0.000 0.542 466 L N 2.640 123.807 121.223 -0.093 0.000 2.307 466 L HA 0.212 4.552 4.340 -0.000 0.000 0.282 466 L C 0.019 176.827 176.870 -0.103 0.000 1.051 466 L CA -0.990 53.783 54.840 -0.111 0.000 0.804 466 L CB 1.292 43.233 42.059 -0.197 0.000 1.197 466 L HN 0.581 nan 8.230 nan 0.000 0.431 467 K N 2.062 122.451 120.400 -0.018 0.000 2.344 467 K HA 0.086 4.406 4.320 -0.000 0.000 0.260 467 K C -0.358 176.264 176.600 0.037 0.000 0.988 467 K CA -0.072 56.219 56.287 0.008 0.000 0.909 467 K CB 0.291 32.808 32.500 0.028 0.000 0.968 467 K HN 0.422 nan 8.250 nan 0.000 0.505 468 N N 1.695 120.425 118.700 0.050 0.000 2.407 468 N HA 0.130 4.870 4.740 -0.000 0.000 0.277 468 N C -1.840 173.725 175.510 0.091 0.000 0.995 468 N CA -1.507 51.608 53.050 0.109 0.000 0.903 468 N CB 1.387 39.914 38.487 0.067 0.000 1.218 468 N HN 0.476 nan 8.380 nan 0.000 0.487 469 P HA -0.236 nan 4.420 nan 0.000 0.221 469 P C -0.035 177.278 177.300 0.021 0.000 1.107 469 P CA 1.643 64.766 63.100 0.037 0.000 0.986 469 P CB 0.267 31.962 31.700 -0.009 0.000 0.774 470 D N -5.161 115.249 120.400 0.016 0.000 2.603 470 D HA -0.133 4.507 4.640 -0.000 0.000 0.180 470 D C 0.075 176.374 176.300 -0.002 0.000 0.972 470 D CA 1.508 55.513 54.000 0.008 0.000 1.022 470 D CB -1.098 39.707 40.800 0.009 0.000 1.079 470 D HN 0.156 nan 8.370 nan 0.000 0.455 471 K N 0.465 120.859 120.400 -0.009 0.000 2.347 471 K HA 0.571 4.891 4.320 -0.000 0.000 0.262 471 K C 1.182 177.765 176.600 -0.028 0.000 1.052 471 K CA 0.386 56.662 56.287 -0.018 0.000 0.946 471 K CB 0.452 32.939 32.500 -0.023 0.000 1.220 471 K HN 0.168 nan 8.250 nan 0.000 0.450 472 G N 4.867 113.655 108.800 -0.021 0.000 3.523 472 G HA2 -0.436 3.523 3.960 -0.000 0.000 0.361 472 G HA3 -0.436 3.523 3.960 -0.000 0.000 0.361 472 G C -0.231 174.652 174.900 -0.029 0.000 1.349 472 G CA 1.360 46.446 45.100 -0.023 0.000 1.173 472 G HN 0.695 nan 8.290 nan 0.000 0.709 473 K N 1.365 121.738 120.400 -0.044 0.000 2.234 473 K HA 0.770 5.089 4.320 -0.000 0.000 0.282 473 K C 0.584 177.135 176.600 -0.081 0.000 1.039 473 K CA 0.060 56.314 56.287 -0.054 0.000 0.928 473 K CB 1.652 34.118 32.500 -0.058 0.000 1.039 473 K HN 0.855 nan 8.250 nan 0.000 0.470 474 A N 2.958 125.742 122.820 -0.060 0.000 2.645 474 A HA 0.147 4.467 4.320 -0.000 0.000 0.245 474 A C 0.569 178.077 177.584 -0.127 0.000 1.758 474 A CA 0.047 52.055 52.037 -0.047 0.000 0.850 474 A CB -0.397 18.611 19.000 0.014 0.000 1.656 474 A HN 0.983 nan 8.150 nan 0.000 0.641 475 H N -0.828 118.212 119.070 -0.049 0.000 2.486 475 H HA 0.050 4.606 4.556 -0.000 0.000 0.287 475 H C 1.666 176.953 175.328 -0.068 0.000 1.010 475 H CA 1.095 57.104 56.048 -0.064 0.000 1.324 475 H CB 0.325 30.041 29.762 -0.078 0.000 1.446 475 H HN 0.669 nan 8.280 nan 0.000 0.537 476 E N 0.642 120.872 120.200 0.050 0.000 2.481 476 E HA -0.110 4.239 4.350 -0.000 0.000 0.195 476 E C 0.829 177.419 176.600 -0.017 0.000 1.047 476 E CA 0.483 56.884 56.400 0.002 0.000 0.867 476 E CB 0.039 29.736 29.700 -0.005 0.000 0.858 476 E HN 0.510 nan 8.360 nan 0.000 0.513 477 E N 0.266 120.451 120.200 -0.027 0.000 2.403 477 E HA 0.144 4.494 4.350 -0.000 0.000 0.187 477 E C 0.806 177.373 176.600 -0.054 0.000 1.073 477 E CA 0.399 56.776 56.400 -0.038 0.000 0.888 477 E CB -0.345 29.330 29.700 -0.041 0.000 1.035 477 E HN 0.404 nan 8.360 nan 0.000 0.471 478 G N 1.882 110.646 108.800 -0.059 0.000 2.458 478 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.237 478 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.237 478 G C 0.515 175.351 174.900 -0.107 0.000 1.113 478 G CA 0.193 45.250 45.100 -0.072 0.000 0.655 478 G HN 0.433 nan 8.290 nan 0.000 0.513 479 R N 2.090 122.511 120.500 -0.132 0.000 3.568 479 R HA -0.053 4.287 4.340 -0.000 0.000 0.179 479 R C -2.047 174.149 176.300 -0.173 0.000 0.664 479 R CA 0.697 56.698 56.100 -0.165 0.000 0.918 479 R CB -0.298 29.862 30.300 -0.234 0.000 1.034 479 R HN 0.317 nan 8.270 nan 0.000 0.320 480 P HA -0.023 nan 4.420 nan 0.000 0.271 480 P C -0.688 176.551 177.300 -0.102 0.000 1.233 480 P CA -0.299 62.739 63.100 -0.104 0.000 0.789 480 P CB 0.660 32.313 31.700 -0.078 0.000 0.951 481 V N -0.619 119.250 119.914 -0.075 0.000 2.680 481 V HA 0.768 4.888 4.120 -0.000 0.000 0.309 481 V C -0.473 175.598 176.094 -0.038 0.000 1.052 481 V CA -0.429 61.843 62.300 -0.047 0.000 0.908 481 V CB 1.805 33.620 31.823 -0.014 0.000 1.001 481 V HN 0.702 nan 8.190 nan 0.000 0.431 482 S N 4.600 120.285 115.700 -0.025 0.000 2.739 482 S HA 0.655 5.125 4.470 -0.000 0.000 0.306 482 S C 0.578 175.173 174.600 -0.009 0.000 1.115 482 S CA -0.590 57.599 58.200 -0.019 0.000 0.985 482 S CB 1.448 64.638 63.200 -0.017 0.000 1.133 482 S HN 0.729 nan 8.310 nan 0.000 0.541 483 I N 1.173 121.739 120.570 -0.007 0.000 2.546 483 I HA -0.051 4.119 4.170 -0.000 0.000 0.255 483 I C 2.873 178.993 176.117 0.004 0.000 1.163 483 I CA 1.530 62.830 61.300 -0.000 0.000 1.457 483 I CB -1.557 36.444 38.000 0.002 0.000 1.092 483 I HN 0.982 nan 8.210 nan 0.000 0.434 484 T N -0.067 114.489 114.554 0.002 0.000 2.652 484 T HA -0.288 4.062 4.350 -0.000 0.000 0.267 484 T C 1.769 176.474 174.700 0.007 0.000 1.039 484 T CA 2.047 64.149 62.100 0.004 0.000 1.153 484 T CB -0.597 68.271 68.868 0.000 0.000 0.863 484 T HN 0.260 nan 8.240 nan 0.000 0.428 485 D N 0.575 120.979 120.400 0.005 0.000 2.362 485 D HA -0.014 4.626 4.640 -0.000 0.000 0.215 485 D C 0.711 177.027 176.300 0.027 0.000 0.978 485 D CA 0.209 54.218 54.000 0.016 0.000 0.921 485 D CB -0.497 40.309 40.800 0.009 0.000 0.895 485 D HN 0.382 nan 8.370 nan 0.000 0.494 486 L N 0.992 122.226 121.223 0.017 0.000 2.485 486 L HA 0.028 4.368 4.340 -0.000 0.000 0.275 486 L C 1.220 178.102 176.870 0.020 0.000 1.207 486 L CA 0.336 55.186 54.840 0.018 0.000 0.855 486 L CB 0.595 42.662 42.059 0.013 0.000 1.114 486 L HN 0.053 nan 8.230 nan 0.000 0.485 487 R N 1.504 122.017 120.500 0.020 0.000 2.828 487 R HA 0.311 4.651 4.340 -0.000 0.000 0.270 487 R C 0.549 176.861 176.300 0.021 0.000 1.244 487 R CA 0.617 56.730 56.100 0.022 0.000 1.143 487 R CB 0.115 30.429 30.300 0.024 0.000 1.128 487 R HN 0.941 nan 8.270 nan 0.000 0.587 488 G N -0.438 108.375 108.800 0.022 0.000 2.645 488 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.246 488 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.246 488 G C -0.101 174.810 174.900 0.018 0.000 1.322 488 G CA 0.045 45.157 45.100 0.020 0.000 0.898 488 G HN 0.498 nan 8.290 nan 0.000 0.573 489 S N -0.137 115.574 115.700 0.017 0.000 3.031 489 S HA 0.531 5.001 4.470 -0.000 0.000 0.253 489 S C 1.172 175.781 174.600 0.015 0.000 0.996 489 S CA 1.217 59.426 58.200 0.015 0.000 1.098 489 S CB 0.211 63.419 63.200 0.014 0.000 1.042 489 S HN 2.418 nan 8.310 nan 0.000 0.593 490 G N 0.899 109.709 108.800 0.017 0.000 3.006 490 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.195 490 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.195 490 G C 1.113 176.025 174.900 0.020 0.000 1.034 490 G CA 0.255 45.365 45.100 0.017 0.000 0.807 490 G HN 0.473 nan 8.290 nan 0.000 0.469 491 A N 0.907 123.740 122.820 0.021 0.000 1.865 491 A HA 0.228 4.548 4.320 -0.000 0.000 0.217 491 A C 2.405 180.006 177.584 0.028 0.000 1.191 491 A CA 2.588 54.639 52.037 0.025 0.000 0.623 491 A CB -0.521 18.495 19.000 0.026 0.000 0.826 491 A HN 0.979 nan 8.150 nan 0.000 0.444 492 L N 0.185 121.425 121.223 0.028 0.000 2.005 492 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 492 L C 2.349 179.236 176.870 0.028 0.000 1.072 492 L CA 1.872 56.730 54.840 0.031 0.000 0.744 492 L CB -1.277 40.800 42.059 0.030 0.000 0.895 492 L HN 0.333 nan 8.230 nan 0.000 0.433 493 R N 0.099 120.613 120.500 0.024 0.000 2.294 493 R HA -0.236 4.104 4.340 -0.000 0.000 0.250 493 R C 1.894 178.208 176.300 0.023 0.000 1.181 493 R CA 1.606 57.718 56.100 0.021 0.000 1.016 493 R CB -0.580 29.730 30.300 0.017 0.000 0.869 493 R HN 0.627 nan 8.270 nan 0.000 0.476 494 Q N -0.183 119.632 119.800 0.025 0.000 2.596 494 Q HA 0.086 4.426 4.340 -0.000 0.000 0.190 494 Q C 1.672 177.691 176.000 0.032 0.000 0.905 494 Q CA -0.373 55.446 55.803 0.027 0.000 0.846 494 Q CB 0.237 28.990 28.738 0.024 0.000 1.117 494 Q HN 0.024 nan 8.270 nan 0.000 0.630 495 L N 1.438 122.681 121.223 0.033 0.000 2.197 495 L HA -0.114 4.226 4.340 -0.000 0.000 0.215 495 L C 0.689 177.585 176.870 0.043 0.000 1.095 495 L CA 1.257 56.119 54.840 0.038 0.000 0.764 495 L CB -0.839 41.244 42.059 0.040 0.000 0.897 495 L HN 0.044 nan 8.230 nan 0.000 0.436 496 S N 0.071 115.798 115.700 0.045 0.000 2.549 496 S HA 0.058 4.528 4.470 -0.000 0.000 0.279 496 S C 0.828 175.462 174.600 0.056 0.000 1.321 496 S CA -0.650 57.581 58.200 0.052 0.000 1.054 496 S CB 1.079 64.310 63.200 0.051 0.000 0.899 496 S HN 0.204 nan 8.310 nan 0.000 0.497 497 D N 1.800 122.239 120.400 0.065 0.000 2.144 497 D HA 0.039 4.679 4.640 -0.000 0.000 0.207 497 D C 0.375 176.729 176.300 0.090 0.000 0.970 497 D CA 1.130 55.175 54.000 0.075 0.000 0.853 497 D CB -0.129 40.714 40.800 0.071 0.000 1.007 497 D HN 0.456 nan 8.370 nan 0.000 0.469 498 T N 1.327 115.943 114.554 0.103 0.000 2.823 498 T HA 0.450 4.800 4.350 -0.000 0.000 0.279 498 T C -0.225 174.516 174.700 0.069 0.000 0.998 498 T CA -0.532 61.630 62.100 0.102 0.000 0.994 498 T CB 1.909 70.869 68.868 0.154 0.000 0.960 498 T HN -0.192 nan 8.240 nan 0.000 0.448 499 I N 3.861 124.450 120.570 0.033 0.000 2.359 499 I HA 0.407 4.577 4.170 -0.000 0.000 0.284 499 I C -0.230 175.859 176.117 -0.047 0.000 1.018 499 I CA -1.570 59.731 61.300 0.002 0.000 1.173 499 I CB 0.501 38.501 38.000 0.001 0.000 1.326 499 I HN 0.588 nan 8.210 nan 0.000 0.462 500 I N 5.658 126.176 120.570 -0.087 0.000 2.321 500 I HA 0.626 4.796 4.170 -0.000 0.000 0.291 500 I C 0.377 176.381 176.117 -0.188 0.000 0.998 500 I CA -0.390 60.803 61.300 -0.179 0.000 1.227 500 I CB 1.404 39.227 38.000 -0.296 0.000 1.368 500 I HN 0.597 nan 8.210 nan 0.000 0.466 501 A N 7.311 130.016 122.820 -0.192 0.000 2.340 501 A HA 0.946 5.266 4.320 -0.000 0.000 0.331 501 A C -1.045 176.392 177.584 -0.246 0.000 1.140 501 A CA -0.520 51.408 52.037 -0.182 0.000 0.801 501 A CB 1.071 19.998 19.000 -0.122 0.000 1.234 501 A HN 0.571 nan 8.150 nan 0.000 0.469 502 L N 1.330 122.409 121.223 -0.239 0.000 2.381 502 L HA 0.540 4.880 4.340 -0.000 0.000 0.274 502 L C -0.197 176.564 176.870 -0.182 0.000 0.988 502 L CA -0.227 54.458 54.840 -0.259 0.000 0.824 502 L CB 1.670 43.537 42.059 -0.321 0.000 1.263 502 L HN 0.739 nan 8.230 nan 0.000 0.410 503 E N 2.980 123.072 120.200 -0.180 0.000 2.207 503 E HA 0.739 5.089 4.350 -0.000 0.000 0.270 503 E C -0.866 175.658 176.600 -0.127 0.000 0.927 503 E CA -1.054 55.267 56.400 -0.132 0.000 0.799 503 E CB 2.971 32.589 29.700 -0.136 0.000 1.172 503 E HN 0.475 nan 8.360 nan 0.000 0.404 504 R N 2.501 122.947 120.500 -0.090 0.000 2.549 504 R HA 0.089 4.429 4.340 -0.000 0.000 0.291 504 R C -1.372 174.895 176.300 -0.055 0.000 1.164 504 R CA -0.270 55.783 56.100 -0.077 0.000 0.973 504 R CB 0.949 31.199 30.300 -0.084 0.000 1.210 504 R HN 0.723 nan 8.270 nan 0.000 0.422 505 N N 4.610 123.281 118.700 -0.048 0.000 2.968 505 N HA 0.004 4.744 4.740 -0.000 0.000 0.271 505 N C -0.091 175.404 175.510 -0.024 0.000 1.174 505 N CA -0.175 52.854 53.050 -0.035 0.000 1.096 505 N CB 0.816 39.284 38.487 -0.033 0.000 1.403 505 N HN 0.672 nan 8.380 nan 0.000 0.522 506 Q N 0.983 120.768 119.800 -0.025 0.000 2.541 506 Q HA -0.154 4.186 4.340 -0.000 0.000 0.215 506 Q C -0.185 175.810 176.000 -0.009 0.000 0.977 506 Q CA 0.729 56.520 55.803 -0.020 0.000 0.934 506 Q CB -0.145 28.574 28.738 -0.032 0.000 0.988 506 Q HN 0.660 nan 8.270 nan 0.000 0.521 507 Q N -0.283 119.512 119.800 -0.009 0.000 2.700 507 Q HA 0.642 4.981 4.340 -0.000 0.000 0.249 507 Q C -0.183 175.816 176.000 -0.001 0.000 1.033 507 Q CA -0.396 55.405 55.803 -0.003 0.000 0.804 507 Q CB 1.370 30.105 28.738 -0.004 0.000 1.164 507 Q HN 0.118 nan 8.270 nan 0.000 0.500 508 G N 0.551 109.353 108.800 0.003 0.000 2.635 508 G HA2 0.102 4.062 3.960 -0.000 0.000 0.194 508 G HA3 0.102 4.062 3.960 -0.000 0.000 0.194 508 G C -0.619 174.289 174.900 0.013 0.000 1.198 508 G CA -0.343 44.760 45.100 0.006 0.000 0.972 508 G HN 0.207 nan 8.290 nan 0.000 0.520 509 D N 0.055 120.465 120.400 0.016 0.000 2.110 509 D HA 0.066 4.706 4.640 -0.000 0.000 0.202 509 D C 0.830 177.147 176.300 0.029 0.000 0.975 509 D CA 1.287 55.303 54.000 0.026 0.000 0.839 509 D CB 0.006 40.828 40.800 0.035 0.000 0.996 509 D HN 0.112 nan 8.370 nan 0.000 0.464 510 M N 0.370 119.982 119.600 0.020 0.000 2.065 510 M HA 0.268 4.748 4.480 -0.000 0.000 0.308 510 M C -2.171 174.140 176.300 0.018 0.000 0.939 510 M CA -1.586 53.728 55.300 0.023 0.000 0.890 510 M CB 2.256 34.863 32.600 0.011 0.000 1.383 510 M HN -0.267 nan 8.290 nan 0.000 0.381 511 P HA -0.014 nan 4.420 nan 0.000 0.228 511 P C 0.459 177.779 177.300 0.033 0.000 1.151 511 P CA 1.051 64.163 63.100 0.020 0.000 0.770 511 P CB 0.274 31.988 31.700 0.024 0.000 0.786 512 N N -1.267 117.468 118.700 0.058 0.000 2.236 512 N HA 0.072 4.812 4.740 -0.000 0.000 0.196 512 N C 0.145 175.708 175.510 0.088 0.000 1.114 512 N CA -0.108 53.003 53.050 0.101 0.000 0.859 512 N CB 0.068 38.641 38.487 0.143 0.000 0.982 512 N HN 0.150 nan 8.380 nan 0.000 0.493 513 L N 1.564 122.815 121.223 0.047 0.000 2.319 513 L HA 0.331 4.671 4.340 -0.000 0.000 0.280 513 L C -0.323 176.551 176.870 0.006 0.000 1.099 513 L CA -0.418 54.444 54.840 0.037 0.000 0.828 513 L CB 1.106 43.164 42.059 -0.001 0.000 1.150 513 L HN -0.170 nan 8.230 nan 0.000 0.442 514 V N 6.896 126.811 119.914 0.003 0.000 2.588 514 V HA 0.540 4.660 4.120 -0.000 0.000 0.304 514 V C -0.972 174.996 176.094 -0.209 0.000 1.042 514 V CA -0.763 61.487 62.300 -0.084 0.000 0.877 514 V CB 1.839 33.621 31.823 -0.068 0.000 0.996 514 V HN 0.846 nan 8.190 nan 0.000 0.425 515 L N 6.560 127.581 121.223 -0.336 0.000 2.343 515 L HA 0.792 5.132 4.340 -0.000 0.000 0.275 515 L C -0.784 175.835 176.870 -0.418 0.000 1.056 515 L CA -0.338 54.143 54.840 -0.598 0.000 0.804 515 L CB 1.887 43.612 42.059 -0.558 0.000 1.203 515 L HN 0.661 nan 8.230 nan 0.000 0.440 516 V N 3.699 123.357 119.914 -0.427 0.000 2.376 516 V HA 0.513 4.633 4.120 -0.000 0.000 0.287 516 V C -0.101 175.849 176.094 -0.239 0.000 1.015 516 V CA -0.676 61.438 62.300 -0.311 0.000 0.834 516 V CB 1.015 32.672 31.823 -0.276 0.000 1.001 516 V HN 0.704 nan 8.190 nan 0.000 0.428 517 R N 3.918 124.295 120.500 -0.205 0.000 2.297 517 R HA 0.539 4.879 4.340 -0.000 0.000 0.308 517 R C -0.591 175.633 176.300 -0.126 0.000 1.029 517 R CA -0.655 55.361 56.100 -0.140 0.000 0.929 517 R CB 1.137 31.366 30.300 -0.117 0.000 1.046 517 R HN 0.537 nan 8.270 nan 0.000 0.461 518 I N 5.222 125.741 120.570 -0.085 0.000 2.337 518 I HA -0.012 4.158 4.170 -0.000 0.000 0.291 518 I C 0.801 176.893 176.117 -0.042 0.000 1.046 518 I CA 0.009 61.271 61.300 -0.063 0.000 1.324 518 I CB 1.302 39.285 38.000 -0.027 0.000 1.409 518 I HN 0.651 nan 8.210 nan 0.000 0.494 519 L N 6.357 127.555 121.223 -0.042 0.000 2.567 519 L HA 0.122 4.462 4.340 -0.000 0.000 0.225 519 L C 0.553 177.420 176.870 -0.006 0.000 1.119 519 L CA 0.599 55.423 54.840 -0.027 0.000 0.871 519 L CB -0.449 41.592 42.059 -0.031 0.000 1.036 519 L HN 0.717 nan 8.230 nan 0.000 0.459 520 K N -1.683 118.720 120.400 0.005 0.000 2.880 520 K HA 0.273 4.593 4.320 -0.000 0.000 0.302 520 K C -1.762 174.866 176.600 0.045 0.000 1.135 520 K CA -0.578 55.723 56.287 0.024 0.000 0.917 520 K CB 0.260 32.775 32.500 0.024 0.000 1.387 520 K HN -0.248 nan 8.250 nan 0.000 0.380 521 C N 5.419 124.756 119.300 0.062 0.000 3.199 521 C HA 0.402 4.862 4.460 -0.000 0.000 0.376 521 C C 1.292 176.349 174.990 0.111 0.000 1.023 521 C CA -0.575 58.504 59.018 0.101 0.000 1.304 521 C CB 0.227 28.034 27.740 0.111 0.000 1.676 521 C HN 0.999 nan 8.230 nan 0.000 0.553 522 R N 1.266 121.837 120.500 0.118 0.000 2.132 522 R HA -0.178 4.162 4.340 -0.000 0.000 0.233 522 R C 1.782 178.166 176.300 0.140 0.000 1.125 522 R CA 2.514 58.682 56.100 0.112 0.000 0.914 522 R CB -0.639 29.732 30.300 0.119 0.000 0.845 522 R HN 0.816 nan 8.270 nan 0.000 0.431 523 F N 0.661 120.632 119.950 0.034 0.000 2.214 523 F HA -0.339 4.188 4.527 -0.000 0.000 0.302 523 F C 2.342 178.162 175.800 0.034 0.000 1.063 523 F CA 2.209 60.229 58.000 0.034 0.000 1.319 523 F CB 0.067 39.091 39.000 0.040 0.000 1.046 523 F HN 0.302 nan 8.300 nan 0.000 0.505 524 T N -4.708 109.859 114.554 0.021 0.000 3.057 524 T HA 0.326 4.676 4.350 -0.000 0.000 0.254 524 T C 1.707 176.393 174.700 -0.024 0.000 0.965 524 T CA 0.795 62.855 62.100 -0.065 0.000 0.978 524 T CB 0.151 69.033 68.868 0.024 0.000 1.169 524 T HN 0.517 nan 8.240 nan 0.000 0.489 525 G N 1.739 110.552 108.800 0.022 0.000 2.189 525 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.267 525 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.267 525 G C -0.125 174.784 174.900 0.015 0.000 0.975 525 G CA 0.519 45.629 45.100 0.016 0.000 0.644 525 G HN 0.859 nan 8.290 nan 0.000 0.537 526 D N 1.575 121.987 120.400 0.020 0.000 2.346 526 D HA 0.512 5.152 4.640 -0.000 0.000 0.260 526 D C 1.012 177.331 176.300 0.031 0.000 1.252 526 D CA 0.995 55.009 54.000 0.024 0.000 0.895 526 D CB 0.334 41.153 40.800 0.030 0.000 1.097 526 D HN 0.538 nan 8.370 nan 0.000 0.489 527 T N 0.372 114.938 114.554 0.021 0.000 2.831 527 T HA 0.887 5.237 4.350 -0.000 0.000 0.287 527 T C 0.461 175.166 174.700 0.008 0.000 1.070 527 T CA -0.177 61.931 62.100 0.014 0.000 1.010 527 T CB 1.506 70.379 68.868 0.009 0.000 1.264 527 T HN 0.717 nan 8.240 nan 0.000 0.532 528 G N 0.090 108.887 108.800 -0.005 0.000 2.362 528 G HA2 0.182 4.142 3.960 -0.000 0.000 0.517 528 G HA3 0.182 4.142 3.960 -0.000 0.000 0.517 528 G C -1.025 173.861 174.900 -0.023 0.000 1.256 528 G CA -0.623 44.471 45.100 -0.011 0.000 1.027 528 G HN 0.884 nan 8.290 nan 0.000 0.491 529 I N 1.440 121.999 120.570 -0.018 0.000 2.845 529 I HA 0.338 4.508 4.170 -0.000 0.000 0.296 529 I C 1.578 177.697 176.117 0.003 0.000 1.216 529 I CA 1.304 62.587 61.300 -0.028 0.000 1.438 529 I CB 0.756 38.769 38.000 0.021 0.000 1.342 529 I HN 1.430 nan 8.210 nan 0.000 0.577 530 A N 4.322 127.128 122.820 -0.022 0.000 2.600 530 A HA 0.637 4.957 4.320 -0.000 0.000 0.252 530 A C 0.611 178.233 177.584 0.063 0.000 1.200 530 A CA 0.447 52.495 52.037 0.018 0.000 0.981 530 A CB 0.148 19.140 19.000 -0.013 0.000 1.207 530 A HN 1.134 nan 8.150 nan 0.000 0.577 531 G N -1.350 107.504 108.800 0.090 0.000 2.353 531 G HA2 0.327 4.287 3.960 -0.000 0.000 0.424 531 G HA3 0.327 4.287 3.960 -0.000 0.000 0.424 531 G C -1.496 173.498 174.900 0.157 0.000 1.320 531 G CA -0.798 44.449 45.100 0.244 0.000 0.995 531 G HN 0.415 nan 8.290 nan 0.000 0.580 532 Y N -0.495 119.822 120.300 0.028 0.000 2.545 532 Y HA 0.854 5.404 4.550 -0.000 0.000 0.348 532 Y C 0.830 176.752 175.900 0.036 0.000 1.002 532 Y CA -1.030 57.069 58.100 -0.001 0.000 1.039 532 Y CB 2.120 40.557 38.460 -0.038 0.000 1.271 532 Y HN 0.741 nan 8.280 nan 0.000 0.467 533 M N 0.747 120.448 119.600 0.168 0.000 2.691 533 M HA 0.640 5.120 4.480 -0.000 0.000 0.293 533 M C -1.415 174.972 176.300 0.146 0.000 1.259 533 M CA -1.023 54.373 55.300 0.160 0.000 0.827 533 M CB 2.980 35.678 32.600 0.163 0.000 1.753 533 M HN 0.641 nan 8.290 nan 0.000 0.465 534 E N 0.462 120.753 120.200 0.153 0.000 2.272 534 E HA 0.355 4.705 4.350 -0.000 0.000 0.269 534 E C -2.141 174.577 176.600 0.197 0.000 0.877 534 E CA -0.625 55.864 56.400 0.148 0.000 0.755 534 E CB 2.088 31.855 29.700 0.112 0.000 1.192 534 E HN 0.606 nan 8.360 nan 0.000 0.422 535 Y N 3.988 124.325 120.300 0.062 0.000 2.402 535 Y HA 0.152 4.702 4.550 -0.000 0.000 0.333 535 Y C -0.154 175.788 175.900 0.071 0.000 1.076 535 Y CA -0.005 58.135 58.100 0.067 0.000 1.299 535 Y CB 0.656 39.142 38.460 0.043 0.000 1.197 535 Y HN 0.641 nan 8.280 nan 0.000 0.517 536 N N 6.023 124.452 118.700 -0.452 0.000 2.645 536 N HA 0.073 4.813 4.740 -0.000 0.000 0.233 536 N C 0.518 175.608 175.510 -0.700 0.000 1.058 536 N CA -0.363 52.461 53.050 -0.376 0.000 0.942 536 N CB 0.442 38.819 38.487 -0.183 0.000 1.210 536 N HN 0.702 nan 8.380 nan 0.000 0.512 537 K N 1.035 121.165 120.400 -0.451 0.000 2.228 537 K HA -0.216 4.103 4.320 -0.000 0.000 0.205 537 K C 1.198 177.728 176.600 -0.116 0.000 1.045 537 K CA 1.009 57.191 56.287 -0.177 0.000 0.931 537 K CB 0.183 32.736 32.500 0.088 0.000 0.727 537 K HN 0.647 nan 8.250 nan 0.000 0.458 538 E N 0.113 120.241 120.200 -0.120 0.000 2.033 538 E HA -0.107 4.243 4.350 -0.000 0.000 0.189 538 E C 2.109 178.686 176.600 -0.038 0.000 0.979 538 E CA 1.698 58.067 56.400 -0.052 0.000 0.802 538 E CB 0.197 29.871 29.700 -0.043 0.000 0.763 538 E HN 0.411 nan 8.360 nan 0.000 0.449 539 T N -3.547 110.975 114.554 -0.053 0.000 3.009 539 T HA 0.177 4.527 4.350 -0.000 0.000 0.258 539 T C 1.465 176.229 174.700 0.107 0.000 1.063 539 T CA 1.276 63.397 62.100 0.036 0.000 1.139 539 T CB 0.543 69.431 68.868 0.034 0.000 0.890 539 T HN 0.284 nan 8.240 nan 0.000 0.471 540 G N -0.148 108.620 108.800 -0.053 0.000 2.184 540 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.206 540 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.206 540 G C -0.242 174.626 174.900 -0.053 0.000 0.995 540 G CA -0.358 44.695 45.100 -0.078 0.000 0.651 540 G HN 0.495 nan 8.290 nan 0.000 0.511 541 W N -0.127 121.063 121.300 -0.183 0.000 2.375 541 W HA 0.744 5.404 4.660 -0.000 0.000 0.336 541 W C 0.244 176.769 176.519 0.011 0.000 1.160 541 W CA -0.996 56.313 57.345 -0.059 0.000 1.266 541 W CB 0.744 30.158 29.460 -0.076 0.000 1.195 541 W HN -0.032 nan 8.180 nan 0.000 0.599 542 L N 3.356 124.763 121.223 0.306 0.000 2.356 542 L HA 0.179 4.519 4.340 -0.000 0.000 0.282 542 L C 0.193 177.249 176.870 0.311 0.000 1.132 542 L CA -0.666 54.359 54.840 0.309 0.000 0.923 542 L CB -1.114 41.116 42.059 0.285 0.000 1.278 542 L HN 0.382 nan 8.230 nan 0.000 0.436 543 E N 5.425 125.769 120.200 0.241 0.000 2.404 543 E HA 0.152 4.502 4.350 -0.000 0.000 0.261 543 E C -2.066 174.628 176.600 0.156 0.000 1.074 543 E CA -1.248 55.251 56.400 0.165 0.000 0.917 543 E CB 0.480 30.230 29.700 0.084 0.000 0.965 543 E HN 0.363 nan 8.360 nan 0.000 0.433 544 P HA 0.021 nan 4.420 nan 0.000 0.275 544 P C -0.947 176.424 177.300 0.118 0.000 1.228 544 P CA -0.178 63.002 63.100 0.133 0.000 0.786 544 P CB 1.406 33.173 31.700 0.111 0.000 0.927 545 S N 0.930 116.714 115.700 0.141 0.000 2.570 545 S HA 0.492 4.962 4.470 -0.000 0.000 0.286 545 S C -0.463 174.215 174.600 0.129 0.000 1.099 545 S CA -0.592 57.686 58.200 0.130 0.000 0.913 545 S CB 0.802 64.088 63.200 0.144 0.000 1.085 545 S HN 0.471 nan 8.310 nan 0.000 0.480 546 S N 2.570 118.331 115.700 0.102 0.000 2.531 546 S HA 0.648 5.118 4.470 -0.000 0.000 0.279 546 S C -0.740 173.928 174.600 0.113 0.000 1.305 546 S CA -0.142 58.100 58.200 0.069 0.000 1.058 546 S CB 0.035 63.248 63.200 0.023 0.000 0.899 546 S HN 0.769 nan 8.310 nan 0.000 0.493 547 Y N 0.200 120.400 120.300 -0.167 0.000 2.916 547 Y HA 0.365 4.915 4.550 -0.000 0.000 0.397 547 Y C 0.286 175.990 175.900 -0.327 0.000 1.135 547 Y CA -0.288 57.619 58.100 -0.321 0.000 1.299 547 Y CB 0.454 38.534 38.460 -0.634 0.000 1.515 547 Y HN 0.803 nan 8.280 nan 0.000 0.502 548 S N -0.270 115.336 115.700 -0.157 0.000 6.644 548 S HA 0.377 4.847 4.470 -0.000 0.000 0.093 548 S C -0.115 174.521 174.600 0.061 0.000 1.396 548 S CA 0.138 58.332 58.200 -0.010 0.000 1.109 548 S CB -0.223 62.958 63.200 -0.032 0.000 1.676 548 S HN 1.139 nan 8.310 nan 0.000 0.577 549 G N 0.000 108.789 108.800 -0.019 0.000 5.446 549 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 549 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 549 G CA 0.000 45.103 45.100 0.004 0.000 0.502 549 G HN 0.000 nan 8.290 nan 0.000 0.925