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 3k5o_1_B DATA FIRST_RESID 2 DATA SEQUENCE AQAGFILTRH WRDTPQGTEV SFWLATDNGP LQVTLAPQES VAFIPADQVP DATA SEQUENCE RAQHILQGEQ GFRLTPLALK DFHRQPVYGL YCRAHRQLMN YEKRLREGGV DATA SEQUENCE TVYEADVRPP ERYLMERFIT SPVWVEGDMH NGTIVNARLK PHPDYRPPLK DATA SEQUENCE WVSIDIETTR HGELYCIGLE GCGQRIVYML GPENGDASSL DFELEYVASR DATA SEQUENCE PQLLEKLNAW FANYDPDVII GWNVVQFDLR MLQKHAERYR LPLRLGRDNS DATA SEQUENCE ELEWREHGFK NGVFFAQAKG RLIIDGIEAL KSAFWNFSSF SLETVAQELL DATA SEQUENCE GEGXXXXXXX XXXDEIDRRF AEDKPALATY NLKNCELVTQ IFHKTEIMPF DATA SEQUENCE LLERATVNGL PVDRHGGSVA AFGHLYFPRM HRAGYVAPNL GEVPPHASPG DATA SEQUENCE GYVMDSRPGL YDSVLVLDYK SLYPSIIRTF LIDPVGLVEG MAQPDPEHST DATA SEQUENCE EGFLDAWFSR EKHCLPEIVT NIWHGRDEAK RQGNKPLSQA LKIIMNAFYG DATA SEQUENCE VLGTTACRFF DPRLASSITM RGHQIMRQTK ALIEAQGYDV IYGDTDSTFV DATA SEQUENCE WLKGAHSEEE AAKIGRALVQ HVNAWWAETL QKQRLTSALE LEYETHFCRF DATA SEQUENCE LMPTIXXXXX XXXXXYAGLI QEGDKQRMVF KXXXXXXXXW TPLAQQFQQE DATA SEQUENCE LYLRIFRNEP YQEYVRETID KLMAGELDAR LVYRKRLRRP LSEYQRNVPP DATA SEQUENCE HVRAARLADE EXXXXXRPXX YQXXXTIKYV WTTNGPEPLD YQRSPLDYEH DATA SEQUENCE YLTRQLQPVA EGILPFIEDN FATLMTGQLG LF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.739 177.584 0.258 0.000 1.274 2 A CA 0.000 52.120 52.037 0.138 0.000 0.836 2 A CB 0.000 19.035 19.000 0.059 0.000 0.831 3 Q N 0.757 120.722 119.800 0.275 0.000 2.351 3 Q HA 0.780 5.119 4.340 -0.001 0.000 0.273 3 Q C 0.053 176.132 176.000 0.132 0.000 1.077 3 Q CA -0.727 55.210 55.803 0.223 0.000 0.843 3 Q CB 2.410 31.189 28.738 0.069 0.000 1.367 3 Q HN 1.276 nan 8.270 nan 0.000 0.449 4 A N 0.440 123.135 122.820 -0.208 0.000 2.316 4 A HA 0.832 5.152 4.320 -0.001 0.000 0.284 4 A C -0.033 176.997 177.584 -0.923 0.000 1.115 4 A CA 0.307 51.838 52.037 -0.844 0.000 0.812 4 A CB 0.647 18.926 19.000 -1.201 0.000 1.064 4 A HN 0.725 nan 8.150 nan 0.000 0.489 5 G N -0.879 107.361 108.800 -0.934 0.000 2.660 5 G HA2 0.552 4.511 3.960 -0.001 0.000 0.290 5 G HA3 0.552 4.511 3.960 -0.001 0.000 0.290 5 G C -1.822 172.982 174.900 -0.159 0.000 1.432 5 G CA -0.450 44.343 45.100 -0.511 0.000 0.807 5 G HN 0.834 nan 8.290 nan 0.000 0.485 6 F N 1.012 120.962 119.950 0.001 0.000 2.539 6 F HA 0.590 5.116 4.527 -0.001 0.000 0.328 6 F C 0.160 176.022 175.800 0.102 0.000 1.148 6 F CA -0.949 57.118 58.000 0.112 0.000 0.940 6 F CB 1.317 40.453 39.000 0.226 0.000 1.194 6 F HN 0.364 nan 8.300 nan 0.000 0.438 7 I N 7.257 127.767 120.570 -0.101 0.000 2.683 7 I HA -0.055 4.114 4.170 -0.001 0.000 0.286 7 I C 0.589 176.839 176.117 0.222 0.000 1.175 7 I CA 0.548 61.880 61.300 0.053 0.000 1.429 7 I CB 0.749 38.706 38.000 -0.071 0.000 1.371 7 I HN 0.777 nan 8.210 nan 0.000 0.569 8 L N 4.488 125.897 121.223 0.311 0.000 2.433 8 L HA 0.162 4.502 4.340 -0.001 0.000 0.200 8 L C 0.793 177.805 176.870 0.237 0.000 1.059 8 L CA 0.544 55.567 54.840 0.305 0.000 0.835 8 L CB 0.043 42.291 42.059 0.316 0.000 1.076 8 L HN 0.736 nan 8.230 nan 0.000 0.481 9 T N -1.412 113.316 114.554 0.291 0.000 2.903 9 T HA 0.618 4.967 4.350 -0.001 0.000 0.299 9 T C -0.621 174.154 174.700 0.125 0.000 1.093 9 T CA -0.814 61.387 62.100 0.169 0.000 1.002 9 T CB 2.696 71.680 68.868 0.193 0.000 1.127 9 T HN 0.000 nan 8.240 nan 0.000 0.488 10 R N 1.330 121.720 120.500 -0.184 0.000 2.637 10 R HA 0.710 5.050 4.340 -0.001 0.000 0.291 10 R C -0.544 175.349 176.300 -0.679 0.000 0.963 10 R CA -0.978 55.024 56.100 -0.162 0.000 0.901 10 R CB 1.338 31.728 30.300 0.150 0.000 1.160 10 R HN 0.698 nan 8.270 nan 0.000 0.457 11 H N 1.859 120.893 119.070 -0.060 0.000 3.012 11 H HA 0.374 4.929 4.556 -0.001 0.000 0.367 11 H C -1.062 174.255 175.328 -0.018 0.000 1.211 11 H CA -0.827 55.192 56.048 -0.048 0.000 1.139 11 H CB 2.471 32.209 29.762 -0.040 0.000 1.838 11 H HN 0.722 nan 8.280 nan 0.000 0.550 12 W N 1.228 122.535 121.300 0.011 0.000 3.167 12 W HA 0.634 5.293 4.660 -0.001 0.000 0.324 12 W C -1.588 174.930 176.519 -0.001 0.000 1.230 12 W CA -1.045 56.274 57.345 -0.044 0.000 1.184 12 W CB 2.237 31.642 29.460 -0.092 0.000 1.414 12 W HN 0.751 nan 8.180 nan 0.000 0.551 13 R N 1.247 121.853 120.500 0.177 0.000 2.536 13 R HA 0.293 4.632 4.340 -0.001 0.000 0.269 13 R C -1.447 174.986 176.300 0.221 0.000 1.113 13 R CA -0.700 55.403 56.100 0.005 0.000 0.948 13 R CB 1.845 32.085 30.300 -0.100 0.000 1.237 13 R HN 0.165 nan 8.270 nan 0.000 0.441 14 D N 2.610 123.172 120.400 0.271 0.000 2.382 14 D HA 0.256 4.895 4.640 -0.001 0.000 0.245 14 D C 0.046 176.417 176.300 0.118 0.000 1.120 14 D CA 0.666 54.805 54.000 0.233 0.000 0.890 14 D CB 1.830 42.780 40.800 0.251 0.000 1.201 14 D HN 0.686 nan 8.370 nan 0.000 0.433 15 T N -1.573 113.038 114.554 0.095 0.000 2.841 15 T HA 0.458 4.807 4.350 -0.001 0.000 0.296 15 T C -2.296 172.437 174.700 0.055 0.000 1.166 15 T CA -1.578 60.558 62.100 0.061 0.000 1.007 15 T CB 1.721 70.617 68.868 0.047 0.000 1.253 15 T HN -0.127 nan 8.240 nan 0.000 0.511 16 P HA 0.018 nan 4.420 nan 0.000 0.222 16 P C 1.122 178.443 177.300 0.035 0.000 1.147 16 P CA 0.795 63.916 63.100 0.037 0.000 0.790 16 P CB 0.134 31.852 31.700 0.029 0.000 0.780 17 Q N -0.813 119.008 119.800 0.035 0.000 2.280 17 Q HA 0.314 4.654 4.340 -0.001 0.000 0.201 17 Q C 0.985 177.008 176.000 0.038 0.000 0.890 17 Q CA 0.420 56.242 55.803 0.031 0.000 0.947 17 Q CB 0.423 29.175 28.738 0.024 0.000 1.081 17 Q HN 0.167 nan 8.270 nan 0.000 0.502 18 G N 0.367 109.198 108.800 0.050 0.000 2.541 18 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.686 18 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.686 18 G C -0.664 174.283 174.900 0.079 0.000 1.286 18 G CA -0.879 44.258 45.100 0.061 0.000 0.894 18 G HN 0.013 nan 8.290 nan 0.000 0.575 19 T N 1.010 115.621 114.554 0.095 0.000 2.834 19 T HA 0.417 4.766 4.350 -0.001 0.000 0.298 19 T C 0.541 175.303 174.700 0.103 0.000 0.966 19 T CA 0.567 62.748 62.100 0.135 0.000 1.141 19 T CB 1.204 70.160 68.868 0.147 0.000 0.905 19 T HN 0.643 nan 8.240 nan 0.000 0.535 20 E N 3.376 123.643 120.200 0.110 0.000 2.167 20 E HA 0.384 4.733 4.350 -0.001 0.000 0.284 20 E C -1.085 175.545 176.600 0.051 0.000 1.016 20 E CA -0.600 55.832 56.400 0.055 0.000 0.817 20 E CB 0.664 30.384 29.700 0.033 0.000 1.080 20 E HN 0.295 nan 8.360 nan 0.000 0.397 21 V N 4.235 124.132 119.914 -0.030 0.000 2.435 21 V HA 0.419 4.539 4.120 -0.001 0.000 0.290 21 V C -0.172 175.740 176.094 -0.304 0.000 1.030 21 V CA -0.367 61.852 62.300 -0.135 0.000 0.881 21 V CB 1.457 33.186 31.823 -0.156 0.000 0.983 21 V HN 0.809 nan 8.190 nan 0.000 0.445 22 S N 4.073 119.498 115.700 -0.458 0.000 2.618 22 S HA 0.892 5.361 4.470 -0.001 0.000 0.277 22 S C -1.325 172.860 174.600 -0.692 0.000 1.138 22 S CA -0.700 57.226 58.200 -0.456 0.000 0.844 22 S CB 2.068 65.176 63.200 -0.153 0.000 1.127 22 S HN 0.298 nan 8.310 nan 0.000 0.474 23 F N -0.607 119.404 119.950 0.102 0.000 2.588 23 F HA 0.638 5.164 4.527 -0.001 0.000 0.310 23 F C -1.317 174.526 175.800 0.072 0.000 1.082 23 F CA -0.782 57.325 58.000 0.177 0.000 0.929 23 F CB 1.440 40.501 39.000 0.100 0.000 1.254 23 F HN 0.633 nan 8.300 nan 0.000 0.455 24 W N 3.918 125.429 121.300 0.352 0.000 2.417 24 W HA 0.768 5.427 4.660 -0.001 0.000 0.315 24 W C -1.190 175.466 176.519 0.228 0.000 1.045 24 W CA -0.484 57.007 57.345 0.243 0.000 1.221 24 W CB 1.392 30.985 29.460 0.221 0.000 1.309 24 W HN 0.192 nan 8.180 nan 0.000 0.453 25 L N 3.534 124.945 121.223 0.314 0.000 2.342 25 L HA 0.821 5.161 4.340 -0.001 0.000 0.271 25 L C 0.274 177.301 176.870 0.261 0.000 1.008 25 L CA -1.432 53.560 54.840 0.254 0.000 0.818 25 L CB 1.468 43.605 42.059 0.130 0.000 1.296 25 L HN 0.426 nan 8.230 nan 0.000 0.427 26 A N 1.468 124.462 122.820 0.289 0.000 2.276 26 A HA 0.682 5.002 4.320 -0.001 0.000 0.300 26 A C 0.089 177.816 177.584 0.239 0.000 1.235 26 A CA -0.250 51.945 52.037 0.263 0.000 0.867 26 A CB 0.566 19.728 19.000 0.269 0.000 1.137 26 A HN 0.780 nan 8.150 nan 0.000 0.527 27 T N -1.303 113.357 114.554 0.177 0.000 2.858 27 T HA 0.445 4.794 4.350 -0.001 0.000 0.285 27 T C 0.026 174.830 174.700 0.174 0.000 1.052 27 T CA -0.397 61.780 62.100 0.129 0.000 1.009 27 T CB 1.118 70.006 68.868 0.034 0.000 1.241 27 T HN 0.280 nan 8.240 nan 0.000 0.542 28 D N 0.147 120.645 120.400 0.163 0.000 2.312 28 D HA 0.024 4.663 4.640 -0.001 0.000 0.211 28 D C 0.939 177.294 176.300 0.093 0.000 0.964 28 D CA 0.992 55.078 54.000 0.145 0.000 0.877 28 D CB -0.229 40.658 40.800 0.145 0.000 0.924 28 D HN 0.629 nan 8.370 nan 0.000 0.515 29 N N -0.221 118.527 118.700 0.079 0.000 2.273 29 N HA 0.364 5.103 4.740 -0.001 0.000 0.231 29 N C 0.572 176.123 175.510 0.068 0.000 1.134 29 N CA 0.047 53.135 53.050 0.062 0.000 0.856 29 N CB 1.403 39.920 38.487 0.051 0.000 1.068 29 N HN 0.066 nan 8.380 nan 0.000 0.510 30 G N 1.565 110.418 108.800 0.088 0.000 2.582 30 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.222 30 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.222 30 G C -2.902 172.078 174.900 0.132 0.000 1.311 30 G CA -1.146 44.016 45.100 0.103 0.000 0.915 30 G HN -0.013 nan 8.290 nan 0.000 0.528 31 P HA 0.472 nan 4.420 nan 0.000 0.269 31 P C -0.663 176.744 177.300 0.178 0.000 1.209 31 P CA 0.187 63.437 63.100 0.250 0.000 0.776 31 P CB 1.412 33.329 31.700 0.360 0.000 0.876 32 L N 1.990 123.290 121.223 0.128 0.000 2.476 32 L HA 0.353 4.693 4.340 -0.001 0.000 0.269 32 L C -0.518 176.191 176.870 -0.269 0.000 0.965 32 L CA -0.595 54.218 54.840 -0.045 0.000 0.845 32 L CB 1.905 43.958 42.059 -0.010 0.000 1.259 32 L HN 0.363 nan 8.230 nan 0.000 0.403 33 Q N 3.482 122.915 119.800 -0.612 0.000 2.243 33 Q HA 0.693 5.033 4.340 -0.001 0.000 0.252 33 Q C -1.754 173.981 176.000 -0.441 0.000 0.909 33 Q CA -0.521 54.670 55.803 -1.020 0.000 0.922 33 Q CB 1.619 29.480 28.738 -1.462 0.000 1.215 33 Q HN 0.629 nan 8.270 nan 0.000 0.427 34 V N 3.421 123.158 119.914 -0.295 0.000 2.638 34 V HA 0.470 4.589 4.120 -0.001 0.000 0.306 34 V C -0.424 175.642 176.094 -0.048 0.000 1.052 34 V CA -0.540 61.711 62.300 -0.081 0.000 0.885 34 V CB 2.108 33.965 31.823 0.057 0.000 0.999 34 V HN 0.985 nan 8.190 nan 0.000 0.424 35 T N 3.546 118.074 114.554 -0.044 0.000 2.876 35 T HA 0.796 5.146 4.350 -0.001 0.000 0.289 35 T C -0.673 174.008 174.700 -0.032 0.000 1.014 35 T CA -0.640 61.426 62.100 -0.056 0.000 0.986 35 T CB 1.389 70.220 68.868 -0.061 0.000 1.021 35 T HN 0.338 nan 8.240 nan 0.000 0.458 36 L N 2.042 123.226 121.223 -0.066 0.000 2.431 36 L HA 0.745 5.085 4.340 -0.001 0.000 0.260 36 L C 1.137 177.980 176.870 -0.045 0.000 1.098 36 L CA -1.410 53.384 54.840 -0.078 0.000 0.800 36 L CB 0.862 42.806 42.059 -0.192 0.000 1.210 36 L HN 0.965 nan 8.230 nan 0.000 0.465 37 A N 1.156 123.961 122.820 -0.024 0.000 2.313 37 A HA 0.473 4.793 4.320 -0.001 0.000 0.261 37 A C -2.320 175.264 177.584 0.001 0.000 1.090 37 A CA -1.234 50.801 52.037 -0.004 0.000 0.807 37 A CB -0.586 18.421 19.000 0.011 0.000 1.055 37 A HN 0.457 nan 8.150 nan 0.000 0.492 38 P HA 0.047 nan 4.420 nan 0.000 0.261 38 P C -0.884 176.440 177.300 0.041 0.000 1.173 38 P CA 0.631 63.748 63.100 0.029 0.000 0.760 38 P CB 0.279 31.998 31.700 0.032 0.000 0.783 39 Q N 2.302 122.132 119.800 0.050 0.000 2.333 39 Q HA 0.306 4.645 4.340 -0.001 0.000 0.267 39 Q C -0.026 176.022 176.000 0.080 0.000 1.012 39 Q CA -0.526 55.319 55.803 0.071 0.000 0.824 39 Q CB 1.931 30.711 28.738 0.071 0.000 1.290 39 Q HN 0.483 nan 8.270 nan 0.000 0.449 40 E N 0.754 121.018 120.200 0.107 0.000 2.373 40 E HA 0.293 4.643 4.350 -0.001 0.000 0.263 40 E C -0.505 176.166 176.600 0.117 0.000 1.073 40 E CA -0.133 56.346 56.400 0.132 0.000 0.894 40 E CB 0.943 30.770 29.700 0.211 0.000 1.008 40 E HN 0.343 nan 8.360 nan 0.000 0.420 41 S N 1.072 116.820 115.700 0.080 0.000 2.508 41 S HA 0.379 4.849 4.470 -0.001 0.000 0.284 41 S C -0.796 173.764 174.600 -0.067 0.000 1.192 41 S CA -0.680 57.538 58.200 0.031 0.000 1.070 41 S CB 1.513 64.749 63.200 0.060 0.000 1.004 41 S HN 0.279 nan 8.310 nan 0.000 0.493 42 V N 2.081 121.888 119.914 -0.179 0.000 2.823 42 V HA 0.958 5.077 4.120 -0.001 0.000 0.312 42 V C -0.654 175.106 176.094 -0.557 0.000 1.072 42 V CA -0.414 61.593 62.300 -0.488 0.000 0.937 42 V CB 1.774 33.182 31.823 -0.692 0.000 1.013 42 V HN 1.051 nan 8.190 nan 0.000 0.430 43 A N 4.506 126.895 122.820 -0.719 0.000 2.569 43 A HA 0.968 5.287 4.320 -0.001 0.000 0.290 43 A C -1.760 175.350 177.584 -0.791 0.000 1.136 43 A CA -0.541 51.130 52.037 -0.610 0.000 0.710 43 A CB 1.675 20.528 19.000 -0.245 0.000 1.303 43 A HN 0.730 nan 8.150 nan 0.000 0.413 44 F N -0.429 119.570 119.950 0.082 0.000 2.546 44 F HA 0.777 5.303 4.527 -0.001 0.000 0.320 44 F C -0.108 175.808 175.800 0.194 0.000 1.076 44 F CA -0.578 57.513 58.000 0.151 0.000 0.928 44 F CB 1.987 41.114 39.000 0.213 0.000 1.189 44 F HN 0.333 nan 8.300 nan 0.000 0.465 45 I N 2.637 123.428 120.570 0.368 0.000 2.619 45 I HA 0.384 4.553 4.170 -0.001 0.000 0.292 45 I C -2.670 173.600 176.117 0.255 0.000 1.100 45 I CA -2.421 59.008 61.300 0.215 0.000 1.043 45 I CB 2.724 40.775 38.000 0.085 0.000 1.239 45 I HN 0.258 nan 8.210 nan 0.000 0.420 46 P HA 0.021 nan 4.420 nan 0.000 0.265 46 P C 0.343 177.695 177.300 0.087 0.000 1.193 46 P CA 0.126 63.350 63.100 0.208 0.000 0.765 46 P CB 0.890 32.700 31.700 0.183 0.000 0.823 47 A N 4.219 127.103 122.820 0.107 0.000 1.917 47 A HA -0.234 4.085 4.320 -0.001 0.000 0.219 47 A C 1.616 179.123 177.584 -0.128 0.000 1.182 47 A CA 2.197 54.202 52.037 -0.054 0.000 0.633 47 A CB -1.336 17.771 19.000 0.179 0.000 0.819 47 A HN 0.642 nan 8.150 nan 0.000 0.448 48 D N -0.426 119.959 120.400 -0.025 0.000 2.378 48 D HA -0.143 4.497 4.640 -0.001 0.000 0.222 48 D C 1.377 177.647 176.300 -0.050 0.000 0.980 48 D CA 1.047 55.029 54.000 -0.031 0.000 0.907 48 D CB -0.515 40.286 40.800 0.002 0.000 0.899 48 D HN 0.662 nan 8.370 nan 0.000 0.527 49 Q N -0.134 119.629 119.800 -0.062 0.000 2.247 49 Q HA 0.168 4.508 4.340 -0.001 0.000 0.211 49 Q C 1.828 177.773 176.000 -0.092 0.000 0.861 49 Q CA -0.138 55.629 55.803 -0.059 0.000 0.949 49 Q CB 1.040 29.756 28.738 -0.038 0.000 1.115 49 Q HN 0.151 nan 8.270 nan 0.000 0.507 50 V N 1.858 121.668 119.914 -0.173 0.000 2.332 50 V HA -0.194 3.926 4.120 -0.001 0.000 0.248 50 V C -0.749 175.280 176.094 -0.109 0.000 1.055 50 V CA 2.003 64.172 62.300 -0.218 0.000 1.038 50 V CB -1.266 30.233 31.823 -0.539 0.000 0.651 50 V HN 0.235 nan 8.190 nan 0.000 0.450 51 P HA -0.179 nan 4.420 nan 0.000 0.215 51 P C 1.709 179.014 177.300 0.007 0.000 1.153 51 P CA 1.359 64.443 63.100 -0.026 0.000 0.853 51 P CB -0.067 31.617 31.700 -0.028 0.000 0.788 52 R N 0.628 121.124 120.500 -0.007 0.000 2.073 52 R HA -0.060 4.280 4.340 -0.001 0.000 0.234 52 R C 2.042 178.356 176.300 0.024 0.000 1.134 52 R CA 2.148 58.262 56.100 0.025 0.000 0.952 52 R CB -1.625 28.672 30.300 -0.004 0.000 0.850 52 R HN 0.051 nan 8.270 nan 0.000 0.433 53 A N -0.033 122.768 122.820 -0.032 0.000 1.933 53 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 53 A C 2.140 179.672 177.584 -0.086 0.000 1.175 53 A CA 1.622 53.611 52.037 -0.081 0.000 0.628 53 A CB -0.611 18.337 19.000 -0.087 0.000 0.814 53 A HN 0.491 nan 8.150 nan 0.000 0.444 54 Q N -0.711 119.083 119.800 -0.010 0.000 2.084 54 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 54 Q C 1.880 177.899 176.000 0.031 0.000 0.978 54 Q CA 2.298 58.129 55.803 0.046 0.000 0.844 54 Q CB -0.456 28.326 28.738 0.074 0.000 0.898 54 Q HN 0.885 nan 8.270 nan 0.000 0.426 55 H N -0.524 118.526 119.070 -0.033 0.000 2.321 55 H HA -0.039 4.516 4.556 -0.001 0.000 0.300 55 H C 1.647 176.937 175.328 -0.063 0.000 1.087 55 H CA 2.019 58.046 56.048 -0.035 0.000 1.319 55 H CB -0.255 29.486 29.762 -0.035 0.000 1.379 55 H HN 0.335 nan 8.280 nan 0.000 0.501 56 I N 0.099 120.455 120.570 -0.356 0.000 2.361 56 I HA -0.212 3.958 4.170 -0.001 0.000 0.251 56 I C 1.413 177.290 176.117 -0.400 0.000 1.133 56 I CA 1.095 62.147 61.300 -0.412 0.000 1.413 56 I CB -0.022 37.836 38.000 -0.238 0.000 1.073 56 I HN 0.284 nan 8.210 nan 0.000 0.424 57 L N -0.074 120.921 121.223 -0.380 0.000 2.700 57 L HA 0.097 4.436 4.340 -0.001 0.000 0.234 57 L C 2.024 178.813 176.870 -0.135 0.000 1.156 57 L CA 0.015 54.579 54.840 -0.460 0.000 0.946 57 L CB -0.212 41.295 42.059 -0.919 0.000 1.216 57 L HN 0.256 nan 8.230 nan 0.000 0.493 58 Q N 0.928 120.666 119.800 -0.104 0.000 2.181 58 Q HA -0.180 4.159 4.340 -0.001 0.000 0.205 58 Q C 2.061 178.079 176.000 0.030 0.000 0.980 58 Q CA 1.788 57.595 55.803 0.006 0.000 0.862 58 Q CB 0.008 28.736 28.738 -0.016 0.000 0.905 58 Q HN 0.602 nan 8.270 nan 0.000 0.429 59 G N -0.081 108.709 108.800 -0.015 0.000 2.551 59 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.216 59 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.216 59 G C 0.292 175.233 174.900 0.069 0.000 1.137 59 G CA -0.090 45.020 45.100 0.016 0.000 0.798 59 G HN 0.198 nan 8.290 nan 0.000 0.536 60 E N 0.363 120.625 120.200 0.104 0.000 2.392 60 E HA 0.355 4.704 4.350 -0.001 0.000 0.256 60 E C -0.052 176.763 176.600 0.357 0.000 1.145 60 E CA 0.252 56.791 56.400 0.232 0.000 0.929 60 E CB 0.850 30.618 29.700 0.112 0.000 0.998 60 E HN 0.338 nan 8.360 nan 0.000 0.442 61 Q N -1.350 118.659 119.800 0.348 0.000 2.544 61 Q HA 0.509 4.848 4.340 -0.001 0.000 0.291 61 Q C -0.001 176.173 176.000 0.290 0.000 1.068 61 Q CA -0.470 55.460 55.803 0.212 0.000 0.785 61 Q CB 2.227 31.031 28.738 0.110 0.000 1.481 61 Q HN 0.736 nan 8.270 nan 0.000 0.430 62 G N 0.839 109.720 108.800 0.134 0.000 2.160 62 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 62 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 62 G C -0.528 174.529 174.900 0.261 0.000 1.022 62 G CA 0.878 46.070 45.100 0.153 0.000 0.741 62 G HN 0.501 nan 8.290 nan 0.000 0.508 63 F N -1.277 118.759 119.950 0.143 0.000 2.662 63 F HA 0.920 5.447 4.527 -0.001 0.000 0.312 63 F C -0.576 175.309 175.800 0.141 0.000 1.113 63 F CA -1.471 56.633 58.000 0.174 0.000 0.951 63 F CB 1.171 40.339 39.000 0.280 0.000 1.344 63 F HN 0.446 nan 8.300 nan 0.000 0.462 64 R N 2.108 122.777 120.500 0.282 0.000 2.680 64 R HA 0.756 5.096 4.340 -0.001 0.000 0.269 64 R C -2.508 174.044 176.300 0.421 0.000 1.026 64 R CA -1.085 55.106 56.100 0.153 0.000 0.889 64 R CB 2.019 32.358 30.300 0.064 0.000 1.241 64 R HN 0.886 nan 8.270 nan 0.000 0.463 65 L N 1.964 123.407 121.223 0.366 0.000 2.319 65 L HA 0.481 4.820 4.340 -0.001 0.000 0.281 65 L C -0.814 176.296 176.870 0.400 0.000 1.005 65 L CA -0.490 54.609 54.840 0.432 0.000 0.828 65 L CB 2.381 44.692 42.059 0.421 0.000 1.227 65 L HN 0.764 nan 8.230 nan 0.000 0.415 66 T N 3.882 118.645 114.554 0.349 0.000 2.824 66 T HA 0.435 4.784 4.350 -0.001 0.000 0.282 66 T C -2.655 171.870 174.700 -0.292 0.000 0.993 66 T CA -1.404 60.742 62.100 0.077 0.000 0.967 66 T CB 1.938 70.890 68.868 0.140 0.000 0.960 66 T HN 0.275 nan 8.240 nan 0.000 0.441 67 P HA 0.391 nan 4.420 nan 0.000 0.271 67 P C -1.027 176.092 177.300 -0.302 0.000 1.216 67 P CA -0.353 62.150 63.100 -0.994 0.000 0.776 67 P CB 0.858 32.059 31.700 -0.831 0.000 0.881 68 L N 1.315 122.450 121.223 -0.146 0.000 2.350 68 L HA 0.588 4.927 4.340 -0.001 0.000 0.260 68 L C 0.711 177.554 176.870 -0.044 0.000 1.015 68 L CA -1.288 53.534 54.840 -0.031 0.000 0.821 68 L CB 1.893 43.996 42.059 0.073 0.000 1.370 68 L HN 0.206 nan 8.230 nan 0.000 0.416 69 A N 2.700 125.490 122.820 -0.049 0.000 3.033 69 A HA 0.576 4.896 4.320 -0.001 0.000 0.250 69 A C -0.290 177.227 177.584 -0.113 0.000 1.633 69 A CA 0.170 52.164 52.037 -0.072 0.000 1.290 69 A CB -0.885 18.077 19.000 -0.063 0.000 1.048 69 A HN 0.484 nan 8.150 nan 0.000 0.648 70 L N -0.484 120.664 121.223 -0.125 0.000 2.350 70 L HA 0.585 4.925 4.340 -0.001 0.000 0.260 70 L C -0.310 176.437 176.870 -0.204 0.000 1.015 70 L CA -0.788 53.926 54.840 -0.209 0.000 0.821 70 L CB 2.611 44.516 42.059 -0.256 0.000 1.370 70 L HN 0.292 nan 8.230 nan 0.000 0.416 71 K N 0.041 120.253 120.400 -0.314 0.000 2.443 71 K HA 0.448 4.767 4.320 -0.001 0.000 0.251 71 K C -1.515 175.011 176.600 -0.122 0.000 0.972 71 K CA -1.022 55.133 56.287 -0.220 0.000 0.833 71 K CB 2.084 34.390 32.500 -0.325 0.000 1.317 71 K HN 0.586 nan 8.250 nan 0.000 0.441 72 D N -0.310 120.090 120.400 0.001 0.000 2.478 72 D HA 0.070 4.710 4.640 -0.001 0.000 0.269 72 D C 0.475 176.928 176.300 0.256 0.000 1.232 72 D CA -0.453 53.532 54.000 -0.025 0.000 1.059 72 D CB 0.208 40.897 40.800 -0.185 0.000 1.104 72 D HN 0.298 nan 8.370 nan 0.000 0.566 73 F N -0.887 118.976 119.950 -0.145 0.000 2.641 73 F HA -0.045 4.482 4.527 -0.001 0.000 0.298 73 F C 1.704 177.408 175.800 -0.159 0.000 1.146 73 F CA 0.653 58.564 58.000 -0.149 0.000 1.464 73 F CB -0.296 38.548 39.000 -0.259 0.000 1.101 73 F HN 0.391 nan 8.300 nan 0.000 0.585 74 H N -0.284 118.918 119.070 0.221 0.000 2.551 74 H HA 0.263 4.819 4.556 -0.001 0.000 0.271 74 H C 0.704 176.102 175.328 0.117 0.000 0.984 74 H CA 0.096 56.233 56.048 0.147 0.000 1.164 74 H CB 0.135 29.985 29.762 0.146 0.000 1.437 74 H HN 0.148 nan 8.280 nan 0.000 0.550 75 R N 0.493 121.124 120.500 0.219 0.000 3.776 75 R HA -0.185 4.155 4.340 -0.001 0.000 0.312 75 R C 0.068 176.429 176.300 0.101 0.000 1.181 75 R CA 0.499 56.687 56.100 0.146 0.000 0.836 75 R CB -1.860 28.509 30.300 0.116 0.000 1.324 75 R HN 0.320 nan 8.270 nan 0.000 0.501 76 Q N 1.147 121.033 119.800 0.142 0.000 2.241 76 Q HA 0.427 4.766 4.340 -0.001 0.000 0.254 76 Q C -2.496 173.563 176.000 0.099 0.000 0.917 76 Q CA -2.234 53.643 55.803 0.124 0.000 0.919 76 Q CB 1.348 30.188 28.738 0.169 0.000 1.237 76 Q HN -0.170 nan 8.270 nan 0.000 0.434 77 P HA 0.008 nan 4.420 nan 0.000 0.267 77 P C -1.208 176.194 177.300 0.170 0.000 1.200 77 P CA -0.117 63.035 63.100 0.087 0.000 0.772 77 P CB 0.696 32.457 31.700 0.101 0.000 0.855 78 V N 0.212 120.237 119.914 0.185 0.000 3.074 78 V HA 0.573 4.692 4.120 -0.001 0.000 0.314 78 V C -1.168 175.181 176.094 0.425 0.000 1.117 78 V CA -1.050 61.434 62.300 0.307 0.000 1.014 78 V CB 1.722 33.709 31.823 0.274 0.000 1.057 78 V HN 0.382 nan 8.190 nan 0.000 0.438 79 Y N 0.158 120.581 120.300 0.205 0.000 2.496 79 Y HA 0.769 5.319 4.550 -0.001 0.000 0.331 79 Y C 0.969 177.024 175.900 0.259 0.000 1.140 79 Y CA -0.497 57.725 58.100 0.205 0.000 1.166 79 Y CB 2.469 41.025 38.460 0.160 0.000 1.249 79 Y HN 0.991 nan 8.280 nan 0.000 0.479 80 G N 1.744 110.754 108.800 0.349 0.000 2.356 80 G HA2 0.466 4.426 3.960 -0.001 0.000 0.322 80 G HA3 0.466 4.426 3.960 -0.001 0.000 0.322 80 G C -1.975 172.897 174.900 -0.047 0.000 1.125 80 G CA -0.507 44.615 45.100 0.037 0.000 0.885 80 G HN 0.419 nan 8.290 nan 0.000 0.467 81 L N 2.699 123.765 121.223 -0.263 0.000 2.276 81 L HA 0.590 4.930 4.340 -0.001 0.000 0.286 81 L C -1.381 175.347 176.870 -0.237 0.000 1.024 81 L CA -1.219 53.581 54.840 -0.067 0.000 0.826 81 L CB 0.167 42.202 42.059 -0.041 0.000 1.211 81 L HN 0.463 nan 8.230 nan 0.000 0.422 82 Y N 3.901 124.264 120.300 0.105 0.000 2.328 82 Y HA 0.580 5.129 4.550 -0.001 0.000 0.337 82 Y C 0.231 176.210 175.900 0.132 0.000 1.008 82 Y CA -0.315 57.828 58.100 0.072 0.000 1.129 82 Y CB 1.432 39.929 38.460 0.061 0.000 1.185 82 Y HN 0.538 nan 8.280 nan 0.000 0.476 83 C N 3.299 122.715 119.300 0.193 0.000 2.634 83 C HA 0.406 4.865 4.460 -0.001 0.000 0.313 83 C C 1.359 176.411 174.990 0.102 0.000 1.198 83 C CA -1.130 57.972 59.018 0.140 0.000 1.605 83 C CB 2.041 29.772 27.740 -0.014 0.000 2.196 83 C HN 0.866 nan 8.230 nan 0.000 0.486 84 R N 1.011 121.567 120.500 0.093 0.000 2.189 84 R HA 0.133 4.473 4.340 -0.001 0.000 0.218 84 R C 0.568 176.905 176.300 0.061 0.000 1.074 84 R CA 0.573 56.718 56.100 0.075 0.000 0.991 84 R CB -0.335 30.008 30.300 0.070 0.000 0.883 84 R HN 0.819 nan 8.270 nan 0.000 0.457 85 A N -0.376 122.461 122.820 0.028 0.000 2.371 85 A HA 0.313 4.633 4.320 -0.001 0.000 0.311 85 A C 0.401 177.974 177.584 -0.019 0.000 1.068 85 A CA -0.635 51.426 52.037 0.040 0.000 0.744 85 A CB 1.170 20.192 19.000 0.036 0.000 1.239 85 A HN 0.234 nan 8.150 nan 0.000 0.435 86 H N 1.504 120.522 119.070 -0.087 0.000 2.428 86 H HA -0.040 4.515 4.556 -0.001 0.000 0.296 86 H C 1.916 177.151 175.328 -0.154 0.000 1.062 86 H CA 1.941 57.848 56.048 -0.235 0.000 1.350 86 H CB 0.251 29.633 29.762 -0.633 0.000 1.403 86 H HN 0.819 nan 8.280 nan 0.000 0.533 87 R N 0.747 121.251 120.500 0.006 0.000 2.115 87 R HA -0.123 4.216 4.340 -0.001 0.000 0.230 87 R C 2.586 178.788 176.300 -0.163 0.000 1.111 87 R CA 1.480 57.580 56.100 0.001 0.000 0.976 87 R CB -0.042 30.340 30.300 0.137 0.000 0.870 87 R HN 0.443 nan 8.270 nan 0.000 0.445 88 Q N 0.332 119.995 119.800 -0.228 0.000 2.046 88 Q HA -0.193 4.146 4.340 -0.001 0.000 0.200 88 Q C 2.036 177.622 176.000 -0.689 0.000 0.975 88 Q CA 1.554 57.084 55.803 -0.456 0.000 0.836 88 Q CB -0.150 28.339 28.738 -0.416 0.000 0.896 88 Q HN 0.372 nan 8.270 nan 0.000 0.428 89 L N 0.293 121.208 121.223 -0.512 0.000 2.079 89 L HA -0.145 4.195 4.340 -0.001 0.000 0.210 89 L C 2.271 178.940 176.870 -0.335 0.000 1.081 89 L CA 1.733 56.319 54.840 -0.425 0.000 0.752 89 L CB -0.378 41.440 42.059 -0.401 0.000 0.896 89 L HN 0.324 nan 8.230 nan 0.000 0.433 90 M N -0.337 119.044 119.600 -0.365 0.000 2.175 90 M HA -0.167 4.313 4.480 -0.001 0.000 0.264 90 M C 2.038 178.270 176.300 -0.115 0.000 1.063 90 M CA 1.697 56.866 55.300 -0.220 0.000 1.119 90 M CB -0.582 31.916 32.600 -0.169 0.000 1.377 90 M HN 0.476 nan 8.290 nan 0.000 0.415 91 N N -0.927 117.696 118.700 -0.129 0.000 2.106 91 N HA -0.182 4.558 4.740 -0.001 0.000 0.188 91 N C 1.484 177.055 175.510 0.101 0.000 1.029 91 N CA 1.556 54.594 53.050 -0.021 0.000 0.848 91 N CB -0.191 38.284 38.487 -0.020 0.000 1.007 91 N HN 0.301 nan 8.380 nan 0.000 0.423 92 Y N 1.365 121.590 120.300 -0.125 0.000 2.224 92 Y HA -0.092 4.457 4.550 -0.001 0.000 0.289 92 Y C 2.430 178.245 175.900 -0.142 0.000 1.146 92 Y CA 1.006 59.011 58.100 -0.159 0.000 1.182 92 Y CB -1.066 37.265 38.460 -0.215 0.000 0.983 92 Y HN 0.361 nan 8.280 nan 0.000 0.524 93 E N 0.737 120.956 120.200 0.032 0.000 2.058 93 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 93 E C 1.922 178.510 176.600 -0.020 0.000 0.997 93 E CA 1.627 58.014 56.400 -0.022 0.000 0.801 93 E CB 0.026 29.697 29.700 -0.049 0.000 0.746 93 E HN 0.392 nan 8.360 nan 0.000 0.450 94 K N 0.131 120.525 120.400 -0.009 0.000 2.063 94 K HA -0.144 4.176 4.320 -0.001 0.000 0.208 94 K C 2.378 178.969 176.600 -0.014 0.000 1.048 94 K CA 1.642 57.925 56.287 -0.008 0.000 0.928 94 K CB -0.110 32.391 32.500 0.002 0.000 0.713 94 K HN 0.051 nan 8.250 nan 0.000 0.442 95 R N 0.573 121.066 120.500 -0.011 0.000 2.081 95 R HA -0.076 4.263 4.340 -0.001 0.000 0.235 95 R C 2.291 178.553 176.300 -0.063 0.000 1.131 95 R CA 1.204 57.281 56.100 -0.038 0.000 0.960 95 R CB -0.369 29.899 30.300 -0.054 0.000 0.856 95 R HN 0.132 nan 8.270 nan 0.000 0.436 96 L N 0.262 121.443 121.223 -0.070 0.000 2.056 96 L HA -0.137 4.202 4.340 -0.001 0.000 0.207 96 L C 2.550 179.384 176.870 -0.060 0.000 1.078 96 L CA 1.112 55.903 54.840 -0.081 0.000 0.749 96 L CB -0.340 41.665 42.059 -0.091 0.000 0.901 96 L HN 0.104 nan 8.230 nan 0.000 0.433 97 R N 0.231 120.700 120.500 -0.051 0.000 2.073 97 R HA -0.215 4.125 4.340 -0.001 0.000 0.234 97 R C 2.033 178.314 176.300 -0.032 0.000 1.134 97 R CA 1.576 57.650 56.100 -0.044 0.000 0.952 97 R CB -0.774 29.505 30.300 -0.035 0.000 0.850 97 R HN 0.492 nan 8.270 nan 0.000 0.433 98 E N 0.536 120.720 120.200 -0.027 0.000 2.118 98 E HA -0.138 4.212 4.350 -0.001 0.000 0.195 98 E C 1.560 178.149 176.600 -0.019 0.000 0.992 98 E CA 1.431 57.820 56.400 -0.019 0.000 0.804 98 E CB -0.205 29.485 29.700 -0.018 0.000 0.741 98 E HN 0.432 nan 8.360 nan 0.000 0.458 99 G N -0.794 107.991 108.800 -0.026 0.000 3.088 99 G HA2 0.212 4.172 3.960 -0.001 0.000 0.212 99 G HA3 0.212 4.172 3.960 -0.001 0.000 0.212 99 G C 0.908 175.798 174.900 -0.017 0.000 1.173 99 G CA 0.164 45.254 45.100 -0.016 0.000 0.779 99 G HN 0.497 nan 8.290 nan 0.000 0.540 100 G N -1.101 107.684 108.800 -0.025 0.000 2.136 100 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.242 100 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.242 100 G C 0.100 174.977 174.900 -0.038 0.000 0.989 100 G CA 0.125 45.209 45.100 -0.027 0.000 0.682 100 G HN 0.691 nan 8.290 nan 0.000 0.522 101 V N 1.170 121.054 119.914 -0.050 0.000 2.439 101 V HA 0.547 4.666 4.120 -0.001 0.000 0.282 101 V C 0.967 177.004 176.094 -0.094 0.000 1.039 101 V CA -0.127 62.135 62.300 -0.064 0.000 0.913 101 V CB 1.633 33.416 31.823 -0.068 0.000 0.983 101 V HN 0.292 nan 8.190 nan 0.000 0.460 102 T N 4.890 119.373 114.554 -0.119 0.000 2.851 102 T HA 0.428 4.778 4.350 -0.001 0.000 0.298 102 T C -0.198 174.321 174.700 -0.301 0.000 0.977 102 T CA -0.019 61.944 62.100 -0.228 0.000 1.126 102 T CB 0.833 69.548 68.868 -0.256 0.000 0.916 102 T HN 0.415 nan 8.240 nan 0.000 0.529 103 V N 4.462 124.170 119.914 -0.342 0.000 2.588 103 V HA 0.449 4.568 4.120 -0.001 0.000 0.304 103 V C -1.206 174.734 176.094 -0.256 0.000 1.042 103 V CA -1.020 61.138 62.300 -0.237 0.000 0.877 103 V CB 1.385 33.143 31.823 -0.109 0.000 0.996 103 V HN 0.760 nan 8.190 nan 0.000 0.425 104 Y N 1.222 121.600 120.300 0.130 0.000 2.446 104 Y HA 0.459 5.009 4.550 -0.001 0.000 0.338 104 Y C 1.034 177.065 175.900 0.219 0.000 1.055 104 Y CA -1.121 57.083 58.100 0.175 0.000 1.101 104 Y CB 1.261 39.866 38.460 0.242 0.000 1.221 104 Y HN 0.805 nan 8.280 nan 0.000 0.460 105 E N -0.185 120.252 120.200 0.395 0.000 2.722 105 E HA -0.315 4.034 4.350 -0.001 0.000 0.265 105 E C 0.889 177.608 176.600 0.198 0.000 1.081 105 E CA 0.472 57.089 56.400 0.362 0.000 0.781 105 E CB -1.036 28.995 29.700 0.552 0.000 1.372 105 E HN 0.772 nan 8.360 nan 0.000 0.423 106 A N 1.108 123.995 122.820 0.111 0.000 2.119 106 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 106 A C 1.826 179.448 177.584 0.064 0.000 1.153 106 A CA 1.330 53.383 52.037 0.027 0.000 0.692 106 A CB -0.108 18.878 19.000 -0.023 0.000 0.799 106 A HN 0.481 nan 8.150 nan 0.000 0.458 107 D N -0.135 120.326 120.400 0.102 0.000 2.347 107 D HA -0.017 4.623 4.640 -0.001 0.000 0.215 107 D C 0.225 176.587 176.300 0.103 0.000 0.976 107 D CA 0.330 54.392 54.000 0.102 0.000 0.884 107 D CB -0.440 40.415 40.800 0.093 0.000 0.915 107 D HN 0.171 nan 8.370 nan 0.000 0.526 108 V N 2.580 122.563 119.914 0.116 0.000 2.470 108 V HA 0.120 4.240 4.120 -0.001 0.000 0.276 108 V C 0.841 176.938 176.094 0.005 0.000 1.040 108 V CA -0.546 61.795 62.300 0.068 0.000 1.008 108 V CB 0.807 32.702 31.823 0.121 0.000 0.990 108 V HN 0.059 nan 8.190 nan 0.000 0.477 109 R N 5.555 125.995 120.500 -0.101 0.000 2.560 109 R HA 0.270 4.610 4.340 -0.001 0.000 0.270 109 R C -1.603 174.475 176.300 -0.371 0.000 1.074 109 R CA -2.308 53.540 56.100 -0.420 0.000 1.140 109 R CB 0.143 30.269 30.300 -0.289 0.000 1.073 109 R HN 0.329 nan 8.270 nan 0.000 0.527 110 P HA -0.125 nan 4.420 nan 0.000 0.216 110 P C -1.443 175.855 177.300 -0.005 0.000 1.157 110 P CA 1.740 64.669 63.100 -0.286 0.000 0.880 110 P CB -0.514 30.954 31.700 -0.387 0.000 0.791 111 P HA -0.134 nan 4.420 nan 0.000 0.215 111 P C 1.405 178.915 177.300 0.350 0.000 1.157 111 P CA 1.464 64.721 63.100 0.261 0.000 0.863 111 P CB -0.326 31.506 31.700 0.220 0.000 0.787 112 E N -0.700 119.623 120.200 0.205 0.000 2.110 112 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 112 E C 2.093 178.754 176.600 0.102 0.000 0.988 112 E CA 0.945 57.449 56.400 0.173 0.000 0.804 112 E CB -0.637 29.130 29.700 0.110 0.000 0.745 112 E HN 0.027 nan 8.360 nan 0.000 0.458 113 R N -0.160 120.397 120.500 0.095 0.000 2.083 113 R HA -0.197 4.143 4.340 -0.001 0.000 0.237 113 R C 2.190 178.564 176.300 0.124 0.000 1.137 113 R CA 1.579 57.737 56.100 0.097 0.000 0.951 113 R CB -0.998 29.358 30.300 0.093 0.000 0.851 113 R HN 0.353 nan 8.270 nan 0.000 0.434 114 Y N 0.403 120.754 120.300 0.085 0.000 2.163 114 Y HA -0.107 4.442 4.550 -0.001 0.000 0.288 114 Y C 1.779 177.714 175.900 0.059 0.000 1.136 114 Y CA 1.972 60.133 58.100 0.101 0.000 1.147 114 Y CB -0.182 38.391 38.460 0.188 0.000 0.987 114 Y HN 0.060 nan 8.280 nan 0.000 0.509 115 L N -0.576 120.738 121.223 0.152 0.000 2.017 115 L HA -0.282 4.057 4.340 -0.001 0.000 0.208 115 L C 2.666 179.463 176.870 -0.120 0.000 1.073 115 L CA 1.787 56.630 54.840 0.004 0.000 0.745 115 L CB -0.650 41.496 42.059 0.145 0.000 0.894 115 L HN 0.346 nan 8.230 nan 0.000 0.432 116 M N -0.435 119.047 119.600 -0.196 0.000 2.082 116 M HA -0.244 4.235 4.480 -0.001 0.000 0.258 116 M C 2.198 178.277 176.300 -0.369 0.000 1.071 116 M CA 1.771 56.810 55.300 -0.433 0.000 1.103 116 M CB -0.262 32.089 32.600 -0.416 0.000 1.307 116 M HN 0.168 nan 8.290 nan 0.000 0.409 117 E N -0.102 119.939 120.200 -0.264 0.000 2.401 117 E HA -0.138 4.211 4.350 -0.001 0.000 0.199 117 E C 1.197 177.539 176.600 -0.430 0.000 1.023 117 E CA 0.991 57.214 56.400 -0.296 0.000 0.859 117 E CB -0.208 29.417 29.700 -0.125 0.000 0.780 117 E HN 0.532 nan 8.360 nan 0.000 0.523 118 R N -0.485 119.791 120.500 -0.373 0.000 2.507 118 R HA 0.149 4.488 4.340 -0.001 0.000 0.298 118 R C -0.348 175.955 176.300 0.005 0.000 0.999 118 R CA -0.310 55.664 56.100 -0.210 0.000 1.082 118 R CB 0.010 30.153 30.300 -0.262 0.000 1.246 118 R HN -0.036 nan 8.270 nan 0.000 0.553 119 F N 0.061 119.985 119.950 -0.043 0.000 3.100 119 F HA -0.266 4.260 4.527 -0.001 0.000 0.283 119 F C -0.010 175.805 175.800 0.027 0.000 0.900 119 F CA 0.376 58.377 58.000 0.001 0.000 1.010 119 F CB -1.815 37.187 39.000 0.004 0.000 1.029 119 F HN 0.088 nan 8.300 nan 0.000 0.637 120 I N 0.008 120.654 120.570 0.127 0.000 2.392 120 I HA 0.327 4.496 4.170 -0.001 0.000 0.295 120 I C 1.248 177.450 176.117 0.143 0.000 0.985 120 I CA 0.297 61.652 61.300 0.092 0.000 1.221 120 I CB 1.655 39.653 38.000 -0.003 0.000 1.366 120 I HN 0.255 nan 8.210 nan 0.000 0.467 121 T N -0.117 114.457 114.554 0.035 0.000 3.499 121 T HA 0.175 4.524 4.350 -0.001 0.000 0.227 121 T C 1.191 175.778 174.700 -0.187 0.000 0.946 121 T CA 0.290 62.349 62.100 -0.068 0.000 1.368 121 T CB 0.354 69.177 68.868 -0.076 0.000 1.227 121 T HN 0.454 nan 8.240 nan 0.000 0.398 122 S N 1.263 116.781 115.700 -0.303 0.000 3.056 122 S HA 0.392 4.862 4.470 -0.001 0.000 0.255 122 S C -2.484 171.719 174.600 -0.662 0.000 1.079 122 S CA -0.234 57.597 58.200 -0.616 0.000 0.810 122 S CB 0.149 62.696 63.200 -1.089 0.000 0.810 122 S HN 0.332 nan 8.310 nan 0.000 0.477 123 P HA 0.273 nan 4.420 nan 0.000 0.276 123 P C -0.923 176.321 177.300 -0.093 0.000 1.235 123 P CA 0.123 63.131 63.100 -0.154 0.000 0.772 123 P CB 1.165 32.908 31.700 0.072 0.000 0.871 124 V N 0.201 120.035 119.914 -0.133 0.000 3.188 124 V HA 0.636 4.755 4.120 -0.001 0.000 0.305 124 V C -1.795 174.213 176.094 -0.145 0.000 1.232 124 V CA -1.257 60.994 62.300 -0.082 0.000 1.043 124 V CB 1.967 33.746 31.823 -0.074 0.000 1.068 124 V HN 0.395 nan 8.190 nan 0.000 0.439 125 W N 1.027 122.374 121.300 0.078 0.000 2.529 125 W HA 0.789 5.449 4.660 -0.001 0.000 0.321 125 W C -0.457 176.079 176.519 0.029 0.000 1.047 125 W CA -0.754 56.633 57.345 0.071 0.000 1.216 125 W CB 2.027 31.528 29.460 0.069 0.000 1.357 125 W HN 0.656 nan 8.180 nan 0.000 0.489 126 V N 4.439 124.515 119.914 0.270 0.000 2.656 126 V HA 0.531 4.651 4.120 -0.001 0.000 0.307 126 V C -0.773 175.412 176.094 0.151 0.000 1.051 126 V CA -0.511 61.888 62.300 0.165 0.000 0.893 126 V CB 1.660 33.536 31.823 0.088 0.000 0.999 126 V HN 0.630 nan 8.190 nan 0.000 0.426 127 E N 4.024 124.295 120.200 0.119 0.000 2.343 127 E HA 0.847 5.197 4.350 -0.001 0.000 0.270 127 E C -0.256 176.386 176.600 0.070 0.000 0.895 127 E CA -0.455 55.997 56.400 0.086 0.000 0.767 127 E CB 2.490 32.231 29.700 0.069 0.000 1.248 127 E HN 1.131 nan 8.360 nan 0.000 0.440 128 G N 1.227 110.059 108.800 0.053 0.000 2.333 128 G HA2 0.079 4.039 3.960 -0.001 0.000 0.288 128 G HA3 0.079 4.039 3.960 -0.001 0.000 0.288 128 G C -1.824 173.097 174.900 0.036 0.000 1.286 128 G CA -0.879 44.247 45.100 0.043 0.000 0.865 128 G HN 0.404 nan 8.290 nan 0.000 0.506 129 D N 1.013 121.432 120.400 0.032 0.000 2.317 129 D HA 0.453 5.092 4.640 -0.001 0.000 0.234 129 D C 0.253 176.586 176.300 0.054 0.000 1.112 129 D CA -0.190 53.830 54.000 0.033 0.000 0.840 129 D CB 1.709 42.518 40.800 0.015 0.000 1.078 129 D HN 0.382 nan 8.370 nan 0.000 0.486 130 M N 3.373 123.006 119.600 0.056 0.000 2.227 130 M HA 0.084 4.564 4.480 -0.001 0.000 0.349 130 M C -1.098 175.273 176.300 0.118 0.000 1.443 130 M CA 0.086 55.423 55.300 0.062 0.000 1.110 130 M CB 0.045 32.670 32.600 0.041 0.000 1.773 130 M HN 0.296 nan 8.290 nan 0.000 0.463 131 H N 5.387 124.449 119.070 -0.012 0.000 3.092 131 H HA 0.401 4.957 4.556 -0.001 0.000 0.308 131 H C -0.735 174.585 175.328 -0.013 0.000 1.047 131 H CA -0.231 55.811 56.048 -0.011 0.000 1.466 131 H CB 0.178 29.933 29.762 -0.011 0.000 1.597 131 H HN 0.823 nan 8.280 nan 0.000 0.512 132 N N 4.040 122.565 118.700 -0.292 0.000 2.738 132 N HA -0.174 4.565 4.740 -0.001 0.000 0.249 132 N C 1.107 176.526 175.510 -0.151 0.000 1.047 132 N CA 1.661 54.544 53.050 -0.278 0.000 0.707 132 N CB -1.373 36.833 38.487 -0.469 0.000 0.937 132 N HN 1.187 nan 8.380 nan 0.000 0.545 133 G N -2.579 106.172 108.800 -0.082 0.000 2.205 133 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.261 133 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.261 133 G C 0.234 175.094 174.900 -0.068 0.000 0.980 133 G CA 0.890 45.958 45.100 -0.053 0.000 0.632 133 G HN 0.610 nan 8.290 nan 0.000 0.533 134 T N 0.535 115.043 114.554 -0.076 0.000 2.887 134 T HA 0.648 4.997 4.350 -0.001 0.000 0.288 134 T C 0.159 174.840 174.700 -0.032 0.000 1.021 134 T CA -0.458 61.586 62.100 -0.094 0.000 1.000 134 T CB 1.769 70.571 68.868 -0.111 0.000 1.034 134 T HN 0.280 nan 8.240 nan 0.000 0.467 135 I N 3.469 124.013 120.570 -0.043 0.000 2.304 135 I HA 0.354 4.523 4.170 -0.001 0.000 0.291 135 I C 0.367 176.488 176.117 0.006 0.000 1.018 135 I CA -0.744 60.556 61.300 0.001 0.000 1.260 135 I CB 0.889 38.893 38.000 0.006 0.000 1.390 135 I HN 0.343 nan 8.210 nan 0.000 0.475 136 V N 2.130 122.063 119.914 0.031 0.000 2.966 136 V HA 0.479 4.598 4.120 -0.001 0.000 0.317 136 V C 0.480 176.582 176.094 0.014 0.000 1.070 136 V CA -0.808 61.504 62.300 0.020 0.000 1.008 136 V CB 1.312 33.153 31.823 0.029 0.000 1.070 136 V HN 0.961 nan 8.190 nan 0.000 0.457 137 N N 0.308 119.011 118.700 0.006 0.000 2.727 137 N HA -0.162 4.578 4.740 -0.001 0.000 0.249 137 N C 0.321 175.848 175.510 0.028 0.000 1.048 137 N CA 0.336 53.392 53.050 0.011 0.000 0.714 137 N CB -0.715 37.775 38.487 0.006 0.000 0.959 137 N HN 1.306 nan 8.380 nan 0.000 0.544 138 A N 0.915 123.754 122.820 0.032 0.000 2.366 138 A HA 0.516 4.836 4.320 -0.001 0.000 0.249 138 A C 0.621 178.260 177.584 0.091 0.000 1.084 138 A CA 0.093 52.165 52.037 0.059 0.000 0.794 138 A CB 0.681 19.721 19.000 0.067 0.000 1.034 138 A HN 0.437 nan 8.150 nan 0.000 0.491 139 R N 1.167 121.742 120.500 0.125 0.000 2.532 139 R HA 0.629 4.969 4.340 -0.001 0.000 0.297 139 R C -1.837 174.581 176.300 0.196 0.000 0.984 139 R CA -0.392 55.818 56.100 0.183 0.000 0.884 139 R CB 0.915 31.294 30.300 0.132 0.000 1.182 139 R HN 0.709 nan 8.270 nan 0.000 0.442 140 L N 4.343 125.729 121.223 0.273 0.000 2.342 140 L HA 0.624 4.964 4.340 -0.001 0.000 0.271 140 L C -0.717 176.247 176.870 0.157 0.000 1.008 140 L CA -0.830 54.130 54.840 0.200 0.000 0.818 140 L CB 2.073 44.234 42.059 0.171 0.000 1.296 140 L HN 0.680 nan 8.230 nan 0.000 0.427 141 K N 1.792 122.294 120.400 0.171 0.000 2.508 141 K HA 0.628 4.948 4.320 -0.001 0.000 0.260 141 K C -3.022 173.698 176.600 0.200 0.000 0.949 141 K CA -1.906 54.481 56.287 0.167 0.000 0.834 141 K CB 2.374 34.981 32.500 0.178 0.000 1.365 141 K HN 0.111 nan 8.250 nan 0.000 0.437 142 P HA -0.060 nan 4.420 nan 0.000 0.268 142 P C -1.089 176.330 177.300 0.198 0.000 1.204 142 P CA 0.241 63.431 63.100 0.150 0.000 0.768 142 P CB 0.426 32.210 31.700 0.140 0.000 0.842 143 H N 5.527 124.594 119.070 -0.006 0.000 2.476 143 H HA 0.209 4.765 4.556 -0.001 0.000 0.328 143 H C -1.378 173.962 175.328 0.020 0.000 1.073 143 H CA -2.084 53.890 56.048 -0.123 0.000 1.229 143 H CB 1.689 31.180 29.762 -0.451 0.000 1.432 143 H HN 0.271 nan 8.280 nan 0.000 0.477 144 P HA -0.102 nan 4.420 nan 0.000 0.220 144 P C -0.147 177.283 177.300 0.216 0.000 1.148 144 P CA 1.323 64.491 63.100 0.114 0.000 0.803 144 P CB 0.649 32.381 31.700 0.054 0.000 0.782 145 D N -5.295 115.363 120.400 0.429 0.000 2.489 145 D HA -0.031 4.609 4.640 -0.001 0.000 0.343 145 D C 0.050 176.464 176.300 0.190 0.000 1.295 145 D CA -0.631 53.536 54.000 0.278 0.000 0.908 145 D CB -1.284 39.638 40.800 0.203 0.000 1.382 145 D HN 0.014 nan 8.370 nan 0.000 0.468 146 Y N 2.350 122.624 120.300 -0.044 0.000 2.610 146 Y HA 0.354 4.904 4.550 -0.001 0.000 0.332 146 Y C -0.090 175.780 175.900 -0.050 0.000 1.201 146 Y CA 0.184 58.070 58.100 -0.357 0.000 1.465 146 Y CB 0.486 38.311 38.460 -1.058 0.000 1.283 146 Y HN -0.179 nan 8.280 nan 0.000 0.563 147 R N 7.299 127.255 120.500 -0.906 0.000 2.628 147 R HA 0.400 4.739 4.340 -0.001 0.000 0.288 147 R C -2.912 172.805 176.300 -0.971 0.000 0.980 147 R CA -2.083 53.640 56.100 -0.627 0.000 0.891 147 R CB 1.724 31.816 30.300 -0.348 0.000 1.188 147 R HN 0.526 nan 8.270 nan 0.000 0.450 148 P HA 0.370 nan 4.420 nan 0.000 0.284 148 P C -2.527 174.690 177.300 -0.139 0.000 1.258 148 P CA -1.547 61.426 63.100 -0.212 0.000 0.824 148 P CB 0.905 32.635 31.700 0.051 0.000 1.038 149 P HA 0.440 nan 4.420 nan 0.000 0.288 149 P C -0.898 176.427 177.300 0.042 0.000 1.267 149 P CA -0.213 62.881 63.100 -0.010 0.000 0.815 149 P CB 1.210 32.915 31.700 0.007 0.000 0.989 150 L N 2.083 123.342 121.223 0.061 0.000 2.371 150 L HA 0.530 4.870 4.340 -0.001 0.000 0.262 150 L C 0.212 177.131 176.870 0.081 0.000 1.006 150 L CA -0.938 53.986 54.840 0.140 0.000 0.818 150 L CB 2.520 44.743 42.059 0.274 0.000 1.354 150 L HN 0.227 nan 8.230 nan 0.000 0.415 151 K N 1.221 121.706 120.400 0.142 0.000 2.221 151 K HA 0.574 4.893 4.320 -0.001 0.000 0.258 151 K C -1.554 175.230 176.600 0.307 0.000 0.944 151 K CA -0.655 55.676 56.287 0.074 0.000 0.823 151 K CB 1.950 34.490 32.500 0.067 0.000 1.113 151 K HN 0.251 nan 8.250 nan 0.000 0.431 152 W N 1.178 122.492 121.300 0.024 0.000 2.762 152 W HA 0.649 5.308 4.660 -0.001 0.000 0.355 152 W C -0.673 175.847 176.519 0.002 0.000 1.124 152 W CA -1.103 56.237 57.345 -0.008 0.000 1.141 152 W CB 0.807 30.214 29.460 -0.087 0.000 1.432 152 W HN 0.187 nan 8.180 nan 0.000 0.586 153 V N 1.641 121.696 119.914 0.236 0.000 2.612 153 V HA 0.448 4.568 4.120 -0.001 0.000 0.301 153 V C -0.864 175.223 176.094 -0.011 0.000 1.059 153 V CA -0.497 61.856 62.300 0.089 0.000 0.886 153 V CB 1.676 33.514 31.823 0.025 0.000 1.007 153 V HN 0.522 nan 8.190 nan 0.000 0.426 154 S N 7.317 122.977 115.700 -0.066 0.000 2.422 154 S HA 0.624 5.093 4.470 -0.001 0.000 0.298 154 S C -0.529 173.991 174.600 -0.133 0.000 1.118 154 S CA -0.449 57.681 58.200 -0.116 0.000 1.083 154 S CB 0.488 63.616 63.200 -0.120 0.000 0.971 154 S HN 0.778 nan 8.310 nan 0.000 0.478 155 I N 3.948 124.465 120.570 -0.089 0.000 2.562 155 I HA 0.649 4.819 4.170 -0.001 0.000 0.301 155 I C -1.149 174.950 176.117 -0.029 0.000 1.003 155 I CA -0.471 60.783 61.300 -0.077 0.000 1.127 155 I CB 1.796 39.784 38.000 -0.019 0.000 1.304 155 I HN 0.645 nan 8.210 nan 0.000 0.446 156 D N 6.547 126.924 120.400 -0.038 0.000 2.837 156 D HA 0.474 5.114 4.640 -0.001 0.000 0.220 156 D C -1.360 174.959 176.300 0.032 0.000 1.236 156 D CA -0.437 53.572 54.000 0.015 0.000 0.838 156 D CB 1.853 42.624 40.800 -0.049 0.000 1.647 156 D HN 0.549 nan 8.370 nan 0.000 0.486 157 I N -0.790 119.854 120.570 0.122 0.000 2.740 157 I HA 0.766 4.936 4.170 -0.001 0.000 0.303 157 I C -1.024 175.216 176.117 0.206 0.000 1.044 157 I CA -0.675 60.691 61.300 0.110 0.000 1.064 157 I CB 2.263 40.276 38.000 0.022 0.000 1.249 157 I HN 0.081 nan 8.210 nan 0.000 0.433 158 E N 3.467 123.776 120.200 0.182 0.000 2.222 158 E HA 0.562 4.911 4.350 -0.001 0.000 0.267 158 E C -0.725 175.972 176.600 0.162 0.000 0.884 158 E CA -0.380 56.169 56.400 0.248 0.000 0.764 158 E CB 2.416 32.304 29.700 0.314 0.000 1.169 158 E HN 0.890 nan 8.360 nan 0.000 0.413 159 T N -1.890 112.707 114.554 0.071 0.000 2.716 159 T HA 0.586 4.936 4.350 -0.001 0.000 0.286 159 T C 0.442 174.831 174.700 -0.518 0.000 1.052 159 T CA -0.698 61.233 62.100 -0.283 0.000 1.024 159 T CB 1.110 69.920 68.868 -0.097 0.000 1.349 159 T HN 0.366 nan 8.240 nan 0.000 0.525 160 T N -1.115 113.029 114.554 -0.682 0.000 2.770 160 T HA 0.363 4.712 4.350 -0.001 0.000 0.281 160 T C 1.379 175.925 174.700 -0.257 0.000 0.981 160 T CA -0.805 60.998 62.100 -0.495 0.000 0.955 160 T CB 0.518 69.144 68.868 -0.405 0.000 1.060 160 T HN 0.714 nan 8.240 nan 0.000 0.531 161 R N -0.122 120.189 120.500 -0.316 0.000 2.096 161 R HA -0.079 4.260 4.340 -0.001 0.000 0.235 161 R C 1.753 177.887 176.300 -0.276 0.000 1.127 161 R CA 1.709 57.610 56.100 -0.333 0.000 0.968 161 R CB -0.684 29.300 30.300 -0.526 0.000 0.861 161 R HN 0.781 nan 8.270 nan 0.000 0.440 162 H N -0.628 118.421 119.070 -0.035 0.000 2.555 162 H HA 0.234 4.790 4.556 -0.001 0.000 0.283 162 H C 0.941 176.243 175.328 -0.044 0.000 1.037 162 H CA 0.064 56.090 56.048 -0.037 0.000 1.169 162 H CB 0.565 30.299 29.762 -0.045 0.000 1.375 162 H HN 0.501 nan 8.280 nan 0.000 0.582 163 G N 1.053 109.861 108.800 0.014 0.000 2.159 163 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.256 163 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.256 163 G C -0.080 174.845 174.900 0.043 0.000 0.977 163 G CA -0.168 44.946 45.100 0.023 0.000 0.652 163 G HN 0.504 nan 8.290 nan 0.000 0.531 164 E N -0.058 120.117 120.200 -0.041 0.000 2.324 164 E HA 0.425 4.774 4.350 -0.001 0.000 0.271 164 E C 0.477 176.988 176.600 -0.149 0.000 1.028 164 E CA -0.758 55.646 56.400 0.005 0.000 0.890 164 E CB 1.063 30.718 29.700 -0.075 0.000 1.004 164 E HN 0.174 nan 8.360 nan 0.000 0.431 165 L N 4.196 125.442 121.223 0.038 0.000 2.499 165 L HA -0.090 4.250 4.340 -0.001 0.000 0.273 165 L C -0.181 176.608 176.870 -0.136 0.000 1.195 165 L CA 0.966 55.694 54.840 -0.187 0.000 0.882 165 L CB -0.038 41.795 42.059 -0.377 0.000 1.133 165 L HN 0.605 nan 8.230 nan 0.000 0.483 166 Y N 3.051 123.278 120.300 -0.120 0.000 2.472 166 Y HA 0.261 4.810 4.550 -0.001 0.000 0.288 166 Y C 0.897 176.823 175.900 0.043 0.000 1.154 166 Y CA -0.277 57.714 58.100 -0.181 0.000 1.238 166 Y CB 0.041 38.366 38.460 -0.226 0.000 1.287 166 Y HN 0.692 nan 8.280 nan 0.000 0.524 167 C N -0.726 118.712 119.300 0.229 0.000 3.311 167 C HA 0.761 5.220 4.460 -0.001 0.000 0.325 167 C C -0.843 174.207 174.990 0.100 0.000 1.352 167 C CA -1.605 57.519 59.018 0.177 0.000 1.308 167 C CB 1.021 28.877 27.740 0.194 0.000 1.619 167 C HN 0.120 nan 8.230 nan 0.000 0.469 168 I N 1.755 122.378 120.570 0.089 0.000 2.466 168 I HA 0.618 4.788 4.170 -0.001 0.000 0.289 168 I C 0.514 176.615 176.117 -0.028 0.000 1.026 168 I CA -0.237 61.088 61.300 0.041 0.000 1.078 168 I CB 1.927 39.974 38.000 0.077 0.000 1.249 168 I HN 1.060 nan 8.210 nan 0.000 0.429 169 G N 7.127 115.868 108.800 -0.098 0.000 2.372 169 G HA2 0.751 4.710 3.960 -0.001 0.000 0.323 169 G HA3 0.751 4.710 3.960 -0.001 0.000 0.323 169 G C -0.976 173.762 174.900 -0.271 0.000 1.152 169 G CA -0.424 44.554 45.100 -0.203 0.000 0.906 169 G HN 0.445 nan 8.290 nan 0.000 0.460 170 L N 2.042 123.029 121.223 -0.392 0.000 2.372 170 L HA 0.531 4.871 4.340 -0.001 0.000 0.274 170 L C -0.340 176.284 176.870 -0.411 0.000 0.988 170 L CA -0.690 53.823 54.840 -0.544 0.000 0.833 170 L CB 2.304 43.705 42.059 -1.096 0.000 1.236 170 L HN 0.455 nan 8.230 nan 0.000 0.410 171 E N 2.998 123.028 120.200 -0.284 0.000 2.224 171 E HA 0.732 5.081 4.350 -0.001 0.000 0.265 171 E C -0.555 176.007 176.600 -0.064 0.000 0.878 171 E CA -0.266 56.035 56.400 -0.164 0.000 0.759 171 E CB 2.458 32.063 29.700 -0.159 0.000 1.164 171 E HN 0.777 nan 8.360 nan 0.000 0.414 172 G N 1.428 110.229 108.800 0.002 0.000 2.359 172 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.303 172 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.303 172 G C -0.226 174.737 174.900 0.107 0.000 1.293 172 G CA -0.319 44.816 45.100 0.060 0.000 0.964 172 G HN 0.774 nan 8.290 nan 0.000 0.531 173 C N -0.244 119.108 119.300 0.085 0.000 4.274 173 C HA 0.153 4.612 4.460 -0.001 0.000 0.297 173 C C 2.263 177.287 174.990 0.057 0.000 1.446 173 C CA 2.023 61.088 59.018 0.079 0.000 2.016 173 C CB -1.770 26.035 27.740 0.108 0.000 1.273 173 C HN 3.030 nan 8.230 nan 0.000 0.782 174 G N -0.417 108.393 108.800 0.018 0.000 2.143 174 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.248 174 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.248 174 G C -0.306 174.595 174.900 0.002 0.000 0.991 174 G CA 1.571 46.679 45.100 0.012 0.000 0.689 174 G HN 1.663 nan 8.290 nan 0.000 0.522 175 Q N -1.960 117.824 119.800 -0.026 0.000 2.648 175 Q HA 0.861 5.200 4.340 -0.001 0.000 0.300 175 Q C -0.575 175.398 176.000 -0.046 0.000 0.954 175 Q CA -1.107 54.665 55.803 -0.051 0.000 0.757 175 Q CB 0.957 29.595 28.738 -0.168 0.000 1.482 175 Q HN 0.307 nan 8.270 nan 0.000 0.437 176 R N 0.280 120.753 120.500 -0.045 0.000 2.533 176 R HA 0.828 5.167 4.340 -0.001 0.000 0.288 176 R C -1.301 174.959 176.300 -0.066 0.000 1.039 176 R CA -0.476 55.577 56.100 -0.079 0.000 0.909 176 R CB 2.080 32.352 30.300 -0.047 0.000 1.195 176 R HN 0.786 nan 8.270 nan 0.000 0.438 177 I N 1.681 122.143 120.570 -0.179 0.000 2.842 177 I HA 0.446 4.616 4.170 -0.001 0.000 0.297 177 I C -1.605 174.310 176.117 -0.338 0.000 1.380 177 I CA -1.012 60.160 61.300 -0.213 0.000 1.018 177 I CB 2.434 40.251 38.000 -0.306 0.000 1.311 177 I HN 0.343 nan 8.210 nan 0.000 0.439 178 V N 6.621 126.374 119.914 -0.269 0.000 2.483 178 V HA 0.408 4.528 4.120 -0.001 0.000 0.297 178 V C -1.315 174.610 176.094 -0.283 0.000 1.027 178 V CA -0.463 61.699 62.300 -0.230 0.000 0.855 178 V CB 1.623 33.413 31.823 -0.055 0.000 0.995 178 V HN 0.473 nan 8.190 nan 0.000 0.424 179 Y N 5.126 125.408 120.300 -0.030 0.000 2.367 179 Y HA 0.670 5.220 4.550 -0.001 0.000 0.342 179 Y C 0.201 176.110 175.900 0.014 0.000 0.979 179 Y CA -0.539 57.557 58.100 -0.006 0.000 1.161 179 Y CB 1.627 40.095 38.460 0.013 0.000 1.155 179 Y HN 0.650 nan 8.280 nan 0.000 0.503 180 M N 4.809 124.487 119.600 0.130 0.000 2.321 180 M HA 0.460 4.939 4.480 -0.001 0.000 0.315 180 M C -1.746 174.727 176.300 0.288 0.000 1.052 180 M CA -1.074 54.323 55.300 0.162 0.000 0.936 180 M CB 1.138 33.733 32.600 -0.008 0.000 1.639 180 M HN 0.574 nan 8.290 nan 0.000 0.433 181 L N 5.078 126.537 121.223 0.392 0.000 2.513 181 L HA 0.557 4.897 4.340 -0.001 0.000 0.272 181 L C 0.389 177.541 176.870 0.469 0.000 1.187 181 L CA 0.816 55.904 54.840 0.413 0.000 0.895 181 L CB 0.092 42.421 42.059 0.450 0.000 1.147 181 L HN 0.851 nan 8.230 nan 0.000 0.483 182 G N 5.274 114.286 108.800 0.354 0.000 2.535 182 G HA2 0.494 4.454 3.960 -0.001 0.000 0.282 182 G HA3 0.494 4.454 3.960 -0.001 0.000 0.282 182 G C -2.548 172.407 174.900 0.092 0.000 1.350 182 G CA -0.778 44.451 45.100 0.214 0.000 1.039 182 G HN 0.679 nan 8.290 nan 0.000 0.509 183 P HA 0.180 nan 4.420 nan 0.000 0.277 183 P C -0.101 176.923 177.300 -0.460 0.000 1.271 183 P CA -0.451 62.527 63.100 -0.204 0.000 0.795 183 P CB 0.827 32.437 31.700 -0.150 0.000 1.101 184 E N 1.306 121.020 120.200 -0.811 0.000 2.422 184 E HA 0.087 4.437 4.350 -0.001 0.000 0.260 184 E C -0.442 175.897 176.600 -0.436 0.000 1.108 184 E CA -0.181 55.575 56.400 -1.073 0.000 0.943 184 E CB 0.116 29.240 29.700 -0.960 0.000 0.961 184 E HN 0.533 nan 8.360 nan 0.000 0.443 185 N N 0.562 119.105 118.700 -0.262 0.000 2.961 185 N HA 0.417 5.157 4.740 -0.001 0.000 0.245 185 N C -0.057 175.411 175.510 -0.071 0.000 1.404 185 N CA 0.134 53.092 53.050 -0.155 0.000 0.880 185 N CB 0.992 39.374 38.487 -0.175 0.000 1.461 185 N HN 0.874 nan 8.380 nan 0.000 0.510 186 G N 0.372 109.136 108.800 -0.060 0.000 2.598 186 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.244 186 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.244 186 G C -1.428 173.460 174.900 -0.019 0.000 1.302 186 G CA 0.333 45.414 45.100 -0.032 0.000 0.903 186 G HN 1.047 nan 8.290 nan 0.000 0.575 187 D N -0.047 120.347 120.400 -0.010 0.000 2.469 187 D HA 0.683 5.323 4.640 -0.001 0.000 0.251 187 D C 0.775 177.065 176.300 -0.016 0.000 1.173 187 D CA 0.522 54.514 54.000 -0.013 0.000 0.882 187 D CB 0.843 41.632 40.800 -0.019 0.000 1.129 187 D HN 1.014 nan 8.370 nan 0.000 0.549 188 A N 2.675 125.488 122.820 -0.011 0.000 2.302 188 A HA 0.064 4.384 4.320 -0.001 0.000 0.219 188 A C 1.877 179.410 177.584 -0.085 0.000 1.243 188 A CA 0.670 52.677 52.037 -0.050 0.000 0.856 188 A CB -0.363 18.633 19.000 -0.008 0.000 0.893 188 A HN 0.504 nan 8.150 nan 0.000 0.491 189 S N 0.602 116.268 115.700 -0.058 0.000 2.402 189 S HA -0.174 4.295 4.470 -0.001 0.000 0.229 189 S C 2.058 176.614 174.600 -0.072 0.000 1.021 189 S CA 1.650 59.815 58.200 -0.058 0.000 0.974 189 S CB -0.781 62.396 63.200 -0.037 0.000 0.800 189 S HN 0.823 nan 8.310 nan 0.000 0.484 190 S N 2.436 118.093 115.700 -0.071 0.000 2.402 190 S HA 0.138 4.607 4.470 -0.001 0.000 0.229 190 S C 0.917 175.456 174.600 -0.102 0.000 1.021 190 S CA 0.054 58.215 58.200 -0.066 0.000 0.974 190 S CB -1.156 62.020 63.200 -0.040 0.000 0.800 190 S HN 0.573 nan 8.310 nan 0.000 0.484 191 L N 3.317 124.421 121.223 -0.197 0.000 2.578 191 L HA 0.038 4.378 4.340 -0.001 0.000 0.279 191 L C 0.971 177.674 176.870 -0.279 0.000 1.227 191 L CA 0.134 54.748 54.840 -0.376 0.000 0.900 191 L CB -0.052 41.542 42.059 -0.775 0.000 1.144 191 L HN 0.366 nan 8.230 nan 0.000 0.496 192 D N 1.949 122.263 120.400 -0.143 0.000 2.342 192 D HA 0.104 4.743 4.640 -0.001 0.000 0.221 192 D C -0.175 176.168 176.300 0.073 0.000 1.101 192 D CA -0.159 53.837 54.000 -0.006 0.000 0.837 192 D CB -0.016 40.829 40.800 0.075 0.000 0.938 192 D HN 0.289 nan 8.370 nan 0.000 0.508 193 F N -1.732 118.187 119.950 -0.050 0.000 2.664 193 F HA 0.670 5.197 4.527 -0.001 0.000 0.317 193 F C -0.541 175.211 175.800 -0.079 0.000 1.108 193 F CA -1.913 56.046 58.000 -0.068 0.000 0.957 193 F CB 0.902 39.852 39.000 -0.084 0.000 1.365 193 F HN -0.278 nan 8.300 nan 0.000 0.475 194 E N 1.690 121.952 120.200 0.103 0.000 2.217 194 E HA 0.401 4.751 4.350 -0.001 0.000 0.279 194 E C -1.583 175.016 176.600 -0.002 0.000 1.068 194 E CA -0.214 56.173 56.400 -0.022 0.000 0.882 194 E CB 0.904 30.600 29.700 -0.006 0.000 1.039 194 E HN 0.727 nan 8.360 nan 0.000 0.418 195 L N 4.447 125.572 121.223 -0.163 0.000 2.298 195 L HA 0.476 4.816 4.340 -0.001 0.000 0.284 195 L C -1.044 175.687 176.870 -0.230 0.000 1.013 195 L CA -0.266 54.464 54.840 -0.184 0.000 0.824 195 L CB 1.471 43.357 42.059 -0.287 0.000 1.221 195 L HN 0.621 nan 8.230 nan 0.000 0.418 196 E N 3.897 123.966 120.200 -0.218 0.000 2.199 196 E HA 0.314 4.664 4.350 -0.001 0.000 0.265 196 E C -1.594 174.975 176.600 -0.052 0.000 0.882 196 E CA -0.711 55.647 56.400 -0.070 0.000 0.759 196 E CB 0.971 30.718 29.700 0.079 0.000 1.148 196 E HN 0.591 nan 8.360 nan 0.000 0.412 197 Y N 2.282 122.652 120.300 0.117 0.000 2.299 197 Y HA 0.289 4.839 4.550 -0.001 0.000 0.326 197 Y C 0.348 176.326 175.900 0.132 0.000 1.164 197 Y CA -0.432 57.739 58.100 0.117 0.000 1.234 197 Y CB 1.353 39.852 38.460 0.065 0.000 1.219 197 Y HN 0.288 nan 8.280 nan 0.000 0.497 198 V N -0.282 119.806 119.914 0.290 0.000 2.815 198 V HA 0.786 4.906 4.120 -0.001 0.000 0.314 198 V C 0.553 176.741 176.094 0.156 0.000 1.064 198 V CA -0.613 61.799 62.300 0.188 0.000 0.952 198 V CB 1.348 33.252 31.823 0.134 0.000 1.020 198 V HN 0.877 nan 8.190 nan 0.000 0.439 199 A N 2.750 125.629 122.820 0.099 0.000 1.902 199 A HA 0.205 4.525 4.320 -0.001 0.000 0.217 199 A C 1.321 178.940 177.584 0.058 0.000 1.181 199 A CA 1.725 53.804 52.037 0.070 0.000 0.623 199 A CB -0.591 18.434 19.000 0.042 0.000 0.818 199 A HN 1.714 nan 8.150 nan 0.000 0.443 200 S N -3.449 112.271 115.700 0.032 0.000 2.651 200 S HA 0.590 5.059 4.470 -0.001 0.000 0.279 200 S C 0.342 174.922 174.600 -0.034 0.000 1.148 200 S CA -0.600 57.596 58.200 -0.007 0.000 0.837 200 S CB 1.211 64.369 63.200 -0.071 0.000 1.138 200 S HN 0.283 nan 8.310 nan 0.000 0.478 201 R N 0.340 120.791 120.500 -0.082 0.000 2.096 201 R HA 0.039 4.379 4.340 -0.001 0.000 0.235 201 R C -1.021 175.154 176.300 -0.208 0.000 1.127 201 R CA 1.530 57.583 56.100 -0.078 0.000 0.968 201 R CB -1.509 28.803 30.300 0.020 0.000 0.861 201 R HN 0.524 nan 8.270 nan 0.000 0.440 202 P HA -0.170 nan 4.420 nan 0.000 0.218 202 P C 0.996 178.207 177.300 -0.147 0.000 1.148 202 P CA 1.214 64.078 63.100 -0.393 0.000 0.822 202 P CB 0.045 31.472 31.700 -0.455 0.000 0.784 203 Q N -0.702 119.029 119.800 -0.116 0.000 2.224 203 Q HA -0.102 4.237 4.340 -0.001 0.000 0.203 203 Q C 1.963 177.917 176.000 -0.075 0.000 0.970 203 Q CA 0.865 56.627 55.803 -0.067 0.000 0.865 203 Q CB -0.563 28.156 28.738 -0.031 0.000 0.922 203 Q HN 0.213 nan 8.270 nan 0.000 0.445 204 L N -0.138 121.053 121.223 -0.053 0.000 2.083 204 L HA -0.230 4.109 4.340 -0.001 0.000 0.209 204 L C 2.029 178.848 176.870 -0.085 0.000 1.083 204 L CA 0.649 55.459 54.840 -0.051 0.000 0.752 204 L CB -0.244 41.816 42.059 0.001 0.000 0.899 204 L HN 0.299 nan 8.230 nan 0.000 0.433 205 L N -0.494 120.700 121.223 -0.048 0.000 2.109 205 L HA -0.173 4.166 4.340 -0.001 0.000 0.207 205 L C 2.440 179.288 176.870 -0.036 0.000 1.086 205 L CA 1.602 56.429 54.840 -0.021 0.000 0.760 205 L CB -0.529 41.553 42.059 0.038 0.000 0.910 205 L HN 0.197 nan 8.230 nan 0.000 0.437 206 E N -0.788 119.381 120.200 -0.050 0.000 2.077 206 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 206 E C 1.996 178.554 176.600 -0.071 0.000 0.989 206 E CA 0.785 57.160 56.400 -0.042 0.000 0.800 206 E CB 0.007 29.684 29.700 -0.039 0.000 0.746 206 E HN 0.264 nan 8.360 nan 0.000 0.452 207 K N 0.613 120.899 120.400 -0.190 0.000 2.148 207 K HA -0.107 4.213 4.320 -0.001 0.000 0.204 207 K C 2.160 178.625 176.600 -0.225 0.000 1.050 207 K CA 0.463 56.530 56.287 -0.368 0.000 0.942 207 K CB -0.324 31.587 32.500 -0.981 0.000 0.724 207 K HN 0.110 nan 8.250 nan 0.000 0.446 208 L N 2.112 123.264 121.223 -0.119 0.000 2.056 208 L HA -0.128 4.212 4.340 -0.001 0.000 0.207 208 L C 1.572 178.620 176.870 0.297 0.000 1.078 208 L CA 1.701 56.624 54.840 0.138 0.000 0.749 208 L CB -0.631 41.475 42.059 0.078 0.000 0.901 208 L HN 0.098 nan 8.230 nan 0.000 0.433 209 N N 0.135 118.918 118.700 0.139 0.000 2.120 209 N HA -0.133 4.606 4.740 -0.001 0.000 0.188 209 N C 1.813 177.451 175.510 0.213 0.000 1.024 209 N CA 1.564 54.700 53.050 0.143 0.000 0.852 209 N CB -0.450 38.069 38.487 0.054 0.000 1.003 209 N HN 0.526 nan 8.380 nan 0.000 0.424 210 A N -0.208 122.716 122.820 0.173 0.000 1.898 210 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 210 A C 2.191 179.931 177.584 0.260 0.000 1.181 210 A CA 1.008 53.143 52.037 0.164 0.000 0.620 210 A CB -1.093 17.973 19.000 0.109 0.000 0.819 210 A HN 0.492 nan 8.150 nan 0.000 0.442 211 W N -0.331 121.100 121.300 0.219 0.000 2.335 211 W HA -0.216 4.444 4.660 -0.001 0.000 0.311 211 W C 1.808 178.493 176.519 0.278 0.000 1.213 211 W CA 2.075 59.618 57.345 0.329 0.000 1.274 211 W CB -0.442 29.229 29.460 0.352 0.000 1.148 211 W HN 0.313 nan 8.180 nan 0.000 0.498 212 F N 0.381 120.622 119.950 0.484 0.000 2.161 212 F HA -0.227 4.300 4.527 -0.001 0.000 0.300 212 F C 2.550 178.377 175.800 0.046 0.000 1.089 212 F CA 2.078 60.258 58.000 0.300 0.000 1.282 212 F CB -1.067 38.091 39.000 0.264 0.000 1.010 212 F HN -0.021 nan 8.300 nan 0.000 0.485 213 A N -0.035 122.899 122.820 0.190 0.000 1.902 213 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 213 A C 2.003 179.530 177.584 -0.096 0.000 1.181 213 A CA 2.051 54.117 52.037 0.049 0.000 0.623 213 A CB -0.628 18.399 19.000 0.045 0.000 0.818 213 A HN 0.345 nan 8.150 nan 0.000 0.443 214 N N -1.676 116.895 118.700 -0.214 0.000 2.251 214 N HA -0.015 4.725 4.740 -0.001 0.000 0.181 214 N C 1.319 176.382 175.510 -0.745 0.000 1.019 214 N CA 1.269 54.040 53.050 -0.465 0.000 0.862 214 N CB -0.405 37.737 38.487 -0.575 0.000 0.992 214 N HN 0.607 nan 8.380 nan 0.000 0.429 215 Y N 0.625 120.548 120.300 -0.629 0.000 2.490 215 Y HA 0.069 4.618 4.550 -0.001 0.000 0.285 215 Y C 0.205 175.835 175.900 -0.450 0.000 1.117 215 Y CA -0.024 57.637 58.100 -0.731 0.000 1.262 215 Y CB 0.018 37.554 38.460 -1.540 0.000 1.043 215 Y HN -0.059 nan 8.280 nan 0.000 0.553 216 D N 0.639 120.888 120.400 -0.253 0.000 2.803 216 D HA -0.144 4.496 4.640 -0.001 0.000 0.233 216 D C -2.651 173.641 176.300 -0.014 0.000 1.182 216 D CA -0.010 53.943 54.000 -0.078 0.000 0.726 216 D CB -0.181 40.588 40.800 -0.051 0.000 0.987 216 D HN 0.166 nan 8.370 nan 0.000 0.412 217 P HA 0.134 nan 4.420 nan 0.000 0.274 217 P C 0.338 177.726 177.300 0.145 0.000 1.231 217 P CA -0.244 62.911 63.100 0.093 0.000 0.790 217 P CB 0.901 32.671 31.700 0.117 0.000 0.951 218 D N 0.143 120.649 120.400 0.177 0.000 2.240 218 D HA 0.047 4.686 4.640 -0.001 0.000 0.206 218 D C 0.396 176.803 176.300 0.179 0.000 0.963 218 D CA 1.118 55.228 54.000 0.184 0.000 0.863 218 D CB 0.430 41.350 40.800 0.201 0.000 0.973 218 D HN 0.137 nan 8.370 nan 0.000 0.501 219 V N 1.574 121.608 119.914 0.199 0.000 2.656 219 V HA 0.387 4.507 4.120 -0.001 0.000 0.307 219 V C -0.164 175.983 176.094 0.088 0.000 1.051 219 V CA -0.756 61.605 62.300 0.102 0.000 0.893 219 V CB 2.786 34.589 31.823 -0.034 0.000 0.999 219 V HN -0.113 nan 8.190 nan 0.000 0.426 220 I N 5.717 126.318 120.570 0.051 0.000 2.362 220 I HA 0.568 4.737 4.170 -0.001 0.000 0.289 220 I C -0.330 175.748 176.117 -0.066 0.000 0.994 220 I CA -0.426 60.912 61.300 0.063 0.000 1.158 220 I CB 1.439 39.527 38.000 0.146 0.000 1.315 220 I HN 0.634 nan 8.210 nan 0.000 0.451 221 I N 2.803 123.278 120.570 -0.159 0.000 2.846 221 I HA 1.058 5.227 4.170 -0.001 0.000 0.307 221 I C -0.116 175.911 176.117 -0.151 0.000 1.053 221 I CA -0.419 60.707 61.300 -0.290 0.000 1.050 221 I CB 2.315 39.784 38.000 -0.885 0.000 1.239 221 I HN 0.605 nan 8.210 nan 0.000 0.439 222 G N 2.581 111.357 108.800 -0.039 0.000 2.488 222 G HA2 0.261 4.220 3.960 -0.001 0.000 0.301 222 G HA3 0.261 4.220 3.960 -0.001 0.000 0.301 222 G C -2.686 172.375 174.900 0.268 0.000 1.339 222 G CA -0.668 44.492 45.100 0.099 0.000 0.803 222 G HN 0.763 nan 8.290 nan 0.000 0.482 223 W N 1.642 122.963 121.300 0.036 0.000 2.318 223 W HA 0.398 5.058 4.660 -0.001 0.000 0.315 223 W C 0.561 177.126 176.519 0.077 0.000 1.033 223 W CA -0.262 57.114 57.345 0.052 0.000 1.275 223 W CB 1.275 30.738 29.460 0.006 0.000 1.250 223 W HN 0.775 nan 8.180 nan 0.000 0.421 224 N N 3.617 122.266 118.700 -0.085 0.000 2.740 224 N HA -0.231 4.509 4.740 -0.001 0.000 0.248 224 N C 0.511 176.117 175.510 0.160 0.000 1.062 224 N CA 1.006 54.062 53.050 0.011 0.000 0.704 224 N CB -1.050 37.465 38.487 0.047 0.000 0.968 224 N HN 0.296 nan 8.380 nan 0.000 0.547 225 V N -0.667 119.323 119.914 0.127 0.000 2.407 225 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 225 V C 1.879 178.067 176.094 0.157 0.000 1.055 225 V CA 2.226 64.616 62.300 0.150 0.000 1.049 225 V CB -0.000 31.880 31.823 0.095 0.000 0.662 225 V HN 0.394 nan 8.190 nan 0.000 0.455 226 V N -0.877 119.132 119.914 0.158 0.000 2.331 226 V HA -0.126 3.994 4.120 -0.001 0.000 0.242 226 V C 2.460 178.742 176.094 0.314 0.000 1.034 226 V CA 1.485 63.923 62.300 0.230 0.000 1.027 226 V CB -0.686 31.277 31.823 0.233 0.000 0.667 226 V HN 0.427 nan 8.190 nan 0.000 0.457 227 Q N -1.073 118.880 119.800 0.255 0.000 2.224 227 Q HA -0.086 4.254 4.340 -0.001 0.000 0.203 227 Q C 1.794 177.924 176.000 0.216 0.000 0.970 227 Q CA 1.668 57.603 55.803 0.221 0.000 0.865 227 Q CB -0.240 28.601 28.738 0.173 0.000 0.922 227 Q HN 0.686 nan 8.270 nan 0.000 0.445 228 F N 0.718 120.725 119.950 0.095 0.000 2.414 228 F HA 0.041 4.567 4.527 -0.001 0.000 0.255 228 F C 1.260 177.107 175.800 0.079 0.000 1.032 228 F CA 0.668 58.711 58.000 0.072 0.000 1.049 228 F CB -0.323 38.717 39.000 0.066 0.000 1.140 228 F HN -0.066 nan 8.300 nan 0.000 0.643 229 D N 1.384 121.742 120.400 -0.070 0.000 2.137 229 D HA -0.251 4.388 4.640 -0.001 0.000 0.189 229 D C 2.307 178.547 176.300 -0.100 0.000 0.998 229 D CA 2.513 56.412 54.000 -0.168 0.000 0.839 229 D CB -0.664 40.190 40.800 0.088 0.000 0.962 229 D HN 0.284 nan 8.370 nan 0.000 0.446 230 L N -0.132 121.132 121.223 0.067 0.000 2.083 230 L HA -0.107 4.233 4.340 -0.001 0.000 0.209 230 L C 2.565 179.612 176.870 0.294 0.000 1.083 230 L CA 0.880 55.828 54.840 0.180 0.000 0.752 230 L CB -0.321 41.866 42.059 0.212 0.000 0.899 230 L HN 0.017 nan 8.230 nan 0.000 0.433 231 R N -0.170 120.450 120.500 0.200 0.000 2.066 231 R HA -0.145 4.194 4.340 -0.001 0.000 0.232 231 R C 2.417 178.617 176.300 -0.167 0.000 1.131 231 R CA 1.244 57.293 56.100 -0.085 0.000 0.955 231 R CB 0.002 30.224 30.300 -0.130 0.000 0.851 231 R HN 0.172 nan 8.270 nan 0.000 0.432 232 M N 0.566 120.044 119.600 -0.204 0.000 2.159 232 M HA -0.155 4.325 4.480 -0.001 0.000 0.263 232 M C 2.253 178.509 176.300 -0.073 0.000 1.063 232 M CA 1.441 56.618 55.300 -0.204 0.000 1.110 232 M CB -0.750 31.587 32.600 -0.437 0.000 1.374 232 M HN 0.250 nan 8.290 nan 0.000 0.411 233 L N -0.490 120.680 121.223 -0.087 0.000 2.093 233 L HA -0.236 4.103 4.340 -0.001 0.000 0.208 233 L C 2.639 179.529 176.870 0.032 0.000 1.085 233 L CA 1.113 55.932 54.840 -0.035 0.000 0.755 233 L CB -0.626 41.416 42.059 -0.027 0.000 0.904 233 L HN 0.274 nan 8.230 nan 0.000 0.435 234 Q N 0.886 120.704 119.800 0.030 0.000 2.084 234 Q HA -0.254 4.086 4.340 -0.001 0.000 0.202 234 Q C 2.038 177.976 176.000 -0.103 0.000 0.978 234 Q CA 1.883 57.683 55.803 -0.006 0.000 0.844 234 Q CB -0.092 28.584 28.738 -0.103 0.000 0.898 234 Q HN 0.203 nan 8.270 nan 0.000 0.426 235 K N -0.984 119.334 120.400 -0.137 0.000 2.032 235 K HA -0.193 4.126 4.320 -0.001 0.000 0.209 235 K C 1.799 178.289 176.600 -0.184 0.000 1.048 235 K CA 1.935 58.113 56.287 -0.181 0.000 0.927 235 K CB -0.459 31.937 32.500 -0.173 0.000 0.712 235 K HN 0.404 nan 8.250 nan 0.000 0.441 236 H N -0.585 118.377 119.070 -0.180 0.000 2.389 236 H HA 0.104 4.660 4.556 -0.001 0.000 0.299 236 H C 1.756 176.997 175.328 -0.144 0.000 1.081 236 H CA 1.581 57.514 56.048 -0.191 0.000 1.345 236 H CB -0.308 29.487 29.762 0.054 0.000 1.393 236 H HN 0.381 nan 8.280 nan 0.000 0.520 237 A N 0.926 123.795 122.820 0.083 0.000 1.877 237 A HA -0.225 4.095 4.320 -0.001 0.000 0.216 237 A C 2.147 179.718 177.584 -0.021 0.000 1.186 237 A CA 1.906 53.986 52.037 0.070 0.000 0.620 237 A CB -0.446 18.584 19.000 0.051 0.000 0.822 237 A HN 0.506 nan 8.150 nan 0.000 0.443 238 E N -0.871 119.271 120.200 -0.096 0.000 2.058 238 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 238 E C 2.330 178.829 176.600 -0.167 0.000 0.997 238 E CA 1.416 57.740 56.400 -0.127 0.000 0.801 238 E CB -0.228 29.370 29.700 -0.170 0.000 0.746 238 E HN 0.620 nan 8.360 nan 0.000 0.450 239 R N 0.184 120.506 120.500 -0.297 0.000 2.091 239 R HA -0.174 4.165 4.340 -0.001 0.000 0.238 239 R C 1.417 177.501 176.300 -0.359 0.000 1.136 239 R CA 1.451 57.300 56.100 -0.419 0.000 0.959 239 R CB -0.130 29.751 30.300 -0.699 0.000 0.856 239 R HN 0.218 nan 8.270 nan 0.000 0.437 240 Y N 0.493 120.766 120.300 -0.045 0.000 2.490 240 Y HA 0.245 4.795 4.550 -0.001 0.000 0.281 240 Y C 0.246 176.134 175.900 -0.020 0.000 1.174 240 Y CA 0.036 58.122 58.100 -0.023 0.000 1.295 240 Y CB 0.023 38.485 38.460 0.002 0.000 1.062 240 Y HN 0.057 nan 8.280 nan 0.000 0.522 241 R N -0.556 119.977 120.500 0.054 0.000 3.416 241 R HA -0.202 4.138 4.340 -0.001 0.000 0.263 241 R C -1.062 175.268 176.300 0.050 0.000 1.053 241 R CA 0.180 56.297 56.100 0.027 0.000 0.705 241 R CB -2.147 28.165 30.300 0.020 0.000 1.124 241 R HN 0.101 nan 8.270 nan 0.000 0.444 242 L N 0.639 121.906 121.223 0.073 0.000 2.333 242 L HA 0.510 4.849 4.340 -0.001 0.000 0.280 242 L C -2.235 174.661 176.870 0.044 0.000 1.004 242 L CA -2.334 52.547 54.840 0.068 0.000 0.820 242 L CB 1.558 43.684 42.059 0.112 0.000 1.247 242 L HN -0.191 nan 8.230 nan 0.000 0.416 243 P HA 0.125 nan 4.420 nan 0.000 0.271 243 P C -0.989 176.314 177.300 0.006 0.000 1.226 243 P CA -0.226 62.881 63.100 0.012 0.000 0.765 243 P CB 0.517 32.218 31.700 0.003 0.000 0.835 244 L N 5.477 126.702 121.223 0.002 0.000 2.315 244 L HA 0.231 4.570 4.340 -0.001 0.000 0.278 244 L C 0.482 177.311 176.870 -0.069 0.000 1.088 244 L CA -0.187 54.640 54.840 -0.023 0.000 0.899 244 L CB -0.573 41.491 42.059 0.007 0.000 1.277 244 L HN 0.256 nan 8.230 nan 0.000 0.431 245 R N 4.851 125.302 120.500 -0.082 0.000 2.565 245 R HA 0.283 4.623 4.340 -0.001 0.000 0.286 245 R C -0.339 175.846 176.300 -0.192 0.000 1.256 245 R CA -0.377 55.659 56.100 -0.106 0.000 1.238 245 R CB -0.031 30.236 30.300 -0.055 0.000 1.153 245 R HN 0.629 nan 8.270 nan 0.000 0.553 246 L N 1.178 122.219 121.223 -0.303 0.000 2.607 246 L HA 0.267 4.606 4.340 -0.001 0.000 0.228 246 L C 0.930 177.645 176.870 -0.258 0.000 1.123 246 L CA -0.162 54.349 54.840 -0.549 0.000 0.890 246 L CB 0.297 41.962 42.059 -0.657 0.000 1.103 246 L HN 0.641 nan 8.230 nan 0.000 0.468 247 G N 0.041 108.733 108.800 -0.180 0.000 2.434 247 G HA2 0.493 4.452 3.960 -0.001 0.000 0.330 247 G HA3 0.493 4.452 3.960 -0.001 0.000 0.330 247 G C -0.261 174.518 174.900 -0.202 0.000 1.155 247 G CA -0.604 44.387 45.100 -0.183 0.000 0.917 247 G HN 0.039 nan 8.290 nan 0.000 0.493 248 R N -0.138 120.141 120.500 -0.368 0.000 2.738 248 R HA 0.169 4.509 4.340 -0.001 0.000 0.268 248 R C 0.212 176.268 176.300 -0.406 0.000 1.062 248 R CA 0.383 56.203 56.100 -0.467 0.000 1.158 248 R CB 0.266 30.006 30.300 -0.933 0.000 1.046 248 R HN 0.685 nan 8.270 nan 0.000 0.493 249 D N 1.078 121.380 120.400 -0.163 0.000 2.945 249 D HA -0.209 4.431 4.640 -0.001 0.000 0.225 249 D C -0.928 175.355 176.300 -0.028 0.000 1.158 249 D CA 0.857 54.868 54.000 0.017 0.000 0.805 249 D CB -1.215 39.676 40.800 0.151 0.000 1.098 249 D HN 0.782 nan 8.370 nan 0.000 0.426 250 N N -0.766 117.906 118.700 -0.047 0.000 2.705 250 N HA -0.209 4.530 4.740 -0.001 0.000 0.255 250 N C -0.585 174.891 175.510 -0.056 0.000 1.008 250 N CA 1.274 54.302 53.050 -0.036 0.000 0.742 250 N CB -1.392 37.091 38.487 -0.007 0.000 0.906 250 N HN 0.582 nan 8.380 nan 0.000 0.541 251 S N -0.909 114.732 115.700 -0.099 0.000 2.654 251 S HA 0.503 4.973 4.470 -0.001 0.000 0.283 251 S C 0.245 174.784 174.600 -0.101 0.000 1.180 251 S CA -0.949 57.190 58.200 -0.102 0.000 1.021 251 S CB 2.381 65.493 63.200 -0.147 0.000 1.018 251 S HN 0.169 nan 8.310 nan 0.000 0.532 252 E N 0.070 120.223 120.200 -0.080 0.000 2.349 252 E HA 0.301 4.651 4.350 -0.001 0.000 0.262 252 E C -0.619 175.925 176.600 -0.093 0.000 1.088 252 E CA -0.807 55.551 56.400 -0.070 0.000 0.899 252 E CB 0.589 30.270 29.700 -0.032 0.000 1.044 252 E HN 0.445 nan 8.360 nan 0.000 0.420 253 L N 2.425 123.591 121.223 -0.096 0.000 2.416 253 L HA 0.026 4.365 4.340 -0.001 0.000 0.272 253 L C -0.208 176.576 176.870 -0.143 0.000 1.161 253 L CA 0.621 55.361 54.840 -0.168 0.000 0.845 253 L CB 0.292 42.249 42.059 -0.170 0.000 1.119 253 L HN 0.388 nan 8.230 nan 0.000 0.464 254 E N 3.819 123.875 120.200 -0.239 0.000 2.202 254 E HA 0.312 4.661 4.350 -0.001 0.000 0.272 254 E C -1.519 174.911 176.600 -0.285 0.000 0.951 254 E CA -0.323 56.001 56.400 -0.127 0.000 0.813 254 E CB 1.311 30.973 29.700 -0.065 0.000 1.151 254 E HN 0.543 nan 8.360 nan 0.000 0.398 255 W N 0.945 122.278 121.300 0.055 0.000 2.844 255 W HA 0.446 5.106 4.660 -0.001 0.000 0.340 255 W C 0.139 176.759 176.519 0.167 0.000 1.093 255 W CA -0.721 56.702 57.345 0.130 0.000 1.212 255 W CB 1.462 30.980 29.460 0.097 0.000 1.422 255 W HN 0.045 nan 8.180 nan 0.000 0.515 256 R N 1.634 122.391 120.500 0.428 0.000 2.604 256 R HA 0.262 4.602 4.340 -0.001 0.000 0.281 256 R C -0.936 175.293 176.300 -0.119 0.000 1.020 256 R CA -1.095 55.097 56.100 0.154 0.000 0.899 256 R CB 2.420 32.749 30.300 0.048 0.000 1.205 256 R HN 0.693 nan 8.270 nan 0.000 0.450 257 E N 2.539 122.502 120.200 -0.395 0.000 2.277 257 E HA 0.240 4.589 4.350 -0.001 0.000 0.274 257 E C -0.858 175.282 176.600 -0.767 0.000 1.022 257 E CA -0.357 55.519 56.400 -0.873 0.000 0.853 257 E CB 0.837 30.005 29.700 -0.887 0.000 1.086 257 E HN 0.417 nan 8.360 nan 0.000 0.397 258 H N 1.235 120.062 119.070 -0.405 0.000 2.930 258 H HA 0.581 5.137 4.556 -0.001 0.000 0.371 258 H C -0.152 175.063 175.328 -0.188 0.000 1.169 258 H CA 0.140 56.076 56.048 -0.186 0.000 1.157 258 H CB 1.983 31.709 29.762 -0.061 0.000 1.789 258 H HN 0.852 nan 8.280 nan 0.000 0.547 259 G N 0.708 109.567 108.800 0.098 0.000 2.576 259 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.686 259 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.686 259 G C -0.895 174.083 174.900 0.130 0.000 1.242 259 G CA -0.272 44.872 45.100 0.074 0.000 0.819 259 G HN 0.415 nan 8.290 nan 0.000 0.655 260 F N 0.995 120.928 119.950 -0.027 0.000 2.204 260 F HA 0.371 4.898 4.527 -0.001 0.000 0.276 260 F C 2.566 178.346 175.800 -0.034 0.000 1.085 260 F CA 1.872 59.857 58.000 -0.025 0.000 1.160 260 F CB -0.161 38.829 39.000 -0.017 0.000 1.091 260 F HN 0.560 nan 8.300 nan 0.000 0.522 261 K N 0.081 120.531 120.400 0.084 0.000 2.031 261 K HA -0.048 4.272 4.320 -0.001 0.000 0.205 261 K C -0.428 176.141 176.600 -0.052 0.000 1.049 261 K CA 1.033 57.294 56.287 -0.043 0.000 0.939 261 K CB -0.272 32.255 32.500 0.045 0.000 0.717 261 K HN 0.317 nan 8.250 nan 0.000 0.438 262 N N 0.211 118.901 118.700 -0.017 0.000 2.476 262 N HA 0.226 4.965 4.740 -0.001 0.000 0.257 262 N C -0.888 174.577 175.510 -0.075 0.000 0.970 262 N CA -0.578 52.447 53.050 -0.042 0.000 0.938 262 N CB 1.929 40.400 38.487 -0.026 0.000 1.144 262 N HN 0.136 nan 8.380 nan 0.000 0.500 263 G N 0.938 109.669 108.800 -0.115 0.000 2.432 263 G HA2 0.449 4.409 3.960 -0.001 0.000 0.257 263 G HA3 0.449 4.409 3.960 -0.001 0.000 0.257 263 G C -0.061 174.681 174.900 -0.263 0.000 1.238 263 G CA -0.325 44.640 45.100 -0.225 0.000 0.838 263 G HN 0.403 nan 8.290 nan 0.000 0.547 264 V N -0.356 119.300 119.914 -0.430 0.000 2.876 264 V HA 0.800 4.919 4.120 -0.001 0.000 0.312 264 V C -1.115 174.564 176.094 -0.692 0.000 1.085 264 V CA -1.533 60.524 62.300 -0.406 0.000 0.945 264 V CB 1.785 33.370 31.823 -0.396 0.000 1.017 264 V HN 0.476 nan 8.190 nan 0.000 0.428 265 F N 3.211 123.014 119.950 -0.246 0.000 2.427 265 F HA 0.786 5.312 4.527 -0.001 0.000 0.346 265 F C -0.382 175.502 175.800 0.141 0.000 1.120 265 F CA -0.513 57.440 58.000 -0.077 0.000 1.033 265 F CB 1.750 40.749 39.000 -0.003 0.000 1.126 265 F HN 0.410 nan 8.300 nan 0.000 0.462 266 F N 2.120 122.340 119.950 0.449 0.000 2.450 266 F HA 0.713 5.239 4.527 -0.001 0.000 0.332 266 F C 0.299 176.171 175.800 0.120 0.000 1.093 266 F CA -1.582 56.594 58.000 0.294 0.000 1.003 266 F CB 1.344 40.486 39.000 0.236 0.000 1.151 266 F HN 0.455 nan 8.300 nan 0.000 0.474 267 A N 3.233 126.044 122.820 -0.015 0.000 2.324 267 A HA 0.804 5.124 4.320 -0.001 0.000 0.330 267 A C -1.094 176.293 177.584 -0.329 0.000 1.165 267 A CA -0.584 51.063 52.037 -0.651 0.000 0.813 267 A CB 0.954 19.204 19.000 -1.250 0.000 1.197 267 A HN 0.780 nan 8.150 nan 0.000 0.484 268 Q N 0.493 120.087 119.800 -0.343 0.000 2.345 268 Q HA 0.746 5.086 4.340 -0.001 0.000 0.275 268 Q C -0.956 174.929 176.000 -0.192 0.000 1.063 268 Q CA -0.906 54.789 55.803 -0.181 0.000 0.819 268 Q CB 2.278 30.972 28.738 -0.074 0.000 1.356 268 Q HN 1.007 nan 8.270 nan 0.000 0.418 269 A N 1.975 124.716 122.820 -0.130 0.000 2.359 269 A HA 0.515 4.835 4.320 -0.001 0.000 0.303 269 A C -0.830 176.701 177.584 -0.089 0.000 1.066 269 A CA -0.867 51.091 52.037 -0.132 0.000 0.730 269 A CB 1.316 20.231 19.000 -0.142 0.000 1.211 269 A HN 0.710 nan 8.150 nan 0.000 0.439 270 K N 1.821 122.143 120.400 -0.130 0.000 2.484 270 K HA 0.282 4.602 4.320 -0.001 0.000 0.280 270 K C 1.066 177.406 176.600 -0.435 0.000 1.013 270 K CA 1.348 57.509 56.287 -0.210 0.000 1.029 270 K CB -0.028 32.206 32.500 -0.443 0.000 0.902 270 K HN 1.980 nan 8.250 nan 0.000 0.481 271 G N 3.577 112.191 108.800 -0.311 0.000 2.155 271 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.257 271 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.257 271 G C -0.323 174.572 174.900 -0.009 0.000 0.983 271 G CA 0.532 45.494 45.100 -0.230 0.000 0.676 271 G HN 0.685 nan 8.290 nan 0.000 0.528 272 R N -1.219 119.293 120.500 0.019 0.000 2.740 272 R HA 0.657 4.996 4.340 -0.001 0.000 0.273 272 R C -0.509 175.834 176.300 0.072 0.000 0.998 272 R CA -1.015 55.128 56.100 0.072 0.000 0.900 272 R CB 1.433 31.780 30.300 0.078 0.000 1.223 272 R HN 0.124 nan 8.270 nan 0.000 0.466 273 L N 2.861 124.134 121.223 0.083 0.000 2.309 273 L HA 0.568 4.908 4.340 -0.001 0.000 0.282 273 L C -0.234 176.650 176.870 0.023 0.000 1.036 273 L CA -0.684 54.189 54.840 0.055 0.000 0.806 273 L CB 1.302 43.401 42.059 0.066 0.000 1.220 273 L HN 0.425 nan 8.230 nan 0.000 0.429 274 I N 4.566 125.134 120.570 -0.002 0.000 2.390 274 I HA 0.317 4.487 4.170 -0.001 0.000 0.283 274 I C -0.692 175.416 176.117 -0.015 0.000 1.016 274 I CA -0.417 60.873 61.300 -0.016 0.000 1.151 274 I CB 1.487 39.460 38.000 -0.045 0.000 1.293 274 I HN 0.331 nan 8.210 nan 0.000 0.458 275 I N 4.827 125.394 120.570 -0.004 0.000 2.354 275 I HA 0.219 4.389 4.170 -0.001 0.000 0.286 275 I C -0.177 175.990 176.117 0.082 0.000 1.007 275 I CA -0.559 60.768 61.300 0.044 0.000 1.167 275 I CB 1.149 39.225 38.000 0.127 0.000 1.320 275 I HN 0.503 nan 8.210 nan 0.000 0.458 276 D N 4.468 124.884 120.400 0.026 0.000 2.317 276 D HA 0.266 4.905 4.640 -0.001 0.000 0.252 276 D C 1.428 177.701 176.300 -0.044 0.000 1.174 276 D CA -0.081 53.913 54.000 -0.010 0.000 0.866 276 D CB 1.795 42.554 40.800 -0.068 0.000 1.127 276 D HN 0.689 nan 8.370 nan 0.000 0.467 277 G N 3.708 112.506 108.800 -0.002 0.000 2.442 277 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.219 277 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.219 277 G C 1.570 176.190 174.900 -0.467 0.000 1.141 277 G CA 0.783 45.825 45.100 -0.097 0.000 0.763 277 G HN 0.663 nan 8.290 nan 0.000 0.554 278 I N 0.152 120.255 120.570 -0.778 0.000 2.142 278 I HA -0.113 4.057 4.170 -0.001 0.000 0.240 278 I C 2.667 178.570 176.117 -0.356 0.000 1.078 278 I CA 1.407 62.373 61.300 -0.556 0.000 1.343 278 I CB -0.322 37.310 38.000 -0.614 0.000 1.046 278 I HN 0.097 nan 8.210 nan 0.000 0.405 279 E N 1.221 121.242 120.200 -0.299 0.000 2.085 279 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 279 E C 2.165 178.680 176.600 -0.141 0.000 0.994 279 E CA 1.738 58.008 56.400 -0.215 0.000 0.801 279 E CB -0.269 29.323 29.700 -0.181 0.000 0.743 279 E HN 0.451 nan 8.360 nan 0.000 0.453 280 A N 0.106 122.845 122.820 -0.134 0.000 1.902 280 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 280 A C 2.270 179.789 177.584 -0.109 0.000 1.181 280 A CA 1.349 53.325 52.037 -0.102 0.000 0.623 280 A CB -0.646 18.264 19.000 -0.151 0.000 0.818 280 A HN 0.299 nan 8.150 nan 0.000 0.443 281 L N -1.035 120.143 121.223 -0.075 0.000 2.109 281 L HA -0.143 4.197 4.340 -0.001 0.000 0.207 281 L C 2.553 179.546 176.870 0.204 0.000 1.086 281 L CA 1.387 56.297 54.840 0.117 0.000 0.760 281 L CB -0.420 41.834 42.059 0.326 0.000 0.910 281 L HN 0.362 nan 8.230 nan 0.000 0.437 282 K N 0.050 120.441 120.400 -0.014 0.000 2.097 282 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 282 K C 2.290 178.747 176.600 -0.238 0.000 1.049 282 K CA 1.714 57.904 56.287 -0.162 0.000 0.933 282 K CB -0.144 32.134 32.500 -0.369 0.000 0.717 282 K HN 0.320 nan 8.250 nan 0.000 0.442 283 S N 0.205 115.765 115.700 -0.234 0.000 2.481 283 S HA -0.008 4.462 4.470 -0.001 0.000 0.231 283 S C 1.696 175.917 174.600 -0.631 0.000 0.996 283 S CA 0.755 58.746 58.200 -0.347 0.000 0.942 283 S CB 0.148 63.292 63.200 -0.094 0.000 0.768 283 S HN 0.241 nan 8.310 nan 0.000 0.520 284 A N -0.060 122.451 122.820 -0.516 0.000 2.423 284 A HA 0.607 4.926 4.320 -0.001 0.000 0.246 284 A C 0.418 177.817 177.584 -0.308 0.000 1.278 284 A CA -0.562 51.092 52.037 -0.640 0.000 0.903 284 A CB -0.908 17.681 19.000 -0.685 0.000 0.997 284 A HN 0.581 nan 8.150 nan 0.000 0.510 285 F N -4.040 115.867 119.950 -0.071 0.000 3.080 285 F HA -0.220 4.306 4.527 -0.001 0.000 0.292 285 F C 0.116 175.811 175.800 -0.175 0.000 0.891 285 F CA 0.031 57.973 58.000 -0.097 0.000 1.086 285 F CB -2.618 36.293 39.000 -0.148 0.000 1.095 285 F HN 0.452 nan 8.300 nan 0.000 0.633 286 W N 2.036 123.330 121.300 -0.010 0.000 2.190 286 W HA 0.338 4.998 4.660 -0.001 0.000 0.330 286 W C 0.909 177.275 176.519 -0.255 0.000 1.299 286 W CA -0.181 57.071 57.345 -0.155 0.000 1.215 286 W CB 0.352 29.751 29.460 -0.101 0.000 1.147 286 W HN 0.223 nan 8.180 nan 0.000 0.563 287 N N 2.252 120.713 118.700 -0.400 0.000 2.807 287 N HA 0.308 5.047 4.740 -0.001 0.000 0.259 287 N C -1.533 173.618 175.510 -0.598 0.000 1.149 287 N CA -0.210 52.615 53.050 -0.375 0.000 1.042 287 N CB -0.212 38.109 38.487 -0.277 0.000 1.367 287 N HN 0.005 nan 8.380 nan 0.000 0.516 288 F N -0.263 119.755 119.950 0.113 0.000 2.551 288 F HA 0.427 4.954 4.527 -0.001 0.000 0.316 288 F C 1.646 177.486 175.800 0.068 0.000 1.089 288 F CA -1.639 56.317 58.000 -0.073 0.000 0.915 288 F CB 1.760 40.398 39.000 -0.604 0.000 1.186 288 F HN 0.350 nan 8.300 nan 0.000 0.456 289 S N 1.739 117.599 115.700 0.267 0.000 2.359 289 S HA -0.070 4.399 4.470 -0.001 0.000 0.224 289 S C 0.523 175.280 174.600 0.262 0.000 1.035 289 S CA 1.545 59.880 58.200 0.224 0.000 1.018 289 S CB -0.303 63.001 63.200 0.174 0.000 0.876 289 S HN 0.727 nan 8.310 nan 0.000 0.448 290 S N -1.456 114.385 115.700 0.235 0.000 2.588 290 S HA 0.649 5.118 4.470 -0.001 0.000 0.275 290 S C -0.637 174.113 174.600 0.249 0.000 1.130 290 S CA -0.811 57.559 58.200 0.282 0.000 0.855 290 S CB 0.838 64.145 63.200 0.179 0.000 1.116 290 S HN 0.218 nan 8.310 nan 0.000 0.472 291 F N 2.177 122.248 119.950 0.203 0.000 2.660 291 F HA 0.254 4.780 4.527 -0.001 0.000 0.297 291 F C 1.436 177.471 175.800 0.391 0.000 1.132 291 F CA -0.372 57.785 58.000 0.262 0.000 1.372 291 F CB 0.219 39.324 39.000 0.175 0.000 1.003 291 F HN 0.710 nan 8.300 nan 0.000 0.524 292 S N 0.158 116.047 115.700 0.314 0.000 2.549 292 S HA 0.017 4.487 4.470 -0.001 0.000 0.283 292 S C 1.270 175.904 174.600 0.056 0.000 1.320 292 S CA -0.712 57.635 58.200 0.246 0.000 1.058 292 S CB 1.203 64.452 63.200 0.082 0.000 0.882 292 S HN 0.374 nan 8.310 nan 0.000 0.498 293 L N 2.252 123.362 121.223 -0.188 0.000 2.043 293 L HA -0.133 4.206 4.340 -0.001 0.000 0.212 293 L C 2.217 178.793 176.870 -0.490 0.000 1.075 293 L CA 2.103 56.452 54.840 -0.819 0.000 0.752 293 L CB -1.048 40.444 42.059 -0.945 0.000 0.891 293 L HN 0.836 nan 8.230 nan 0.000 0.432 294 E N -0.882 119.156 120.200 -0.271 0.000 2.058 294 E HA -0.183 4.167 4.350 -0.001 0.000 0.194 294 E C 2.067 178.559 176.600 -0.179 0.000 0.997 294 E CA 2.058 58.346 56.400 -0.187 0.000 0.801 294 E CB -0.785 28.857 29.700 -0.097 0.000 0.746 294 E HN 0.537 nan 8.360 nan 0.000 0.450 295 T N 0.301 114.762 114.554 -0.155 0.000 2.737 295 T HA -0.100 4.250 4.350 -0.001 0.000 0.265 295 T C 2.081 176.639 174.700 -0.237 0.000 1.038 295 T CA 1.238 63.258 62.100 -0.133 0.000 1.144 295 T CB -0.425 68.404 68.868 -0.065 0.000 0.866 295 T HN -0.038 nan 8.240 nan 0.000 0.434 296 V N 2.001 121.668 119.914 -0.413 0.000 2.332 296 V HA -0.188 3.932 4.120 -0.001 0.000 0.248 296 V C 2.966 178.772 176.094 -0.480 0.000 1.055 296 V CA 1.700 63.566 62.300 -0.722 0.000 1.038 296 V CB -1.343 29.915 31.823 -0.941 0.000 0.651 296 V HN 0.545 nan 8.190 nan 0.000 0.450 297 A N 0.662 123.239 122.820 -0.404 0.000 1.883 297 A HA -0.300 4.019 4.320 -0.001 0.000 0.217 297 A C 2.262 179.740 177.584 -0.177 0.000 1.186 297 A CA 2.160 54.025 52.037 -0.287 0.000 0.624 297 A CB -0.506 18.327 19.000 -0.278 0.000 0.822 297 A HN 0.756 nan 8.150 nan 0.000 0.444 298 Q N -0.673 119.038 119.800 -0.149 0.000 2.083 298 Q HA -0.148 4.192 4.340 -0.001 0.000 0.198 298 Q C 1.749 177.725 176.000 -0.041 0.000 0.969 298 Q CA 1.412 57.168 55.803 -0.078 0.000 0.838 298 Q CB -0.434 28.272 28.738 -0.054 0.000 0.900 298 Q HN 0.763 nan 8.270 nan 0.000 0.436 299 E N 0.684 120.858 120.200 -0.042 0.000 2.072 299 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 299 E C 1.941 178.600 176.600 0.099 0.000 0.985 299 E CA 1.008 57.442 56.400 0.057 0.000 0.801 299 E CB 0.057 29.847 29.700 0.150 0.000 0.750 299 E HN 0.203 nan 8.360 nan 0.000 0.452 300 L N 0.054 121.302 121.223 0.042 0.000 2.168 300 L HA 0.019 4.358 4.340 -0.001 0.000 0.203 300 L C 1.758 178.645 176.870 0.029 0.000 1.078 300 L CA 1.190 56.080 54.840 0.083 0.000 0.780 300 L CB 0.225 42.293 42.059 0.016 0.000 0.939 300 L HN 0.029 nan 8.230 nan 0.000 0.451 301 L N -0.569 120.635 121.223 -0.031 0.000 2.607 301 L HA 0.359 4.698 4.340 -0.001 0.000 0.228 301 L C 1.095 177.957 176.870 -0.014 0.000 1.123 301 L CA 0.357 55.182 54.840 -0.024 0.000 0.890 301 L CB -0.528 41.496 42.059 -0.058 0.000 1.103 301 L HN 0.399 nan 8.230 nan 0.000 0.468 302 G N 2.235 111.031 108.800 -0.008 0.000 2.338 302 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.296 302 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.296 302 G C 0.004 174.895 174.900 -0.015 0.000 1.040 302 G CA 0.745 45.844 45.100 -0.001 0.000 1.004 302 G HN 0.634 nan 8.290 nan 0.000 0.509 303 E N -0.174 120.005 120.200 -0.034 0.000 2.210 303 E HA 0.702 5.051 4.350 -0.001 0.000 0.266 303 E C 0.769 177.345 176.600 -0.040 0.000 0.883 303 E CA -0.373 56.004 56.400 -0.038 0.000 0.761 303 E CB 1.344 31.011 29.700 -0.055 0.000 1.156 303 E HN 0.554 nan 8.360 nan 0.000 0.412 316 E N 0.722 120.901 120.200 -0.034 0.000 2.274 316 E HA 0.044 4.394 4.350 -0.001 0.000 0.194 316 E C 1.966 178.535 176.600 -0.051 0.000 0.996 316 E CA 1.229 57.596 56.400 -0.055 0.000 0.840 316 E CB -0.587 29.052 29.700 -0.103 0.000 0.772 316 E HN 0.393 nan 8.360 nan 0.000 0.491 317 I N 1.681 122.231 120.570 -0.034 0.000 2.226 317 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 317 I C 1.997 178.177 176.117 0.106 0.000 1.100 317 I CA 1.613 62.931 61.300 0.031 0.000 1.374 317 I CB 0.050 38.118 38.000 0.113 0.000 1.057 317 I HN 0.228 nan 8.210 nan 0.000 0.413 318 D N -0.092 120.392 120.400 0.141 0.000 2.144 318 D HA -0.191 4.448 4.640 -0.001 0.000 0.200 318 D C 2.270 178.630 176.300 0.100 0.000 0.978 318 D CA 0.959 55.065 54.000 0.178 0.000 0.833 318 D CB -0.185 40.715 40.800 0.166 0.000 0.961 318 D HN 0.290 nan 8.370 nan 0.000 0.470 319 R N 0.836 121.368 120.500 0.053 0.000 2.090 319 R HA 0.007 4.346 4.340 -0.001 0.000 0.228 319 R C 2.220 178.522 176.300 0.002 0.000 1.110 319 R CA 0.700 56.815 56.100 0.026 0.000 0.973 319 R CB 0.169 30.474 30.300 0.007 0.000 0.869 319 R HN 0.007 nan 8.270 nan 0.000 0.440 320 R N -0.735 119.761 120.500 -0.007 0.000 2.148 320 R HA -0.118 4.222 4.340 -0.001 0.000 0.227 320 R C 2.005 178.283 176.300 -0.035 0.000 1.103 320 R CA 1.248 57.335 56.100 -0.022 0.000 0.983 320 R CB -0.246 30.039 30.300 -0.025 0.000 0.874 320 R HN 0.234 nan 8.270 nan 0.000 0.451 321 F N 1.135 120.958 119.950 -0.212 0.000 2.206 321 F HA -0.055 4.472 4.527 -0.001 0.000 0.298 321 F C 2.190 177.875 175.800 -0.191 0.000 1.090 321 F CA 1.188 58.989 58.000 -0.332 0.000 1.323 321 F CB -0.156 38.313 39.000 -0.886 0.000 1.028 321 F HN -0.064 nan 8.300 nan 0.000 0.492 322 A N -0.207 122.580 122.820 -0.055 0.000 1.969 322 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 322 A C 1.911 179.421 177.584 -0.123 0.000 1.169 322 A CA 1.912 53.909 52.037 -0.067 0.000 0.635 322 A CB -0.462 18.558 19.000 0.034 0.000 0.810 322 A HN 0.585 nan 8.150 nan 0.000 0.445 323 E N -2.271 117.867 120.200 -0.103 0.000 2.441 323 E HA 0.084 4.433 4.350 -0.001 0.000 0.212 323 E C -0.616 175.932 176.600 -0.086 0.000 0.840 323 E CA 0.239 56.588 56.400 -0.085 0.000 1.143 323 E CB 0.571 30.242 29.700 -0.048 0.000 1.153 323 E HN 0.319 nan 8.360 nan 0.000 0.539 324 D N 0.678 121.028 120.400 -0.083 0.000 2.621 324 D HA 0.161 4.801 4.640 -0.001 0.000 0.274 324 D C 0.255 176.534 176.300 -0.035 0.000 1.215 324 D CA -0.090 53.880 54.000 -0.050 0.000 0.810 324 D CB 0.441 41.226 40.800 -0.025 0.000 1.248 324 D HN -0.161 nan 8.370 nan 0.000 0.517 325 K N 0.604 120.971 120.400 -0.054 0.000 2.103 325 K HA -0.090 4.229 4.320 -0.001 0.000 0.207 325 K C -1.013 175.626 176.600 0.065 0.000 1.048 325 K CA 1.201 57.487 56.287 -0.001 0.000 0.930 325 K CB -0.304 32.216 32.500 0.034 0.000 0.716 325 K HN 0.307 nan 8.250 nan 0.000 0.444 326 P HA -0.142 nan 4.420 nan 0.000 0.218 326 P C 0.904 178.269 177.300 0.107 0.000 1.149 326 P CA 1.420 64.559 63.100 0.064 0.000 0.817 326 P CB 0.090 31.804 31.700 0.023 0.000 0.785 327 A N -0.912 121.954 122.820 0.076 0.000 1.968 327 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 327 A C 2.056 179.713 177.584 0.120 0.000 1.169 327 A CA 1.091 53.179 52.037 0.086 0.000 0.638 327 A CB -1.507 17.517 19.000 0.040 0.000 0.812 327 A HN 0.140 nan 8.150 nan 0.000 0.446 328 L N -0.204 121.086 121.223 0.111 0.000 2.027 328 L HA 0.022 4.361 4.340 -0.001 0.000 0.206 328 L C 2.636 179.628 176.870 0.204 0.000 1.074 328 L CA 2.136 57.070 54.840 0.156 0.000 0.745 328 L CB -0.820 41.322 42.059 0.138 0.000 0.898 328 L HN 0.307 nan 8.230 nan 0.000 0.433 329 A N -1.405 121.521 122.820 0.177 0.000 1.908 329 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 329 A C 2.248 179.882 177.584 0.082 0.000 1.181 329 A CA 2.343 54.475 52.037 0.159 0.000 0.627 329 A CB -1.279 17.886 19.000 0.274 0.000 0.818 329 A HN 0.527 nan 8.150 nan 0.000 0.445 330 T N -1.433 113.259 114.554 0.230 0.000 2.720 330 T HA -0.204 4.146 4.350 -0.001 0.000 0.268 330 T C 1.794 176.506 174.700 0.020 0.000 1.037 330 T CA 1.767 63.954 62.100 0.145 0.000 1.144 330 T CB -0.459 68.552 68.868 0.237 0.000 0.864 330 T HN 0.638 nan 8.240 nan 0.000 0.444 331 Y N 2.786 123.070 120.300 -0.027 0.000 2.181 331 Y HA -0.146 4.404 4.550 -0.001 0.000 0.288 331 Y C 2.447 178.299 175.900 -0.081 0.000 1.146 331 Y CA 1.442 59.515 58.100 -0.045 0.000 1.164 331 Y CB -0.575 37.877 38.460 -0.012 0.000 0.982 331 Y HN 0.096 nan 8.280 nan 0.000 0.515 332 N N 0.927 119.525 118.700 -0.170 0.000 2.043 332 N HA -0.205 4.534 4.740 -0.001 0.000 0.193 332 N C 1.877 177.185 175.510 -0.336 0.000 1.037 332 N CA 1.853 54.740 53.050 -0.271 0.000 0.851 332 N CB -0.706 37.738 38.487 -0.073 0.000 1.027 332 N HN 0.499 nan 8.380 nan 0.000 0.422 333 L N 1.077 122.076 121.223 -0.374 0.000 2.131 333 L HA -0.051 4.288 4.340 -0.001 0.000 0.210 333 L C 2.178 178.835 176.870 -0.355 0.000 1.092 333 L CA 1.590 56.161 54.840 -0.449 0.000 0.759 333 L CB -0.687 40.897 42.059 -0.791 0.000 0.903 333 L HN 0.085 nan 8.230 nan 0.000 0.435 334 K N -0.275 119.933 120.400 -0.320 0.000 2.148 334 K HA -0.116 4.204 4.320 -0.001 0.000 0.204 334 K C 1.841 178.272 176.600 -0.281 0.000 1.050 334 K CA 1.290 57.428 56.287 -0.250 0.000 0.942 334 K CB -0.264 32.127 32.500 -0.181 0.000 0.724 334 K HN 0.338 nan 8.250 nan 0.000 0.446 335 N N -0.050 118.423 118.700 -0.377 0.000 2.188 335 N HA -0.132 4.607 4.740 -0.001 0.000 0.184 335 N C 1.731 177.082 175.510 -0.264 0.000 1.018 335 N CA 1.384 54.216 53.050 -0.362 0.000 0.858 335 N CB -0.706 37.522 38.487 -0.432 0.000 0.989 335 N HN 0.222 nan 8.380 nan 0.000 0.426 336 C N 1.296 120.452 119.300 -0.240 0.000 2.436 336 C HA -0.065 4.394 4.460 -0.001 0.000 0.277 336 C C 2.483 177.377 174.990 -0.159 0.000 1.241 336 C CA 0.454 59.360 59.018 -0.186 0.000 1.721 336 C CB -0.954 26.665 27.740 -0.202 0.000 2.043 336 C HN 0.534 nan 8.230 nan 0.000 0.472 337 E N 0.395 120.497 120.200 -0.163 0.000 2.110 337 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 337 E C 1.994 178.535 176.600 -0.098 0.000 0.988 337 E CA 0.891 57.224 56.400 -0.111 0.000 0.804 337 E CB -0.280 29.352 29.700 -0.114 0.000 0.745 337 E HN 0.399 nan 8.360 nan 0.000 0.458 338 L N 0.604 121.735 121.223 -0.152 0.000 2.012 338 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 338 L C 2.322 179.090 176.870 -0.170 0.000 1.073 338 L CA 1.339 56.072 54.840 -0.179 0.000 0.748 338 L CB -0.598 41.305 42.059 -0.261 0.000 0.891 338 L HN 0.007 nan 8.230 nan 0.000 0.431 339 V N -1.043 118.768 119.914 -0.171 0.000 2.287 339 V HA -0.333 3.786 4.120 -0.001 0.000 0.248 339 V C 2.428 178.538 176.094 0.027 0.000 1.053 339 V CA 2.225 64.485 62.300 -0.066 0.000 1.027 339 V CB -0.923 30.881 31.823 -0.033 0.000 0.646 339 V HN 0.506 nan 8.190 nan 0.000 0.447 340 T N -0.749 113.788 114.554 -0.028 0.000 2.746 340 T HA -0.273 4.076 4.350 -0.001 0.000 0.267 340 T C 1.924 176.704 174.700 0.133 0.000 1.039 340 T CA 1.695 63.823 62.100 0.046 0.000 1.142 340 T CB -0.254 68.655 68.868 0.068 0.000 0.866 340 T HN 0.535 nan 8.240 nan 0.000 0.444 341 Q N 0.073 119.941 119.800 0.114 0.000 2.119 341 Q HA 0.025 4.365 4.340 -0.001 0.000 0.201 341 Q C 2.341 178.415 176.000 0.124 0.000 0.972 341 Q CA 1.103 56.994 55.803 0.146 0.000 0.847 341 Q CB -0.307 28.459 28.738 0.047 0.000 0.903 341 Q HN 0.524 nan 8.270 nan 0.000 0.433 342 I N -0.281 120.327 120.570 0.064 0.000 2.179 342 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 342 I C 1.821 177.984 176.117 0.076 0.000 1.088 342 I CA 1.258 62.565 61.300 0.012 0.000 1.357 342 I CB -0.255 37.723 38.000 -0.037 0.000 1.051 342 I HN 0.173 nan 8.210 nan 0.000 0.409 343 F N 0.320 120.237 119.950 -0.055 0.000 2.126 343 F HA -0.280 4.246 4.527 -0.001 0.000 0.299 343 F C 2.764 178.596 175.800 0.053 0.000 1.096 343 F CA 1.372 59.329 58.000 -0.071 0.000 1.255 343 F CB -0.359 38.520 39.000 -0.202 0.000 0.997 343 F HN 0.155 nan 8.300 nan 0.000 0.479 344 H N -0.232 119.075 119.070 0.396 0.000 2.326 344 H HA -0.134 4.421 4.556 -0.001 0.000 0.301 344 H C 2.140 177.557 175.328 0.149 0.000 1.081 344 H CA 1.591 57.800 56.048 0.269 0.000 1.334 344 H CB -0.492 29.376 29.762 0.177 0.000 1.385 344 H HN 0.064 nan 8.280 nan 0.000 0.504 345 K N 0.938 121.467 120.400 0.215 0.000 2.009 345 K HA -0.114 4.205 4.320 -0.001 0.000 0.210 345 K C 2.200 178.857 176.600 0.094 0.000 1.049 345 K CA 2.224 58.584 56.287 0.122 0.000 0.929 345 K CB -0.713 31.820 32.500 0.055 0.000 0.714 345 K HN 0.413 nan 8.250 nan 0.000 0.440 346 T N -1.540 112.983 114.554 -0.051 0.000 3.035 346 T HA 0.001 4.351 4.350 -0.001 0.000 0.268 346 T C 0.203 174.982 174.700 0.131 0.000 1.109 346 T CA 0.717 62.746 62.100 -0.119 0.000 1.119 346 T CB -0.461 68.006 68.868 -0.668 0.000 0.900 346 T HN 0.459 nan 8.240 nan 0.000 0.503 347 E N -0.449 119.837 120.200 0.143 0.000 2.440 347 E HA -0.211 4.138 4.350 -0.001 0.000 0.246 347 E C 0.574 177.278 176.600 0.173 0.000 1.165 347 E CA 0.307 56.828 56.400 0.202 0.000 0.726 347 E CB -1.532 28.299 29.700 0.219 0.000 1.271 347 E HN 0.503 nan 8.360 nan 0.000 0.397 348 I N -0.119 120.465 120.570 0.024 0.000 2.286 348 I HA -0.265 3.905 4.170 -0.001 0.000 0.248 348 I C 2.014 178.181 176.117 0.082 0.000 1.115 348 I CA 1.557 62.831 61.300 -0.042 0.000 1.392 348 I CB -0.013 37.726 38.000 -0.435 0.000 1.065 348 I HN 0.257 nan 8.210 nan 0.000 0.418 349 M N 0.277 119.921 119.600 0.073 0.000 2.117 349 M HA -0.088 4.391 4.480 -0.001 0.000 0.262 349 M C -0.106 176.283 176.300 0.148 0.000 1.065 349 M CA 1.876 57.247 55.300 0.119 0.000 1.114 349 M CB -2.563 30.158 32.600 0.202 0.000 1.361 349 M HN 0.109 nan 8.290 nan 0.000 0.408 350 P HA -0.168 nan 4.420 nan 0.000 0.216 350 P C 1.679 179.067 177.300 0.145 0.000 1.150 350 P CA 1.124 64.307 63.100 0.138 0.000 0.837 350 P CB -0.343 31.454 31.700 0.161 0.000 0.786 351 F N 0.166 120.156 119.950 0.067 0.000 2.102 351 F HA -0.149 4.377 4.527 -0.001 0.000 0.298 351 F C 1.870 177.703 175.800 0.055 0.000 1.105 351 F CA 1.463 59.506 58.000 0.071 0.000 1.239 351 F CB -0.858 38.198 39.000 0.093 0.000 0.991 351 F HN -0.264 nan 8.300 nan 0.000 0.474 352 L N -0.000 121.290 121.223 0.112 0.000 2.141 352 L HA -0.208 4.131 4.340 -0.001 0.000 0.209 352 L C 2.430 179.276 176.870 -0.041 0.000 1.094 352 L CA 0.930 55.764 54.840 -0.010 0.000 0.763 352 L CB -0.703 41.421 42.059 0.110 0.000 0.908 352 L HN 0.276 nan 8.230 nan 0.000 0.437 353 L N -0.808 120.413 121.223 -0.002 0.000 2.093 353 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 353 L C 2.677 179.604 176.870 0.095 0.000 1.085 353 L CA 0.856 55.722 54.840 0.043 0.000 0.755 353 L CB -0.455 41.520 42.059 -0.139 0.000 0.904 353 L HN 0.243 nan 8.230 nan 0.000 0.435 354 E N 0.114 120.300 120.200 -0.025 0.000 2.106 354 E HA -0.205 4.144 4.350 -0.001 0.000 0.192 354 E C 2.135 178.677 176.600 -0.096 0.000 0.984 354 E CA 0.854 57.234 56.400 -0.034 0.000 0.806 354 E CB -0.159 29.502 29.700 -0.065 0.000 0.750 354 E HN 0.380 nan 8.360 nan 0.000 0.458 355 R N 0.781 121.133 120.500 -0.246 0.000 2.081 355 R HA -0.073 4.266 4.340 -0.001 0.000 0.235 355 R C 2.167 178.402 176.300 -0.108 0.000 1.131 355 R CA 1.491 57.436 56.100 -0.258 0.000 0.960 355 R CB -0.177 29.848 30.300 -0.459 0.000 0.856 355 R HN 0.114 nan 8.270 nan 0.000 0.436 356 A N -0.159 122.636 122.820 -0.042 0.000 1.930 356 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 356 A C 2.144 179.715 177.584 -0.022 0.000 1.175 356 A CA 1.815 53.848 52.037 -0.007 0.000 0.627 356 A CB -0.777 18.275 19.000 0.086 0.000 0.815 356 A HN 0.459 nan 8.150 nan 0.000 0.443 357 T N -0.607 113.974 114.554 0.045 0.000 2.833 357 T HA -0.092 4.257 4.350 -0.001 0.000 0.269 357 T C 1.792 176.494 174.700 0.004 0.000 1.054 357 T CA 1.574 63.689 62.100 0.025 0.000 1.135 357 T CB -0.209 68.731 68.868 0.120 0.000 0.869 357 T HN 0.152 nan 8.240 nan 0.000 0.466 358 V N 2.986 122.898 119.914 -0.003 0.000 2.446 358 V HA -0.062 4.058 4.120 -0.001 0.000 0.244 358 V C 2.187 178.288 176.094 0.012 0.000 1.039 358 V CA 1.613 63.918 62.300 0.007 0.000 1.045 358 V CB -0.380 31.435 31.823 -0.013 0.000 0.681 358 V HN 0.631 nan 8.190 nan 0.000 0.459 359 N N 0.322 119.007 118.700 -0.025 0.000 2.353 359 N HA 0.147 4.887 4.740 -0.001 0.000 0.185 359 N C 1.413 176.846 175.510 -0.129 0.000 1.098 359 N CA 0.983 54.022 53.050 -0.019 0.000 0.872 359 N CB 0.361 38.840 38.487 -0.013 0.000 0.970 359 N HN 0.394 nan 8.380 nan 0.000 0.467 360 G N -0.191 108.461 108.800 -0.247 0.000 2.184 360 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.264 360 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.264 360 G C -0.258 174.254 174.900 -0.647 0.000 0.975 360 G CA 0.737 45.428 45.100 -0.682 0.000 0.642 360 G HN 0.364 nan 8.290 nan 0.000 0.536 361 L N 0.089 121.139 121.223 -0.289 0.000 2.358 361 L HA 0.562 4.902 4.340 -0.001 0.000 0.268 361 L C -1.878 174.938 176.870 -0.091 0.000 1.032 361 L CA -2.575 52.170 54.840 -0.158 0.000 0.805 361 L CB 0.922 42.929 42.059 -0.086 0.000 1.253 361 L HN -0.168 nan 8.230 nan 0.000 0.452 362 P HA 0.021 nan 4.420 nan 0.000 0.269 362 P C 0.765 178.071 177.300 0.010 0.000 1.215 362 P CA -0.354 62.746 63.100 -0.000 0.000 0.780 362 P CB 0.690 32.393 31.700 0.006 0.000 0.898 363 V N 1.391 121.340 119.914 0.058 0.000 2.407 363 V HA -0.249 3.870 4.120 -0.001 0.000 0.248 363 V C 1.172 177.282 176.094 0.026 0.000 1.055 363 V CA 2.257 64.597 62.300 0.067 0.000 1.049 363 V CB -1.292 30.607 31.823 0.127 0.000 0.662 363 V HN 0.563 nan 8.190 nan 0.000 0.455 364 D N -0.399 120.004 120.400 0.006 0.000 2.269 364 D HA -0.072 4.568 4.640 -0.001 0.000 0.208 364 D C 1.421 177.679 176.300 -0.070 0.000 0.963 364 D CA 0.228 54.207 54.000 -0.034 0.000 0.864 364 D CB -0.402 40.364 40.800 -0.057 0.000 0.936 364 D HN 0.282 nan 8.370 nan 0.000 0.505 365 R N 1.147 121.610 120.500 -0.061 0.000 2.538 365 R HA 0.021 4.361 4.340 -0.001 0.000 0.282 365 R C -0.691 175.586 176.300 -0.038 0.000 1.009 365 R CA 0.027 56.081 56.100 -0.077 0.000 1.063 365 R CB -0.227 30.036 30.300 -0.061 0.000 0.945 365 R HN 0.185 nan 8.270 nan 0.000 0.414 366 H N 3.784 122.757 119.070 -0.162 0.000 2.517 366 H HA 0.471 5.026 4.556 -0.001 0.000 0.317 366 H C 0.934 176.217 175.328 -0.075 0.000 1.080 366 H CA 0.816 56.792 56.048 -0.119 0.000 1.301 366 H CB 1.028 30.699 29.762 -0.151 0.000 1.425 366 H HN 0.883 nan 8.280 nan 0.000 0.471 367 G N 3.435 111.906 108.800 -0.549 0.000 2.565 367 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.295 367 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.295 367 G C 0.998 175.799 174.900 -0.164 0.000 1.165 367 G CA 0.671 45.533 45.100 -0.397 0.000 0.977 367 G HN 1.997 nan 8.290 nan 0.000 0.546 368 G N -1.779 106.958 108.800 -0.106 0.000 2.149 368 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.235 368 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.235 368 G C 1.287 176.203 174.900 0.026 0.000 1.018 368 G CA 1.486 46.566 45.100 -0.033 0.000 0.728 368 G HN 1.795 nan 8.290 nan 0.000 0.508 369 S N -1.201 114.520 115.700 0.035 0.000 2.383 369 S HA -0.099 4.371 4.470 -0.001 0.000 0.229 369 S C 2.576 177.281 174.600 0.175 0.000 1.030 369 S CA 1.660 59.925 58.200 0.108 0.000 1.002 369 S CB -0.047 63.208 63.200 0.093 0.000 0.829 369 S HN 0.555 nan 8.310 nan 0.000 0.467 370 V N 1.484 121.467 119.914 0.114 0.000 2.307 370 V HA -0.131 3.989 4.120 -0.001 0.000 0.245 370 V C 2.564 178.775 176.094 0.195 0.000 1.045 370 V CA 1.656 64.033 62.300 0.129 0.000 1.024 370 V CB -1.047 30.802 31.823 0.044 0.000 0.651 370 V HN 0.531 nan 8.190 nan 0.000 0.449 371 A N -0.145 122.754 122.820 0.130 0.000 1.972 371 A HA -0.076 4.244 4.320 -0.001 0.000 0.219 371 A C 2.386 180.077 177.584 0.178 0.000 1.169 371 A CA 1.944 54.054 52.037 0.121 0.000 0.635 371 A CB -0.646 18.391 19.000 0.063 0.000 0.810 371 A HN 0.554 nan 8.150 nan 0.000 0.446 372 A N -1.075 121.860 122.820 0.191 0.000 1.873 372 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 372 A C 2.059 179.844 177.584 0.335 0.000 1.186 372 A CA 1.469 53.635 52.037 0.215 0.000 0.616 372 A CB -0.746 18.360 19.000 0.178 0.000 0.823 372 A HN 0.683 nan 8.150 nan 0.000 0.442 373 F N 1.136 121.237 119.950 0.251 0.000 2.126 373 F HA -0.090 4.437 4.527 -0.001 0.000 0.299 373 F C 2.286 178.236 175.800 0.251 0.000 1.096 373 F CA 1.701 59.848 58.000 0.245 0.000 1.255 373 F CB -0.466 38.637 39.000 0.172 0.000 0.997 373 F HN 0.223 nan 8.300 nan 0.000 0.479 374 G N -0.913 108.219 108.800 0.554 0.000 2.422 374 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 374 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 374 G C 1.727 176.724 174.900 0.160 0.000 1.146 374 G CA 0.943 46.332 45.100 0.481 0.000 0.769 374 G HN 0.496 nan 8.290 nan 0.000 0.547 375 H N 0.649 119.732 119.070 0.022 0.000 2.352 375 H HA 0.029 4.584 4.556 -0.001 0.000 0.299 375 H C 2.550 177.897 175.328 0.032 0.000 1.097 375 H CA 1.438 57.472 56.048 -0.024 0.000 1.311 375 H CB -0.038 29.727 29.762 0.005 0.000 1.377 375 H HN 0.291 nan 8.280 nan 0.000 0.504 376 L N -0.951 120.388 121.223 0.193 0.000 2.179 376 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 376 L C 2.460 179.333 176.870 0.005 0.000 1.096 376 L CA 0.747 55.659 54.840 0.119 0.000 0.779 376 L CB -0.575 41.553 42.059 0.114 0.000 0.922 376 L HN 0.195 nan 8.230 nan 0.000 0.443 377 Y N 0.094 120.283 120.300 -0.184 0.000 2.184 377 Y HA -0.166 4.384 4.550 -0.001 0.000 0.290 377 Y C 2.404 178.278 175.900 -0.042 0.000 1.129 377 Y CA 1.230 59.174 58.100 -0.260 0.000 1.144 377 Y CB -0.322 37.809 38.460 -0.548 0.000 0.995 377 Y HN -0.085 nan 8.280 nan 0.000 0.513 378 F N 0.970 120.871 119.950 -0.082 0.000 2.063 378 F HA -0.314 4.213 4.527 -0.001 0.000 0.298 378 F C -0.239 175.313 175.800 -0.413 0.000 1.109 378 F CA 1.632 59.489 58.000 -0.239 0.000 1.212 378 F CB -1.566 37.368 39.000 -0.110 0.000 0.973 378 F HN 0.154 nan 8.300 nan 0.000 0.480 379 P HA -0.178 nan 4.420 nan 0.000 0.216 379 P C 1.113 178.321 177.300 -0.153 0.000 1.150 379 P CA 1.706 64.666 63.100 -0.233 0.000 0.837 379 P CB -0.213 31.043 31.700 -0.739 0.000 0.786 380 R N -0.801 119.603 120.500 -0.161 0.000 2.073 380 R HA 0.014 4.353 4.340 -0.001 0.000 0.229 380 R C 2.650 178.800 176.300 -0.250 0.000 1.120 380 R CA 1.126 57.136 56.100 -0.151 0.000 0.967 380 R CB -0.892 29.256 30.300 -0.252 0.000 0.862 380 R HN 0.235 nan 8.270 nan 0.000 0.436 381 M N 0.228 119.567 119.600 -0.435 0.000 2.080 381 M HA -0.227 4.253 4.480 -0.001 0.000 0.260 381 M C 1.702 177.925 176.300 -0.128 0.000 1.068 381 M CA 1.927 57.030 55.300 -0.327 0.000 1.109 381 M CB -0.209 32.187 32.600 -0.340 0.000 1.342 381 M HN 0.259 nan 8.290 nan 0.000 0.405 382 H N -0.766 118.250 119.070 -0.090 0.000 2.353 382 H HA -0.088 4.468 4.556 -0.001 0.000 0.300 382 H C 2.137 177.425 175.328 -0.067 0.000 1.090 382 H CA 1.553 57.548 56.048 -0.088 0.000 1.327 382 H CB -0.044 29.673 29.762 -0.076 0.000 1.383 382 H HN 0.400 nan 8.280 nan 0.000 0.508 383 R N 0.395 120.936 120.500 0.068 0.000 2.152 383 R HA -0.033 4.306 4.340 -0.001 0.000 0.232 383 R C 2.259 178.563 176.300 0.007 0.000 1.117 383 R CA 0.815 56.937 56.100 0.037 0.000 0.981 383 R CB 0.003 30.337 30.300 0.056 0.000 0.870 383 R HN 0.261 nan 8.270 nan 0.000 0.451 384 A N -0.103 122.721 122.820 0.007 0.000 2.206 384 A HA 0.175 4.495 4.320 -0.001 0.000 0.211 384 A C 1.383 178.985 177.584 0.031 0.000 1.158 384 A CA 0.906 52.960 52.037 0.027 0.000 0.761 384 A CB -0.028 18.998 19.000 0.044 0.000 0.801 384 A HN 0.450 nan 8.150 nan 0.000 0.473 385 G N -2.921 105.863 108.800 -0.027 0.000 2.144 385 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 385 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 385 G C -0.182 174.477 174.900 -0.402 0.000 0.988 385 G CA 0.175 45.151 45.100 -0.205 0.000 0.659 385 G HN 0.433 nan 8.290 nan 0.000 0.522 386 Y N -0.804 119.452 120.300 -0.074 0.000 2.562 386 Y HA 0.654 5.204 4.550 -0.001 0.000 0.343 386 Y C 0.629 176.493 175.900 -0.061 0.000 1.025 386 Y CA -0.653 57.407 58.100 -0.065 0.000 1.082 386 Y CB 2.237 40.683 38.460 -0.023 0.000 1.264 386 Y HN 0.507 nan 8.280 nan 0.000 0.478 387 V N -0.440 119.480 119.914 0.009 0.000 2.881 387 V HA 0.940 5.060 4.120 -0.001 0.000 0.316 387 V C 0.018 176.013 176.094 -0.166 0.000 1.070 387 V CA -1.401 60.786 62.300 -0.189 0.000 0.976 387 V CB 1.176 32.649 31.823 -0.583 0.000 1.038 387 V HN 0.914 nan 8.190 nan 0.000 0.446 388 A N 4.158 126.805 122.820 -0.289 0.000 2.462 388 A HA 0.647 4.967 4.320 -0.001 0.000 0.243 388 A C -1.947 175.371 177.584 -0.442 0.000 1.076 388 A CA -1.150 50.635 52.037 -0.420 0.000 0.773 388 A CB -0.415 18.274 19.000 -0.518 0.000 1.010 388 A HN 0.860 nan 8.150 nan 0.000 0.493 389 P HA 0.126 nan 4.420 nan 0.000 0.274 389 P C -0.636 176.552 177.300 -0.187 0.000 1.237 389 P CA -0.374 62.461 63.100 -0.442 0.000 0.793 389 P CB 0.649 31.919 31.700 -0.716 0.000 0.977 390 N N 0.180 118.905 118.700 0.043 0.000 2.463 390 N HA 0.276 5.016 4.740 -0.001 0.000 0.270 390 N C -0.143 175.331 175.510 -0.060 0.000 1.205 390 N CA -0.723 52.339 53.050 0.020 0.000 0.974 390 N CB 0.171 38.690 38.487 0.053 0.000 1.197 390 N HN 0.310 nan 8.380 nan 0.000 0.504 391 L N 0.912 122.101 121.223 -0.056 0.000 2.452 391 L HA 0.241 4.580 4.340 -0.001 0.000 0.267 391 L C 1.153 177.997 176.870 -0.044 0.000 1.188 391 L CA 0.908 55.706 54.840 -0.069 0.000 0.821 391 L CB 0.028 42.050 42.059 -0.063 0.000 1.102 391 L HN 0.797 nan 8.230 nan 0.000 0.470 392 G N 2.583 111.352 108.800 -0.051 0.000 2.341 392 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.292 392 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.292 392 G C 0.546 175.446 174.900 0.001 0.000 1.021 392 G CA 0.839 45.916 45.100 -0.039 0.000 0.905 392 G HN 0.787 nan 8.290 nan 0.000 0.508 393 E N -1.425 118.793 120.200 0.030 0.000 2.538 393 E HA 0.282 4.632 4.350 -0.001 0.000 0.207 393 E C 0.125 176.780 176.600 0.091 0.000 1.002 393 E CA -0.056 56.379 56.400 0.059 0.000 0.952 393 E CB 1.179 30.924 29.700 0.075 0.000 1.031 393 E HN 0.318 nan 8.360 nan 0.000 0.476 394 V N 2.854 122.834 119.914 0.109 0.000 2.380 394 V HA 0.266 4.385 4.120 -0.001 0.000 0.286 394 V C -2.429 173.793 176.094 0.214 0.000 1.015 394 V CA -2.051 60.349 62.300 0.167 0.000 0.834 394 V CB 1.226 33.165 31.823 0.194 0.000 1.009 394 V HN -0.015 nan 8.190 nan 0.000 0.428 395 P HA 0.219 nan 4.420 nan 0.000 0.268 395 P C -2.413 175.092 177.300 0.342 0.000 1.204 395 P CA -0.747 62.466 63.100 0.188 0.000 0.768 395 P CB 0.142 31.937 31.700 0.158 0.000 0.842 396 P HA 0.120 nan 4.420 nan 0.000 0.274 396 P C -0.560 176.985 177.300 0.409 0.000 1.237 396 P CA 0.229 63.548 63.100 0.366 0.000 0.793 396 P CB 1.043 32.767 31.700 0.041 0.000 0.977 397 H N -0.817 118.344 119.070 0.151 0.000 2.737 397 H HA 0.477 5.033 4.556 -0.001 0.000 0.358 397 H C 0.021 175.380 175.328 0.051 0.000 1.187 397 H CA -1.258 54.833 56.048 0.071 0.000 1.221 397 H CB 2.047 31.827 29.762 0.030 0.000 1.799 397 H HN 0.503 nan 8.280 nan 0.000 0.568 398 A N 1.523 124.423 122.820 0.133 0.000 2.565 398 A HA 0.124 4.443 4.320 -0.001 0.000 0.237 398 A C 0.385 178.021 177.584 0.086 0.000 1.053 398 A CA 0.364 52.454 52.037 0.088 0.000 0.755 398 A CB -0.174 18.869 19.000 0.072 0.000 0.980 398 A HN 0.570 nan 8.150 nan 0.000 0.506 399 S N 3.471 119.213 115.700 0.070 0.000 2.478 399 S HA 0.675 5.144 4.470 -0.001 0.000 0.312 399 S C -2.502 172.139 174.600 0.069 0.000 1.094 399 S CA -1.208 57.020 58.200 0.047 0.000 1.081 399 S CB 0.830 64.059 63.200 0.049 0.000 1.007 399 S HN 0.555 nan 8.310 nan 0.000 0.475 400 P HA 0.435 nan 4.420 nan 0.000 0.268 400 P C 0.274 177.680 177.300 0.177 0.000 1.205 400 P CA -0.142 63.038 63.100 0.133 0.000 0.771 400 P CB 0.510 32.261 31.700 0.085 0.000 0.858 401 G N 0.374 109.324 108.800 0.249 0.000 2.820 401 G HA2 0.580 4.540 3.960 -0.001 0.000 0.291 401 G HA3 0.580 4.540 3.960 -0.001 0.000 0.291 401 G C -0.192 174.955 174.900 0.411 0.000 1.323 401 G CA -0.711 44.552 45.100 0.272 0.000 1.055 401 G HN 0.644 nan 8.290 nan 0.000 0.520 402 G N -1.574 107.441 108.800 0.359 0.000 2.559 402 G HA2 0.330 4.289 3.960 -0.001 0.000 0.235 402 G HA3 0.330 4.289 3.960 -0.001 0.000 0.235 402 G C -0.239 174.877 174.900 0.360 0.000 1.266 402 G CA -0.148 45.201 45.100 0.415 0.000 0.847 402 G HN 0.644 nan 8.290 nan 0.000 0.583 403 Y N 1.131 121.582 120.300 0.252 0.000 2.597 403 Y HA 0.346 4.896 4.550 -0.001 0.000 0.336 403 Y C -0.094 175.772 175.900 -0.057 0.000 1.216 403 Y CA 0.283 58.332 58.100 -0.084 0.000 1.463 403 Y CB 0.698 39.228 38.460 0.117 0.000 1.303 403 Y HN 0.312 nan 8.280 nan 0.000 0.576 404 V N 8.465 127.872 119.914 -0.845 0.000 2.663 404 V HA 0.144 4.264 4.120 -0.001 0.000 0.286 404 V C -0.314 175.392 176.094 -0.647 0.000 1.085 404 V CA -0.848 61.090 62.300 -0.604 0.000 0.916 404 V CB 0.949 32.658 31.823 -0.191 0.000 1.039 404 V HN 0.935 nan 8.190 nan 0.000 0.453 405 M N 1.257 120.474 119.600 -0.639 0.000 2.291 405 M HA 0.716 5.195 4.480 -0.001 0.000 0.324 405 M C -0.464 175.813 176.300 -0.039 0.000 1.148 405 M CA -0.001 55.124 55.300 -0.292 0.000 1.104 405 M CB 0.711 33.246 32.600 -0.108 0.000 1.483 405 M HN 0.385 nan 8.290 nan 0.000 0.467 406 D N 2.211 122.620 120.400 0.015 0.000 2.382 406 D HA 0.183 4.823 4.640 -0.001 0.000 0.245 406 D C -0.346 176.036 176.300 0.136 0.000 1.120 406 D CA 0.177 54.222 54.000 0.074 0.000 0.890 406 D CB 1.381 42.209 40.800 0.046 0.000 1.201 406 D HN 0.686 nan 8.370 nan 0.000 0.433 407 S N 1.156 116.936 115.700 0.133 0.000 2.584 407 S HA 0.175 4.644 4.470 -0.001 0.000 0.270 407 S C 0.331 174.976 174.600 0.075 0.000 1.346 407 S CA -0.260 57.998 58.200 0.095 0.000 1.018 407 S CB 0.451 63.610 63.200 -0.069 0.000 0.899 407 S HN 0.250 nan 8.310 nan 0.000 0.542 408 R N 2.671 123.214 120.500 0.071 0.000 2.477 408 R HA 0.282 4.622 4.340 -0.001 0.000 0.285 408 R C -2.479 173.858 176.300 0.062 0.000 1.415 408 R CA -1.795 54.353 56.100 0.080 0.000 1.446 408 R CB 1.225 31.591 30.300 0.111 0.000 1.110 408 R HN 0.526 nan 8.270 nan 0.000 0.590 409 P HA 0.117 nan 4.420 nan 0.000 0.267 409 P C 0.069 177.107 177.300 -0.437 0.000 1.200 409 P CA 0.459 63.501 63.100 -0.096 0.000 0.772 409 P CB 1.377 33.161 31.700 0.139 0.000 0.855 410 G N 0.673 108.863 108.800 -1.018 0.000 2.327 410 G HA2 0.343 4.303 3.960 -0.001 0.000 0.291 410 G HA3 0.343 4.303 3.960 -0.001 0.000 0.291 410 G C -2.464 171.830 174.900 -1.010 0.000 1.290 410 G CA -0.703 43.557 45.100 -1.401 0.000 0.857 410 G HN 0.637 nan 8.290 nan 0.000 0.520 411 L N 0.269 120.983 121.223 -0.848 0.000 2.333 411 L HA 0.892 5.231 4.340 -0.001 0.000 0.280 411 L C -1.255 175.326 176.870 -0.481 0.000 1.004 411 L CA -0.772 53.853 54.840 -0.358 0.000 0.820 411 L CB 1.230 43.189 42.059 -0.167 0.000 1.247 411 L HN 0.633 nan 8.230 nan 0.000 0.416 412 Y N 1.615 121.846 120.300 -0.115 0.000 2.634 412 Y HA 0.567 5.117 4.550 -0.001 0.000 0.340 412 Y C -0.723 175.230 175.900 0.088 0.000 1.058 412 Y CA -1.098 56.944 58.100 -0.097 0.000 1.081 412 Y CB 1.813 40.103 38.460 -0.282 0.000 1.295 412 Y HN 0.420 nan 8.280 nan 0.000 0.487 413 D N 0.709 121.374 120.400 0.442 0.000 2.408 413 D HA 0.359 4.999 4.640 -0.001 0.000 0.243 413 D C -1.041 175.536 176.300 0.461 0.000 1.075 413 D CA -0.168 54.042 54.000 0.351 0.000 0.832 413 D CB 1.708 42.687 40.800 0.298 0.000 1.162 413 D HN 0.607 nan 8.370 nan 0.000 0.515 414 S N 0.198 116.108 115.700 0.350 0.000 3.530 414 S HA -0.094 4.376 4.470 -0.001 0.000 0.618 414 S C -0.506 174.301 174.600 0.344 0.000 0.591 414 S CA -0.188 58.256 58.200 0.407 0.000 1.420 414 S CB -0.500 62.970 63.200 0.450 0.000 0.954 414 S HN 0.337 nan 8.310 nan 0.000 0.956 415 V N 5.317 125.353 119.914 0.204 0.000 2.588 415 V HA 0.559 4.679 4.120 -0.001 0.000 0.304 415 V C 0.157 176.248 176.094 -0.004 0.000 1.042 415 V CA -0.745 61.551 62.300 -0.006 0.000 0.877 415 V CB 1.942 33.509 31.823 -0.426 0.000 0.996 415 V HN 0.652 nan 8.190 nan 0.000 0.425 416 L N 4.800 125.976 121.223 -0.079 0.000 2.325 416 L HA 0.709 5.049 4.340 -0.001 0.000 0.278 416 L C -0.614 176.127 176.870 -0.216 0.000 1.023 416 L CA -0.937 53.863 54.840 -0.068 0.000 0.811 416 L CB 1.912 43.917 42.059 -0.091 0.000 1.249 416 L HN 0.307 nan 8.230 nan 0.000 0.431 417 V N 4.257 124.013 119.914 -0.264 0.000 2.435 417 V HA 0.497 4.617 4.120 -0.001 0.000 0.290 417 V C -0.110 175.795 176.094 -0.316 0.000 1.030 417 V CA -0.426 61.581 62.300 -0.489 0.000 0.881 417 V CB 1.790 33.290 31.823 -0.539 0.000 0.983 417 V HN 0.493 nan 8.190 nan 0.000 0.445 418 L N 5.211 126.236 121.223 -0.331 0.000 2.409 418 L HA 0.738 5.078 4.340 -0.001 0.000 0.272 418 L C -1.268 175.441 176.870 -0.268 0.000 0.980 418 L CA -0.630 54.074 54.840 -0.227 0.000 0.826 418 L CB 2.140 44.088 42.059 -0.184 0.000 1.268 418 L HN 0.750 nan 8.230 nan 0.000 0.407 419 D N 0.241 120.496 120.400 -0.241 0.000 2.645 419 D HA 0.360 5.000 4.640 -0.001 0.000 0.228 419 D C -1.033 175.138 176.300 -0.214 0.000 1.148 419 D CA -0.648 53.231 54.000 -0.201 0.000 0.860 419 D CB 1.007 41.741 40.800 -0.109 0.000 1.548 419 D HN 0.148 nan 8.370 nan 0.000 0.460 420 Y N 0.433 120.714 120.300 -0.032 0.000 2.425 420 Y HA 0.149 4.698 4.550 -0.001 0.000 0.331 420 Y C 1.355 177.241 175.900 -0.023 0.000 1.157 420 Y CA 0.070 58.164 58.100 -0.009 0.000 1.372 420 Y CB 0.920 39.370 38.460 -0.017 0.000 1.253 420 Y HN 0.274 nan 8.280 nan 0.000 0.536 421 K N 2.407 122.907 120.400 0.167 0.000 2.349 421 K HA 0.088 4.408 4.320 -0.001 0.000 0.289 421 K C 0.017 176.660 176.600 0.071 0.000 1.064 421 K CA 0.171 56.495 56.287 0.061 0.000 0.947 421 K CB 0.176 32.726 32.500 0.083 0.000 1.007 421 K HN 0.851 nan 8.250 nan 0.000 0.478 422 S N 3.440 119.094 115.700 -0.077 0.000 3.336 422 S HA -0.172 4.298 4.470 -0.001 0.000 0.362 422 S C 0.859 175.524 174.600 0.108 0.000 0.941 422 S CA 0.333 58.486 58.200 -0.079 0.000 1.297 422 S CB -1.090 61.917 63.200 -0.321 0.000 0.915 422 S HN 0.741 nan 8.310 nan 0.000 0.527 423 L N 1.935 123.175 121.223 0.029 0.000 1.971 423 L HA -0.149 4.191 4.340 -0.001 0.000 0.215 423 L C 1.984 178.942 176.870 0.147 0.000 1.072 423 L CA 2.148 57.003 54.840 0.025 0.000 0.758 423 L CB -0.629 41.355 42.059 -0.124 0.000 0.889 423 L HN 0.624 nan 8.230 nan 0.000 0.433 424 Y N -0.236 120.036 120.300 -0.047 0.000 2.181 424 Y HA -0.098 4.452 4.550 -0.001 0.000 0.288 424 Y C -0.039 175.901 175.900 0.067 0.000 1.146 424 Y CA 0.846 58.914 58.100 -0.053 0.000 1.164 424 Y CB -2.553 35.825 38.460 -0.137 0.000 0.982 424 Y HN 0.314 nan 8.280 nan 0.000 0.515 425 P HA -0.127 nan 4.420 nan 0.000 0.217 425 P C 1.971 179.447 177.300 0.293 0.000 1.150 425 P CA 2.497 65.803 63.100 0.343 0.000 0.832 425 P CB -0.136 31.799 31.700 0.392 0.000 0.787 426 S N -1.089 114.816 115.700 0.340 0.000 2.402 426 S HA -0.122 4.348 4.470 -0.001 0.000 0.229 426 S C 1.943 176.528 174.600 -0.026 0.000 1.021 426 S CA 1.016 59.266 58.200 0.083 0.000 0.974 426 S CB -1.541 61.748 63.200 0.148 0.000 0.800 426 S HN 0.049 nan 8.310 nan 0.000 0.484 427 I N 0.947 121.551 120.570 0.058 0.000 2.353 427 I HA -0.038 4.132 4.170 -0.001 0.000 0.248 427 I C 2.337 178.485 176.117 0.051 0.000 1.119 427 I CA 0.976 62.337 61.300 0.101 0.000 1.417 427 I CB -0.269 37.760 38.000 0.048 0.000 1.078 427 I HN 0.282 nan 8.210 nan 0.000 0.421 428 I N 0.466 121.043 120.570 0.012 0.000 2.226 428 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 428 I C 2.677 178.717 176.117 -0.129 0.000 1.100 428 I CA 1.430 62.699 61.300 -0.052 0.000 1.374 428 I CB -0.295 37.728 38.000 0.037 0.000 1.057 428 I HN 0.156 nan 8.210 nan 0.000 0.413 429 R N -0.231 120.191 120.500 -0.130 0.000 2.075 429 R HA -0.094 4.246 4.340 -0.001 0.000 0.232 429 R C 2.296 178.418 176.300 -0.297 0.000 1.126 429 R CA 1.885 57.852 56.100 -0.222 0.000 0.963 429 R CB -0.551 29.583 30.300 -0.277 0.000 0.858 429 R HN 0.317 nan 8.270 nan 0.000 0.435 430 T N 0.329 114.679 114.554 -0.341 0.000 2.812 430 T HA -0.037 4.312 4.350 -0.001 0.000 0.264 430 T C 1.012 175.283 174.700 -0.715 0.000 1.042 430 T CA 1.141 62.904 62.100 -0.562 0.000 1.140 430 T CB -0.076 68.334 68.868 -0.765 0.000 0.870 430 T HN 0.091 nan 8.240 nan 0.000 0.445 431 F N 0.874 120.685 119.950 -0.232 0.000 2.660 431 F HA 0.460 4.986 4.527 -0.001 0.000 0.302 431 F C 0.548 176.159 175.800 -0.314 0.000 1.103 431 F CA -0.496 57.362 58.000 -0.236 0.000 1.340 431 F CB -0.636 38.218 39.000 -0.245 0.000 1.048 431 F HN -0.073 nan 8.300 nan 0.000 0.551 432 L N 0.212 121.277 121.223 -0.263 0.000 3.737 432 L HA -0.250 4.089 4.340 -0.001 0.000 0.418 432 L C -0.522 176.067 176.870 -0.469 0.000 1.216 432 L CA -0.234 54.380 54.840 -0.376 0.000 0.915 432 L CB -2.046 39.836 42.059 -0.296 0.000 1.834 432 L HN -0.020 nan 8.230 nan 0.000 0.943 433 I N 1.074 121.308 120.570 -0.561 0.000 2.598 433 I HA 0.258 4.427 4.170 -0.001 0.000 0.284 433 I C 0.480 176.397 176.117 -0.333 0.000 1.140 433 I CA 0.733 61.538 61.300 -0.826 0.000 1.420 433 I CB 0.653 38.316 38.000 -0.562 0.000 1.387 433 I HN 0.218 nan 8.210 nan 0.000 0.553 434 D N 7.145 127.485 120.400 -0.099 0.000 2.769 434 D HA 0.357 4.997 4.640 -0.001 0.000 0.219 434 D C -2.368 174.049 176.300 0.196 0.000 1.245 434 D CA -1.060 52.996 54.000 0.095 0.000 0.801 434 D CB 2.486 43.357 40.800 0.118 0.000 1.598 434 D HN 0.038 nan 8.370 nan 0.000 0.485 435 P HA -0.086 nan 4.420 nan 0.000 0.214 435 P C 1.399 178.707 177.300 0.014 0.000 1.162 435 P CA 0.598 63.785 63.100 0.145 0.000 0.879 435 P CB 0.307 32.057 31.700 0.084 0.000 0.786 436 V N -0.098 119.806 119.914 -0.016 0.000 2.427 436 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 436 V C 2.537 178.474 176.094 -0.262 0.000 1.051 436 V CA 2.484 64.543 62.300 -0.403 0.000 1.048 436 V CB -1.857 29.809 31.823 -0.262 0.000 0.666 436 V HN 0.188 nan 8.190 nan 0.000 0.456 437 G N -0.266 108.544 108.800 0.015 0.000 2.450 437 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.220 437 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.220 437 G C 1.565 176.523 174.900 0.096 0.000 1.130 437 G CA 1.132 46.317 45.100 0.141 0.000 0.760 437 G HN 0.449 nan 8.290 nan 0.000 0.557 438 L N 0.754 122.002 121.223 0.042 0.000 2.056 438 L HA 0.055 4.395 4.340 -0.001 0.000 0.207 438 L C 2.908 179.657 176.870 -0.201 0.000 1.078 438 L CA 1.295 56.008 54.840 -0.212 0.000 0.749 438 L CB -0.470 41.474 42.059 -0.190 0.000 0.901 438 L HN 0.074 nan 8.230 nan 0.000 0.433 439 V N -0.206 119.547 119.914 -0.269 0.000 2.343 439 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 439 V C 2.643 178.621 176.094 -0.194 0.000 1.051 439 V CA 1.850 63.963 62.300 -0.312 0.000 1.036 439 V CB -0.684 30.734 31.823 -0.676 0.000 0.654 439 V HN 0.454 nan 8.190 nan 0.000 0.451 440 E N 0.497 120.591 120.200 -0.176 0.000 2.072 440 E HA -0.111 4.239 4.350 -0.001 0.000 0.190 440 E C 2.362 178.943 176.600 -0.032 0.000 0.982 440 E CA 1.357 57.718 56.400 -0.064 0.000 0.803 440 E CB -0.575 29.108 29.700 -0.029 0.000 0.755 440 E HN 0.614 nan 8.360 nan 0.000 0.453 441 G N 1.139 109.932 108.800 -0.011 0.000 2.418 441 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 441 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 441 G C 1.518 176.426 174.900 0.014 0.000 1.158 441 G CA 0.629 45.759 45.100 0.049 0.000 0.771 441 G HN 0.115 nan 8.290 nan 0.000 0.545 442 M N 1.220 120.802 119.600 -0.030 0.000 2.279 442 M HA 0.100 4.579 4.480 -0.001 0.000 0.264 442 M C 2.870 179.125 176.300 -0.074 0.000 1.062 442 M CA 0.866 56.146 55.300 -0.033 0.000 1.099 442 M CB -1.101 31.480 32.600 -0.033 0.000 1.394 442 M HN 0.324 nan 8.290 nan 0.000 0.426 443 A N -0.341 122.438 122.820 -0.070 0.000 1.969 443 A HA -0.093 4.227 4.320 -0.001 0.000 0.218 443 A C 1.273 178.787 177.584 -0.117 0.000 1.169 443 A CA 1.018 53.010 52.037 -0.076 0.000 0.635 443 A CB -0.175 18.790 19.000 -0.058 0.000 0.810 443 A HN 0.601 nan 8.150 nan 0.000 0.445 444 Q N -0.072 119.648 119.800 -0.134 0.000 2.965 444 Q HA 0.194 4.534 4.340 -0.001 0.000 0.288 444 Q C -2.627 173.226 176.000 -0.245 0.000 0.974 444 Q CA -1.834 53.871 55.803 -0.162 0.000 0.849 444 Q CB 1.484 30.119 28.738 -0.171 0.000 1.280 444 Q HN 0.343 nan 8.270 nan 0.000 0.441 445 P HA -0.035 nan 4.420 nan 0.000 0.226 445 P C -1.290 175.045 177.300 -1.609 0.000 1.783 445 P CA 0.332 62.686 63.100 -1.243 0.000 0.980 445 P CB -0.405 30.570 31.700 -1.209 0.000 1.967 446 D N -0.358 119.471 120.400 -0.952 0.000 2.581 446 D HA 0.397 5.037 4.640 -0.001 0.000 0.232 446 D C -2.424 173.792 176.300 -0.141 0.000 1.143 446 D CA -2.436 51.211 54.000 -0.588 0.000 0.881 446 D CB 0.980 41.636 40.800 -0.240 0.000 1.500 446 D HN -0.277 nan 8.370 nan 0.000 0.458 447 P HA -0.124 nan 4.420 nan 0.000 0.222 447 P C 0.828 178.175 177.300 0.079 0.000 1.147 447 P CA 0.854 64.093 63.100 0.231 0.000 0.790 447 P CB 0.286 32.094 31.700 0.181 0.000 0.780 448 E N -1.171 118.986 120.200 -0.072 0.000 2.086 448 E HA -0.151 4.198 4.350 -0.001 0.000 0.190 448 E C 1.325 177.805 176.600 -0.201 0.000 0.975 448 E CA 0.865 57.145 56.400 -0.200 0.000 0.813 448 E CB -0.126 29.332 29.700 -0.404 0.000 0.768 448 E HN 0.385 nan 8.360 nan 0.000 0.457 449 H N -1.049 118.038 119.070 0.028 0.000 2.547 449 H HA 0.238 4.794 4.556 -0.001 0.000 0.272 449 H C 0.198 175.581 175.328 0.091 0.000 0.971 449 H CA 0.202 56.269 56.048 0.032 0.000 1.245 449 H CB 0.807 30.561 29.762 -0.014 0.000 1.440 449 H HN -0.091 nan 8.280 nan 0.000 0.540 450 S N -1.050 114.803 115.700 0.256 0.000 2.732 450 S HA 0.431 4.900 4.470 -0.001 0.000 0.293 450 S C -0.623 174.245 174.600 0.446 0.000 1.159 450 S CA -0.910 57.505 58.200 0.359 0.000 0.847 450 S CB 2.527 65.986 63.200 0.431 0.000 1.169 450 S HN 0.137 nan 8.310 nan 0.000 0.501 451 T N 0.865 115.678 114.554 0.433 0.000 2.881 451 T HA 0.409 4.759 4.350 -0.001 0.000 0.290 451 T C -1.336 173.439 174.700 0.126 0.000 1.000 451 T CA -0.527 61.743 62.100 0.284 0.000 0.978 451 T CB 1.217 70.214 68.868 0.214 0.000 0.997 451 T HN 0.604 nan 8.240 nan 0.000 0.443 452 E N 3.085 123.096 120.200 -0.316 0.000 2.289 452 E HA 0.551 4.901 4.350 -0.001 0.000 0.278 452 E C 0.480 176.917 176.600 -0.271 0.000 1.032 452 E CA -0.374 55.574 56.400 -0.755 0.000 0.854 452 E CB 0.761 29.619 29.700 -1.403 0.000 1.046 452 E HN 0.793 nan 8.360 nan 0.000 0.409 453 G N 3.933 112.661 108.800 -0.119 0.000 3.441 453 G HA2 0.065 4.025 3.960 -0.001 0.000 0.195 453 G HA3 0.065 4.025 3.960 -0.001 0.000 0.195 453 G C -0.524 174.359 174.900 -0.028 0.000 1.633 453 G CA -0.571 44.556 45.100 0.044 0.000 0.895 453 G HN 0.575 nan 8.290 nan 0.000 0.654 454 F N 0.894 120.804 119.950 -0.067 0.000 2.589 454 F HA 0.305 4.832 4.527 -0.001 0.000 0.352 454 F C 0.711 176.435 175.800 -0.127 0.000 1.168 454 F CA -1.002 56.943 58.000 -0.091 0.000 1.353 454 F CB 0.513 39.477 39.000 -0.060 0.000 1.116 454 F HN 0.231 nan 8.300 nan 0.000 0.608 455 L N 6.557 127.259 121.223 -0.868 0.000 2.776 455 L HA -0.075 4.265 4.340 -0.001 0.000 0.283 455 L C 0.392 177.091 176.870 -0.286 0.000 1.194 455 L CA 0.805 55.306 54.840 -0.566 0.000 0.947 455 L CB -0.689 40.993 42.059 -0.627 0.000 1.255 455 L HN 0.835 nan 8.230 nan 0.000 0.481 456 D N 1.408 121.689 120.400 -0.198 0.000 2.946 456 D HA -0.215 4.424 4.640 -0.001 0.000 0.202 456 D C 0.243 176.533 176.300 -0.017 0.000 1.068 456 D CA 1.350 55.341 54.000 -0.014 0.000 1.011 456 D CB -1.290 39.550 40.800 0.068 0.000 1.105 456 D HN 0.862 nan 8.370 nan 0.000 0.425 457 A N 0.071 122.779 122.820 -0.187 0.000 2.302 457 A HA 0.464 4.783 4.320 -0.001 0.000 0.295 457 A C -0.439 176.849 177.584 -0.494 0.000 1.235 457 A CA -0.257 51.636 52.037 -0.240 0.000 0.876 457 A CB 0.312 19.222 19.000 -0.149 0.000 1.133 457 A HN 0.167 nan 8.150 nan 0.000 0.533 458 W N 1.861 122.916 121.300 -0.408 0.000 2.529 458 W HA 0.644 5.303 4.660 -0.001 0.000 0.321 458 W C -0.968 175.254 176.519 -0.495 0.000 1.047 458 W CA -0.344 56.819 57.345 -0.303 0.000 1.216 458 W CB 1.373 30.758 29.460 -0.124 0.000 1.357 458 W HN 0.520 nan 8.180 nan 0.000 0.489 459 F N 2.107 122.188 119.950 0.218 0.000 2.444 459 F HA 0.331 4.858 4.527 -0.001 0.000 0.342 459 F C 0.753 176.660 175.800 0.178 0.000 1.121 459 F CA -1.048 57.036 58.000 0.140 0.000 0.997 459 F CB 1.586 40.626 39.000 0.067 0.000 1.130 459 F HN 0.151 nan 8.300 nan 0.000 0.454 460 S N 2.910 118.792 115.700 0.304 0.000 2.549 460 S HA 0.135 4.605 4.470 -0.001 0.000 0.286 460 S C 1.337 176.114 174.600 0.295 0.000 1.314 460 S CA -0.272 58.073 58.200 0.241 0.000 1.062 460 S CB 0.599 63.886 63.200 0.145 0.000 0.865 460 S HN 0.762 nan 8.310 nan 0.000 0.498 461 R N 2.398 123.038 120.500 0.233 0.000 2.173 461 R HA 0.082 4.422 4.340 -0.001 0.000 0.208 461 R C 1.525 177.913 176.300 0.146 0.000 1.035 461 R CA 0.738 56.968 56.100 0.218 0.000 1.004 461 R CB -0.049 30.341 30.300 0.150 0.000 0.917 461 R HN 0.543 nan 8.270 nan 0.000 0.462 462 E N 0.484 120.721 120.200 0.062 0.000 2.216 462 E HA 0.071 4.421 4.350 -0.001 0.000 0.192 462 E C -0.042 176.440 176.600 -0.197 0.000 0.973 462 E CA 0.798 57.168 56.400 -0.051 0.000 0.851 462 E CB 0.468 30.164 29.700 -0.006 0.000 0.804 462 E HN -0.057 nan 8.360 nan 0.000 0.477 463 K N 0.573 120.879 120.400 -0.157 0.000 2.535 463 K HA 0.288 4.608 4.320 -0.001 0.000 0.253 463 K C -1.601 174.923 176.600 -0.128 0.000 0.953 463 K CA -0.481 55.689 56.287 -0.195 0.000 0.863 463 K CB 0.500 32.962 32.500 -0.063 0.000 1.111 463 K HN 0.097 nan 8.250 nan 0.000 0.431 464 H N -0.264 118.796 119.070 -0.017 0.000 2.981 464 H HA 0.420 4.976 4.556 -0.001 0.000 0.327 464 H C -0.413 174.874 175.328 -0.068 0.000 1.342 464 H CA -0.892 55.141 56.048 -0.025 0.000 1.123 464 H CB 0.918 30.683 29.762 0.006 0.000 1.851 464 H HN 0.338 nan 8.280 nan 0.000 0.531 465 C N -0.447 118.920 119.300 0.111 0.000 2.683 465 C HA 0.151 4.611 4.460 -0.001 0.000 0.491 465 C C 2.287 177.253 174.990 -0.041 0.000 1.342 465 C CA 0.281 59.250 59.018 -0.082 0.000 2.476 465 C CB -0.467 26.972 27.740 -0.500 0.000 3.150 465 C HN 0.778 nan 8.230 nan 0.000 0.551 466 L N 2.518 123.785 121.223 0.075 0.000 2.083 466 L HA 0.024 4.363 4.340 -0.001 0.000 0.209 466 L C -0.953 175.901 176.870 -0.027 0.000 1.083 466 L CA 2.351 57.205 54.840 0.023 0.000 0.752 466 L CB -1.489 40.598 42.059 0.048 0.000 0.899 466 L HN 0.132 nan 8.230 nan 0.000 0.433 467 P HA -0.150 nan 4.420 nan 0.000 0.215 467 P C 1.256 178.515 177.300 -0.068 0.000 1.153 467 P CA 1.354 64.371 63.100 -0.139 0.000 0.853 467 P CB 0.124 31.596 31.700 -0.379 0.000 0.788 468 E N -0.759 119.437 120.200 -0.007 0.000 2.072 468 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 468 E C 1.985 178.573 176.600 -0.020 0.000 0.985 468 E CA 0.929 57.322 56.400 -0.012 0.000 0.801 468 E CB -0.886 28.818 29.700 0.006 0.000 0.750 468 E HN 0.216 nan 8.360 nan 0.000 0.452 469 I N -0.018 120.547 120.570 -0.007 0.000 2.226 469 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 469 I C 2.028 178.218 176.117 0.121 0.000 1.100 469 I CA 0.772 62.094 61.300 0.036 0.000 1.374 469 I CB -0.135 37.856 38.000 -0.015 0.000 1.057 469 I HN 0.015 nan 8.210 nan 0.000 0.413 470 V N 0.190 120.187 119.914 0.139 0.000 2.358 470 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 470 V C 2.466 178.630 176.094 0.117 0.000 1.047 470 V CA 2.334 64.771 62.300 0.228 0.000 1.035 470 V CB -0.926 31.042 31.823 0.241 0.000 0.658 470 V HN 0.457 nan 8.190 nan 0.000 0.452 471 T N 0.565 115.089 114.554 -0.050 0.000 2.684 471 T HA -0.182 4.167 4.350 -0.001 0.000 0.267 471 T C 1.843 176.377 174.700 -0.277 0.000 1.036 471 T CA 1.748 63.682 62.100 -0.277 0.000 1.148 471 T CB -0.403 68.252 68.868 -0.354 0.000 0.863 471 T HN 0.425 nan 8.240 nan 0.000 0.436 472 N N 1.017 119.656 118.700 -0.102 0.000 2.223 472 N HA 0.037 4.776 4.740 -0.001 0.000 0.185 472 N C 1.838 177.403 175.510 0.090 0.000 1.016 472 N CA 0.796 53.846 53.050 0.000 0.000 0.863 472 N CB -0.358 38.140 38.487 0.018 0.000 0.983 472 N HN 0.406 nan 8.380 nan 0.000 0.429 473 I N -0.394 120.247 120.570 0.119 0.000 2.286 473 I HA -0.204 3.966 4.170 -0.001 0.000 0.245 473 I C 2.350 178.577 176.117 0.183 0.000 1.104 473 I CA 0.603 61.986 61.300 0.139 0.000 1.397 473 I CB -0.091 37.993 38.000 0.139 0.000 1.072 473 I HN 0.251 nan 8.210 nan 0.000 0.417 474 W N 1.965 123.262 121.300 -0.006 0.000 2.355 474 W HA -0.204 4.456 4.660 -0.001 0.000 0.309 474 W C 2.514 179.102 176.519 0.114 0.000 1.206 474 W CA 1.828 59.185 57.345 0.020 0.000 1.284 474 W CB -0.794 28.651 29.460 -0.025 0.000 1.145 474 W HN 0.301 nan 8.180 nan 0.000 0.502 475 H N -1.473 117.810 119.070 0.355 0.000 2.389 475 H HA -0.093 4.462 4.556 -0.001 0.000 0.299 475 H C 2.432 177.844 175.328 0.141 0.000 1.081 475 H CA 0.985 57.164 56.048 0.218 0.000 1.345 475 H CB -0.533 29.301 29.762 0.120 0.000 1.393 475 H HN 0.191 nan 8.280 nan 0.000 0.520 476 G N 0.749 109.698 108.800 0.249 0.000 2.418 476 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.217 476 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.217 476 G C 1.666 176.629 174.900 0.106 0.000 1.158 476 G CA 0.540 45.728 45.100 0.146 0.000 0.771 476 G HN 0.299 nan 8.290 nan 0.000 0.545 477 R N 0.291 120.846 120.500 0.092 0.000 2.092 477 R HA -0.064 4.275 4.340 -0.001 0.000 0.231 477 R C 1.892 178.208 176.300 0.027 0.000 1.119 477 R CA 1.621 57.734 56.100 0.023 0.000 0.970 477 R CB -0.248 30.017 30.300 -0.059 0.000 0.864 477 R HN 0.166 nan 8.270 nan 0.000 0.440 478 D N 0.323 120.772 120.400 0.081 0.000 2.144 478 D HA -0.169 4.470 4.640 -0.001 0.000 0.200 478 D C 1.724 178.061 176.300 0.061 0.000 0.978 478 D CA 1.229 55.276 54.000 0.078 0.000 0.833 478 D CB -0.120 40.777 40.800 0.162 0.000 0.961 478 D HN 0.312 nan 8.370 nan 0.000 0.470 479 E N 0.949 121.193 120.200 0.073 0.000 2.106 479 E HA -0.082 4.268 4.350 -0.001 0.000 0.192 479 E C 1.872 178.498 176.600 0.043 0.000 0.984 479 E CA 1.311 57.742 56.400 0.053 0.000 0.806 479 E CB -0.227 29.509 29.700 0.060 0.000 0.750 479 E HN 0.145 nan 8.360 nan 0.000 0.458 480 A N 0.701 123.548 122.820 0.044 0.000 1.902 480 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 480 A C 2.176 179.775 177.584 0.025 0.000 1.181 480 A CA 1.828 53.886 52.037 0.035 0.000 0.623 480 A CB -0.546 18.473 19.000 0.032 0.000 0.818 480 A HN 0.238 nan 8.150 nan 0.000 0.443 481 K N -0.575 119.835 120.400 0.017 0.000 2.026 481 K HA -0.152 4.168 4.320 -0.001 0.000 0.208 481 K C 2.345 178.952 176.600 0.013 0.000 1.048 481 K CA 1.576 57.867 56.287 0.007 0.000 0.929 481 K CB -0.183 32.315 32.500 -0.005 0.000 0.713 481 K HN 0.423 nan 8.250 nan 0.000 0.439 482 R N 0.513 121.024 120.500 0.019 0.000 2.120 482 R HA -0.136 4.203 4.340 -0.001 0.000 0.234 482 R C 1.499 177.811 176.300 0.019 0.000 1.123 482 R CA 1.684 57.795 56.100 0.018 0.000 0.975 482 R CB 0.072 30.385 30.300 0.021 0.000 0.866 482 R HN 0.302 nan 8.270 nan 0.000 0.446 483 Q N -1.103 118.711 119.800 0.023 0.000 2.365 483 Q HA 0.127 4.466 4.340 -0.001 0.000 0.203 483 Q C 0.486 176.501 176.000 0.024 0.000 0.929 483 Q CA 0.393 56.211 55.803 0.025 0.000 0.948 483 Q CB 0.981 29.737 28.738 0.030 0.000 1.043 483 Q HN 0.606 nan 8.270 nan 0.000 0.505 484 G N 2.194 111.007 108.800 0.022 0.000 2.203 484 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.263 484 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.263 484 G C -0.029 174.888 174.900 0.029 0.000 1.012 484 G CA 0.300 45.414 45.100 0.022 0.000 0.749 484 G HN 0.348 nan 8.290 nan 0.000 0.512 485 N N 0.594 119.313 118.700 0.031 0.000 2.719 485 N HA 0.190 4.930 4.740 -0.001 0.000 0.243 485 N C 1.524 177.059 175.510 0.041 0.000 1.104 485 N CA 0.308 53.381 53.050 0.038 0.000 0.981 485 N CB 0.495 39.005 38.487 0.038 0.000 1.290 485 N HN 0.616 nan 8.380 nan 0.000 0.513 486 K N 4.447 124.877 120.400 0.049 0.000 2.026 486 K HA -0.027 4.292 4.320 -0.001 0.000 0.208 486 K C -1.071 175.578 176.600 0.082 0.000 1.048 486 K CA 1.011 57.331 56.287 0.056 0.000 0.929 486 K CB -0.513 32.023 32.500 0.060 0.000 0.713 486 K HN 0.291 nan 8.250 nan 0.000 0.439 487 P HA -0.176 nan 4.420 nan 0.000 0.216 487 P C 1.720 179.062 177.300 0.070 0.000 1.153 487 P CA 0.958 64.145 63.100 0.146 0.000 0.848 487 P CB -0.098 31.701 31.700 0.165 0.000 0.787 488 L N 0.221 121.471 121.223 0.044 0.000 2.056 488 L HA -0.061 4.279 4.340 -0.001 0.000 0.207 488 L C 2.665 179.544 176.870 0.016 0.000 1.078 488 L CA 2.014 56.867 54.840 0.021 0.000 0.749 488 L CB -1.723 40.355 42.059 0.032 0.000 0.901 488 L HN -0.087 nan 8.230 nan 0.000 0.433 489 S N -1.290 114.423 115.700 0.023 0.000 2.383 489 S HA -0.252 4.218 4.470 -0.001 0.000 0.229 489 S C 2.032 176.630 174.600 -0.004 0.000 1.030 489 S CA 1.605 59.807 58.200 0.004 0.000 1.002 489 S CB -0.221 62.980 63.200 0.002 0.000 0.829 489 S HN 0.650 nan 8.310 nan 0.000 0.467 490 Q N -0.081 119.739 119.800 0.033 0.000 2.016 490 Q HA -0.050 4.290 4.340 -0.001 0.000 0.200 490 Q C 2.454 178.486 176.000 0.052 0.000 0.978 490 Q CA 1.393 57.233 55.803 0.063 0.000 0.833 490 Q CB -0.395 28.445 28.738 0.169 0.000 0.895 490 Q HN 0.676 nan 8.270 nan 0.000 0.427 491 A N 0.659 123.490 122.820 0.018 0.000 1.908 491 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 491 A C 2.033 179.591 177.584 -0.042 0.000 1.181 491 A CA 1.195 53.201 52.037 -0.051 0.000 0.627 491 A CB -0.767 18.148 19.000 -0.143 0.000 0.818 491 A HN 0.372 nan 8.150 nan 0.000 0.445 492 L N -0.722 120.480 121.223 -0.035 0.000 2.083 492 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 492 L C 2.645 179.467 176.870 -0.081 0.000 1.083 492 L CA 1.934 56.749 54.840 -0.042 0.000 0.752 492 L CB -0.346 41.702 42.059 -0.018 0.000 0.899 492 L HN 0.509 nan 8.230 nan 0.000 0.433 493 K N 0.827 121.175 120.400 -0.086 0.000 2.057 493 K HA -0.168 4.152 4.320 -0.001 0.000 0.206 493 K C 2.115 178.645 176.600 -0.116 0.000 1.050 493 K CA 1.336 57.546 56.287 -0.129 0.000 0.935 493 K CB -0.075 32.349 32.500 -0.127 0.000 0.715 493 K HN 0.188 nan 8.250 nan 0.000 0.439 494 I N 1.076 121.610 120.570 -0.061 0.000 2.163 494 I HA -0.287 3.883 4.170 -0.001 0.000 0.243 494 I C 2.487 178.554 176.117 -0.083 0.000 1.085 494 I CA 1.157 62.441 61.300 -0.026 0.000 1.347 494 I CB -0.158 37.898 38.000 0.093 0.000 1.044 494 I HN 0.295 nan 8.210 nan 0.000 0.408 495 I N 0.147 120.639 120.570 -0.131 0.000 2.315 495 I HA -0.329 3.840 4.170 -0.001 0.000 0.248 495 I C 2.539 178.290 176.117 -0.609 0.000 1.117 495 I CA 1.287 62.434 61.300 -0.256 0.000 1.404 495 I CB 0.067 37.962 38.000 -0.176 0.000 1.071 495 I HN 0.213 nan 8.210 nan 0.000 0.419 496 M N 0.468 119.793 119.600 -0.458 0.000 2.080 496 M HA -0.256 4.223 4.480 -0.001 0.000 0.260 496 M C 1.504 177.621 176.300 -0.306 0.000 1.068 496 M CA 1.916 56.940 55.300 -0.460 0.000 1.109 496 M CB -0.271 32.227 32.600 -0.170 0.000 1.342 496 M HN 0.235 nan 8.290 nan 0.000 0.405 497 N N 0.026 118.623 118.700 -0.171 0.000 2.461 497 N HA 0.061 4.801 4.740 -0.001 0.000 0.188 497 N C 1.036 176.568 175.510 0.037 0.000 1.134 497 N CA 0.733 53.762 53.050 -0.035 0.000 0.878 497 N CB 0.232 38.685 38.487 -0.057 0.000 0.972 497 N HN 0.419 nan 8.380 nan 0.000 0.456 498 A N -0.116 122.674 122.820 -0.051 0.000 2.147 498 A HA 0.093 4.413 4.320 -0.001 0.000 0.211 498 A C 1.415 179.144 177.584 0.241 0.000 1.160 498 A CA 0.099 52.175 52.037 0.066 0.000 0.781 498 A CB -0.250 18.762 19.000 0.020 0.000 0.842 498 A HN 0.036 nan 8.150 nan 0.000 0.475 499 F N -1.057 119.025 119.950 0.219 0.000 2.171 499 F HA -0.136 4.390 4.527 -0.001 0.000 0.300 499 F C 2.094 178.004 175.800 0.183 0.000 1.090 499 F CA 0.722 58.867 58.000 0.241 0.000 1.293 499 F CB -1.354 37.822 39.000 0.292 0.000 1.013 499 F HN 0.504 nan 8.300 nan 0.000 0.486 500 Y N 0.857 121.334 120.300 0.295 0.000 2.097 500 Y HA -0.127 4.423 4.550 -0.001 0.000 0.282 500 Y C 2.567 178.536 175.900 0.115 0.000 1.152 500 Y CA 1.687 59.888 58.100 0.167 0.000 1.136 500 Y CB -0.983 37.635 38.460 0.263 0.000 0.975 500 Y HN 0.015 nan 8.280 nan 0.000 0.498 501 G N -0.466 108.398 108.800 0.107 0.000 2.442 501 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.219 501 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.219 501 G C 1.745 176.606 174.900 -0.066 0.000 1.141 501 G CA 1.384 46.463 45.100 -0.035 0.000 0.763 501 G HN 0.398 nan 8.290 nan 0.000 0.554 502 V N 0.839 120.754 119.914 0.001 0.000 2.307 502 V HA -0.094 4.026 4.120 -0.001 0.000 0.245 502 V C 2.883 178.859 176.094 -0.196 0.000 1.045 502 V CA 1.454 63.705 62.300 -0.082 0.000 1.024 502 V CB -0.348 31.440 31.823 -0.058 0.000 0.651 502 V HN 0.358 nan 8.190 nan 0.000 0.449 503 L N 0.342 121.426 121.223 -0.231 0.000 2.275 503 L HA -0.036 4.303 4.340 -0.001 0.000 0.215 503 L C 2.244 179.060 176.870 -0.090 0.000 1.119 503 L CA 1.362 56.063 54.840 -0.231 0.000 0.790 503 L CB -0.721 41.209 42.059 -0.214 0.000 0.919 503 L HN 0.478 nan 8.230 nan 0.000 0.443 504 G N -1.643 107.076 108.800 -0.136 0.000 3.042 504 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.212 504 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.212 504 G C 0.513 175.478 174.900 0.107 0.000 1.166 504 G CA 0.080 45.166 45.100 -0.024 0.000 0.767 504 G HN 0.166 nan 8.290 nan 0.000 0.546 505 T N -0.352 114.215 114.554 0.020 0.000 2.823 505 T HA 0.383 4.733 4.350 -0.001 0.000 0.279 505 T C 1.788 176.239 174.700 -0.415 0.000 0.998 505 T CA 0.258 62.234 62.100 -0.206 0.000 0.994 505 T CB 1.388 70.169 68.868 -0.145 0.000 0.960 505 T HN 0.084 nan 8.240 nan 0.000 0.448 506 T N 1.879 115.982 114.554 -0.751 0.000 3.098 506 T HA 0.071 4.420 4.350 -0.001 0.000 0.266 506 T C 1.982 176.496 174.700 -0.311 0.000 1.145 506 T CA 0.722 62.388 62.100 -0.724 0.000 1.092 506 T CB -0.265 68.209 68.868 -0.658 0.000 0.908 506 T HN 0.600 nan 8.240 nan 0.000 0.526 507 A N 0.083 122.762 122.820 -0.235 0.000 2.168 507 A HA 0.231 4.551 4.320 -0.001 0.000 0.215 507 A C 1.448 178.966 177.584 -0.110 0.000 1.152 507 A CA 0.208 52.156 52.037 -0.149 0.000 0.716 507 A CB -0.900 18.027 19.000 -0.121 0.000 0.794 507 A HN 0.705 nan 8.150 nan 0.000 0.465 508 C N 1.260 120.497 119.300 -0.105 0.000 2.319 508 C HA 0.500 4.960 4.460 -0.001 0.000 0.335 508 C C 2.100 177.026 174.990 -0.107 0.000 1.274 508 C CA -0.674 58.292 59.018 -0.087 0.000 1.806 508 C CB 0.362 28.040 27.740 -0.103 0.000 2.329 508 C HN 0.714 nan 8.230 nan 0.000 0.524 509 R N 2.680 123.049 120.500 -0.219 0.000 2.200 509 R HA -0.102 4.237 4.340 -0.001 0.000 0.234 509 R C 0.510 176.533 176.300 -0.462 0.000 1.127 509 R CA 1.825 57.712 56.100 -0.354 0.000 0.989 509 R CB -0.494 29.514 30.300 -0.487 0.000 0.869 509 R HN 0.700 nan 8.270 nan 0.000 0.459 510 F N 0.559 120.422 119.950 -0.145 0.000 2.797 510 F HA 0.191 4.717 4.527 -0.001 0.000 0.302 510 F C 0.682 176.399 175.800 -0.138 0.000 1.130 510 F CA -1.077 56.799 58.000 -0.205 0.000 1.387 510 F CB -0.345 38.486 39.000 -0.282 0.000 1.107 510 F HN -0.121 nan 8.300 nan 0.000 0.577 511 F N 2.396 122.287 119.950 -0.100 0.000 2.623 511 F HA 0.125 4.651 4.527 -0.001 0.000 0.383 511 F C 0.192 175.947 175.800 -0.075 0.000 1.077 511 F CA 0.306 58.242 58.000 -0.107 0.000 1.268 511 F CB 0.178 39.104 39.000 -0.124 0.000 1.053 511 F HN -0.032 nan 8.300 nan 0.000 0.571 512 D N 7.737 127.515 120.400 -1.037 0.000 2.931 512 D HA 0.200 4.839 4.640 -0.001 0.000 0.215 512 D C -2.355 173.302 176.300 -1.073 0.000 1.297 512 D CA -1.503 52.003 54.000 -0.822 0.000 0.892 512 D CB 2.464 43.068 40.800 -0.327 0.000 1.642 512 D HN 0.155 nan 8.370 nan 0.000 0.560 513 P HA -0.107 nan 4.420 nan 0.000 0.217 513 P C 1.129 178.104 177.300 -0.541 0.000 1.148 513 P CA 1.109 63.793 63.100 -0.692 0.000 0.834 513 P CB 0.282 31.618 31.700 -0.608 0.000 0.783 514 R N -1.155 119.086 120.500 -0.432 0.000 2.189 514 R HA -0.020 4.320 4.340 -0.001 0.000 0.223 514 R C 2.186 178.416 176.300 -0.116 0.000 1.092 514 R CA 0.806 56.755 56.100 -0.253 0.000 0.989 514 R CB -0.720 29.507 30.300 -0.122 0.000 0.876 514 R HN 0.271 nan 8.270 nan 0.000 0.457 515 L N -0.338 120.787 121.223 -0.163 0.000 2.007 515 L HA -0.062 4.278 4.340 -0.001 0.000 0.205 515 L C 2.642 179.426 176.870 -0.143 0.000 1.073 515 L CA 1.293 56.094 54.840 -0.065 0.000 0.744 515 L CB -0.586 41.405 42.059 -0.114 0.000 0.898 515 L HN 0.171 nan 8.230 nan 0.000 0.435 516 A N -0.776 121.907 122.820 -0.230 0.000 1.930 516 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 516 A C 2.490 179.971 177.584 -0.172 0.000 1.175 516 A CA 1.963 53.881 52.037 -0.197 0.000 0.627 516 A CB -0.642 18.179 19.000 -0.298 0.000 0.815 516 A HN 0.359 nan 8.150 nan 0.000 0.443 517 S N 0.035 115.560 115.700 -0.292 0.000 2.368 517 S HA -0.124 4.346 4.470 -0.001 0.000 0.225 517 S C 2.287 176.746 174.600 -0.235 0.000 1.030 517 S CA 1.493 59.452 58.200 -0.402 0.000 0.999 517 S CB -0.278 62.333 63.200 -0.981 0.000 0.844 517 S HN 0.636 nan 8.310 nan 0.000 0.459 518 S N 1.187 116.809 115.700 -0.130 0.000 2.382 518 S HA 0.031 4.500 4.470 -0.001 0.000 0.228 518 S C 1.741 176.238 174.600 -0.171 0.000 1.027 518 S CA 0.895 59.084 58.200 -0.018 0.000 0.991 518 S CB -0.302 62.962 63.200 0.106 0.000 0.823 518 S HN 0.412 nan 8.310 nan 0.000 0.469 519 I N 1.015 121.455 120.570 -0.217 0.000 2.233 519 I HA -0.144 4.025 4.170 -0.001 0.000 0.243 519 I C 2.502 178.350 176.117 -0.447 0.000 1.093 519 I CA 1.102 62.202 61.300 -0.333 0.000 1.380 519 I CB -0.720 37.080 38.000 -0.334 0.000 1.067 519 I HN 0.230 nan 8.210 nan 0.000 0.413 520 T N 0.908 115.228 114.554 -0.391 0.000 2.708 520 T HA -0.151 4.198 4.350 -0.001 0.000 0.266 520 T C 1.933 176.290 174.700 -0.571 0.000 1.037 520 T CA 1.278 63.120 62.100 -0.431 0.000 1.146 520 T CB -0.115 68.619 68.868 -0.224 0.000 0.865 520 T HN 0.140 nan 8.240 nan 0.000 0.435 521 M N 0.832 120.214 119.600 -0.363 0.000 2.175 521 M HA 0.063 4.543 4.480 -0.001 0.000 0.264 521 M C 2.370 178.544 176.300 -0.210 0.000 1.063 521 M CA 1.240 56.396 55.300 -0.241 0.000 1.119 521 M CB -0.971 31.656 32.600 0.044 0.000 1.377 521 M HN 0.084 nan 8.290 nan 0.000 0.415 522 R N 0.703 121.035 120.500 -0.278 0.000 2.092 522 R HA -0.025 4.315 4.340 -0.001 0.000 0.231 522 R C 2.185 178.308 176.300 -0.295 0.000 1.119 522 R CA 1.897 57.774 56.100 -0.372 0.000 0.970 522 R CB -1.223 28.727 30.300 -0.582 0.000 0.864 522 R HN 0.372 nan 8.270 nan 0.000 0.440 523 G N -0.722 107.932 108.800 -0.244 0.000 2.418 523 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.217 523 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.217 523 G C 1.158 176.037 174.900 -0.036 0.000 1.158 523 G CA 1.154 46.188 45.100 -0.110 0.000 0.771 523 G HN 0.547 nan 8.290 nan 0.000 0.545 524 H N -0.558 118.494 119.070 -0.030 0.000 2.353 524 H HA -0.077 4.478 4.556 -0.001 0.000 0.300 524 H C 2.611 177.857 175.328 -0.136 0.000 1.090 524 H CA 1.176 57.227 56.048 0.004 0.000 1.327 524 H CB 0.079 29.952 29.762 0.186 0.000 1.383 524 H HN 0.396 nan 8.280 nan 0.000 0.508 525 Q N 1.143 120.975 119.800 0.055 0.000 2.050 525 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 525 Q C 2.270 178.294 176.000 0.041 0.000 0.980 525 Q CA 1.466 57.290 55.803 0.035 0.000 0.840 525 Q CB -0.011 28.728 28.738 0.002 0.000 0.898 525 Q HN 0.500 nan 8.270 nan 0.000 0.424 526 I N 0.331 120.876 120.570 -0.043 0.000 2.226 526 I HA -0.302 3.867 4.170 -0.001 0.000 0.245 526 I C 2.368 178.510 176.117 0.042 0.000 1.100 526 I CA 0.836 62.145 61.300 0.014 0.000 1.374 526 I CB -0.148 37.617 38.000 -0.392 0.000 1.057 526 I HN 0.347 nan 8.210 nan 0.000 0.413 527 M N -0.121 119.343 119.600 -0.227 0.000 2.175 527 M HA -0.145 4.335 4.480 -0.001 0.000 0.264 527 M C 2.373 178.450 176.300 -0.371 0.000 1.063 527 M CA 1.659 56.715 55.300 -0.405 0.000 1.119 527 M CB -1.161 30.811 32.600 -1.047 0.000 1.377 527 M HN 0.195 nan 8.290 nan 0.000 0.415 528 R N -0.321 119.976 120.500 -0.337 0.000 2.073 528 R HA -0.185 4.154 4.340 -0.001 0.000 0.234 528 R C 2.236 178.539 176.300 0.005 0.000 1.134 528 R CA 1.388 57.458 56.100 -0.050 0.000 0.952 528 R CB -0.450 29.889 30.300 0.065 0.000 0.850 528 R HN 0.296 nan 8.270 nan 0.000 0.433 529 Q N 0.511 120.336 119.800 0.041 0.000 2.124 529 Q HA -0.107 4.233 4.340 -0.001 0.000 0.202 529 Q C 1.731 177.665 176.000 -0.109 0.000 0.977 529 Q CA 2.082 57.869 55.803 -0.027 0.000 0.850 529 Q CB -0.280 28.510 28.738 0.086 0.000 0.901 529 Q HN 0.206 nan 8.270 nan 0.000 0.429 530 T N 0.409 115.004 114.554 0.069 0.000 2.746 530 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 530 T C 1.571 176.272 174.700 0.002 0.000 1.039 530 T CA 1.543 63.695 62.100 0.086 0.000 1.142 530 T CB -0.240 68.797 68.868 0.281 0.000 0.866 530 T HN 0.413 nan 8.240 nan 0.000 0.444 531 K N 1.237 121.650 120.400 0.021 0.000 2.057 531 K HA -0.035 4.284 4.320 -0.001 0.000 0.207 531 K C 2.484 179.080 176.600 -0.008 0.000 1.049 531 K CA 1.279 57.588 56.287 0.035 0.000 0.931 531 K CB -0.338 32.215 32.500 0.087 0.000 0.714 531 K HN 0.270 nan 8.250 nan 0.000 0.440 532 A N 1.371 124.160 122.820 -0.053 0.000 1.902 532 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 532 A C 2.133 179.630 177.584 -0.146 0.000 1.181 532 A CA 1.284 53.267 52.037 -0.090 0.000 0.623 532 A CB -0.588 18.342 19.000 -0.117 0.000 0.818 532 A HN 0.338 nan 8.150 nan 0.000 0.443 533 L N -0.653 120.428 121.223 -0.236 0.000 2.046 533 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 533 L C 2.466 179.289 176.870 -0.080 0.000 1.077 533 L CA 1.262 55.950 54.840 -0.253 0.000 0.747 533 L CB -0.480 41.331 42.059 -0.413 0.000 0.896 533 L HN 0.381 nan 8.230 nan 0.000 0.432 534 I N -0.468 120.077 120.570 -0.041 0.000 2.252 534 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 534 I C 2.403 178.538 176.117 0.030 0.000 1.102 534 I CA 1.264 62.577 61.300 0.022 0.000 1.385 534 I CB -0.266 37.752 38.000 0.031 0.000 1.064 534 I HN 0.275 nan 8.210 nan 0.000 0.414 535 E N 0.986 121.188 120.200 0.003 0.000 2.150 535 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 535 E C 2.257 178.820 176.600 -0.061 0.000 0.985 535 E CA 1.117 57.511 56.400 -0.009 0.000 0.814 535 E CB -0.138 29.566 29.700 0.006 0.000 0.752 535 E HN 0.501 nan 8.360 nan 0.000 0.466 536 A N 1.071 123.847 122.820 -0.074 0.000 2.067 536 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 536 A C 1.926 179.432 177.584 -0.131 0.000 1.158 536 A CA 0.858 52.839 52.037 -0.093 0.000 0.661 536 A CB 0.011 18.956 19.000 -0.092 0.000 0.801 536 A HN 0.051 nan 8.150 nan 0.000 0.452 537 Q N -1.291 118.426 119.800 -0.137 0.000 2.403 537 Q HA 0.164 4.503 4.340 -0.001 0.000 0.203 537 Q C 1.121 176.908 176.000 -0.354 0.000 0.932 537 Q CA 0.742 56.428 55.803 -0.194 0.000 0.945 537 Q CB 0.202 28.879 28.738 -0.102 0.000 1.045 537 Q HN 0.947 nan 8.270 nan 0.000 0.511 538 G N -0.050 108.546 108.800 -0.340 0.000 2.141 538 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.231 538 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.231 538 G C -0.355 174.151 174.900 -0.657 0.000 0.984 538 G CA -0.124 44.680 45.100 -0.494 0.000 0.660 538 G HN 0.254 nan 8.290 nan 0.000 0.525 539 Y N 0.389 120.626 120.300 -0.105 0.000 2.602 539 Y HA 0.675 5.225 4.550 -0.001 0.000 0.330 539 Y C 0.129 176.010 175.900 -0.032 0.000 1.114 539 Y CA -1.331 56.706 58.100 -0.105 0.000 1.182 539 Y CB 1.184 39.569 38.460 -0.125 0.000 1.305 539 Y HN -0.020 nan 8.280 nan 0.000 0.502 540 D N 0.602 121.128 120.400 0.209 0.000 2.217 540 D HA 0.385 5.025 4.640 -0.001 0.000 0.243 540 D C -1.060 175.367 176.300 0.212 0.000 1.054 540 D CA -0.304 53.833 54.000 0.229 0.000 0.838 540 D CB 2.139 43.175 40.800 0.394 0.000 1.162 540 D HN 0.131 nan 8.370 nan 0.000 0.472 541 V N 3.872 123.882 119.914 0.160 0.000 2.348 541 V HA 0.153 4.273 4.120 -0.001 0.000 0.270 541 V C 1.542 177.721 176.094 0.141 0.000 1.037 541 V CA -0.413 61.968 62.300 0.135 0.000 0.872 541 V CB 0.910 32.806 31.823 0.123 0.000 1.002 541 V HN 0.497 nan 8.190 nan 0.000 0.464 542 I N 2.119 122.754 120.570 0.107 0.000 3.860 542 I HA 0.399 4.569 4.170 -0.001 0.000 0.319 542 I C 0.179 176.406 176.117 0.184 0.000 1.279 542 I CA 0.466 61.809 61.300 0.073 0.000 1.220 542 I CB 0.210 38.112 38.000 -0.164 0.000 1.027 542 I HN 0.515 nan 8.210 nan 0.000 0.428 543 Y N 0.727 121.057 120.300 0.050 0.000 2.687 543 Y HA 0.647 5.197 4.550 -0.001 0.000 0.338 543 Y C -1.075 174.965 175.900 0.233 0.000 1.189 543 Y CA -1.009 57.111 58.100 0.034 0.000 1.097 543 Y CB 1.363 39.680 38.460 -0.238 0.000 1.342 543 Y HN 0.036 nan 8.280 nan 0.000 0.461 544 G N 2.810 111.154 108.800 -0.759 0.000 2.768 544 G HA2 0.513 4.473 3.960 -0.001 0.000 0.297 544 G HA3 0.513 4.473 3.960 -0.001 0.000 0.297 544 G C -1.997 172.548 174.900 -0.591 0.000 1.430 544 G CA -0.377 44.522 45.100 -0.335 0.000 1.030 544 G HN 0.765 nan 8.290 nan 0.000 0.553 545 D N -0.695 119.600 120.400 -0.175 0.000 2.720 545 D HA 0.479 5.119 4.640 -0.001 0.000 0.232 545 D C 1.531 177.956 176.300 0.209 0.000 1.173 545 D CA 0.337 54.320 54.000 -0.028 0.000 1.082 545 D CB -0.279 40.567 40.800 0.077 0.000 1.235 545 D HN 0.190 nan 8.370 nan 0.000 0.636 546 T N -0.736 113.921 114.554 0.171 0.000 2.665 546 T HA -0.108 4.241 4.350 -0.001 0.000 0.268 546 T C 0.471 175.234 174.700 0.105 0.000 1.035 546 T CA 2.242 64.438 62.100 0.160 0.000 1.151 546 T CB -0.493 68.398 68.868 0.039 0.000 0.862 546 T HN 0.707 nan 8.240 nan 0.000 0.438 547 D N -0.878 119.572 120.400 0.084 0.000 2.538 547 D HA 0.201 4.841 4.640 -0.001 0.000 0.241 547 D C -0.272 176.110 176.300 0.137 0.000 1.297 547 D CA -0.284 53.790 54.000 0.124 0.000 0.804 547 D CB 0.046 40.867 40.800 0.035 0.000 1.122 547 D HN 0.090 nan 8.370 nan 0.000 0.519 548 S N -0.370 115.398 115.700 0.114 0.000 2.500 548 S HA 0.719 5.188 4.470 -0.001 0.000 0.301 548 S C -0.637 174.002 174.600 0.064 0.000 1.092 548 S CA -0.554 57.665 58.200 0.032 0.000 1.030 548 S CB 2.004 65.236 63.200 0.054 0.000 1.031 548 S HN 0.101 nan 8.310 nan 0.000 0.483 549 T N 2.906 117.404 114.554 -0.094 0.000 2.824 549 T HA 0.540 4.890 4.350 -0.001 0.000 0.282 549 T C -0.997 173.593 174.700 -0.183 0.000 0.993 549 T CA -0.341 61.763 62.100 0.007 0.000 0.967 549 T CB 0.350 69.215 68.868 -0.005 0.000 0.960 549 T HN 0.400 nan 8.240 nan 0.000 0.441 550 F N 2.015 121.925 119.950 -0.067 0.000 2.388 550 F HA 0.553 5.080 4.527 -0.001 0.000 0.358 550 F C 0.041 175.749 175.800 -0.153 0.000 1.122 550 F CA -1.024 56.878 58.000 -0.163 0.000 1.056 550 F CB 1.264 40.143 39.000 -0.203 0.000 1.155 550 F HN 0.169 nan 8.300 nan 0.000 0.461 551 V N 2.838 122.705 119.914 -0.079 0.000 2.417 551 V HA 0.188 4.307 4.120 -0.001 0.000 0.291 551 V C -0.899 175.183 176.094 -0.020 0.000 1.024 551 V CA -0.904 61.367 62.300 -0.047 0.000 0.861 551 V CB 1.378 33.128 31.823 -0.121 0.000 0.985 551 V HN 0.703 nan 8.190 nan 0.000 0.436 552 W N 5.726 126.927 121.300 -0.164 0.000 2.338 552 W HA 0.484 5.143 4.660 -0.001 0.000 0.307 552 W C 0.443 176.963 176.519 0.002 0.000 1.167 552 W CA -1.291 55.976 57.345 -0.130 0.000 1.208 552 W CB 0.998 30.375 29.460 -0.138 0.000 1.228 552 W HN 0.507 nan 8.180 nan 0.000 0.499 553 L N 7.055 128.185 121.223 -0.154 0.000 2.645 553 L HA 0.042 4.381 4.340 -0.001 0.000 0.234 553 L C 0.949 177.603 176.870 -0.360 0.000 1.165 553 L CA 0.113 54.806 54.840 -0.245 0.000 0.944 553 L CB -0.771 41.050 42.059 -0.395 0.000 1.149 553 L HN 0.556 nan 8.230 nan 0.000 0.446 554 K N 0.307 119.934 120.400 -1.288 0.000 3.016 554 K HA -0.182 4.137 4.320 -0.001 0.000 0.262 554 K C 0.394 176.617 176.600 -0.628 0.000 1.043 554 K CA 0.433 55.746 56.287 -1.624 0.000 0.761 554 K CB -1.873 30.136 32.500 -0.819 0.000 1.230 554 K HN 0.641 nan 8.250 nan 0.000 0.485 555 G N -1.271 107.399 108.800 -0.216 0.000 2.345 555 G HA2 0.393 4.352 3.960 -0.001 0.000 0.310 555 G HA3 0.393 4.352 3.960 -0.001 0.000 0.310 555 G C -1.316 173.726 174.900 0.236 0.000 1.476 555 G CA -0.544 44.623 45.100 0.112 0.000 0.978 555 G HN 0.522 nan 8.290 nan 0.000 0.656 556 A N 0.517 123.440 122.820 0.172 0.000 2.492 556 A HA 0.657 4.976 4.320 -0.001 0.000 0.254 556 A C 0.001 177.617 177.584 0.054 0.000 1.091 556 A CA 0.468 52.608 52.037 0.172 0.000 0.768 556 A CB 0.006 19.078 19.000 0.119 0.000 1.028 556 A HN 0.941 nan 8.150 nan 0.000 0.498 557 H N 0.545 119.661 119.070 0.077 0.000 2.679 557 H HA 0.523 5.079 4.556 -0.001 0.000 0.367 557 H C 0.581 175.916 175.328 0.011 0.000 1.162 557 H CA 0.360 56.409 56.048 0.001 0.000 1.181 557 H CB 1.768 31.477 29.762 -0.088 0.000 1.693 557 H HN 0.794 nan 8.280 nan 0.000 0.538 558 S N 1.161 116.911 115.700 0.083 0.000 2.593 558 S HA 0.023 4.493 4.470 -0.001 0.000 0.269 558 S C 1.067 175.677 174.600 0.016 0.000 1.334 558 S CA -0.593 57.640 58.200 0.054 0.000 1.015 558 S CB 0.921 64.133 63.200 0.020 0.000 0.912 558 S HN 0.667 nan 8.310 nan 0.000 0.541 559 E N 1.207 121.438 120.200 0.051 0.000 2.085 559 E HA -0.193 4.156 4.350 -0.001 0.000 0.194 559 E C 1.875 178.456 176.600 -0.030 0.000 0.994 559 E CA 1.670 58.095 56.400 0.042 0.000 0.801 559 E CB -0.480 29.274 29.700 0.089 0.000 0.743 559 E HN 0.951 nan 8.360 nan 0.000 0.453 560 E N 0.773 120.963 120.200 -0.017 0.000 2.051 560 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 560 E C 2.056 178.617 176.600 -0.064 0.000 0.991 560 E CA 1.164 57.547 56.400 -0.029 0.000 0.799 560 E CB 0.005 29.696 29.700 -0.015 0.000 0.748 560 E HN 0.236 nan 8.360 nan 0.000 0.449 561 E N -0.419 119.745 120.200 -0.059 0.000 2.107 561 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 561 E C 1.918 178.412 176.600 -0.176 0.000 0.982 561 E CA 0.743 57.104 56.400 -0.065 0.000 0.809 561 E CB -0.058 29.661 29.700 0.033 0.000 0.756 561 E HN 0.354 nan 8.360 nan 0.000 0.459 562 A N 1.147 123.801 122.820 -0.277 0.000 1.902 562 A HA -0.094 4.225 4.320 -0.001 0.000 0.217 562 A C 2.347 179.649 177.584 -0.470 0.000 1.181 562 A CA 1.652 53.377 52.037 -0.520 0.000 0.623 562 A CB -0.620 17.745 19.000 -1.059 0.000 0.818 562 A HN 0.363 nan 8.150 nan 0.000 0.443 563 A N -0.283 122.360 122.820 -0.296 0.000 1.930 563 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 563 A C 2.104 179.485 177.584 -0.338 0.000 1.175 563 A CA 1.728 53.632 52.037 -0.221 0.000 0.627 563 A CB -0.389 18.623 19.000 0.021 0.000 0.815 563 A HN 0.534 nan 8.150 nan 0.000 0.443 564 K N -0.555 119.701 120.400 -0.240 0.000 2.057 564 K HA -0.052 4.267 4.320 -0.001 0.000 0.207 564 K C 1.775 178.212 176.600 -0.272 0.000 1.049 564 K CA 1.512 57.678 56.287 -0.202 0.000 0.931 564 K CB -0.331 32.091 32.500 -0.130 0.000 0.714 564 K HN 0.527 nan 8.250 nan 0.000 0.440 565 I N 0.454 120.818 120.570 -0.343 0.000 2.252 565 I HA -0.183 3.987 4.170 -0.001 0.000 0.245 565 I C 2.480 178.298 176.117 -0.498 0.000 1.102 565 I CA 1.260 62.331 61.300 -0.382 0.000 1.385 565 I CB -0.531 37.186 38.000 -0.471 0.000 1.064 565 I HN 0.275 nan 8.210 nan 0.000 0.414 566 G N 0.705 109.053 108.800 -0.754 0.000 2.446 566 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.217 566 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.217 566 G C 1.804 176.287 174.900 -0.695 0.000 1.168 566 G CA 0.501 44.980 45.100 -1.036 0.000 0.771 566 G HN 0.282 nan 8.290 nan 0.000 0.551 567 R N 0.458 120.613 120.500 -0.575 0.000 2.096 567 R HA 0.044 4.383 4.340 -0.001 0.000 0.235 567 R C 2.992 179.202 176.300 -0.150 0.000 1.127 567 R CA 1.080 57.040 56.100 -0.233 0.000 0.968 567 R CB -0.351 29.868 30.300 -0.135 0.000 0.861 567 R HN 0.362 nan 8.270 nan 0.000 0.440 568 A N 1.189 123.906 122.820 -0.172 0.000 1.930 568 A HA -0.077 4.243 4.320 -0.001 0.000 0.217 568 A C 2.161 179.711 177.584 -0.057 0.000 1.175 568 A CA 0.937 52.917 52.037 -0.095 0.000 0.627 568 A CB -0.388 18.551 19.000 -0.102 0.000 0.815 568 A HN 0.157 nan 8.150 nan 0.000 0.443 569 L N 0.063 121.215 121.223 -0.119 0.000 2.093 569 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 569 L C 2.668 179.542 176.870 0.008 0.000 1.085 569 L CA 1.545 56.349 54.840 -0.060 0.000 0.755 569 L CB -0.558 41.409 42.059 -0.154 0.000 0.904 569 L HN 0.463 nan 8.230 nan 0.000 0.435 570 V N -3.425 116.468 119.914 -0.035 0.000 2.453 570 V HA -0.206 3.914 4.120 -0.001 0.000 0.247 570 V C 2.346 178.472 176.094 0.053 0.000 1.048 570 V CA 1.289 63.590 62.300 0.001 0.000 1.049 570 V CB -0.740 31.076 31.823 -0.012 0.000 0.672 570 V HN 0.447 nan 8.190 nan 0.000 0.457 571 Q N 0.299 120.129 119.800 0.051 0.000 2.119 571 Q HA -0.274 4.066 4.340 -0.001 0.000 0.201 571 Q C 2.364 178.427 176.000 0.104 0.000 0.972 571 Q CA 2.244 58.089 55.803 0.070 0.000 0.847 571 Q CB -0.609 28.159 28.738 0.050 0.000 0.903 571 Q HN 0.923 nan 8.270 nan 0.000 0.433 572 H N -0.260 118.826 119.070 0.026 0.000 2.357 572 H HA -0.046 4.510 4.556 -0.001 0.000 0.301 572 H C 1.922 177.298 175.328 0.080 0.000 1.082 572 H CA 1.531 57.603 56.048 0.041 0.000 1.342 572 H CB 0.342 30.105 29.762 0.002 0.000 1.389 572 H HN 0.109 nan 8.280 nan 0.000 0.511 573 V N 1.948 121.854 119.914 -0.014 0.000 2.358 573 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 573 V C 2.209 178.408 176.094 0.175 0.000 1.047 573 V CA 1.739 64.027 62.300 -0.021 0.000 1.035 573 V CB -0.442 31.439 31.823 0.096 0.000 0.658 573 V HN 0.484 nan 8.190 nan 0.000 0.452 574 N N 0.751 119.580 118.700 0.216 0.000 2.188 574 N HA -0.083 4.656 4.740 -0.001 0.000 0.184 574 N C 1.879 177.512 175.510 0.205 0.000 1.018 574 N CA 1.586 54.808 53.050 0.288 0.000 0.858 574 N CB -0.488 38.118 38.487 0.197 0.000 0.989 574 N HN 0.482 nan 8.380 nan 0.000 0.426 575 A N -0.031 122.852 122.820 0.105 0.000 1.933 575 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 575 A C 2.171 179.769 177.584 0.023 0.000 1.175 575 A CA 1.039 53.107 52.037 0.053 0.000 0.628 575 A CB -1.052 17.968 19.000 0.034 0.000 0.814 575 A HN 0.487 nan 8.150 nan 0.000 0.444 576 W N -0.706 120.464 121.300 -0.218 0.000 2.355 576 W HA -0.184 4.476 4.660 -0.001 0.000 0.309 576 W C 1.978 178.367 176.519 -0.217 0.000 1.206 576 W CA 1.815 58.972 57.345 -0.313 0.000 1.284 576 W CB -0.437 28.686 29.460 -0.562 0.000 1.145 576 W HN 0.457 nan 8.180 nan 0.000 0.502 577 W N 0.060 121.483 121.300 0.205 0.000 2.363 577 W HA -0.171 4.489 4.660 -0.001 0.000 0.296 577 W C 2.608 179.060 176.519 -0.111 0.000 1.212 577 W CA 1.776 59.167 57.345 0.077 0.000 1.260 577 W CB -0.909 28.660 29.460 0.180 0.000 1.131 577 W HN -0.045 nan 8.180 nan 0.000 0.530 578 A N 0.387 123.291 122.820 0.140 0.000 1.858 578 A HA -0.217 4.103 4.320 -0.001 0.000 0.216 578 A C 1.891 179.428 177.584 -0.079 0.000 1.190 578 A CA 1.786 53.836 52.037 0.020 0.000 0.617 578 A CB -0.699 18.312 19.000 0.018 0.000 0.827 578 A HN 0.190 nan 8.150 nan 0.000 0.443 579 E N -0.492 119.616 120.200 -0.153 0.000 2.072 579 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 579 E C 2.174 178.606 176.600 -0.279 0.000 0.985 579 E CA 1.608 57.889 56.400 -0.200 0.000 0.801 579 E CB -0.870 28.703 29.700 -0.213 0.000 0.750 579 E HN 0.585 nan 8.360 nan 0.000 0.452 580 T N 2.197 116.464 114.554 -0.478 0.000 2.674 580 T HA -0.092 4.258 4.350 -0.001 0.000 0.265 580 T C 2.116 176.676 174.700 -0.233 0.000 1.039 580 T CA 0.874 62.649 62.100 -0.543 0.000 1.150 580 T CB -0.263 67.909 68.868 -1.160 0.000 0.864 580 T HN 0.082 nan 8.240 nan 0.000 0.427 581 L N 0.970 122.128 121.223 -0.109 0.000 2.275 581 L HA -0.078 4.261 4.340 -0.001 0.000 0.215 581 L C 2.898 179.725 176.870 -0.072 0.000 1.119 581 L CA 0.783 55.602 54.840 -0.034 0.000 0.790 581 L CB -0.481 41.561 42.059 -0.028 0.000 0.919 581 L HN 0.201 nan 8.230 nan 0.000 0.443 582 Q N 0.432 120.178 119.800 -0.091 0.000 2.226 582 Q HA -0.188 4.152 4.340 -0.001 0.000 0.204 582 Q C 2.058 178.020 176.000 -0.064 0.000 0.975 582 Q CA 1.204 56.961 55.803 -0.077 0.000 0.866 582 Q CB -0.112 28.579 28.738 -0.079 0.000 0.915 582 Q HN 0.514 nan 8.270 nan 0.000 0.440 583 K N 0.405 120.761 120.400 -0.074 0.000 2.209 583 K HA -0.143 4.176 4.320 -0.001 0.000 0.204 583 K C 1.618 178.203 176.600 -0.025 0.000 1.048 583 K CA 0.917 57.171 56.287 -0.054 0.000 0.940 583 K CB 0.073 32.532 32.500 -0.069 0.000 0.729 583 K HN 0.289 nan 8.250 nan 0.000 0.451 584 Q N -0.005 119.786 119.800 -0.015 0.000 2.280 584 Q HA 0.167 4.506 4.340 -0.001 0.000 0.201 584 Q C -0.593 175.409 176.000 0.003 0.000 0.890 584 Q CA -0.147 55.664 55.803 0.013 0.000 0.947 584 Q CB 0.653 29.419 28.738 0.045 0.000 1.081 584 Q HN 0.147 nan 8.270 nan 0.000 0.502 585 R N 0.127 120.615 120.500 -0.021 0.000 3.532 585 R HA -0.167 4.172 4.340 -0.001 0.000 0.284 585 R C -0.899 175.375 176.300 -0.042 0.000 1.140 585 R CA 0.434 56.518 56.100 -0.026 0.000 0.768 585 R CB -2.311 27.984 30.300 -0.008 0.000 1.252 585 R HN 0.230 nan 8.270 nan 0.000 0.454 586 L N -0.251 120.927 121.223 -0.076 0.000 2.333 586 L HA 0.493 4.833 4.340 -0.001 0.000 0.269 586 L C 0.501 177.277 176.870 -0.157 0.000 1.010 586 L CA -0.853 53.904 54.840 -0.139 0.000 0.818 586 L CB 2.271 44.196 42.059 -0.224 0.000 1.306 586 L HN -0.111 nan 8.230 nan 0.000 0.430 587 T N 0.597 115.041 114.554 -0.184 0.000 2.770 587 T HA 0.159 4.508 4.350 -0.001 0.000 0.297 587 T C 0.033 174.598 174.700 -0.225 0.000 0.997 587 T CA -0.241 61.760 62.100 -0.165 0.000 0.949 587 T CB 1.222 70.011 68.868 -0.132 0.000 0.941 587 T HN 0.515 nan 8.240 nan 0.000 0.457 588 S N 2.132 117.722 115.700 -0.184 0.000 2.533 588 S HA 0.409 4.879 4.470 -0.001 0.000 0.282 588 S C 1.016 175.504 174.600 -0.188 0.000 1.304 588 S CA -0.421 57.661 58.200 -0.196 0.000 1.063 588 S CB 0.189 63.355 63.200 -0.057 0.000 0.881 588 S HN 0.830 nan 8.310 nan 0.000 0.493 589 A N 5.492 128.157 122.820 -0.257 0.000 2.469 589 A HA 0.387 4.706 4.320 -0.001 0.000 0.245 589 A C 0.455 177.920 177.584 -0.198 0.000 1.221 589 A CA -0.381 51.478 52.037 -0.297 0.000 0.946 589 A CB -0.016 18.695 19.000 -0.482 0.000 1.049 589 A HN 0.752 nan 8.150 nan 0.000 0.529 590 L N 1.028 122.162 121.223 -0.148 0.000 2.499 590 L HA 0.166 4.505 4.340 -0.001 0.000 0.273 590 L C 0.400 177.356 176.870 0.143 0.000 1.195 590 L CA 0.460 55.255 54.840 -0.074 0.000 0.882 590 L CB 0.370 42.230 42.059 -0.333 0.000 1.133 590 L HN 0.435 nan 8.230 nan 0.000 0.483 591 E N 3.796 124.178 120.200 0.303 0.000 2.502 591 E HA 0.251 4.600 4.350 -0.001 0.000 0.261 591 E C -1.415 175.337 176.600 0.254 0.000 0.974 591 E CA -0.776 55.798 56.400 0.288 0.000 0.795 591 E CB 1.419 31.287 29.700 0.280 0.000 1.385 591 E HN 0.378 nan 8.360 nan 0.000 0.400 592 L N 3.226 124.507 121.223 0.096 0.000 2.371 592 L HA 0.401 4.740 4.340 -0.001 0.000 0.272 592 L C -0.664 176.139 176.870 -0.111 0.000 1.124 592 L CA 0.480 55.144 54.840 -0.293 0.000 0.816 592 L CB 0.968 42.785 42.059 -0.404 0.000 1.129 592 L HN 0.510 nan 8.230 nan 0.000 0.448 593 E N 2.982 123.095 120.200 -0.146 0.000 2.266 593 E HA 0.172 4.522 4.350 -0.001 0.000 0.268 593 E C -1.809 174.763 176.600 -0.047 0.000 0.879 593 E CA -0.842 55.522 56.400 -0.060 0.000 0.762 593 E CB 1.969 31.636 29.700 -0.056 0.000 1.199 593 E HN 0.492 nan 8.360 nan 0.000 0.422 594 Y N 3.062 123.278 120.300 -0.140 0.000 2.436 594 Y HA 0.110 4.660 4.550 -0.001 0.000 0.343 594 Y C 0.505 176.309 175.900 -0.158 0.000 1.008 594 Y CA 0.060 58.063 58.100 -0.162 0.000 1.241 594 Y CB 0.489 38.864 38.460 -0.142 0.000 1.153 594 Y HN 0.548 nan 8.280 nan 0.000 0.521 595 E N 3.106 123.012 120.200 -0.490 0.000 2.206 595 E HA 0.150 4.500 4.350 -0.001 0.000 0.195 595 E C -0.192 175.992 176.600 -0.693 0.000 0.935 595 E CA 0.704 56.787 56.400 -0.528 0.000 0.875 595 E CB 0.420 29.930 29.700 -0.317 0.000 0.841 595 E HN 0.586 nan 8.360 nan 0.000 0.477 596 T N -0.110 114.030 114.554 -0.689 0.000 2.932 596 T HA 0.306 4.655 4.350 -0.001 0.000 0.318 596 T C -1.529 172.935 174.700 -0.393 0.000 1.265 596 T CA -0.739 60.981 62.100 -0.634 0.000 1.036 596 T CB 2.096 70.507 68.868 -0.762 0.000 1.209 596 T HN 0.085 nan 8.240 nan 0.000 0.484 597 H N 1.448 120.270 119.070 -0.413 0.000 2.708 597 H HA 0.615 5.171 4.556 -0.001 0.000 0.320 597 H C -1.766 173.415 175.328 -0.246 0.000 0.991 597 H CA -1.146 54.790 56.048 -0.186 0.000 1.243 597 H CB 0.058 29.820 29.762 -0.000 0.000 1.446 597 H HN 0.391 nan 8.280 nan 0.000 0.502 598 F N 5.016 124.715 119.950 -0.418 0.000 2.391 598 F HA 0.163 4.690 4.527 -0.001 0.000 0.359 598 F C 1.617 177.105 175.800 -0.521 0.000 1.122 598 F CA -0.660 57.128 58.000 -0.353 0.000 1.120 598 F CB 0.735 39.728 39.000 -0.012 0.000 1.142 598 F HN 0.822 nan 8.300 nan 0.000 0.483 599 C N 1.160 120.259 119.300 -0.334 0.000 2.432 599 C HA 0.168 4.627 4.460 -0.001 0.000 0.280 599 C C 0.917 175.882 174.990 -0.042 0.000 1.353 599 C CA 0.119 59.038 59.018 -0.165 0.000 1.766 599 C CB -0.653 27.050 27.740 -0.061 0.000 1.924 599 C HN 0.541 nan 8.230 nan 0.000 0.509 600 R N -0.031 120.377 120.500 -0.153 0.000 2.561 600 R HA 0.659 4.999 4.340 -0.001 0.000 0.297 600 R C -1.784 174.286 176.300 -0.383 0.000 0.969 600 R CA -0.604 55.289 56.100 -0.345 0.000 0.879 600 R CB 1.695 31.521 30.300 -0.791 0.000 1.178 600 R HN 0.461 nan 8.270 nan 0.000 0.445 601 F N 2.662 122.423 119.950 -0.314 0.000 2.561 601 F HA 0.413 4.940 4.527 -0.001 0.000 0.313 601 F C -1.369 174.446 175.800 0.025 0.000 1.126 601 F CA -1.131 56.742 58.000 -0.211 0.000 0.918 601 F CB 1.479 40.403 39.000 -0.127 0.000 1.199 601 F HN 0.313 nan 8.300 nan 0.000 0.444 602 L N 7.418 128.340 121.223 -0.501 0.000 2.298 602 L HA 0.635 4.974 4.340 -0.001 0.000 0.284 602 L C -1.220 175.388 176.870 -0.437 0.000 1.013 602 L CA -0.566 54.142 54.840 -0.219 0.000 0.824 602 L CB 1.194 43.282 42.059 0.047 0.000 1.221 602 L HN 0.697 nan 8.230 nan 0.000 0.418 603 M N 8.545 128.036 119.600 -0.182 0.000 2.114 603 M HA 0.662 5.141 4.480 -0.001 0.000 0.332 603 M C -2.599 173.646 176.300 -0.092 0.000 1.014 603 M CA -2.271 52.970 55.300 -0.097 0.000 0.956 603 M CB 1.470 34.127 32.600 0.094 0.000 1.551 603 M HN 0.300 nan 8.290 nan 0.000 0.427 604 P HA 0.422 nan 4.420 nan 0.000 0.276 604 P C -0.889 176.429 177.300 0.030 0.000 1.261 604 P CA -0.259 62.892 63.100 0.086 0.000 0.800 604 P CB 0.450 32.166 31.700 0.026 0.000 1.066 605 T N 1.384 115.992 114.554 0.090 0.000 2.737 605 T HA 0.461 4.811 4.350 -0.001 0.000 0.296 605 T C 0.371 175.064 174.700 -0.011 0.000 0.922 605 T CA 0.064 62.194 62.100 0.050 0.000 1.079 605 T CB -0.784 68.130 68.868 0.076 0.000 0.892 605 T HN 0.163 nan 8.240 nan 0.000 0.514 618 A N 0.613 123.390 122.820 -0.072 0.000 2.435 618 A HA 1.014 5.333 4.320 -0.001 0.000 0.304 618 A C -0.470 176.894 177.584 -0.367 0.000 1.064 618 A CA -0.469 51.527 52.037 -0.069 0.000 0.727 618 A CB 1.481 20.692 19.000 0.352 0.000 1.284 618 A HN 2.021 nan 8.150 nan 0.000 0.415 619 G N -0.414 108.132 108.800 -0.423 0.000 2.698 619 G HA2 0.590 4.550 3.960 -0.001 0.000 0.293 619 G HA3 0.590 4.550 3.960 -0.001 0.000 0.293 619 G C -2.184 172.536 174.900 -0.300 0.000 1.437 619 G CA -0.501 44.186 45.100 -0.689 0.000 0.852 619 G HN 1.030 nan 8.290 nan 0.000 0.499 620 L N 1.118 122.159 121.223 -0.303 0.000 2.313 620 L HA 0.726 5.065 4.340 -0.001 0.000 0.283 620 L C -0.473 176.457 176.870 0.100 0.000 1.013 620 L CA -0.849 53.929 54.840 -0.104 0.000 0.816 620 L CB 1.244 43.121 42.059 -0.304 0.000 1.236 620 L HN 0.432 nan 8.230 nan 0.000 0.419 621 I N 4.015 124.650 120.570 0.109 0.000 2.378 621 I HA 0.322 4.491 4.170 -0.001 0.000 0.291 621 I C -0.531 175.585 176.117 -0.001 0.000 0.992 621 I CA -0.792 60.525 61.300 0.027 0.000 1.154 621 I CB 1.830 39.828 38.000 -0.003 0.000 1.315 621 I HN 0.569 nan 8.210 nan 0.000 0.448 622 Q N 6.120 125.909 119.800 -0.019 0.000 2.421 622 Q HA 0.217 4.557 4.340 -0.001 0.000 0.242 622 Q C -0.998 175.009 176.000 0.012 0.000 1.024 622 Q CA -0.081 55.728 55.803 0.010 0.000 0.891 622 Q CB 0.622 29.376 28.738 0.027 0.000 1.222 622 Q HN 0.464 nan 8.270 nan 0.000 0.483 623 E N 3.597 123.802 120.200 0.009 0.000 2.103 623 E HA 0.419 4.768 4.350 -0.001 0.000 0.254 623 E C 0.456 177.063 176.600 0.013 0.000 0.940 623 E CA -0.109 56.295 56.400 0.005 0.000 0.771 623 E CB 0.715 30.413 29.700 -0.003 0.000 1.153 623 E HN 0.949 nan 8.360 nan 0.000 0.428 624 G N 3.997 112.807 108.800 0.017 0.000 2.591 624 G HA2 -0.428 3.531 3.960 -0.001 0.000 0.298 624 G HA3 -0.428 3.531 3.960 -0.001 0.000 0.298 624 G C 0.763 175.676 174.900 0.021 0.000 1.195 624 G CA 0.514 45.625 45.100 0.018 0.000 0.989 624 G HN 0.559 nan 8.290 nan 0.000 0.551 625 D N 1.584 121.995 120.400 0.019 0.000 2.117 625 D HA 0.254 4.893 4.640 -0.001 0.000 0.197 625 D C 2.017 178.331 176.300 0.023 0.000 0.987 625 D CA 2.525 56.538 54.000 0.021 0.000 0.829 625 D CB -0.306 40.505 40.800 0.019 0.000 0.961 625 D HN 0.915 nan 8.370 nan 0.000 0.460 626 K N 0.083 120.497 120.400 0.023 0.000 2.148 626 K HA 0.520 4.840 4.320 -0.001 0.000 0.239 626 K C 0.055 176.672 176.600 0.028 0.000 1.018 626 K CA -0.515 55.788 56.287 0.026 0.000 0.923 626 K CB 0.276 nan 32.500 nan 0.000 1.117 626 K HN 0.114 nan 8.250 nan 0.000 0.477 627 Q N 0.018 119.839 119.800 0.034 0.000 2.375 627 Q HA 0.499 4.839 4.340 -0.001 0.000 0.271 627 Q C -1.018 175.008 176.000 0.044 0.000 1.074 627 Q CA -0.923 54.903 55.803 0.039 0.000 0.808 627 Q CB 2.551 31.319 28.738 0.049 0.000 1.327 627 Q HN 0.613 nan 8.270 nan 0.000 0.441 628 R N 2.029 122.555 120.500 0.043 0.000 2.561 628 R HA 0.518 4.858 4.340 -0.001 0.000 0.297 628 R C -1.392 174.937 176.300 0.048 0.000 0.969 628 R CA -0.639 55.488 56.100 0.046 0.000 0.879 628 R CB 1.364 31.687 30.300 0.038 0.000 1.178 628 R HN 0.614 nan 8.270 nan 0.000 0.445 629 M N 4.287 123.899 119.600 0.021 0.000 2.264 629 M HA 0.360 4.839 4.480 -0.001 0.000 0.352 629 M C -1.465 174.716 176.300 -0.197 0.000 1.173 629 M CA -0.393 54.851 55.300 -0.094 0.000 1.075 629 M CB 1.708 34.241 32.600 -0.112 0.000 1.621 629 M HN 0.359 nan 8.290 nan 0.000 0.457 630 V N 5.806 125.544 119.914 -0.293 0.000 2.487 630 V HA 0.557 4.677 4.120 -0.001 0.000 0.298 630 V C -1.162 174.641 176.094 -0.485 0.000 1.028 630 V CA -0.584 61.603 62.300 -0.188 0.000 0.860 630 V CB 1.415 33.365 31.823 0.212 0.000 0.991 630 V HN 0.670 nan 8.190 nan 0.000 0.427 631 F N 3.641 123.576 119.950 -0.024 0.000 2.520 631 F HA 0.851 5.378 4.527 -0.001 0.000 0.322 631 F C 0.155 175.805 175.800 -0.249 0.000 1.103 631 F CA -0.680 57.232 58.000 -0.146 0.000 0.926 631 F CB 2.149 41.079 39.000 -0.117 0.000 1.154 631 F HN 0.337 nan 8.300 nan 0.000 0.453 642 T N 0.171 114.772 114.554 0.080 0.000 2.813 642 T HA 0.192 4.541 4.350 -0.001 0.000 0.297 642 T C -1.900 172.746 174.700 -0.091 0.000 1.036 642 T CA -0.900 61.105 62.100 -0.158 0.000 1.044 642 T CB 1.310 69.993 68.868 -0.309 0.000 0.993 642 T HN 0.075 nan 8.240 nan 0.000 0.535 643 P HA -0.031 nan 4.420 nan 0.000 0.219 643 P C 1.645 178.887 177.300 -0.098 0.000 1.146 643 P CA 0.287 63.349 63.100 -0.063 0.000 0.808 643 P CB -0.074 31.596 31.700 -0.051 0.000 0.779 644 L N -0.358 120.783 121.223 -0.137 0.000 2.017 644 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 644 L C 2.164 178.927 176.870 -0.178 0.000 1.073 644 L CA 2.294 57.044 54.840 -0.151 0.000 0.745 644 L CB -1.340 40.610 42.059 -0.180 0.000 0.894 644 L HN -0.109 nan 8.230 nan 0.000 0.432 645 A N -1.204 121.435 122.820 -0.301 0.000 1.929 645 A HA -0.205 4.115 4.320 -0.001 0.000 0.216 645 A C 2.247 179.467 177.584 -0.607 0.000 1.176 645 A CA 1.473 53.161 52.037 -0.581 0.000 0.628 645 A CB -0.649 17.696 19.000 -1.092 0.000 0.816 645 A HN 0.584 nan 8.150 nan 0.000 0.444 646 Q N -0.358 119.205 119.800 -0.395 0.000 2.030 646 Q HA -0.228 4.112 4.340 -0.001 0.000 0.204 646 Q C 2.238 178.126 176.000 -0.186 0.000 0.986 646 Q CA 2.374 58.028 55.803 -0.248 0.000 0.843 646 Q CB -0.347 28.357 28.738 -0.058 0.000 0.904 646 Q HN 0.753 nan 8.270 nan 0.000 0.420 647 Q N -1.385 118.365 119.800 -0.083 0.000 2.084 647 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 647 Q C 1.843 177.885 176.000 0.069 0.000 0.978 647 Q CA 1.407 57.213 55.803 0.005 0.000 0.844 647 Q CB -0.224 28.538 28.738 0.041 0.000 0.898 647 Q HN 0.443 nan 8.270 nan 0.000 0.426 648 F N 1.371 121.256 119.950 -0.107 0.000 2.102 648 F HA -0.232 4.295 4.527 -0.001 0.000 0.298 648 F C 2.363 178.113 175.800 -0.083 0.000 1.105 648 F CA 2.047 60.032 58.000 -0.024 0.000 1.239 648 F CB -0.445 38.471 39.000 -0.140 0.000 0.991 648 F HN 0.133 nan 8.300 nan 0.000 0.474 649 Q N -0.320 119.268 119.800 -0.353 0.000 2.020 649 Q HA -0.221 4.119 4.340 -0.001 0.000 0.202 649 Q C 2.299 178.034 176.000 -0.442 0.000 0.982 649 Q CA 1.700 57.130 55.803 -0.620 0.000 0.838 649 Q CB -0.212 27.985 28.738 -0.902 0.000 0.899 649 Q HN 0.448 nan 8.270 nan 0.000 0.423 650 Q N 0.215 119.845 119.800 -0.283 0.000 2.112 650 Q HA -0.244 4.096 4.340 -0.001 0.000 0.206 650 Q C 1.824 177.828 176.000 0.007 0.000 0.987 650 Q CA 1.835 57.645 55.803 0.012 0.000 0.858 650 Q CB -0.129 28.636 28.738 0.044 0.000 0.905 650 Q HN 0.521 nan 8.270 nan 0.000 0.420 651 E N -0.057 120.094 120.200 -0.083 0.000 2.122 651 E HA -0.113 4.236 4.350 -0.001 0.000 0.190 651 E C 1.964 178.386 176.600 -0.296 0.000 0.977 651 E CA 0.090 56.383 56.400 -0.178 0.000 0.820 651 E CB 0.124 29.690 29.700 -0.223 0.000 0.770 651 E HN 0.120 nan 8.360 nan 0.000 0.462 652 L N 0.214 121.252 121.223 -0.307 0.000 2.027 652 L HA -0.123 4.217 4.340 -0.001 0.000 0.206 652 L C 1.774 178.496 176.870 -0.245 0.000 1.074 652 L CA 1.758 56.402 54.840 -0.326 0.000 0.745 652 L CB -0.780 40.964 42.059 -0.524 0.000 0.898 652 L HN 0.250 nan 8.230 nan 0.000 0.433 653 Y N -1.530 118.514 120.300 -0.426 0.000 2.224 653 Y HA -0.274 4.276 4.550 -0.001 0.000 0.289 653 Y C 2.409 177.954 175.900 -0.592 0.000 1.146 653 Y CA 0.893 58.647 58.100 -0.577 0.000 1.182 653 Y CB -0.147 38.068 38.460 -0.409 0.000 0.983 653 Y HN 0.256 nan 8.280 nan 0.000 0.524 654 L N 0.560 121.727 121.223 -0.094 0.000 2.056 654 L HA -0.169 4.171 4.340 -0.001 0.000 0.207 654 L C 2.196 179.060 176.870 -0.010 0.000 1.078 654 L CA 1.578 56.429 54.840 0.019 0.000 0.749 654 L CB -0.590 41.499 42.059 0.050 0.000 0.901 654 L HN 0.041 nan 8.230 nan 0.000 0.433 655 R N -0.699 119.746 120.500 -0.091 0.000 2.073 655 R HA -0.128 4.212 4.340 -0.001 0.000 0.234 655 R C 2.291 178.579 176.300 -0.019 0.000 1.134 655 R CA 1.945 58.018 56.100 -0.046 0.000 0.952 655 R CB -0.457 29.811 30.300 -0.054 0.000 0.850 655 R HN 0.365 nan 8.270 nan 0.000 0.433 656 I N -0.133 120.345 120.570 -0.153 0.000 2.315 656 I HA -0.248 3.922 4.170 -0.001 0.000 0.248 656 I C 1.719 177.847 176.117 0.018 0.000 1.117 656 I CA 0.944 62.146 61.300 -0.164 0.000 1.404 656 I CB -0.172 37.560 38.000 -0.446 0.000 1.071 656 I HN 0.059 nan 8.210 nan 0.000 0.419 657 F N 1.380 121.295 119.950 -0.057 0.000 2.171 657 F HA -0.132 4.394 4.527 -0.001 0.000 0.300 657 F C 2.422 178.226 175.800 0.006 0.000 1.090 657 F CA 1.297 59.284 58.000 -0.022 0.000 1.293 657 F CB -0.736 38.260 39.000 -0.006 0.000 1.013 657 F HN 0.043 nan 8.300 nan 0.000 0.486 658 R N 0.068 120.691 120.500 0.205 0.000 2.310 658 R HA 0.059 4.399 4.340 -0.001 0.000 0.202 658 R C -0.064 176.295 176.300 0.099 0.000 0.933 658 R CA 0.312 56.489 56.100 0.127 0.000 1.054 658 R CB -0.328 30.030 30.300 0.097 0.000 0.985 658 R HN 0.185 nan 8.270 nan 0.000 0.489 659 N N 1.876 120.637 118.700 0.103 0.000 2.758 659 N HA -0.153 4.586 4.740 -0.001 0.000 0.248 659 N C -1.029 174.534 175.510 0.087 0.000 1.076 659 N CA 1.073 54.180 53.050 0.094 0.000 0.696 659 N CB -1.010 37.527 38.487 0.083 0.000 0.979 659 N HN 0.516 nan 8.380 nan 0.000 0.550 660 E N 0.281 120.536 120.200 0.092 0.000 2.222 660 E HA 0.475 4.824 4.350 -0.001 0.000 0.267 660 E C -2.297 174.371 176.600 0.114 0.000 0.963 660 E CA -1.873 54.573 56.400 0.077 0.000 0.837 660 E CB 0.999 30.730 29.700 0.051 0.000 1.183 660 E HN -0.000 nan 8.360 nan 0.000 0.403 661 P HA -0.034 nan 4.420 nan 0.000 0.268 661 P C -0.824 176.506 177.300 0.050 0.000 1.205 661 P CA 0.405 63.503 63.100 -0.004 0.000 0.771 661 P CB 0.105 31.780 31.700 -0.042 0.000 0.858 662 Y N -0.670 119.645 120.300 0.025 0.000 2.459 662 Y HA 0.266 4.816 4.550 -0.001 0.000 0.271 662 Y C 1.817 177.804 175.900 0.145 0.000 1.063 662 Y CA -0.128 58.008 58.100 0.061 0.000 1.216 662 Y CB -0.747 37.714 38.460 0.002 0.000 1.335 662 Y HN 0.111 nan 8.280 nan 0.000 0.550 663 Q N 1.216 120.632 119.800 -0.639 0.000 2.077 663 Q HA -0.248 4.092 4.340 -0.001 0.000 0.206 663 Q C 1.702 177.684 176.000 -0.030 0.000 0.989 663 Q CA 2.300 57.926 55.803 -0.295 0.000 0.853 663 Q CB -0.096 28.409 28.738 -0.389 0.000 0.907 663 Q HN 0.507 nan 8.270 nan 0.000 0.418 664 E N 0.259 120.444 120.200 -0.025 0.000 2.150 664 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 664 E C 1.595 178.243 176.600 0.080 0.000 0.985 664 E CA 0.928 57.336 56.400 0.014 0.000 0.814 664 E CB -0.289 29.415 29.700 0.007 0.000 0.752 664 E HN 0.458 nan 8.360 nan 0.000 0.466 665 Y N -0.260 120.068 120.300 0.047 0.000 2.200 665 Y HA -0.151 4.398 4.550 -0.001 0.000 0.290 665 Y C 1.939 177.942 175.900 0.171 0.000 1.137 665 Y CA 1.646 59.807 58.100 0.103 0.000 1.163 665 Y CB -0.313 38.225 38.460 0.130 0.000 0.988 665 Y HN -0.049 nan 8.280 nan 0.000 0.518 666 V N 0.912 120.954 119.914 0.214 0.000 2.343 666 V HA -0.295 3.824 4.120 -0.001 0.000 0.247 666 V C 2.405 178.498 176.094 -0.002 0.000 1.051 666 V CA 2.274 64.712 62.300 0.231 0.000 1.036 666 V CB -0.589 31.497 31.823 0.437 0.000 0.654 666 V HN 0.343 nan 8.190 nan 0.000 0.451 667 R N -0.344 120.144 120.500 -0.021 0.000 2.073 667 R HA -0.137 4.202 4.340 -0.001 0.000 0.234 667 R C 2.411 178.637 176.300 -0.123 0.000 1.134 667 R CA 1.442 57.492 56.100 -0.084 0.000 0.952 667 R CB -0.309 29.949 30.300 -0.069 0.000 0.850 667 R HN 0.458 nan 8.270 nan 0.000 0.433 668 E N -0.036 120.088 120.200 -0.127 0.000 2.110 668 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 668 E C 2.015 178.488 176.600 -0.211 0.000 0.988 668 E CA 1.523 57.835 56.400 -0.146 0.000 0.804 668 E CB -0.143 29.490 29.700 -0.111 0.000 0.745 668 E HN 0.337 nan 8.360 nan 0.000 0.458 669 T N 1.700 116.068 114.554 -0.310 0.000 2.674 669 T HA -0.103 4.247 4.350 -0.001 0.000 0.265 669 T C 2.149 176.671 174.700 -0.297 0.000 1.039 669 T CA 1.031 62.912 62.100 -0.364 0.000 1.150 669 T CB -0.235 68.315 68.868 -0.530 0.000 0.864 669 T HN 0.119 nan 8.240 nan 0.000 0.427 670 I N 1.193 121.610 120.570 -0.255 0.000 2.226 670 I HA -0.190 3.980 4.170 -0.001 0.000 0.245 670 I C 2.520 178.522 176.117 -0.190 0.000 1.100 670 I CA 1.478 62.655 61.300 -0.204 0.000 1.374 670 I CB -0.389 37.508 38.000 -0.171 0.000 1.057 670 I HN 0.210 nan 8.210 nan 0.000 0.413 671 D N 1.003 121.296 120.400 -0.178 0.000 2.117 671 D HA -0.192 4.447 4.640 -0.001 0.000 0.197 671 D C 2.163 178.353 176.300 -0.183 0.000 0.987 671 D CA 1.551 55.452 54.000 -0.165 0.000 0.829 671 D CB 0.096 40.813 40.800 -0.138 0.000 0.961 671 D HN 0.130 nan 8.370 nan 0.000 0.460 672 K N -0.589 119.698 120.400 -0.188 0.000 2.057 672 K HA -0.069 4.251 4.320 -0.001 0.000 0.206 672 K C 2.021 178.474 176.600 -0.246 0.000 1.050 672 K CA 0.688 56.859 56.287 -0.192 0.000 0.935 672 K CB -0.196 32.203 32.500 -0.168 0.000 0.715 672 K HN 0.130 nan 8.250 nan 0.000 0.439 673 L N 0.806 121.875 121.223 -0.256 0.000 1.989 673 L HA -0.178 4.162 4.340 -0.001 0.000 0.211 673 L C 1.906 178.486 176.870 -0.483 0.000 1.071 673 L CA 1.802 56.469 54.840 -0.288 0.000 0.749 673 L CB -0.291 41.645 42.059 -0.206 0.000 0.890 673 L HN 0.156 nan 8.230 nan 0.000 0.431 674 M N -0.534 118.834 119.600 -0.387 0.000 2.374 674 M HA 0.012 4.492 4.480 -0.001 0.000 0.264 674 M C 2.193 178.171 176.300 -0.536 0.000 1.067 674 M CA 1.319 56.349 55.300 -0.450 0.000 1.103 674 M CB -1.692 30.781 32.600 -0.212 0.000 1.402 674 M HN 0.484 nan 8.290 nan 0.000 0.444 675 A N -0.563 122.008 122.820 -0.415 0.000 2.169 675 A HA 0.403 4.723 4.320 -0.001 0.000 0.212 675 A C 1.739 179.115 177.584 -0.346 0.000 1.153 675 A CA 0.992 52.846 52.037 -0.304 0.000 0.756 675 A CB -0.608 18.273 19.000 -0.199 0.000 0.813 675 A HN 0.605 nan 8.150 nan 0.000 0.471 676 G N -0.444 108.015 108.800 -0.568 0.000 2.136 676 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.242 676 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.242 676 G C 0.307 175.114 174.900 -0.156 0.000 0.989 676 G CA 0.491 45.370 45.100 -0.367 0.000 0.682 676 G HN 0.640 nan 8.290 nan 0.000 0.522 677 E N -0.564 119.528 120.200 -0.180 0.000 2.489 677 E HA 0.289 4.638 4.350 -0.001 0.000 0.193 677 E C 1.623 178.159 176.600 -0.106 0.000 1.057 677 E CA 0.075 56.405 56.400 -0.116 0.000 0.866 677 E CB 0.210 29.843 29.700 -0.112 0.000 0.916 677 E HN 0.566 nan 8.360 nan 0.000 0.500 678 L N 0.884 122.030 121.223 -0.128 0.000 3.066 678 L HA 0.146 4.485 4.340 -0.001 0.000 0.265 678 L C 0.505 177.305 176.870 -0.116 0.000 1.232 678 L CA -0.236 54.530 54.840 -0.122 0.000 1.031 678 L CB 0.366 42.330 42.059 -0.158 0.000 1.379 678 L HN -0.081 nan 8.230 nan 0.000 0.563 679 D N 1.624 121.982 120.400 -0.071 0.000 2.228 679 D HA -0.186 4.453 4.640 -0.001 0.000 0.203 679 D C 2.150 178.395 176.300 -0.090 0.000 0.988 679 D CA 1.376 55.337 54.000 -0.065 0.000 0.864 679 D CB 0.285 41.083 40.800 -0.003 0.000 0.928 679 D HN 0.380 nan 8.370 nan 0.000 0.469 680 A N 0.686 123.462 122.820 -0.073 0.000 2.015 680 A HA -0.137 4.182 4.320 -0.001 0.000 0.219 680 A C 1.927 179.463 177.584 -0.079 0.000 1.163 680 A CA 0.903 52.903 52.037 -0.061 0.000 0.646 680 A CB -0.263 18.711 19.000 -0.043 0.000 0.806 680 A HN 0.171 nan 8.150 nan 0.000 0.448 681 R N -0.965 119.468 120.500 -0.111 0.000 2.334 681 R HA 0.216 4.556 4.340 -0.001 0.000 0.220 681 R C -0.103 176.084 176.300 -0.188 0.000 0.917 681 R CA -0.143 55.882 56.100 -0.126 0.000 1.073 681 R CB 0.039 30.267 30.300 -0.121 0.000 1.056 681 R HN 0.261 nan 8.270 nan 0.000 0.506 682 L N 0.720 121.803 121.223 -0.234 0.000 2.685 682 L HA 0.147 4.487 4.340 -0.001 0.000 0.233 682 L C -0.102 176.671 176.870 -0.162 0.000 1.173 682 L CA 0.175 54.810 54.840 -0.341 0.000 0.961 682 L CB 0.589 42.251 42.059 -0.662 0.000 1.217 682 L HN -0.145 nan 8.230 nan 0.000 0.478 683 V N -0.643 119.182 119.914 -0.148 0.000 2.432 683 V HA 0.217 4.337 4.120 -0.001 0.000 0.275 683 V C -0.329 175.656 176.094 -0.182 0.000 1.043 683 V CA -0.775 61.460 62.300 -0.108 0.000 0.925 683 V CB 0.805 32.607 31.823 -0.035 0.000 0.985 683 V HN 0.064 nan 8.190 nan 0.000 0.466 684 Y N 4.034 124.195 120.300 -0.231 0.000 2.320 684 Y HA 0.573 5.123 4.550 -0.001 0.000 0.334 684 Y C 0.546 176.373 175.900 -0.123 0.000 1.055 684 Y CA -0.322 57.602 58.100 -0.293 0.000 1.143 684 Y CB 1.144 39.060 38.460 -0.907 0.000 1.193 684 Y HN 0.502 nan 8.280 nan 0.000 0.477 685 R N 3.968 124.582 120.500 0.190 0.000 2.409 685 R HA 0.458 4.798 4.340 -0.001 0.000 0.313 685 R C -1.504 174.922 176.300 0.211 0.000 0.953 685 R CA -0.781 55.447 56.100 0.214 0.000 0.849 685 R CB 0.830 31.226 30.300 0.160 0.000 1.171 685 R HN 0.720 nan 8.270 nan 0.000 0.458 686 K N 3.191 123.726 120.400 0.225 0.000 2.427 686 K HA 0.317 4.636 4.320 -0.001 0.000 0.252 686 K C -0.944 175.702 176.600 0.077 0.000 0.931 686 K CA -0.869 55.456 56.287 0.063 0.000 0.793 686 K CB 1.707 34.112 32.500 -0.157 0.000 1.211 686 K HN 0.472 nan 8.250 nan 0.000 0.426 687 R N 2.223 122.767 120.500 0.073 0.000 2.491 687 R HA 0.295 4.634 4.340 -0.001 0.000 0.283 687 R C -0.646 175.765 176.300 0.184 0.000 1.072 687 R CA -0.055 56.140 56.100 0.157 0.000 1.048 687 R CB 0.382 30.776 30.300 0.156 0.000 0.983 687 R HN 0.462 nan 8.270 nan 0.000 0.450 688 L N 3.736 125.122 121.223 0.272 0.000 2.278 688 L HA 0.437 4.777 4.340 -0.001 0.000 0.287 688 L C 1.480 178.513 176.870 0.272 0.000 1.072 688 L CA 0.289 55.324 54.840 0.324 0.000 0.819 688 L CB -0.119 42.120 42.059 0.301 0.000 1.176 688 L HN 1.095 nan 8.230 nan 0.000 0.435 689 R N 3.257 123.937 120.500 0.300 0.000 2.057 689 R HA 0.112 4.451 4.340 -0.001 0.000 0.229 689 R C 1.468 177.872 176.300 0.173 0.000 1.136 689 R CA 1.570 57.801 56.100 0.219 0.000 0.952 689 R CB -0.385 30.044 30.300 0.215 0.000 0.848 689 R HN 0.886 nan 8.270 nan 0.000 0.430 690 R N 0.430 121.055 120.500 0.208 0.000 2.700 690 R HA 0.414 4.753 4.340 -0.001 0.000 0.253 690 R C -2.414 173.957 176.300 0.118 0.000 1.091 690 R CA -2.165 53.978 56.100 0.072 0.000 1.104 690 R CB 0.401 30.608 30.300 -0.154 0.000 1.202 690 R HN 0.184 nan 8.270 nan 0.000 0.532 691 P HA 0.046 nan 4.420 nan 0.000 0.269 691 P C -0.097 177.277 177.300 0.124 0.000 1.209 691 P CA -0.177 62.968 63.100 0.075 0.000 0.776 691 P CB 0.186 31.903 31.700 0.028 0.000 0.876 692 L N 1.667 122.980 121.223 0.151 0.000 2.562 692 L HA 0.327 4.667 4.340 -0.001 0.000 0.271 692 L C 1.330 178.281 176.870 0.134 0.000 1.167 692 L CA 0.938 55.884 54.840 0.177 0.000 0.917 692 L CB -1.310 nan 42.059 nan 0.000 1.187 692 L HN 0.773 nan 8.230 nan 0.000 0.482 693 S N -0.070 115.748 115.700 0.197 0.000 2.289 693 S HA -0.163 4.307 4.470 -0.001 0.000 0.257 693 S C 1.284 175.902 174.600 0.030 0.000 1.347 693 S CA 1.194 59.462 58.200 0.114 0.000 1.191 693 S CB -1.630 61.601 63.200 0.053 0.000 1.486 693 S HN 1.298 nan 8.310 nan 0.000 0.655 694 E N 0.461 120.610 120.200 -0.085 0.000 2.153 694 E HA 0.106 4.455 4.350 -0.001 0.000 0.194 694 E C 0.290 176.706 176.600 -0.306 0.000 0.988 694 E CA 1.473 57.706 56.400 -0.279 0.000 0.811 694 E CB -0.045 29.346 29.700 -0.514 0.000 0.746 694 E HN 0.832 nan 8.360 nan 0.000 0.466 695 Y N 0.469 120.752 120.300 -0.027 0.000 2.336 695 Y HA 0.179 4.729 4.550 -0.001 0.000 0.331 695 Y C 1.599 177.476 175.900 -0.038 0.000 1.211 695 Y CA 0.261 58.338 58.100 -0.038 0.000 1.346 695 Y CB 0.705 39.124 38.460 -0.067 0.000 1.271 695 Y HN 0.057 nan 8.280 nan 0.000 0.538 696 Q N 0.500 120.368 119.800 0.114 0.000 1.958 696 Q HA 0.167 4.506 4.340 -0.001 0.000 0.154 696 Q C 1.384 177.407 176.000 0.038 0.000 0.549 696 Q CA -0.345 55.491 55.803 0.055 0.000 0.824 696 Q CB 0.015 28.767 28.738 0.023 0.000 1.031 696 Q HN 0.485 nan 8.270 nan 0.000 0.312 697 R N 1.141 121.660 120.500 0.032 0.000 2.093 697 R HA 0.110 4.449 4.340 -0.001 0.000 0.224 697 R C 1.583 177.897 176.300 0.024 0.000 1.101 697 R CA 2.076 58.188 56.100 0.021 0.000 0.979 697 R CB -0.094 30.216 30.300 0.016 0.000 0.877 697 R HN 0.365 nan 8.270 nan 0.000 0.441 698 N N -0.619 118.108 118.700 0.045 0.000 2.131 698 N HA 0.008 4.748 4.740 -0.001 0.000 0.190 698 N C -0.508 175.009 175.510 0.012 0.000 1.055 698 N CA 1.260 54.335 53.050 0.042 0.000 0.853 698 N CB -0.075 38.455 38.487 0.073 0.000 1.035 698 N HN -0.101 nan 8.380 nan 0.000 0.440 699 V N 1.261 121.180 119.914 0.009 0.000 3.585 699 V HA -0.136 3.983 4.120 -0.001 0.000 0.489 699 V C -2.522 173.461 176.094 -0.184 0.000 0.682 699 V CA -0.562 61.656 62.300 -0.136 0.000 2.013 699 V CB -1.401 30.336 31.823 -0.143 0.000 2.442 699 V HN 0.240 nan 8.190 nan 0.000 0.504 700 P HA 0.313 nan 4.420 nan 0.000 0.274 700 P C -1.883 175.232 177.300 -0.310 0.000 1.246 700 P CA -1.525 61.449 63.100 -0.210 0.000 0.795 700 P CB 0.573 32.138 31.700 -0.224 0.000 1.006 701 P HA -0.204 nan 4.420 nan 0.000 0.215 701 P C 1.432 178.338 177.300 -0.657 0.000 1.153 701 P CA 1.526 64.427 63.100 -0.331 0.000 0.853 701 P CB -0.439 31.224 31.700 -0.062 0.000 0.788 702 H N -1.383 117.276 119.070 -0.684 0.000 2.389 702 H HA -0.017 4.538 4.556 -0.001 0.000 0.299 702 H C 1.662 176.659 175.328 -0.551 0.000 1.081 702 H CA 1.132 56.708 56.048 -0.787 0.000 1.345 702 H CB -1.383 28.174 29.762 -0.342 0.000 1.393 702 H HN -0.039 nan 8.280 nan 0.000 0.520 703 V N 1.646 120.955 119.914 -1.008 0.000 2.358 703 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 703 V C 3.020 178.795 176.094 -0.531 0.000 1.047 703 V CA 1.855 63.660 62.300 -0.824 0.000 1.035 703 V CB -0.570 30.577 31.823 -1.126 0.000 0.658 703 V HN 0.310 nan 8.190 nan 0.000 0.452 704 R N -0.097 120.104 120.500 -0.497 0.000 2.073 704 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 704 R C 2.433 178.518 176.300 -0.358 0.000 1.134 704 R CA 1.608 57.485 56.100 -0.373 0.000 0.952 704 R CB -0.583 29.502 30.300 -0.358 0.000 0.850 704 R HN 0.532 nan 8.270 nan 0.000 0.433 705 A N 0.821 123.369 122.820 -0.454 0.000 1.930 705 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 705 A C 2.297 179.692 177.584 -0.314 0.000 1.175 705 A CA 1.615 53.428 52.037 -0.372 0.000 0.627 705 A CB -0.484 18.234 19.000 -0.470 0.000 0.815 705 A HN 0.431 nan 8.150 nan 0.000 0.443 706 A N -0.087 122.493 122.820 -0.400 0.000 1.877 706 A HA -0.151 4.169 4.320 -0.001 0.000 0.216 706 A C 2.220 179.648 177.584 -0.260 0.000 1.186 706 A CA 1.522 53.275 52.037 -0.473 0.000 0.620 706 A CB -0.471 18.230 19.000 -0.498 0.000 0.822 706 A HN 0.529 nan 8.150 nan 0.000 0.443 707 R N -0.458 119.919 120.500 -0.206 0.000 2.091 707 R HA -0.089 4.251 4.340 -0.001 0.000 0.238 707 R C 2.016 178.245 176.300 -0.118 0.000 1.136 707 R CA 1.547 57.572 56.100 -0.124 0.000 0.959 707 R CB -0.543 29.678 30.300 -0.130 0.000 0.856 707 R HN 0.535 nan 8.270 nan 0.000 0.437 708 L N -0.177 120.958 121.223 -0.147 0.000 2.083 708 L HA -0.144 4.196 4.340 -0.001 0.000 0.209 708 L C 2.607 179.387 176.870 -0.150 0.000 1.083 708 L CA 1.141 55.900 54.840 -0.134 0.000 0.752 708 L CB -0.584 41.400 42.059 -0.125 0.000 0.899 708 L HN 0.266 nan 8.230 nan 0.000 0.433 709 A N -0.358 122.400 122.820 -0.103 0.000 1.969 709 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 709 A C 1.885 179.406 177.584 -0.104 0.000 1.169 709 A CA 1.779 53.788 52.037 -0.046 0.000 0.635 709 A CB -0.329 18.754 19.000 0.138 0.000 0.810 709 A HN 0.325 nan 8.150 nan 0.000 0.445 710 D N -0.260 120.124 120.400 -0.027 0.000 2.183 710 D HA -0.049 4.591 4.640 -0.001 0.000 0.205 710 D C 1.641 177.884 176.300 -0.094 0.000 0.962 710 D CA 0.856 54.852 54.000 -0.006 0.000 0.849 710 D CB -0.412 40.425 40.800 0.062 0.000 0.978 710 D HN 0.594 nan 8.370 nan 0.000 0.488 711 E N 0.328 120.456 120.200 -0.120 0.000 2.448 711 E HA -0.107 4.243 4.350 -0.001 0.000 0.203 711 E C 0.471 176.962 176.600 -0.182 0.000 1.046 711 E CA 0.671 56.997 56.400 -0.123 0.000 0.871 711 E CB 0.201 29.834 29.700 -0.113 0.000 0.790 711 E HN 0.364 nan 8.360 nan 0.000 0.545 728 I N 2.588 123.361 120.570 0.338 0.000 2.468 728 I HA 0.545 4.714 4.170 -0.001 0.000 0.285 728 I C -0.882 175.411 176.117 0.293 0.000 1.039 728 I CA -0.389 61.044 61.300 0.221 0.000 1.074 728 I CB 1.124 39.053 38.000 -0.118 0.000 1.228 728 I HN 0.422 nan 8.210 nan 0.000 0.436 729 K N 7.538 128.100 120.400 0.271 0.000 2.172 729 K HA 0.575 4.895 4.320 -0.001 0.000 0.276 729 K C -1.443 175.348 176.600 0.319 0.000 1.013 729 K CA -0.413 56.029 56.287 0.258 0.000 0.913 729 K CB 1.295 33.899 32.500 0.172 0.000 1.055 729 K HN 0.643 nan 8.250 nan 0.000 0.461 730 Y N -1.712 118.681 120.300 0.155 0.000 2.713 730 Y HA 0.581 5.130 4.550 -0.001 0.000 0.335 730 Y C -1.378 174.679 175.900 0.261 0.000 1.222 730 Y CA -1.487 56.691 58.100 0.131 0.000 1.061 730 Y CB 0.814 39.299 38.460 0.042 0.000 1.314 730 Y HN 0.260 nan 8.280 nan 0.000 0.453 731 V N -2.285 117.766 119.914 0.228 0.000 3.040 731 V HA 0.552 4.672 4.120 -0.001 0.000 0.312 731 V C -1.446 174.836 176.094 0.313 0.000 1.115 731 V CA -0.952 61.518 62.300 0.284 0.000 0.998 731 V CB 2.466 34.416 31.823 0.213 0.000 1.042 731 V HN 1.025 nan 8.190 nan 0.000 0.433 732 W N 3.613 125.074 121.300 0.268 0.000 2.332 732 W HA 0.646 5.306 4.660 -0.001 0.000 0.306 732 W C 0.071 176.601 176.519 0.018 0.000 1.149 732 W CA 0.524 57.859 57.345 -0.017 0.000 1.271 732 W CB 1.569 30.748 29.460 -0.469 0.000 1.243 732 W HN 1.066 nan 8.180 nan 0.000 0.459 733 T N 1.716 116.225 114.554 -0.075 0.000 2.927 733 T HA 0.314 4.664 4.350 -0.001 0.000 0.286 733 T C 0.081 174.797 174.700 0.027 0.000 1.040 733 T CA -0.524 61.579 62.100 0.005 0.000 1.010 733 T CB 1.752 70.586 68.868 -0.056 0.000 1.177 733 T HN 0.268 nan 8.240 nan 0.000 0.546 734 T N 0.617 115.192 114.554 0.034 0.000 2.926 734 T HA 0.194 4.543 4.350 -0.001 0.000 0.307 734 T C 0.586 175.284 174.700 -0.004 0.000 1.059 734 T CA 0.897 63.029 62.100 0.054 0.000 1.122 734 T CB -1.142 67.748 68.868 0.038 0.000 0.972 734 T HN 0.886 nan 8.240 nan 0.000 0.545 735 N N 1.726 120.427 118.700 0.003 0.000 2.815 735 N HA -0.179 4.561 4.740 -0.001 0.000 0.249 735 N C 0.332 175.752 175.510 -0.150 0.000 1.114 735 N CA 0.313 53.334 53.050 -0.049 0.000 0.717 735 N CB -1.477 36.982 38.487 -0.048 0.000 1.074 735 N HN 1.279 nan 8.380 nan 0.000 0.555 736 G N -0.697 107.970 108.800 -0.222 0.000 2.698 736 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.233 736 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.233 736 G C -2.770 171.566 174.900 -0.939 0.000 1.352 736 G CA -0.425 44.295 45.100 -0.633 0.000 0.879 736 G HN 0.134 nan 8.290 nan 0.000 0.567 737 P HA 0.401 nan 4.420 nan 0.000 0.271 737 P C -0.361 176.719 177.300 -0.366 0.000 1.216 737 P CA 0.459 63.099 63.100 -0.768 0.000 0.771 737 P CB 0.827 32.034 31.700 -0.823 0.000 0.864 738 E N 3.359 123.478 120.200 -0.135 0.000 2.366 738 E HA 0.327 4.677 4.350 -0.001 0.000 0.278 738 E C -2.651 173.993 176.600 0.073 0.000 0.923 738 E CA -2.462 53.903 56.400 -0.058 0.000 0.761 738 E CB 2.164 31.838 29.700 -0.043 0.000 1.231 738 E HN 0.337 nan 8.360 nan 0.000 0.443 739 P HA -0.031 nan 4.420 nan 0.000 0.271 739 P C 0.689 178.070 177.300 0.136 0.000 1.218 739 P CA -0.419 62.757 63.100 0.125 0.000 0.780 739 P CB 1.032 32.812 31.700 0.134 0.000 0.901 740 L N 2.397 123.699 121.223 0.132 0.000 2.013 740 L HA -0.115 4.225 4.340 -0.001 0.000 0.212 740 L C 0.523 177.396 176.870 0.004 0.000 1.073 740 L CA 1.924 56.808 54.840 0.074 0.000 0.753 740 L CB -1.375 40.726 42.059 0.070 0.000 0.890 740 L HN 0.386 nan 8.230 nan 0.000 0.432 741 D N -1.185 119.184 120.400 -0.051 0.000 2.304 741 D HA 0.170 4.809 4.640 -0.001 0.000 0.250 741 D C 0.070 176.208 176.300 -0.270 0.000 1.107 741 D CA -0.109 53.683 54.000 -0.346 0.000 0.885 741 D CB 0.604 41.026 40.800 -0.630 0.000 1.192 741 D HN 0.268 nan 8.370 nan 0.000 0.436 742 Y N -1.595 118.720 120.300 0.026 0.000 4.879 742 Y HA -0.254 4.296 4.550 -0.001 0.000 0.247 742 Y C 0.858 176.759 175.900 0.002 0.000 0.985 742 Y CA 0.080 58.188 58.100 0.012 0.000 2.000 742 Y CB -2.403 36.063 38.460 0.010 0.000 1.519 742 Y HN 0.485 nan 8.280 nan 0.000 0.613 743 Q N 1.926 121.782 119.800 0.093 0.000 2.239 743 Q HA 0.027 4.367 4.340 -0.001 0.000 0.286 743 Q C 1.379 177.408 176.000 0.048 0.000 1.102 743 Q CA 0.417 56.255 55.803 0.059 0.000 0.936 743 Q CB 0.569 29.328 28.738 0.034 0.000 1.127 743 Q HN 0.602 nan 8.270 nan 0.000 0.380 744 R N 2.009 122.530 120.500 0.034 0.000 2.146 744 R HA 0.133 4.473 4.340 -0.001 0.000 0.206 744 R C 0.002 176.307 176.300 0.007 0.000 1.049 744 R CA 0.494 56.608 56.100 0.023 0.000 1.029 744 R CB 0.610 30.918 30.300 0.013 0.000 0.949 744 R HN 0.530 nan 8.270 nan 0.000 0.471 745 S N 1.312 117.009 115.700 -0.005 0.000 2.681 745 S HA 0.436 4.905 4.470 -0.001 0.000 0.299 745 S C -2.626 171.968 174.600 -0.010 0.000 1.113 745 S CA -1.364 56.830 58.200 -0.010 0.000 1.013 745 S CB 1.875 65.061 63.200 -0.024 0.000 1.076 745 S HN 0.132 nan 8.310 nan 0.000 0.534 746 P HA 0.182 nan 4.420 nan 0.000 0.275 746 P C -0.835 176.431 177.300 -0.057 0.000 1.227 746 P CA -0.537 62.550 63.100 -0.021 0.000 0.781 746 P CB 0.306 32.005 31.700 -0.002 0.000 0.906 747 L N 2.916 124.062 121.223 -0.128 0.000 2.506 747 L HA 0.046 4.386 4.340 -0.001 0.000 0.281 747 L C 0.978 177.663 176.870 -0.308 0.000 1.228 747 L CA 1.042 55.750 54.840 -0.219 0.000 0.850 747 L CB -0.870 40.928 42.059 -0.434 0.000 1.110 747 L HN 0.416 nan 8.230 nan 0.000 0.496 748 D N 1.488 121.857 120.400 -0.052 0.000 2.473 748 D HA 0.104 4.743 4.640 -0.001 0.000 0.226 748 D C 0.494 176.879 176.300 0.140 0.000 1.089 748 D CA -0.264 53.765 54.000 0.049 0.000 0.883 748 D CB 0.390 41.337 40.800 0.244 0.000 1.029 748 D HN 0.322 nan 8.370 nan 0.000 0.517 749 Y N 1.791 122.246 120.300 0.259 0.000 2.293 749 Y HA -0.073 4.477 4.550 -0.001 0.000 0.291 749 Y C 2.177 178.194 175.900 0.195 0.000 1.137 749 Y CA 0.655 58.890 58.100 0.226 0.000 1.202 749 Y CB -0.178 38.333 38.460 0.084 0.000 0.990 749 Y HN 0.401 nan 8.280 nan 0.000 0.537 750 E N -0.590 119.769 120.200 0.266 0.000 2.085 750 E HA -0.235 4.115 4.350 -0.001 0.000 0.194 750 E C 2.282 178.938 176.600 0.094 0.000 0.994 750 E CA 1.485 57.976 56.400 0.152 0.000 0.801 750 E CB -0.413 29.356 29.700 0.114 0.000 0.743 750 E HN 0.491 nan 8.360 nan 0.000 0.453 751 H N -1.064 117.999 119.070 -0.011 0.000 2.319 751 H HA -0.178 4.378 4.556 -0.001 0.000 0.299 751 H C 1.685 176.872 175.328 -0.235 0.000 1.092 751 H CA 2.051 57.958 56.048 -0.236 0.000 1.302 751 H CB -0.210 29.270 29.762 -0.470 0.000 1.373 751 H HN 0.330 nan 8.280 nan 0.000 0.497 752 Y N -0.051 120.297 120.300 0.079 0.000 2.242 752 Y HA -0.167 4.383 4.550 -0.001 0.000 0.291 752 Y C 2.698 178.552 175.900 -0.076 0.000 1.137 752 Y CA 0.858 58.969 58.100 0.017 0.000 1.181 752 Y CB -0.289 38.209 38.460 0.062 0.000 0.989 752 Y HN 0.164 nan 8.280 nan 0.000 0.527 753 L N -0.055 121.238 121.223 0.117 0.000 2.027 753 L HA -0.168 4.171 4.340 -0.001 0.000 0.206 753 L C 2.441 179.321 176.870 0.015 0.000 1.074 753 L CA 2.593 57.468 54.840 0.058 0.000 0.745 753 L CB -1.113 40.996 42.059 0.085 0.000 0.898 753 L HN 0.377 nan 8.230 nan 0.000 0.433 754 T N -4.038 110.489 114.554 -0.045 0.000 3.009 754 T HA 0.015 4.364 4.350 -0.001 0.000 0.258 754 T C 1.791 176.384 174.700 -0.177 0.000 1.063 754 T CA 0.250 62.302 62.100 -0.080 0.000 1.139 754 T CB -0.181 68.633 68.868 -0.090 0.000 0.890 754 T HN 0.222 nan 8.240 nan 0.000 0.471 755 R N 0.289 120.609 120.500 -0.299 0.000 2.334 755 R HA 0.380 4.720 4.340 -0.001 0.000 0.212 755 R C 1.692 177.896 176.300 -0.159 0.000 0.897 755 R CA 0.218 56.124 56.100 -0.323 0.000 1.056 755 R CB 0.099 29.976 30.300 -0.706 0.000 1.046 755 R HN 0.458 nan 8.270 nan 0.000 0.513 756 Q N -0.412 119.292 119.800 -0.161 0.000 2.618 756 Q HA 0.264 4.604 4.340 -0.001 0.000 0.209 756 Q C 2.221 178.027 176.000 -0.323 0.000 0.797 756 Q CA 0.178 55.869 55.803 -0.186 0.000 0.888 756 Q CB 0.048 28.719 28.738 -0.112 0.000 1.244 756 Q HN 0.101 nan 8.270 nan 0.000 0.626 757 L N 1.323 122.365 121.223 -0.301 0.000 2.017 757 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 757 L C 2.701 179.244 176.870 -0.545 0.000 1.073 757 L CA 1.445 56.035 54.840 -0.417 0.000 0.745 757 L CB -0.460 41.326 42.059 -0.454 0.000 0.894 757 L HN 0.345 nan 8.230 nan 0.000 0.432 758 Q N -0.085 119.351 119.800 -0.606 0.000 2.077 758 Q HA -0.209 4.131 4.340 -0.001 0.000 0.206 758 Q C -0.385 175.321 176.000 -0.490 0.000 0.989 758 Q CA 2.064 57.350 55.803 -0.862 0.000 0.853 758 Q CB -0.658 27.923 28.738 -0.261 0.000 0.907 758 Q HN 0.326 nan 8.270 nan 0.000 0.418 759 P HA -0.152 nan 4.420 nan 0.000 0.215 759 P C 1.395 178.671 177.300 -0.040 0.000 1.157 759 P CA 1.163 64.225 63.100 -0.065 0.000 0.863 759 P CB -0.012 31.748 31.700 0.100 0.000 0.787 760 V N 0.242 120.093 119.914 -0.105 0.000 2.255 760 V HA -0.295 3.824 4.120 -0.001 0.000 0.247 760 V C 2.452 178.539 176.094 -0.011 0.000 1.051 760 V CA 2.453 64.717 62.300 -0.060 0.000 1.018 760 V CB -1.732 29.984 31.823 -0.179 0.000 0.641 760 V HN 0.100 nan 8.190 nan 0.000 0.445 761 A N -0.490 122.251 122.820 -0.132 0.000 1.877 761 A HA -0.242 4.078 4.320 -0.001 0.000 0.216 761 A C 2.101 179.601 177.584 -0.140 0.000 1.186 761 A CA 2.001 53.948 52.037 -0.149 0.000 0.620 761 A CB -0.538 18.282 19.000 -0.301 0.000 0.822 761 A HN 0.515 nan 8.150 nan 0.000 0.443 762 E N -0.310 119.788 120.200 -0.170 0.000 2.478 762 E HA 0.056 4.406 4.350 -0.001 0.000 0.198 762 E C 1.750 178.272 176.600 -0.129 0.000 1.046 762 E CA 0.657 56.983 56.400 -0.122 0.000 0.870 762 E CB -0.397 29.248 29.700 -0.093 0.000 0.818 762 E HN 0.533 nan 8.360 nan 0.000 0.527 763 G N -0.122 108.644 108.800 -0.056 0.000 2.572 763 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.216 763 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.216 763 G C 1.430 176.304 174.900 -0.043 0.000 1.133 763 G CA 0.457 45.568 45.100 0.019 0.000 0.791 763 G HN 0.385 nan 8.290 nan 0.000 0.538 764 I N -1.386 119.070 120.570 -0.190 0.000 4.706 764 I HA 0.271 4.441 4.170 -0.001 0.000 0.321 764 I C 2.086 178.019 176.117 -0.306 0.000 1.249 764 I CA -0.037 61.087 61.300 -0.293 0.000 1.321 764 I CB 0.213 37.777 38.000 -0.726 0.000 1.342 764 I HN -0.028 nan 8.210 nan 0.000 0.463 765 L N 2.186 123.245 121.223 -0.273 0.000 2.089 765 L HA -0.160 4.180 4.340 -0.001 0.000 0.213 765 L C -0.672 176.091 176.870 -0.178 0.000 1.079 765 L CA 1.828 56.553 54.840 -0.191 0.000 0.758 765 L CB -2.057 39.973 42.059 -0.048 0.000 0.891 765 L HN 0.246 nan 8.230 nan 0.000 0.433 766 P HA -0.158 nan 4.420 nan 0.000 0.217 766 P C 1.400 178.535 177.300 -0.274 0.000 1.150 766 P CA 1.325 64.229 63.100 -0.328 0.000 0.832 766 P CB -0.047 31.346 31.700 -0.512 0.000 0.787 767 F N -0.645 119.245 119.950 -0.100 0.000 2.546 767 F HA -0.011 4.515 4.527 -0.001 0.000 0.298 767 F C 1.771 177.511 175.800 -0.101 0.000 1.120 767 F CA 0.690 58.622 58.000 -0.114 0.000 1.456 767 F CB -1.144 37.768 39.000 -0.147 0.000 1.088 767 F HN -0.006 nan 8.300 nan 0.000 0.572 768 I N -3.465 117.126 120.570 0.036 0.000 3.856 768 I HA 0.319 4.488 4.170 -0.001 0.000 0.330 768 I C 0.101 176.240 176.117 0.038 0.000 1.546 768 I CA -0.040 61.279 61.300 0.031 0.000 1.132 768 I CB 0.070 38.076 38.000 0.010 0.000 1.157 768 I HN -0.150 nan 8.210 nan 0.000 0.440 769 E N 1.221 121.430 120.200 0.015 0.000 2.868 769 E HA -0.209 4.140 4.350 -0.001 0.000 0.278 769 E C -0.451 176.167 176.600 0.030 0.000 1.009 769 E CA 0.981 57.392 56.400 0.017 0.000 0.856 769 E CB -1.233 28.485 29.700 0.030 0.000 1.428 769 E HN 0.751 nan 8.360 nan 0.000 0.423 770 D N 0.156 120.575 120.400 0.033 0.000 2.423 770 D HA 0.405 5.045 4.640 -0.001 0.000 0.235 770 D C -0.684 175.641 176.300 0.043 0.000 1.011 770 D CA -0.520 53.522 54.000 0.071 0.000 0.963 770 D CB 1.039 41.946 40.800 0.178 0.000 1.349 770 D HN -0.037 nan 8.370 nan 0.000 0.508 771 N N 2.174 120.910 118.700 0.061 0.000 2.346 771 N HA 0.098 4.837 4.740 -0.001 0.000 0.289 771 N C 0.113 175.687 175.510 0.107 0.000 1.027 771 N CA -0.420 52.665 53.050 0.059 0.000 0.864 771 N CB 0.997 39.496 38.487 0.020 0.000 1.370 771 N HN 0.301 nan 8.380 nan 0.000 0.481 772 F N 4.149 124.098 119.950 -0.001 0.000 2.113 772 F HA 0.028 4.554 4.527 -0.001 0.000 0.297 772 F C 2.123 177.925 175.800 0.003 0.000 1.103 772 F CA 1.880 59.891 58.000 0.019 0.000 1.248 772 F CB -0.228 38.782 39.000 0.017 0.000 0.999 772 F HN 0.678 nan 8.300 nan 0.000 0.475 773 A N -0.578 122.216 122.820 -0.043 0.000 1.940 773 A HA -0.198 4.122 4.320 -0.001 0.000 0.219 773 A C 2.202 179.677 177.584 -0.181 0.000 1.176 773 A CA 2.341 54.294 52.037 -0.140 0.000 0.631 773 A CB -1.436 17.550 19.000 -0.022 0.000 0.814 773 A HN 0.449 nan 8.150 nan 0.000 0.446 774 T N 1.090 115.574 114.554 -0.117 0.000 2.674 774 T HA -0.119 4.231 4.350 -0.001 0.000 0.265 774 T C 1.832 176.448 174.700 -0.140 0.000 1.039 774 T CA 1.564 63.604 62.100 -0.100 0.000 1.150 774 T CB -0.405 68.432 68.868 -0.052 0.000 0.864 774 T HN 0.557 nan 8.240 nan 0.000 0.427 775 L N -0.005 121.120 121.223 -0.163 0.000 2.376 775 L HA 0.243 4.582 4.340 -0.001 0.000 0.219 775 L C 2.275 178.984 176.870 -0.268 0.000 1.133 775 L CA 1.390 56.129 54.840 -0.168 0.000 0.816 775 L CB -1.332 40.670 42.059 -0.095 0.000 0.933 775 L HN 0.315 nan 8.230 nan 0.000 0.449 776 M N 0.806 120.146 119.600 -0.434 0.000 2.156 776 M HA -0.130 4.349 4.480 -0.001 0.000 0.264 776 M C 2.067 178.199 176.300 -0.279 0.000 1.067 776 M CA 1.849 56.862 55.300 -0.478 0.000 1.131 776 M CB -0.135 32.045 32.600 -0.700 0.000 1.368 776 M HN 0.169 nan 8.290 nan 0.000 0.416 777 T N 0.169 114.588 114.554 -0.225 0.000 2.777 777 T HA -0.029 4.320 4.350 -0.001 0.000 0.266 777 T C 1.591 176.202 174.700 -0.148 0.000 1.040 777 T CA 1.506 63.508 62.100 -0.163 0.000 1.141 777 T CB -0.709 68.086 68.868 -0.121 0.000 0.868 777 T HN 0.707 nan 8.240 nan 0.000 0.444 778 G N 0.269 108.986 108.800 -0.138 0.000 2.462 778 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.220 778 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.220 778 G C 1.567 176.393 174.900 -0.124 0.000 1.121 778 G CA 0.954 45.985 45.100 -0.115 0.000 0.758 778 G HN 0.385 nan 8.290 nan 0.000 0.559 779 Q N -0.396 119.315 119.800 -0.147 0.000 2.165 779 Q HA 0.259 4.598 4.340 -0.001 0.000 0.197 779 Q C 2.296 178.202 176.000 -0.157 0.000 0.952 779 Q CA 0.832 56.548 55.803 -0.145 0.000 0.848 779 Q CB -0.129 28.514 28.738 -0.158 0.000 0.931 779 Q HN 0.455 nan 8.270 nan 0.000 0.470 780 L N -1.090 120.027 121.223 -0.177 0.000 2.590 780 L HA 0.417 4.757 4.340 -0.001 0.000 0.227 780 L C 0.861 177.576 176.870 -0.258 0.000 1.099 780 L CA 0.064 54.787 54.840 -0.196 0.000 0.872 780 L CB 0.181 42.135 42.059 -0.174 0.000 1.088 780 L HN 0.328 nan 8.230 nan 0.000 0.479 781 G N 0.487 109.146 108.800 -0.236 0.000 2.728 781 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.294 781 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.294 781 G C -0.075 174.675 174.900 -0.249 0.000 1.342 781 G CA -0.423 44.505 45.100 -0.286 0.000 0.866 781 G HN 0.045 nan 8.290 nan 0.000 0.534 782 L N 0.384 121.481 121.223 -0.210 0.000 2.611 782 L HA 0.449 4.789 4.340 -0.001 0.000 0.229 782 L C 0.855 177.771 176.870 0.078 0.000 1.137 782 L CA 0.325 55.142 54.840 -0.037 0.000 0.901 782 L CB -0.613 41.485 42.059 0.066 0.000 1.098 782 L HN 0.546 nan 8.230 nan 0.000 0.456 783 F N 0.000 119.940 119.950 -0.017 0.000 2.286 783 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 783 F CA 0.000 57.995 58.000 -0.009 0.000 1.383 783 F CB 0.000 38.996 39.000 -0.006 0.000 1.145 783 F HN 0.000 nan 8.300 nan 0.000 0.574