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 1upc_1_B DATA FIRST_RESID 12 DATA SEQUENCE PTAAHALLSR LRDHGVGKVF GVVGREAASI LFDEVEGIDF VLTRHEFTAG DATA SEQUENCE VAADVLARIT GRPQACWATL GPGMTNLSTG IATSVLDRSP VIALAAQSES DATA SEQUENCE HDIFPNDTHQ CLDSVAIVAP MSKYAVELQR PHEITDLVDS AVNAAMTEPV DATA SEQUENCE GPSFISLPVD LLGSSEGIDT XXPNPPANTP AKPVGVVADG WQKAADQAAA DATA SEQUENCE LLAEAKHPVL VVGAAAIRSG AVPAIRALAE RLNIPVITTY IAKGVLPVGH DATA SEQUENCE ELNYGAVTGY MDGILNFPAL QTMFAPVDLV LTVGYDYAED LRPSMWQKGI DATA SEQUENCE EKKTVRISPT VNPIPRVYRP DVDVVTDVLA FVEHFETATA SFGAKQRHDI DATA SEQUENCE EPLRARIAEF LADPETYEDG MRVHQVIDSM NTVMEEAAEP GEGTIVSDIG DATA SEQUENCE FFRHYGVLFA RADQPFGFLT SAGCSSFGYG IPAAIGAQMA RPDQPTFLIA DATA SEQUENCE GDGGFHSNSS DLETIARLNL PIVTVVVNND TNGLIELYQN IGHHRSHDPA DATA SEQUENCE VKFGGVDFVA LAEANGVDAT RATNREELLA ALRKGAELGR PFLIEVPVNY DATA SEQUENCE DFQPGGFGAL S 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.264 177.300 -0.060 0.000 1.155 12 P CA 0.000 63.030 63.100 -0.117 0.000 0.800 12 P CB 0.000 31.575 31.700 -0.208 0.000 0.726 13 T N 0.065 114.617 114.554 -0.003 0.000 2.910 13 T HA 0.660 5.010 4.350 0.000 0.000 0.287 13 T C 1.267 176.003 174.700 0.060 0.000 1.050 13 T CA 0.270 62.385 62.100 0.024 0.000 1.011 13 T CB 1.654 70.530 68.868 0.013 0.000 1.195 13 T HN 0.391 nan 8.240 nan 0.000 0.540 14 A N 0.604 123.454 122.820 0.051 0.000 2.019 14 A HA 0.167 4.487 4.320 0.000 0.000 0.219 14 A C 2.371 179.991 177.584 0.061 0.000 1.164 14 A CA 1.992 54.066 52.037 0.061 0.000 0.644 14 A CB -1.048 17.981 19.000 0.049 0.000 0.805 14 A HN 0.882 nan 8.150 nan 0.000 0.449 15 A N -0.597 122.246 122.820 0.038 0.000 1.883 15 A HA -0.219 4.101 4.320 0.000 0.000 0.217 15 A C 1.989 179.570 177.584 -0.006 0.000 1.186 15 A CA 2.071 54.101 52.037 -0.010 0.000 0.624 15 A CB -0.981 17.965 19.000 -0.089 0.000 0.822 15 A HN 0.793 nan 8.150 nan 0.000 0.444 16 H N -0.328 118.710 119.070 -0.053 0.000 2.319 16 H HA -0.045 4.511 4.556 0.000 0.000 0.299 16 H C 2.197 177.520 175.328 -0.009 0.000 1.092 16 H CA 2.169 58.195 56.048 -0.037 0.000 1.302 16 H CB -0.176 29.569 29.762 -0.029 0.000 1.373 16 H HN 0.418 nan 8.280 nan 0.000 0.497 17 A N 0.545 123.483 122.820 0.197 0.000 1.933 17 A HA -0.134 4.187 4.320 0.000 0.000 0.218 17 A C 2.340 179.962 177.584 0.063 0.000 1.175 17 A CA 1.549 53.671 52.037 0.141 0.000 0.628 17 A CB -0.802 18.269 19.000 0.117 0.000 0.814 17 A HN 0.500 nan 8.150 nan 0.000 0.444 18 L N -0.201 121.056 121.223 0.056 0.000 1.988 18 L HA -0.074 4.266 4.340 0.000 0.000 0.207 18 L C 2.267 179.173 176.870 0.060 0.000 1.071 18 L CA 1.817 56.700 54.840 0.073 0.000 0.744 18 L CB -0.764 41.363 42.059 0.114 0.000 0.893 18 L HN 0.385 nan 8.230 nan 0.000 0.433 19 L N -0.947 120.280 121.223 0.007 0.000 2.083 19 L HA -0.181 4.159 4.340 0.000 0.000 0.209 19 L C 2.719 179.557 176.870 -0.055 0.000 1.083 19 L CA 1.398 56.230 54.840 -0.012 0.000 0.752 19 L CB -0.748 41.263 42.059 -0.080 0.000 0.899 19 L HN 0.430 nan 8.230 nan 0.000 0.433 20 S N -0.105 115.521 115.700 -0.122 0.000 2.368 20 S HA -0.215 4.255 4.470 0.000 0.000 0.224 20 S C 2.197 176.777 174.600 -0.033 0.000 1.029 20 S CA 1.297 59.427 58.200 -0.116 0.000 0.988 20 S CB -0.062 63.057 63.200 -0.134 0.000 0.838 20 S HN 0.247 nan 8.310 nan 0.000 0.462 21 R N 0.991 121.495 120.500 0.007 0.000 2.090 21 R HA 0.233 4.573 4.340 0.000 0.000 0.228 21 R C 2.198 178.549 176.300 0.086 0.000 1.110 21 R CA 1.193 57.309 56.100 0.026 0.000 0.973 21 R CB -0.960 29.379 30.300 0.064 0.000 0.869 21 R HN 0.499 nan 8.270 nan 0.000 0.440 22 L N 0.081 121.370 121.223 0.110 0.000 2.042 22 L HA -0.174 4.166 4.340 0.000 0.000 0.210 22 L C 2.722 179.646 176.870 0.090 0.000 1.076 22 L CA 1.617 56.539 54.840 0.136 0.000 0.749 22 L CB -0.525 41.608 42.059 0.123 0.000 0.893 22 L HN 0.208 nan 8.230 nan 0.000 0.432 23 R N 0.355 120.874 120.500 0.033 0.000 2.105 23 R HA -0.186 4.154 4.340 0.000 0.000 0.239 23 R C 1.738 178.028 176.300 -0.016 0.000 1.135 23 R CA 1.890 57.993 56.100 0.005 0.000 0.967 23 R CB -0.346 29.941 30.300 -0.021 0.000 0.861 23 R HN 0.387 nan 8.270 nan 0.000 0.442 24 D N -0.496 119.868 120.400 -0.061 0.000 2.178 24 D HA -0.141 4.499 4.640 0.000 0.000 0.201 24 D C 1.232 177.413 176.300 -0.199 0.000 0.980 24 D CA 1.081 54.994 54.000 -0.145 0.000 0.842 24 D CB -0.256 40.409 40.800 -0.225 0.000 0.948 24 D HN 0.388 nan 8.370 nan 0.000 0.472 25 H N -0.861 118.213 119.070 0.006 0.000 2.524 25 H HA 0.282 4.838 4.556 0.000 0.000 0.280 25 H C 1.476 176.809 175.328 0.010 0.000 1.018 25 H CA 0.741 56.793 56.048 0.006 0.000 1.165 25 H CB 0.510 30.275 29.762 0.005 0.000 1.411 25 H HN 0.206 nan 8.280 nan 0.000 0.569 26 G N 0.647 109.495 108.800 0.080 0.000 2.175 26 G HA2 -0.290 3.670 3.960 0.000 0.000 0.244 26 G HA3 -0.290 3.670 3.960 0.000 0.000 0.244 26 G C 0.352 175.282 174.900 0.050 0.000 0.982 26 G CA 0.243 45.376 45.100 0.055 0.000 0.641 26 G HN 0.231 nan 8.290 nan 0.000 0.527 27 V N 1.152 121.104 119.914 0.064 0.000 2.529 27 V HA 0.482 4.603 4.120 0.000 0.000 0.292 27 V C 1.670 177.776 176.094 0.019 0.000 1.028 27 V CA 1.280 63.610 62.300 0.049 0.000 1.074 27 V CB 1.223 33.087 31.823 0.069 0.000 0.958 27 V HN 0.617 nan 8.190 nan 0.000 0.481 28 G N 4.728 113.526 108.800 -0.003 0.000 2.939 28 G HA2 0.158 4.118 3.960 0.000 0.000 0.216 28 G HA3 0.158 4.118 3.960 0.000 0.000 0.216 28 G C 0.492 175.340 174.900 -0.088 0.000 1.125 28 G CA -0.078 45.003 45.100 -0.032 0.000 0.766 28 G HN 0.506 nan 8.290 nan 0.000 0.541 29 K N 0.427 120.748 120.400 -0.131 0.000 2.464 29 K HA 0.584 4.904 4.320 0.000 0.000 0.253 29 K C -1.610 174.801 176.600 -0.314 0.000 0.933 29 K CA -0.629 55.469 56.287 -0.316 0.000 0.801 29 K CB 2.969 35.146 32.500 -0.539 0.000 1.271 29 K HN -0.135 nan 8.250 nan 0.000 0.430 30 V N 3.519 123.167 119.914 -0.443 0.000 2.376 30 V HA 0.403 4.523 4.120 0.000 0.000 0.287 30 V C -0.681 174.906 176.094 -0.845 0.000 1.015 30 V CA -0.822 61.242 62.300 -0.393 0.000 0.834 30 V CB 0.426 32.142 31.823 -0.178 0.000 1.001 30 V HN 0.520 nan 8.190 nan 0.000 0.428 31 F N 2.853 122.540 119.950 -0.438 0.000 2.375 31 F HA 0.853 5.380 4.527 0.000 0.000 0.333 31 F C 1.041 176.569 175.800 -0.452 0.000 1.104 31 F CA 0.429 58.128 58.000 -0.501 0.000 1.149 31 F CB 1.709 40.550 39.000 -0.265 0.000 1.190 31 F HN 0.707 nan 8.300 nan 0.000 0.533 32 G N 0.306 108.950 108.800 -0.260 0.000 2.324 32 G HA2 0.436 4.396 3.960 0.000 0.000 0.293 32 G HA3 0.436 4.396 3.960 0.000 0.000 0.293 32 G C -2.454 172.644 174.900 0.329 0.000 1.297 32 G CA -0.842 44.324 45.100 0.110 0.000 0.853 32 G HN 0.512 nan 8.290 nan 0.000 0.535 33 V N 0.233 120.406 119.914 0.431 0.000 2.525 33 V HA 0.574 4.694 4.120 0.000 0.000 0.299 33 V C 0.027 176.340 176.094 0.365 0.000 1.034 33 V CA -0.717 61.785 62.300 0.336 0.000 0.863 33 V CB 1.429 33.372 31.823 0.201 0.000 0.999 33 V HN 0.764 nan 8.190 nan 0.000 0.423 34 V N 4.222 124.239 119.914 0.171 0.000 2.509 34 V HA 0.754 4.874 4.120 0.000 0.000 0.284 34 V C 0.935 177.114 176.094 0.142 0.000 1.047 34 V CA 0.390 62.764 62.300 0.124 0.000 0.952 34 V CB 1.297 32.987 31.823 -0.221 0.000 0.988 34 V HN 0.961 nan 8.190 nan 0.000 0.469 35 G N 3.569 112.496 108.800 0.211 0.000 2.890 35 G HA2 0.323 4.283 3.960 0.000 0.000 0.189 35 G HA3 0.323 4.283 3.960 0.000 0.000 0.189 35 G C 0.827 175.803 174.900 0.125 0.000 1.342 35 G CA -0.224 44.966 45.100 0.149 0.000 1.026 35 G HN 0.747 nan 8.290 nan 0.000 0.579 36 R N -0.012 120.554 120.500 0.110 0.000 2.241 36 R HA -0.045 4.295 4.340 0.000 0.000 0.224 36 R C 1.672 178.023 176.300 0.085 0.000 1.101 36 R CA 1.854 58.003 56.100 0.082 0.000 0.995 36 R CB -0.301 30.043 30.300 0.073 0.000 0.870 36 R HN 0.540 nan 8.270 nan 0.000 0.463 37 E N 1.635 121.913 120.200 0.130 0.000 2.455 37 E HA -0.165 4.186 4.350 0.000 0.000 0.202 37 E C 1.486 178.142 176.600 0.093 0.000 1.045 37 E CA 1.183 57.669 56.400 0.144 0.000 0.872 37 E CB -0.102 29.755 29.700 0.262 0.000 0.792 37 E HN 0.517 nan 8.360 nan 0.000 0.542 38 A N 1.548 124.406 122.820 0.062 0.000 2.076 38 A HA 0.004 4.324 4.320 0.000 0.000 0.220 38 A C 2.448 180.015 177.584 -0.029 0.000 1.160 38 A CA 1.702 53.734 52.037 -0.008 0.000 0.653 38 A CB -0.570 18.421 19.000 -0.015 0.000 0.801 38 A HN 0.440 nan 8.150 nan 0.000 0.455 39 A N -1.190 121.629 122.820 -0.003 0.000 2.067 39 A HA 0.045 4.365 4.320 0.000 0.000 0.219 39 A C 2.223 179.796 177.584 -0.018 0.000 1.158 39 A CA 1.820 53.852 52.037 -0.008 0.000 0.661 39 A CB -0.325 18.679 19.000 0.008 0.000 0.801 39 A HN 0.420 nan 8.150 nan 0.000 0.452 40 S N -1.819 113.870 115.700 -0.018 0.000 2.505 40 S HA 0.393 4.863 4.470 0.000 0.000 0.216 40 S C 0.266 174.812 174.600 -0.089 0.000 1.018 40 S CA -0.045 58.139 58.200 -0.026 0.000 0.911 40 S CB 0.150 63.357 63.200 0.012 0.000 0.818 40 S HN 0.496 nan 8.310 nan 0.000 0.497 41 I N 1.048 121.520 120.570 -0.165 0.000 2.586 41 I HA 0.315 4.485 4.170 0.000 0.000 0.288 41 I C -0.165 175.692 176.117 -0.432 0.000 1.147 41 I CA -0.475 60.596 61.300 -0.381 0.000 1.047 41 I CB 1.335 38.963 38.000 -0.620 0.000 1.244 41 I HN 0.034 nan 8.210 nan 0.000 0.429 42 L N 6.961 127.977 121.223 -0.344 0.000 2.162 42 L HA 0.184 4.524 4.340 0.000 0.000 0.205 42 L C 0.390 177.188 176.870 -0.120 0.000 1.086 42 L CA 0.984 55.705 54.840 -0.197 0.000 0.778 42 L CB 0.026 42.017 42.059 -0.113 0.000 0.928 42 L HN 0.834 nan 8.230 nan 0.000 0.446 43 F N -0.638 119.184 119.950 -0.212 0.000 2.482 43 F HA -0.218 4.310 4.527 0.000 0.000 0.321 43 F C 0.893 176.627 175.800 -0.109 0.000 0.626 43 F CA 0.620 58.506 58.000 -0.190 0.000 1.642 43 F CB -1.691 37.156 39.000 -0.256 0.000 2.098 43 F HN 0.348 nan 8.300 nan 0.000 0.295 44 D N -0.407 119.994 120.400 0.002 0.000 2.395 44 D HA 0.123 4.763 4.640 0.000 0.000 0.213 44 D C 1.327 177.615 176.300 -0.021 0.000 1.110 44 D CA 0.415 54.416 54.000 0.002 0.000 0.835 44 D CB 0.027 40.825 40.800 -0.003 0.000 0.965 44 D HN 0.305 nan 8.370 nan 0.000 0.505 45 E N -0.139 120.026 120.200 -0.057 0.000 2.204 45 E HA 0.032 4.382 4.350 0.000 0.000 0.195 45 E C 0.082 176.641 176.600 -0.068 0.000 0.990 45 E CA 0.646 57.022 56.400 -0.040 0.000 0.821 45 E CB 0.340 29.995 29.700 -0.074 0.000 0.750 45 E HN 0.121 nan 8.360 nan 0.000 0.477 46 V N 1.251 121.106 119.914 -0.098 0.000 2.482 46 V HA 0.096 4.216 4.120 0.000 0.000 0.295 46 V C -0.411 175.654 176.094 -0.050 0.000 1.026 46 V CA -1.020 61.208 62.300 -0.121 0.000 0.856 46 V CB 1.760 33.460 31.823 -0.205 0.000 1.001 46 V HN 0.063 nan 8.190 nan 0.000 0.424 47 E N 3.361 123.545 120.200 -0.028 0.000 2.414 47 E HA 0.351 4.701 4.350 0.000 0.000 0.263 47 E C 1.168 177.758 176.600 -0.017 0.000 1.000 47 E CA 1.137 57.529 56.400 -0.013 0.000 0.914 47 E CB 0.688 30.386 29.700 -0.003 0.000 0.948 47 E HN 1.089 nan 8.360 nan 0.000 0.444 48 G N 3.973 112.764 108.800 -0.014 0.000 2.195 48 G HA2 -0.238 3.722 3.960 0.000 0.000 0.224 48 G HA3 -0.238 3.722 3.960 0.000 0.000 0.224 48 G C 0.088 174.976 174.900 -0.019 0.000 0.990 48 G CA 0.035 45.126 45.100 -0.015 0.000 0.639 48 G HN 0.559 nan 8.290 nan 0.000 0.514 49 I N 2.256 122.817 120.570 -0.016 0.000 2.439 49 I HA 0.380 4.550 4.170 0.000 0.000 0.285 49 I C -1.196 174.917 176.117 -0.007 0.000 1.021 49 I CA -0.824 60.467 61.300 -0.014 0.000 1.091 49 I CB 1.254 39.259 38.000 0.008 0.000 1.242 49 I HN -0.003 nan 8.210 nan 0.000 0.439 50 D N 6.606 126.973 120.400 -0.054 0.000 2.198 50 D HA 0.260 4.900 4.640 0.000 0.000 0.247 50 D C -0.821 175.402 176.300 -0.128 0.000 1.010 50 D CA -0.229 53.736 54.000 -0.058 0.000 0.880 50 D CB 2.408 43.155 40.800 -0.089 0.000 1.209 50 D HN 0.182 nan 8.370 nan 0.000 0.451 51 F N 1.134 120.938 119.950 -0.243 0.000 2.394 51 F HA 0.259 4.786 4.527 0.000 0.000 0.340 51 F C -0.247 175.358 175.800 -0.325 0.000 1.105 51 F CA -0.466 57.297 58.000 -0.394 0.000 1.124 51 F CB 1.002 39.677 39.000 -0.541 0.000 1.145 51 F HN -0.032 nan 8.300 nan 0.000 0.505 52 V N 7.840 127.251 119.914 -0.838 0.000 2.293 52 V HA 0.208 4.328 4.120 0.000 0.000 0.275 52 V C -0.451 175.410 176.094 -0.389 0.000 1.021 52 V CA -0.831 61.170 62.300 -0.498 0.000 0.815 52 V CB 0.859 32.310 31.823 -0.621 0.000 1.025 52 V HN 0.588 nan 8.190 nan 0.000 0.448 53 L N 6.362 127.578 121.223 -0.011 0.000 2.367 53 L HA 0.565 4.905 4.340 0.000 0.000 0.275 53 L C 0.766 177.686 176.870 0.084 0.000 1.129 53 L CA 0.962 55.902 54.840 0.166 0.000 0.839 53 L CB 1.195 43.384 42.059 0.216 0.000 1.133 53 L HN 0.863 nan 8.230 nan 0.000 0.453 54 T N 1.908 116.522 114.554 0.100 0.000 2.938 54 T HA 0.516 4.866 4.350 0.000 0.000 0.285 54 T C 0.981 175.742 174.700 0.101 0.000 1.028 54 T CA -0.806 61.344 62.100 0.084 0.000 1.005 54 T CB 1.268 70.178 68.868 0.069 0.000 1.157 54 T HN 0.510 nan 8.240 nan 0.000 0.550 55 R N -0.406 120.150 120.500 0.093 0.000 2.246 55 R HA 0.208 4.548 4.340 0.000 0.000 0.199 55 R C 0.511 176.918 176.300 0.178 0.000 0.984 55 R CA 0.531 56.692 56.100 0.101 0.000 1.015 55 R CB -0.576 29.758 30.300 0.057 0.000 0.930 55 R HN 0.800 nan 8.270 nan 0.000 0.475 56 H N -0.624 118.479 119.070 0.054 0.000 2.974 56 H HA 0.118 4.674 4.556 0.000 0.000 0.366 56 H C -0.232 175.157 175.328 0.102 0.000 1.155 56 H CA -0.284 55.811 56.048 0.078 0.000 1.186 56 H CB 1.937 31.746 29.762 0.078 0.000 1.799 56 H HN -0.193 nan 8.280 nan 0.000 0.541 57 E N 2.704 122.754 120.200 -0.250 0.000 2.204 57 E HA -0.124 4.226 4.350 0.000 0.000 0.195 57 E C 1.477 178.043 176.600 -0.057 0.000 0.990 57 E CA 1.078 57.403 56.400 -0.125 0.000 0.821 57 E CB 0.005 29.628 29.700 -0.128 0.000 0.750 57 E HN 0.464 nan 8.360 nan 0.000 0.477 58 F N 1.326 121.160 119.950 -0.193 0.000 2.102 58 F HA -0.228 4.299 4.527 0.000 0.000 0.298 58 F C 2.002 177.803 175.800 0.002 0.000 1.105 58 F CA 1.701 59.699 58.000 -0.004 0.000 1.239 58 F CB -0.652 38.455 39.000 0.180 0.000 0.991 58 F HN -0.098 nan 8.300 nan 0.000 0.474 59 T N 0.880 115.381 114.554 -0.087 0.000 2.759 59 T HA -0.187 4.163 4.350 0.000 0.000 0.269 59 T C 2.230 176.758 174.700 -0.288 0.000 1.042 59 T CA 1.455 63.404 62.100 -0.252 0.000 1.140 59 T CB -0.882 67.958 68.868 -0.047 0.000 0.864 59 T HN 0.408 nan 8.240 nan 0.000 0.455 60 A N 1.392 124.121 122.820 -0.152 0.000 1.877 60 A HA 0.110 4.430 4.320 0.000 0.000 0.216 60 A C 2.650 180.101 177.584 -0.223 0.000 1.186 60 A CA 1.855 53.822 52.037 -0.118 0.000 0.620 60 A CB -1.346 17.669 19.000 0.025 0.000 0.822 60 A HN 0.514 nan 8.150 nan 0.000 0.443 61 G N -0.850 107.833 108.800 -0.195 0.000 2.408 61 G HA2 -0.050 3.910 3.960 0.000 0.000 0.217 61 G HA3 -0.050 3.910 3.960 0.000 0.000 0.217 61 G C 1.474 176.208 174.900 -0.277 0.000 1.150 61 G CA 1.195 46.191 45.100 -0.173 0.000 0.776 61 G HN 0.319 nan 8.290 nan 0.000 0.542 62 V N 1.374 121.028 119.914 -0.433 0.000 2.379 62 V HA -0.035 4.085 4.120 0.000 0.000 0.245 62 V C 3.281 179.080 176.094 -0.492 0.000 1.044 62 V CA 1.771 63.797 62.300 -0.456 0.000 1.036 62 V CB -0.610 30.810 31.823 -0.673 0.000 0.664 62 V HN 0.450 nan 8.190 nan 0.000 0.453 63 A N 0.169 122.618 122.820 -0.617 0.000 1.933 63 A HA -0.127 4.193 4.320 0.000 0.000 0.218 63 A C 2.412 179.492 177.584 -0.839 0.000 1.175 63 A CA 2.099 53.658 52.037 -0.796 0.000 0.628 63 A CB -0.710 17.617 19.000 -1.123 0.000 0.814 63 A HN 0.555 nan 8.150 nan 0.000 0.444 64 A N -0.019 122.351 122.820 -0.751 0.000 1.898 64 A HA -0.203 4.117 4.320 0.000 0.000 0.216 64 A C 1.963 179.419 177.584 -0.213 0.000 1.181 64 A CA 1.801 53.619 52.037 -0.366 0.000 0.620 64 A CB -0.630 18.297 19.000 -0.122 0.000 0.819 64 A HN 0.670 nan 8.150 nan 0.000 0.442 65 D N 0.020 120.292 120.400 -0.214 0.000 2.092 65 D HA -0.146 4.494 4.640 0.000 0.000 0.193 65 D C 1.889 178.094 176.300 -0.159 0.000 0.994 65 D CA 2.051 55.966 54.000 -0.141 0.000 0.828 65 D CB -0.047 40.692 40.800 -0.103 0.000 0.963 65 D HN 0.212 nan 8.370 nan 0.000 0.450 66 V N 1.002 120.785 119.914 -0.219 0.000 2.427 66 V HA -0.193 3.927 4.120 0.000 0.000 0.248 66 V C 2.602 178.585 176.094 -0.186 0.000 1.051 66 V CA 1.022 63.192 62.300 -0.216 0.000 1.048 66 V CB -0.437 31.228 31.823 -0.264 0.000 0.666 66 V HN 0.230 nan 8.190 nan 0.000 0.456 67 L N 0.876 121.995 121.223 -0.173 0.000 2.131 67 L HA -0.049 4.291 4.340 0.000 0.000 0.210 67 L C 2.374 179.213 176.870 -0.051 0.000 1.092 67 L CA 2.250 57.040 54.840 -0.083 0.000 0.759 67 L CB -0.851 41.198 42.059 -0.017 0.000 0.903 67 L HN 0.227 nan 8.230 nan 0.000 0.435 68 A N -0.525 122.256 122.820 -0.066 0.000 1.929 68 A HA -0.193 4.127 4.320 0.000 0.000 0.216 68 A C 2.502 180.050 177.584 -0.060 0.000 1.176 68 A CA 1.446 53.458 52.037 -0.041 0.000 0.628 68 A CB -0.552 18.425 19.000 -0.038 0.000 0.816 68 A HN 0.491 nan 8.150 nan 0.000 0.444 69 R N -0.098 120.322 120.500 -0.133 0.000 2.070 69 R HA -0.085 4.255 4.340 0.000 0.000 0.233 69 R C 1.873 178.065 176.300 -0.180 0.000 1.137 69 R CA 1.993 57.953 56.100 -0.233 0.000 0.945 69 R CB -0.406 29.628 30.300 -0.443 0.000 0.845 69 R HN 0.522 nan 8.270 nan 0.000 0.430 70 I N 0.363 120.847 120.570 -0.143 0.000 2.233 70 I HA -0.212 3.958 4.170 0.000 0.000 0.243 70 I C 2.382 178.551 176.117 0.086 0.000 1.093 70 I CA 1.722 63.039 61.300 0.028 0.000 1.380 70 I CB -0.438 37.569 38.000 0.012 0.000 1.067 70 I HN 0.417 nan 8.210 nan 0.000 0.413 71 T N -1.699 112.880 114.554 0.042 0.000 2.985 71 T HA 0.089 4.439 4.350 0.000 0.000 0.266 71 T C 1.692 176.428 174.700 0.059 0.000 1.076 71 T CA 0.661 62.792 62.100 0.051 0.000 1.135 71 T CB -0.181 68.710 68.868 0.038 0.000 0.890 71 T HN 0.549 nan 8.240 nan 0.000 0.480 72 G N 1.613 110.447 108.800 0.057 0.000 2.153 72 G HA2 -0.247 3.713 3.960 0.000 0.000 0.252 72 G HA3 -0.247 3.713 3.960 0.000 0.000 0.252 72 G C 0.031 174.955 174.900 0.039 0.000 0.994 72 G CA 0.078 45.213 45.100 0.058 0.000 0.698 72 G HN 0.730 nan 8.290 nan 0.000 0.521 73 R N -0.204 120.315 120.500 0.031 0.000 2.750 73 R HA 0.479 4.820 4.340 0.000 0.000 0.281 73 R C -2.841 173.473 176.300 0.022 0.000 0.972 73 R CA -2.207 53.911 56.100 0.031 0.000 0.912 73 R CB 1.890 32.214 30.300 0.040 0.000 1.187 73 R HN -0.010 nan 8.270 nan 0.000 0.464 74 P HA -0.042 nan 4.420 nan 0.000 0.265 74 P C -0.733 176.586 177.300 0.032 0.000 1.193 74 P CA 0.244 63.347 63.100 0.005 0.000 0.765 74 P CB 0.685 32.367 31.700 -0.029 0.000 0.823 75 Q N 0.987 120.810 119.800 0.038 0.000 2.873 75 Q HA 0.847 5.187 4.340 0.000 0.000 0.297 75 Q C -0.961 175.092 176.000 0.088 0.000 1.064 75 Q CA -0.964 54.884 55.803 0.075 0.000 0.816 75 Q CB 2.238 31.027 28.738 0.085 0.000 1.481 75 Q HN 0.419 nan 8.270 nan 0.000 0.488 76 A N 0.216 123.120 122.820 0.140 0.000 2.455 76 A HA 0.762 5.082 4.320 0.000 0.000 0.300 76 A C -0.533 177.171 177.584 0.200 0.000 1.040 76 A CA -0.528 51.601 52.037 0.153 0.000 0.697 76 A CB 0.691 19.783 19.000 0.152 0.000 1.265 76 A HN 0.820 nan 8.150 nan 0.000 0.407 77 C N -0.166 119.246 119.300 0.187 0.000 3.044 77 C HA 0.987 5.447 4.460 0.000 0.000 0.315 77 C C -1.035 174.127 174.990 0.286 0.000 1.320 77 C CA -0.950 58.190 59.018 0.204 0.000 1.582 77 C CB 1.487 29.298 27.740 0.119 0.000 2.039 77 C HN 1.092 nan 8.230 nan 0.000 0.466 78 W N 0.980 122.335 121.300 0.092 0.000 3.274 78 W HA 0.648 5.308 4.660 -0.000 0.000 0.327 78 W C -1.070 175.551 176.519 0.170 0.000 1.172 78 W CA -0.008 57.438 57.345 0.170 0.000 1.217 78 W CB 2.139 31.758 29.460 0.264 0.000 1.376 78 W HN 1.325 nan 8.180 nan 0.000 0.507 79 A N 2.467 125.229 122.820 -0.097 0.000 2.594 79 A HA 0.609 4.929 4.320 0.000 0.000 0.291 79 A C -0.805 176.773 177.584 -0.009 0.000 1.105 79 A CA -0.433 51.659 52.037 0.092 0.000 0.694 79 A CB 1.815 20.847 19.000 0.055 0.000 1.291 79 A HN 0.440 nan 8.150 nan 0.000 0.410 80 T N 0.201 114.840 114.554 0.141 0.000 2.770 80 T HA 0.511 4.861 4.350 0.000 0.000 0.281 80 T C 0.677 175.412 174.700 0.059 0.000 0.981 80 T CA -0.001 62.177 62.100 0.130 0.000 0.955 80 T CB -0.118 68.845 68.868 0.159 0.000 1.060 80 T HN 1.185 nan 8.240 nan 0.000 0.531 81 L N 0.480 121.739 121.223 0.060 0.000 2.479 81 L HA 0.551 4.891 4.340 0.000 0.000 0.270 81 L C 1.360 178.251 176.870 0.035 0.000 1.236 81 L CA -0.110 54.756 54.840 0.044 0.000 0.823 81 L CB -0.974 41.113 42.059 0.046 0.000 1.098 81 L HN 0.932 nan 8.230 nan 0.000 0.500 82 G N 1.525 110.338 108.800 0.021 0.000 2.634 82 G HA2 -0.335 3.625 3.960 0.000 0.000 0.318 82 G HA3 -0.335 3.625 3.960 0.000 0.000 0.318 82 G C -0.997 173.902 174.900 -0.002 0.000 1.207 82 G CA 0.427 45.528 45.100 0.001 0.000 0.987 82 G HN 0.807 nan 8.290 nan 0.000 0.547 83 P HA -0.009 nan 4.420 nan 0.000 0.225 83 P C 1.888 179.192 177.300 0.007 0.000 1.148 83 P CA 2.283 65.385 63.100 0.002 0.000 0.779 83 P CB -0.641 31.063 31.700 0.007 0.000 0.780 84 G N 0.750 109.562 108.800 0.021 0.000 2.421 84 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 84 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 84 G C 1.539 176.441 174.900 0.004 0.000 1.171 84 G CA 0.934 46.049 45.100 0.025 0.000 0.775 84 G HN 0.168 nan 8.290 nan 0.000 0.543 85 M N 2.103 121.706 119.600 0.005 0.000 2.132 85 M HA -0.094 4.387 4.480 0.000 0.000 0.263 85 M C 2.709 178.973 176.300 -0.060 0.000 1.065 85 M CA 2.477 57.768 55.300 -0.015 0.000 1.122 85 M CB -1.251 31.353 32.600 0.007 0.000 1.365 85 M HN 0.375 nan 8.290 nan 0.000 0.411 86 T N -0.950 113.575 114.554 -0.048 0.000 2.833 86 T HA -0.102 4.248 4.350 0.000 0.000 0.269 86 T C 1.552 176.236 174.700 -0.028 0.000 1.054 86 T CA 1.641 63.712 62.100 -0.047 0.000 1.135 86 T CB -0.636 68.214 68.868 -0.030 0.000 0.869 86 T HN 0.332 nan 8.240 nan 0.000 0.466 87 N N 1.217 119.898 118.700 -0.032 0.000 2.142 87 N HA 0.109 4.849 4.740 0.000 0.000 0.186 87 N C 1.853 177.333 175.510 -0.050 0.000 1.023 87 N CA 0.651 53.661 53.050 -0.067 0.000 0.852 87 N CB -0.653 37.708 38.487 -0.211 0.000 0.998 87 N HN 0.301 nan 8.380 nan 0.000 0.424 88 L N 1.104 122.303 121.223 -0.040 0.000 2.127 88 L HA -0.177 4.163 4.340 0.000 0.000 0.211 88 L C 2.095 178.974 176.870 0.015 0.000 1.089 88 L CA 1.398 56.237 54.840 -0.001 0.000 0.757 88 L CB -0.565 41.500 42.059 0.009 0.000 0.899 88 L HN 0.294 nan 8.230 nan 0.000 0.434 89 S N -1.838 113.848 115.700 -0.023 0.000 2.419 89 S HA -0.200 4.270 4.470 0.000 0.000 0.235 89 S C 1.712 176.331 174.600 0.030 0.000 1.019 89 S CA 1.794 59.969 58.200 -0.042 0.000 0.982 89 S CB -0.646 62.501 63.200 -0.088 0.000 0.789 89 S HN 0.441 nan 8.310 nan 0.000 0.490 90 T N 1.225 115.842 114.554 0.106 0.000 2.951 90 T HA 0.136 4.487 4.350 0.000 0.000 0.268 90 T C 1.939 176.830 174.700 0.317 0.000 1.073 90 T CA 1.091 63.312 62.100 0.201 0.000 1.134 90 T CB -0.808 68.173 68.868 0.189 0.000 0.884 90 T HN 0.642 nan 8.240 nan 0.000 0.479 91 G N 1.369 110.325 108.800 0.260 0.000 2.394 91 G HA2 -0.061 3.899 3.960 0.000 0.000 0.215 91 G HA3 -0.061 3.899 3.960 0.000 0.000 0.215 91 G C 1.499 176.425 174.900 0.044 0.000 1.165 91 G CA 0.206 45.355 45.100 0.082 0.000 0.784 91 G HN 0.473 nan 8.290 nan 0.000 0.535 92 I N 1.489 122.080 120.570 0.035 0.000 2.208 92 I HA -0.225 3.945 4.170 0.000 0.000 0.245 92 I C 3.244 179.374 176.117 0.020 0.000 1.097 92 I CA 1.103 62.412 61.300 0.015 0.000 1.363 92 I CB -0.169 37.816 38.000 -0.026 0.000 1.051 92 I HN 0.245 nan 8.210 nan 0.000 0.413 93 A N 0.058 122.898 122.820 0.035 0.000 1.969 93 A HA -0.161 4.159 4.320 0.000 0.000 0.218 93 A C 2.358 179.971 177.584 0.048 0.000 1.169 93 A CA 2.116 54.173 52.037 0.033 0.000 0.635 93 A CB -0.906 18.116 19.000 0.037 0.000 0.810 93 A HN 0.371 nan 8.150 nan 0.000 0.445 94 T N -0.582 114.023 114.554 0.085 0.000 2.746 94 T HA -0.136 4.214 4.350 0.000 0.000 0.267 94 T C 2.298 177.021 174.700 0.038 0.000 1.039 94 T CA 1.777 63.929 62.100 0.087 0.000 1.142 94 T CB -0.290 68.667 68.868 0.147 0.000 0.866 94 T HN 0.562 nan 8.240 nan 0.000 0.444 95 S N 0.236 115.949 115.700 0.022 0.000 2.368 95 S HA -0.078 4.392 4.470 0.000 0.000 0.225 95 S C 2.171 176.773 174.600 0.004 0.000 1.030 95 S CA 1.202 59.405 58.200 0.004 0.000 0.999 95 S CB -0.531 62.670 63.200 0.001 0.000 0.844 95 S HN 0.274 nan 8.310 nan 0.000 0.459 96 V N 1.042 120.961 119.914 0.008 0.000 2.453 96 V HA 0.059 4.179 4.120 0.000 0.000 0.247 96 V C 2.149 178.242 176.094 -0.001 0.000 1.048 96 V CA 1.683 63.987 62.300 0.006 0.000 1.049 96 V CB -0.308 31.519 31.823 0.007 0.000 0.672 96 V HN 0.565 nan 8.190 nan 0.000 0.457 97 L N -0.470 120.750 121.223 -0.005 0.000 2.209 97 L HA 0.002 4.342 4.340 0.000 0.000 0.207 97 L C 2.000 178.852 176.870 -0.031 0.000 1.094 97 L CA 1.288 56.117 54.840 -0.018 0.000 0.790 97 L CB -0.335 41.710 42.059 -0.023 0.000 0.932 97 L HN 0.316 nan 8.230 nan 0.000 0.447 98 D N -0.287 120.097 120.400 -0.026 0.000 2.346 98 D HA 0.029 4.669 4.640 0.000 0.000 0.206 98 D C -0.178 176.105 176.300 -0.029 0.000 1.001 98 D CA 0.173 54.151 54.000 -0.036 0.000 0.871 98 D CB 0.344 41.124 40.800 -0.033 0.000 0.943 98 D HN -0.021 nan 8.370 nan 0.000 0.518 99 R N 0.426 120.914 120.500 -0.020 0.000 2.168 99 R HA -0.078 4.262 4.340 0.000 0.000 0.364 99 R C -0.807 175.480 176.300 -0.021 0.000 1.103 99 R CA 0.086 56.178 56.100 -0.014 0.000 0.832 99 R CB -3.083 27.212 30.300 -0.008 0.000 2.561 99 R HN 0.283 nan 8.270 nan 0.000 0.484 100 S N 0.480 116.167 115.700 -0.021 0.000 2.546 100 S HA 0.753 5.223 4.470 0.000 0.000 0.274 100 S C -2.809 171.782 174.600 -0.016 0.000 1.121 100 S CA -1.683 56.499 58.200 -0.029 0.000 0.887 100 S CB 3.599 66.770 63.200 -0.049 0.000 1.094 100 S HN 0.226 nan 8.310 nan 0.000 0.474 101 P HA 0.322 nan 4.420 nan 0.000 0.268 101 P C -0.937 176.358 177.300 -0.008 0.000 1.541 101 P CA -0.228 62.864 63.100 -0.014 0.000 1.093 101 P CB 0.394 32.083 31.700 -0.019 0.000 1.551 102 V N 5.791 125.707 119.914 0.004 0.000 2.448 102 V HA 0.295 4.415 4.120 0.000 0.000 0.295 102 V C 0.430 176.548 176.094 0.040 0.000 1.025 102 V CA -0.773 61.539 62.300 0.019 0.000 0.859 102 V CB 2.070 33.901 31.823 0.013 0.000 0.988 102 V HN 0.311 nan 8.190 nan 0.000 0.431 103 I N 4.554 125.153 120.570 0.048 0.000 2.291 103 I HA 0.513 4.683 4.170 0.000 0.000 0.290 103 I C 0.582 176.755 176.117 0.094 0.000 1.050 103 I CA -0.311 61.026 61.300 0.061 0.000 1.245 103 I CB 0.852 38.878 38.000 0.044 0.000 1.405 103 I HN 0.660 nan 8.210 nan 0.000 0.478 104 A N 8.323 131.217 122.820 0.124 0.000 2.276 104 A HA 0.828 5.148 4.320 0.000 0.000 0.316 104 A C -0.453 177.180 177.584 0.081 0.000 1.229 104 A CA -0.465 51.668 52.037 0.160 0.000 0.851 104 A CB 0.686 19.833 19.000 0.246 0.000 1.165 104 A HN 0.665 nan 8.150 nan 0.000 0.513 105 L N 1.929 123.122 121.223 -0.050 0.000 2.365 105 L HA 0.837 5.177 4.340 0.000 0.000 0.273 105 L C 0.183 176.734 176.870 -0.531 0.000 1.000 105 L CA -0.402 54.213 54.840 -0.376 0.000 0.819 105 L CB 2.124 43.947 42.059 -0.393 0.000 1.284 105 L HN 0.787 nan 8.230 nan 0.000 0.418 106 A N 1.806 124.299 122.820 -0.544 0.000 2.515 106 A HA 0.895 5.215 4.320 0.000 0.000 0.298 106 A C -0.560 176.812 177.584 -0.352 0.000 1.059 106 A CA -0.442 51.355 52.037 -0.399 0.000 0.698 106 A CB 1.589 20.626 19.000 0.061 0.000 1.289 106 A HN 0.777 nan 8.150 nan 0.000 0.404 107 A N 0.607 123.278 122.820 -0.249 0.000 2.366 107 A HA 0.604 4.925 4.320 0.000 0.000 0.249 107 A C 0.095 177.659 177.584 -0.034 0.000 1.084 107 A CA 0.171 52.156 52.037 -0.087 0.000 0.794 107 A CB 0.478 19.512 19.000 0.057 0.000 1.034 107 A HN 1.098 nan 8.150 nan 0.000 0.491 108 Q N 0.080 119.865 119.800 -0.025 0.000 2.421 108 Q HA 0.519 4.859 4.340 0.000 0.000 0.280 108 Q C -0.414 175.574 176.000 -0.020 0.000 1.085 108 Q CA -0.311 55.481 55.803 -0.018 0.000 0.807 108 Q CB 1.771 30.486 28.738 -0.039 0.000 1.405 108 Q HN 0.773 nan 8.270 nan 0.000 0.419 109 S N 1.861 117.549 115.700 -0.020 0.000 2.542 109 S HA -0.023 4.447 4.470 0.000 0.000 0.287 109 S C -0.420 174.119 174.600 -0.102 0.000 1.315 109 S CA 0.005 58.181 58.200 -0.041 0.000 1.037 109 S CB 0.003 63.178 63.200 -0.042 0.000 0.822 109 S HN 0.584 nan 8.310 nan 0.000 0.513 110 E N 1.658 121.773 120.200 -0.141 0.000 2.653 110 E HA -0.039 4.311 4.350 0.000 0.000 0.264 110 E C 1.386 177.774 176.600 -0.354 0.000 0.949 110 E CA 0.601 56.849 56.400 -0.252 0.000 0.953 110 E CB 0.300 29.776 29.700 -0.373 0.000 0.925 110 E HN 0.649 nan 8.360 nan 0.000 0.475 111 S N 3.094 118.637 115.700 -0.261 0.000 2.374 111 S HA -0.319 4.151 4.470 0.000 0.000 0.227 111 S C 1.667 176.127 174.600 -0.232 0.000 1.037 111 S CA 1.869 59.955 58.200 -0.190 0.000 1.024 111 S CB -0.674 62.482 63.200 -0.073 0.000 0.861 111 S HN 0.793 nan 8.310 nan 0.000 0.456 112 H N -0.136 118.889 119.070 -0.075 0.000 2.546 112 H HA 0.351 4.907 4.556 0.000 0.000 0.277 112 H C 0.931 176.184 175.328 -0.125 0.000 1.004 112 H CA 1.064 57.066 56.048 -0.075 0.000 1.231 112 H CB -0.478 29.278 29.762 -0.010 0.000 1.382 112 H HN 0.442 nan 8.280 nan 0.000 0.580 113 D N 0.243 120.392 120.400 -0.418 0.000 2.501 113 D HA 0.166 4.806 4.640 0.000 0.000 0.226 113 D C -0.478 175.601 176.300 -0.368 0.000 1.198 113 D CA -0.302 53.557 54.000 -0.236 0.000 0.830 113 D CB -0.171 40.553 40.800 -0.127 0.000 1.014 113 D HN 0.382 nan 8.370 nan 0.000 0.496 114 I N 1.486 121.709 120.570 -0.579 0.000 2.329 114 I HA 0.159 4.329 4.170 0.000 0.000 0.295 114 I C -0.617 175.073 176.117 -0.712 0.000 1.109 114 I CA -0.077 60.949 61.300 -0.457 0.000 1.297 114 I CB 0.039 37.862 38.000 -0.295 0.000 1.433 114 I HN -0.102 nan 8.210 nan 0.000 0.509 115 F N 7.351 127.303 119.950 0.004 0.000 2.676 115 F HA 0.404 4.931 4.527 0.000 0.000 0.371 115 F C -2.320 173.485 175.800 0.008 0.000 1.141 115 F CA -2.802 55.203 58.000 0.009 0.000 1.133 115 F CB 0.841 39.851 39.000 0.016 0.000 1.376 115 F HN 0.239 nan 8.300 nan 0.000 0.491 116 P HA 0.119 nan 4.420 nan 0.000 0.265 116 P C 0.057 177.406 177.300 0.080 0.000 1.193 116 P CA 0.521 63.664 63.100 0.073 0.000 0.765 116 P CB 0.451 32.174 31.700 0.039 0.000 0.823 117 N N 0.832 119.566 118.700 0.057 0.000 2.909 117 N HA -0.166 4.574 4.740 0.000 0.000 0.242 117 N C 0.201 175.744 175.510 0.055 0.000 0.975 117 N CA 1.344 54.419 53.050 0.042 0.000 0.921 117 N CB -1.465 37.040 38.487 0.030 0.000 1.112 117 N HN 0.509 nan 8.380 nan 0.000 0.581 118 D N -0.907 119.548 120.400 0.092 0.000 3.050 118 D HA 0.086 4.726 4.640 0.000 0.000 0.281 118 D C 0.133 176.501 176.300 0.114 0.000 1.246 118 D CA 0.646 54.697 54.000 0.085 0.000 1.073 118 D CB -0.187 40.658 40.800 0.075 0.000 1.382 118 D HN 0.016 nan 8.370 nan 0.000 0.433 119 T N 1.156 115.821 114.554 0.185 0.000 2.934 119 T HA -0.051 4.299 4.350 0.000 0.000 0.306 119 T C 0.268 175.067 174.700 0.166 0.000 1.042 119 T CA 0.330 62.546 62.100 0.194 0.000 1.145 119 T CB 0.047 69.046 68.868 0.219 0.000 0.982 119 T HN 0.124 nan 8.240 nan 0.000 0.544 120 H N 2.967 122.074 119.070 0.061 0.000 3.125 120 H HA -0.008 4.548 4.556 0.000 0.000 0.310 120 H C 1.060 176.412 175.328 0.039 0.000 0.980 120 H CA 0.699 56.773 56.048 0.044 0.000 1.422 120 H CB 0.097 29.883 29.762 0.040 0.000 1.432 120 H HN 0.793 nan 8.280 nan 0.000 0.577 121 Q N 1.645 121.336 119.800 -0.182 0.000 2.452 121 Q HA -0.266 4.074 4.340 0.000 0.000 0.248 121 Q C -0.667 175.332 176.000 -0.001 0.000 0.874 121 Q CA 0.944 56.681 55.803 -0.109 0.000 1.208 121 Q CB -1.701 27.022 28.738 -0.026 0.000 1.569 121 Q HN 0.604 nan 8.270 nan 0.000 0.579 122 C N 1.375 120.688 119.300 0.022 0.000 2.239 122 C HA 0.643 5.103 4.460 0.000 0.000 0.325 122 C C 0.286 175.287 174.990 0.019 0.000 1.231 122 C CA -0.539 58.497 59.018 0.031 0.000 1.652 122 C CB -0.436 27.336 27.740 0.053 0.000 2.284 122 C HN 0.335 nan 8.230 nan 0.000 0.499 123 L N 4.141 125.370 121.223 0.009 0.000 2.313 123 L HA 0.481 4.821 4.340 0.000 0.000 0.268 123 L C 0.083 176.956 176.870 0.004 0.000 1.010 123 L CA -0.495 54.346 54.840 0.003 0.000 0.814 123 L CB 1.079 43.132 42.059 -0.010 0.000 1.304 123 L HN 0.472 nan 8.230 nan 0.000 0.441 124 D N 0.031 120.430 120.400 -0.001 0.000 2.563 124 D HA 0.117 4.757 4.640 0.000 0.000 0.222 124 D C 0.846 177.143 176.300 -0.005 0.000 1.145 124 D CA 0.075 54.075 54.000 -0.001 0.000 1.001 124 D CB 0.733 41.530 40.800 -0.004 0.000 1.049 124 D HN 0.429 nan 8.370 nan 0.000 0.515 125 S N 0.777 116.490 115.700 0.022 0.000 2.365 125 S HA -0.158 4.312 4.470 0.000 0.000 0.225 125 S C 2.137 176.737 174.600 -0.001 0.000 1.039 125 S CA 1.015 59.230 58.200 0.025 0.000 1.033 125 S CB 0.005 63.328 63.200 0.205 0.000 0.887 125 S HN 0.446 nan 8.310 nan 0.000 0.447 126 V N 1.923 121.899 119.914 0.103 0.000 2.407 126 V HA -0.196 3.924 4.120 0.000 0.000 0.248 126 V C 2.607 178.691 176.094 -0.017 0.000 1.055 126 V CA 1.663 64.015 62.300 0.087 0.000 1.049 126 V CB -1.233 30.632 31.823 0.069 0.000 0.662 126 V HN 0.558 nan 8.190 nan 0.000 0.455 127 A N -0.274 122.531 122.820 -0.026 0.000 1.969 127 A HA -0.111 4.209 4.320 0.000 0.000 0.218 127 A C 2.159 179.707 177.584 -0.060 0.000 1.169 127 A CA 1.623 53.638 52.037 -0.037 0.000 0.635 127 A CB -0.475 18.510 19.000 -0.025 0.000 0.810 127 A HN 0.523 nan 8.150 nan 0.000 0.445 128 I N -0.850 119.669 120.570 -0.085 0.000 2.353 128 I HA -0.139 4.031 4.170 0.000 0.000 0.248 128 I C 1.941 177.964 176.117 -0.157 0.000 1.119 128 I CA 0.877 62.111 61.300 -0.111 0.000 1.417 128 I CB 0.072 38.000 38.000 -0.120 0.000 1.078 128 I HN 0.142 nan 8.210 nan 0.000 0.421 129 V N 0.197 119.973 119.914 -0.230 0.000 3.307 129 V HA 0.101 4.221 4.120 0.000 0.000 0.253 129 V C 2.489 178.490 176.094 -0.155 0.000 1.149 129 V CA 1.023 63.142 62.300 -0.300 0.000 1.112 129 V CB -0.132 31.253 31.823 -0.731 0.000 0.777 129 V HN 0.368 nan 8.190 nan 0.000 0.464 130 A N 1.412 124.174 122.820 -0.096 0.000 1.917 130 A HA -0.155 4.166 4.320 0.000 0.000 0.219 130 A C 0.463 178.026 177.584 -0.035 0.000 1.182 130 A CA 2.298 54.308 52.037 -0.045 0.000 0.633 130 A CB -1.837 17.140 19.000 -0.039 0.000 0.819 130 A HN 0.562 nan 8.150 nan 0.000 0.448 131 P HA -0.064 nan 4.420 nan 0.000 0.226 131 P C 1.179 178.463 177.300 -0.027 0.000 1.153 131 P CA 1.277 64.360 63.100 -0.030 0.000 0.777 131 P CB -0.150 31.530 31.700 -0.033 0.000 0.794 132 M N -2.621 116.955 119.600 -0.040 0.000 2.560 132 M HA 0.360 4.840 4.480 0.000 0.000 0.297 132 M C -0.347 175.942 176.300 -0.017 0.000 1.201 132 M CA -0.302 54.979 55.300 -0.032 0.000 0.973 132 M CB 0.299 32.870 32.600 -0.047 0.000 1.401 132 M HN -0.245 nan 8.290 nan 0.000 0.497 133 S N -1.276 114.423 115.700 -0.001 0.000 2.618 133 S HA 0.557 5.027 4.470 0.000 0.000 0.277 133 S C 0.277 174.913 174.600 0.060 0.000 1.138 133 S CA -0.981 57.240 58.200 0.036 0.000 0.844 133 S CB 1.718 64.952 63.200 0.056 0.000 1.127 133 S HN 0.144 nan 8.310 nan 0.000 0.474 134 K N -0.126 120.328 120.400 0.090 0.000 2.365 134 K HA 0.170 4.490 4.320 0.000 0.000 0.199 134 K C -0.498 176.215 176.600 0.190 0.000 1.045 134 K CA 0.987 57.338 56.287 0.107 0.000 0.962 134 K CB -0.523 32.030 32.500 0.087 0.000 0.759 134 K HN 0.747 nan 8.250 nan 0.000 0.469 135 Y N -1.056 119.264 120.300 0.034 0.000 2.337 135 Y HA 0.384 4.934 4.550 0.000 0.000 0.318 135 Y C -2.102 173.847 175.900 0.082 0.000 1.258 135 Y CA -1.024 57.100 58.100 0.039 0.000 1.132 135 Y CB 1.049 39.522 38.460 0.021 0.000 1.307 135 Y HN -0.075 nan 8.280 nan 0.000 0.428 136 A N 5.289 127.935 122.820 -0.291 0.000 2.408 136 A HA 0.829 5.149 4.320 0.000 0.000 0.295 136 A C -2.089 175.308 177.584 -0.311 0.000 1.040 136 A CA -0.416 51.562 52.037 -0.098 0.000 0.707 136 A CB 1.560 20.593 19.000 0.056 0.000 1.235 136 A HN 1.277 nan 8.150 nan 0.000 0.418 137 V N 1.536 121.299 119.914 -0.251 0.000 3.120 137 V HA 0.654 4.774 4.120 0.000 0.000 0.303 137 V C -1.208 174.782 176.094 -0.175 0.000 1.238 137 V CA -0.508 61.640 62.300 -0.254 0.000 1.008 137 V CB 2.135 33.746 31.823 -0.354 0.000 1.064 137 V HN 1.014 nan 8.190 nan 0.000 0.434 138 E N 3.325 123.451 120.200 -0.124 0.000 2.145 138 E HA 0.473 4.823 4.350 0.000 0.000 0.270 138 E C -0.919 175.626 176.600 -0.092 0.000 0.906 138 E CA -0.866 55.467 56.400 -0.112 0.000 0.761 138 E CB 1.715 31.371 29.700 -0.073 0.000 1.116 138 E HN 0.704 nan 8.360 nan 0.000 0.408 139 L N 4.177 125.342 121.223 -0.097 0.000 2.540 139 L HA -0.063 4.277 4.340 0.000 0.000 0.276 139 L C 0.301 177.141 176.870 -0.049 0.000 1.212 139 L CA 1.382 56.182 54.840 -0.066 0.000 0.893 139 L CB 0.450 42.472 42.059 -0.062 0.000 1.138 139 L HN 0.789 nan 8.230 nan 0.000 0.491 140 Q N 3.529 123.308 119.800 -0.034 0.000 2.384 140 Q HA 0.297 4.637 4.340 0.000 0.000 0.264 140 Q C -0.185 175.819 176.000 0.005 0.000 0.825 140 Q CA -0.054 55.738 55.803 -0.019 0.000 0.984 140 Q CB 0.919 29.646 28.738 -0.018 0.000 1.183 140 Q HN 0.587 nan 8.270 nan 0.000 0.537 141 R N 0.949 121.454 120.500 0.008 0.000 2.451 141 R HA 0.248 4.588 4.340 0.000 0.000 0.307 141 R C -2.224 174.102 176.300 0.044 0.000 0.965 141 R CA -1.813 54.321 56.100 0.056 0.000 0.865 141 R CB 1.497 31.856 30.300 0.099 0.000 1.174 141 R HN -0.114 nan 8.270 nan 0.000 0.455 142 P HA -0.268 nan 4.420 nan 0.000 0.217 142 P C 0.919 178.259 177.300 0.067 0.000 1.151 142 P CA 1.404 64.542 63.100 0.064 0.000 0.849 142 P CB 0.052 31.799 31.700 0.077 0.000 0.787 143 H N -0.485 118.596 119.070 0.017 0.000 2.524 143 H HA 0.072 4.628 4.556 0.000 0.000 0.282 143 H C 1.148 176.490 175.328 0.025 0.000 1.016 143 H CA 0.945 57.005 56.048 0.020 0.000 1.270 143 H CB -0.702 29.069 29.762 0.015 0.000 1.394 143 H HN 0.227 nan 8.280 nan 0.000 0.568 144 E N 0.339 120.228 120.200 -0.520 0.000 2.427 144 E HA -0.031 4.319 4.350 0.000 0.000 0.196 144 E C 1.824 178.338 176.600 -0.144 0.000 1.028 144 E CA 0.234 56.395 56.400 -0.397 0.000 0.864 144 E CB -0.016 29.482 29.700 -0.337 0.000 0.813 144 E HN 0.284 nan 8.360 nan 0.000 0.514 145 I N 1.324 121.848 120.570 -0.077 0.000 2.315 145 I HA -0.296 3.874 4.170 0.000 0.000 0.251 145 I C 1.960 178.078 176.117 0.002 0.000 1.125 145 I CA 1.574 62.863 61.300 -0.018 0.000 1.392 145 I CB -0.241 37.766 38.000 0.012 0.000 1.065 145 I HN -0.013 nan 8.210 nan 0.000 0.424 146 T N 0.510 115.064 114.554 -0.001 0.000 2.737 146 T HA -0.184 4.166 4.350 0.000 0.000 0.265 146 T C 1.427 176.141 174.700 0.022 0.000 1.038 146 T CA 1.726 63.840 62.100 0.024 0.000 1.144 146 T CB -0.517 68.368 68.868 0.029 0.000 0.866 146 T HN 0.707 nan 8.240 nan 0.000 0.434 147 D N 1.124 121.519 120.400 -0.007 0.000 2.219 147 D HA -0.047 4.593 4.640 0.000 0.000 0.205 147 D C 1.964 178.264 176.300 0.001 0.000 0.970 147 D CA 0.736 54.734 54.000 -0.003 0.000 0.851 147 D CB -0.636 40.155 40.800 -0.015 0.000 0.943 147 D HN 0.338 nan 8.370 nan 0.000 0.488 148 L N 0.192 121.422 121.223 0.012 0.000 2.072 148 L HA -0.072 4.268 4.340 0.000 0.000 0.205 148 L C 2.522 179.395 176.870 0.005 0.000 1.079 148 L CA 0.492 55.365 54.840 0.055 0.000 0.752 148 L CB -0.335 41.763 42.059 0.065 0.000 0.906 148 L HN 0.056 nan 8.230 nan 0.000 0.436 149 V N 0.033 119.953 119.914 0.010 0.000 2.332 149 V HA -0.306 3.814 4.120 0.000 0.000 0.248 149 V C 2.111 178.164 176.094 -0.068 0.000 1.055 149 V CA 1.979 64.279 62.300 -0.000 0.000 1.038 149 V CB -0.535 31.336 31.823 0.080 0.000 0.651 149 V HN 0.429 nan 8.190 nan 0.000 0.450 150 D N -0.093 120.304 120.400 -0.005 0.000 2.117 150 D HA -0.112 4.528 4.640 0.000 0.000 0.197 150 D C 2.448 178.646 176.300 -0.171 0.000 0.987 150 D CA 1.629 55.619 54.000 -0.017 0.000 0.829 150 D CB -0.280 40.556 40.800 0.060 0.000 0.961 150 D HN 0.360 nan 8.370 nan 0.000 0.460 151 S N 0.118 115.678 115.700 -0.235 0.000 2.402 151 S HA -0.061 4.410 4.470 0.000 0.000 0.229 151 S C 2.021 176.138 174.600 -0.806 0.000 1.021 151 S CA 0.888 58.828 58.200 -0.434 0.000 0.974 151 S CB -0.056 62.929 63.200 -0.357 0.000 0.800 151 S HN 0.351 nan 8.310 nan 0.000 0.484 152 A N 0.951 123.323 122.820 -0.748 0.000 1.898 152 A HA -0.001 4.319 4.320 0.000 0.000 0.216 152 A C 2.283 179.673 177.584 -0.323 0.000 1.181 152 A CA 1.212 52.904 52.037 -0.576 0.000 0.620 152 A CB -0.755 18.124 19.000 -0.201 0.000 0.819 152 A HN 0.339 nan 8.150 nan 0.000 0.442 153 V N 0.941 120.665 119.914 -0.318 0.000 2.358 153 V HA -0.240 3.880 4.120 0.000 0.000 0.246 153 V C 2.338 178.296 176.094 -0.227 0.000 1.047 153 V CA 2.058 64.170 62.300 -0.313 0.000 1.035 153 V CB -0.967 30.503 31.823 -0.589 0.000 0.658 153 V HN 0.532 nan 8.190 nan 0.000 0.452 154 N N 0.755 119.319 118.700 -0.227 0.000 2.043 154 N HA -0.153 4.587 4.740 0.000 0.000 0.193 154 N C 1.859 177.295 175.510 -0.123 0.000 1.037 154 N CA 1.913 54.873 53.050 -0.151 0.000 0.851 154 N CB -0.529 37.871 38.487 -0.144 0.000 1.027 154 N HN 0.490 nan 8.380 nan 0.000 0.422 155 A N 0.479 123.203 122.820 -0.160 0.000 1.968 155 A HA 0.162 4.482 4.320 0.000 0.000 0.217 155 A C 2.291 179.850 177.584 -0.042 0.000 1.169 155 A CA 1.603 53.594 52.037 -0.077 0.000 0.638 155 A CB -0.623 18.349 19.000 -0.047 0.000 0.812 155 A HN 0.318 nan 8.150 nan 0.000 0.446 156 A N -1.090 121.691 122.820 -0.066 0.000 1.930 156 A HA -0.004 4.316 4.320 0.000 0.000 0.217 156 A C 1.828 179.391 177.584 -0.034 0.000 1.175 156 A CA 1.562 53.577 52.037 -0.037 0.000 0.627 156 A CB -0.307 18.663 19.000 -0.050 0.000 0.815 156 A HN 0.383 nan 8.150 nan 0.000 0.443 157 M N 0.831 120.401 119.600 -0.050 0.000 2.493 157 M HA 0.132 4.612 4.480 0.000 0.000 0.244 157 M C -0.474 175.811 176.300 -0.024 0.000 1.182 157 M CA 0.506 55.785 55.300 -0.035 0.000 0.981 157 M CB -0.658 31.916 32.600 -0.042 0.000 1.551 157 M HN 0.126 nan 8.290 nan 0.000 0.476 158 T N 1.168 115.709 114.554 -0.022 0.000 2.794 158 T HA 0.280 4.630 4.350 0.000 0.000 0.280 158 T C 0.338 175.033 174.700 -0.008 0.000 0.987 158 T CA -0.633 61.458 62.100 -0.014 0.000 0.993 158 T CB 1.904 70.764 68.868 -0.012 0.000 0.939 158 T HN 0.100 nan 8.240 nan 0.000 0.449 159 E N 3.930 124.125 120.200 -0.009 0.000 2.384 159 E HA 0.150 4.500 4.350 0.000 0.000 0.266 159 E C -2.148 174.450 176.600 -0.002 0.000 1.012 159 E CA -1.795 54.601 56.400 -0.006 0.000 0.901 159 E CB 0.368 30.061 29.700 -0.012 0.000 0.967 159 E HN 0.350 nan 8.360 nan 0.000 0.435 160 P HA 0.020 nan 4.420 nan 0.000 0.276 160 P C 0.025 177.326 177.300 0.003 0.000 1.243 160 P CA -0.356 62.745 63.100 0.001 0.000 0.768 160 P CB 0.552 32.254 31.700 0.003 0.000 0.856 161 V N 1.382 121.297 119.914 0.001 0.000 2.999 161 V HA 0.741 4.861 4.120 0.000 0.000 0.307 161 V C 0.563 176.658 176.094 0.002 0.000 1.084 161 V CA 0.441 62.741 62.300 -0.000 0.000 1.155 161 V CB -0.003 31.819 31.823 -0.001 0.000 0.975 161 V HN 0.897 nan 8.190 nan 0.000 0.490 162 G N 2.636 111.438 108.800 0.004 0.000 2.430 162 G HA2 0.599 4.559 3.960 0.000 0.000 0.300 162 G HA3 0.599 4.559 3.960 0.000 0.000 0.300 162 G C -3.507 171.406 174.900 0.022 0.000 1.330 162 G CA -0.559 44.548 45.100 0.012 0.000 0.813 162 G HN 0.751 nan 8.290 nan 0.000 0.487 163 P HA 0.499 nan 4.420 nan 0.000 0.286 163 P C -0.708 176.653 177.300 0.101 0.000 1.261 163 P CA -0.220 62.915 63.100 0.058 0.000 0.821 163 P CB 1.880 33.614 31.700 0.055 0.000 1.013 164 S N 1.888 117.665 115.700 0.127 0.000 2.513 164 S HA 0.604 5.074 4.470 0.000 0.000 0.299 164 S C -1.035 173.725 174.600 0.267 0.000 1.087 164 S CA -0.323 58.010 58.200 0.221 0.000 1.012 164 S CB 0.631 63.925 63.200 0.157 0.000 1.044 164 S HN 0.424 nan 8.310 nan 0.000 0.485 165 F N 3.468 123.495 119.950 0.127 0.000 2.482 165 F HA 0.694 5.221 4.527 -0.000 0.000 0.331 165 F C -1.243 174.580 175.800 0.038 0.000 1.115 165 F CA -1.078 56.947 58.000 0.040 0.000 0.955 165 F CB 0.636 39.628 39.000 -0.013 0.000 1.136 165 F HN 0.433 nan 8.300 nan 0.000 0.452 166 I N 4.846 124.949 120.570 -0.779 0.000 2.418 166 I HA 0.262 4.432 4.170 0.000 0.000 0.287 166 I C -0.437 175.023 176.117 -1.095 0.000 1.008 166 I CA -0.789 60.097 61.300 -0.690 0.000 1.104 166 I CB 1.865 39.699 38.000 -0.277 0.000 1.264 166 I HN 0.518 nan 8.210 nan 0.000 0.438 167 S N 7.049 122.228 115.700 -0.869 0.000 2.499 167 S HA 0.655 5.125 4.470 0.000 0.000 0.279 167 S C -0.571 173.855 174.600 -0.291 0.000 1.219 167 S CA -0.455 57.425 58.200 -0.533 0.000 1.062 167 S CB 0.438 63.523 63.200 -0.192 0.000 0.978 167 S HN 0.480 nan 8.310 nan 0.000 0.489 168 L N 6.587 127.672 121.223 -0.230 0.000 2.384 168 L HA 0.400 4.740 4.340 0.000 0.000 0.261 168 L C -2.458 174.369 176.870 -0.073 0.000 1.024 168 L CA -2.051 52.706 54.840 -0.140 0.000 0.899 168 L CB 1.520 43.493 42.059 -0.143 0.000 1.243 168 L HN 0.442 nan 8.230 nan 0.000 0.449 169 P HA -0.015 nan 4.420 nan 0.000 0.264 169 P C 1.161 178.448 177.300 -0.020 0.000 1.193 169 P CA 0.002 63.073 63.100 -0.050 0.000 0.763 169 P CB 1.138 32.799 31.700 -0.066 0.000 0.810 170 V N 3.208 123.116 119.914 -0.009 0.000 2.407 170 V HA -0.250 3.870 4.120 0.000 0.000 0.248 170 V C 1.972 178.077 176.094 0.019 0.000 1.055 170 V CA 2.467 64.779 62.300 0.021 0.000 1.049 170 V CB -1.055 30.785 31.823 0.028 0.000 0.662 170 V HN 0.663 nan 8.190 nan 0.000 0.455 171 D N 0.364 120.767 120.400 0.006 0.000 2.117 171 D HA -0.195 4.446 4.640 0.000 0.000 0.197 171 D C 2.008 178.325 176.300 0.027 0.000 0.987 171 D CA 1.423 55.439 54.000 0.027 0.000 0.829 171 D CB -0.586 40.243 40.800 0.048 0.000 0.961 171 D HN 0.438 nan 8.370 nan 0.000 0.460 172 L N -0.436 120.797 121.223 0.016 0.000 2.109 172 L HA -0.057 4.284 4.340 0.000 0.000 0.207 172 L C 2.624 179.509 176.870 0.024 0.000 1.086 172 L CA 0.313 55.165 54.840 0.020 0.000 0.760 172 L CB -0.440 41.623 42.059 0.007 0.000 0.910 172 L HN 0.040 nan 8.230 nan 0.000 0.437 173 L N 0.566 121.805 121.223 0.026 0.000 2.083 173 L HA -0.079 4.261 4.340 0.000 0.000 0.209 173 L C 2.026 178.914 176.870 0.030 0.000 1.083 173 L CA 1.959 56.824 54.840 0.041 0.000 0.752 173 L CB -0.860 41.242 42.059 0.070 0.000 0.899 173 L HN 0.129 nan 8.230 nan 0.000 0.433 174 G N -1.545 107.269 108.800 0.023 0.000 3.233 174 G HA2 0.070 4.030 3.960 0.000 0.000 0.227 174 G HA3 0.070 4.030 3.960 0.000 0.000 0.227 174 G C 0.401 175.310 174.900 0.016 0.000 1.175 174 G CA 0.499 45.606 45.100 0.013 0.000 0.781 174 G HN 0.389 nan 8.290 nan 0.000 0.542 175 S N 0.030 115.744 115.700 0.023 0.000 2.541 175 S HA 0.410 4.880 4.470 0.000 0.000 0.283 175 S C 1.393 176.007 174.600 0.024 0.000 1.196 175 S CA 0.214 58.428 58.200 0.024 0.000 1.062 175 S CB 1.508 64.726 63.200 0.031 0.000 1.009 175 S HN 0.294 nan 8.310 nan 0.000 0.502 176 S N 2.541 118.250 115.700 0.014 0.000 2.577 176 S HA 0.203 4.673 4.470 0.000 0.000 0.219 176 S C 0.367 174.974 174.600 0.012 0.000 0.962 176 S CA -0.408 57.797 58.200 0.009 0.000 0.921 176 S CB -0.281 62.913 63.200 -0.008 0.000 0.789 176 S HN 0.830 nan 8.310 nan 0.000 0.497 177 E N 1.174 121.386 120.200 0.019 0.000 2.417 177 E HA 0.322 4.672 4.350 0.000 0.000 0.261 177 E C 1.142 177.754 176.600 0.019 0.000 1.000 177 E CA 0.829 57.237 56.400 0.014 0.000 0.919 177 E CB -0.013 29.699 29.700 0.020 0.000 0.955 177 E HN 0.592 nan 8.360 nan 0.000 0.455 178 G N 4.199 112.982 108.800 -0.028 0.000 2.179 178 G HA2 -0.287 3.674 3.960 0.000 0.000 0.260 178 G HA3 -0.287 3.674 3.960 0.000 0.000 0.260 178 G C 0.242 175.113 174.900 -0.049 0.000 0.977 178 G CA 0.263 45.300 45.100 -0.105 0.000 0.641 178 G HN 0.561 nan 8.290 nan 0.000 0.533 179 I N 1.918 122.496 120.570 0.014 0.000 2.315 179 I HA 0.561 4.731 4.170 0.000 0.000 0.291 179 I C 0.421 176.536 176.117 -0.003 0.000 1.006 179 I CA 0.431 61.753 61.300 0.037 0.000 1.265 179 I CB 1.303 39.331 38.000 0.047 0.000 1.387 179 I HN 0.266 nan 8.210 nan 0.000 0.475 180 D N 4.171 124.570 120.400 -0.002 0.000 2.362 180 D HA 0.753 5.393 4.640 0.000 0.000 0.247 180 D C 0.174 176.464 176.300 -0.017 0.000 1.050 180 D CA -0.059 53.931 54.000 -0.017 0.000 0.839 180 D CB 1.718 42.508 40.800 -0.017 0.000 1.283 180 D HN 0.730 nan 8.370 nan 0.000 0.477 185 N N 3.513 122.221 118.700 0.014 0.000 2.452 185 N HA 0.258 4.998 4.740 0.000 0.000 0.266 185 N C -1.749 173.760 175.510 -0.002 0.000 1.175 185 N CA -0.636 52.420 53.050 0.010 0.000 0.945 185 N CB 0.621 39.112 38.487 0.006 0.000 1.063 185 N HN 0.308 nan 8.380 nan 0.000 0.472 186 P HA 0.199 nan 4.420 nan 0.000 0.269 186 P C -2.533 174.754 177.300 -0.020 0.000 1.215 186 P CA -0.896 62.202 63.100 -0.003 0.000 0.780 186 P CB -0.308 31.396 31.700 0.006 0.000 0.898 187 P HA -0.001 nan 4.420 nan 0.000 0.267 187 P C 0.469 177.738 177.300 -0.050 0.000 1.200 187 P CA -0.016 63.064 63.100 -0.033 0.000 0.772 187 P CB 0.494 32.184 31.700 -0.016 0.000 0.855 188 A N 2.752 125.512 122.820 -0.100 0.000 1.898 188 A HA -0.099 4.221 4.320 0.000 0.000 0.214 188 A C 0.753 178.340 177.584 0.004 0.000 1.183 188 A CA 0.734 52.668 52.037 -0.172 0.000 0.622 188 A CB -1.008 17.747 19.000 -0.408 0.000 0.824 188 A HN 0.667 nan 8.150 nan 0.000 0.444 189 N N 0.642 119.349 118.700 0.012 0.000 2.705 189 N HA -0.114 4.626 4.740 0.000 0.000 0.255 189 N C -0.661 174.907 175.510 0.096 0.000 1.008 189 N CA 1.301 54.379 53.050 0.046 0.000 0.742 189 N CB -2.017 36.492 38.487 0.037 0.000 0.906 189 N HN 0.483 nan 8.380 nan 0.000 0.541 190 T N 1.871 116.505 114.554 0.134 0.000 2.817 190 T HA 0.225 4.575 4.350 0.000 0.000 0.295 190 T C -1.676 173.069 174.700 0.075 0.000 0.958 190 T CA -0.658 61.543 62.100 0.168 0.000 1.157 190 T CB 0.627 69.624 68.868 0.215 0.000 0.898 190 T HN 0.100 nan 8.240 nan 0.000 0.536 191 P HA 0.210 nan 4.420 nan 0.000 0.265 191 P C 0.326 177.643 177.300 0.029 0.000 1.193 191 P CA -0.256 62.860 63.100 0.027 0.000 0.765 191 P CB 0.486 32.191 31.700 0.009 0.000 0.823 192 A N 3.379 126.215 122.820 0.027 0.000 2.072 192 A HA 0.024 4.344 4.320 0.000 0.000 0.216 192 A C 0.838 178.437 177.584 0.026 0.000 1.156 192 A CA 1.111 53.165 52.037 0.028 0.000 0.701 192 A CB -0.446 18.570 19.000 0.026 0.000 0.816 192 A HN 0.664 nan 8.150 nan 0.000 0.458 193 K N -1.211 119.201 120.400 0.021 0.000 2.533 193 K HA 0.582 4.902 4.320 0.000 0.000 0.272 193 K C -3.497 173.109 176.600 0.011 0.000 0.985 193 K CA -2.022 54.277 56.287 0.019 0.000 0.876 193 K CB 1.123 33.635 32.500 0.019 0.000 1.452 193 K HN -0.220 nan 8.250 nan 0.000 0.439 194 P HA 0.015 nan 4.420 nan 0.000 0.268 194 P C -0.652 176.644 177.300 -0.007 0.000 1.205 194 P CA -0.502 62.598 63.100 -0.000 0.000 0.771 194 P CB 0.623 32.324 31.700 0.002 0.000 0.858 195 V N 3.406 123.314 119.914 -0.010 0.000 2.529 195 V HA 0.348 4.468 4.120 0.000 0.000 0.292 195 V C 1.176 177.258 176.094 -0.020 0.000 1.028 195 V CA 0.825 63.117 62.300 -0.014 0.000 1.074 195 V CB 0.042 31.857 31.823 -0.013 0.000 0.958 195 V HN 0.793 nan 8.190 nan 0.000 0.481 196 G N 3.076 111.859 108.800 -0.029 0.000 2.600 196 G HA2 0.654 4.614 3.960 0.000 0.000 0.303 196 G HA3 0.654 4.614 3.960 0.000 0.000 0.303 196 G C -0.705 174.170 174.900 -0.042 0.000 1.253 196 G CA -0.459 44.617 45.100 -0.040 0.000 0.974 196 G HN 0.930 nan 8.290 nan 0.000 0.483 197 V N -0.943 118.945 119.914 -0.045 0.000 2.644 197 V HA 0.801 4.921 4.120 0.000 0.000 0.295 197 V C -0.632 175.422 176.094 -0.066 0.000 1.053 197 V CA -0.576 61.701 62.300 -0.038 0.000 0.987 197 V CB 1.360 33.171 31.823 -0.020 0.000 1.006 197 V HN 0.539 nan 8.190 nan 0.000 0.472 198 V N 5.127 125.015 119.914 -0.044 0.000 2.525 198 V HA 0.761 4.882 4.120 0.000 0.000 0.299 198 V C 0.506 176.627 176.094 0.046 0.000 1.034 198 V CA -0.128 62.141 62.300 -0.052 0.000 0.863 198 V CB 1.234 33.024 31.823 -0.056 0.000 0.999 198 V HN 1.393 nan 8.190 nan 0.000 0.423 199 A N 2.853 125.724 122.820 0.085 0.000 2.388 199 A HA 0.499 4.819 4.320 0.000 0.000 0.257 199 A C 0.035 177.744 177.584 0.208 0.000 1.095 199 A CA -0.206 51.904 52.037 0.123 0.000 0.791 199 A CB 0.238 19.300 19.000 0.104 0.000 1.029 199 A HN 0.930 nan 8.150 nan 0.000 0.489 200 D N 1.100 121.579 120.400 0.132 0.000 2.488 200 D HA 0.359 4.999 4.640 0.000 0.000 0.238 200 D C 1.358 177.704 176.300 0.077 0.000 1.138 200 D CA 1.981 56.041 54.000 0.100 0.000 0.873 200 D CB 0.244 41.075 40.800 0.052 0.000 1.183 200 D HN 1.233 nan 8.370 nan 0.000 0.458 201 G N 3.745 112.548 108.800 0.005 0.000 2.198 201 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 201 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 201 G C 1.029 175.921 174.900 -0.014 0.000 1.025 201 G CA 0.522 45.587 45.100 -0.058 0.000 0.769 201 G HN 0.707 nan 8.290 nan 0.000 0.507 202 W N -0.464 120.837 121.300 0.002 0.000 2.374 202 W HA -0.084 4.576 4.660 0.000 0.000 0.288 202 W C 1.449 178.000 176.519 0.053 0.000 1.218 202 W CA 1.302 58.662 57.345 0.025 0.000 1.245 202 W CB -0.659 28.815 29.460 0.024 0.000 1.126 202 W HN 0.408 nan 8.180 nan 0.000 0.545 203 Q N 1.510 120.780 119.800 -0.884 0.000 2.124 203 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 203 Q C 2.220 178.109 176.000 -0.184 0.000 0.977 203 Q CA 2.306 57.550 55.803 -0.931 0.000 0.850 203 Q CB -0.385 27.585 28.738 -1.280 0.000 0.901 203 Q HN 0.290 nan 8.270 nan 0.000 0.429 204 K N 0.075 120.393 120.400 -0.137 0.000 2.057 204 K HA -0.073 4.247 4.320 0.000 0.000 0.207 204 K C 2.094 178.743 176.600 0.082 0.000 1.049 204 K CA 1.189 57.473 56.287 -0.005 0.000 0.931 204 K CB -0.240 32.246 32.500 -0.023 0.000 0.714 204 K HN 0.205 nan 8.250 nan 0.000 0.440 205 A N 1.404 124.289 122.820 0.108 0.000 1.902 205 A HA -0.122 4.198 4.320 0.000 0.000 0.217 205 A C 2.369 180.101 177.584 0.246 0.000 1.181 205 A CA 1.838 53.966 52.037 0.152 0.000 0.623 205 A CB -0.802 18.284 19.000 0.143 0.000 0.818 205 A HN 0.331 nan 8.150 nan 0.000 0.443 206 A N 0.267 123.311 122.820 0.374 0.000 1.940 206 A HA -0.218 4.102 4.320 0.000 0.000 0.219 206 A C 1.715 179.580 177.584 0.468 0.000 1.176 206 A CA 1.980 54.369 52.037 0.586 0.000 0.631 206 A CB -0.616 18.890 19.000 0.844 0.000 0.814 206 A HN 0.490 nan 8.150 nan 0.000 0.446 207 D N -0.456 120.125 120.400 0.302 0.000 2.144 207 D HA -0.150 4.490 4.640 0.000 0.000 0.199 207 D C 2.120 178.531 176.300 0.185 0.000 0.984 207 D CA 1.504 55.614 54.000 0.184 0.000 0.834 207 D CB -0.481 40.392 40.800 0.121 0.000 0.955 207 D HN 0.637 nan 8.370 nan 0.000 0.465 208 Q N 0.285 120.191 119.800 0.176 0.000 2.124 208 Q HA -0.052 4.289 4.340 0.000 0.000 0.202 208 Q C 2.188 178.304 176.000 0.192 0.000 0.977 208 Q CA 1.460 57.352 55.803 0.148 0.000 0.850 208 Q CB -0.103 28.701 28.738 0.109 0.000 0.901 208 Q HN 0.248 nan 8.270 nan 0.000 0.429 209 A N 0.807 123.789 122.820 0.270 0.000 1.930 209 A HA -0.102 4.218 4.320 0.000 0.000 0.217 209 A C 2.262 180.141 177.584 0.491 0.000 1.175 209 A CA 1.463 53.702 52.037 0.336 0.000 0.627 209 A CB -0.767 18.441 19.000 0.346 0.000 0.815 209 A HN 0.402 nan 8.150 nan 0.000 0.443 210 A N -0.119 123.014 122.820 0.521 0.000 1.933 210 A HA 0.151 4.471 4.320 0.000 0.000 0.218 210 A C 2.448 180.227 177.584 0.325 0.000 1.175 210 A CA 2.016 54.234 52.037 0.301 0.000 0.628 210 A CB -0.869 18.110 19.000 -0.035 0.000 0.814 210 A HN 1.026 nan 8.150 nan 0.000 0.444 211 A N -0.391 122.565 122.820 0.226 0.000 1.968 211 A HA 0.067 4.387 4.320 0.000 0.000 0.217 211 A C 2.127 179.769 177.584 0.096 0.000 1.169 211 A CA 1.266 53.386 52.037 0.138 0.000 0.638 211 A CB -0.485 18.573 19.000 0.095 0.000 0.812 211 A HN 0.468 nan 8.150 nan 0.000 0.446 212 L N -1.029 120.274 121.223 0.133 0.000 2.056 212 L HA -0.144 4.196 4.340 0.000 0.000 0.207 212 L C 2.522 179.454 176.870 0.103 0.000 1.078 212 L CA 1.090 55.991 54.840 0.101 0.000 0.749 212 L CB -0.567 41.556 42.059 0.108 0.000 0.901 212 L HN 0.459 nan 8.230 nan 0.000 0.433 213 L N 0.455 121.796 121.223 0.196 0.000 2.079 213 L HA -0.155 4.185 4.340 0.000 0.000 0.210 213 L C 2.602 179.488 176.870 0.027 0.000 1.081 213 L CA 1.972 56.934 54.840 0.204 0.000 0.752 213 L CB -0.730 41.571 42.059 0.403 0.000 0.896 213 L HN 0.146 nan 8.230 nan 0.000 0.433 214 A N -0.753 121.986 122.820 -0.135 0.000 1.902 214 A HA -0.160 4.160 4.320 0.000 0.000 0.217 214 A C 2.090 179.512 177.584 -0.269 0.000 1.181 214 A CA 1.668 53.382 52.037 -0.538 0.000 0.623 214 A CB -0.518 18.039 19.000 -0.738 0.000 0.818 214 A HN 0.565 nan 8.150 nan 0.000 0.443 215 E N 0.304 120.425 120.200 -0.131 0.000 2.208 215 E HA 0.090 4.440 4.350 0.000 0.000 0.193 215 E C 1.043 177.613 176.600 -0.049 0.000 0.988 215 E CA 0.695 57.048 56.400 -0.078 0.000 0.828 215 E CB -0.556 29.122 29.700 -0.035 0.000 0.763 215 E HN 0.548 nan 8.360 nan 0.000 0.478 216 A N 1.135 123.937 122.820 -0.030 0.000 2.401 216 A HA 0.385 4.705 4.320 0.000 0.000 0.259 216 A C 1.325 178.891 177.584 -0.031 0.000 1.103 216 A CA 0.555 52.590 52.037 -0.002 0.000 0.789 216 A CB 0.596 19.614 19.000 0.029 0.000 1.035 216 A HN 0.183 nan 8.150 nan 0.000 0.491 217 K N 0.855 121.250 120.400 -0.009 0.000 2.242 217 K HA 0.097 4.418 4.320 0.000 0.000 0.200 217 K C 0.582 176.992 176.600 -0.317 0.000 1.050 217 K CA 1.369 57.594 56.287 -0.105 0.000 0.981 217 K CB -0.117 32.404 32.500 0.036 0.000 0.795 217 K HN 0.881 nan 8.250 nan 0.000 0.477 218 H N 0.379 119.446 119.070 -0.006 0.000 2.490 218 H HA 0.230 4.786 4.556 0.000 0.000 0.230 218 H C -2.933 172.365 175.328 -0.050 0.000 1.417 218 H CA -1.749 54.286 56.048 -0.022 0.000 1.449 218 H CB 1.547 31.271 29.762 -0.063 0.000 1.649 218 H HN 0.277 nan 8.280 nan 0.000 0.519 219 P HA 0.182 nan 4.420 nan 0.000 0.279 219 P C 0.019 177.330 177.300 0.017 0.000 1.252 219 P CA -0.509 62.612 63.100 0.035 0.000 0.811 219 P CB 2.399 34.134 31.700 0.057 0.000 1.035 220 V N -0.898 119.019 119.914 0.004 0.000 2.962 220 V HA 0.547 4.667 4.120 0.000 0.000 0.313 220 V C -0.593 175.491 176.094 -0.017 0.000 1.099 220 V CA -1.172 61.124 62.300 -0.007 0.000 0.971 220 V CB 1.806 33.653 31.823 0.040 0.000 1.028 220 V HN 0.268 nan 8.190 nan 0.000 0.430 221 L N 3.391 124.603 121.223 -0.018 0.000 2.257 221 L HA 0.556 4.896 4.340 0.000 0.000 0.290 221 L C -0.473 176.397 176.870 -0.002 0.000 1.044 221 L CA -0.666 54.165 54.840 -0.015 0.000 0.810 221 L CB 1.581 43.640 42.059 0.000 0.000 1.193 221 L HN 0.536 nan 8.230 nan 0.000 0.425 222 V N 5.142 125.048 119.914 -0.013 0.000 2.318 222 V HA 0.223 4.343 4.120 0.000 0.000 0.271 222 V C 0.223 176.348 176.094 0.051 0.000 1.030 222 V CA -0.486 61.838 62.300 0.040 0.000 0.844 222 V CB 1.603 33.431 31.823 0.008 0.000 1.015 222 V HN 0.421 nan 8.190 nan 0.000 0.460 223 V N 4.819 124.770 119.914 0.062 0.000 2.407 223 V HA 0.715 4.835 4.120 0.000 0.000 0.278 223 V C 0.876 177.011 176.094 0.067 0.000 1.037 223 V CA -0.151 62.180 62.300 0.051 0.000 0.900 223 V CB 1.351 33.190 31.823 0.026 0.000 0.983 223 V HN 0.852 nan 8.190 nan 0.000 0.459 224 G N 2.462 111.299 108.800 0.061 0.000 2.521 224 G HA2 0.557 4.517 3.960 0.000 0.000 0.323 224 G HA3 0.557 4.517 3.960 0.000 0.000 0.323 224 G C 0.847 175.774 174.900 0.045 0.000 1.211 224 G CA -0.031 45.097 45.100 0.046 0.000 0.979 224 G HN 0.891 nan 8.290 nan 0.000 0.490 225 A N -0.372 122.489 122.820 0.068 0.000 2.067 225 A HA 0.260 4.580 4.320 0.000 0.000 0.219 225 A C 2.567 180.213 177.584 0.103 0.000 1.158 225 A CA 2.063 54.178 52.037 0.130 0.000 0.661 225 A CB -0.586 18.556 19.000 0.237 0.000 0.801 225 A HN 1.268 nan 8.150 nan 0.000 0.452 226 A N -0.070 122.785 122.820 0.058 0.000 2.019 226 A HA 0.154 4.474 4.320 0.000 0.000 0.219 226 A C 2.352 179.954 177.584 0.029 0.000 1.164 226 A CA 1.785 53.847 52.037 0.041 0.000 0.644 226 A CB -0.713 18.296 19.000 0.015 0.000 0.805 226 A HN 0.979 nan 8.150 nan 0.000 0.449 227 A N -0.154 122.678 122.820 0.020 0.000 1.969 227 A HA 0.009 4.329 4.320 0.000 0.000 0.218 227 A C 2.021 179.600 177.584 -0.009 0.000 1.169 227 A CA 1.347 53.389 52.037 0.007 0.000 0.635 227 A CB -0.485 18.520 19.000 0.007 0.000 0.810 227 A HN 0.506 nan 8.150 nan 0.000 0.445 228 I N -1.047 119.507 120.570 -0.028 0.000 2.286 228 I HA -0.195 3.976 4.170 0.000 0.000 0.245 228 I C 2.665 178.786 176.117 0.006 0.000 1.104 228 I CA 0.965 62.215 61.300 -0.084 0.000 1.397 228 I CB -0.313 37.507 38.000 -0.301 0.000 1.072 228 I HN 0.220 nan 8.210 nan 0.000 0.417 229 R N 0.053 120.598 120.500 0.076 0.000 2.105 229 R HA -0.149 4.191 4.340 0.000 0.000 0.239 229 R C 2.446 178.772 176.300 0.044 0.000 1.135 229 R CA 1.555 57.707 56.100 0.087 0.000 0.967 229 R CB -0.430 29.922 30.300 0.087 0.000 0.861 229 R HN 0.240 nan 8.270 nan 0.000 0.442 230 S N -0.651 115.064 115.700 0.025 0.000 2.481 230 S HA -0.021 4.449 4.470 0.000 0.000 0.231 230 S C 1.125 175.731 174.600 0.011 0.000 0.996 230 S CA 0.971 59.178 58.200 0.011 0.000 0.942 230 S CB -0.024 63.177 63.200 0.002 0.000 0.768 230 S HN 0.647 nan 8.310 nan 0.000 0.520 231 G N 0.035 108.841 108.800 0.010 0.000 2.149 231 G HA2 -0.169 3.791 3.960 0.000 0.000 0.235 231 G HA3 -0.169 3.791 3.960 0.000 0.000 0.235 231 G C 0.435 175.337 174.900 0.003 0.000 1.018 231 G CA 0.182 45.285 45.100 0.006 0.000 0.728 231 G HN 0.938 nan 8.290 nan 0.000 0.508 232 A N -0.843 121.977 122.820 0.001 0.000 2.345 232 A HA 0.656 4.976 4.320 0.000 0.000 0.225 232 A C 2.146 179.730 177.584 0.000 0.000 1.243 232 A CA 1.332 53.375 52.037 0.010 0.000 0.875 232 A CB 0.175 19.191 19.000 0.026 0.000 0.929 232 A HN 0.903 nan 8.150 nan 0.000 0.502 233 V N 1.220 121.122 119.914 -0.020 0.000 2.237 233 V HA -0.146 3.974 4.120 0.000 0.000 0.245 233 V C -0.161 175.922 176.094 -0.019 0.000 1.046 233 V CA 2.639 64.919 62.300 -0.032 0.000 1.007 233 V CB -1.248 30.538 31.823 -0.062 0.000 0.638 233 V HN 0.388 nan 8.190 nan 0.000 0.445 234 P HA -0.138 nan 4.420 nan 0.000 0.216 234 P C 1.576 178.880 177.300 0.005 0.000 1.150 234 P CA 2.010 65.110 63.100 -0.001 0.000 0.837 234 P CB -0.148 31.554 31.700 0.004 0.000 0.786 235 A N -0.683 122.142 122.820 0.008 0.000 1.898 235 A HA -0.130 4.190 4.320 0.000 0.000 0.216 235 A C 2.235 179.831 177.584 0.019 0.000 1.181 235 A CA 1.214 53.260 52.037 0.014 0.000 0.620 235 A CB -1.528 17.483 19.000 0.019 0.000 0.819 235 A HN 0.098 nan 8.150 nan 0.000 0.442 236 I N -0.757 119.825 120.570 0.020 0.000 2.208 236 I HA -0.280 3.890 4.170 0.000 0.000 0.245 236 I C 2.702 178.822 176.117 0.006 0.000 1.097 236 I CA 1.793 63.108 61.300 0.024 0.000 1.363 236 I CB -0.280 37.731 38.000 0.018 0.000 1.051 236 I HN 0.405 nan 8.210 nan 0.000 0.413 237 R N 1.307 121.800 120.500 -0.012 0.000 2.083 237 R HA -0.203 4.137 4.340 0.000 0.000 0.237 237 R C 2.364 178.669 176.300 0.008 0.000 1.137 237 R CA 1.803 57.887 56.100 -0.027 0.000 0.951 237 R CB -0.337 29.946 30.300 -0.028 0.000 0.851 237 R HN 0.341 nan 8.270 nan 0.000 0.434 238 A N 1.084 123.915 122.820 0.018 0.000 1.933 238 A HA -0.159 4.161 4.320 0.000 0.000 0.218 238 A C 2.067 179.664 177.584 0.022 0.000 1.175 238 A CA 1.370 53.422 52.037 0.024 0.000 0.628 238 A CB -0.621 18.388 19.000 0.015 0.000 0.814 238 A HN 0.428 nan 8.150 nan 0.000 0.444 239 L N -0.233 121.004 121.223 0.024 0.000 1.994 239 L HA -0.054 4.286 4.340 0.000 0.000 0.208 239 L C 2.695 179.592 176.870 0.044 0.000 1.071 239 L CA 2.322 57.183 54.840 0.035 0.000 0.745 239 L CB -0.814 41.286 42.059 0.069 0.000 0.892 239 L HN 0.327 nan 8.230 nan 0.000 0.431 240 A N -0.751 122.092 122.820 0.038 0.000 1.883 240 A HA -0.262 4.058 4.320 0.000 0.000 0.217 240 A C 2.185 179.795 177.584 0.044 0.000 1.186 240 A CA 2.050 54.104 52.037 0.029 0.000 0.624 240 A CB -0.757 18.237 19.000 -0.010 0.000 0.822 240 A HN 0.634 nan 8.150 nan 0.000 0.444 241 E N -1.039 119.197 120.200 0.060 0.000 2.072 241 E HA -0.193 4.157 4.350 0.000 0.000 0.191 241 E C 2.325 178.960 176.600 0.059 0.000 0.985 241 E CA 1.206 57.661 56.400 0.091 0.000 0.801 241 E CB -0.160 29.608 29.700 0.112 0.000 0.750 241 E HN 0.627 nan 8.360 nan 0.000 0.452 242 R N 0.737 121.260 120.500 0.040 0.000 2.081 242 R HA -0.088 4.252 4.340 0.000 0.000 0.235 242 R C 1.766 178.084 176.300 0.029 0.000 1.131 242 R CA 1.130 57.245 56.100 0.025 0.000 0.960 242 R CB -0.032 30.271 30.300 0.005 0.000 0.856 242 R HN 0.160 nan 8.270 nan 0.000 0.436 243 L N 0.833 122.078 121.223 0.037 0.000 2.628 243 L HA 0.124 4.464 4.340 0.000 0.000 0.229 243 L C 0.096 176.992 176.870 0.044 0.000 1.137 243 L CA -0.213 54.656 54.840 0.047 0.000 0.909 243 L CB -0.070 42.029 42.059 0.066 0.000 1.137 243 L HN 0.328 nan 8.230 nan 0.000 0.470 244 N N 1.488 120.214 118.700 0.043 0.000 2.725 244 N HA -0.224 4.516 4.740 0.000 0.000 0.251 244 N C -0.604 174.921 175.510 0.024 0.000 1.031 244 N CA 0.501 53.576 53.050 0.042 0.000 0.720 244 N CB -1.075 37.435 38.487 0.039 0.000 0.930 244 N HN 0.334 nan 8.380 nan 0.000 0.543 245 I N 0.495 121.074 120.570 0.014 0.000 2.321 245 I HA 0.350 4.520 4.170 0.000 0.000 0.291 245 I C -1.905 174.156 176.117 -0.094 0.000 0.998 245 I CA -2.110 59.181 61.300 -0.016 0.000 1.227 245 I CB 1.445 39.462 38.000 0.027 0.000 1.368 245 I HN -0.001 nan 8.210 nan 0.000 0.466 246 P HA 0.064 nan 4.420 nan 0.000 0.268 246 P C -0.667 176.469 177.300 -0.274 0.000 1.205 246 P CA -0.107 62.691 63.100 -0.503 0.000 0.771 246 P CB 0.692 31.677 31.700 -1.191 0.000 0.858 247 V N 5.296 125.091 119.914 -0.197 0.000 2.370 247 V HA 0.365 4.485 4.120 0.000 0.000 0.283 247 V C 0.387 176.476 176.094 -0.009 0.000 1.023 247 V CA -0.290 61.964 62.300 -0.076 0.000 0.857 247 V CB 0.859 32.640 31.823 -0.069 0.000 0.985 247 V HN 0.393 nan 8.190 nan 0.000 0.443 248 I N 4.452 125.040 120.570 0.031 0.000 2.530 248 I HA 0.654 4.824 4.170 0.000 0.000 0.297 248 I C 0.347 176.528 176.117 0.106 0.000 1.011 248 I CA -0.217 61.136 61.300 0.088 0.000 1.107 248 I CB 2.523 40.593 38.000 0.116 0.000 1.285 248 I HN 0.736 nan 8.210 nan 0.000 0.436 249 T N -0.008 114.618 114.554 0.120 0.000 2.916 249 T HA 0.579 4.929 4.350 0.000 0.000 0.292 249 T C 0.065 174.862 174.700 0.162 0.000 1.064 249 T CA -0.729 61.445 62.100 0.123 0.000 1.011 249 T CB 1.648 70.575 68.868 0.098 0.000 1.152 249 T HN 0.661 nan 8.240 nan 0.000 0.510 250 T N -0.061 114.576 114.554 0.139 0.000 2.689 250 T HA 0.212 4.562 4.350 0.000 0.000 0.308 250 T C 0.909 175.755 174.700 0.244 0.000 1.021 250 T CA -0.403 61.766 62.100 0.114 0.000 0.973 250 T CB -0.118 68.755 68.868 0.009 0.000 1.113 250 T HN 0.538 nan 8.240 nan 0.000 0.522 251 Y N 0.561 120.957 120.300 0.159 0.000 2.128 251 Y HA -0.003 4.547 4.550 0.000 0.000 0.284 251 Y C 2.435 178.518 175.900 0.306 0.000 1.154 251 Y CA 0.775 59.011 58.100 0.225 0.000 1.149 251 Y CB -1.186 37.420 38.460 0.244 0.000 0.976 251 Y HN 0.677 nan 8.280 nan 0.000 0.505 252 I N -2.620 118.183 120.570 0.387 0.000 3.728 252 I HA 0.370 4.540 4.170 0.000 0.000 0.307 252 I C 1.672 177.988 176.117 0.330 0.000 1.276 252 I CA 0.855 62.386 61.300 0.386 0.000 1.285 252 I CB -0.301 37.897 38.000 0.330 0.000 1.038 252 I HN 0.016 nan 8.210 nan 0.000 0.445 253 A N 1.145 124.095 122.820 0.216 0.000 2.251 253 A HA 0.172 4.492 4.320 0.000 0.000 0.209 253 A C 0.931 178.568 177.584 0.089 0.000 1.187 253 A CA -0.200 51.898 52.037 0.102 0.000 0.823 253 A CB -0.381 18.664 19.000 0.074 0.000 0.846 253 A HN 0.379 nan 8.150 nan 0.000 0.486 254 K N -0.401 120.093 120.400 0.156 0.000 2.511 254 K HA 0.281 4.601 4.320 0.000 0.000 0.280 254 K C 1.185 177.839 176.600 0.089 0.000 1.008 254 K CA 1.040 57.399 56.287 0.120 0.000 1.050 254 K CB 0.072 32.659 32.500 0.146 0.000 0.889 254 K HN 0.605 nan 8.250 nan 0.000 0.484 255 G N 0.850 109.678 108.800 0.046 0.000 2.176 255 G HA2 -0.292 3.668 3.960 0.000 0.000 0.232 255 G HA3 -0.292 3.668 3.960 0.000 0.000 0.232 255 G C 0.704 175.592 174.900 -0.019 0.000 0.986 255 G CA 0.180 45.295 45.100 0.025 0.000 0.643 255 G HN 0.543 nan 8.290 nan 0.000 0.522 256 V N -1.524 118.368 119.914 -0.037 0.000 2.626 256 V HA 0.406 4.526 4.120 0.000 0.000 0.252 256 V C 1.276 177.331 176.094 -0.065 0.000 1.067 256 V CA 1.524 63.787 62.300 -0.062 0.000 1.081 256 V CB -0.320 31.466 31.823 -0.061 0.000 0.686 256 V HN 0.440 nan 8.190 nan 0.000 0.468 257 L N 0.692 121.876 121.223 -0.066 0.000 2.342 257 L HA 0.587 4.927 4.340 0.000 0.000 0.271 257 L C -2.478 174.392 176.870 0.000 0.000 1.008 257 L CA -2.239 52.545 54.840 -0.092 0.000 0.818 257 L CB 2.019 43.936 42.059 -0.236 0.000 1.296 257 L HN -0.017 nan 8.230 nan 0.000 0.427 258 P HA 0.038 nan 4.420 nan 0.000 0.270 258 P C -0.548 176.808 177.300 0.094 0.000 1.223 258 P CA -0.388 62.759 63.100 0.079 0.000 0.785 258 P CB 0.430 32.191 31.700 0.101 0.000 0.923 259 V N 1.701 121.657 119.914 0.070 0.000 2.617 259 V HA 0.228 4.348 4.120 0.000 0.000 0.304 259 V C 1.742 177.881 176.094 0.074 0.000 1.040 259 V CA 1.957 64.296 62.300 0.064 0.000 1.149 259 V CB -0.605 31.248 31.823 0.050 0.000 0.914 259 V HN 1.056 nan 8.190 nan 0.000 0.487 260 G N 2.723 111.569 108.800 0.076 0.000 2.195 260 G HA2 -0.244 3.716 3.960 0.000 0.000 0.246 260 G HA3 -0.244 3.716 3.960 0.000 0.000 0.246 260 G C 0.360 175.310 174.900 0.083 0.000 0.984 260 G CA 0.225 45.362 45.100 0.062 0.000 0.633 260 G HN 0.928 nan 8.290 nan 0.000 0.525 261 H N 2.283 121.371 119.070 0.030 0.000 3.034 261 H HA 0.152 4.708 4.556 0.000 0.000 0.324 261 H C 1.924 177.285 175.328 0.055 0.000 1.015 261 H CA 1.172 57.243 56.048 0.038 0.000 1.429 261 H CB 0.700 30.485 29.762 0.039 0.000 1.429 261 H HN 0.688 nan 8.280 nan 0.000 0.585 262 E N 4.288 124.574 120.200 0.143 0.000 2.268 262 E HA -0.111 4.239 4.350 0.000 0.000 0.195 262 E C 1.088 177.893 176.600 0.342 0.000 0.995 262 E CA 0.785 57.294 56.400 0.182 0.000 0.836 262 E CB 0.063 29.805 29.700 0.069 0.000 0.763 262 E HN 0.601 nan 8.360 nan 0.000 0.491 263 L N 0.734 122.254 121.223 0.495 0.000 2.592 263 L HA 0.121 4.461 4.340 0.000 0.000 0.227 263 L C 0.924 177.914 176.870 0.200 0.000 1.127 263 L CA -0.333 54.665 54.840 0.264 0.000 0.884 263 L CB -0.154 41.972 42.059 0.111 0.000 1.065 263 L HN 0.044 nan 8.230 nan 0.000 0.457 264 N N 0.161 119.001 118.700 0.233 0.000 2.549 264 N HA -0.068 4.672 4.740 0.000 0.000 0.267 264 N C 0.295 175.960 175.510 0.258 0.000 1.182 264 N CA 0.127 53.273 53.050 0.159 0.000 1.019 264 N CB 0.183 38.738 38.487 0.114 0.000 1.380 264 N HN 0.041 nan 8.380 nan 0.000 0.505 265 Y N 1.578 121.862 120.300 -0.026 0.000 2.471 265 Y HA 0.258 4.808 4.550 0.000 0.000 0.286 265 Y C 1.687 177.546 175.900 -0.068 0.000 1.188 265 Y CA 0.236 58.301 58.100 -0.057 0.000 1.286 265 Y CB -0.354 38.061 38.460 -0.075 0.000 1.072 265 Y HN 0.599 nan 8.280 nan 0.000 0.517 266 G N -0.178 108.670 108.800 0.080 0.000 2.661 266 G HA2 0.172 4.133 3.960 0.000 0.000 0.685 266 G HA3 0.172 4.133 3.960 0.000 0.000 0.685 266 G C -0.694 174.228 174.900 0.038 0.000 1.298 266 G CA -0.748 44.360 45.100 0.012 0.000 0.855 266 G HN 0.497 nan 8.290 nan 0.000 0.560 267 A N -1.016 121.814 122.820 0.017 0.000 2.282 267 A HA 0.864 5.184 4.320 0.000 0.000 0.319 267 A C 0.179 177.821 177.584 0.096 0.000 1.121 267 A CA -0.070 52.017 52.037 0.083 0.000 0.836 267 A CB 1.697 20.751 19.000 0.091 0.000 1.146 267 A HN 1.888 nan 8.150 nan 0.000 0.494 268 V N 0.965 121.001 119.914 0.205 0.000 2.435 268 V HA 0.653 4.773 4.120 0.000 0.000 0.290 268 V C 0.412 176.709 176.094 0.338 0.000 1.030 268 V CA -0.022 62.424 62.300 0.244 0.000 0.881 268 V CB 1.455 33.478 31.823 0.333 0.000 0.983 268 V HN 1.063 nan 8.190 nan 0.000 0.445 269 T N 2.415 117.125 114.554 0.260 0.000 2.900 269 T HA 0.533 4.883 4.350 0.000 0.000 0.295 269 T C 1.104 175.926 174.700 0.204 0.000 1.044 269 T CA 0.232 62.537 62.100 0.341 0.000 0.995 269 T CB 1.820 70.871 68.868 0.306 0.000 1.072 269 T HN 0.763 nan 8.240 nan 0.000 0.473 270 G N 0.990 109.892 108.800 0.169 0.000 2.534 270 G HA2 -0.040 3.920 3.960 0.000 0.000 0.217 270 G HA3 -0.040 3.920 3.960 0.000 0.000 0.217 270 G C 0.655 175.523 174.900 -0.053 0.000 1.128 270 G CA 0.437 45.545 45.100 0.013 0.000 0.784 270 G HN 0.794 nan 8.290 nan 0.000 0.542 271 Y N 0.793 121.075 120.300 -0.030 0.000 2.546 271 Y HA 0.098 4.648 4.550 0.000 0.000 0.287 271 Y C 2.870 178.783 175.900 0.022 0.000 1.158 271 Y CA 0.658 58.815 58.100 0.094 0.000 1.307 271 Y CB -0.182 38.271 38.460 -0.011 0.000 1.036 271 Y HN 0.271 nan 8.280 nan 0.000 0.532 272 M N -1.322 118.315 119.600 0.063 0.000 2.213 272 M HA -0.132 4.348 4.480 0.000 0.000 0.263 272 M C 0.827 177.062 176.300 -0.108 0.000 1.062 272 M CA 1.903 57.160 55.300 -0.070 0.000 1.105 272 M CB -0.314 32.237 32.600 -0.081 0.000 1.385 272 M HN -0.032 nan 8.290 nan 0.000 0.417 273 D N 1.446 121.785 120.400 -0.102 0.000 2.084 273 D HA -0.027 4.613 4.640 0.000 0.000 0.196 273 D C 2.327 178.479 176.300 -0.247 0.000 0.985 273 D CA 1.929 55.852 54.000 -0.129 0.000 0.826 273 D CB -0.709 40.010 40.800 -0.135 0.000 0.978 273 D HN 0.569 nan 8.370 nan 0.000 0.456 274 G N 0.534 109.016 108.800 -0.530 0.000 2.442 274 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 274 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 274 G C 1.768 176.496 174.900 -0.285 0.000 1.141 274 G CA 0.401 44.895 45.100 -1.010 0.000 0.763 274 G HN 0.263 nan 8.290 nan 0.000 0.554 275 I N -0.018 120.518 120.570 -0.057 0.000 2.286 275 I HA 0.004 4.175 4.170 0.000 0.000 0.245 275 I C 2.295 178.323 176.117 -0.149 0.000 1.104 275 I CA 0.669 61.972 61.300 0.005 0.000 1.397 275 I CB -0.007 37.813 38.000 -0.299 0.000 1.072 275 I HN 0.089 nan 8.210 nan 0.000 0.417 276 L N 0.242 121.294 121.223 -0.286 0.000 2.591 276 L HA 0.076 4.416 4.340 0.000 0.000 0.228 276 L C 0.171 177.071 176.870 0.049 0.000 1.133 276 L CA 0.041 54.630 54.840 -0.417 0.000 0.880 276 L CB -0.487 41.354 42.059 -0.363 0.000 1.033 276 L HN 0.292 nan 8.230 nan 0.000 0.450 277 N N 1.196 119.954 118.700 0.096 0.000 2.678 277 N HA -0.265 4.475 4.740 0.000 0.000 0.268 277 N C -0.713 174.929 175.510 0.219 0.000 1.010 277 N CA 1.128 54.261 53.050 0.138 0.000 0.784 277 N CB -0.836 37.768 38.487 0.196 0.000 0.905 277 N HN 0.249 nan 8.380 nan 0.000 0.552 278 F N 0.111 120.032 119.950 -0.048 0.000 2.708 278 F HA 0.299 4.826 4.527 0.000 0.000 0.309 278 F C -2.417 173.345 175.800 -0.063 0.000 1.120 278 F CA -1.594 56.381 58.000 -0.040 0.000 0.978 278 F CB 1.750 40.725 39.000 -0.041 0.000 1.283 278 F HN -0.147 nan 8.300 nan 0.000 0.439 279 P HA 0.254 nan 4.420 nan 0.000 0.238 279 P C -0.338 176.885 177.300 -0.127 0.000 1.794 279 P CA 0.278 63.190 63.100 -0.314 0.000 1.088 279 P CB 0.629 32.103 31.700 -0.378 0.000 1.923 280 A N 3.140 126.039 122.820 0.132 0.000 1.874 280 A HA -0.052 4.268 4.320 0.000 0.000 0.214 280 A C 2.074 179.721 177.584 0.106 0.000 1.189 280 A CA 0.871 53.040 52.037 0.221 0.000 0.615 280 A CB -1.065 18.023 19.000 0.147 0.000 0.830 280 A HN 0.352 nan 8.150 nan 0.000 0.443 281 L N -0.416 120.866 121.223 0.099 0.000 2.083 281 L HA -0.222 4.118 4.340 0.000 0.000 0.209 281 L C 2.873 179.864 176.870 0.203 0.000 1.083 281 L CA 1.159 56.108 54.840 0.182 0.000 0.752 281 L CB -0.475 41.702 42.059 0.196 0.000 0.899 281 L HN 0.428 nan 8.230 nan 0.000 0.433 282 Q N -0.684 119.182 119.800 0.109 0.000 2.119 282 Q HA -0.139 4.201 4.340 0.000 0.000 0.201 282 Q C 2.224 178.280 176.000 0.093 0.000 0.972 282 Q CA 1.829 57.690 55.803 0.095 0.000 0.847 282 Q CB -0.446 28.302 28.738 0.016 0.000 0.903 282 Q HN 0.486 nan 8.270 nan 0.000 0.433 283 T N 1.337 115.929 114.554 0.064 0.000 2.788 283 T HA -0.126 4.224 4.350 0.000 0.000 0.268 283 T C 1.841 176.603 174.700 0.103 0.000 1.044 283 T CA 1.203 63.352 62.100 0.082 0.000 1.139 283 T CB -0.124 68.821 68.868 0.127 0.000 0.867 283 T HN 0.159 nan 8.240 nan 0.000 0.454 284 M N -0.485 119.135 119.600 0.032 0.000 2.200 284 M HA 0.080 4.560 4.480 0.000 0.000 0.265 284 M C 0.781 177.046 176.300 -0.058 0.000 1.066 284 M CA 1.646 56.886 55.300 -0.100 0.000 1.127 284 M CB 0.105 32.442 32.600 -0.439 0.000 1.379 284 M HN 0.198 nan 8.290 nan 0.000 0.420 285 F N -2.026 118.053 119.950 0.214 0.000 2.789 285 F HA 0.423 4.951 4.527 0.000 0.000 0.320 285 F C 1.998 177.825 175.800 0.044 0.000 1.079 285 F CA 0.149 58.223 58.000 0.123 0.000 1.205 285 F CB -0.865 38.226 39.000 0.152 0.000 1.046 285 F HN 0.036 nan 8.300 nan 0.000 0.586 286 A N 1.515 124.459 122.820 0.208 0.000 1.883 286 A HA -0.114 4.206 4.320 0.000 0.000 0.217 286 A C -0.427 177.177 177.584 0.034 0.000 1.186 286 A CA 1.948 54.050 52.037 0.109 0.000 0.624 286 A CB -1.951 17.091 19.000 0.071 0.000 0.822 286 A HN 0.193 nan 8.150 nan 0.000 0.444 287 P HA 0.150 nan 4.420 nan 0.000 0.245 287 P C 0.019 177.201 177.300 -0.197 0.000 1.206 287 P CA 0.195 63.208 63.100 -0.145 0.000 0.781 287 P CB -0.124 31.447 31.700 -0.215 0.000 0.994 288 V N 3.262 123.081 119.914 -0.158 0.000 2.585 288 V HA -0.010 4.110 4.120 0.000 0.000 0.296 288 V C 1.453 177.546 176.094 -0.000 0.000 1.035 288 V CA 0.970 63.210 62.300 -0.101 0.000 1.084 288 V CB 0.460 32.271 31.823 -0.020 0.000 0.953 288 V HN 0.193 nan 8.190 nan 0.000 0.483 289 D N 2.854 123.270 120.400 0.028 0.000 2.441 289 D HA 0.187 4.827 4.640 0.000 0.000 0.210 289 D C -0.123 176.192 176.300 0.025 0.000 1.102 289 D CA -0.099 53.923 54.000 0.036 0.000 0.840 289 D CB 0.631 41.464 40.800 0.054 0.000 0.990 289 D HN 0.329 nan 8.370 nan 0.000 0.505 290 L N 0.805 122.035 121.223 0.011 0.000 2.505 290 L HA 0.491 4.831 4.340 0.000 0.000 0.266 290 L C -1.855 174.976 176.870 -0.065 0.000 0.954 290 L CA -0.844 53.989 54.840 -0.012 0.000 0.852 290 L CB 2.369 44.444 42.059 0.026 0.000 1.282 290 L HN -0.176 nan 8.230 nan 0.000 0.403 291 V N 6.305 126.118 119.914 -0.168 0.000 2.350 291 V HA 0.444 4.564 4.120 0.000 0.000 0.285 291 V C -0.370 175.546 176.094 -0.297 0.000 1.014 291 V CA -0.395 61.713 62.300 -0.321 0.000 0.831 291 V CB 1.369 32.736 31.823 -0.760 0.000 1.000 291 V HN 0.565 nan 8.190 nan 0.000 0.433 292 L N 5.095 126.198 121.223 -0.200 0.000 2.259 292 L HA 0.391 4.731 4.340 0.000 0.000 0.288 292 L C 0.886 177.638 176.870 -0.197 0.000 1.051 292 L CA -0.005 54.727 54.840 -0.179 0.000 0.824 292 L CB 1.350 43.342 42.059 -0.111 0.000 1.206 292 L HN 0.770 nan 8.230 nan 0.000 0.429 293 T N 0.382 114.802 114.554 -0.223 0.000 2.992 293 T HA 0.370 4.720 4.350 0.000 0.000 0.299 293 T C 0.079 174.756 174.700 -0.037 0.000 1.027 293 T CA -0.696 61.331 62.100 -0.123 0.000 1.001 293 T CB 0.025 68.793 68.868 -0.166 0.000 1.005 293 T HN 0.137 nan 8.240 nan 0.000 0.599 294 V N 3.832 123.723 119.914 -0.038 0.000 2.389 294 V HA 0.550 4.670 4.120 0.000 0.000 0.264 294 V C 1.442 177.542 176.094 0.011 0.000 1.049 294 V CA 0.258 62.527 62.300 -0.053 0.000 0.932 294 V CB -0.122 31.691 31.823 -0.017 0.000 1.011 294 V HN 1.276 nan 8.190 nan 0.000 0.475 295 G N 4.012 112.811 108.800 -0.002 0.000 2.256 295 G HA2 -0.305 3.655 3.960 0.000 0.000 0.272 295 G HA3 -0.305 3.655 3.960 0.000 0.000 0.272 295 G C -0.237 174.708 174.900 0.076 0.000 1.076 295 G CA -0.049 45.066 45.100 0.025 0.000 0.882 295 G HN 0.858 nan 8.290 nan 0.000 0.497 296 Y N 0.897 121.205 120.300 0.013 0.000 2.497 296 Y HA 0.486 5.037 4.550 0.000 0.000 0.334 296 Y C 0.191 176.145 175.900 0.091 0.000 1.199 296 Y CA 0.100 58.246 58.100 0.077 0.000 1.425 296 Y CB 1.243 39.800 38.460 0.162 0.000 1.291 296 Y HN 0.251 nan 8.280 nan 0.000 0.562 297 D N 4.422 124.350 120.400 -0.787 0.000 2.591 297 D HA 0.012 4.652 4.640 0.000 0.000 0.222 297 D C -0.270 175.660 176.300 -0.617 0.000 1.360 297 D CA -0.504 53.202 54.000 -0.491 0.000 0.967 297 D CB 0.158 40.835 40.800 -0.205 0.000 1.456 297 D HN 0.539 nan 8.370 nan 0.000 0.588 298 Y N 3.585 123.560 120.300 -0.541 0.000 2.315 298 Y HA -0.096 4.454 4.550 0.000 0.000 0.288 298 Y C 1.927 177.722 175.900 -0.175 0.000 1.154 298 Y CA 2.101 60.048 58.100 -0.255 0.000 1.229 298 Y CB -0.143 38.321 38.460 0.007 0.000 0.980 298 Y HN 0.534 nan 8.280 nan 0.000 0.540 299 A N -0.273 122.476 122.820 -0.118 0.000 2.121 299 A HA -0.153 4.167 4.320 0.000 0.000 0.218 299 A C 2.015 179.478 177.584 -0.202 0.000 1.154 299 A CA 1.508 53.448 52.037 -0.162 0.000 0.679 299 A CB -0.551 18.398 19.000 -0.086 0.000 0.795 299 A HN 0.604 nan 8.150 nan 0.000 0.458 300 E N -1.436 118.626 120.200 -0.230 0.000 2.427 300 E HA -0.053 4.297 4.350 0.000 0.000 0.196 300 E C 0.001 176.385 176.600 -0.361 0.000 1.028 300 E CA 0.387 56.626 56.400 -0.267 0.000 0.864 300 E CB 0.035 29.599 29.700 -0.226 0.000 0.813 300 E HN 0.488 nan 8.360 nan 0.000 0.514 301 D N -0.484 119.742 120.400 -0.291 0.000 3.099 301 D HA -0.158 4.482 4.640 0.000 0.000 0.213 301 D C -0.969 175.258 176.300 -0.122 0.000 1.121 301 D CA 0.237 54.093 54.000 -0.240 0.000 0.951 301 D CB -0.878 39.821 40.800 -0.168 0.000 1.102 301 D HN 0.075 nan 8.370 nan 0.000 0.423 302 L N 1.722 122.914 121.223 -0.053 0.000 2.302 302 L HA 0.416 4.756 4.340 0.000 0.000 0.285 302 L C 0.218 177.230 176.870 0.237 0.000 1.090 302 L CA 0.089 55.005 54.840 0.127 0.000 0.866 302 L CB 0.061 42.239 42.059 0.198 0.000 1.244 302 L HN -0.005 nan 8.230 nan 0.000 0.435 303 R N 5.179 125.722 120.500 0.071 0.000 2.573 303 R HA 0.390 4.730 4.340 0.000 0.000 0.272 303 R C -1.613 174.361 176.300 -0.543 0.000 1.009 303 R CA -1.666 54.433 56.100 -0.001 0.000 1.059 303 R CB 0.349 30.648 30.300 -0.002 0.000 1.112 303 R HN 0.318 nan 8.270 nan 0.000 0.517 304 P HA -0.229 nan 4.420 nan 0.000 0.216 304 P C 1.263 177.719 177.300 -1.407 0.000 1.153 304 P CA 1.640 63.546 63.100 -1.990 0.000 0.858 304 P CB 0.096 31.120 31.700 -1.127 0.000 0.789 305 S N -1.197 114.088 115.700 -0.690 0.000 2.420 305 S HA -0.210 4.260 4.470 0.000 0.000 0.237 305 S C 1.859 176.228 174.600 -0.384 0.000 1.023 305 S CA 1.477 59.416 58.200 -0.434 0.000 0.991 305 S CB -1.465 61.591 63.200 -0.240 0.000 0.792 305 S HN 0.100 nan 8.310 nan 0.000 0.488 306 M N 0.036 119.408 119.600 -0.381 0.000 2.319 306 M HA 0.100 4.580 4.480 0.000 0.000 0.265 306 M C 1.848 177.995 176.300 -0.254 0.000 1.068 306 M CA 1.336 56.524 55.300 -0.186 0.000 1.118 306 M CB -0.406 32.180 32.600 -0.024 0.000 1.395 306 M HN 0.799 nan 8.290 nan 0.000 0.435 307 W N -0.201 120.758 121.300 -0.568 0.000 3.220 307 W HA 0.279 4.939 4.660 0.000 0.000 0.328 307 W C -0.093 176.116 176.519 -0.518 0.000 1.205 307 W CA -0.454 56.213 57.345 -1.131 0.000 1.773 307 W CB -0.641 27.955 29.460 -1.440 0.000 1.086 307 W HN -0.029 nan 8.180 nan 0.000 0.622 308 Q N 2.735 122.325 119.800 -0.351 0.000 2.664 308 Q HA 0.185 4.525 4.340 0.000 0.000 0.223 308 Q C -0.526 175.436 176.000 -0.064 0.000 1.298 308 Q CA 0.437 56.145 55.803 -0.159 0.000 0.965 308 Q CB 0.137 28.723 28.738 -0.253 0.000 1.510 308 Q HN -0.132 nan 8.270 nan 0.000 0.567 309 K N 0.990 121.405 120.400 0.026 0.000 2.535 309 K HA 0.530 4.850 4.320 0.000 0.000 0.250 309 K C 0.206 176.851 176.600 0.076 0.000 0.948 309 K CA -0.021 56.304 56.287 0.064 0.000 0.796 309 K CB 1.971 34.564 32.500 0.155 0.000 1.216 309 K HN 0.557 nan 8.250 nan 0.000 0.432 310 G N 2.966 111.792 108.800 0.042 0.000 2.536 310 G HA2 -0.316 3.644 3.960 0.000 0.000 0.277 310 G HA3 -0.316 3.644 3.960 0.000 0.000 0.277 310 G C 0.194 175.108 174.900 0.025 0.000 1.155 310 G CA 0.066 45.185 45.100 0.032 0.000 0.960 310 G HN 0.750 nan 8.290 nan 0.000 0.544 311 I N -0.229 120.356 120.570 0.025 0.000 3.004 311 I HA 0.613 4.783 4.170 0.000 0.000 0.287 311 I C 0.404 176.540 176.117 0.032 0.000 1.144 311 I CA -0.703 60.609 61.300 0.021 0.000 1.353 311 I CB 0.515 38.523 38.000 0.014 0.000 1.417 311 I HN 0.402 nan 8.210 nan 0.000 0.602 312 E N 3.235 123.452 120.200 0.027 0.000 2.413 312 E HA 0.183 4.533 4.350 0.000 0.000 0.263 312 E C -0.830 175.797 176.600 0.045 0.000 1.015 312 E CA 0.208 56.629 56.400 0.035 0.000 0.916 312 E CB 0.729 30.445 29.700 0.027 0.000 0.947 312 E HN 0.473 nan 8.360 nan 0.000 0.440 313 K N 1.859 122.297 120.400 0.063 0.000 2.318 313 K HA 0.354 4.674 4.320 0.000 0.000 0.249 313 K C -0.141 176.493 176.600 0.058 0.000 0.942 313 K CA -0.813 55.509 56.287 0.058 0.000 0.808 313 K CB 1.759 34.300 32.500 0.069 0.000 1.189 313 K HN 0.070 nan 8.250 nan 0.000 0.428 314 K N 1.260 121.682 120.400 0.036 0.000 2.098 314 K HA 0.362 4.682 4.320 0.000 0.000 0.261 314 K C -0.229 176.379 176.600 0.013 0.000 0.987 314 K CA -0.423 55.885 56.287 0.035 0.000 0.916 314 K CB 1.561 34.080 32.500 0.031 0.000 1.039 314 K HN 0.846 nan 8.250 nan 0.000 0.455 315 T N -2.421 112.151 114.554 0.029 0.000 2.893 315 T HA 0.569 4.919 4.350 0.000 0.000 0.291 315 T C -0.411 174.279 174.700 -0.017 0.000 1.028 315 T CA -0.870 61.229 62.100 -0.001 0.000 0.995 315 T CB 1.485 70.445 68.868 0.153 0.000 1.051 315 T HN 0.142 nan 8.240 nan 0.000 0.470 316 V N 2.029 121.903 119.914 -0.066 0.000 2.483 316 V HA 0.564 4.684 4.120 0.000 0.000 0.297 316 V C 0.070 176.079 176.094 -0.140 0.000 1.027 316 V CA -0.981 61.258 62.300 -0.102 0.000 0.855 316 V CB 1.568 33.325 31.823 -0.110 0.000 0.995 316 V HN 0.975 nan 8.190 nan 0.000 0.424 317 R N 4.279 124.679 120.500 -0.167 0.000 2.312 317 R HA 0.729 5.069 4.340 0.000 0.000 0.311 317 R C -1.453 174.706 176.300 -0.235 0.000 1.004 317 R CA -0.482 55.525 56.100 -0.154 0.000 0.902 317 R CB 0.952 31.098 30.300 -0.256 0.000 1.073 317 R HN 0.660 nan 8.270 nan 0.000 0.457 318 I N 2.733 123.152 120.570 -0.252 0.000 2.439 318 I HA 0.320 4.490 4.170 0.000 0.000 0.285 318 I C -0.614 175.409 176.117 -0.156 0.000 1.021 318 I CA -0.089 61.001 61.300 -0.351 0.000 1.091 318 I CB 2.054 39.635 38.000 -0.699 0.000 1.242 318 I HN 0.538 nan 8.210 nan 0.000 0.439 319 S N 6.734 122.359 115.700 -0.124 0.000 2.535 319 S HA 0.556 5.026 4.470 0.000 0.000 0.272 319 S C -2.707 171.844 174.600 -0.082 0.000 1.149 319 S CA -0.983 57.182 58.200 -0.059 0.000 0.888 319 S CB 2.088 65.297 63.200 0.015 0.000 1.110 319 S HN 0.376 nan 8.310 nan 0.000 0.463 320 P HA 0.207 nan 4.420 nan 0.000 0.243 320 P C -0.170 177.101 177.300 -0.049 0.000 1.668 320 P CA 0.066 63.117 63.100 -0.081 0.000 0.898 320 P CB -0.869 30.786 31.700 -0.074 0.000 1.637 321 T N -4.104 110.429 114.554 -0.034 0.000 2.900 321 T HA 0.381 4.731 4.350 0.000 0.000 0.303 321 T C -0.247 174.444 174.700 -0.015 0.000 1.142 321 T CA -0.764 61.326 62.100 -0.017 0.000 1.007 321 T CB 1.227 70.094 68.868 -0.001 0.000 1.156 321 T HN -0.223 nan 8.240 nan 0.000 0.490 322 V N 2.881 122.789 119.914 -0.011 0.000 2.763 322 V HA 0.145 4.266 4.120 0.000 0.000 0.306 322 V C 1.072 177.162 176.094 -0.007 0.000 1.059 322 V CA -0.447 61.846 62.300 -0.013 0.000 1.138 322 V CB 0.182 31.999 31.823 -0.009 0.000 0.940 322 V HN 0.998 nan 8.190 nan 0.000 0.489 323 N N 6.999 125.686 118.700 -0.021 0.000 2.429 323 N HA 0.065 4.805 4.740 0.000 0.000 0.271 323 N C -1.038 174.466 175.510 -0.011 0.000 1.272 323 N CA -1.396 51.644 53.050 -0.017 0.000 0.921 323 N CB 0.956 39.398 38.487 -0.076 0.000 1.128 323 N HN 0.425 nan 8.380 nan 0.000 0.481 324 P HA 0.065 nan 4.420 nan 0.000 0.245 324 P C 0.311 177.602 177.300 -0.014 0.000 1.206 324 P CA 0.617 63.720 63.100 0.006 0.000 0.781 324 P CB -0.008 31.708 31.700 0.027 0.000 0.994 325 I N -3.408 117.141 120.570 -0.036 0.000 2.998 325 I HA 0.404 4.574 4.170 0.000 0.000 0.338 325 I C -1.827 174.236 176.117 -0.091 0.000 1.413 325 I CA -2.453 58.788 61.300 -0.098 0.000 0.880 325 I CB 1.023 38.871 38.000 -0.254 0.000 2.051 325 I HN -0.318 nan 8.210 nan 0.000 0.561 326 P HA -0.188 nan 4.420 nan 0.000 0.225 326 P C 1.496 178.762 177.300 -0.055 0.000 1.148 326 P CA 1.097 64.156 63.100 -0.067 0.000 0.779 326 P CB 0.128 31.793 31.700 -0.059 0.000 0.780 327 R N 0.252 120.718 120.500 -0.057 0.000 2.120 327 R HA -0.063 4.277 4.340 0.000 0.000 0.234 327 R C 1.693 177.958 176.300 -0.058 0.000 1.123 327 R CA 1.379 57.450 56.100 -0.049 0.000 0.975 327 R CB -0.273 30.002 30.300 -0.043 0.000 0.866 327 R HN 0.052 nan 8.270 nan 0.000 0.446 328 V N -1.172 118.687 119.914 -0.091 0.000 2.922 328 V HA 0.061 4.181 4.120 0.000 0.000 0.242 328 V C -0.240 175.833 176.094 -0.035 0.000 1.094 328 V CA 0.357 62.588 62.300 -0.115 0.000 1.106 328 V CB 0.218 31.869 31.823 -0.285 0.000 0.799 328 V HN 0.213 nan 8.190 nan 0.000 0.474 329 Y N 2.167 122.361 120.300 -0.177 0.000 2.402 329 Y HA 0.540 5.090 4.550 0.000 0.000 0.325 329 Y C -0.196 175.653 175.900 -0.084 0.000 1.009 329 Y CA -1.896 56.127 58.100 -0.129 0.000 1.278 329 Y CB 0.752 39.126 38.460 -0.142 0.000 1.105 329 Y HN 0.013 nan 8.280 nan 0.000 0.476 330 R N 7.440 127.951 120.500 0.019 0.000 2.471 330 R HA 0.309 4.649 4.340 0.000 0.000 0.292 330 R C -2.634 173.579 176.300 -0.144 0.000 1.192 330 R CA -1.642 54.391 56.100 -0.113 0.000 1.257 330 R CB 0.696 30.974 30.300 -0.038 0.000 1.130 330 R HN 0.484 nan 8.270 nan 0.000 0.558 331 P HA 0.017 nan 4.420 nan 0.000 0.269 331 P C 0.091 177.323 177.300 -0.112 0.000 1.209 331 P CA -0.158 62.777 63.100 -0.274 0.000 0.776 331 P CB 1.148 32.550 31.700 -0.495 0.000 0.876 332 D N 0.389 120.769 120.400 -0.034 0.000 2.149 332 D HA -0.050 4.590 4.640 0.000 0.000 0.198 332 D C 0.392 176.677 176.300 -0.026 0.000 0.990 332 D CA 1.445 55.436 54.000 -0.016 0.000 0.839 332 D CB 0.243 41.050 40.800 0.012 0.000 0.948 332 D HN 0.137 nan 8.370 nan 0.000 0.460 333 V N 1.248 121.138 119.914 -0.041 0.000 2.525 333 V HA 0.158 4.278 4.120 0.000 0.000 0.299 333 V C -0.740 175.304 176.094 -0.084 0.000 1.034 333 V CA -0.910 61.372 62.300 -0.031 0.000 0.863 333 V CB 2.398 34.232 31.823 0.017 0.000 0.999 333 V HN -0.142 nan 8.190 nan 0.000 0.423 334 D N 3.483 123.836 120.400 -0.079 0.000 2.349 334 D HA 0.475 5.115 4.640 0.000 0.000 0.232 334 D C -0.710 175.563 176.300 -0.046 0.000 1.071 334 D CA -0.082 53.854 54.000 -0.106 0.000 0.832 334 D CB 1.942 42.671 40.800 -0.118 0.000 1.086 334 D HN 0.281 nan 8.370 nan 0.000 0.504 335 V N 4.580 124.447 119.914 -0.078 0.000 2.293 335 V HA 0.236 4.356 4.120 0.000 0.000 0.275 335 V C 0.223 176.279 176.094 -0.064 0.000 1.021 335 V CA -0.854 61.435 62.300 -0.017 0.000 0.815 335 V CB 1.408 33.186 31.823 -0.075 0.000 1.025 335 V HN 0.311 nan 8.190 nan 0.000 0.448 336 V N 4.834 124.745 119.914 -0.007 0.000 2.320 336 V HA 0.636 4.756 4.120 0.000 0.000 0.265 336 V C 0.320 176.331 176.094 -0.137 0.000 1.048 336 V CA 0.440 62.705 62.300 -0.058 0.000 0.865 336 V CB 0.802 32.612 31.823 -0.022 0.000 1.043 336 V HN 0.994 nan 8.190 nan 0.000 0.474 337 T N 2.583 116.983 114.554 -0.257 0.000 2.700 337 T HA 0.213 4.563 4.350 0.000 0.000 0.307 337 T C -1.516 172.965 174.700 -0.364 0.000 1.580 337 T CA -0.669 61.133 62.100 -0.497 0.000 0.992 337 T CB 1.683 69.855 68.868 -1.159 0.000 1.577 337 T HN 0.684 nan 8.240 nan 0.000 0.496 338 D N 0.758 120.930 120.400 -0.380 0.000 2.455 338 D HA 0.210 4.850 4.640 0.000 0.000 0.241 338 D C 1.502 177.704 176.300 -0.162 0.000 1.138 338 D CA 0.237 54.105 54.000 -0.219 0.000 0.877 338 D CB 0.882 41.577 40.800 -0.174 0.000 1.187 338 D HN 0.238 nan 8.370 nan 0.000 0.451 339 V N 3.849 123.721 119.914 -0.071 0.000 2.295 339 V HA -0.197 3.923 4.120 0.000 0.000 0.246 339 V C 2.160 178.298 176.094 0.073 0.000 1.049 339 V CA 1.406 63.712 62.300 0.009 0.000 1.024 339 V CB -0.697 31.132 31.823 0.010 0.000 0.648 339 V HN 0.608 nan 8.190 nan 0.000 0.447 340 L N 1.049 122.289 121.223 0.028 0.000 2.017 340 L HA -0.065 4.275 4.340 0.000 0.000 0.208 340 L C 2.470 179.371 176.870 0.052 0.000 1.073 340 L CA 2.373 57.238 54.840 0.041 0.000 0.745 340 L CB -1.076 40.997 42.059 0.023 0.000 0.894 340 L HN 0.215 nan 8.230 nan 0.000 0.432 341 A N -0.733 122.092 122.820 0.008 0.000 1.908 341 A HA -0.296 4.024 4.320 0.000 0.000 0.218 341 A C 2.287 179.960 177.584 0.148 0.000 1.181 341 A CA 2.013 54.070 52.037 0.032 0.000 0.627 341 A CB -1.274 17.651 19.000 -0.125 0.000 0.818 341 A HN 0.613 nan 8.150 nan 0.000 0.445 342 F N 0.884 120.793 119.950 -0.069 0.000 2.075 342 F HA -0.166 4.361 4.527 0.000 0.000 0.297 342 F C 2.160 178.096 175.800 0.227 0.000 1.113 342 F CA 2.137 60.218 58.000 0.134 0.000 1.218 342 F CB -0.543 38.446 39.000 -0.018 0.000 0.984 342 F HN 0.017 nan 8.300 nan 0.000 0.472 343 V N 0.827 120.703 119.914 -0.063 0.000 2.343 343 V HA -0.294 3.826 4.120 0.000 0.000 0.247 343 V C 2.295 178.347 176.094 -0.070 0.000 1.051 343 V CA 2.345 64.558 62.300 -0.146 0.000 1.036 343 V CB -0.823 31.018 31.823 0.031 0.000 0.654 343 V HN 0.395 nan 8.190 nan 0.000 0.451 344 E N -0.602 119.612 120.200 0.023 0.000 2.077 344 E HA -0.264 4.087 4.350 0.000 0.000 0.193 344 E C 2.209 178.846 176.600 0.061 0.000 0.989 344 E CA 1.540 57.968 56.400 0.047 0.000 0.800 344 E CB -0.234 29.516 29.700 0.083 0.000 0.746 344 E HN 0.730 nan 8.360 nan 0.000 0.452 345 H N -0.214 118.890 119.070 0.057 0.000 2.357 345 H HA -0.126 4.430 4.556 0.000 0.000 0.301 345 H C 1.680 176.979 175.328 -0.047 0.000 1.082 345 H CA 1.374 57.453 56.048 0.051 0.000 1.342 345 H CB -0.211 29.671 29.762 0.199 0.000 1.389 345 H HN 0.106 nan 8.280 nan 0.000 0.511 346 F N 1.326 121.004 119.950 -0.454 0.000 2.186 346 F HA -0.093 4.435 4.527 0.000 0.000 0.299 346 F C 2.265 177.811 175.800 -0.424 0.000 1.090 346 F CA 1.309 58.975 58.000 -0.557 0.000 1.307 346 F CB -0.045 38.410 39.000 -0.909 0.000 1.019 346 F HN 0.191 nan 8.300 nan 0.000 0.489 347 E N -0.410 119.643 120.200 -0.245 0.000 2.058 347 E HA -0.186 4.164 4.350 0.000 0.000 0.194 347 E C 2.192 178.600 176.600 -0.320 0.000 0.997 347 E CA 1.983 58.231 56.400 -0.253 0.000 0.801 347 E CB -0.691 28.932 29.700 -0.128 0.000 0.746 347 E HN 0.357 nan 8.360 nan 0.000 0.450 348 T N 1.120 115.502 114.554 -0.287 0.000 2.777 348 T HA -0.093 4.257 4.350 0.000 0.000 0.266 348 T C 1.937 176.412 174.700 -0.375 0.000 1.040 348 T CA 1.407 63.344 62.100 -0.271 0.000 1.141 348 T CB -0.183 68.569 68.868 -0.192 0.000 0.868 348 T HN 0.255 nan 8.240 nan 0.000 0.444 349 A N 1.475 123.985 122.820 -0.518 0.000 2.067 349 A HA -0.038 4.282 4.320 0.000 0.000 0.219 349 A C 2.322 179.441 177.584 -0.775 0.000 1.158 349 A CA 1.768 53.478 52.037 -0.546 0.000 0.661 349 A CB -0.663 18.002 19.000 -0.558 0.000 0.801 349 A HN 0.602 nan 8.150 nan 0.000 0.452 350 T N -4.609 109.350 114.554 -0.991 0.000 3.085 350 T HA 0.544 4.894 4.350 0.000 0.000 0.264 350 T C 1.496 175.667 174.700 -0.881 0.000 1.019 350 T CA 0.768 61.934 62.100 -1.557 0.000 0.910 350 T CB 0.276 68.272 68.868 -1.454 0.000 1.059 350 T HN 0.413 nan 8.240 nan 0.000 0.542 351 A N 2.610 125.124 122.820 -0.510 0.000 1.948 351 A HA -0.088 4.232 4.320 0.000 0.000 0.220 351 A C 2.564 180.054 177.584 -0.156 0.000 1.177 351 A CA 2.097 53.974 52.037 -0.266 0.000 0.636 351 A CB -1.097 17.788 19.000 -0.193 0.000 0.815 351 A HN 0.801 nan 8.150 nan 0.000 0.449 352 S N -1.443 114.188 115.700 -0.116 0.000 2.561 352 S HA 0.185 4.655 4.470 0.000 0.000 0.225 352 S C 0.183 174.918 174.600 0.226 0.000 0.977 352 S CA -0.374 57.859 58.200 0.054 0.000 0.926 352 S CB -0.423 62.825 63.200 0.081 0.000 0.769 352 S HN 0.150 nan 8.310 nan 0.000 0.533 353 F N 2.963 122.858 119.950 -0.092 0.000 2.429 353 F HA 0.596 5.123 4.527 0.000 0.000 0.348 353 F C 1.387 177.151 175.800 -0.061 0.000 1.109 353 F CA -1.581 56.370 58.000 -0.082 0.000 1.232 353 F CB -0.043 38.894 39.000 -0.105 0.000 1.157 353 F HN 0.141 nan 8.300 nan 0.000 0.564 354 G N 1.531 110.392 108.800 0.101 0.000 2.403 354 G HA2 0.442 4.402 3.960 0.000 0.000 0.259 354 G HA3 0.442 4.402 3.960 0.000 0.000 0.259 354 G C -0.248 174.677 174.900 0.041 0.000 1.244 354 G CA -0.406 44.719 45.100 0.042 0.000 0.849 354 G HN 0.935 nan 8.290 nan 0.000 0.532 355 A N 2.681 125.520 122.820 0.033 0.000 2.561 355 A HA 0.327 4.647 4.320 0.000 0.000 0.234 355 A C 0.795 178.381 177.584 0.002 0.000 1.055 355 A CA 0.226 52.279 52.037 0.026 0.000 0.756 355 A CB 0.268 19.282 19.000 0.022 0.000 0.986 355 A HN 0.574 nan 8.150 nan 0.000 0.505 356 K N 1.614 122.013 120.400 -0.003 0.000 2.098 356 K HA 0.257 4.577 4.320 0.000 0.000 0.257 356 K C -0.193 176.381 176.600 -0.043 0.000 0.999 356 K CA -0.458 55.802 56.287 -0.045 0.000 0.924 356 K CB 0.646 33.115 32.500 -0.052 0.000 1.028 356 K HN 0.722 nan 8.250 nan 0.000 0.466 357 Q N 2.360 122.102 119.800 -0.097 0.000 2.294 357 Q HA 0.124 4.464 4.340 0.000 0.000 0.257 357 Q C 0.239 176.226 176.000 -0.022 0.000 0.955 357 Q CA -0.162 55.612 55.803 -0.049 0.000 0.936 357 Q CB 1.007 29.718 28.738 -0.044 0.000 1.188 357 Q HN 0.478 nan 8.270 nan 0.000 0.420 358 R N 1.997 122.563 120.500 0.109 0.000 2.457 358 R HA 0.319 4.659 4.340 0.000 0.000 0.284 358 R C 0.208 176.740 176.300 0.386 0.000 1.024 358 R CA -0.708 55.534 56.100 0.237 0.000 1.025 358 R CB 0.649 31.056 30.300 0.178 0.000 1.063 358 R HN 0.583 nan 8.270 nan 0.000 0.493 359 H N 0.248 119.533 119.070 0.358 0.000 2.615 359 H HA 0.124 4.680 4.556 0.000 0.000 0.363 359 H C -1.102 174.368 175.328 0.237 0.000 1.148 359 H CA -0.627 55.589 56.048 0.280 0.000 1.401 359 H CB 0.779 30.641 29.762 0.167 0.000 1.461 359 H HN 0.742 nan 8.280 nan 0.000 0.588 360 D N 2.081 122.515 120.400 0.057 0.000 2.295 360 D HA 0.168 4.808 4.640 0.000 0.000 0.248 360 D C 0.888 177.093 176.300 -0.158 0.000 1.154 360 D CA -0.512 53.462 54.000 -0.045 0.000 0.857 360 D CB -0.001 40.810 40.800 0.019 0.000 1.117 360 D HN 0.645 nan 8.370 nan 0.000 0.468 361 I N 0.291 120.683 120.570 -0.298 0.000 3.947 361 I HA 0.346 4.516 4.170 0.000 0.000 0.327 361 I C 1.085 177.070 176.117 -0.221 0.000 1.519 361 I CA -0.525 60.595 61.300 -0.300 0.000 1.122 361 I CB 0.555 38.229 38.000 -0.543 0.000 1.146 361 I HN 0.122 nan 8.210 nan 0.000 0.442 362 E N 2.604 122.710 120.200 -0.157 0.000 2.114 362 E HA -0.154 4.196 4.350 0.000 0.000 0.199 362 E C -0.389 176.168 176.600 -0.072 0.000 1.008 362 E CA 1.838 58.173 56.400 -0.107 0.000 0.810 362 E CB -1.468 28.195 29.700 -0.062 0.000 0.739 362 E HN 0.482 nan 8.360 nan 0.000 0.456 363 P HA -0.139 nan 4.420 nan 0.000 0.216 363 P C 1.663 178.885 177.300 -0.130 0.000 1.150 363 P CA 0.782 63.919 63.100 0.062 0.000 0.837 363 P CB -0.047 31.809 31.700 0.261 0.000 0.786 364 L N -0.416 120.731 121.223 -0.127 0.000 2.072 364 L HA -0.036 4.304 4.340 0.000 0.000 0.205 364 L C 2.273 178.943 176.870 -0.333 0.000 1.079 364 L CA 1.727 56.349 54.840 -0.363 0.000 0.752 364 L CB -0.849 41.146 42.059 -0.107 0.000 0.906 364 L HN -0.223 nan 8.230 nan 0.000 0.436 365 R N -0.550 119.816 120.500 -0.224 0.000 2.096 365 R HA -0.079 4.261 4.340 0.000 0.000 0.235 365 R C 2.212 178.431 176.300 -0.135 0.000 1.127 365 R CA 1.209 57.208 56.100 -0.170 0.000 0.968 365 R CB -0.565 29.645 30.300 -0.149 0.000 0.861 365 R HN 0.517 nan 8.270 nan 0.000 0.440 366 A N 0.988 123.724 122.820 -0.140 0.000 1.930 366 A HA -0.167 4.153 4.320 0.000 0.000 0.217 366 A C 2.111 179.626 177.584 -0.115 0.000 1.175 366 A CA 1.254 53.233 52.037 -0.097 0.000 0.627 366 A CB -0.294 18.665 19.000 -0.069 0.000 0.815 366 A HN 0.079 nan 8.150 nan 0.000 0.443 367 R N 0.265 120.612 120.500 -0.255 0.000 2.075 367 R HA 0.019 4.359 4.340 0.000 0.000 0.232 367 R C 1.752 178.011 176.300 -0.068 0.000 1.126 367 R CA 1.701 57.643 56.100 -0.263 0.000 0.963 367 R CB -0.777 29.050 30.300 -0.789 0.000 0.858 367 R HN 0.554 nan 8.270 nan 0.000 0.435 368 I N 0.160 120.665 120.570 -0.108 0.000 2.179 368 I HA -0.241 3.929 4.170 0.000 0.000 0.242 368 I C 2.233 178.436 176.117 0.144 0.000 1.088 368 I CA 1.448 62.791 61.300 0.071 0.000 1.357 368 I CB -0.415 37.579 38.000 -0.010 0.000 1.051 368 I HN 0.276 nan 8.210 nan 0.000 0.409 369 A N 0.067 122.918 122.820 0.053 0.000 1.972 369 A HA -0.262 4.058 4.320 0.000 0.000 0.219 369 A C 2.330 179.943 177.584 0.049 0.000 1.169 369 A CA 1.971 54.035 52.037 0.046 0.000 0.635 369 A CB -0.592 18.415 19.000 0.011 0.000 0.810 369 A HN 0.574 nan 8.150 nan 0.000 0.446 370 E N -1.640 118.594 120.200 0.057 0.000 2.122 370 E HA -0.110 4.240 4.350 0.000 0.000 0.190 370 E C 1.627 178.253 176.600 0.042 0.000 0.977 370 E CA 0.532 56.956 56.400 0.040 0.000 0.820 370 E CB -0.214 29.503 29.700 0.029 0.000 0.770 370 E HN 0.514 nan 8.360 nan 0.000 0.462 371 F N 1.336 121.217 119.950 -0.116 0.000 2.102 371 F HA -0.115 4.412 4.527 0.000 0.000 0.298 371 F C 2.251 177.942 175.800 -0.181 0.000 1.105 371 F CA 1.234 59.081 58.000 -0.255 0.000 1.239 371 F CB -0.214 38.549 39.000 -0.396 0.000 0.991 371 F HN 0.026 nan 8.300 nan 0.000 0.474 372 L N -0.922 120.297 121.223 -0.008 0.000 2.131 372 L HA -0.192 4.148 4.340 0.000 0.000 0.210 372 L C 2.297 179.180 176.870 0.021 0.000 1.092 372 L CA 1.157 55.978 54.840 -0.032 0.000 0.759 372 L CB -0.748 41.314 42.059 0.005 0.000 0.903 372 L HN 0.128 nan 8.230 nan 0.000 0.435 373 A N -1.757 121.079 122.820 0.026 0.000 2.275 373 A HA -0.041 4.279 4.320 0.000 0.000 0.212 373 A C 0.605 178.199 177.584 0.016 0.000 1.201 373 A CA -0.245 51.803 52.037 0.019 0.000 0.843 373 A CB -0.293 18.714 19.000 0.013 0.000 0.873 373 A HN 0.240 nan 8.150 nan 0.000 0.492 374 D N 1.507 121.926 120.400 0.031 0.000 2.660 374 D HA -0.044 4.596 4.640 0.000 0.000 0.253 374 D C -1.384 174.935 176.300 0.033 0.000 1.256 374 D CA -0.694 53.330 54.000 0.039 0.000 0.914 374 D CB 0.879 41.756 40.800 0.129 0.000 1.137 374 D HN 0.251 nan 8.370 nan 0.000 0.542 375 P HA 0.034 nan 4.420 nan 0.000 0.255 375 P C 0.347 177.618 177.300 -0.049 0.000 1.248 375 P CA -0.033 63.056 63.100 -0.019 0.000 0.807 375 P CB 0.330 32.014 31.700 -0.027 0.000 1.150 376 E N 0.509 120.659 120.200 -0.084 0.000 2.418 376 E HA 0.119 4.469 4.350 0.000 0.000 0.261 376 E C -0.475 176.014 176.600 -0.185 0.000 1.070 376 E CA 0.270 56.534 56.400 -0.227 0.000 0.931 376 E CB 0.368 29.765 29.700 -0.505 0.000 0.954 376 E HN -0.063 nan 8.360 nan 0.000 0.439 377 T N 3.376 117.795 114.554 -0.225 0.000 2.794 377 T HA 0.314 4.664 4.350 0.000 0.000 0.280 377 T C -1.161 173.422 174.700 -0.195 0.000 0.987 377 T CA -0.322 61.712 62.100 -0.109 0.000 0.993 377 T CB 0.240 69.064 68.868 -0.072 0.000 0.939 377 T HN 0.268 nan 8.240 nan 0.000 0.449 378 Y N 0.659 120.919 120.300 -0.066 0.000 2.488 378 Y HA 0.500 5.050 4.550 0.000 0.000 0.325 378 Y C 1.787 177.653 175.900 -0.056 0.000 1.204 378 Y CA -0.682 57.381 58.100 -0.061 0.000 1.229 378 Y CB 0.551 38.965 38.460 -0.077 0.000 1.274 378 Y HN 0.775 nan 8.280 nan 0.000 0.493 379 E N 0.485 120.755 120.200 0.116 0.000 2.047 379 E HA -0.149 4.201 4.350 0.000 0.000 0.191 379 E C 0.987 177.607 176.600 0.035 0.000 0.987 379 E CA 2.077 58.506 56.400 0.049 0.000 0.799 379 E CB -0.537 29.184 29.700 0.035 0.000 0.752 379 E HN 0.772 nan 8.360 nan 0.000 0.449 380 D N -0.849 119.573 120.400 0.037 0.000 2.214 380 D HA 0.286 4.927 4.640 0.000 0.000 0.217 380 D C 1.309 177.581 176.300 -0.047 0.000 0.973 380 D CA 1.111 55.103 54.000 -0.014 0.000 0.880 380 D CB -0.366 40.412 40.800 -0.036 0.000 1.031 380 D HN 0.515 nan 8.370 nan 0.000 0.468 381 G N -0.815 107.937 108.800 -0.079 0.000 2.815 381 G HA2 0.550 4.510 3.960 0.000 0.000 0.305 381 G HA3 0.550 4.510 3.960 0.000 0.000 0.305 381 G C -0.794 174.024 174.900 -0.136 0.000 1.277 381 G CA -0.828 44.201 45.100 -0.118 0.000 0.795 381 G HN -0.052 nan 8.290 nan 0.000 0.528 382 M N 0.356 119.846 119.600 -0.183 0.000 2.202 382 M HA 0.415 4.895 4.480 0.000 0.000 0.316 382 M C 0.311 176.360 176.300 -0.418 0.000 1.138 382 M CA -0.274 54.887 55.300 -0.231 0.000 1.151 382 M CB 0.653 33.134 32.600 -0.199 0.000 1.422 382 M HN 0.196 nan 8.290 nan 0.000 0.471 383 R N 0.577 120.746 120.500 -0.552 0.000 2.486 383 R HA 0.282 4.622 4.340 0.000 0.000 0.286 383 R C 0.883 176.798 176.300 -0.642 0.000 0.999 383 R CA -0.394 55.280 56.100 -0.711 0.000 0.993 383 R CB 0.876 30.582 30.300 -0.990 0.000 1.084 383 R HN 0.565 nan 8.270 nan 0.000 0.487 384 V N 2.445 122.016 119.914 -0.572 0.000 2.469 384 V HA -0.278 3.842 4.120 0.000 0.000 0.251 384 V C 1.942 177.927 176.094 -0.182 0.000 1.064 384 V CA 2.332 64.389 62.300 -0.404 0.000 1.066 384 V CB -0.934 30.550 31.823 -0.565 0.000 0.667 384 V HN 0.846 nan 8.190 nan 0.000 0.461 385 H N -0.185 118.875 119.070 -0.017 0.000 2.456 385 H HA -0.143 4.413 4.556 0.000 0.000 0.296 385 H C 2.138 177.385 175.328 -0.135 0.000 1.079 385 H CA 1.409 57.390 56.048 -0.111 0.000 1.322 385 H CB -0.479 29.147 29.762 -0.227 0.000 1.388 385 H HN 0.442 nan 8.280 nan 0.000 0.538 386 Q N 0.733 120.356 119.800 -0.294 0.000 2.123 386 Q HA -0.042 4.298 4.340 0.000 0.000 0.199 386 Q C 2.471 178.412 176.000 -0.098 0.000 0.966 386 Q CA 1.243 56.954 55.803 -0.154 0.000 0.845 386 Q CB 0.170 28.802 28.738 -0.177 0.000 0.907 386 Q HN 0.388 nan 8.270 nan 0.000 0.439 387 V N 0.957 120.795 119.914 -0.127 0.000 2.295 387 V HA -0.259 3.862 4.120 0.000 0.000 0.246 387 V C 2.085 178.178 176.094 -0.001 0.000 1.049 387 V CA 1.625 63.877 62.300 -0.080 0.000 1.024 387 V CB -0.397 31.356 31.823 -0.117 0.000 0.648 387 V HN 0.338 nan 8.190 nan 0.000 0.447 388 I N 0.443 121.040 120.570 0.045 0.000 2.315 388 I HA -0.233 3.938 4.170 0.000 0.000 0.248 388 I C 2.309 178.492 176.117 0.111 0.000 1.117 388 I CA 2.004 63.380 61.300 0.126 0.000 1.404 388 I CB -0.371 37.761 38.000 0.220 0.000 1.071 388 I HN 0.411 nan 8.210 nan 0.000 0.419 389 D N 0.419 120.856 120.400 0.061 0.000 2.117 389 D HA -0.170 4.470 4.640 0.000 0.000 0.197 389 D C 2.169 178.506 176.300 0.062 0.000 0.987 389 D CA 1.621 55.654 54.000 0.056 0.000 0.829 389 D CB 0.175 40.988 40.800 0.021 0.000 0.961 389 D HN 0.174 nan 8.370 nan 0.000 0.460 390 S N -0.323 115.403 115.700 0.043 0.000 2.368 390 S HA -0.180 4.290 4.470 0.000 0.000 0.225 390 S C 2.059 176.714 174.600 0.091 0.000 1.030 390 S CA 1.078 59.305 58.200 0.045 0.000 0.999 390 S CB -0.337 62.869 63.200 0.010 0.000 0.844 390 S HN 0.343 nan 8.310 nan 0.000 0.459 391 M N 1.665 121.334 119.600 0.116 0.000 2.159 391 M HA -0.118 4.362 4.480 0.000 0.000 0.263 391 M C 1.782 178.252 176.300 0.282 0.000 1.063 391 M CA 1.093 56.532 55.300 0.231 0.000 1.110 391 M CB -0.567 32.184 32.600 0.252 0.000 1.374 391 M HN 0.221 nan 8.290 nan 0.000 0.411 392 N N -0.144 118.666 118.700 0.184 0.000 2.120 392 N HA -0.112 4.628 4.740 0.000 0.000 0.188 392 N C 1.670 177.252 175.510 0.120 0.000 1.024 392 N CA 1.835 54.969 53.050 0.141 0.000 0.852 392 N CB -0.849 37.706 38.487 0.112 0.000 1.003 392 N HN 0.314 nan 8.380 nan 0.000 0.424 393 T N 0.910 115.531 114.554 0.112 0.000 2.708 393 T HA -0.047 4.304 4.350 0.000 0.000 0.266 393 T C 2.091 176.856 174.700 0.108 0.000 1.037 393 T CA 1.038 63.191 62.100 0.089 0.000 1.146 393 T CB -0.247 68.663 68.868 0.070 0.000 0.865 393 T HN 0.005 nan 8.240 nan 0.000 0.435 394 V N 1.143 121.158 119.914 0.169 0.000 2.591 394 V HA -0.058 4.062 4.120 0.000 0.000 0.249 394 V C 2.352 178.587 176.094 0.236 0.000 1.053 394 V CA 1.263 63.694 62.300 0.218 0.000 1.068 394 V CB -0.593 31.385 31.823 0.258 0.000 0.689 394 V HN 0.373 nan 8.190 nan 0.000 0.462 395 M N 1.167 120.884 119.600 0.196 0.000 2.086 395 M HA -0.197 4.283 4.480 0.000 0.000 0.261 395 M C 2.078 178.344 176.300 -0.055 0.000 1.067 395 M CA 2.228 57.449 55.300 -0.131 0.000 1.116 395 M CB -0.665 31.802 32.600 -0.222 0.000 1.348 395 M HN 0.441 nan 8.290 nan 0.000 0.407 396 E N -0.450 119.757 120.200 0.012 0.000 2.110 396 E HA -0.229 4.121 4.350 0.000 0.000 0.193 396 E C 1.794 178.406 176.600 0.020 0.000 0.988 396 E CA 1.640 58.048 56.400 0.015 0.000 0.804 396 E CB -0.169 29.550 29.700 0.031 0.000 0.745 396 E HN 0.725 nan 8.360 nan 0.000 0.458 397 E N 0.124 120.347 120.200 0.038 0.000 2.051 397 E HA -0.183 4.167 4.350 0.000 0.000 0.192 397 E C 2.029 178.649 176.600 0.034 0.000 0.991 397 E CA 1.148 57.572 56.400 0.040 0.000 0.799 397 E CB -0.142 29.592 29.700 0.056 0.000 0.748 397 E HN 0.394 nan 8.360 nan 0.000 0.449 398 A N 1.036 123.880 122.820 0.039 0.000 1.968 398 A HA 0.182 4.502 4.320 0.000 0.000 0.217 398 A C 1.287 178.871 177.584 -0.001 0.000 1.169 398 A CA 0.898 52.955 52.037 0.034 0.000 0.638 398 A CB -0.044 18.999 19.000 0.072 0.000 0.812 398 A HN 0.227 nan 8.150 nan 0.000 0.446 399 A N 0.566 123.370 122.820 -0.028 0.000 2.306 399 A HA 0.547 4.867 4.320 0.000 0.000 0.314 399 A C -0.107 177.470 177.584 -0.012 0.000 1.164 399 A CA -0.668 51.348 52.037 -0.034 0.000 0.822 399 A CB 0.365 19.324 19.000 -0.068 0.000 1.130 399 A HN 0.310 nan 8.150 nan 0.000 0.496 400 E N 1.441 121.638 120.200 -0.005 0.000 2.458 400 E HA 0.112 4.462 4.350 0.000 0.000 0.264 400 E C -2.236 174.365 176.600 0.003 0.000 1.097 400 E CA -1.080 55.321 56.400 0.002 0.000 0.973 400 E CB -0.330 29.373 29.700 0.005 0.000 0.963 400 E HN 0.369 nan 8.360 nan 0.000 0.451 401 P HA 0.062 nan 4.420 nan 0.000 0.268 401 P C 0.597 177.905 177.300 0.014 0.000 1.205 401 P CA 0.543 63.650 63.100 0.012 0.000 0.771 401 P CB 0.435 32.143 31.700 0.014 0.000 0.858 402 G N 0.982 109.792 108.800 0.017 0.000 2.155 402 G HA2 -0.238 3.722 3.960 0.000 0.000 0.257 402 G HA3 -0.238 3.722 3.960 0.000 0.000 0.257 402 G C -0.009 174.902 174.900 0.018 0.000 0.983 402 G CA 0.085 45.197 45.100 0.019 0.000 0.676 402 G HN 0.593 nan 8.290 nan 0.000 0.528 403 E N -1.083 119.123 120.200 0.010 0.000 2.404 403 E HA 0.643 4.993 4.350 0.000 0.000 0.264 403 E C 0.368 176.959 176.600 -0.015 0.000 0.946 403 E CA -0.522 55.881 56.400 0.004 0.000 0.806 403 E CB 1.964 31.664 29.700 0.001 0.000 1.334 403 E HN 1.537 nan 8.360 nan 0.000 0.429 404 G N 0.318 109.102 108.800 -0.028 0.000 2.712 404 G HA2 -0.101 3.859 3.960 0.000 0.000 0.686 404 G HA3 -0.101 3.859 3.960 0.000 0.000 0.686 404 G C -0.815 174.066 174.900 -0.032 0.000 1.181 404 G CA -0.658 44.398 45.100 -0.073 0.000 0.762 404 G HN 0.371 nan 8.290 nan 0.000 0.641 405 T N 1.748 116.272 114.554 -0.050 0.000 2.879 405 T HA 0.647 4.997 4.350 0.000 0.000 0.290 405 T C 0.356 175.064 174.700 0.013 0.000 0.993 405 T CA -0.440 61.667 62.100 0.012 0.000 0.975 405 T CB 1.441 70.324 68.868 0.025 0.000 0.981 405 T HN 0.649 nan 8.240 nan 0.000 0.439 406 I N 2.819 123.446 120.570 0.095 0.000 2.377 406 I HA 0.546 4.716 4.170 0.000 0.000 0.293 406 I C -0.455 175.708 176.117 0.077 0.000 0.987 406 I CA -0.989 60.413 61.300 0.171 0.000 1.185 406 I CB 1.641 39.826 38.000 0.310 0.000 1.341 406 I HN 0.261 nan 8.210 nan 0.000 0.455 407 V N 4.611 124.565 119.914 0.067 0.000 2.628 407 V HA 0.468 4.589 4.120 0.000 0.000 0.306 407 V C -0.227 175.892 176.094 0.041 0.000 1.045 407 V CA -0.508 61.772 62.300 -0.032 0.000 0.905 407 V CB 1.975 33.806 31.823 0.014 0.000 0.997 407 V HN 0.763 nan 8.190 nan 0.000 0.436 408 S N 2.564 118.252 115.700 -0.020 0.000 2.532 408 S HA 0.390 4.860 4.470 0.000 0.000 0.299 408 S C -0.503 174.253 174.600 0.260 0.000 1.105 408 S CA -0.656 57.654 58.200 0.185 0.000 1.018 408 S CB 1.411 64.726 63.200 0.192 0.000 1.021 408 S HN 0.872 nan 8.310 nan 0.000 0.483 409 D N 2.209 122.865 120.400 0.427 0.000 2.289 409 D HA 0.231 4.871 4.640 0.000 0.000 0.266 409 D C -0.051 176.449 176.300 0.333 0.000 1.243 409 D CA -0.048 54.233 54.000 0.469 0.000 1.019 409 D CB 0.423 41.525 40.800 0.503 0.000 1.126 409 D HN 0.451 nan 8.370 nan 0.000 0.541 410 I N -0.753 120.014 120.570 0.329 0.000 2.493 410 I HA 0.619 4.789 4.170 0.000 0.000 0.298 410 I C 0.969 177.160 176.117 0.123 0.000 0.998 410 I CA -0.294 61.050 61.300 0.073 0.000 1.137 410 I CB 0.592 38.673 38.000 0.136 0.000 1.310 410 I HN 0.608 nan 8.210 nan 0.000 0.445 411 G N 3.688 112.388 108.800 -0.166 0.000 2.359 411 G HA2 0.055 4.015 3.960 0.000 0.000 0.293 411 G HA3 0.055 4.015 3.960 0.000 0.000 0.293 411 G C -0.355 174.451 174.900 -0.157 0.000 1.300 411 G CA -0.657 44.450 45.100 0.012 0.000 0.888 411 G HN 0.318 nan 8.290 nan 0.000 0.541 412 F N 0.956 120.851 119.950 -0.091 0.000 2.134 412 F HA 0.044 4.571 4.527 0.000 0.000 0.299 412 F C 2.597 178.406 175.800 0.016 0.000 1.097 412 F CA 2.235 60.166 58.000 -0.116 0.000 1.264 412 F CB -0.610 38.244 39.000 -0.244 0.000 1.001 412 F HN 0.479 nan 8.300 nan 0.000 0.479 413 F N 0.417 120.420 119.950 0.089 0.000 2.250 413 F HA -0.114 4.413 4.527 0.000 0.000 0.301 413 F C 2.340 178.205 175.800 0.108 0.000 1.077 413 F CA 1.514 59.565 58.000 0.085 0.000 1.348 413 F CB -1.300 37.768 39.000 0.113 0.000 1.040 413 F HN -0.088 nan 8.300 nan 0.000 0.509 414 R N 0.683 120.432 120.500 -1.252 0.000 2.096 414 R HA -0.185 4.155 4.340 0.000 0.000 0.235 414 R C 2.099 178.077 176.300 -0.536 0.000 1.127 414 R CA 2.026 57.603 56.100 -0.871 0.000 0.968 414 R CB -1.049 28.675 30.300 -0.960 0.000 0.861 414 R HN 0.461 nan 8.270 nan 0.000 0.440 415 H N -0.838 118.023 119.070 -0.348 0.000 2.491 415 H HA -0.123 4.433 4.556 0.000 0.000 0.290 415 H C 1.713 176.873 175.328 -0.279 0.000 1.050 415 H CA 1.250 57.087 56.048 -0.351 0.000 1.309 415 H CB -0.225 29.289 29.762 -0.414 0.000 1.392 415 H HN 0.276 nan 8.280 nan 0.000 0.554 416 Y N 0.589 120.802 120.300 -0.145 0.000 2.200 416 Y HA -0.085 4.465 4.550 0.000 0.000 0.290 416 Y C 2.897 178.815 175.900 0.030 0.000 1.137 416 Y CA 1.039 59.174 58.100 0.057 0.000 1.163 416 Y CB -0.698 37.933 38.460 0.285 0.000 0.988 416 Y HN 0.197 nan 8.280 nan 0.000 0.518 417 G N -0.420 108.478 108.800 0.164 0.000 2.442 417 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 417 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 417 G C 1.797 176.384 174.900 -0.522 0.000 1.141 417 G CA 1.456 46.576 45.100 0.034 0.000 0.763 417 G HN 0.298 nan 8.290 nan 0.000 0.554 418 V N 0.683 120.319 119.914 -0.465 0.000 2.343 418 V HA -0.102 4.018 4.120 0.000 0.000 0.247 418 V C 2.864 178.674 176.094 -0.473 0.000 1.051 418 V CA 1.542 63.514 62.300 -0.546 0.000 1.036 418 V CB -0.318 31.251 31.823 -0.422 0.000 0.654 418 V HN 0.353 nan 8.190 nan 0.000 0.451 419 L N -1.899 119.008 121.223 -0.527 0.000 2.162 419 L HA 0.015 4.355 4.340 0.000 0.000 0.205 419 L C 2.086 178.594 176.870 -0.604 0.000 1.086 419 L CA 1.311 55.733 54.840 -0.696 0.000 0.778 419 L CB -0.284 41.033 42.059 -1.237 0.000 0.928 419 L HN 0.283 nan 8.230 nan 0.000 0.446 420 F N -0.386 119.478 119.950 -0.143 0.000 2.694 420 F HA 0.349 4.876 4.527 0.000 0.000 0.292 420 F C 1.367 177.130 175.800 -0.062 0.000 1.121 420 F CA -0.749 57.215 58.000 -0.059 0.000 1.352 420 F CB -0.419 38.611 39.000 0.050 0.000 1.107 420 F HN -0.194 nan 8.300 nan 0.000 0.597 421 A N 1.639 124.447 122.820 -0.021 0.000 2.388 421 A HA 0.376 4.696 4.320 0.000 0.000 0.257 421 A C 0.606 178.182 177.584 -0.014 0.000 1.095 421 A CA -0.468 51.570 52.037 0.001 0.000 0.791 421 A CB 0.132 19.104 19.000 -0.048 0.000 1.029 421 A HN 0.310 nan 8.150 nan 0.000 0.489 422 R N 1.630 122.176 120.500 0.077 0.000 2.389 422 R HA 0.475 4.815 4.340 0.000 0.000 0.295 422 R C -0.538 175.819 176.300 0.096 0.000 1.075 422 R CA 0.450 56.592 56.100 0.071 0.000 1.005 422 R CB 0.435 30.780 30.300 0.075 0.000 0.987 422 R HN 0.819 nan 8.270 nan 0.000 0.452 423 A N 4.036 126.903 122.820 0.079 0.000 2.457 423 A HA 0.204 4.524 4.320 0.000 0.000 0.283 423 A C -0.855 176.772 177.584 0.071 0.000 1.166 423 A CA -0.738 51.364 52.037 0.107 0.000 0.740 423 A CB 1.472 20.558 19.000 0.143 0.000 1.181 423 A HN 0.866 nan 8.150 nan 0.000 0.446 424 D N 1.407 121.843 120.400 0.060 0.000 2.395 424 D HA 0.159 4.799 4.640 0.000 0.000 0.213 424 D C 0.463 176.785 176.300 0.036 0.000 1.110 424 D CA 0.719 54.745 54.000 0.044 0.000 0.835 424 D CB 0.273 41.094 40.800 0.035 0.000 0.965 424 D HN 0.754 nan 8.370 nan 0.000 0.505 425 Q N -1.512 118.312 119.800 0.040 0.000 2.534 425 Q HA 0.525 4.865 4.340 0.000 0.000 0.290 425 Q C -2.990 173.014 176.000 0.006 0.000 0.991 425 Q CA -2.189 53.626 55.803 0.019 0.000 0.783 425 Q CB 1.348 30.102 28.738 0.027 0.000 1.470 425 Q HN -0.265 nan 8.270 nan 0.000 0.406 426 P HA -0.004 nan 4.420 nan 0.000 0.264 426 P C -0.791 176.438 177.300 -0.118 0.000 1.183 426 P CA 0.494 63.459 63.100 -0.226 0.000 0.763 426 P CB -0.072 31.392 31.700 -0.392 0.000 0.807 427 F N 0.894 120.890 119.950 0.077 0.000 3.034 427 F HA -0.183 4.344 4.527 0.000 0.000 0.286 427 F C 1.649 177.494 175.800 0.075 0.000 0.804 427 F CA 1.168 59.211 58.000 0.073 0.000 1.161 427 F CB -2.639 36.388 39.000 0.045 0.000 1.317 427 F HN 0.483 nan 8.300 nan 0.000 0.453 428 G N -1.317 107.626 108.800 0.238 0.000 2.572 428 G HA2 0.083 4.044 3.960 0.000 0.000 0.216 428 G HA3 0.083 4.044 3.960 0.000 0.000 0.216 428 G C 0.152 175.205 174.900 0.254 0.000 1.133 428 G CA 0.576 45.788 45.100 0.186 0.000 0.791 428 G HN 0.342 nan 8.290 nan 0.000 0.538 429 F N 0.613 120.646 119.950 0.137 0.000 2.460 429 F HA 0.700 5.227 4.527 0.000 0.000 0.341 429 F C -1.442 174.460 175.800 0.171 0.000 1.130 429 F CA -1.623 56.459 58.000 0.136 0.000 0.962 429 F CB 1.738 40.807 39.000 0.116 0.000 1.171 429 F HN -0.223 nan 8.300 nan 0.000 0.436 430 L N 5.594 126.528 121.223 -0.481 0.000 2.333 430 L HA 0.707 5.047 4.340 0.000 0.000 0.280 430 L C -0.171 176.450 176.870 -0.415 0.000 1.004 430 L CA -0.076 54.589 54.840 -0.292 0.000 0.820 430 L CB 1.799 43.800 42.059 -0.097 0.000 1.247 430 L HN 0.781 nan 8.230 nan 0.000 0.416 431 T N 0.983 115.404 114.554 -0.222 0.000 2.731 431 T HA 0.419 4.769 4.350 0.000 0.000 0.300 431 T C -1.203 173.323 174.700 -0.290 0.000 1.283 431 T CA -0.468 61.536 62.100 -0.159 0.000 1.005 431 T CB 1.654 70.386 68.868 -0.226 0.000 1.420 431 T HN 0.374 nan 8.240 nan 0.000 0.503 432 S N 1.003 116.283 115.700 -0.700 0.000 2.415 432 S HA 0.585 5.056 4.470 0.000 0.000 0.313 432 S C 1.046 175.520 174.600 -0.210 0.000 1.067 432 S CA -0.009 57.800 58.200 -0.651 0.000 1.099 432 S CB 0.077 62.644 63.200 -1.056 0.000 0.991 432 S HN 0.803 nan 8.310 nan 0.000 0.491 433 A N 4.362 127.135 122.820 -0.078 0.000 1.975 433 A HA 0.277 4.597 4.320 0.000 0.000 0.215 433 A C 1.865 179.403 177.584 -0.076 0.000 1.170 433 A CA 1.119 53.145 52.037 -0.018 0.000 0.656 433 A CB -0.736 18.189 19.000 -0.125 0.000 0.821 433 A HN 0.839 nan 8.150 nan 0.000 0.449 434 G N -1.709 107.036 108.800 -0.091 0.000 2.486 434 G HA2 -0.063 3.897 3.960 0.000 0.000 0.210 434 G HA3 -0.063 3.897 3.960 0.000 0.000 0.210 434 G C 1.632 176.495 174.900 -0.063 0.000 1.168 434 G CA 1.039 46.088 45.100 -0.085 0.000 0.820 434 G HN 0.502 nan 8.290 nan 0.000 0.544 435 C N 0.127 119.392 119.300 -0.057 0.000 2.524 435 C HA 0.369 4.829 4.460 0.000 0.000 0.284 435 C C 1.758 176.731 174.990 -0.028 0.000 1.346 435 C CA 1.220 60.221 59.018 -0.027 0.000 1.739 435 C CB -0.536 27.212 27.740 0.013 0.000 2.119 435 C HN 0.474 nan 8.230 nan 0.000 0.501 436 S N 1.363 117.023 115.700 -0.067 0.000 3.631 436 S HA -0.170 4.300 4.470 0.000 0.000 0.366 436 S C 0.129 174.740 174.600 0.017 0.000 0.993 436 S CA 0.699 58.866 58.200 -0.055 0.000 1.167 436 S CB -1.825 61.367 63.200 -0.013 0.000 0.909 436 S HN 0.865 nan 8.310 nan 0.000 0.478 437 S N 2.088 117.845 115.700 0.094 0.000 2.531 437 S HA 0.492 4.962 4.470 0.000 0.000 0.279 437 S C 0.638 175.448 174.600 0.350 0.000 1.305 437 S CA -0.767 57.544 58.200 0.184 0.000 1.058 437 S CB -0.062 63.302 63.200 0.275 0.000 0.899 437 S HN 0.509 nan 8.310 nan 0.000 0.493 438 F N 3.548 123.545 119.950 0.080 0.000 2.545 438 F HA 0.514 5.041 4.527 0.000 0.000 0.348 438 F C 1.307 177.192 175.800 0.142 0.000 1.163 438 F CA -0.990 57.090 58.000 0.132 0.000 1.331 438 F CB -1.221 37.853 39.000 0.123 0.000 1.138 438 F HN 0.839 nan 8.300 nan 0.000 0.602 439 G N 1.909 110.864 108.800 0.260 0.000 2.184 439 G HA2 -0.416 3.544 3.960 0.000 0.000 0.264 439 G HA3 -0.416 3.544 3.960 0.000 0.000 0.264 439 G C 0.703 175.869 174.900 0.444 0.000 0.975 439 G CA 0.517 45.728 45.100 0.184 0.000 0.642 439 G HN 1.126 nan 8.290 nan 0.000 0.536 440 Y N 1.497 122.028 120.300 0.384 0.000 2.384 440 Y HA 0.086 4.636 4.550 0.000 0.000 0.289 440 Y C 2.406 178.366 175.900 0.101 0.000 1.152 440 Y CA 2.244 60.502 58.100 0.262 0.000 1.258 440 Y CB -0.378 38.215 38.460 0.222 0.000 0.979 440 Y HN 0.215 nan 8.280 nan 0.000 0.549 441 G N 0.927 109.850 108.800 0.205 0.000 2.421 441 G HA2 -0.259 3.701 3.960 0.000 0.000 0.216 441 G HA3 -0.259 3.701 3.960 0.000 0.000 0.216 441 G C 1.704 176.590 174.900 -0.024 0.000 1.171 441 G CA 1.315 46.479 45.100 0.107 0.000 0.775 441 G HN 0.489 nan 8.290 nan 0.000 0.543 442 I N 1.876 122.451 120.570 0.008 0.000 2.099 442 I HA -0.135 4.035 4.170 0.000 0.000 0.239 442 I C 0.120 176.155 176.117 -0.137 0.000 1.066 442 I CA 1.462 62.746 61.300 -0.027 0.000 1.324 442 I CB -0.988 36.990 38.000 -0.036 0.000 1.037 442 I HN 0.193 nan 8.210 nan 0.000 0.401 443 P HA -0.155 nan 4.420 nan 0.000 0.217 443 P C 1.393 178.439 177.300 -0.424 0.000 1.150 443 P CA 1.958 64.850 63.100 -0.347 0.000 0.832 443 P CB -0.060 31.354 31.700 -0.477 0.000 0.787 444 A N 0.625 123.111 122.820 -0.557 0.000 1.902 444 A HA -0.057 4.263 4.320 0.000 0.000 0.217 444 A C 2.491 179.909 177.584 -0.277 0.000 1.181 444 A CA 2.181 53.887 52.037 -0.551 0.000 0.623 444 A CB -1.530 16.960 19.000 -0.850 0.000 0.818 444 A HN 0.226 nan 8.150 nan 0.000 0.443 445 A N -0.144 122.569 122.820 -0.178 0.000 1.930 445 A HA -0.040 4.280 4.320 0.000 0.000 0.217 445 A C 2.105 179.650 177.584 -0.065 0.000 1.175 445 A CA 1.412 53.407 52.037 -0.070 0.000 0.627 445 A CB -0.571 18.429 19.000 -0.001 0.000 0.815 445 A HN 0.496 nan 8.150 nan 0.000 0.443 446 I N -0.298 120.215 120.570 -0.096 0.000 2.113 446 I HA -0.227 3.943 4.170 0.000 0.000 0.238 446 I C 2.771 178.838 176.117 -0.082 0.000 1.070 446 I CA 1.320 62.579 61.300 -0.069 0.000 1.332 446 I CB -0.739 37.211 38.000 -0.083 0.000 1.044 446 I HN 0.387 nan 8.210 nan 0.000 0.402 447 G N 0.305 108.992 108.800 -0.189 0.000 2.440 447 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 447 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 447 G C 1.826 176.669 174.900 -0.095 0.000 1.154 447 G CA 0.936 45.924 45.100 -0.187 0.000 0.767 447 G HN 0.514 nan 8.290 nan 0.000 0.552 448 A N 0.114 122.877 122.820 -0.096 0.000 1.873 448 A HA -0.056 4.264 4.320 0.000 0.000 0.215 448 A C 2.321 179.899 177.584 -0.010 0.000 1.186 448 A CA 2.205 54.212 52.037 -0.049 0.000 0.616 448 A CB -0.473 18.499 19.000 -0.047 0.000 0.823 448 A HN 0.408 nan 8.150 nan 0.000 0.442 449 Q N -0.487 119.312 119.800 -0.002 0.000 2.124 449 Q HA -0.044 4.296 4.340 0.000 0.000 0.202 449 Q C 1.920 177.935 176.000 0.026 0.000 0.977 449 Q CA 1.945 57.761 55.803 0.021 0.000 0.850 449 Q CB -0.425 28.333 28.738 0.033 0.000 0.901 449 Q HN 0.682 nan 8.270 nan 0.000 0.429 450 M N -1.059 118.559 119.600 0.029 0.000 2.296 450 M HA -0.045 4.435 4.480 0.000 0.000 0.265 450 M C 1.933 178.255 176.300 0.038 0.000 1.064 450 M CA 1.256 56.583 55.300 0.045 0.000 1.109 450 M CB -0.070 32.582 32.600 0.087 0.000 1.396 450 M HN 0.322 nan 8.290 nan 0.000 0.430 451 A N 0.285 123.121 122.820 0.027 0.000 1.975 451 A HA 0.032 4.352 4.320 0.000 0.000 0.215 451 A C 1.273 178.875 177.584 0.030 0.000 1.170 451 A CA 0.841 52.895 52.037 0.028 0.000 0.656 451 A CB -0.011 18.998 19.000 0.016 0.000 0.821 451 A HN 0.391 nan 8.150 nan 0.000 0.449 452 R N -0.290 120.226 120.500 0.028 0.000 2.868 452 R HA 0.218 4.558 4.340 0.000 0.000 0.289 452 R C -2.174 174.141 176.300 0.025 0.000 1.443 452 R CA -1.644 54.472 56.100 0.028 0.000 1.651 452 R CB 0.845 31.162 30.300 0.028 0.000 1.242 452 R HN 0.265 nan 8.270 nan 0.000 0.621 453 P HA -0.161 nan 4.420 nan 0.000 0.218 453 P C 0.009 177.323 177.300 0.024 0.000 1.148 453 P CA 1.296 64.411 63.100 0.025 0.000 0.822 453 P CB 0.331 32.044 31.700 0.022 0.000 0.784 454 D N -0.621 119.792 120.400 0.021 0.000 2.491 454 D HA 0.124 4.764 4.640 0.000 0.000 0.228 454 D C 0.425 176.735 176.300 0.016 0.000 1.183 454 D CA 0.232 54.243 54.000 0.019 0.000 0.827 454 D CB 0.312 41.122 40.800 0.017 0.000 0.989 454 D HN 0.353 nan 8.370 nan 0.000 0.494 455 Q N 0.695 120.504 119.800 0.015 0.000 2.365 455 Q HA 0.400 4.740 4.340 0.000 0.000 0.269 455 Q C -2.616 173.384 176.000 -0.000 0.000 1.061 455 Q CA -2.067 53.737 55.803 0.002 0.000 0.816 455 Q CB 2.501 31.239 28.738 -0.000 0.000 1.325 455 Q HN -0.129 nan 8.270 nan 0.000 0.446 456 P HA 0.015 nan 4.420 nan 0.000 0.265 456 P C -1.010 176.242 177.300 -0.080 0.000 1.193 456 P CA 0.149 63.220 63.100 -0.049 0.000 0.765 456 P CB 0.554 32.140 31.700 -0.190 0.000 0.823 457 T N 3.956 118.545 114.554 0.058 0.000 2.906 457 T HA 0.500 4.850 4.350 0.000 0.000 0.302 457 T C -0.685 174.231 174.700 0.360 0.000 1.002 457 T CA -0.208 61.953 62.100 0.101 0.000 0.988 457 T CB 0.073 68.995 68.868 0.090 0.000 0.972 457 T HN 0.038 nan 8.240 nan 0.000 0.447 458 F N 2.587 122.571 119.950 0.057 0.000 2.470 458 F HA 0.778 5.305 4.527 0.000 0.000 0.329 458 F C -0.078 175.754 175.800 0.053 0.000 1.072 458 F CA -2.167 55.868 58.000 0.057 0.000 0.989 458 F CB 1.482 40.524 39.000 0.070 0.000 1.193 458 F HN 0.302 nan 8.300 nan 0.000 0.481 459 L N 4.187 125.537 121.223 0.211 0.000 2.385 459 L HA 0.649 4.989 4.340 0.000 0.000 0.273 459 L C -1.401 175.514 176.870 0.074 0.000 0.990 459 L CA -0.535 54.383 54.840 0.131 0.000 0.821 459 L CB 1.678 43.794 42.059 0.094 0.000 1.279 459 L HN 0.579 nan 8.230 nan 0.000 0.412 460 I N 4.655 125.294 120.570 0.116 0.000 2.404 460 I HA 0.879 5.049 4.170 0.000 0.000 0.293 460 I C -0.832 175.292 176.117 0.012 0.000 0.992 460 I CA -0.232 61.087 61.300 0.031 0.000 1.149 460 I CB 1.480 39.563 38.000 0.139 0.000 1.315 460 I HN 0.921 nan 8.210 nan 0.000 0.446 461 A N 4.845 127.472 122.820 -0.322 0.000 2.556 461 A HA 0.830 5.150 4.320 0.000 0.000 0.294 461 A C -0.539 176.508 177.584 -0.895 0.000 1.091 461 A CA -0.392 51.395 52.037 -0.418 0.000 0.704 461 A CB 1.368 20.360 19.000 -0.013 0.000 1.300 461 A HN 0.818 nan 8.150 nan 0.000 0.406 462 G N -0.511 107.763 108.800 -0.877 0.000 2.488 462 G HA2 0.449 4.409 3.960 0.000 0.000 0.318 462 G HA3 0.449 4.409 3.960 0.000 0.000 0.318 462 G C 0.406 175.185 174.900 -0.201 0.000 1.188 462 G CA 0.313 45.106 45.100 -0.512 0.000 0.944 462 G HN 0.806 nan 8.290 nan 0.000 0.495 463 D N -0.334 119.984 120.400 -0.136 0.000 2.144 463 D HA -0.097 4.543 4.640 0.000 0.000 0.200 463 D C 2.085 178.467 176.300 0.137 0.000 0.978 463 D CA 1.275 55.215 54.000 -0.100 0.000 0.833 463 D CB -0.574 40.289 40.800 0.105 0.000 0.961 463 D HN 0.464 nan 8.370 nan 0.000 0.470 464 G N 0.940 109.904 108.800 0.274 0.000 2.414 464 G HA2 -0.138 3.822 3.960 0.000 0.000 0.215 464 G HA3 -0.138 3.822 3.960 0.000 0.000 0.215 464 G C 1.760 176.753 174.900 0.155 0.000 1.188 464 G CA 1.075 46.388 45.100 0.355 0.000 0.783 464 G HN 0.467 nan 8.290 nan 0.000 0.537 465 G N -0.043 108.891 108.800 0.224 0.000 2.396 465 G HA2 -0.054 3.906 3.960 0.000 0.000 0.214 465 G HA3 -0.054 3.906 3.960 0.000 0.000 0.214 465 G C 1.609 176.474 174.900 -0.057 0.000 1.166 465 G CA 0.711 45.846 45.100 0.057 0.000 0.793 465 G HN 0.300 nan 8.290 nan 0.000 0.533 466 F N 1.220 121.127 119.950 -0.072 0.000 2.069 466 F HA -0.136 4.391 4.527 0.000 0.000 0.298 466 F C 2.459 178.251 175.800 -0.014 0.000 1.113 466 F CA 2.041 59.990 58.000 -0.086 0.000 1.214 466 F CB -0.352 38.512 39.000 -0.227 0.000 0.978 466 F HN 0.248 nan 8.300 nan 0.000 0.474 467 H N -0.116 118.936 119.070 -0.029 0.000 2.491 467 H HA -0.054 4.502 4.556 0.000 0.000 0.290 467 H C 2.489 177.625 175.328 -0.321 0.000 1.050 467 H CA 1.129 57.114 56.048 -0.104 0.000 1.309 467 H CB -0.468 29.311 29.762 0.028 0.000 1.392 467 H HN 0.370 nan 8.280 nan 0.000 0.554 468 S N -0.888 114.538 115.700 -0.457 0.000 2.419 468 S HA -0.162 4.308 4.470 0.000 0.000 0.235 468 S C 1.553 175.840 174.600 -0.522 0.000 1.019 468 S CA 1.595 59.383 58.200 -0.687 0.000 0.982 468 S CB -0.040 62.246 63.200 -1.522 0.000 0.789 468 S HN 0.427 nan 8.310 nan 0.000 0.490 469 N N -0.003 118.432 118.700 -0.441 0.000 2.387 469 N HA 0.234 4.974 4.740 0.000 0.000 0.259 469 N C 0.856 176.128 175.510 -0.396 0.000 1.369 469 N CA 0.553 53.413 53.050 -0.317 0.000 0.867 469 N CB 0.628 39.058 38.487 -0.095 0.000 1.341 469 N HN 0.401 nan 8.380 nan 0.000 0.495 470 S N -1.970 113.414 115.700 -0.527 0.000 2.474 470 S HA -0.027 4.443 4.470 0.000 0.000 0.235 470 S C 1.749 176.176 174.600 -0.288 0.000 0.997 470 S CA 0.664 58.494 58.200 -0.616 0.000 0.949 470 S CB -0.127 62.855 63.200 -0.362 0.000 0.766 470 S HN 0.129 nan 8.310 nan 0.000 0.517 471 S N 2.006 117.571 115.700 -0.225 0.000 2.419 471 S HA -0.075 4.395 4.470 0.000 0.000 0.233 471 S C 1.228 175.785 174.600 -0.072 0.000 1.016 471 S CA 1.044 59.169 58.200 -0.124 0.000 0.974 471 S CB -0.410 62.717 63.200 -0.122 0.000 0.786 471 S HN 0.554 nan 8.310 nan 0.000 0.492 472 D N 1.019 121.371 120.400 -0.080 0.000 2.352 472 D HA 0.106 4.746 4.640 0.000 0.000 0.232 472 D C 1.441 177.730 176.300 -0.020 0.000 1.055 472 D CA 0.060 54.040 54.000 -0.033 0.000 0.891 472 D CB -0.008 40.777 40.800 -0.025 0.000 0.897 472 D HN 0.347 nan 8.370 nan 0.000 0.529 473 L N 0.749 121.959 121.223 -0.022 0.000 2.081 473 L HA -0.191 4.149 4.340 0.000 0.000 0.212 473 L C 2.546 179.437 176.870 0.036 0.000 1.080 473 L CA 1.171 56.033 54.840 0.038 0.000 0.754 473 L CB -0.197 41.910 42.059 0.079 0.000 0.893 473 L HN 0.014 nan 8.230 nan 0.000 0.433 474 E N -0.245 119.968 120.200 0.022 0.000 2.106 474 E HA -0.189 4.161 4.350 0.000 0.000 0.192 474 E C 1.971 178.588 176.600 0.028 0.000 0.984 474 E CA 1.799 58.215 56.400 0.025 0.000 0.806 474 E CB 0.027 29.738 29.700 0.019 0.000 0.750 474 E HN 0.444 nan 8.360 nan 0.000 0.458 475 T N 1.482 116.052 114.554 0.026 0.000 2.788 475 T HA -0.094 4.256 4.350 0.000 0.000 0.268 475 T C 2.050 176.769 174.700 0.033 0.000 1.044 475 T CA 1.186 63.303 62.100 0.030 0.000 1.139 475 T CB -0.142 68.744 68.868 0.029 0.000 0.867 475 T HN 0.182 nan 8.240 nan 0.000 0.454 476 I N 1.155 121.746 120.570 0.035 0.000 2.226 476 I HA -0.180 3.990 4.170 0.000 0.000 0.245 476 I C 2.887 179.031 176.117 0.046 0.000 1.100 476 I CA 1.085 62.411 61.300 0.043 0.000 1.374 476 I CB -0.422 37.610 38.000 0.053 0.000 1.057 476 I HN 0.206 nan 8.210 nan 0.000 0.413 477 A N 0.591 123.438 122.820 0.045 0.000 1.877 477 A HA -0.242 4.078 4.320 0.000 0.000 0.216 477 A C 2.395 180.000 177.584 0.035 0.000 1.186 477 A CA 1.714 53.777 52.037 0.043 0.000 0.620 477 A CB -0.610 18.416 19.000 0.042 0.000 0.822 477 A HN 0.302 nan 8.150 nan 0.000 0.443 478 R N -0.455 120.063 120.500 0.031 0.000 2.081 478 R HA -0.025 4.315 4.340 0.000 0.000 0.235 478 R C 1.679 177.993 176.300 0.023 0.000 1.131 478 R CA 1.554 57.669 56.100 0.026 0.000 0.960 478 R CB -0.341 29.975 30.300 0.026 0.000 0.856 478 R HN 0.524 nan 8.270 nan 0.000 0.436 479 L N 0.174 121.412 121.223 0.025 0.000 2.554 479 L HA 0.060 4.400 4.340 0.000 0.000 0.226 479 L C 0.379 177.264 176.870 0.025 0.000 1.137 479 L CA -0.005 54.848 54.840 0.022 0.000 0.863 479 L CB -0.294 41.781 42.059 0.026 0.000 0.985 479 L HN 0.321 nan 8.230 nan 0.000 0.451 480 N N 1.004 119.723 118.700 0.031 0.000 2.725 480 N HA -0.204 4.536 4.740 0.000 0.000 0.251 480 N C -0.596 174.938 175.510 0.039 0.000 1.031 480 N CA 0.418 53.490 53.050 0.035 0.000 0.720 480 N CB -1.157 37.347 38.487 0.029 0.000 0.930 480 N HN 0.248 nan 8.380 nan 0.000 0.543 481 L N 0.728 121.978 121.223 0.045 0.000 2.278 481 L HA 0.331 4.671 4.340 0.000 0.000 0.287 481 L C -1.324 175.585 176.870 0.065 0.000 1.072 481 L CA -1.626 53.244 54.840 0.050 0.000 0.819 481 L CB 0.876 42.964 42.059 0.047 0.000 1.176 481 L HN 0.074 nan 8.230 nan 0.000 0.435 482 P HA 0.090 nan 4.420 nan 0.000 0.238 482 P C -0.009 177.363 177.300 0.119 0.000 1.714 482 P CA 0.078 63.231 63.100 0.088 0.000 0.908 482 P CB -0.321 31.425 31.700 0.077 0.000 1.893 483 I N 0.382 121.021 120.570 0.114 0.000 2.496 483 I HA 0.053 4.223 4.170 0.000 0.000 0.285 483 I C 0.638 176.836 176.117 0.135 0.000 1.080 483 I CA -0.468 60.913 61.300 0.135 0.000 1.404 483 I CB 1.148 39.208 38.000 0.101 0.000 1.403 483 I HN -0.143 nan 8.210 nan 0.000 0.539 484 V N 5.824 125.829 119.914 0.153 0.000 2.364 484 V HA 0.270 4.390 4.120 0.000 0.000 0.272 484 V C 0.256 176.321 176.094 -0.048 0.000 1.036 484 V CA -0.386 61.923 62.300 0.015 0.000 0.880 484 V CB 1.016 32.715 31.823 -0.207 0.000 0.991 484 V HN 0.731 nan 8.190 nan 0.000 0.460 485 T N 4.533 119.033 114.554 -0.090 0.000 2.859 485 T HA 0.606 4.956 4.350 0.000 0.000 0.281 485 T C -0.346 174.195 174.700 -0.264 0.000 1.005 485 T CA -0.398 61.617 62.100 -0.143 0.000 1.025 485 T CB 1.801 70.595 68.868 -0.125 0.000 0.977 485 T HN 0.347 nan 8.240 nan 0.000 0.458 486 V N 3.638 123.383 119.914 -0.281 0.000 2.409 486 V HA 0.317 4.437 4.120 0.000 0.000 0.290 486 V C -0.240 175.585 176.094 -0.448 0.000 1.017 486 V CA -0.816 61.290 62.300 -0.324 0.000 0.841 486 V CB 1.629 33.316 31.823 -0.226 0.000 1.003 486 V HN 0.725 nan 8.190 nan 0.000 0.426 487 V N 6.089 125.649 119.914 -0.591 0.000 2.368 487 V HA 0.221 4.341 4.120 0.000 0.000 0.266 487 V C 0.310 176.068 176.094 -0.560 0.000 1.045 487 V CA -0.538 61.306 62.300 -0.760 0.000 0.899 487 V CB 1.581 32.724 31.823 -1.133 0.000 1.006 487 V HN 0.727 nan 8.190 nan 0.000 0.470 488 V N 2.643 122.242 119.914 -0.524 0.000 2.405 488 V HA 0.463 4.583 4.120 0.000 0.000 0.264 488 V C 0.150 176.049 176.094 -0.325 0.000 1.048 488 V CA -0.377 61.685 62.300 -0.397 0.000 0.966 488 V CB 0.741 32.343 31.823 -0.368 0.000 1.015 488 V HN 0.738 nan 8.190 nan 0.000 0.477 489 N N 4.969 123.525 118.700 -0.240 0.000 2.424 489 N HA 0.390 5.130 4.740 0.000 0.000 0.271 489 N C 0.208 175.688 175.510 -0.050 0.000 0.985 489 N CA -0.455 52.530 53.050 -0.108 0.000 0.921 489 N CB 1.476 39.944 38.487 -0.033 0.000 1.149 489 N HN 0.914 nan 8.380 nan 0.000 0.492 490 N N 2.029 120.754 118.700 0.041 0.000 2.240 490 N HA 0.061 4.801 4.740 0.000 0.000 0.240 490 N C -1.059 174.532 175.510 0.136 0.000 1.277 490 N CA -0.202 52.882 53.050 0.055 0.000 0.873 490 N CB 0.002 38.514 38.487 0.040 0.000 1.222 490 N HN 0.511 nan 8.380 nan 0.000 0.507 491 D N 0.165 120.690 120.400 0.208 0.000 2.811 491 D HA -0.138 4.502 4.640 0.000 0.000 0.231 491 D C -0.905 175.565 176.300 0.283 0.000 1.157 491 D CA 1.224 55.402 54.000 0.297 0.000 0.716 491 D CB -1.573 39.336 40.800 0.181 0.000 1.077 491 D HN 0.452 nan 8.370 nan 0.000 0.428 492 T N 0.160 114.893 114.554 0.300 0.000 2.932 492 T HA 0.203 4.553 4.350 0.000 0.000 0.318 492 T C -0.057 174.785 174.700 0.238 0.000 1.265 492 T CA -0.808 61.349 62.100 0.094 0.000 1.036 492 T CB 1.597 70.537 68.868 0.121 0.000 1.209 492 T HN -0.151 nan 8.240 nan 0.000 0.484 493 N N 1.801 120.538 118.700 0.063 0.000 2.671 493 N HA 0.196 4.936 4.740 0.000 0.000 0.274 493 N C 1.465 177.089 175.510 0.189 0.000 1.188 493 N CA -0.029 53.155 53.050 0.223 0.000 1.065 493 N CB 0.633 39.221 38.487 0.169 0.000 1.415 493 N HN 0.892 nan 8.380 nan 0.000 0.511 494 G N 1.608 110.563 108.800 0.259 0.000 2.418 494 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 494 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 494 G C 1.439 176.409 174.900 0.117 0.000 1.158 494 G CA 0.120 45.361 45.100 0.235 0.000 0.771 494 G HN 0.499 nan 8.290 nan 0.000 0.545 495 L N 0.365 121.657 121.223 0.116 0.000 2.079 495 L HA -0.090 4.250 4.340 0.000 0.000 0.210 495 L C 2.562 179.486 176.870 0.091 0.000 1.081 495 L CA 1.153 56.026 54.840 0.055 0.000 0.752 495 L CB -0.199 41.969 42.059 0.182 0.000 0.896 495 L HN 0.134 nan 8.230 nan 0.000 0.433 496 I N -0.333 120.308 120.570 0.118 0.000 2.617 496 I HA -0.213 3.957 4.170 0.000 0.000 0.256 496 I C 2.366 178.521 176.117 0.063 0.000 1.167 496 I CA 0.994 62.361 61.300 0.112 0.000 1.469 496 I CB -1.148 36.893 38.000 0.068 0.000 1.098 496 I HN 0.375 nan 8.210 nan 0.000 0.436 497 E N 1.335 121.559 120.200 0.039 0.000 2.106 497 E HA -0.183 4.167 4.350 0.000 0.000 0.192 497 E C 2.420 178.896 176.600 -0.208 0.000 0.984 497 E CA 0.648 57.062 56.400 0.024 0.000 0.806 497 E CB 0.062 29.870 29.700 0.180 0.000 0.750 497 E HN 0.372 nan 8.360 nan 0.000 0.458 498 L N 0.119 121.065 121.223 -0.462 0.000 2.013 498 L HA -0.244 4.097 4.340 0.000 0.000 0.212 498 L C 2.053 178.558 176.870 -0.608 0.000 1.073 498 L CA 1.740 56.010 54.840 -0.949 0.000 0.753 498 L CB -0.354 41.023 42.059 -1.137 0.000 0.890 498 L HN 0.332 nan 8.230 nan 0.000 0.432 499 Y N 0.149 120.255 120.300 -0.323 0.000 2.293 499 Y HA -0.236 4.314 4.550 0.000 0.000 0.291 499 Y C 2.799 178.627 175.900 -0.119 0.000 1.137 499 Y CA 1.235 59.211 58.100 -0.206 0.000 1.202 499 Y CB -0.220 38.163 38.460 -0.129 0.000 0.990 499 Y HN 0.314 nan 8.280 nan 0.000 0.537 500 Q N -0.077 119.764 119.800 0.068 0.000 2.061 500 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 500 Q C 1.937 177.997 176.000 0.101 0.000 0.984 500 Q CA 1.490 57.377 55.803 0.139 0.000 0.846 500 Q CB -0.258 28.541 28.738 0.103 0.000 0.902 500 Q HN 0.547 nan 8.270 nan 0.000 0.421 501 N N 0.373 119.049 118.700 -0.040 0.000 2.244 501 N HA -0.105 4.635 4.740 0.000 0.000 0.183 501 N C 1.835 177.352 175.510 0.012 0.000 1.016 501 N CA 0.927 53.959 53.050 -0.031 0.000 0.866 501 N CB -0.006 38.370 38.487 -0.185 0.000 0.980 501 N HN 0.262 nan 8.380 nan 0.000 0.430 502 I N 0.481 120.979 120.570 -0.120 0.000 2.252 502 I HA -0.131 4.040 4.170 0.000 0.000 0.245 502 I C 2.415 178.488 176.117 -0.074 0.000 1.102 502 I CA 1.091 62.334 61.300 -0.095 0.000 1.385 502 I CB -0.319 37.531 38.000 -0.251 0.000 1.064 502 I HN 0.119 nan 8.210 nan 0.000 0.414 503 G N -0.978 107.725 108.800 -0.161 0.000 2.453 503 G HA2 -0.126 3.834 3.960 0.000 0.000 0.215 503 G HA3 -0.126 3.834 3.960 0.000 0.000 0.215 503 G C 1.029 175.548 174.900 -0.634 0.000 1.147 503 G CA 0.393 45.249 45.100 -0.406 0.000 0.802 503 G HN 0.473 nan 8.290 nan 0.000 0.535 504 H N -2.310 116.693 119.070 -0.112 0.000 3.233 504 H HA 0.229 4.785 4.556 0.000 0.000 0.263 504 H C 0.647 175.937 175.328 -0.063 0.000 1.168 504 H CA -0.288 55.682 56.048 -0.130 0.000 1.159 504 H CB 0.589 30.316 29.762 -0.059 0.000 1.593 504 H HN 0.231 nan 8.280 nan 0.000 0.580 505 H N 0.165 119.267 119.070 0.054 0.000 3.047 505 H HA -0.180 4.376 4.556 0.000 0.000 0.263 505 H C 0.209 175.567 175.328 0.049 0.000 1.168 505 H CA 1.168 57.234 56.048 0.031 0.000 1.152 505 H CB -1.313 28.464 29.762 0.025 0.000 1.278 505 H HN 0.629 nan 8.280 nan 0.000 0.339 506 R N -1.793 118.813 120.500 0.177 0.000 2.766 506 R HA 0.736 5.076 4.340 0.000 0.000 0.270 506 R C -0.733 175.631 176.300 0.107 0.000 1.035 506 R CA -0.645 55.528 56.100 0.122 0.000 0.911 506 R CB 1.254 31.612 30.300 0.098 0.000 1.243 506 R HN -0.018 nan 8.270 nan 0.000 0.460 507 S N -0.227 115.534 115.700 0.102 0.000 2.693 507 S HA 0.349 4.819 4.470 0.000 0.000 0.276 507 S C -0.849 173.837 174.600 0.142 0.000 1.192 507 S CA -0.522 57.742 58.200 0.106 0.000 0.994 507 S CB 0.588 63.851 63.200 0.105 0.000 1.012 507 S HN 0.692 nan 8.310 nan 0.000 0.550 508 H N 0.196 119.263 119.070 -0.004 0.000 3.162 508 H HA 0.320 4.876 4.556 0.000 0.000 0.309 508 H C -0.448 174.868 175.328 -0.020 0.000 1.156 508 H CA -0.682 55.353 56.048 -0.022 0.000 1.586 508 H CB 0.141 29.872 29.762 -0.052 0.000 1.740 508 H HN 0.436 nan 8.280 nan 0.000 0.525 509 D N 4.446 124.725 120.400 -0.202 0.000 2.123 509 D HA -0.113 4.528 4.640 0.000 0.000 0.196 509 D C -0.813 175.319 176.300 -0.281 0.000 0.992 509 D CA 0.974 54.858 54.000 -0.193 0.000 0.833 509 D CB -0.834 39.894 40.800 -0.120 0.000 0.954 509 D HN 0.522 nan 8.370 nan 0.000 0.455 510 P HA -0.077 nan 4.420 nan 0.000 0.220 510 P C 0.839 178.021 177.300 -0.196 0.000 1.144 510 P CA 1.509 64.421 63.100 -0.313 0.000 0.800 510 P CB 0.011 31.485 31.700 -0.376 0.000 0.772 511 A N -1.175 121.533 122.820 -0.187 0.000 2.195 511 A HA 0.119 4.439 4.320 0.000 0.000 0.210 511 A C 1.696 179.230 177.584 -0.083 0.000 1.165 511 A CA 1.236 53.234 52.037 -0.064 0.000 0.806 511 A CB -0.488 18.527 19.000 0.025 0.000 0.847 511 A HN 0.207 nan 8.150 nan 0.000 0.482 512 V N -5.987 113.833 119.914 -0.156 0.000 3.356 512 V HA 0.366 4.487 4.120 0.000 0.000 0.274 512 V C -0.242 175.580 176.094 -0.455 0.000 1.631 512 V CA -0.372 61.798 62.300 -0.217 0.000 1.025 512 V CB -0.052 31.718 31.823 -0.088 0.000 0.840 512 V HN 0.048 nan 8.190 nan 0.000 0.419 513 K N 1.633 121.794 120.400 -0.400 0.000 2.185 513 K HA 0.660 4.980 4.320 0.000 0.000 0.269 513 K C -1.260 175.097 176.600 -0.405 0.000 0.987 513 K CA -0.309 55.754 56.287 -0.373 0.000 0.865 513 K CB 1.788 34.197 32.500 -0.152 0.000 1.090 513 K HN 0.295 nan 8.250 nan 0.000 0.450 514 F N -0.458 119.530 119.950 0.062 0.000 2.497 514 F HA 0.484 5.011 4.527 0.000 0.000 0.331 514 F C 1.439 177.257 175.800 0.031 0.000 1.060 514 F CA -0.852 57.180 58.000 0.054 0.000 0.989 514 F CB 0.633 39.680 39.000 0.078 0.000 1.245 514 F HN 0.557 nan 8.300 nan 0.000 0.486 515 G N -0.471 108.468 108.800 0.232 0.000 2.588 515 G HA2 0.454 4.414 3.960 0.000 0.000 0.278 515 G HA3 0.454 4.414 3.960 0.000 0.000 0.278 515 G C -0.090 174.862 174.900 0.087 0.000 1.307 515 G CA -0.464 44.705 45.100 0.114 0.000 1.016 515 G HN 0.892 nan 8.290 nan 0.000 0.503 516 G N -1.822 106.988 108.800 0.017 0.000 2.432 516 G HA2 0.461 4.421 3.960 0.000 0.000 0.257 516 G HA3 0.461 4.421 3.960 0.000 0.000 0.257 516 G C -0.779 174.035 174.900 -0.143 0.000 1.238 516 G CA -0.136 44.944 45.100 -0.033 0.000 0.838 516 G HN 0.607 nan 8.290 nan 0.000 0.547 517 V N 2.381 122.137 119.914 -0.264 0.000 2.588 517 V HA 0.241 4.361 4.120 0.000 0.000 0.304 517 V C -0.735 175.019 176.094 -0.566 0.000 1.042 517 V CA -0.911 61.041 62.300 -0.581 0.000 0.877 517 V CB 2.009 33.135 31.823 -1.163 0.000 0.996 517 V HN 0.748 nan 8.190 nan 0.000 0.425 518 D N 3.221 123.356 120.400 -0.441 0.000 2.468 518 D HA 0.269 4.909 4.640 0.000 0.000 0.218 518 D C 0.629 176.751 176.300 -0.296 0.000 1.155 518 D CA -0.189 53.649 54.000 -0.270 0.000 0.924 518 D CB 0.467 41.171 40.800 -0.160 0.000 1.029 518 D HN 0.383 nan 8.370 nan 0.000 0.515 519 F N 1.729 121.604 119.950 -0.125 0.000 2.293 519 F HA -0.145 4.382 4.527 0.000 0.000 0.300 519 F C 2.364 178.100 175.800 -0.106 0.000 1.086 519 F CA 0.258 58.192 58.000 -0.110 0.000 1.375 519 F CB -0.193 38.706 39.000 -0.169 0.000 1.045 519 F HN 0.255 nan 8.300 nan 0.000 0.516 520 V N 0.078 120.003 119.914 0.018 0.000 2.261 520 V HA -0.329 3.791 4.120 0.000 0.000 0.246 520 V C 2.611 178.684 176.094 -0.035 0.000 1.047 520 V CA 1.943 64.216 62.300 -0.044 0.000 1.015 520 V CB -1.357 30.429 31.823 -0.063 0.000 0.642 520 V HN 0.358 nan 8.190 nan 0.000 0.446 521 A N -0.472 122.320 122.820 -0.046 0.000 1.902 521 A HA -0.185 4.135 4.320 0.000 0.000 0.217 521 A C 2.176 179.742 177.584 -0.030 0.000 1.181 521 A CA 1.991 54.003 52.037 -0.043 0.000 0.623 521 A CB -0.600 18.363 19.000 -0.061 0.000 0.818 521 A HN 0.435 nan 8.150 nan 0.000 0.443 522 L N -0.172 121.027 121.223 -0.039 0.000 1.989 522 L HA -0.173 4.167 4.340 0.000 0.000 0.211 522 L C 2.826 179.734 176.870 0.063 0.000 1.071 522 L CA 2.252 57.097 54.840 0.008 0.000 0.749 522 L CB -0.663 41.405 42.059 0.015 0.000 0.890 522 L HN 0.378 nan 8.230 nan 0.000 0.431 523 A N -1.072 121.797 122.820 0.081 0.000 1.883 523 A HA -0.293 4.027 4.320 0.000 0.000 0.217 523 A C 2.233 179.839 177.584 0.035 0.000 1.186 523 A CA 2.074 54.153 52.037 0.069 0.000 0.624 523 A CB -0.756 18.257 19.000 0.021 0.000 0.822 523 A HN 0.571 nan 8.150 nan 0.000 0.444 524 E N -0.585 119.624 120.200 0.015 0.000 2.110 524 E HA -0.060 4.290 4.350 0.000 0.000 0.193 524 E C 2.188 178.799 176.600 0.017 0.000 0.988 524 E CA 0.942 57.352 56.400 0.015 0.000 0.804 524 E CB -0.253 29.451 29.700 0.006 0.000 0.745 524 E HN 0.620 nan 8.360 nan 0.000 0.458 525 A N 1.031 123.859 122.820 0.013 0.000 2.019 525 A HA -0.150 4.170 4.320 0.000 0.000 0.219 525 A C 1.669 179.264 177.584 0.018 0.000 1.164 525 A CA 1.129 53.173 52.037 0.011 0.000 0.644 525 A CB -0.244 18.759 19.000 0.004 0.000 0.805 525 A HN 0.181 nan 8.150 nan 0.000 0.449 526 N N -0.752 117.964 118.700 0.028 0.000 2.398 526 N HA 0.109 4.849 4.740 0.000 0.000 0.188 526 N C 0.951 176.481 175.510 0.033 0.000 1.122 526 N CA 0.846 53.914 53.050 0.031 0.000 0.866 526 N CB 0.328 38.839 38.487 0.041 0.000 0.970 526 N HN 0.614 nan 8.380 nan 0.000 0.462 527 G N 0.679 109.498 108.800 0.033 0.000 2.137 527 G HA2 -0.237 3.723 3.960 0.000 0.000 0.237 527 G HA3 -0.237 3.723 3.960 0.000 0.000 0.237 527 G C -0.213 174.715 174.900 0.047 0.000 1.002 527 G CA -0.089 45.033 45.100 0.036 0.000 0.702 527 G HN 0.157 nan 8.290 nan 0.000 0.515 528 V N 1.040 120.984 119.914 0.050 0.000 2.370 528 V HA 0.390 4.511 4.120 0.000 0.000 0.283 528 V C 0.095 176.223 176.094 0.057 0.000 1.023 528 V CA -1.185 61.152 62.300 0.061 0.000 0.857 528 V CB 1.570 33.427 31.823 0.057 0.000 0.985 528 V HN 0.251 nan 8.190 nan 0.000 0.443 529 D N 3.780 124.250 120.400 0.116 0.000 2.455 529 D HA 0.531 5.171 4.640 0.000 0.000 0.241 529 D C 0.230 176.540 176.300 0.017 0.000 1.138 529 D CA 0.729 54.830 54.000 0.169 0.000 0.877 529 D CB 1.379 42.364 40.800 0.308 0.000 1.187 529 D HN 0.861 nan 8.370 nan 0.000 0.451 530 A N 1.332 124.093 122.820 -0.099 0.000 2.593 530 A HA 0.800 5.120 4.320 0.000 0.000 0.290 530 A C -0.503 176.929 177.584 -0.253 0.000 1.126 530 A CA -0.587 51.190 52.037 -0.434 0.000 0.695 530 A CB 2.359 21.200 19.000 -0.265 0.000 1.290 530 A HN 0.436 nan 8.150 nan 0.000 0.414 531 T N -0.680 113.679 114.554 -0.325 0.000 2.786 531 T HA 0.540 4.890 4.350 0.000 0.000 0.316 531 T C -1.382 173.236 174.700 -0.137 0.000 1.503 531 T CA -0.553 61.475 62.100 -0.119 0.000 1.019 531 T CB 1.317 70.215 68.868 0.050 0.000 1.415 531 T HN 0.879 nan 8.240 nan 0.000 0.496 532 R N 1.245 121.700 120.500 -0.075 0.000 2.474 532 R HA 0.819 5.159 4.340 0.000 0.000 0.295 532 R C -1.167 175.096 176.300 -0.060 0.000 0.980 532 R CA -0.491 55.563 56.100 -0.076 0.000 0.934 532 R CB 1.216 31.482 30.300 -0.056 0.000 1.101 532 R HN 0.723 nan 8.270 nan 0.000 0.469 533 A N 1.756 124.530 122.820 -0.076 0.000 2.398 533 A HA 0.366 4.686 4.320 0.000 0.000 0.301 533 A C 0.030 177.570 177.584 -0.072 0.000 1.041 533 A CA -0.610 51.389 52.037 -0.063 0.000 0.711 533 A CB 1.705 20.666 19.000 -0.064 0.000 1.240 533 A HN 0.861 nan 8.150 nan 0.000 0.420 534 T N -1.738 112.782 114.554 -0.057 0.000 3.004 534 T HA 0.276 4.626 4.350 0.000 0.000 0.266 534 T C 0.296 174.966 174.700 -0.050 0.000 0.986 534 T CA 0.510 62.576 62.100 -0.058 0.000 0.902 534 T CB -0.513 68.328 68.868 -0.044 0.000 1.118 534 T HN 0.903 nan 8.240 nan 0.000 0.522 535 N N -0.050 118.624 118.700 -0.043 0.000 2.972 535 N HA 0.440 5.180 4.740 0.000 0.000 0.262 535 N C 0.450 175.939 175.510 -0.035 0.000 1.478 535 N CA -1.178 51.852 53.050 -0.035 0.000 0.841 535 N CB 0.943 39.416 38.487 -0.023 0.000 1.512 535 N HN -0.189 nan 8.380 nan 0.000 0.548 536 R N -0.254 120.229 120.500 -0.028 0.000 2.091 536 R HA -0.147 4.193 4.340 0.000 0.000 0.238 536 R C 1.439 177.728 176.300 -0.018 0.000 1.136 536 R CA 1.815 57.901 56.100 -0.023 0.000 0.959 536 R CB -0.267 30.024 30.300 -0.015 0.000 0.856 536 R HN 0.753 nan 8.270 nan 0.000 0.437 537 E N 0.955 121.146 120.200 -0.016 0.000 2.051 537 E HA -0.217 4.133 4.350 0.000 0.000 0.192 537 E C 1.751 178.344 176.600 -0.011 0.000 0.991 537 E CA 1.294 57.687 56.400 -0.011 0.000 0.799 537 E CB 0.139 29.832 29.700 -0.012 0.000 0.748 537 E HN 0.356 nan 8.360 nan 0.000 0.449 538 E N 0.157 120.348 120.200 -0.015 0.000 2.077 538 E HA -0.203 4.147 4.350 0.000 0.000 0.193 538 E C 2.129 178.721 176.600 -0.014 0.000 0.989 538 E CA 0.854 57.246 56.400 -0.013 0.000 0.800 538 E CB -0.061 29.628 29.700 -0.020 0.000 0.746 538 E HN 0.165 nan 8.360 nan 0.000 0.452 539 L N 0.956 122.163 121.223 -0.027 0.000 2.017 539 L HA -0.166 4.174 4.340 0.000 0.000 0.208 539 L C 2.045 178.903 176.870 -0.021 0.000 1.073 539 L CA 1.522 56.341 54.840 -0.035 0.000 0.745 539 L CB -0.479 41.548 42.059 -0.052 0.000 0.894 539 L HN 0.149 nan 8.230 nan 0.000 0.432 540 L N -0.687 120.529 121.223 -0.011 0.000 2.013 540 L HA -0.262 4.078 4.340 0.000 0.000 0.212 540 L C 2.624 179.496 176.870 0.003 0.000 1.073 540 L CA 1.456 56.297 54.840 0.002 0.000 0.753 540 L CB -0.901 41.162 42.059 0.007 0.000 0.890 540 L HN 0.405 nan 8.230 nan 0.000 0.432 541 A N -0.380 122.440 122.820 0.001 0.000 1.930 541 A HA -0.123 4.197 4.320 0.000 0.000 0.217 541 A C 2.489 180.076 177.584 0.005 0.000 1.175 541 A CA 1.636 53.672 52.037 -0.000 0.000 0.627 541 A CB -0.627 18.372 19.000 -0.000 0.000 0.815 541 A HN 0.420 nan 8.150 nan 0.000 0.443 542 A N -0.310 122.532 122.820 0.036 0.000 1.898 542 A HA 0.041 4.361 4.320 0.000 0.000 0.216 542 A C 2.152 179.801 177.584 0.109 0.000 1.181 542 A CA 1.342 53.457 52.037 0.130 0.000 0.620 542 A CB -0.565 18.520 19.000 0.142 0.000 0.819 542 A HN 0.448 nan 8.150 nan 0.000 0.442 543 L N -0.985 120.241 121.223 0.006 0.000 2.017 543 L HA -0.198 4.142 4.340 0.000 0.000 0.208 543 L C 2.852 179.691 176.870 -0.052 0.000 1.073 543 L CA 1.646 56.434 54.840 -0.086 0.000 0.745 543 L CB -0.419 41.571 42.059 -0.115 0.000 0.894 543 L HN 0.321 nan 8.230 nan 0.000 0.432 544 R N -0.244 120.247 120.500 -0.015 0.000 2.115 544 R HA -0.163 4.177 4.340 0.000 0.000 0.230 544 R C 2.296 178.561 176.300 -0.059 0.000 1.111 544 R CA 1.111 57.209 56.100 -0.003 0.000 0.976 544 R CB -0.197 30.105 30.300 0.004 0.000 0.870 544 R HN 0.280 nan 8.270 nan 0.000 0.445 545 K N 0.356 120.683 120.400 -0.122 0.000 2.002 545 K HA -0.108 4.212 4.320 0.000 0.000 0.209 545 K C 2.109 178.485 176.600 -0.372 0.000 1.048 545 K CA 1.689 57.825 56.287 -0.251 0.000 0.930 545 K CB -0.357 31.946 32.500 -0.329 0.000 0.714 545 K HN 0.219 nan 8.250 nan 0.000 0.438 546 G N 0.396 108.946 108.800 -0.416 0.000 2.440 546 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 546 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 546 G C 1.576 176.440 174.900 -0.060 0.000 1.154 546 G CA 1.028 45.968 45.100 -0.267 0.000 0.767 546 G HN 0.474 nan 8.290 nan 0.000 0.552 547 A N 0.331 123.154 122.820 0.006 0.000 1.969 547 A HA 0.093 4.413 4.320 0.000 0.000 0.218 547 A C 2.074 179.695 177.584 0.062 0.000 1.169 547 A CA 1.825 53.943 52.037 0.134 0.000 0.635 547 A CB -0.168 18.974 19.000 0.235 0.000 0.810 547 A HN 0.396 nan 8.150 nan 0.000 0.445 548 E N -1.229 118.966 120.200 -0.008 0.000 2.474 548 E HA 0.158 4.508 4.350 0.000 0.000 0.195 548 E C 1.417 177.987 176.600 -0.049 0.000 1.039 548 E CA -0.245 56.143 56.400 -0.020 0.000 0.881 548 E CB 0.154 29.835 29.700 -0.030 0.000 0.970 548 E HN 0.434 nan 8.360 nan 0.000 0.486 549 L N -0.291 120.883 121.223 -0.081 0.000 2.156 549 L HA 0.077 4.417 4.340 0.000 0.000 0.208 549 L C 1.593 178.440 176.870 -0.037 0.000 1.095 549 L CA 1.889 56.669 54.840 -0.100 0.000 0.770 549 L CB -0.317 41.639 42.059 -0.171 0.000 0.914 549 L HN 0.276 nan 8.230 nan 0.000 0.439 550 G N -0.524 108.274 108.800 -0.004 0.000 2.168 550 G HA2 -0.313 3.647 3.960 0.000 0.000 0.263 550 G HA3 -0.313 3.647 3.960 0.000 0.000 0.263 550 G C 0.633 175.548 174.900 0.025 0.000 0.977 550 G CA 0.625 45.733 45.100 0.014 0.000 0.659 550 G HN 0.435 nan 8.290 nan 0.000 0.533 551 R N -0.094 120.425 120.500 0.032 0.000 2.836 551 R HA 0.514 4.854 4.340 0.000 0.000 0.269 551 R C -2.614 173.741 176.300 0.092 0.000 1.010 551 R CA -1.914 54.219 56.100 0.055 0.000 0.930 551 R CB 2.252 32.583 30.300 0.052 0.000 1.218 551 R HN 0.048 nan 8.270 nan 0.000 0.473 552 P HA 0.109 nan 4.420 nan 0.000 0.270 552 P C -1.093 176.342 177.300 0.225 0.000 1.223 552 P CA 0.209 63.391 63.100 0.136 0.000 0.785 552 P CB 0.576 32.337 31.700 0.102 0.000 0.923 553 F N 1.297 121.244 119.950 -0.005 0.000 2.641 553 F HA 0.593 5.120 4.527 0.000 0.000 0.308 553 F C -1.791 173.978 175.800 -0.053 0.000 1.105 553 F CA -1.095 56.887 58.000 -0.030 0.000 0.964 553 F CB 1.534 40.506 39.000 -0.048 0.000 1.294 553 F HN 0.185 nan 8.300 nan 0.000 0.442 554 L N 6.120 126.923 121.223 -0.699 0.000 2.408 554 L HA 0.762 5.102 4.340 0.000 0.000 0.268 554 L C -1.733 174.713 176.870 -0.706 0.000 0.986 554 L CA -0.490 54.035 54.840 -0.525 0.000 0.820 554 L CB 1.881 43.766 42.059 -0.291 0.000 1.303 554 L HN 0.594 nan 8.230 nan 0.000 0.411 555 I N 3.786 124.063 120.570 -0.488 0.000 2.447 555 I HA 0.368 4.538 4.170 0.000 0.000 0.287 555 I C -0.614 175.313 176.117 -0.316 0.000 1.023 555 I CA -0.391 60.679 61.300 -0.384 0.000 1.083 555 I CB 1.976 39.809 38.000 -0.278 0.000 1.245 555 I HN 0.588 nan 8.210 nan 0.000 0.434 556 E N 6.108 126.161 120.200 -0.246 0.000 2.197 556 E HA 0.578 4.928 4.350 0.000 0.000 0.281 556 E C -1.565 174.928 176.600 -0.178 0.000 0.995 556 E CA -0.564 55.709 56.400 -0.213 0.000 0.808 556 E CB 1.633 31.272 29.700 -0.102 0.000 1.093 556 E HN 0.369 nan 8.360 nan 0.000 0.394 557 V N 7.172 126.965 119.914 -0.202 0.000 2.482 557 V HA 0.358 4.478 4.120 0.000 0.000 0.295 557 V C -2.283 173.706 176.094 -0.175 0.000 1.026 557 V CA -1.800 60.394 62.300 -0.177 0.000 0.856 557 V CB 1.592 33.297 31.823 -0.196 0.000 1.001 557 V HN 0.727 nan 8.190 nan 0.000 0.424 558 P HA 0.344 nan 4.420 nan 0.000 0.275 558 P C -0.715 176.472 177.300 -0.189 0.000 1.227 558 P CA 0.122 63.143 63.100 -0.132 0.000 0.781 558 P CB 1.642 33.288 31.700 -0.090 0.000 0.906 559 V N 0.234 120.006 119.914 -0.236 0.000 3.160 559 V HA 0.697 4.817 4.120 0.000 0.000 0.310 559 V C -0.852 175.012 176.094 -0.384 0.000 1.181 559 V CA -0.961 61.125 62.300 -0.356 0.000 1.047 559 V CB 2.083 33.608 31.823 -0.496 0.000 1.068 559 V HN 0.485 nan 8.190 nan 0.000 0.441 560 N N -0.959 117.451 118.700 -0.483 0.000 2.525 560 N HA 0.669 5.409 4.740 0.000 0.000 0.270 560 N C -0.995 174.185 175.510 -0.550 0.000 1.321 560 N CA -0.547 52.232 53.050 -0.452 0.000 0.797 560 N CB 2.305 40.647 38.487 -0.243 0.000 1.529 560 N HN 0.752 nan 8.380 nan 0.000 0.491 561 Y N -0.214 119.981 120.300 -0.176 0.000 2.559 561 Y HA 0.245 4.795 4.550 0.000 0.000 0.279 561 Y C 0.245 176.128 175.900 -0.029 0.000 1.117 561 Y CA 0.088 58.150 58.100 -0.064 0.000 1.263 561 Y CB 0.509 38.986 38.460 0.028 0.000 1.230 561 Y HN 0.502 nan 8.280 nan 0.000 0.528 562 D N 0.605 120.968 120.400 -0.062 0.000 2.739 562 D HA -0.174 4.466 4.640 0.000 0.000 0.240 562 D C -1.053 175.384 176.300 0.229 0.000 1.114 562 D CA 0.354 54.385 54.000 0.051 0.000 0.695 562 D CB -1.462 39.401 40.800 0.104 0.000 1.078 562 D HN 0.156 nan 8.370 nan 0.000 0.434 563 F N -0.614 119.518 119.950 0.303 0.000 2.370 563 F HA 0.679 5.206 4.527 0.000 0.000 0.324 563 F C 0.647 176.582 175.800 0.225 0.000 1.116 563 F CA -1.115 57.073 58.000 0.313 0.000 1.123 563 F CB 0.425 39.565 39.000 0.233 0.000 1.238 563 F HN -0.168 nan 8.300 nan 0.000 0.536 564 Q N 2.344 122.451 119.800 0.512 0.000 2.558 564 Q HA 0.342 4.682 4.340 0.000 0.000 0.252 564 Q C -2.057 174.113 176.000 0.284 0.000 1.015 564 Q CA -1.694 54.294 55.803 0.307 0.000 0.720 564 Q CB 1.361 30.230 28.738 0.217 0.000 1.215 564 Q HN 0.371 nan 8.270 nan 0.000 0.500 565 P HA -0.257 nan 4.420 nan 0.000 0.231 565 P C 0.967 178.363 177.300 0.160 0.000 1.150 565 P CA 1.191 64.370 63.100 0.132 0.000 0.769 565 P CB 0.047 31.711 31.700 -0.060 0.000 0.785 566 G N 0.974 109.835 108.800 0.101 0.000 2.587 566 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 566 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 566 G C 1.423 176.291 174.900 -0.053 0.000 1.240 566 G CA 0.802 45.911 45.100 0.016 0.000 0.794 566 G HN 0.439 nan 8.290 nan 0.000 0.580 567 G N -0.771 107.883 108.800 -0.242 0.000 3.424 567 G HA2 0.367 4.327 3.960 0.000 0.000 0.263 567 G HA3 0.367 4.327 3.960 0.000 0.000 0.263 567 G C 0.134 174.748 174.900 -0.478 0.000 1.310 567 G CA -0.463 44.421 45.100 -0.360 0.000 1.089 567 G HN 0.264 nan 8.290 nan 0.000 0.534 568 F N 0.134 120.028 119.950 -0.094 0.000 2.647 568 F HA 0.273 4.800 4.527 0.000 0.000 0.300 568 F C 2.129 177.822 175.800 -0.178 0.000 1.106 568 F CA -0.588 57.312 58.000 -0.166 0.000 1.313 568 F CB 0.779 39.638 39.000 -0.234 0.000 1.007 568 F HN 0.166 nan 8.300 nan 0.000 0.536 569 G N 0.160 108.946 108.800 -0.023 0.000 2.470 569 G HA2 -0.182 3.778 3.960 0.000 0.000 0.220 569 G HA3 -0.182 3.778 3.960 0.000 0.000 0.220 569 G C 1.848 176.713 174.900 -0.059 0.000 1.121 569 G CA 0.832 45.908 45.100 -0.039 0.000 0.766 569 G HN 0.396 nan 8.290 nan 0.000 0.553 570 A N 0.324 123.100 122.820 -0.073 0.000 2.172 570 A HA 0.223 4.543 4.320 0.000 0.000 0.216 570 A C 2.146 179.667 177.584 -0.105 0.000 1.154 570 A CA 0.539 52.528 52.037 -0.081 0.000 0.701 570 A CB -0.212 18.748 19.000 -0.067 0.000 0.789 570 A HN 0.386 nan 8.150 nan 0.000 0.465 571 L N -0.174 120.971 121.223 -0.131 0.000 2.552 571 L HA 0.020 4.360 4.340 0.000 0.000 0.227 571 L C 0.938 177.767 176.870 -0.069 0.000 1.146 571 L CA -0.230 54.519 54.840 -0.151 0.000 0.858 571 L CB -0.320 41.596 42.059 -0.238 0.000 0.969 571 L HN 0.202 nan 8.230 nan 0.000 0.451 572 S N 0.000 115.664 115.700 -0.060 0.000 2.498 572 S HA 0.000 4.470 4.470 0.000 0.000 0.327 572 S CA 0.000 58.174 58.200 -0.044 0.000 1.107 572 S CB 0.000 63.174 63.200 -0.044 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517