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 1k1x_1_B DATA FIRST_RESID 2 DATA SEQUENCE ERINFIFGIH NHQPLGNFGW VFEEAYNRSY RPFMEILEEF PEMKVNVHFS DATA SEQUENCE GPLLEWIEEN KPDYLDLLRS LIKRGQLEIV VAGFYEPVLA AIPKEDRLVQ DATA SEQUENCE IEMLKDYARK LGYDAKGVWL TERVWQPELV KSLREAGIEY VVVDDYHFMS DATA SEQUENCE AGLSKEELFW PYYTEDGGEV ITVFPIDEKL RYLIPFRPVK KTIEYLESLT DATA SEQUENCE SDDPSKVAVF HDDGEKFGVW PGTYEWVYEK GWLREFFDAI TSNEKINLMT DATA SEQUENCE YSEYLSKFTP RGLVYLPIAS YFEMSEWSLP AKQAKLFVEF VEQLKEEGKF DATA SEQUENCE EKYRVFVRGG IWKNFFFKYP ESNFMHKRML MVSKAVRDNP EARKYILKAQ DATA SEQUENCE CNDAYWHGVF GGIYLPHLRR TVWENIIKAQ RYLKPENKIL DVDFDGRAEI DATA SEQUENCE MVENDGFIAT IKPHYGGSIF ELSSKRKAVN YNDVLPRRWE HYHEVXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXQIP EEIRRELAYD WQLRAILQDH FIKPEETLDN DATA SEQUENCE YRLVKYHELG DFVNQPYEYE MIENGVKLWR EGGVYAEEKI PARVEKKIEL DATA SEQUENCE TEDGFIAKYR VLLEKPYKAL FGVEINLAVH SVMEKPEEFE AKEFEVNDPY DATA SEQUENCE GIGKVRIELD KAAKVWKFPI KTLSQSEAGW DFIQQGVSYT MLFPIEKELE DATA SEQUENCE FTVRFREL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.575 176.600 -0.041 0.000 1.382 2 E CA 0.000 56.383 56.400 -0.028 0.000 0.976 2 E CB 0.000 29.680 29.700 -0.033 0.000 0.812 3 R N 1.229 121.704 120.500 -0.043 0.000 2.987 3 R HA 0.753 5.092 4.340 -0.001 0.000 0.248 3 R C -1.124 175.128 176.300 -0.080 0.000 1.264 3 R CA -1.208 54.860 56.100 -0.054 0.000 1.026 3 R CB 1.589 31.872 30.300 -0.027 0.000 1.286 3 R HN 0.405 nan 8.270 nan 0.000 0.483 4 I N 0.604 121.125 120.570 -0.082 0.000 2.607 4 I HA 0.282 4.452 4.170 -0.001 0.000 0.290 4 I C -1.461 174.640 176.117 -0.027 0.000 1.129 4 I CA -0.523 60.713 61.300 -0.106 0.000 1.042 4 I CB 2.067 39.960 38.000 -0.178 0.000 1.242 4 I HN 0.424 nan 8.210 nan 0.000 0.421 5 N N 6.275 124.977 118.700 0.003 0.000 2.529 5 N HA 0.325 5.064 4.740 -0.001 0.000 0.278 5 N C -1.410 174.195 175.510 0.158 0.000 1.146 5 N CA 0.070 53.179 53.050 0.098 0.000 0.980 5 N CB 1.246 39.834 38.487 0.169 0.000 1.124 5 N HN 0.456 nan 8.380 nan 0.000 0.458 6 F N 2.350 122.293 119.950 -0.012 0.000 2.547 6 F HA 0.559 5.085 4.527 -0.001 0.000 0.316 6 F C -1.046 174.747 175.800 -0.012 0.000 1.121 6 F CA -1.046 56.955 58.000 0.002 0.000 0.911 6 F CB 0.923 39.931 39.000 0.015 0.000 1.179 6 F HN 0.293 nan 8.300 nan 0.000 0.443 7 I N 6.796 126.989 120.570 -0.629 0.000 2.436 7 I HA 0.309 4.478 4.170 -0.001 0.000 0.289 7 I C -1.495 174.102 176.117 -0.867 0.000 1.010 7 I CA -0.785 60.090 61.300 -0.709 0.000 1.098 7 I CB 1.799 39.340 38.000 -0.766 0.000 1.266 7 I HN 0.507 nan 8.210 nan 0.000 0.434 8 F N 5.487 124.961 119.950 -0.794 0.000 2.449 8 F HA 0.801 5.328 4.527 -0.001 0.000 0.342 8 F C 0.147 175.751 175.800 -0.327 0.000 1.127 8 F CA -0.291 57.456 58.000 -0.422 0.000 0.975 8 F CB 1.537 40.427 39.000 -0.184 0.000 1.146 8 F HN 0.387 nan 8.300 nan 0.000 0.444 9 G N 6.096 114.351 108.800 -0.909 0.000 2.672 9 G HA2 0.673 4.632 3.960 -0.001 0.000 0.292 9 G HA3 0.673 4.632 3.960 -0.001 0.000 0.292 9 G C -1.754 172.487 174.900 -1.099 0.000 1.375 9 G CA -0.898 43.501 45.100 -1.168 0.000 0.890 9 G HN 0.892 nan 8.290 nan 0.000 0.476 10 I N -1.923 118.217 120.570 -0.718 0.000 2.865 10 I HA 0.736 4.906 4.170 -0.001 0.000 0.302 10 I C -1.494 174.447 176.117 -0.294 0.000 1.140 10 I CA -1.328 59.709 61.300 -0.438 0.000 1.021 10 I CB 2.771 40.407 38.000 -0.606 0.000 1.233 10 I HN 0.576 nan 8.210 nan 0.000 0.427 11 H N 3.785 122.551 119.070 -0.506 0.000 2.708 11 H HA 0.537 5.092 4.556 -0.001 0.000 0.320 11 H C -1.583 173.467 175.328 -0.462 0.000 0.991 11 H CA -0.514 55.121 56.048 -0.688 0.000 1.243 11 H CB 0.942 29.888 29.762 -1.359 0.000 1.446 11 H HN 0.582 nan 8.280 nan 0.000 0.502 12 N N 3.781 121.960 118.700 -0.868 0.000 2.424 12 N HA 0.208 4.947 4.740 -0.001 0.000 0.271 12 N C -1.178 173.930 175.510 -0.670 0.000 0.985 12 N CA -0.434 52.176 53.050 -0.733 0.000 0.921 12 N CB 1.201 39.148 38.487 -0.900 0.000 1.149 12 N HN 0.775 nan 8.380 nan 0.000 0.492 13 H N 0.669 119.411 119.070 -0.547 0.000 3.012 13 H HA 0.487 5.042 4.556 -0.001 0.000 0.367 13 H C -1.699 173.513 175.328 -0.193 0.000 1.211 13 H CA -0.467 55.369 56.048 -0.354 0.000 1.139 13 H CB 1.428 31.019 29.762 -0.285 0.000 1.838 13 H HN 0.227 nan 8.280 nan 0.000 0.550 14 Q N 3.856 122.982 119.800 -1.123 0.000 2.263 14 Q HA 0.335 4.674 4.340 -0.001 0.000 0.262 14 Q C -2.885 172.488 176.000 -1.046 0.000 0.984 14 Q CA -2.253 52.935 55.803 -1.024 0.000 0.813 14 Q CB 2.748 30.829 28.738 -1.096 0.000 1.299 14 Q HN 0.501 nan 8.270 nan 0.000 0.428 15 P HA -0.047 nan 4.420 nan 0.000 0.267 15 P C -0.274 177.040 177.300 0.023 0.000 1.200 15 P CA -0.130 62.881 63.100 -0.149 0.000 0.772 15 P CB 0.785 32.446 31.700 -0.065 0.000 0.855 16 L N 2.419 123.748 121.223 0.177 0.000 2.559 16 L HA 0.046 4.385 4.340 -0.001 0.000 0.274 16 L C 1.547 178.518 176.870 0.168 0.000 1.205 16 L CA 1.456 56.438 54.840 0.235 0.000 0.907 16 L CB -0.778 41.442 42.059 0.268 0.000 1.153 16 L HN 0.900 nan 8.230 nan 0.000 0.490 17 G N 2.602 111.535 108.800 0.223 0.000 2.137 17 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.237 17 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.237 17 G C 0.149 175.167 174.900 0.198 0.000 1.002 17 G CA 0.156 45.370 45.100 0.189 0.000 0.702 17 G HN 0.670 nan 8.290 nan 0.000 0.515 18 N N -0.213 118.639 118.700 0.253 0.000 2.503 18 N HA 0.490 5.229 4.740 -0.001 0.000 0.267 18 N C 0.682 176.314 175.510 0.203 0.000 1.214 18 N CA -0.624 52.470 53.050 0.073 0.000 0.959 18 N CB 0.004 38.349 38.487 -0.236 0.000 1.142 18 N HN 0.165 nan 8.380 nan 0.000 0.455 19 F N 0.551 120.470 119.950 -0.052 0.000 2.623 19 F HA -0.051 4.475 4.527 -0.001 0.000 0.386 19 F C 2.029 177.781 175.800 -0.080 0.000 1.068 19 F CA -0.215 57.664 58.000 -0.203 0.000 1.265 19 F CB 0.379 38.993 39.000 -0.644 0.000 1.026 19 F HN 0.672 nan 8.300 nan 0.000 0.568 20 G N 4.677 113.650 108.800 0.289 0.000 2.475 20 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.220 20 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.220 20 G C 1.310 176.393 174.900 0.306 0.000 1.125 20 G CA 0.631 45.914 45.100 0.305 0.000 0.755 20 G HN 0.974 nan 8.290 nan 0.000 0.565 21 W N 0.595 122.032 121.300 0.229 0.000 2.467 21 W HA 0.074 4.733 4.660 -0.001 0.000 0.275 21 W C 1.466 178.049 176.519 0.108 0.000 1.239 21 W CA 0.764 58.197 57.345 0.148 0.000 1.266 21 W CB -0.952 28.552 29.460 0.073 0.000 1.112 21 W HN 0.079 nan 8.180 nan 0.000 0.576 22 V N 1.439 121.050 119.914 -0.505 0.000 2.358 22 V HA -0.286 3.834 4.120 -0.001 0.000 0.246 22 V C 2.296 178.186 176.094 -0.341 0.000 1.047 22 V CA 1.882 63.850 62.300 -0.552 0.000 1.035 22 V CB -1.160 30.188 31.823 -0.791 0.000 0.658 22 V HN -0.063 nan 8.190 nan 0.000 0.452 23 F N 0.734 120.387 119.950 -0.495 0.000 2.134 23 F HA -0.183 4.344 4.527 -0.001 0.000 0.299 23 F C 2.500 177.889 175.800 -0.684 0.000 1.097 23 F CA 1.996 59.501 58.000 -0.825 0.000 1.264 23 F CB -0.456 37.478 39.000 -1.777 0.000 1.001 23 F HN 0.173 nan 8.300 nan 0.000 0.479 24 E N 0.666 120.810 120.200 -0.093 0.000 2.058 24 E HA -0.251 4.099 4.350 -0.001 0.000 0.194 24 E C 2.102 178.800 176.600 0.163 0.000 0.997 24 E CA 1.766 58.291 56.400 0.209 0.000 0.801 24 E CB -0.329 29.579 29.700 0.347 0.000 0.746 24 E HN 0.494 nan 8.360 nan 0.000 0.450 25 E N -0.505 119.757 120.200 0.104 0.000 2.031 25 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 25 E C 1.953 178.503 176.600 -0.083 0.000 0.994 25 E CA 1.196 57.629 56.400 0.056 0.000 0.800 25 E CB -0.329 29.449 29.700 0.130 0.000 0.752 25 E HN 0.324 nan 8.360 nan 0.000 0.447 26 A N -0.010 122.687 122.820 -0.206 0.000 2.019 26 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 26 A C 1.979 179.122 177.584 -0.735 0.000 1.164 26 A CA 1.369 53.109 52.037 -0.496 0.000 0.644 26 A CB -0.760 17.899 19.000 -0.568 0.000 0.805 26 A HN 0.600 nan 8.150 nan 0.000 0.449 27 Y N 1.228 121.294 120.300 -0.390 0.000 2.184 27 Y HA -0.137 4.412 4.550 -0.001 0.000 0.290 27 Y C 2.125 177.986 175.900 -0.066 0.000 1.129 27 Y CA 2.009 60.037 58.100 -0.120 0.000 1.144 27 Y CB -0.149 38.398 38.460 0.145 0.000 0.995 27 Y HN 0.320 nan 8.280 nan 0.000 0.513 28 N N -0.054 118.601 118.700 -0.075 0.000 2.300 28 N HA -0.082 4.657 4.740 -0.001 0.000 0.179 28 N C 1.489 176.898 175.510 -0.169 0.000 1.016 28 N CA 0.902 53.878 53.050 -0.123 0.000 0.876 28 N CB -0.136 38.362 38.487 0.018 0.000 0.979 28 N HN 0.333 nan 8.380 nan 0.000 0.432 29 R N -0.240 120.163 120.500 -0.162 0.000 2.276 29 R HA 0.199 4.538 4.340 -0.001 0.000 0.196 29 R C 1.446 177.799 176.300 0.089 0.000 0.961 29 R CA 0.241 56.306 56.100 -0.057 0.000 1.024 29 R CB 0.163 30.421 30.300 -0.069 0.000 0.940 29 R HN 0.163 nan 8.270 nan 0.000 0.480 30 S N -1.237 114.403 115.700 -0.100 0.000 4.198 30 S HA 0.099 4.569 4.470 -0.001 0.000 0.202 30 S C 1.545 176.215 174.600 0.118 0.000 1.124 30 S CA -0.417 57.811 58.200 0.046 0.000 1.050 30 S CB -0.528 62.656 63.200 -0.027 0.000 1.401 30 S HN 0.199 nan 8.310 nan 0.000 0.589 31 Y N 2.160 122.481 120.300 0.034 0.000 2.114 31 Y HA -0.131 4.418 4.550 -0.001 0.000 0.282 31 Y C 2.948 178.895 175.900 0.078 0.000 1.165 31 Y CA 1.484 59.627 58.100 0.072 0.000 1.148 31 Y CB -0.288 38.178 38.460 0.010 0.000 0.972 31 Y HN 0.212 nan 8.280 nan 0.000 0.504 32 R N 0.412 120.794 120.500 -0.196 0.000 2.061 32 R HA -0.105 4.234 4.340 -0.001 0.000 0.230 32 R C -0.770 175.553 176.300 0.039 0.000 1.140 32 R CA 1.461 57.442 56.100 -0.199 0.000 0.940 32 R CB -1.638 28.239 30.300 -0.706 0.000 0.839 32 R HN 0.219 nan 8.270 nan 0.000 0.429 33 P HA -0.157 nan 4.420 nan 0.000 0.215 33 P C 1.270 178.616 177.300 0.076 0.000 1.157 33 P CA 1.184 64.149 63.100 -0.226 0.000 0.874 33 P CB -0.342 30.782 31.700 -0.962 0.000 0.790 34 F N -0.306 119.737 119.950 0.154 0.000 2.065 34 F HA -0.268 4.259 4.527 -0.001 0.000 0.298 34 F C 2.101 178.088 175.800 0.310 0.000 1.112 34 F CA 1.844 60.041 58.000 0.328 0.000 1.212 34 F CB -0.526 38.659 39.000 0.309 0.000 0.975 34 F HN -0.214 nan 8.300 nan 0.000 0.476 35 M N 0.060 119.998 119.600 0.563 0.000 2.254 35 M HA -0.137 4.342 4.480 -0.001 0.000 0.265 35 M C 1.982 178.425 176.300 0.239 0.000 1.066 35 M CA 1.344 56.893 55.300 0.415 0.000 1.123 35 M CB -1.257 31.592 32.600 0.414 0.000 1.388 35 M HN 0.308 nan 8.290 nan 0.000 0.425 36 E N 0.382 120.706 120.200 0.207 0.000 2.051 36 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 36 E C 2.081 178.762 176.600 0.135 0.000 0.991 36 E CA 1.085 57.570 56.400 0.142 0.000 0.799 36 E CB -0.096 29.668 29.700 0.106 0.000 0.748 36 E HN 0.459 nan 8.360 nan 0.000 0.449 37 I N 0.894 121.551 120.570 0.146 0.000 2.315 37 I HA -0.218 3.951 4.170 -0.001 0.000 0.248 37 I C 2.448 178.768 176.117 0.337 0.000 1.117 37 I CA 0.318 61.732 61.300 0.190 0.000 1.404 37 I CB -0.080 37.976 38.000 0.093 0.000 1.071 37 I HN 0.138 nan 8.210 nan 0.000 0.419 38 L N 1.034 122.429 121.223 0.286 0.000 2.079 38 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 38 L C 2.415 179.398 176.870 0.188 0.000 1.081 38 L CA 1.919 56.923 54.840 0.273 0.000 0.752 38 L CB -0.883 41.260 42.059 0.139 0.000 0.896 38 L HN 0.211 nan 8.230 nan 0.000 0.433 39 E N 0.319 120.606 120.200 0.146 0.000 2.204 39 E HA -0.249 4.100 4.350 -0.001 0.000 0.195 39 E C 1.828 178.449 176.600 0.034 0.000 0.990 39 E CA 1.432 57.879 56.400 0.078 0.000 0.821 39 E CB -0.012 29.727 29.700 0.065 0.000 0.750 39 E HN 0.740 nan 8.360 nan 0.000 0.477 40 E N -1.024 119.201 120.200 0.041 0.000 2.274 40 E HA -0.082 4.268 4.350 -0.001 0.000 0.194 40 E C -0.138 176.195 176.600 -0.446 0.000 0.996 40 E CA 0.293 56.568 56.400 -0.209 0.000 0.840 40 E CB 0.012 29.527 29.700 -0.308 0.000 0.772 40 E HN 0.129 nan 8.360 nan 0.000 0.491 41 F N 0.221 120.163 119.950 -0.012 0.000 2.363 41 F HA 0.289 4.816 4.527 -0.001 0.000 0.366 41 F C -1.974 173.764 175.800 -0.103 0.000 1.083 41 F CA -2.678 55.285 58.000 -0.061 0.000 1.176 41 F CB 1.420 40.377 39.000 -0.070 0.000 1.432 41 F HN -0.159 nan 8.300 nan 0.000 0.482 42 P HA -0.191 nan 4.420 nan 0.000 0.220 42 P C 1.020 178.312 177.300 -0.015 0.000 1.144 42 P CA 1.537 64.633 63.100 -0.006 0.000 0.800 42 P CB 0.259 31.945 31.700 -0.023 0.000 0.772 43 E N -1.849 118.346 120.200 -0.008 0.000 2.299 43 E HA -0.001 4.349 4.350 -0.001 0.000 0.193 43 E C 0.712 177.252 176.600 -0.099 0.000 0.998 43 E CA -0.027 56.349 56.400 -0.040 0.000 0.851 43 E CB -0.203 29.478 29.700 -0.031 0.000 0.795 43 E HN 0.163 nan 8.360 nan 0.000 0.492 44 M N 2.196 121.702 119.600 -0.157 0.000 2.246 44 M HA 0.037 4.517 4.480 -0.001 0.000 0.350 44 M C -0.783 175.360 176.300 -0.261 0.000 1.406 44 M CA 0.548 55.645 55.300 -0.338 0.000 1.089 44 M CB 0.222 32.405 32.600 -0.695 0.000 1.782 44 M HN -0.319 nan 8.290 nan 0.000 0.457 45 K N 4.029 124.297 120.400 -0.220 0.000 2.244 45 K HA 0.720 5.040 4.320 -0.001 0.000 0.260 45 K C -1.418 175.120 176.600 -0.103 0.000 0.951 45 K CA -0.860 55.349 56.287 -0.130 0.000 0.826 45 K CB 1.780 34.226 32.500 -0.091 0.000 1.108 45 K HN 0.495 nan 8.250 nan 0.000 0.433 46 V N 2.545 122.436 119.914 -0.037 0.000 2.709 46 V HA 0.280 4.399 4.120 -0.001 0.000 0.308 46 V C -0.775 175.304 176.094 -0.025 0.000 1.062 46 V CA -1.123 61.215 62.300 0.063 0.000 0.901 46 V CB 2.025 33.988 31.823 0.232 0.000 1.003 46 V HN 0.763 nan 8.190 nan 0.000 0.425 47 N N 2.607 121.243 118.700 -0.108 0.000 2.469 47 N HA 0.505 5.245 4.740 -0.001 0.000 0.253 47 N C -1.091 174.358 175.510 -0.101 0.000 0.970 47 N CA -0.107 52.900 53.050 -0.071 0.000 0.940 47 N CB 2.572 41.048 38.487 -0.018 0.000 1.128 47 N HN 0.449 nan 8.380 nan 0.000 0.503 48 V N 2.849 122.733 119.914 -0.049 0.000 2.680 48 V HA 0.326 4.445 4.120 -0.001 0.000 0.309 48 V C -0.789 175.266 176.094 -0.064 0.000 1.052 48 V CA -0.686 61.522 62.300 -0.152 0.000 0.908 48 V CB 2.062 33.705 31.823 -0.300 0.000 1.001 48 V HN 0.732 nan 8.190 nan 0.000 0.431 49 H N 6.215 125.127 119.070 -0.264 0.000 2.539 49 H HA 0.452 5.007 4.556 -0.001 0.000 0.332 49 H C -1.961 173.134 175.328 -0.388 0.000 1.031 49 H CA -0.534 55.403 56.048 -0.185 0.000 1.206 49 H CB 1.283 30.974 29.762 -0.119 0.000 1.446 49 H HN 0.577 nan 8.280 nan 0.000 0.496 50 F N 2.887 122.456 119.950 -0.635 0.000 2.436 50 F HA 0.163 4.689 4.527 -0.001 0.000 0.340 50 F C 0.828 176.130 175.800 -0.830 0.000 1.113 50 F CA -0.652 56.962 58.000 -0.643 0.000 1.022 50 F CB 1.847 40.648 39.000 -0.333 0.000 1.128 50 F HN 0.499 nan 8.300 nan 0.000 0.466 51 S N 1.553 116.938 115.700 -0.525 0.000 2.603 51 S HA 0.350 4.820 4.470 -0.001 0.000 0.268 51 S C 1.263 175.615 174.600 -0.415 0.000 1.317 51 S CA -0.276 57.738 58.200 -0.310 0.000 1.012 51 S CB 1.408 64.659 63.200 0.086 0.000 0.926 51 S HN 0.861 nan 8.310 nan 0.000 0.539 52 G N 1.783 110.137 108.800 -0.743 0.000 2.476 52 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.218 52 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.218 52 G C -1.045 173.354 174.900 -0.834 0.000 1.164 52 G CA 0.852 44.977 45.100 -1.626 0.000 0.768 52 G HN 0.665 nan 8.290 nan 0.000 0.560 53 P HA -0.094 nan 4.420 nan 0.000 0.215 53 P C 2.114 179.483 177.300 0.115 0.000 1.157 53 P CA 0.598 63.712 63.100 0.024 0.000 0.868 53 P CB -0.122 31.683 31.700 0.175 0.000 0.788 54 L N -1.135 120.125 121.223 0.061 0.000 2.046 54 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 54 L C 2.256 179.183 176.870 0.096 0.000 1.077 54 L CA 1.596 56.523 54.840 0.145 0.000 0.747 54 L CB -0.687 41.344 42.059 -0.047 0.000 0.896 54 L HN -0.031 nan 8.230 nan 0.000 0.432 55 L N -0.563 120.583 121.223 -0.127 0.000 2.083 55 L HA -0.243 4.097 4.340 -0.001 0.000 0.209 55 L C 2.452 179.290 176.870 -0.054 0.000 1.083 55 L CA 1.259 55.969 54.840 -0.216 0.000 0.752 55 L CB -0.417 41.253 42.059 -0.649 0.000 0.899 55 L HN 0.325 nan 8.230 nan 0.000 0.433 56 E N -0.948 119.250 120.200 -0.004 0.000 2.072 56 E HA -0.267 4.083 4.350 -0.001 0.000 0.191 56 E C 1.903 178.555 176.600 0.086 0.000 0.985 56 E CA 1.440 57.905 56.400 0.108 0.000 0.801 56 E CB -0.170 29.630 29.700 0.166 0.000 0.750 56 E HN 0.505 nan 8.360 nan 0.000 0.452 57 W N 1.375 122.611 121.300 -0.107 0.000 2.379 57 W HA -0.131 4.528 4.660 -0.001 0.000 0.307 57 W C 1.812 178.251 176.519 -0.134 0.000 1.200 57 W CA 1.313 58.537 57.345 -0.203 0.000 1.297 57 W CB -0.152 29.077 29.460 -0.385 0.000 1.140 57 W HN -0.063 nan 8.180 nan 0.000 0.507 58 I N 0.429 121.112 120.570 0.188 0.000 2.179 58 I HA -0.325 3.845 4.170 -0.001 0.000 0.242 58 I C 2.430 178.479 176.117 -0.114 0.000 1.088 58 I CA 2.088 63.396 61.300 0.012 0.000 1.357 58 I CB -0.808 37.275 38.000 0.138 0.000 1.051 58 I HN 0.083 nan 8.210 nan 0.000 0.409 59 E N 0.732 120.927 120.200 -0.009 0.000 2.204 59 E HA -0.295 4.054 4.350 -0.001 0.000 0.195 59 E C 1.935 178.481 176.600 -0.090 0.000 0.990 59 E CA 1.360 57.767 56.400 0.012 0.000 0.821 59 E CB 0.172 29.950 29.700 0.130 0.000 0.750 59 E HN 0.385 nan 8.360 nan 0.000 0.477 60 E N 0.176 120.260 120.200 -0.195 0.000 2.102 60 E HA -0.021 4.328 4.350 -0.001 0.000 0.190 60 E C 1.527 177.900 176.600 -0.378 0.000 0.971 60 E CA 1.159 57.410 56.400 -0.249 0.000 0.821 60 E CB 0.095 29.644 29.700 -0.252 0.000 0.777 60 E HN 0.200 nan 8.360 nan 0.000 0.460 61 N N -0.414 117.886 118.700 -0.668 0.000 2.432 61 N HA 0.029 4.769 4.740 -0.001 0.000 0.174 61 N C -0.004 175.167 175.510 -0.565 0.000 1.037 61 N CA 0.488 53.079 53.050 -0.765 0.000 0.892 61 N CB 0.438 38.035 38.487 -1.483 0.000 1.049 61 N HN -0.093 nan 8.380 nan 0.000 0.442 62 K N 0.591 120.685 120.400 -0.511 0.000 3.206 62 K HA 0.235 4.554 4.320 -0.001 0.000 0.180 62 K C -1.962 174.597 176.600 -0.068 0.000 1.088 62 K CA -1.350 54.765 56.287 -0.288 0.000 0.872 62 K CB 1.588 33.804 32.500 -0.474 0.000 0.976 62 K HN -0.027 nan 8.250 nan 0.000 0.564 63 P HA -0.193 nan 4.420 nan 0.000 0.220 63 P C -0.045 177.293 177.300 0.064 0.000 1.144 63 P CA 1.266 64.371 63.100 0.008 0.000 0.800 63 P CB 0.454 32.142 31.700 -0.021 0.000 0.772 64 D N -1.547 118.903 120.400 0.084 0.000 2.219 64 D HA -0.159 4.480 4.640 -0.001 0.000 0.205 64 D C 1.846 178.251 176.300 0.176 0.000 0.970 64 D CA 0.712 54.778 54.000 0.111 0.000 0.851 64 D CB -0.981 39.887 40.800 0.113 0.000 0.943 64 D HN 0.180 nan 8.370 nan 0.000 0.488 65 Y N 1.279 121.642 120.300 0.105 0.000 2.181 65 Y HA -0.153 4.397 4.550 -0.001 0.000 0.288 65 Y C 1.774 177.724 175.900 0.083 0.000 1.146 65 Y CA 1.294 59.487 58.100 0.155 0.000 1.164 65 Y CB -0.256 38.352 38.460 0.247 0.000 0.982 65 Y HN -0.034 nan 8.280 nan 0.000 0.515 66 L N -0.459 120.828 121.223 0.107 0.000 2.191 66 L HA -0.212 4.128 4.340 -0.001 0.000 0.212 66 L C 1.947 178.801 176.870 -0.026 0.000 1.103 66 L CA 1.354 56.197 54.840 0.003 0.000 0.769 66 L CB -0.617 41.477 42.059 0.058 0.000 0.908 66 L HN 0.213 nan 8.230 nan 0.000 0.438 67 D N 0.299 120.701 120.400 0.003 0.000 2.144 67 D HA -0.144 4.495 4.640 -0.001 0.000 0.200 67 D C 2.150 178.440 176.300 -0.015 0.000 0.978 67 D CA 0.992 54.993 54.000 0.002 0.000 0.833 67 D CB 0.080 40.892 40.800 0.021 0.000 0.961 67 D HN 0.188 nan 8.370 nan 0.000 0.470 68 L N 1.089 122.290 121.223 -0.037 0.000 2.017 68 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 68 L C 2.240 179.061 176.870 -0.082 0.000 1.073 68 L CA 1.359 56.167 54.840 -0.052 0.000 0.745 68 L CB -0.675 41.346 42.059 -0.064 0.000 0.894 68 L HN -0.031 nan 8.230 nan 0.000 0.432 69 L N -0.811 120.312 121.223 -0.167 0.000 2.042 69 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 69 L C 2.776 179.634 176.870 -0.020 0.000 1.076 69 L CA 1.351 56.123 54.840 -0.112 0.000 0.749 69 L CB -0.665 41.291 42.059 -0.171 0.000 0.893 69 L HN 0.261 nan 8.230 nan 0.000 0.432 70 R N -0.380 120.111 120.500 -0.015 0.000 2.091 70 R HA -0.134 4.206 4.340 -0.001 0.000 0.238 70 R C 2.517 178.832 176.300 0.026 0.000 1.136 70 R CA 1.683 57.793 56.100 0.017 0.000 0.959 70 R CB -0.409 29.897 30.300 0.010 0.000 0.856 70 R HN 0.317 nan 8.270 nan 0.000 0.437 71 S N 1.225 116.933 115.700 0.014 0.000 2.345 71 S HA -0.048 4.422 4.470 -0.001 0.000 0.220 71 S C 2.030 176.646 174.600 0.027 0.000 1.031 71 S CA 0.929 59.140 58.200 0.019 0.000 0.996 71 S CB -0.200 63.008 63.200 0.014 0.000 0.882 71 S HN 0.203 nan 8.310 nan 0.000 0.445 72 L N 1.007 122.244 121.223 0.025 0.000 2.127 72 L HA -0.131 4.209 4.340 -0.001 0.000 0.211 72 L C 2.158 179.055 176.870 0.044 0.000 1.089 72 L CA 1.120 55.980 54.840 0.033 0.000 0.757 72 L CB -0.647 41.437 42.059 0.041 0.000 0.899 72 L HN 0.312 nan 8.230 nan 0.000 0.434 73 I N -0.327 120.278 120.570 0.057 0.000 2.286 73 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 73 I C 2.635 178.816 176.117 0.107 0.000 1.104 73 I CA 1.150 62.507 61.300 0.095 0.000 1.397 73 I CB -0.224 37.855 38.000 0.131 0.000 1.072 73 I HN 0.186 nan 8.210 nan 0.000 0.417 74 K N 1.669 122.115 120.400 0.077 0.000 2.209 74 K HA -0.138 4.182 4.320 -0.001 0.000 0.204 74 K C 1.753 178.384 176.600 0.052 0.000 1.048 74 K CA 1.008 57.333 56.287 0.064 0.000 0.940 74 K CB 0.060 32.586 32.500 0.044 0.000 0.729 74 K HN 0.349 nan 8.250 nan 0.000 0.451 75 R N -0.914 119.612 120.500 0.044 0.000 2.480 75 R HA 0.184 4.524 4.340 -0.001 0.000 0.277 75 R C 0.655 176.975 176.300 0.034 0.000 1.008 75 R CA 0.481 56.600 56.100 0.031 0.000 1.090 75 R CB 0.044 30.356 30.300 0.019 0.000 1.234 75 R HN 0.158 nan 8.270 nan 0.000 0.549 76 G N 1.225 110.058 108.800 0.055 0.000 2.187 76 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.261 76 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.261 76 G C 0.642 175.561 174.900 0.033 0.000 1.000 76 G CA 0.691 45.828 45.100 0.061 0.000 0.718 76 G HN 0.552 nan 8.290 nan 0.000 0.519 77 Q N -1.274 118.538 119.800 0.020 0.000 2.408 77 Q HA 0.409 4.749 4.340 -0.001 0.000 0.205 77 Q C 0.899 176.895 176.000 -0.007 0.000 0.919 77 Q CA 0.454 56.252 55.803 -0.007 0.000 0.932 77 Q CB 0.443 29.176 28.738 -0.009 0.000 1.058 77 Q HN 0.584 nan 8.270 nan 0.000 0.517 78 L N 0.777 122.000 121.223 -0.001 0.000 2.408 78 L HA 0.407 4.746 4.340 -0.001 0.000 0.268 78 L C -0.861 175.898 176.870 -0.184 0.000 0.986 78 L CA -0.696 54.120 54.840 -0.040 0.000 0.820 78 L CB 2.328 44.392 42.059 0.007 0.000 1.303 78 L HN -0.028 nan 8.230 nan 0.000 0.411 79 E N 3.923 123.965 120.200 -0.265 0.000 2.158 79 E HA 0.430 4.779 4.350 -0.001 0.000 0.271 79 E C -1.201 175.115 176.600 -0.473 0.000 0.911 79 E CA -0.686 55.336 56.400 -0.632 0.000 0.767 79 E CB 1.434 31.024 29.700 -0.182 0.000 1.120 79 E HN 0.324 nan 8.360 nan 0.000 0.405 80 I N 5.074 125.209 120.570 -0.726 0.000 2.325 80 I HA 0.196 4.366 4.170 -0.001 0.000 0.291 80 I C -0.244 175.931 176.117 0.096 0.000 1.019 80 I CA -0.652 60.586 61.300 -0.103 0.000 1.302 80 I CB 0.980 39.038 38.000 0.096 0.000 1.401 80 I HN 0.457 nan 8.210 nan 0.000 0.485 81 V N 7.703 127.724 119.914 0.179 0.000 2.472 81 V HA 0.463 4.583 4.120 -0.001 0.000 0.290 81 V C 0.510 176.766 176.094 0.269 0.000 1.037 81 V CA -0.561 61.871 62.300 0.220 0.000 0.908 81 V CB 2.285 34.271 31.823 0.271 0.000 0.985 81 V HN 0.476 nan 8.190 nan 0.000 0.454 82 V N 2.800 122.816 119.914 0.170 0.000 3.369 82 V HA 1.042 5.162 4.120 -0.001 0.000 0.301 82 V C 0.468 176.588 176.094 0.043 0.000 1.184 82 V CA 0.442 62.854 62.300 0.187 0.000 1.013 82 V CB 1.815 33.729 31.823 0.151 0.000 1.230 82 V HN 1.222 nan 8.190 nan 0.000 0.464 83 A N -0.382 122.485 122.820 0.077 0.000 3.168 83 A HA 0.657 4.977 4.320 -0.001 0.000 0.286 83 A C -0.138 177.504 177.584 0.098 0.000 1.026 83 A CA 0.010 52.055 52.037 0.015 0.000 0.563 83 A CB 0.108 19.063 19.000 -0.074 0.000 1.586 83 A HN 1.440 nan 8.150 nan 0.000 0.741 84 G N -0.650 108.207 108.800 0.096 0.000 2.355 84 G HA2 0.455 4.414 3.960 -0.001 0.000 0.276 84 G HA3 0.455 4.414 3.960 -0.001 0.000 0.276 84 G C 0.466 175.478 174.900 0.186 0.000 1.198 84 G CA 0.347 45.535 45.100 0.146 0.000 0.876 84 G HN 1.085 nan 8.290 nan 0.000 0.478 85 F N 2.712 122.697 119.950 0.057 0.000 2.063 85 F HA -0.258 4.269 4.527 -0.001 0.000 0.297 85 F C 1.644 177.324 175.800 -0.201 0.000 1.099 85 F CA 1.785 59.727 58.000 -0.096 0.000 1.220 85 F CB -0.015 38.858 39.000 -0.212 0.000 0.972 85 F HN 0.545 nan 8.300 nan 0.000 0.487 86 Y N 0.324 120.786 120.300 0.269 0.000 2.537 86 Y HA 0.227 4.776 4.550 -0.001 0.000 0.303 86 Y C 0.727 176.725 175.900 0.162 0.000 1.176 86 Y CA 0.287 58.505 58.100 0.196 0.000 1.273 86 Y CB -0.677 37.942 38.460 0.264 0.000 1.110 86 Y HN 0.110 nan 8.280 nan 0.000 0.518 87 E N 0.246 120.555 120.200 0.181 0.000 2.320 87 E HA -0.186 4.163 4.350 -0.001 0.000 0.234 87 E C -2.766 173.916 176.600 0.136 0.000 1.183 87 E CA -0.012 56.462 56.400 0.123 0.000 0.713 87 E CB -0.727 28.971 29.700 -0.003 0.000 1.226 87 E HN 0.290 nan 8.360 nan 0.000 0.382 88 P HA 0.170 nan 4.420 nan 0.000 0.282 88 P C -0.269 177.012 177.300 -0.031 0.000 1.259 88 P CA -0.553 62.613 63.100 0.109 0.000 0.826 88 P CB 1.331 33.109 31.700 0.131 0.000 1.064 89 V N 4.160 123.983 119.914 -0.152 0.000 2.397 89 V HA -0.064 4.056 4.120 -0.001 0.000 0.262 89 V C 2.003 177.969 176.094 -0.213 0.000 1.047 89 V CA 0.100 62.174 62.300 -0.377 0.000 1.003 89 V CB -0.216 31.043 31.823 -0.939 0.000 1.037 89 V HN 0.470 nan 8.190 nan 0.000 0.480 90 L N 5.510 126.635 121.223 -0.162 0.000 2.064 90 L HA -0.222 4.117 4.340 -0.001 0.000 0.216 90 L C 2.462 179.271 176.870 -0.101 0.000 1.077 90 L CA 2.536 57.314 54.840 -0.104 0.000 0.766 90 L CB -1.023 40.968 42.059 -0.113 0.000 0.890 90 L HN 0.741 nan 8.230 nan 0.000 0.435 91 A N -1.569 121.161 122.820 -0.150 0.000 2.216 91 A HA 0.157 4.476 4.320 -0.001 0.000 0.214 91 A C 2.059 179.648 177.584 0.009 0.000 1.160 91 A CA 1.161 53.134 52.037 -0.107 0.000 0.725 91 A CB -0.593 18.314 19.000 -0.155 0.000 0.784 91 A HN 0.359 nan 8.150 nan 0.000 0.472 92 A N -0.312 122.532 122.820 0.040 0.000 2.387 92 A HA 0.551 4.870 4.320 -0.001 0.000 0.234 92 A C 0.631 178.366 177.584 0.253 0.000 1.253 92 A CA 0.035 52.208 52.037 0.226 0.000 0.894 92 A CB -0.467 18.731 19.000 0.331 0.000 0.963 92 A HN 0.787 nan 8.150 nan 0.000 0.508 93 I N -4.515 116.121 120.570 0.111 0.000 2.934 93 I HA 0.643 4.813 4.170 -0.001 0.000 0.306 93 I C -3.172 172.966 176.117 0.034 0.000 1.110 93 I CA -3.119 58.220 61.300 0.065 0.000 1.019 93 I CB 1.739 39.765 38.000 0.044 0.000 1.227 93 I HN -0.241 nan 8.210 nan 0.000 0.434 94 P HA 0.038 nan 4.420 nan 0.000 0.266 94 P C -0.031 177.271 177.300 0.003 0.000 1.193 94 P CA -0.148 62.956 63.100 0.005 0.000 0.770 94 P CB 0.521 32.217 31.700 -0.007 0.000 0.836 95 K N 1.721 122.120 120.400 -0.002 0.000 2.209 95 K HA -0.203 4.116 4.320 -0.001 0.000 0.204 95 K C 1.064 177.663 176.600 -0.001 0.000 1.048 95 K CA 1.599 57.881 56.287 -0.008 0.000 0.940 95 K CB -0.313 32.179 32.500 -0.014 0.000 0.729 95 K HN 0.228 nan 8.250 nan 0.000 0.451 96 E N 1.553 121.754 120.200 0.000 0.000 2.072 96 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 96 E C 1.597 178.203 176.600 0.010 0.000 0.985 96 E CA 1.538 57.940 56.400 0.003 0.000 0.801 96 E CB -0.157 29.543 29.700 -0.001 0.000 0.750 96 E HN 0.365 nan 8.360 nan 0.000 0.452 97 D N 0.035 120.443 120.400 0.013 0.000 2.178 97 D HA -0.068 4.571 4.640 -0.001 0.000 0.202 97 D C 1.783 178.109 176.300 0.043 0.000 0.974 97 D CA 0.623 54.639 54.000 0.028 0.000 0.841 97 D CB -0.119 40.696 40.800 0.025 0.000 0.953 97 D HN 0.090 nan 8.370 nan 0.000 0.478 98 R N 0.163 120.680 120.500 0.029 0.000 2.091 98 R HA -0.070 4.270 4.340 -0.001 0.000 0.238 98 R C 2.425 178.747 176.300 0.037 0.000 1.136 98 R CA 0.581 56.698 56.100 0.028 0.000 0.959 98 R CB -0.399 29.901 30.300 0.000 0.000 0.856 98 R HN 0.197 nan 8.270 nan 0.000 0.437 99 L N 0.175 121.415 121.223 0.028 0.000 1.976 99 L HA -0.213 4.127 4.340 -0.001 0.000 0.209 99 L C 2.276 179.172 176.870 0.044 0.000 1.071 99 L CA 1.303 56.161 54.840 0.030 0.000 0.746 99 L CB -0.244 41.827 42.059 0.020 0.000 0.890 99 L HN 0.041 nan 8.230 nan 0.000 0.432 100 V N -0.799 119.142 119.914 0.044 0.000 2.343 100 V HA -0.296 3.824 4.120 -0.001 0.000 0.247 100 V C 2.512 178.656 176.094 0.084 0.000 1.051 100 V CA 1.526 63.856 62.300 0.049 0.000 1.036 100 V CB -0.657 31.188 31.823 0.037 0.000 0.654 100 V HN 0.497 nan 8.190 nan 0.000 0.451 101 Q N -0.358 119.511 119.800 0.116 0.000 2.077 101 Q HA -0.189 4.151 4.340 -0.001 0.000 0.206 101 Q C 2.276 178.386 176.000 0.183 0.000 0.989 101 Q CA 2.023 57.938 55.803 0.186 0.000 0.853 101 Q CB -0.317 28.529 28.738 0.180 0.000 0.907 101 Q HN 0.618 nan 8.270 nan 0.000 0.418 102 I N 0.253 120.899 120.570 0.125 0.000 2.333 102 I HA -0.206 3.964 4.170 -0.001 0.000 0.246 102 I C 2.361 178.551 176.117 0.122 0.000 1.106 102 I CA 0.821 62.192 61.300 0.118 0.000 1.411 102 I CB -0.219 37.823 38.000 0.070 0.000 1.082 102 I HN 0.123 nan 8.210 nan 0.000 0.420 103 E N 1.358 121.612 120.200 0.091 0.000 2.118 103 E HA -0.234 4.115 4.350 -0.001 0.000 0.195 103 E C 2.188 178.842 176.600 0.090 0.000 0.992 103 E CA 1.646 58.093 56.400 0.078 0.000 0.804 103 E CB -0.184 29.545 29.700 0.049 0.000 0.741 103 E HN 0.331 nan 8.360 nan 0.000 0.458 104 M N -0.760 118.891 119.600 0.086 0.000 2.086 104 M HA -0.156 4.323 4.480 -0.001 0.000 0.261 104 M C 2.005 178.424 176.300 0.198 0.000 1.067 104 M CA 1.221 56.539 55.300 0.031 0.000 1.116 104 M CB -0.235 32.285 32.600 -0.132 0.000 1.348 104 M HN 0.229 nan 8.290 nan 0.000 0.407 105 L N 0.126 121.572 121.223 0.372 0.000 2.291 105 L HA -0.088 4.251 4.340 -0.001 0.000 0.214 105 L C 2.107 179.173 176.870 0.326 0.000 1.120 105 L CA 1.730 56.846 54.840 0.460 0.000 0.799 105 L CB -0.546 41.724 42.059 0.352 0.000 0.925 105 L HN 0.131 nan 8.230 nan 0.000 0.446 106 K N -0.797 119.742 120.400 0.232 0.000 2.062 106 K HA -0.186 4.133 4.320 -0.001 0.000 0.205 106 K C 1.967 178.674 176.600 0.178 0.000 1.051 106 K CA 1.449 57.848 56.287 0.187 0.000 0.941 106 K CB -0.164 32.413 32.500 0.128 0.000 0.719 106 K HN 0.408 nan 8.250 nan 0.000 0.440 107 D N -0.609 119.887 120.400 0.159 0.000 2.149 107 D HA -0.185 4.455 4.640 -0.001 0.000 0.201 107 D C 1.678 178.061 176.300 0.138 0.000 0.972 107 D CA 0.882 54.949 54.000 0.112 0.000 0.835 107 D CB 0.056 40.896 40.800 0.067 0.000 0.966 107 D HN 0.279 nan 8.370 nan 0.000 0.476 108 Y N 1.117 121.490 120.300 0.121 0.000 2.242 108 Y HA -0.095 4.454 4.550 -0.001 0.000 0.291 108 Y C 2.355 178.336 175.900 0.136 0.000 1.137 108 Y CA 1.728 59.914 58.100 0.143 0.000 1.181 108 Y CB -0.121 38.491 38.460 0.254 0.000 0.989 108 Y HN 0.027 nan 8.280 nan 0.000 0.527 109 A N 0.137 123.180 122.820 0.371 0.000 1.969 109 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 109 A C 2.256 179.969 177.584 0.213 0.000 1.169 109 A CA 1.566 53.792 52.037 0.316 0.000 0.635 109 A CB -0.638 18.558 19.000 0.327 0.000 0.810 109 A HN 0.501 nan 8.150 nan 0.000 0.445 110 R N -0.111 120.475 120.500 0.143 0.000 2.092 110 R HA -0.074 4.266 4.340 -0.001 0.000 0.231 110 R C 1.906 178.224 176.300 0.030 0.000 1.119 110 R CA 1.505 57.652 56.100 0.079 0.000 0.970 110 R CB -0.170 30.160 30.300 0.050 0.000 0.864 110 R HN 0.499 nan 8.270 nan 0.000 0.440 111 K N 0.152 120.534 120.400 -0.030 0.000 2.209 111 K HA -0.097 4.222 4.320 -0.001 0.000 0.204 111 K C 1.785 178.343 176.600 -0.069 0.000 1.048 111 K CA 0.946 57.170 56.287 -0.105 0.000 0.940 111 K CB 0.042 32.377 32.500 -0.275 0.000 0.729 111 K HN 0.247 nan 8.250 nan 0.000 0.451 112 L N -0.800 120.419 121.223 -0.006 0.000 2.492 112 L HA 0.065 4.404 4.340 -0.001 0.000 0.223 112 L C 1.165 178.084 176.870 0.081 0.000 1.132 112 L CA 0.570 55.437 54.840 0.044 0.000 0.850 112 L CB 0.109 42.236 42.059 0.112 0.000 0.966 112 L HN 0.474 nan 8.230 nan 0.000 0.454 113 G N -1.039 107.818 108.800 0.095 0.000 2.154 113 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.186 113 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.186 113 G C -0.327 174.675 174.900 0.170 0.000 1.000 113 G CA -0.544 44.618 45.100 0.103 0.000 0.664 113 G HN 0.210 nan 8.290 nan 0.000 0.513 114 Y N 1.074 121.416 120.300 0.071 0.000 2.409 114 Y HA 0.600 5.149 4.550 -0.001 0.000 0.343 114 Y C -0.835 175.121 175.900 0.093 0.000 0.973 114 Y CA -1.343 56.810 58.100 0.089 0.000 1.064 114 Y CB 2.126 40.655 38.460 0.115 0.000 1.207 114 Y HN 0.033 nan 8.280 nan 0.000 0.452 115 D N 4.837 124.943 120.400 -0.491 0.000 2.468 115 D HA 0.343 4.982 4.640 -0.001 0.000 0.218 115 D C -0.502 175.699 176.300 -0.165 0.000 1.155 115 D CA -0.032 53.823 54.000 -0.242 0.000 0.924 115 D CB 0.160 40.821 40.800 -0.232 0.000 1.029 115 D HN 0.708 nan 8.370 nan 0.000 0.515 116 A N 3.895 126.821 122.820 0.176 0.000 2.511 116 A HA 0.187 4.507 4.320 -0.001 0.000 0.242 116 A C 1.031 178.716 177.584 0.169 0.000 1.069 116 A CA 0.137 52.364 52.037 0.316 0.000 0.763 116 A CB 0.477 19.646 19.000 0.282 0.000 1.001 116 A HN 0.507 nan 8.150 nan 0.000 0.498 117 K N 1.511 122.022 120.400 0.184 0.000 2.491 117 K HA 0.168 4.488 4.320 -0.001 0.000 0.211 117 K C 0.708 177.141 176.600 -0.278 0.000 1.210 117 K CA 0.847 57.183 56.287 0.081 0.000 1.003 117 K CB 1.107 33.758 32.500 0.250 0.000 1.009 117 K HN 0.774 nan 8.250 nan 0.000 0.577 118 G N 0.586 109.074 108.800 -0.519 0.000 2.473 118 G HA2 0.580 4.539 3.960 -0.001 0.000 0.321 118 G HA3 0.580 4.539 3.960 -0.001 0.000 0.321 118 G C -1.107 173.469 174.900 -0.540 0.000 1.200 118 G CA -0.340 43.920 45.100 -1.400 0.000 0.963 118 G HN -0.116 nan 8.290 nan 0.000 0.483 119 V N 1.012 120.637 119.914 -0.482 0.000 2.876 119 V HA 0.556 4.675 4.120 -0.001 0.000 0.312 119 V C -1.089 174.900 176.094 -0.175 0.000 1.085 119 V CA -0.914 61.256 62.300 -0.216 0.000 0.945 119 V CB 2.365 34.094 31.823 -0.156 0.000 1.017 119 V HN 0.804 nan 8.190 nan 0.000 0.428 120 W N 5.834 126.902 121.300 -0.388 0.000 2.433 120 W HA 0.579 5.238 4.660 -0.001 0.000 0.315 120 W C -1.551 174.730 176.519 -0.397 0.000 1.087 120 W CA -0.927 56.136 57.345 -0.469 0.000 1.205 120 W CB 1.434 30.483 29.460 -0.686 0.000 1.288 120 W HN 0.446 nan 8.180 nan 0.000 0.504 121 L N 6.469 127.041 121.223 -1.084 0.000 2.325 121 L HA 0.099 4.438 4.340 -0.001 0.000 0.284 121 L C 0.900 177.254 176.870 -0.860 0.000 1.089 121 L CA 0.036 54.420 54.840 -0.759 0.000 0.836 121 L CB 0.857 42.584 42.059 -0.553 0.000 1.184 121 L HN 0.328 nan 8.230 nan 0.000 0.444 122 T N 3.862 118.177 114.554 -0.398 0.000 2.902 122 T HA -0.019 4.330 4.350 -0.001 0.000 0.301 122 T C 0.647 175.217 174.700 -0.217 0.000 1.012 122 T CA -0.107 61.891 62.100 -0.170 0.000 1.151 122 T CB 0.312 69.129 68.868 -0.085 0.000 0.946 122 T HN 0.593 nan 8.240 nan 0.000 0.542 123 E N 1.833 122.010 120.200 -0.039 0.000 3.065 123 E HA -0.239 4.110 4.350 -0.001 0.000 0.277 123 E C 0.769 177.378 176.600 0.015 0.000 1.008 123 E CA 0.542 56.962 56.400 0.033 0.000 0.864 123 E CB -0.896 28.659 29.700 -0.243 0.000 1.439 123 E HN 0.712 nan 8.360 nan 0.000 0.445 124 R N -2.823 117.586 120.500 -0.153 0.000 3.863 124 R HA -0.179 4.161 4.340 -0.001 0.000 0.313 124 R C -0.276 176.044 176.300 0.034 0.000 1.202 124 R CA 1.076 57.116 56.100 -0.101 0.000 0.852 124 R CB -2.489 27.913 30.300 0.170 0.000 1.292 124 R HN 0.156 nan 8.270 nan 0.000 0.519 125 V N 1.109 120.951 119.914 -0.119 0.000 2.427 125 V HA 0.174 4.293 4.120 -0.001 0.000 0.268 125 V C 0.561 176.663 176.094 0.014 0.000 1.046 125 V CA -0.418 61.831 62.300 -0.084 0.000 0.970 125 V CB 0.795 32.419 31.823 -0.331 0.000 1.001 125 V HN 0.285 nan 8.190 nan 0.000 0.476 126 W N 6.116 127.394 121.300 -0.036 0.000 2.520 126 W HA 0.543 5.202 4.660 -0.001 0.000 0.323 126 W C -0.897 175.595 176.519 -0.046 0.000 1.062 126 W CA -0.647 56.655 57.345 -0.072 0.000 1.215 126 W CB 1.680 31.097 29.460 -0.071 0.000 1.340 126 W HN 0.494 nan 8.180 nan 0.000 0.516 127 Q N 6.795 125.951 119.800 -1.074 0.000 2.268 127 Q HA 0.130 4.469 4.340 -0.001 0.000 0.266 127 Q C -1.701 173.593 176.000 -1.178 0.000 1.006 127 Q CA -1.632 53.697 55.803 -0.790 0.000 0.824 127 Q CB 3.264 31.762 28.738 -0.400 0.000 1.306 127 Q HN 0.267 nan 8.270 nan 0.000 0.424 128 P HA -0.288 nan 4.420 nan 0.000 0.217 128 P C 0.859 177.977 177.300 -0.303 0.000 1.151 128 P CA 1.684 64.584 63.100 -0.335 0.000 0.849 128 P CB 0.255 31.949 31.700 -0.009 0.000 0.787 129 E N 0.508 120.539 120.200 -0.281 0.000 2.401 129 E HA -0.138 4.211 4.350 -0.001 0.000 0.199 129 E C 2.070 178.540 176.600 -0.217 0.000 1.023 129 E CA 0.717 57.005 56.400 -0.187 0.000 0.859 129 E CB -1.200 28.414 29.700 -0.143 0.000 0.780 129 E HN 0.352 nan 8.360 nan 0.000 0.523 130 L N 0.708 121.698 121.223 -0.387 0.000 2.217 130 L HA -0.108 4.231 4.340 -0.001 0.000 0.211 130 L C 2.581 179.362 176.870 -0.148 0.000 1.107 130 L CA 0.445 55.092 54.840 -0.322 0.000 0.783 130 L CB -0.426 41.318 42.059 -0.525 0.000 0.919 130 L HN -0.025 nan 8.230 nan 0.000 0.442 131 V N 0.514 120.377 119.914 -0.086 0.000 2.282 131 V HA -0.349 3.770 4.120 -0.001 0.000 0.249 131 V C 2.668 178.781 176.094 0.033 0.000 1.057 131 V CA 2.224 64.568 62.300 0.073 0.000 1.032 131 V CB -0.527 31.375 31.823 0.132 0.000 0.645 131 V HN 0.411 nan 8.190 nan 0.000 0.447 132 K N 0.733 121.133 120.400 -0.000 0.000 2.002 132 K HA -0.147 4.172 4.320 -0.001 0.000 0.209 132 K C 2.304 178.903 176.600 -0.003 0.000 1.048 132 K CA 2.207 58.495 56.287 0.001 0.000 0.930 132 K CB -0.799 31.694 32.500 -0.011 0.000 0.714 132 K HN 0.431 nan 8.250 nan 0.000 0.438 133 S N 0.841 116.528 115.700 -0.022 0.000 2.359 133 S HA -0.124 4.346 4.470 -0.001 0.000 0.224 133 S C 1.897 176.495 174.600 -0.004 0.000 1.035 133 S CA 1.595 59.784 58.200 -0.018 0.000 1.018 133 S CB -0.460 62.717 63.200 -0.038 0.000 0.876 133 S HN 0.265 nan 8.310 nan 0.000 0.448 134 L N 0.970 122.191 121.223 -0.002 0.000 2.012 134 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 134 L C 2.818 179.703 176.870 0.025 0.000 1.073 134 L CA 1.160 56.008 54.840 0.012 0.000 0.748 134 L CB -0.517 41.559 42.059 0.029 0.000 0.891 134 L HN 0.184 nan 8.230 nan 0.000 0.431 135 R N 0.353 120.874 120.500 0.035 0.000 2.096 135 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 135 R C 2.024 178.342 176.300 0.030 0.000 1.127 135 R CA 1.123 57.247 56.100 0.040 0.000 0.968 135 R CB -0.579 29.748 30.300 0.044 0.000 0.861 135 R HN 0.529 nan 8.270 nan 0.000 0.440 136 E N 0.355 120.568 120.200 0.022 0.000 2.153 136 E HA -0.087 4.263 4.350 -0.001 0.000 0.194 136 E C 1.406 178.019 176.600 0.021 0.000 0.988 136 E CA 1.113 57.524 56.400 0.018 0.000 0.811 136 E CB 0.007 29.714 29.700 0.012 0.000 0.746 136 E HN 0.270 nan 8.360 nan 0.000 0.466 137 A N 0.149 122.983 122.820 0.022 0.000 2.259 137 A HA 0.273 4.592 4.320 -0.001 0.000 0.208 137 A C 1.517 179.120 177.584 0.031 0.000 1.201 137 A CA 0.719 52.773 52.037 0.027 0.000 0.824 137 A CB -0.258 18.759 19.000 0.028 0.000 0.838 137 A HN 0.307 nan 8.150 nan 0.000 0.485 138 G N -0.690 108.129 108.800 0.032 0.000 2.143 138 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.248 138 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.248 138 G C -0.045 174.878 174.900 0.039 0.000 0.991 138 G CA 0.185 45.308 45.100 0.038 0.000 0.689 138 G HN 0.324 nan 8.290 nan 0.000 0.522 139 I N 0.682 121.268 120.570 0.027 0.000 2.395 139 I HA 0.270 4.440 4.170 -0.001 0.000 0.289 139 I C 1.185 177.325 176.117 0.039 0.000 1.023 139 I CA -0.202 61.097 61.300 -0.001 0.000 1.350 139 I CB 1.138 39.116 38.000 -0.037 0.000 1.409 139 I HN 0.259 nan 8.210 nan 0.000 0.507 140 E N 4.902 125.139 120.200 0.061 0.000 2.415 140 E HA 0.035 4.385 4.350 -0.001 0.000 0.197 140 E C -0.860 175.911 176.600 0.285 0.000 1.007 140 E CA 0.427 56.939 56.400 0.188 0.000 0.890 140 E CB 0.593 30.456 29.700 0.272 0.000 0.891 140 E HN 0.668 nan 8.360 nan 0.000 0.496 141 Y N -2.710 117.669 120.300 0.131 0.000 2.638 141 Y HA 0.630 5.179 4.550 -0.001 0.000 0.335 141 Y C -1.355 174.578 175.900 0.056 0.000 1.155 141 Y CA -1.554 56.622 58.100 0.127 0.000 1.046 141 Y CB 1.216 39.818 38.460 0.236 0.000 1.303 141 Y HN -0.259 nan 8.280 nan 0.000 0.460 142 V N 2.028 122.079 119.914 0.229 0.000 2.841 142 V HA 0.723 4.842 4.120 -0.001 0.000 0.310 142 V C -1.665 174.473 176.094 0.072 0.000 1.090 142 V CA -0.831 61.492 62.300 0.039 0.000 0.930 142 V CB 2.094 33.920 31.823 0.004 0.000 1.014 142 V HN 0.870 nan 8.190 nan 0.000 0.425 143 V N 6.908 126.772 119.914 -0.083 0.000 2.406 143 V HA 0.622 4.741 4.120 -0.001 0.000 0.272 143 V C -0.111 175.820 176.094 -0.272 0.000 1.043 143 V CA 0.175 62.403 62.300 -0.119 0.000 0.915 143 V CB 1.354 33.074 31.823 -0.173 0.000 0.988 143 V HN 1.010 nan 8.190 nan 0.000 0.466 144 V N 1.501 121.326 119.914 -0.149 0.000 2.888 144 V HA 0.620 4.740 4.120 -0.001 0.000 0.309 144 V C -0.511 175.585 176.094 0.005 0.000 1.114 144 V CA -1.038 61.106 62.300 -0.260 0.000 0.940 144 V CB 2.099 33.611 31.823 -0.518 0.000 1.021 144 V HN 0.667 nan 8.190 nan 0.000 0.426 145 D N 3.268 123.711 120.400 0.072 0.000 2.423 145 D HA 0.050 4.689 4.640 -0.001 0.000 0.238 145 D C 0.589 177.132 176.300 0.405 0.000 1.142 145 D CA 0.789 54.942 54.000 0.254 0.000 0.884 145 D CB 1.603 42.589 40.800 0.311 0.000 1.199 145 D HN 0.956 nan 8.370 nan 0.000 0.438 146 D N 0.873 121.438 120.400 0.275 0.000 2.309 146 D HA -0.253 4.386 4.640 -0.001 0.000 0.212 146 D C 1.729 178.228 176.300 0.332 0.000 0.968 146 D CA 0.743 54.895 54.000 0.253 0.000 0.882 146 D CB -0.567 40.245 40.800 0.020 0.000 0.918 146 D HN 0.537 nan 8.370 nan 0.000 0.503 147 Y N 1.263 121.674 120.300 0.185 0.000 2.139 147 Y HA -0.337 4.212 4.550 -0.001 0.000 0.282 147 Y C 1.796 177.724 175.900 0.047 0.000 1.179 147 Y CA 2.083 60.235 58.100 0.087 0.000 1.161 147 Y CB -0.530 37.961 38.460 0.053 0.000 0.970 147 Y HN 0.071 nan 8.280 nan 0.000 0.511 148 H N -1.506 117.577 119.070 0.023 0.000 2.326 148 H HA -0.094 4.461 4.556 -0.001 0.000 0.301 148 H C 1.903 177.066 175.328 -0.275 0.000 1.081 148 H CA 2.262 58.176 56.048 -0.223 0.000 1.334 148 H CB -0.894 28.676 29.762 -0.320 0.000 1.385 148 H HN 0.358 nan 8.280 nan 0.000 0.504 149 F N 0.091 119.999 119.950 -0.069 0.000 2.171 149 F HA -0.170 4.356 4.527 -0.001 0.000 0.300 149 F C 2.426 178.135 175.800 -0.151 0.000 1.090 149 F CA 1.043 58.946 58.000 -0.162 0.000 1.293 149 F CB -0.471 38.399 39.000 -0.216 0.000 1.013 149 F HN 0.116 nan 8.300 nan 0.000 0.486 150 M N -0.936 118.695 119.600 0.052 0.000 2.229 150 M HA -0.159 4.321 4.480 -0.001 0.000 0.264 150 M C 2.208 178.439 176.300 -0.116 0.000 1.063 150 M CA 1.294 56.568 55.300 -0.044 0.000 1.114 150 M CB -0.601 31.966 32.600 -0.054 0.000 1.387 150 M HN -0.004 nan 8.290 nan 0.000 0.420 151 S N 1.000 116.579 115.700 -0.201 0.000 2.402 151 S HA -0.040 4.429 4.470 -0.001 0.000 0.229 151 S C 2.088 176.638 174.600 -0.084 0.000 1.021 151 S CA 1.211 59.292 58.200 -0.200 0.000 0.974 151 S CB -0.331 62.670 63.200 -0.330 0.000 0.800 151 S HN 0.562 nan 8.310 nan 0.000 0.484 152 A N 0.557 123.325 122.820 -0.086 0.000 2.070 152 A HA 0.337 4.657 4.320 -0.001 0.000 0.220 152 A C 1.795 179.381 177.584 0.003 0.000 1.159 152 A CA 1.379 53.390 52.037 -0.044 0.000 0.656 152 A CB -0.747 18.203 19.000 -0.084 0.000 0.800 152 A HN 0.971 nan 8.150 nan 0.000 0.453 153 G N -2.637 106.169 108.800 0.010 0.000 2.175 153 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.182 153 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.182 153 G C -0.127 174.792 174.900 0.032 0.000 1.003 153 G CA -0.042 45.086 45.100 0.047 0.000 0.666 153 G HN 0.244 nan 8.290 nan 0.000 0.506 154 L N 2.137 123.368 121.223 0.013 0.000 2.375 154 L HA 0.613 4.952 4.340 -0.001 0.000 0.271 154 L C 1.356 178.231 176.870 0.008 0.000 1.107 154 L CA 0.313 55.161 54.840 0.012 0.000 0.806 154 L CB 1.136 43.190 42.059 -0.008 0.000 1.146 154 L HN 0.527 nan 8.230 nan 0.000 0.447 155 S N 1.640 117.354 115.700 0.023 0.000 2.646 155 S HA 0.234 4.703 4.470 -0.001 0.000 0.276 155 S C 0.881 175.490 174.600 0.014 0.000 1.222 155 S CA -0.644 57.569 58.200 0.022 0.000 1.014 155 S CB 1.999 65.228 63.200 0.048 0.000 0.991 155 S HN 0.547 nan 8.310 nan 0.000 0.533 156 K N 0.981 121.386 120.400 0.008 0.000 2.074 156 K HA -0.121 4.198 4.320 -0.001 0.000 0.209 156 K C 1.682 178.283 176.600 0.003 0.000 1.048 156 K CA 1.778 58.047 56.287 -0.031 0.000 0.926 156 K CB -0.533 31.986 32.500 0.033 0.000 0.713 156 K HN 0.691 nan 8.250 nan 0.000 0.444 157 E N 0.640 120.940 120.200 0.167 0.000 2.333 157 E HA -0.174 4.175 4.350 -0.001 0.000 0.198 157 E C 1.163 178.002 176.600 0.399 0.000 1.007 157 E CA 0.994 57.593 56.400 0.332 0.000 0.845 157 E CB -0.021 29.837 29.700 0.263 0.000 0.766 157 E HN 0.586 nan 8.360 nan 0.000 0.507 158 E N -0.055 120.297 120.200 0.253 0.000 2.474 158 E HA 0.083 4.433 4.350 -0.001 0.000 0.194 158 E C 0.951 177.785 176.600 0.390 0.000 1.041 158 E CA -0.062 56.547 56.400 0.348 0.000 0.874 158 E CB 0.246 30.079 29.700 0.221 0.000 0.914 158 E HN 0.172 nan 8.360 nan 0.000 0.498 159 L N 0.638 121.873 121.223 0.020 0.000 2.851 159 L HA 0.242 4.582 4.340 -0.001 0.000 0.237 159 L C 0.118 176.675 176.870 -0.522 0.000 1.257 159 L CA -0.075 54.611 54.840 -0.258 0.000 1.061 159 L CB -0.120 41.651 42.059 -0.480 0.000 1.372 159 L HN 0.068 nan 8.230 nan 0.000 0.493 160 F N -0.181 119.720 119.950 -0.081 0.000 2.850 160 F HA 0.288 4.814 4.527 -0.001 0.000 0.306 160 F C 0.058 175.281 175.800 -0.962 0.000 1.162 160 F CA -0.360 57.280 58.000 -0.600 0.000 1.327 160 F CB 0.417 38.879 39.000 -0.897 0.000 0.953 160 F HN 0.091 nan 8.300 nan 0.000 0.507 161 W N 1.171 122.442 121.300 -0.049 0.000 3.363 161 W HA 0.238 4.898 4.660 -0.001 0.000 0.306 161 W C -2.721 173.615 176.519 -0.305 0.000 1.253 161 W CA -1.663 55.578 57.345 -0.174 0.000 1.195 161 W CB 1.566 30.886 29.460 -0.235 0.000 1.366 161 W HN -0.263 nan 8.180 nan 0.000 0.551 162 P HA 0.341 nan 4.420 nan 0.000 0.276 162 P C -1.307 175.800 177.300 -0.321 0.000 1.261 162 P CA 0.256 63.053 63.100 -0.505 0.000 0.800 162 P CB 1.660 32.597 31.700 -1.272 0.000 1.066 163 Y N -1.713 118.429 120.300 -0.263 0.000 2.665 163 Y HA 0.443 4.993 4.550 -0.001 0.000 0.336 163 Y C 0.253 176.033 175.900 -0.201 0.000 1.085 163 Y CA -0.571 57.436 58.100 -0.155 0.000 1.096 163 Y CB 1.258 39.763 38.460 0.075 0.000 1.301 163 Y HN 0.265 nan 8.280 nan 0.000 0.493 164 Y N -0.408 119.968 120.300 0.127 0.000 2.453 164 Y HA 0.584 5.134 4.550 -0.001 0.000 0.326 164 Y C 0.270 176.130 175.900 -0.066 0.000 1.186 164 Y CA -0.460 57.650 58.100 0.017 0.000 1.200 164 Y CB 2.222 40.681 38.460 -0.003 0.000 1.247 164 Y HN 0.425 nan 8.280 nan 0.000 0.482 165 T N 1.811 116.409 114.554 0.074 0.000 2.956 165 T HA 0.427 4.776 4.350 -0.001 0.000 0.312 165 T C -1.740 172.909 174.700 -0.084 0.000 1.151 165 T CA -0.803 61.199 62.100 -0.164 0.000 1.024 165 T CB 1.144 69.883 68.868 -0.214 0.000 1.140 165 T HN 0.696 nan 8.240 nan 0.000 0.473 166 E N 2.794 122.885 120.200 -0.182 0.000 2.369 166 E HA 0.806 5.155 4.350 -0.001 0.000 0.270 166 E C -1.442 175.253 176.600 0.159 0.000 0.909 166 E CA -0.713 55.697 56.400 0.016 0.000 0.775 166 E CB 1.975 31.685 29.700 0.016 0.000 1.270 166 E HN 0.464 nan 8.360 nan 0.000 0.445 167 D N 0.471 120.954 120.400 0.138 0.000 2.706 167 D HA 0.345 4.984 4.640 -0.001 0.000 0.227 167 D C 0.144 176.488 176.300 0.074 0.000 1.233 167 D CA 0.039 54.118 54.000 0.132 0.000 0.768 167 D CB 1.495 42.368 40.800 0.121 0.000 1.490 167 D HN 0.981 nan 8.370 nan 0.000 0.458 168 G N 1.323 110.156 108.800 0.054 0.000 2.187 168 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.261 168 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.261 168 G C 1.118 176.037 174.900 0.031 0.000 1.000 168 G CA 1.331 46.450 45.100 0.030 0.000 0.718 168 G HN 1.617 nan 8.290 nan 0.000 0.519 169 G N -1.391 107.436 108.800 0.045 0.000 2.284 169 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.247 169 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.247 169 G C 0.257 175.171 174.900 0.024 0.000 1.012 169 G CA 1.064 46.184 45.100 0.034 0.000 0.618 169 G HN 1.004 nan 8.290 nan 0.000 0.521 170 E N 0.102 120.318 120.200 0.027 0.000 2.283 170 E HA 0.575 4.925 4.350 -0.001 0.000 0.267 170 E C 0.352 176.966 176.600 0.023 0.000 1.045 170 E CA -0.202 56.209 56.400 0.018 0.000 0.884 170 E CB 2.330 32.045 29.700 0.025 0.000 1.106 170 E HN 0.802 nan 8.360 nan 0.000 0.408 171 V N -0.569 119.347 119.914 0.004 0.000 3.046 171 V HA 0.770 4.889 4.120 -0.001 0.000 0.316 171 V C -0.451 175.699 176.094 0.092 0.000 1.104 171 V CA -0.823 61.486 62.300 0.014 0.000 1.006 171 V CB 1.761 33.507 31.823 -0.128 0.000 1.058 171 V HN 0.719 nan 8.190 nan 0.000 0.440 172 I N 0.356 121.029 120.570 0.172 0.000 3.006 172 I HA 0.590 4.760 4.170 -0.001 0.000 0.306 172 I C -0.249 176.030 176.117 0.270 0.000 1.250 172 I CA -0.143 61.288 61.300 0.218 0.000 0.996 172 I CB 2.672 40.779 38.000 0.179 0.000 1.261 172 I HN 0.877 nan 8.210 nan 0.000 0.442 173 T N 5.053 119.756 114.554 0.249 0.000 2.889 173 T HA 0.512 4.862 4.350 -0.001 0.000 0.291 173 T C -0.728 174.031 174.700 0.098 0.000 0.995 173 T CA -0.387 61.784 62.100 0.117 0.000 1.092 173 T CB 1.095 70.016 68.868 0.089 0.000 0.954 173 T HN 0.425 nan 8.240 nan 0.000 0.506 174 V N 0.724 120.632 119.914 -0.010 0.000 2.577 174 V HA 0.695 4.815 4.120 -0.001 0.000 0.303 174 V C -1.141 174.977 176.094 0.041 0.000 1.042 174 V CA -1.188 61.134 62.300 0.036 0.000 0.872 174 V CB 1.090 32.862 31.823 -0.085 0.000 0.998 174 V HN 0.711 nan 8.190 nan 0.000 0.423 175 F N 6.508 126.493 119.950 0.058 0.000 2.404 175 F HA 0.633 5.159 4.527 -0.001 0.000 0.354 175 F C -1.944 173.864 175.800 0.013 0.000 1.122 175 F CA -2.168 55.844 58.000 0.020 0.000 1.080 175 F CB 2.312 41.339 39.000 0.045 0.000 1.131 175 F HN 0.389 nan 8.300 nan 0.000 0.471 176 P HA 0.210 nan 4.420 nan 0.000 0.280 176 P C -0.486 176.830 177.300 0.026 0.000 1.244 176 P CA 0.006 63.020 63.100 -0.143 0.000 0.784 176 P CB 1.393 32.606 31.700 -0.811 0.000 0.913 177 I N 2.792 123.415 120.570 0.089 0.000 2.315 177 I HA 0.141 4.311 4.170 -0.001 0.000 0.291 177 I C 1.003 177.191 176.117 0.117 0.000 1.006 177 I CA -0.510 60.865 61.300 0.125 0.000 1.265 177 I CB 0.648 38.722 38.000 0.123 0.000 1.387 177 I HN 0.248 nan 8.210 nan 0.000 0.475 178 D N 6.339 126.838 120.400 0.165 0.000 2.434 178 D HA -0.086 4.554 4.640 -0.001 0.000 0.252 178 D C 1.016 177.453 176.300 0.229 0.000 1.185 178 D CA 0.543 54.668 54.000 0.208 0.000 0.886 178 D CB 0.987 42.015 40.800 0.381 0.000 1.148 178 D HN 0.641 nan 8.370 nan 0.000 0.483 179 E N 3.837 124.139 120.200 0.170 0.000 2.072 179 E HA -0.210 4.139 4.350 -0.001 0.000 0.191 179 E C 1.634 178.340 176.600 0.176 0.000 0.985 179 E CA 0.844 57.338 56.400 0.156 0.000 0.801 179 E CB 0.206 29.970 29.700 0.107 0.000 0.750 179 E HN 0.435 nan 8.360 nan 0.000 0.452 180 K N 0.390 120.877 120.400 0.145 0.000 2.057 180 K HA -0.138 4.182 4.320 -0.001 0.000 0.207 180 K C 2.217 178.907 176.600 0.149 0.000 1.049 180 K CA 1.164 57.487 56.287 0.060 0.000 0.931 180 K CB -0.104 32.254 32.500 -0.237 0.000 0.714 180 K HN 0.186 nan 8.250 nan 0.000 0.440 181 L N 0.471 121.863 121.223 0.281 0.000 2.187 181 L HA -0.188 4.152 4.340 -0.001 0.000 0.213 181 L C 2.434 179.583 176.870 0.464 0.000 1.100 181 L CA 1.199 56.287 54.840 0.414 0.000 0.765 181 L CB -0.291 42.160 42.059 0.654 0.000 0.904 181 L HN 0.197 nan 8.230 nan 0.000 0.437 182 R N -1.387 119.391 120.500 0.462 0.000 2.115 182 R HA -0.189 4.150 4.340 -0.001 0.000 0.230 182 R C 2.176 178.706 176.300 0.383 0.000 1.111 182 R CA 1.269 57.648 56.100 0.464 0.000 0.976 182 R CB -0.309 30.177 30.300 0.310 0.000 0.870 182 R HN 0.296 nan 8.270 nan 0.000 0.445 183 Y N 1.033 121.453 120.300 0.199 0.000 2.337 183 Y HA 0.019 4.568 4.550 -0.001 0.000 0.293 183 Y C 1.637 177.627 175.900 0.149 0.000 1.123 183 Y CA 0.968 59.173 58.100 0.174 0.000 1.201 183 Y CB 0.031 38.534 38.460 0.071 0.000 1.011 183 Y HN -0.095 nan 8.280 nan 0.000 0.545 184 L N -0.038 121.148 121.223 -0.061 0.000 2.131 184 L HA 0.033 4.372 4.340 -0.001 0.000 0.206 184 L C 0.301 177.054 176.870 -0.196 0.000 1.087 184 L CA 0.570 55.307 54.840 -0.171 0.000 0.767 184 L CB -0.104 41.948 42.059 -0.011 0.000 0.917 184 L HN -0.009 nan 8.230 nan 0.000 0.441 185 I N 1.662 122.084 120.570 -0.248 0.000 2.339 185 I HA 0.187 4.357 4.170 -0.001 0.000 0.290 185 I C -1.882 173.677 176.117 -0.930 0.000 0.994 185 I CA -1.307 59.639 61.300 -0.590 0.000 1.191 185 I CB 1.889 39.436 38.000 -0.755 0.000 1.343 185 I HN -0.161 nan 8.210 nan 0.000 0.458 186 P HA 0.183 nan 4.420 nan 0.000 0.290 186 P C 0.843 177.283 177.300 -1.432 0.000 1.447 186 P CA -0.098 61.816 63.100 -1.977 0.000 1.127 186 P CB 0.207 30.528 31.700 -2.297 0.000 1.555 187 F N 0.426 119.923 119.950 -0.754 0.000 2.216 187 F HA -0.032 4.495 4.527 -0.001 0.000 0.300 187 F C 1.591 177.014 175.800 -0.629 0.000 1.085 187 F CA 0.966 58.545 58.000 -0.701 0.000 1.326 187 F CB -0.683 38.001 39.000 -0.527 0.000 1.027 187 F HN -0.136 nan 8.300 nan 0.000 0.497 188 R N 0.061 120.416 120.500 -0.242 0.000 2.607 188 R HA 0.367 4.707 4.340 -0.001 0.000 0.261 188 R C -2.490 174.014 176.300 0.340 0.000 1.051 188 R CA -2.944 53.109 56.100 -0.078 0.000 1.110 188 R CB -0.809 29.382 30.300 -0.181 0.000 1.158 188 R HN -0.166 nan 8.270 nan 0.000 0.543 189 P HA -0.030 nan 4.420 nan 0.000 0.265 189 P C 0.947 178.450 177.300 0.338 0.000 1.193 189 P CA 0.072 63.436 63.100 0.440 0.000 0.765 189 P CB 0.508 32.356 31.700 0.247 0.000 0.823 190 V N 3.938 123.960 119.914 0.179 0.000 2.277 190 V HA -0.353 3.766 4.120 -0.001 0.000 0.253 190 V C 2.211 178.314 176.094 0.014 0.000 1.067 190 V CA 2.720 64.977 62.300 -0.073 0.000 1.047 190 V CB -1.215 30.366 31.823 -0.403 0.000 0.649 190 V HN 0.695 nan 8.190 nan 0.000 0.447 191 K N 1.021 121.424 120.400 0.004 0.000 2.209 191 K HA -0.201 4.118 4.320 -0.001 0.000 0.204 191 K C 1.799 178.423 176.600 0.041 0.000 1.048 191 K CA 1.705 57.992 56.287 0.001 0.000 0.940 191 K CB -0.473 32.024 32.500 -0.005 0.000 0.729 191 K HN 0.269 nan 8.250 nan 0.000 0.451 192 K N 0.727 121.174 120.400 0.079 0.000 2.097 192 K HA -0.025 4.295 4.320 -0.001 0.000 0.206 192 K C 1.739 178.408 176.600 0.114 0.000 1.049 192 K CA 1.883 58.222 56.287 0.088 0.000 0.933 192 K CB -0.679 31.870 32.500 0.081 0.000 0.717 192 K HN 0.363 nan 8.250 nan 0.000 0.442 193 T N 0.996 115.630 114.554 0.133 0.000 2.896 193 T HA 0.012 4.362 4.350 -0.001 0.000 0.263 193 T C 1.564 176.313 174.700 0.081 0.000 1.050 193 T CA 0.881 63.078 62.100 0.162 0.000 1.140 193 T CB -0.037 68.967 68.868 0.226 0.000 0.877 193 T HN 0.028 nan 8.240 nan 0.000 0.457 194 I N 1.843 122.423 120.570 0.016 0.000 2.226 194 I HA -0.099 4.070 4.170 -0.001 0.000 0.245 194 I C 2.350 178.442 176.117 -0.042 0.000 1.100 194 I CA 1.427 62.686 61.300 -0.069 0.000 1.374 194 I CB -1.164 36.780 38.000 -0.093 0.000 1.057 194 I HN 0.413 nan 8.210 nan 0.000 0.413 195 E N -0.028 120.180 120.200 0.014 0.000 2.031 195 E HA -0.278 4.072 4.350 -0.001 0.000 0.193 195 E C 2.242 178.879 176.600 0.063 0.000 0.994 195 E CA 1.430 57.847 56.400 0.028 0.000 0.800 195 E CB -0.447 29.285 29.700 0.052 0.000 0.752 195 E HN 0.425 nan 8.360 nan 0.000 0.447 196 Y N 1.773 122.059 120.300 -0.024 0.000 2.128 196 Y HA -0.240 4.310 4.550 -0.001 0.000 0.284 196 Y C 1.942 177.804 175.900 -0.064 0.000 1.154 196 Y CA 1.465 59.555 58.100 -0.016 0.000 1.149 196 Y CB -0.402 38.077 38.460 0.031 0.000 0.976 196 Y HN -0.050 nan 8.280 nan 0.000 0.505 197 L N -0.170 120.915 121.223 -0.231 0.000 2.017 197 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 197 L C 2.423 179.114 176.870 -0.299 0.000 1.073 197 L CA 1.822 56.438 54.840 -0.374 0.000 0.745 197 L CB -0.662 41.201 42.059 -0.328 0.000 0.894 197 L HN 0.207 nan 8.230 nan 0.000 0.432 198 E N -0.125 119.959 120.200 -0.195 0.000 2.209 198 E HA -0.222 4.127 4.350 -0.001 0.000 0.196 198 E C 2.255 178.761 176.600 -0.157 0.000 0.993 198 E CA 1.475 57.783 56.400 -0.153 0.000 0.819 198 E CB -0.049 29.589 29.700 -0.104 0.000 0.745 198 E HN 0.499 nan 8.360 nan 0.000 0.477 199 S N 0.286 115.886 115.700 -0.167 0.000 2.481 199 S HA -0.027 4.443 4.470 -0.001 0.000 0.231 199 S C 1.824 176.283 174.600 -0.236 0.000 0.996 199 S CA 0.392 58.503 58.200 -0.148 0.000 0.942 199 S CB -0.131 63.025 63.200 -0.073 0.000 0.768 199 S HN 0.202 nan 8.310 nan 0.000 0.520 200 L N 1.199 122.198 121.223 -0.375 0.000 2.509 200 L HA 0.134 4.473 4.340 -0.001 0.000 0.222 200 L C 0.998 177.652 176.870 -0.359 0.000 1.123 200 L CA -0.056 54.485 54.840 -0.498 0.000 0.856 200 L CB -1.082 40.514 42.059 -0.771 0.000 0.985 200 L HN 0.202 nan 8.230 nan 0.000 0.456 201 T N 0.487 114.891 114.554 -0.250 0.000 2.902 201 T HA 0.046 4.395 4.350 -0.001 0.000 0.317 201 T C 0.374 174.995 174.700 -0.131 0.000 1.064 201 T CA 0.623 62.620 62.100 -0.170 0.000 1.130 201 T CB 0.458 69.251 68.868 -0.124 0.000 1.073 201 T HN 0.279 nan 8.240 nan 0.000 0.524 202 S N -0.098 115.546 115.700 -0.092 0.000 2.661 202 S HA 0.228 4.698 4.470 -0.001 0.000 0.268 202 S C 0.655 175.243 174.600 -0.019 0.000 1.162 202 S CA -0.812 57.361 58.200 -0.045 0.000 0.817 202 S CB 1.357 64.544 63.200 -0.022 0.000 1.141 202 S HN 0.850 nan 8.310 nan 0.000 0.477 203 D N 0.286 120.689 120.400 0.006 0.000 2.249 203 D HA -0.060 4.580 4.640 -0.001 0.000 0.205 203 D C 0.204 176.521 176.300 0.028 0.000 0.962 203 D CA 0.384 54.392 54.000 0.014 0.000 0.860 203 D CB -0.401 40.410 40.800 0.017 0.000 0.955 203 D HN 0.431 nan 8.370 nan 0.000 0.505 204 D N 2.729 123.159 120.400 0.051 0.000 2.349 204 D HA 0.006 4.645 4.640 -0.001 0.000 0.266 204 D C -1.301 175.013 176.300 0.023 0.000 1.293 204 D CA -1.728 52.319 54.000 0.077 0.000 0.926 204 D CB 1.290 42.207 40.800 0.195 0.000 1.090 204 D HN 0.017 nan 8.370 nan 0.000 0.502 205 P HA -0.061 nan 4.420 nan 0.000 0.242 205 P C 0.451 177.545 177.300 -0.344 0.000 1.197 205 P CA 0.405 63.479 63.100 -0.044 0.000 0.765 205 P CB 0.181 31.936 31.700 0.092 0.000 0.936 206 S N -2.277 113.148 115.700 -0.457 0.000 2.540 206 S HA 0.122 4.591 4.470 -0.001 0.000 0.222 206 S C 0.869 175.306 174.600 -0.272 0.000 1.008 206 S CA -0.440 57.199 58.200 -0.936 0.000 0.939 206 S CB -0.281 62.414 63.200 -0.842 0.000 0.865 206 S HN 0.006 nan 8.310 nan 0.000 0.499 207 K N 1.576 121.858 120.400 -0.197 0.000 2.448 207 K HA 0.345 4.664 4.320 -0.001 0.000 0.278 207 K C -0.942 175.431 176.600 -0.378 0.000 1.009 207 K CA -0.004 55.941 56.287 -0.570 0.000 0.995 207 K CB 0.746 32.976 32.500 -0.450 0.000 0.917 207 K HN 0.167 nan 8.250 nan 0.000 0.481 208 V N 2.514 122.176 119.914 -0.420 0.000 2.971 208 V HA 0.739 4.858 4.120 -0.001 0.000 0.309 208 V C -1.698 174.388 176.094 -0.014 0.000 1.130 208 V CA -0.449 61.752 62.300 -0.165 0.000 0.964 208 V CB 2.031 33.736 31.823 -0.196 0.000 1.029 208 V HN 0.957 nan 8.190 nan 0.000 0.427 209 A N 4.973 127.864 122.820 0.119 0.000 2.342 209 A HA 0.886 5.206 4.320 -0.001 0.000 0.323 209 A C -1.210 176.552 177.584 0.296 0.000 1.125 209 A CA -0.548 51.672 52.037 0.305 0.000 0.785 209 A CB 1.792 20.977 19.000 0.308 0.000 1.221 209 A HN 1.167 nan 8.150 nan 0.000 0.463 210 V N 2.460 122.531 119.914 0.262 0.000 2.487 210 V HA 0.507 4.627 4.120 -0.001 0.000 0.298 210 V C -0.961 175.302 176.094 0.281 0.000 1.028 210 V CA -0.366 62.028 62.300 0.156 0.000 0.860 210 V CB 1.313 33.206 31.823 0.117 0.000 0.991 210 V HN 0.809 nan 8.190 nan 0.000 0.427 211 F N 4.324 124.315 119.950 0.068 0.000 2.458 211 F HA 0.724 5.250 4.527 -0.001 0.000 0.336 211 F C -0.426 175.359 175.800 -0.026 0.000 1.114 211 F CA -0.274 57.803 58.000 0.129 0.000 0.987 211 F CB 1.219 40.383 39.000 0.273 0.000 1.130 211 F HN 0.654 nan 8.300 nan 0.000 0.458 212 H N 4.577 123.088 119.070 -0.932 0.000 3.289 212 H HA 0.233 4.788 4.556 -0.001 0.000 0.330 212 H C -1.769 173.234 175.328 -0.542 0.000 1.187 212 H CA -0.634 55.033 56.048 -0.634 0.000 1.601 212 H CB 0.515 30.270 29.762 -0.013 0.000 1.997 212 H HN 0.708 nan 8.280 nan 0.000 0.489 213 D N 1.639 121.716 120.400 -0.538 0.000 2.636 213 D HA 0.126 4.766 4.640 -0.001 0.000 0.275 213 D C -0.731 175.513 176.300 -0.094 0.000 1.130 213 D CA -0.522 53.356 54.000 -0.204 0.000 1.031 213 D CB 1.884 42.547 40.800 -0.228 0.000 1.451 213 D HN 0.462 nan 8.370 nan 0.000 0.505 214 D N -0.449 119.958 120.400 0.012 0.000 2.493 214 D HA 0.191 4.831 4.640 -0.001 0.000 0.240 214 D C 1.203 177.482 176.300 -0.036 0.000 1.142 214 D CA 0.224 54.244 54.000 0.033 0.000 0.872 214 D CB 0.963 41.878 40.800 0.191 0.000 1.173 214 D HN 0.479 nan 8.370 nan 0.000 0.467 215 G N 2.000 110.758 108.800 -0.071 0.000 2.484 215 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.218 215 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.218 215 G C 1.185 176.153 174.900 0.113 0.000 1.130 215 G CA 0.251 45.340 45.100 -0.018 0.000 0.784 215 G HN 0.345 nan 8.290 nan 0.000 0.543 216 E N 0.709 120.930 120.200 0.036 0.000 2.409 216 E HA 0.009 4.358 4.350 -0.001 0.000 0.198 216 E C 2.302 178.679 176.600 -0.372 0.000 1.024 216 E CA 0.478 56.881 56.400 0.005 0.000 0.861 216 E CB 0.013 29.854 29.700 0.235 0.000 0.788 216 E HN 0.383 nan 8.360 nan 0.000 0.521 217 K N -0.182 119.741 120.400 -0.795 0.000 2.283 217 K HA -0.053 4.267 4.320 -0.001 0.000 0.202 217 K C 0.013 176.163 176.600 -0.749 0.000 1.048 217 K CA 0.596 56.136 56.287 -1.244 0.000 0.948 217 K CB -0.044 31.598 32.500 -1.431 0.000 0.742 217 K HN 0.190 nan 8.250 nan 0.000 0.458 218 F N 0.488 120.293 119.950 -0.243 0.000 2.640 218 F HA 0.229 4.755 4.527 -0.001 0.000 0.331 218 F C 1.222 177.154 175.800 0.221 0.000 1.200 218 F CA -0.137 57.833 58.000 -0.049 0.000 1.278 218 F CB 0.669 39.762 39.000 0.154 0.000 1.571 218 F HN 0.135 nan 8.300 nan 0.000 0.576 219 G N -1.018 107.958 108.800 0.294 0.000 3.288 219 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.195 219 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.195 219 G C 0.784 175.882 174.900 0.331 0.000 1.093 219 G CA 0.101 45.497 45.100 0.493 0.000 0.852 219 G HN 0.136 nan 8.290 nan 0.000 0.453 220 V N 0.727 120.771 119.914 0.216 0.000 2.331 220 V HA 0.214 4.333 4.120 -0.001 0.000 0.242 220 V C 1.587 177.880 176.094 0.331 0.000 1.034 220 V CA 1.131 63.558 62.300 0.212 0.000 1.027 220 V CB -0.581 31.340 31.823 0.164 0.000 0.667 220 V HN 0.341 nan 8.190 nan 0.000 0.457 221 W N 0.660 122.000 121.300 0.067 0.000 2.364 221 W HA 0.163 4.823 4.660 -0.001 0.000 0.343 221 W C -2.125 174.434 176.519 0.066 0.000 1.237 221 W CA -2.261 55.122 57.345 0.064 0.000 1.319 221 W CB -1.441 28.078 29.460 0.098 0.000 1.179 221 W HN 0.089 nan 8.180 nan 0.000 0.578 222 P HA 0.027 nan 4.420 nan 0.000 0.252 222 P C 0.796 178.182 177.300 0.143 0.000 1.147 222 P CA 2.378 65.549 63.100 0.118 0.000 0.779 222 P CB -0.185 31.527 31.700 0.021 0.000 0.733 223 G N 2.875 111.763 108.800 0.145 0.000 2.155 223 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.257 223 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.257 223 G C 0.954 175.972 174.900 0.198 0.000 0.983 223 G CA 0.749 45.941 45.100 0.153 0.000 0.676 223 G HN 0.572 nan 8.290 nan 0.000 0.528 224 T N -3.854 110.834 114.554 0.224 0.000 3.054 224 T HA 0.092 4.441 4.350 -0.001 0.000 0.259 224 T C 1.829 176.647 174.700 0.196 0.000 1.092 224 T CA 1.371 63.581 62.100 0.183 0.000 1.121 224 T CB -0.060 68.871 68.868 0.104 0.000 0.912 224 T HN 0.523 nan 8.240 nan 0.000 0.489 225 Y N 1.844 122.258 120.300 0.189 0.000 2.242 225 Y HA 0.079 4.629 4.550 -0.001 0.000 0.291 225 Y C 2.472 178.508 175.900 0.226 0.000 1.137 225 Y CA 1.563 59.824 58.100 0.268 0.000 1.181 225 Y CB -0.104 38.484 38.460 0.215 0.000 0.989 225 Y HN 0.273 nan 8.280 nan 0.000 0.527 226 E N -0.578 119.755 120.200 0.221 0.000 2.072 226 E HA -0.234 4.115 4.350 -0.001 0.000 0.190 226 E C 2.112 178.757 176.600 0.075 0.000 0.982 226 E CA 1.116 57.600 56.400 0.139 0.000 0.803 226 E CB -0.610 29.209 29.700 0.199 0.000 0.755 226 E HN 0.709 nan 8.360 nan 0.000 0.453 227 W N 0.828 122.094 121.300 -0.056 0.000 2.418 227 W HA -0.114 4.546 4.660 -0.001 0.000 0.292 227 W C 1.529 177.954 176.519 -0.156 0.000 1.213 227 W CA 0.943 58.234 57.345 -0.091 0.000 1.283 227 W CB 0.091 29.485 29.460 -0.109 0.000 1.119 227 W HN -0.056 nan 8.180 nan 0.000 0.542 228 V N 0.010 119.764 119.914 -0.267 0.000 2.446 228 V HA -0.236 3.884 4.120 -0.001 0.000 0.244 228 V C 1.598 177.252 176.094 -0.734 0.000 1.039 228 V CA 1.711 63.686 62.300 -0.541 0.000 1.045 228 V CB -0.938 30.483 31.823 -0.669 0.000 0.681 228 V HN 0.072 nan 8.190 nan 0.000 0.459 229 Y N -0.088 120.018 120.300 -0.322 0.000 2.506 229 Y HA 0.145 4.694 4.550 -0.001 0.000 0.287 229 Y C 2.512 178.226 175.900 -0.309 0.000 1.147 229 Y CA 0.331 58.210 58.100 -0.368 0.000 1.241 229 Y CB -0.074 38.030 38.460 -0.593 0.000 1.279 229 Y HN 0.103 nan 8.280 nan 0.000 0.527 230 E N 0.930 121.016 120.200 -0.190 0.000 2.153 230 E HA -0.165 4.185 4.350 -0.001 0.000 0.194 230 E C 1.236 177.781 176.600 -0.091 0.000 0.988 230 E CA 1.185 57.538 56.400 -0.079 0.000 0.811 230 E CB -0.104 29.597 29.700 0.001 0.000 0.746 230 E HN 0.424 nan 8.360 nan 0.000 0.466 231 K N -0.692 119.607 120.400 -0.168 0.000 2.358 231 K HA 0.118 4.437 4.320 -0.001 0.000 0.197 231 K C 0.741 177.169 176.600 -0.286 0.000 1.025 231 K CA 0.406 56.560 56.287 -0.222 0.000 1.104 231 K CB 1.120 33.444 32.500 -0.293 0.000 0.855 231 K HN 0.186 nan 8.250 nan 0.000 0.531 232 G N 1.419 110.066 108.800 -0.255 0.000 2.179 232 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.257 232 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.257 232 G C 0.437 175.152 174.900 -0.308 0.000 1.010 232 G CA 0.453 45.409 45.100 -0.241 0.000 0.736 232 G HN 0.588 nan 8.290 nan 0.000 0.513 233 W N -0.184 120.756 121.300 -0.599 0.000 2.335 233 W HA -0.061 4.599 4.660 -0.001 0.000 0.311 233 W C 2.192 178.456 176.519 -0.424 0.000 1.213 233 W CA 2.047 59.046 57.345 -0.576 0.000 1.274 233 W CB -0.209 28.791 29.460 -0.767 0.000 1.148 233 W HN 0.235 nan 8.180 nan 0.000 0.498 234 L N 1.261 122.418 121.223 -0.111 0.000 2.046 234 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 234 L C 2.519 178.962 176.870 -0.712 0.000 1.077 234 L CA 2.215 56.830 54.840 -0.374 0.000 0.747 234 L CB -1.265 40.507 42.059 -0.478 0.000 0.896 234 L HN 0.130 nan 8.230 nan 0.000 0.432 235 R N -0.206 120.015 120.500 -0.465 0.000 2.073 235 R HA -0.222 4.118 4.340 -0.001 0.000 0.234 235 R C 2.204 178.260 176.300 -0.407 0.000 1.134 235 R CA 1.814 57.716 56.100 -0.330 0.000 0.952 235 R CB -0.164 30.096 30.300 -0.068 0.000 0.850 235 R HN 0.430 nan 8.270 nan 0.000 0.433 236 E N -0.618 119.345 120.200 -0.396 0.000 2.077 236 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 236 E C 1.712 178.009 176.600 -0.506 0.000 0.989 236 E CA 1.255 57.418 56.400 -0.396 0.000 0.800 236 E CB -0.150 29.302 29.700 -0.414 0.000 0.746 236 E HN 0.294 nan 8.360 nan 0.000 0.452 237 F N 0.414 119.836 119.950 -0.881 0.000 2.084 237 F HA -0.190 4.337 4.527 -0.001 0.000 0.296 237 F C 1.844 177.321 175.800 -0.538 0.000 1.111 237 F CA 1.261 58.730 58.000 -0.886 0.000 1.224 237 F CB -0.361 37.823 39.000 -1.360 0.000 0.991 237 F HN 0.037 nan 8.300 nan 0.000 0.471 238 F N 0.912 120.332 119.950 -0.882 0.000 2.202 238 F HA -0.165 4.361 4.527 -0.001 0.000 0.301 238 F C 2.375 177.538 175.800 -1.061 0.000 1.082 238 F CA 1.528 58.876 58.000 -1.087 0.000 1.313 238 F CB -1.486 36.710 39.000 -1.340 0.000 1.024 238 F HN 0.153 nan 8.300 nan 0.000 0.495 239 D N -0.254 119.691 120.400 -0.760 0.000 2.103 239 D HA -0.080 4.560 4.640 -0.001 0.000 0.199 239 D C 2.261 178.384 176.300 -0.294 0.000 0.978 239 D CA 1.329 55.116 54.000 -0.356 0.000 0.829 239 D CB -0.116 40.612 40.800 -0.120 0.000 0.981 239 D HN 0.074 nan 8.370 nan 0.000 0.464 240 A N 0.517 123.111 122.820 -0.377 0.000 1.873 240 A HA -0.100 4.220 4.320 -0.001 0.000 0.215 240 A C 2.274 179.632 177.584 -0.377 0.000 1.186 240 A CA 0.888 52.726 52.037 -0.332 0.000 0.616 240 A CB -0.716 18.082 19.000 -0.337 0.000 0.823 240 A HN 0.332 nan 8.150 nan 0.000 0.442 241 I N 1.038 121.262 120.570 -0.577 0.000 2.335 241 I HA -0.174 3.995 4.170 -0.001 0.000 0.251 241 I C 2.371 178.289 176.117 -0.332 0.000 1.129 241 I CA 2.236 63.207 61.300 -0.549 0.000 1.402 241 I CB -1.302 36.184 38.000 -0.856 0.000 1.069 241 I HN 0.560 nan 8.210 nan 0.000 0.424 242 T N -3.074 111.300 114.554 -0.300 0.000 3.107 242 T HA 0.087 4.436 4.350 -0.001 0.000 0.249 242 T C 0.985 175.614 174.700 -0.117 0.000 1.096 242 T CA 0.490 62.483 62.100 -0.180 0.000 1.012 242 T CB -0.308 68.477 68.868 -0.139 0.000 0.977 242 T HN 0.340 nan 8.240 nan 0.000 0.527 243 S N 0.281 115.902 115.700 -0.131 0.000 2.977 243 S HA 0.314 4.784 4.470 -0.001 0.000 0.250 243 S C -0.289 174.252 174.600 -0.098 0.000 1.005 243 S CA -0.884 57.260 58.200 -0.092 0.000 1.081 243 S CB -0.245 62.912 63.200 -0.072 0.000 1.018 243 S HN 0.313 nan 8.310 nan 0.000 0.539 244 N N 2.562 121.194 118.700 -0.114 0.000 2.446 244 N HA 0.157 4.897 4.740 -0.001 0.000 0.265 244 N C 0.905 176.365 175.510 -0.083 0.000 0.975 244 N CA -0.260 52.725 53.050 -0.107 0.000 0.928 244 N CB 1.682 40.086 38.487 -0.139 0.000 1.160 244 N HN 0.583 nan 8.380 nan 0.000 0.495 245 E N 2.603 122.763 120.200 -0.066 0.000 2.267 245 E HA -0.176 4.174 4.350 -0.001 0.000 0.197 245 E C 0.400 176.969 176.600 -0.050 0.000 0.998 245 E CA 1.241 57.610 56.400 -0.051 0.000 0.830 245 E CB 0.043 29.717 29.700 -0.043 0.000 0.751 245 E HN 0.496 nan 8.360 nan 0.000 0.491 246 K N 0.393 120.755 120.400 -0.064 0.000 2.444 246 K HA 0.233 4.552 4.320 -0.001 0.000 0.193 246 K C 0.148 176.703 176.600 -0.075 0.000 1.024 246 K CA 0.173 56.419 56.287 -0.068 0.000 1.077 246 K CB 0.441 32.894 32.500 -0.079 0.000 0.833 246 K HN 0.169 nan 8.250 nan 0.000 0.517 247 I N 1.488 122.013 120.570 -0.075 0.000 2.410 247 I HA 0.102 4.271 4.170 -0.001 0.000 0.286 247 I C -0.738 175.366 176.117 -0.022 0.000 1.009 247 I CA -0.637 60.624 61.300 -0.065 0.000 1.111 247 I CB 1.501 39.429 38.000 -0.119 0.000 1.262 247 I HN 0.059 nan 8.210 nan 0.000 0.443 248 N N 7.025 125.737 118.700 0.020 0.000 2.485 248 N HA 0.300 5.040 4.740 -0.001 0.000 0.243 248 N C -1.005 174.552 175.510 0.079 0.000 0.987 248 N CA -0.705 52.370 53.050 0.042 0.000 0.940 248 N CB 1.090 39.613 38.487 0.061 0.000 1.122 248 N HN 0.395 nan 8.380 nan 0.000 0.509 249 L N 5.407 126.662 121.223 0.054 0.000 2.380 249 L HA 0.447 4.786 4.340 -0.001 0.000 0.273 249 L C -0.183 176.694 176.870 0.013 0.000 1.138 249 L CA 0.246 55.116 54.840 0.049 0.000 0.832 249 L CB 0.799 42.858 42.059 0.000 0.000 1.124 249 L HN 0.621 nan 8.230 nan 0.000 0.454 250 M N 1.693 121.278 119.600 -0.025 0.000 2.949 250 M HA 0.532 5.012 4.480 -0.001 0.000 0.270 250 M C -0.815 175.417 176.300 -0.113 0.000 1.221 250 M CA -0.751 54.536 55.300 -0.021 0.000 0.818 250 M CB 1.648 34.292 32.600 0.073 0.000 1.635 250 M HN 0.485 nan 8.290 nan 0.000 0.492 251 T N -2.239 112.274 114.554 -0.067 0.000 2.944 251 T HA 0.506 4.855 4.350 -0.001 0.000 0.284 251 T C 0.553 175.187 174.700 -0.109 0.000 1.010 251 T CA -0.466 61.558 62.100 -0.126 0.000 1.025 251 T CB 0.992 69.865 68.868 0.009 0.000 1.079 251 T HN 0.639 nan 8.240 nan 0.000 0.516 252 Y N 0.783 120.970 120.300 -0.188 0.000 2.114 252 Y HA -0.176 4.373 4.550 -0.001 0.000 0.282 252 Y C 3.259 179.082 175.900 -0.128 0.000 1.165 252 Y CA 1.831 59.666 58.100 -0.441 0.000 1.148 252 Y CB -0.514 37.437 38.460 -0.847 0.000 0.972 252 Y HN 0.617 nan 8.280 nan 0.000 0.504 253 S N -0.555 115.287 115.700 0.237 0.000 2.402 253 S HA -0.211 4.258 4.470 -0.001 0.000 0.229 253 S C 1.895 176.623 174.600 0.214 0.000 1.021 253 S CA 1.284 59.655 58.200 0.286 0.000 0.974 253 S CB -0.253 63.174 63.200 0.379 0.000 0.800 253 S HN 0.524 nan 8.310 nan 0.000 0.484 254 E N 0.055 120.363 120.200 0.179 0.000 2.072 254 E HA -0.197 4.152 4.350 -0.001 0.000 0.191 254 E C 1.869 178.548 176.600 0.131 0.000 0.985 254 E CA 0.905 57.380 56.400 0.124 0.000 0.801 254 E CB -0.255 29.504 29.700 0.098 0.000 0.750 254 E HN 0.635 nan 8.360 nan 0.000 0.452 255 Y N 1.308 121.678 120.300 0.117 0.000 2.097 255 Y HA -0.196 4.354 4.550 -0.001 0.000 0.282 255 Y C 1.999 178.040 175.900 0.235 0.000 1.152 255 Y CA 1.871 60.111 58.100 0.234 0.000 1.136 255 Y CB -0.172 38.462 38.460 0.291 0.000 0.975 255 Y HN 0.032 nan 8.280 nan 0.000 0.498 256 L N 0.134 121.600 121.223 0.404 0.000 2.456 256 L HA -0.143 4.197 4.340 -0.001 0.000 0.224 256 L C 2.395 179.319 176.870 0.091 0.000 1.148 256 L CA 1.230 56.239 54.840 0.281 0.000 0.825 256 L CB -0.688 41.570 42.059 0.331 0.000 0.937 256 L HN 0.378 nan 8.230 nan 0.000 0.450 257 S N -1.179 114.538 115.700 0.029 0.000 2.501 257 S HA -0.010 4.459 4.470 -0.001 0.000 0.220 257 S C 1.725 176.220 174.600 -0.174 0.000 0.997 257 S CA 0.102 58.283 58.200 -0.033 0.000 0.919 257 S CB 0.168 63.362 63.200 -0.009 0.000 0.778 257 S HN 0.422 nan 8.310 nan 0.000 0.523 258 K N -0.535 119.650 120.400 -0.359 0.000 2.329 258 K HA 0.348 4.667 4.320 -0.001 0.000 0.198 258 K C -0.587 175.422 176.600 -0.985 0.000 1.085 258 K CA 0.312 56.145 56.287 -0.758 0.000 0.961 258 K CB 0.337 32.168 32.500 -1.115 0.000 0.971 258 K HN 0.359 nan 8.250 nan 0.000 0.502 259 F N 1.029 120.787 119.950 -0.320 0.000 2.577 259 F HA 0.275 4.802 4.527 -0.001 0.000 0.318 259 F C 0.456 176.186 175.800 -0.117 0.000 1.065 259 F CA -1.289 56.549 58.000 -0.271 0.000 0.929 259 F CB 1.647 40.359 39.000 -0.480 0.000 1.237 259 F HN -0.181 nan 8.300 nan 0.000 0.468 260 T N -1.115 113.527 114.554 0.147 0.000 2.945 260 T HA 0.625 4.974 4.350 -0.001 0.000 0.286 260 T C -2.740 171.955 174.700 -0.008 0.000 1.025 260 T CA -2.382 59.763 62.100 0.073 0.000 1.039 260 T CB 1.485 70.404 68.868 0.084 0.000 1.068 260 T HN 0.160 nan 8.240 nan 0.000 0.497 261 P HA 0.202 nan 4.420 nan 0.000 0.268 261 P C 0.522 177.630 177.300 -0.320 0.000 1.208 261 P CA -0.486 62.342 63.100 -0.454 0.000 0.777 261 P CB 0.517 31.557 31.700 -1.100 0.000 0.875 262 R N 1.039 121.280 120.500 -0.432 0.000 2.276 262 R HA 0.202 4.541 4.340 -0.001 0.000 0.196 262 R C 0.577 176.641 176.300 -0.393 0.000 0.961 262 R CA 0.766 56.585 56.100 -0.468 0.000 1.024 262 R CB -0.146 29.741 30.300 -0.688 0.000 0.940 262 R HN 0.709 nan 8.270 nan 0.000 0.480 263 G N 0.176 108.798 108.800 -0.296 0.000 2.317 263 G HA2 0.242 4.202 3.960 -0.001 0.000 0.293 263 G HA3 0.242 4.202 3.960 -0.001 0.000 0.293 263 G C -2.396 172.667 174.900 0.272 0.000 1.287 263 G CA -0.773 44.346 45.100 0.032 0.000 0.850 263 G HN 0.086 nan 8.290 nan 0.000 0.515 264 L N 0.139 121.528 121.223 0.278 0.000 2.346 264 L HA 0.928 5.268 4.340 -0.001 0.000 0.276 264 L C -0.570 176.368 176.870 0.113 0.000 1.006 264 L CA -0.899 54.053 54.840 0.188 0.000 0.817 264 L CB 1.755 43.867 42.059 0.088 0.000 1.272 264 L HN 1.017 nan 8.230 nan 0.000 0.421 265 V N 4.635 124.508 119.914 -0.068 0.000 3.087 265 V HA 0.564 4.684 4.120 -0.001 0.000 0.306 265 V C -1.741 174.124 176.094 -0.381 0.000 1.187 265 V CA -0.448 61.770 62.300 -0.137 0.000 0.999 265 V CB 2.339 34.050 31.823 -0.185 0.000 1.049 265 V HN 0.645 nan 8.190 nan 0.000 0.431 266 Y N 4.917 125.170 120.300 -0.078 0.000 2.335 266 Y HA 0.660 5.209 4.550 -0.001 0.000 0.338 266 Y C 0.107 175.925 175.900 -0.136 0.000 0.977 266 Y CA -0.609 57.454 58.100 -0.061 0.000 1.114 266 Y CB 1.716 40.176 38.460 -0.001 0.000 1.182 266 Y HN 0.449 nan 8.280 nan 0.000 0.463 267 L N 6.269 127.447 121.223 -0.075 0.000 2.325 267 L HA 0.526 4.865 4.340 -0.001 0.000 0.279 267 L C -2.011 174.930 176.870 0.119 0.000 1.054 267 L CA -1.976 52.755 54.840 -0.182 0.000 0.804 267 L CB 0.909 42.559 42.059 -0.681 0.000 1.200 267 L HN 0.417 nan 8.230 nan 0.000 0.436 268 P HA 0.222 nan 4.420 nan 0.000 0.277 268 P C -0.549 176.873 177.300 0.202 0.000 1.271 268 P CA -0.468 62.693 63.100 0.102 0.000 0.795 268 P CB 1.152 32.854 31.700 0.003 0.000 1.101 269 I N 0.492 121.133 120.570 0.120 0.000 2.347 269 I HA 0.385 4.554 4.170 -0.001 0.000 0.294 269 I C 0.614 176.766 176.117 0.058 0.000 1.090 269 I CA 0.309 61.673 61.300 0.108 0.000 1.314 269 I CB -0.135 37.877 38.000 0.021 0.000 1.423 269 I HN 0.452 nan 8.210 nan 0.000 0.503 270 A N 4.430 127.311 122.820 0.102 0.000 2.581 270 A HA 0.803 5.123 4.320 -0.001 0.000 0.290 270 A C -0.117 177.497 177.584 0.050 0.000 1.119 270 A CA 0.007 52.045 52.037 0.001 0.000 0.670 270 A CB 1.420 20.336 19.000 -0.140 0.000 1.280 270 A HN 0.569 nan 8.150 nan 0.000 0.425 271 S N -1.409 114.298 115.700 0.012 0.000 4.238 271 S HA 0.612 5.081 4.470 -0.001 0.000 0.167 271 S C -0.194 174.459 174.600 0.088 0.000 0.921 271 S CA 0.690 58.925 58.200 0.058 0.000 1.128 271 S CB -0.231 62.889 63.200 -0.133 0.000 1.636 271 S HN 1.884 nan 8.310 nan 0.000 0.753 272 Y N -1.536 118.651 120.300 -0.188 0.000 2.609 272 Y HA 0.728 5.277 4.550 -0.001 0.000 0.336 272 Y C 0.532 176.133 175.900 -0.499 0.000 1.129 272 Y CA -1.786 55.962 58.100 -0.587 0.000 1.040 272 Y CB 0.233 38.473 38.460 -0.366 0.000 1.310 272 Y HN 0.154 nan 8.280 nan 0.000 0.460 273 F N 1.895 121.488 119.950 -0.595 0.000 2.045 273 F HA -0.242 4.285 4.527 -0.001 0.000 0.297 273 F C 1.818 177.467 175.800 -0.251 0.000 1.114 273 F CA 2.797 60.673 58.000 -0.207 0.000 1.207 273 F CB -0.014 38.948 39.000 -0.063 0.000 0.964 273 F HN 0.793 nan 8.300 nan 0.000 0.486 274 E N -0.448 119.636 120.200 -0.194 0.000 2.085 274 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 274 E C 2.243 177.989 176.600 -1.423 0.000 0.994 274 E CA 1.469 57.408 56.400 -0.767 0.000 0.801 274 E CB -0.492 28.765 29.700 -0.737 0.000 0.743 274 E HN 0.305 nan 8.360 nan 0.000 0.453 275 M N 0.750 119.619 119.600 -1.218 0.000 2.108 275 M HA -0.150 4.329 4.480 -0.001 0.000 0.261 275 M C 2.303 178.248 176.300 -0.592 0.000 1.066 275 M CA 1.995 56.760 55.300 -0.891 0.000 1.107 275 M CB -1.146 30.779 32.600 -1.125 0.000 1.356 275 M HN 0.247 nan 8.290 nan 0.000 0.406 276 S N -0.894 114.420 115.700 -0.642 0.000 2.442 276 S HA -0.177 4.293 4.470 -0.001 0.000 0.236 276 S C 1.773 175.889 174.600 -0.806 0.000 1.007 276 S CA 1.515 59.344 58.200 -0.618 0.000 0.965 276 S CB -0.439 62.425 63.200 -0.560 0.000 0.773 276 S HN 0.626 nan 8.310 nan 0.000 0.504 277 E N 0.143 119.820 120.200 -0.871 0.000 2.033 277 E HA -0.086 4.263 4.350 -0.001 0.000 0.189 277 E C 1.653 178.033 176.600 -0.368 0.000 0.979 277 E CA 1.016 56.951 56.400 -0.774 0.000 0.802 277 E CB -0.204 29.217 29.700 -0.465 0.000 0.763 277 E HN 0.686 nan 8.360 nan 0.000 0.449 278 W N 1.338 122.526 121.300 -0.186 0.000 2.350 278 W HA -0.119 4.541 4.660 -0.001 0.000 0.289 278 W C 2.588 178.959 176.519 -0.247 0.000 1.215 278 W CA 1.298 58.648 57.345 0.009 0.000 1.236 278 W CB -1.370 28.297 29.460 0.346 0.000 1.130 278 W HN 0.229 nan 8.180 nan 0.000 0.541 279 S N -0.012 115.430 115.700 -0.430 0.000 2.515 279 S HA -0.006 4.463 4.470 -0.001 0.000 0.231 279 S C 0.844 175.029 174.600 -0.692 0.000 0.987 279 S CA 0.296 57.816 58.200 -1.134 0.000 0.936 279 S CB -0.758 61.860 63.200 -0.971 0.000 0.766 279 S HN 0.043 nan 8.310 nan 0.000 0.528 280 L N 3.058 124.009 121.223 -0.453 0.000 2.371 280 L HA 0.375 4.714 4.340 -0.001 0.000 0.272 280 L C -2.109 174.627 176.870 -0.223 0.000 1.124 280 L CA -2.493 52.152 54.840 -0.324 0.000 0.816 280 L CB 0.280 42.149 42.059 -0.316 0.000 1.129 280 L HN 0.033 nan 8.230 nan 0.000 0.448 281 P HA -0.048 nan 4.420 nan 0.000 0.266 281 P C 0.267 177.541 177.300 -0.042 0.000 1.195 281 P CA -0.034 63.030 63.100 -0.061 0.000 0.768 281 P CB 0.907 32.645 31.700 0.063 0.000 0.838 282 A N 4.349 127.151 122.820 -0.030 0.000 1.909 282 A HA -0.302 4.018 4.320 -0.001 0.000 0.221 282 A C 2.254 179.935 177.584 0.161 0.000 1.223 282 A CA 2.616 54.637 52.037 -0.027 0.000 0.658 282 A CB -1.495 17.441 19.000 -0.106 0.000 0.831 282 A HN 0.630 nan 8.150 nan 0.000 0.462 283 K N -1.693 118.884 120.400 0.295 0.000 2.063 283 K HA -0.249 4.071 4.320 -0.001 0.000 0.208 283 K C 2.324 179.034 176.600 0.184 0.000 1.048 283 K CA 1.880 58.354 56.287 0.312 0.000 0.928 283 K CB -0.128 32.489 32.500 0.194 0.000 0.713 283 K HN 0.471 nan 8.250 nan 0.000 0.442 284 Q N -0.265 119.592 119.800 0.096 0.000 2.187 284 Q HA 0.062 4.401 4.340 -0.001 0.000 0.199 284 Q C 1.631 177.661 176.000 0.050 0.000 0.957 284 Q CA 1.422 57.256 55.803 0.053 0.000 0.857 284 Q CB -0.027 28.707 28.738 -0.007 0.000 0.929 284 Q HN 0.394 nan 8.270 nan 0.000 0.453 285 A N 0.154 122.954 122.820 -0.033 0.000 1.969 285 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 285 A C 1.925 179.546 177.584 0.062 0.000 1.169 285 A CA 1.751 53.699 52.037 -0.149 0.000 0.635 285 A CB -0.399 18.240 19.000 -0.601 0.000 0.810 285 A HN 0.246 nan 8.150 nan 0.000 0.445 286 K N 0.385 120.896 120.400 0.185 0.000 2.026 286 K HA -0.019 4.300 4.320 -0.001 0.000 0.208 286 K C 1.780 178.531 176.600 0.253 0.000 1.048 286 K CA 1.657 58.132 56.287 0.314 0.000 0.929 286 K CB -0.754 31.998 32.500 0.421 0.000 0.713 286 K HN 0.386 nan 8.250 nan 0.000 0.439 287 L N -0.151 121.196 121.223 0.207 0.000 2.042 287 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 287 L C 2.215 179.218 176.870 0.222 0.000 1.076 287 L CA 1.540 56.483 54.840 0.172 0.000 0.749 287 L CB -0.341 41.789 42.059 0.117 0.000 0.893 287 L HN 0.283 nan 8.230 nan 0.000 0.432 288 F N -0.327 119.678 119.950 0.091 0.000 2.075 288 F HA -0.218 4.308 4.527 -0.001 0.000 0.297 288 F C 2.206 178.118 175.800 0.186 0.000 1.113 288 F CA 1.905 59.982 58.000 0.128 0.000 1.218 288 F CB -0.446 38.558 39.000 0.008 0.000 0.984 288 F HN -0.196 nan 8.300 nan 0.000 0.472 289 V N 0.534 120.596 119.914 0.247 0.000 2.332 289 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 289 V C 2.291 178.435 176.094 0.082 0.000 1.055 289 V CA 2.313 64.710 62.300 0.162 0.000 1.038 289 V CB -0.723 31.280 31.823 0.300 0.000 0.651 289 V HN 0.375 nan 8.190 nan 0.000 0.450 290 E N -0.763 119.519 120.200 0.138 0.000 2.058 290 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 290 E C 2.087 178.767 176.600 0.134 0.000 0.997 290 E CA 1.632 58.108 56.400 0.127 0.000 0.801 290 E CB -0.240 29.548 29.700 0.146 0.000 0.746 290 E HN 0.574 nan 8.360 nan 0.000 0.450 291 F N 1.394 121.311 119.950 -0.054 0.000 2.046 291 F HA -0.204 4.322 4.527 -0.001 0.000 0.297 291 F C 2.169 177.915 175.800 -0.090 0.000 1.123 291 F CA 1.046 59.005 58.000 -0.068 0.000 1.199 291 F CB -0.655 38.289 39.000 -0.093 0.000 0.972 291 F HN -0.211 nan 8.300 nan 0.000 0.474 292 V N 0.509 120.247 119.914 -0.292 0.000 2.688 292 V HA -0.232 3.888 4.120 -0.001 0.000 0.256 292 V C 2.379 178.268 176.094 -0.342 0.000 1.084 292 V CA 1.878 63.940 62.300 -0.396 0.000 1.103 292 V CB -0.635 30.956 31.823 -0.386 0.000 0.688 292 V HN 0.307 nan 8.190 nan 0.000 0.480 293 E N -0.255 119.837 120.200 -0.179 0.000 2.033 293 E HA -0.189 4.160 4.350 -0.001 0.000 0.189 293 E C 2.205 178.756 176.600 -0.081 0.000 0.979 293 E CA 1.020 57.349 56.400 -0.120 0.000 0.802 293 E CB -0.286 29.395 29.700 -0.033 0.000 0.763 293 E HN 0.653 nan 8.360 nan 0.000 0.449 294 Q N 0.457 120.241 119.800 -0.026 0.000 2.181 294 Q HA -0.123 4.217 4.340 -0.001 0.000 0.205 294 Q C 2.327 178.320 176.000 -0.012 0.000 0.980 294 Q CA 0.895 56.705 55.803 0.012 0.000 0.862 294 Q CB -0.017 28.770 28.738 0.081 0.000 0.905 294 Q HN 0.214 nan 8.270 nan 0.000 0.429 295 L N -0.035 121.142 121.223 -0.077 0.000 2.072 295 L HA -0.172 4.168 4.340 -0.001 0.000 0.205 295 L C 2.382 179.258 176.870 0.009 0.000 1.079 295 L CA 1.167 55.983 54.840 -0.039 0.000 0.752 295 L CB -0.258 41.741 42.059 -0.100 0.000 0.906 295 L HN 0.113 nan 8.230 nan 0.000 0.436 296 K N -0.091 120.262 120.400 -0.078 0.000 2.097 296 K HA -0.212 4.107 4.320 -0.001 0.000 0.205 296 K C 2.017 178.591 176.600 -0.043 0.000 1.050 296 K CA 1.210 57.446 56.287 -0.085 0.000 0.938 296 K CB -0.057 32.301 32.500 -0.238 0.000 0.718 296 K HN 0.270 nan 8.250 nan 0.000 0.442 297 E N 1.436 121.612 120.200 -0.040 0.000 2.110 297 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 297 E C 0.777 177.377 176.600 0.000 0.000 0.988 297 E CA 1.247 57.636 56.400 -0.018 0.000 0.804 297 E CB 0.201 29.896 29.700 -0.008 0.000 0.745 297 E HN 0.304 nan 8.360 nan 0.000 0.458 298 E N -0.931 119.277 120.200 0.013 0.000 2.437 298 E HA 0.125 4.475 4.350 -0.001 0.000 0.189 298 E C 0.568 177.183 176.600 0.025 0.000 1.054 298 E CA 0.243 56.658 56.400 0.026 0.000 0.874 298 E CB 0.602 30.329 29.700 0.044 0.000 1.011 298 E HN 0.428 nan 8.360 nan 0.000 0.474 299 G N 2.326 111.136 108.800 0.017 0.000 2.258 299 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.274 299 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.274 299 G C 0.926 175.829 174.900 0.005 0.000 1.021 299 G CA 0.564 45.670 45.100 0.010 0.000 0.798 299 G HN 0.146 nan 8.290 nan 0.000 0.507 300 K N -1.166 119.260 120.400 0.043 0.000 2.352 300 K HA 0.235 4.554 4.320 -0.001 0.000 0.194 300 K C 1.810 178.429 176.600 0.033 0.000 1.038 300 K CA 0.082 56.395 56.287 0.042 0.000 1.023 300 K CB -0.026 32.583 32.500 0.182 0.000 0.840 300 K HN 0.398 nan 8.250 nan 0.000 0.519 301 F N 3.363 123.258 119.950 -0.090 0.000 2.069 301 F HA -0.189 4.337 4.527 -0.001 0.000 0.298 301 F C 1.922 177.637 175.800 -0.142 0.000 1.113 301 F CA 1.719 59.648 58.000 -0.119 0.000 1.214 301 F CB -0.014 38.894 39.000 -0.153 0.000 0.978 301 F HN 0.061 nan 8.300 nan 0.000 0.474 302 E N 0.105 120.225 120.200 -0.133 0.000 2.114 302 E HA -0.317 4.033 4.350 -0.001 0.000 0.199 302 E C 1.873 178.279 176.600 -0.323 0.000 1.008 302 E CA 2.014 58.281 56.400 -0.222 0.000 0.810 302 E CB -0.354 29.275 29.700 -0.119 0.000 0.739 302 E HN 0.579 nan 8.360 nan 0.000 0.456 303 K N -0.855 119.326 120.400 -0.366 0.000 2.361 303 K HA 0.017 4.336 4.320 -0.001 0.000 0.194 303 K C 0.917 177.280 176.600 -0.395 0.000 1.032 303 K CA 0.506 56.547 56.287 -0.410 0.000 1.048 303 K CB 0.276 32.490 32.500 -0.477 0.000 0.842 303 K HN 0.191 nan 8.250 nan 0.000 0.526 304 Y N 1.597 121.754 120.300 -0.239 0.000 2.481 304 Y HA 0.228 4.777 4.550 -0.001 0.000 0.247 304 Y C 1.965 177.658 175.900 -0.345 0.000 1.151 304 Y CA -0.896 57.107 58.100 -0.162 0.000 1.238 304 Y CB 0.569 39.043 38.460 0.023 0.000 1.179 304 Y HN 0.046 nan 8.280 nan 0.000 0.524 305 R N 0.664 120.874 120.500 -0.484 0.000 2.105 305 R HA -0.139 4.200 4.340 -0.001 0.000 0.239 305 R C 1.692 177.813 176.300 -0.298 0.000 1.135 305 R CA 1.893 57.617 56.100 -0.627 0.000 0.967 305 R CB -1.348 28.334 30.300 -1.029 0.000 0.861 305 R HN 0.301 nan 8.270 nan 0.000 0.442 306 V N -1.797 117.851 119.914 -0.443 0.000 3.026 306 V HA -0.051 4.069 4.120 -0.001 0.000 0.265 306 V C 1.251 177.166 176.094 -0.298 0.000 1.121 306 V CA 1.133 63.176 62.300 -0.430 0.000 1.142 306 V CB -0.938 30.511 31.823 -0.623 0.000 0.730 306 V HN 0.295 nan 8.190 nan 0.000 0.503 307 F N -0.135 119.844 119.950 0.048 0.000 2.639 307 F HA 0.517 5.044 4.527 -0.001 0.000 0.302 307 F C 0.403 176.289 175.800 0.144 0.000 1.097 307 F CA -0.424 57.618 58.000 0.070 0.000 1.294 307 F CB 0.915 39.947 39.000 0.054 0.000 1.027 307 F HN -0.048 nan 8.300 nan 0.000 0.550 308 V N 1.752 121.860 119.914 0.324 0.000 2.444 308 V HA 0.541 4.661 4.120 -0.001 0.000 0.294 308 V C -0.284 176.121 176.094 0.519 0.000 1.022 308 V CA -0.662 61.909 62.300 0.452 0.000 0.850 308 V CB 1.768 33.862 31.823 0.453 0.000 0.992 308 V HN 0.181 nan 8.190 nan 0.000 0.426 309 R N 2.025 122.781 120.500 0.426 0.000 2.710 309 R HA 0.637 4.977 4.340 -0.001 0.000 0.270 309 R C 0.184 176.477 176.300 -0.013 0.000 1.021 309 R CA -0.448 55.766 56.100 0.190 0.000 0.889 309 R CB 2.522 32.870 30.300 0.080 0.000 1.243 309 R HN 0.786 nan 8.270 nan 0.000 0.464 310 G N -0.015 108.486 108.800 -0.499 0.000 3.227 310 G HA2 0.494 4.453 3.960 -0.001 0.000 0.171 310 G HA3 0.494 4.453 3.960 -0.001 0.000 0.171 310 G C 0.113 174.777 174.900 -0.394 0.000 1.463 310 G CA 0.054 44.763 45.100 -0.653 0.000 1.016 310 G HN 0.536 nan 8.290 nan 0.000 0.594 311 G N -0.753 107.788 108.800 -0.433 0.000 2.510 311 G HA2 0.517 4.477 3.960 -0.001 0.000 0.280 311 G HA3 0.517 4.477 3.960 -0.001 0.000 0.280 311 G C -0.167 174.549 174.900 -0.306 0.000 1.386 311 G CA -0.200 44.696 45.100 -0.340 0.000 1.047 311 G HN 0.968 nan 8.290 nan 0.000 0.527 312 I N -4.295 116.113 120.570 -0.269 0.000 2.797 312 I HA 0.460 4.629 4.170 -0.001 0.000 0.307 312 I C 0.833 176.830 176.117 -0.199 0.000 1.033 312 I CA -1.168 60.023 61.300 -0.182 0.000 1.071 312 I CB 2.220 40.156 38.000 -0.105 0.000 1.255 312 I HN 0.675 nan 8.210 nan 0.000 0.445 313 W N 3.689 124.834 121.300 -0.259 0.000 2.302 313 W HA -0.206 4.453 4.660 -0.001 0.000 0.320 313 W C 1.977 178.373 176.519 -0.205 0.000 1.241 313 W CA 1.793 59.021 57.345 -0.195 0.000 1.264 313 W CB 0.081 29.415 29.460 -0.210 0.000 1.154 313 W HN 0.527 nan 8.180 nan 0.000 0.483 314 K N -0.137 120.246 120.400 -0.028 0.000 2.519 314 K HA -0.205 4.114 4.320 -0.001 0.000 0.196 314 K C 1.301 177.682 176.600 -0.366 0.000 1.041 314 K CA 1.162 57.291 56.287 -0.264 0.000 0.954 314 K CB -0.517 32.029 32.500 0.077 0.000 0.774 314 K HN 0.203 nan 8.250 nan 0.000 0.480 315 N N 0.269 118.754 118.700 -0.358 0.000 2.521 315 N HA -0.010 4.729 4.740 -0.001 0.000 0.188 315 N C 0.842 176.162 175.510 -0.318 0.000 1.146 315 N CA 0.336 53.220 53.050 -0.277 0.000 0.893 315 N CB -0.021 38.272 38.487 -0.323 0.000 0.975 315 N HN 0.085 nan 8.380 nan 0.000 0.451 316 F N -0.770 118.862 119.950 -0.529 0.000 2.293 316 F HA -0.000 4.526 4.527 -0.001 0.000 0.300 316 F C 1.198 176.883 175.800 -0.191 0.000 1.086 316 F CA 0.775 58.520 58.000 -0.425 0.000 1.375 316 F CB -0.142 38.485 39.000 -0.621 0.000 1.045 316 F HN 0.135 nan 8.300 nan 0.000 0.516 317 F N -2.067 117.910 119.950 0.046 0.000 2.502 317 F HA -0.182 4.345 4.527 -0.001 0.000 0.298 317 F C 2.076 177.939 175.800 0.104 0.000 1.111 317 F CA 0.224 58.264 58.000 0.067 0.000 1.445 317 F CB -0.340 38.653 39.000 -0.011 0.000 1.081 317 F HN 0.006 nan 8.300 nan 0.000 0.558 318 F N 1.087 121.088 119.950 0.085 0.000 2.317 318 F HA 0.042 4.568 4.527 -0.001 0.000 0.290 318 F C 2.291 178.067 175.800 -0.041 0.000 1.075 318 F CA 1.080 59.092 58.000 0.020 0.000 1.380 318 F CB -0.330 38.642 39.000 -0.046 0.000 1.093 318 F HN -0.301 nan 8.300 nan 0.000 0.524 319 K N -0.575 119.775 120.400 -0.083 0.000 2.097 319 K HA -0.134 4.185 4.320 -0.001 0.000 0.205 319 K C -0.461 175.886 176.600 -0.422 0.000 1.050 319 K CA 1.199 57.278 56.287 -0.347 0.000 0.938 319 K CB -0.195 31.993 32.500 -0.519 0.000 0.718 319 K HN 0.336 nan 8.250 nan 0.000 0.442 320 Y N -0.039 120.313 120.300 0.087 0.000 2.447 320 Y HA 0.232 4.782 4.550 -0.001 0.000 0.325 320 Y C -2.023 173.936 175.900 0.098 0.000 0.976 320 Y CA -2.585 55.564 58.100 0.082 0.000 1.280 320 Y CB 1.878 40.403 38.460 0.108 0.000 1.104 320 Y HN 0.064 nan 8.280 nan 0.000 0.486 321 P HA -0.192 nan 4.420 nan 0.000 0.216 321 P C 0.815 178.243 177.300 0.214 0.000 1.150 321 P CA 1.566 64.744 63.100 0.130 0.000 0.843 321 P CB 0.452 32.174 31.700 0.037 0.000 0.787 322 E N -0.992 119.342 120.200 0.223 0.000 2.150 322 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 322 E C 2.174 178.965 176.600 0.318 0.000 0.985 322 E CA 1.212 57.772 56.400 0.266 0.000 0.814 322 E CB -1.111 28.685 29.700 0.160 0.000 0.752 322 E HN 0.133 nan 8.360 nan 0.000 0.466 323 S N 0.307 116.197 115.700 0.316 0.000 2.368 323 S HA -0.185 4.285 4.470 -0.001 0.000 0.224 323 S C 1.932 176.806 174.600 0.457 0.000 1.029 323 S CA 1.462 59.909 58.200 0.412 0.000 0.988 323 S CB -0.278 63.226 63.200 0.506 0.000 0.838 323 S HN 0.248 nan 8.310 nan 0.000 0.462 324 N N 0.386 119.313 118.700 0.378 0.000 2.084 324 N HA -0.106 4.633 4.740 -0.001 0.000 0.190 324 N C 1.506 177.071 175.510 0.092 0.000 1.030 324 N CA 1.783 54.921 53.050 0.147 0.000 0.849 324 N CB -0.711 37.877 38.487 0.169 0.000 1.012 324 N HN 0.449 nan 8.380 nan 0.000 0.423 325 F N 0.999 120.988 119.950 0.065 0.000 2.095 325 F HA -0.134 4.392 4.527 -0.001 0.000 0.298 325 F C 2.458 178.297 175.800 0.065 0.000 1.104 325 F CA 1.753 59.788 58.000 0.058 0.000 1.232 325 F CB -0.632 38.450 39.000 0.136 0.000 0.987 325 F HN 0.151 nan 8.300 nan 0.000 0.475 326 M N -0.712 118.954 119.600 0.109 0.000 2.080 326 M HA -0.291 4.189 4.480 -0.001 0.000 0.260 326 M C 2.579 178.750 176.300 -0.214 0.000 1.068 326 M CA 2.223 57.401 55.300 -0.203 0.000 1.109 326 M CB -0.843 31.704 32.600 -0.089 0.000 1.342 326 M HN 0.362 nan 8.290 nan 0.000 0.405 327 H N 0.262 119.296 119.070 -0.060 0.000 2.387 327 H HA -0.123 4.432 4.556 -0.001 0.000 0.299 327 H C 1.408 176.519 175.328 -0.363 0.000 1.090 327 H CA 1.448 57.381 56.048 -0.191 0.000 1.332 327 H CB 0.201 29.623 29.762 -0.567 0.000 1.386 327 H HN 0.288 nan 8.280 nan 0.000 0.516 328 K N 0.630 120.762 120.400 -0.446 0.000 2.228 328 K HA -0.005 4.315 4.320 -0.001 0.000 0.202 328 K C 2.238 178.540 176.600 -0.497 0.000 1.051 328 K CA 0.254 56.219 56.287 -0.537 0.000 0.960 328 K CB 0.013 32.184 32.500 -0.547 0.000 0.743 328 K HN 0.280 nan 8.250 nan 0.000 0.458 329 R N 0.791 120.970 120.500 -0.535 0.000 2.148 329 R HA -0.034 4.305 4.340 -0.001 0.000 0.223 329 R C 2.253 178.348 176.300 -0.342 0.000 1.088 329 R CA 1.031 56.864 56.100 -0.445 0.000 0.985 329 R CB -0.421 29.573 30.300 -0.510 0.000 0.880 329 R HN 0.314 nan 8.270 nan 0.000 0.451 330 M N -0.381 118.988 119.600 -0.385 0.000 2.156 330 M HA -0.040 4.439 4.480 -0.001 0.000 0.264 330 M C 1.864 178.005 176.300 -0.265 0.000 1.067 330 M CA 1.766 56.890 55.300 -0.293 0.000 1.131 330 M CB -0.717 31.729 32.600 -0.257 0.000 1.368 330 M HN -0.063 nan 8.290 nan 0.000 0.416 331 L N -0.299 120.708 121.223 -0.360 0.000 2.017 331 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 331 L C 2.921 179.695 176.870 -0.159 0.000 1.073 331 L CA 1.930 56.611 54.840 -0.266 0.000 0.745 331 L CB -0.830 41.048 42.059 -0.302 0.000 0.894 331 L HN 0.542 nan 8.230 nan 0.000 0.432 332 M N -0.230 119.264 119.600 -0.176 0.000 2.073 332 M HA -0.239 4.241 4.480 -0.001 0.000 0.258 332 M C 2.199 178.456 176.300 -0.072 0.000 1.070 332 M CA 1.981 57.219 55.300 -0.104 0.000 1.103 332 M CB -0.051 32.473 32.600 -0.128 0.000 1.321 332 M HN 0.060 nan 8.290 nan 0.000 0.405 333 V N -0.561 119.300 119.914 -0.088 0.000 2.453 333 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 333 V C 2.478 178.546 176.094 -0.043 0.000 1.048 333 V CA 1.925 64.195 62.300 -0.050 0.000 1.049 333 V CB -0.645 31.148 31.823 -0.049 0.000 0.672 333 V HN 0.653 nan 8.190 nan 0.000 0.457 334 S N -0.305 115.357 115.700 -0.064 0.000 2.370 334 S HA -0.311 4.159 4.470 -0.001 0.000 0.226 334 S C 2.147 176.727 174.600 -0.035 0.000 1.033 334 S CA 2.305 60.475 58.200 -0.050 0.000 1.011 334 S CB -0.274 62.887 63.200 -0.065 0.000 0.852 334 S HN 0.616 nan 8.310 nan 0.000 0.457 335 K N 0.310 120.690 120.400 -0.034 0.000 2.057 335 K HA 0.053 4.372 4.320 -0.001 0.000 0.206 335 K C 2.169 178.763 176.600 -0.011 0.000 1.050 335 K CA 1.087 57.364 56.287 -0.017 0.000 0.935 335 K CB -0.497 31.998 32.500 -0.009 0.000 0.715 335 K HN 0.405 nan 8.250 nan 0.000 0.439 336 A N 0.712 123.526 122.820 -0.010 0.000 2.015 336 A HA -0.071 4.249 4.320 -0.001 0.000 0.219 336 A C 1.789 179.373 177.584 -0.001 0.000 1.163 336 A CA 1.541 53.579 52.037 0.000 0.000 0.646 336 A CB -0.221 18.784 19.000 0.008 0.000 0.806 336 A HN 0.299 nan 8.150 nan 0.000 0.448 337 V N -3.786 116.121 119.914 -0.013 0.000 3.319 337 V HA 0.310 4.430 4.120 -0.001 0.000 0.317 337 V C 1.585 177.655 176.094 -0.040 0.000 1.411 337 V CA 0.570 62.852 62.300 -0.029 0.000 1.112 337 V CB -0.605 31.194 31.823 -0.040 0.000 1.031 337 V HN 0.429 nan 8.190 nan 0.000 0.448 338 R N 1.509 121.993 120.500 -0.027 0.000 2.133 338 R HA -0.213 4.127 4.340 -0.001 0.000 0.247 338 R C 1.286 177.568 176.300 -0.029 0.000 1.151 338 R CA 2.707 58.792 56.100 -0.026 0.000 0.971 338 R CB -0.189 30.102 30.300 -0.016 0.000 0.866 338 R HN 0.650 nan 8.270 nan 0.000 0.447 339 D N -0.842 119.542 120.400 -0.027 0.000 2.339 339 D HA 0.007 4.646 4.640 -0.001 0.000 0.217 339 D C -0.290 175.986 176.300 -0.039 0.000 1.050 339 D CA 0.245 54.230 54.000 -0.026 0.000 0.856 339 D CB 0.182 40.973 40.800 -0.015 0.000 0.922 339 D HN 0.058 nan 8.370 nan 0.000 0.518 340 N N 0.763 119.425 118.700 -0.063 0.000 2.699 340 N HA 0.126 4.865 4.740 -0.001 0.000 0.232 340 N C -1.991 173.436 175.510 -0.138 0.000 1.027 340 N CA -1.977 51.012 53.050 -0.101 0.000 0.920 340 N CB 1.496 39.902 38.487 -0.135 0.000 1.148 340 N HN -0.191 nan 8.380 nan 0.000 0.509 341 P HA -0.192 nan 4.420 nan 0.000 0.216 341 P C 1.003 178.215 177.300 -0.148 0.000 1.157 341 P CA 1.306 64.345 63.100 -0.101 0.000 0.880 341 P CB 0.448 32.108 31.700 -0.068 0.000 0.791 342 E N -0.935 119.155 120.200 -0.184 0.000 2.150 342 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 342 E C 1.849 178.217 176.600 -0.387 0.000 0.985 342 E CA 1.080 57.350 56.400 -0.217 0.000 0.814 342 E CB -0.386 29.244 29.700 -0.117 0.000 0.752 342 E HN 0.114 nan 8.360 nan 0.000 0.466 343 A N 0.849 123.297 122.820 -0.619 0.000 1.975 343 A HA -0.026 4.293 4.320 -0.001 0.000 0.215 343 A C 2.113 179.621 177.584 -0.126 0.000 1.170 343 A CA 0.751 52.440 52.037 -0.580 0.000 0.656 343 A CB -0.272 18.324 19.000 -0.673 0.000 0.821 343 A HN 0.127 nan 8.150 nan 0.000 0.449 344 R N 0.040 120.454 120.500 -0.142 0.000 2.115 344 R HA -0.130 4.209 4.340 -0.001 0.000 0.230 344 R C 2.206 178.463 176.300 -0.073 0.000 1.111 344 R CA 1.432 57.487 56.100 -0.074 0.000 0.976 344 R CB -0.136 30.121 30.300 -0.072 0.000 0.870 344 R HN 0.343 nan 8.270 nan 0.000 0.445 345 K N 0.361 120.679 120.400 -0.137 0.000 2.074 345 K HA -0.221 4.098 4.320 -0.001 0.000 0.209 345 K C 1.614 178.074 176.600 -0.234 0.000 1.048 345 K CA 1.771 57.935 56.287 -0.205 0.000 0.926 345 K CB -0.409 31.899 32.500 -0.320 0.000 0.713 345 K HN 0.340 nan 8.250 nan 0.000 0.444 346 Y N -0.057 120.206 120.300 -0.062 0.000 2.220 346 Y HA -0.146 4.404 4.550 -0.001 0.000 0.291 346 Y C 2.329 178.173 175.900 -0.094 0.000 1.129 346 Y CA 0.687 58.753 58.100 -0.057 0.000 1.161 346 Y CB -0.147 38.325 38.460 0.020 0.000 0.997 346 Y HN 0.005 nan 8.280 nan 0.000 0.522 347 I N 0.101 120.716 120.570 0.075 0.000 2.361 347 I HA -0.257 3.913 4.170 -0.001 0.000 0.251 347 I C 1.874 177.970 176.117 -0.034 0.000 1.133 347 I CA 1.343 62.648 61.300 0.009 0.000 1.413 347 I CB -0.449 37.547 38.000 -0.005 0.000 1.073 347 I HN 0.169 nan 8.210 nan 0.000 0.424 348 L N -0.369 120.815 121.223 -0.065 0.000 2.083 348 L HA -0.223 4.116 4.340 -0.001 0.000 0.209 348 L C 2.428 179.162 176.870 -0.226 0.000 1.083 348 L CA 1.305 56.110 54.840 -0.058 0.000 0.752 348 L CB -0.743 41.324 42.059 0.014 0.000 0.899 348 L HN 0.135 nan 8.230 nan 0.000 0.433 349 K N 0.326 120.420 120.400 -0.510 0.000 2.147 349 K HA -0.121 4.199 4.320 -0.001 0.000 0.205 349 K C 2.040 178.547 176.600 -0.155 0.000 1.049 349 K CA 1.286 57.170 56.287 -0.672 0.000 0.936 349 K CB -0.218 32.006 32.500 -0.460 0.000 0.722 349 K HN 0.275 nan 8.250 nan 0.000 0.446 350 A N 1.120 123.906 122.820 -0.057 0.000 2.209 350 A HA -0.128 4.191 4.320 -0.001 0.000 0.212 350 A C 1.401 179.074 177.584 0.149 0.000 1.158 350 A CA 0.855 52.903 52.037 0.019 0.000 0.742 350 A CB -0.192 18.793 19.000 -0.024 0.000 0.790 350 A HN 0.328 nan 8.150 nan 0.000 0.472 351 Q N -1.238 118.657 119.800 0.159 0.000 2.320 351 Q HA 0.107 4.447 4.340 -0.001 0.000 0.201 351 Q C 0.307 176.516 176.000 0.349 0.000 0.910 351 Q CA -0.414 55.543 55.803 0.256 0.000 0.946 351 Q CB -0.108 28.725 28.738 0.158 0.000 1.062 351 Q HN 0.570 nan 8.270 nan 0.000 0.503 352 C N 2.957 122.463 119.300 0.343 0.000 2.590 352 C HA -0.032 4.428 4.460 -0.001 0.000 0.411 352 C C 1.806 177.067 174.990 0.451 0.000 1.420 352 C CA -0.018 59.213 59.018 0.355 0.000 1.643 352 C CB -0.574 27.351 27.740 0.307 0.000 2.528 352 C HN 0.714 nan 8.230 nan 0.000 0.606 353 N N 3.360 122.321 118.700 0.435 0.000 2.120 353 N HA -0.159 4.581 4.740 -0.001 0.000 0.188 353 N C 1.135 177.074 175.510 0.714 0.000 1.024 353 N CA 2.134 55.551 53.050 0.612 0.000 0.852 353 N CB -0.354 38.370 38.487 0.395 0.000 1.003 353 N HN 0.777 nan 8.380 nan 0.000 0.424 354 D N 0.669 121.337 120.400 0.448 0.000 2.191 354 D HA -0.270 4.369 4.640 -0.001 0.000 0.190 354 D C 1.640 177.811 176.300 -0.215 0.000 1.007 354 D CA 2.015 56.075 54.000 0.099 0.000 0.865 354 D CB -0.426 40.404 40.800 0.050 0.000 0.929 354 D HN 0.618 nan 8.370 nan 0.000 0.447 355 A N -0.272 122.470 122.820 -0.130 0.000 2.206 355 A HA -0.090 4.230 4.320 -0.001 0.000 0.211 355 A C 1.389 178.791 177.584 -0.303 0.000 1.158 355 A CA 0.425 52.274 52.037 -0.312 0.000 0.761 355 A CB -0.567 18.214 19.000 -0.366 0.000 0.801 355 A HN 0.281 nan 8.150 nan 0.000 0.473 356 Y N -0.950 119.409 120.300 0.099 0.000 2.511 356 Y HA 0.099 4.648 4.550 -0.001 0.000 0.279 356 Y C 0.938 176.863 175.900 0.043 0.000 1.157 356 Y CA 0.002 58.216 58.100 0.189 0.000 1.300 356 Y CB 0.143 38.873 38.460 0.449 0.000 1.052 356 Y HN 0.686 nan 8.280 nan 0.000 0.529 357 W N -1.539 119.628 121.300 -0.221 0.000 3.039 357 W HA 0.582 5.242 4.660 -0.001 0.000 0.354 357 W C -1.689 174.602 176.519 -0.380 0.000 1.206 357 W CA -1.129 55.785 57.345 -0.718 0.000 1.134 357 W CB 0.846 29.343 29.460 -1.605 0.000 1.493 357 W HN -0.176 nan 8.180 nan 0.000 0.591 358 H N -0.297 118.610 119.070 -0.272 0.000 3.017 358 H HA 0.453 5.008 4.556 -0.001 0.000 0.340 358 H C 0.078 175.477 175.328 0.118 0.000 1.014 358 H CA 0.342 56.312 56.048 -0.131 0.000 1.341 358 H CB 1.659 31.507 29.762 0.143 0.000 1.739 358 H HN 0.651 nan 8.280 nan 0.000 0.506 359 G N 1.893 110.252 108.800 -0.735 0.000 2.722 359 G HA2 0.094 4.054 3.960 -0.001 0.000 0.201 359 G HA3 0.094 4.054 3.960 -0.001 0.000 0.201 359 G C 0.807 174.738 174.900 -1.615 0.000 1.926 359 G CA 0.512 44.751 45.100 -1.435 0.000 0.872 359 G HN 0.730 nan 8.290 nan 0.000 0.581 360 V N -3.703 115.386 119.914 -1.375 0.000 3.431 360 V HA 0.590 4.709 4.120 -0.001 0.000 0.253 360 V C 0.248 175.885 176.094 -0.761 0.000 1.184 360 V CA 0.188 61.875 62.300 -1.021 0.000 1.104 360 V CB -0.122 31.331 31.823 -0.616 0.000 0.799 360 V HN 0.338 nan 8.190 nan 0.000 0.462 361 F N 0.216 119.721 119.950 -0.741 0.000 2.665 361 F HA 0.732 5.258 4.527 -0.001 0.000 0.308 361 F C 0.306 175.971 175.800 -0.226 0.000 1.112 361 F CA 0.256 58.047 58.000 -0.348 0.000 0.972 361 F CB 1.190 39.998 39.000 -0.320 0.000 1.295 361 F HN 0.588 nan 8.300 nan 0.000 0.440 362 G N 2.721 110.711 108.800 -1.350 0.000 2.509 362 G HA2 0.322 4.281 3.960 -0.001 0.000 0.259 362 G HA3 0.322 4.281 3.960 -0.001 0.000 0.259 362 G C 1.010 175.634 174.900 -0.461 0.000 1.169 362 G CA 0.792 45.233 45.100 -1.098 0.000 0.953 362 G HN 2.735 nan 8.290 nan 0.000 0.563 363 G N -0.784 107.673 108.800 -0.572 0.000 2.574 363 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.286 363 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.286 363 G C 1.365 175.985 174.900 -0.466 0.000 1.212 363 G CA 1.454 46.194 45.100 -0.600 0.000 0.979 363 G HN 2.127 nan 8.290 nan 0.000 0.557 364 I N -0.010 120.278 120.570 -0.470 0.000 2.623 364 I HA -0.111 4.058 4.170 -0.001 0.000 0.261 364 I C 2.225 178.016 176.117 -0.543 0.000 1.204 364 I CA 1.828 62.829 61.300 -0.498 0.000 1.444 364 I CB -0.108 37.535 38.000 -0.596 0.000 1.094 364 I HN 0.507 nan 8.210 nan 0.000 0.451 365 Y N 0.507 120.532 120.300 -0.459 0.000 2.529 365 Y HA 0.149 4.699 4.550 -0.001 0.000 0.290 365 Y C 0.563 176.274 175.900 -0.315 0.000 1.177 365 Y CA 0.062 57.924 58.100 -0.397 0.000 1.305 365 Y CB 0.131 38.300 38.460 -0.485 0.000 1.047 365 Y HN 0.034 nan 8.280 nan 0.000 0.522 366 L N 1.877 122.942 121.223 -0.263 0.000 2.270 366 L HA 0.197 4.536 4.340 -0.001 0.000 0.286 366 L C -1.688 175.002 176.870 -0.300 0.000 1.059 366 L CA -1.736 52.937 54.840 -0.277 0.000 0.839 366 L CB 1.059 42.830 42.059 -0.481 0.000 1.221 366 L HN -0.055 nan 8.230 nan 0.000 0.431 367 P HA -0.250 nan 4.420 nan 0.000 0.218 367 P C 1.454 178.711 177.300 -0.072 0.000 1.154 367 P CA 1.542 64.493 63.100 -0.249 0.000 0.872 367 P CB -0.059 31.288 31.700 -0.588 0.000 0.790 368 H N -1.265 117.762 119.070 -0.071 0.000 2.491 368 H HA 0.029 4.584 4.556 -0.001 0.000 0.290 368 H C 1.761 177.045 175.328 -0.074 0.000 1.050 368 H CA 0.880 56.914 56.048 -0.022 0.000 1.309 368 H CB -1.196 28.542 29.762 -0.039 0.000 1.392 368 H HN 0.187 nan 8.280 nan 0.000 0.554 369 L N 0.066 120.901 121.223 -0.646 0.000 2.209 369 L HA 0.040 4.379 4.340 -0.001 0.000 0.207 369 L C 3.076 179.808 176.870 -0.231 0.000 1.094 369 L CA 0.518 55.093 54.840 -0.442 0.000 0.790 369 L CB -0.251 41.487 42.059 -0.535 0.000 0.932 369 L HN 0.138 nan 8.230 nan 0.000 0.447 370 R N 0.280 120.662 120.500 -0.196 0.000 2.075 370 R HA -0.097 4.242 4.340 -0.001 0.000 0.232 370 R C 2.437 178.794 176.300 0.095 0.000 1.126 370 R CA 1.163 57.219 56.100 -0.074 0.000 0.963 370 R CB -0.022 30.264 30.300 -0.024 0.000 0.858 370 R HN 0.288 nan 8.270 nan 0.000 0.435 371 R N -0.812 119.761 120.500 0.121 0.000 2.120 371 R HA -0.066 4.274 4.340 -0.001 0.000 0.234 371 R C 2.112 178.504 176.300 0.154 0.000 1.123 371 R CA 1.652 57.868 56.100 0.194 0.000 0.975 371 R CB -0.272 30.146 30.300 0.197 0.000 0.866 371 R HN 0.166 nan 8.270 nan 0.000 0.446 372 T N 0.496 115.102 114.554 0.086 0.000 2.746 372 T HA -0.088 4.262 4.350 -0.001 0.000 0.267 372 T C 1.953 176.682 174.700 0.048 0.000 1.039 372 T CA 1.198 63.345 62.100 0.078 0.000 1.142 372 T CB -0.076 68.829 68.868 0.062 0.000 0.866 372 T HN -0.005 nan 8.240 nan 0.000 0.444 373 V N -0.300 119.600 119.914 -0.023 0.000 2.270 373 V HA -0.146 3.973 4.120 -0.001 0.000 0.245 373 V C 2.077 178.093 176.094 -0.130 0.000 1.043 373 V CA 1.442 63.666 62.300 -0.126 0.000 1.014 373 V CB -0.682 30.943 31.823 -0.330 0.000 0.645 373 V HN 0.595 nan 8.190 nan 0.000 0.447 374 W N 0.396 121.682 121.300 -0.024 0.000 2.363 374 W HA -0.174 4.485 4.660 -0.001 0.000 0.296 374 W C 2.571 179.077 176.519 -0.021 0.000 1.212 374 W CA 1.735 59.070 57.345 -0.017 0.000 1.260 374 W CB -0.120 29.333 29.460 -0.010 0.000 1.131 374 W HN 0.301 nan 8.180 nan 0.000 0.530 375 E N 0.618 120.943 120.200 0.208 0.000 2.058 375 E HA -0.275 4.075 4.350 -0.001 0.000 0.194 375 E C 1.509 178.138 176.600 0.049 0.000 0.997 375 E CA 1.872 58.337 56.400 0.109 0.000 0.801 375 E CB -0.434 29.324 29.700 0.096 0.000 0.746 375 E HN 0.396 nan 8.360 nan 0.000 0.450 376 N N -0.031 118.703 118.700 0.057 0.000 2.331 376 N HA -0.048 4.692 4.740 -0.001 0.000 0.180 376 N C 1.881 177.408 175.510 0.028 0.000 1.019 376 N CA 0.843 53.930 53.050 0.060 0.000 0.881 376 N CB 0.046 38.587 38.487 0.092 0.000 0.972 376 N HN 0.195 nan 8.380 nan 0.000 0.435 377 I N 0.705 121.275 120.570 0.000 0.000 2.202 377 I HA -0.238 3.931 4.170 -0.001 0.000 0.242 377 I C 1.829 177.964 176.117 0.030 0.000 1.091 377 I CA 1.097 62.383 61.300 -0.024 0.000 1.368 377 I CB -0.173 37.752 38.000 -0.125 0.000 1.058 377 I HN 0.146 nan 8.210 nan 0.000 0.410 378 I N 0.614 121.224 120.570 0.067 0.000 2.142 378 I HA -0.298 3.871 4.170 -0.001 0.000 0.240 378 I C 2.425 178.509 176.117 -0.054 0.000 1.078 378 I CA 1.487 62.810 61.300 0.039 0.000 1.343 378 I CB -0.448 37.579 38.000 0.045 0.000 1.046 378 I HN 0.133 nan 8.210 nan 0.000 0.405 379 K N 0.825 121.130 120.400 -0.158 0.000 2.211 379 K HA -0.148 4.172 4.320 -0.001 0.000 0.204 379 K C 2.145 178.621 176.600 -0.208 0.000 1.047 379 K CA 1.358 57.413 56.287 -0.387 0.000 0.935 379 K CB -0.162 31.802 32.500 -0.894 0.000 0.728 379 K HN 0.363 nan 8.250 nan 0.000 0.452 380 A N 1.055 123.869 122.820 -0.011 0.000 1.874 380 A HA -0.180 4.139 4.320 -0.001 0.000 0.214 380 A C 2.084 179.781 177.584 0.188 0.000 1.189 380 A CA 1.092 53.233 52.037 0.173 0.000 0.615 380 A CB -0.390 18.680 19.000 0.118 0.000 0.830 380 A HN 0.305 nan 8.150 nan 0.000 0.443 381 Q N 0.307 120.163 119.800 0.094 0.000 2.167 381 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 381 Q C 2.022 178.073 176.000 0.085 0.000 0.970 381 Q CA 1.566 57.420 55.803 0.085 0.000 0.855 381 Q CB -0.201 28.570 28.738 0.056 0.000 0.911 381 Q HN 0.748 nan 8.270 nan 0.000 0.438 382 R N -1.209 119.311 120.500 0.034 0.000 2.249 382 R HA -0.178 4.162 4.340 -0.001 0.000 0.230 382 R C 1.102 177.375 176.300 -0.044 0.000 1.121 382 R CA 1.553 57.626 56.100 -0.045 0.000 0.997 382 R CB -0.652 29.558 30.300 -0.149 0.000 0.867 382 R HN 0.314 nan 8.270 nan 0.000 0.465 383 Y N 1.144 121.437 120.300 -0.012 0.000 2.561 383 Y HA 0.151 4.700 4.550 -0.001 0.000 0.291 383 Y C 0.844 176.751 175.900 0.013 0.000 1.141 383 Y CA 0.228 58.334 58.100 0.010 0.000 1.303 383 Y CB 0.261 38.740 38.460 0.032 0.000 1.015 383 Y HN -0.037 nan 8.280 nan 0.000 0.547 384 L N 0.432 121.747 121.223 0.153 0.000 2.360 384 L HA 0.279 4.618 4.340 -0.001 0.000 0.271 384 L C 0.053 176.960 176.870 0.062 0.000 1.057 384 L CA -0.971 53.927 54.840 0.098 0.000 0.803 384 L CB 1.062 43.169 42.059 0.079 0.000 1.207 384 L HN -0.125 nan 8.230 nan 0.000 0.445 385 K N 1.980 122.412 120.400 0.054 0.000 2.368 385 K HA 0.242 4.561 4.320 -0.001 0.000 0.282 385 K C -2.257 174.368 176.600 0.043 0.000 1.035 385 K CA -1.571 54.742 56.287 0.042 0.000 0.973 385 K CB 0.188 32.712 32.500 0.040 0.000 0.957 385 K HN 0.262 nan 8.250 nan 0.000 0.474 386 P HA -0.077 nan 4.420 nan 0.000 0.265 386 P C -1.043 176.286 177.300 0.047 0.000 1.187 386 P CA 0.356 63.485 63.100 0.048 0.000 0.766 386 P CB 0.456 32.188 31.700 0.053 0.000 0.820 387 E N 2.246 122.476 120.200 0.049 0.000 2.406 387 E HA 0.146 4.495 4.350 -0.001 0.000 0.297 387 E C -1.174 175.454 176.600 0.046 0.000 0.917 387 E CA -0.690 55.737 56.400 0.045 0.000 0.795 387 E CB 0.703 30.428 29.700 0.041 0.000 1.285 387 E HN 0.284 nan 8.360 nan 0.000 0.400 388 N N 3.809 122.535 118.700 0.044 0.000 2.520 388 N HA 0.256 4.995 4.740 -0.001 0.000 0.273 388 N C -0.806 174.726 175.510 0.037 0.000 1.155 388 N CA 0.160 53.234 53.050 0.041 0.000 0.967 388 N CB 1.057 39.568 38.487 0.040 0.000 1.092 388 N HN 0.490 nan 8.380 nan 0.000 0.457 389 K N 0.109 120.527 120.400 0.031 0.000 2.551 389 K HA 0.481 4.800 4.320 -0.001 0.000 0.269 389 K C -1.458 175.153 176.600 0.018 0.000 0.949 389 K CA -0.794 55.511 56.287 0.031 0.000 0.849 389 K CB 1.390 33.911 32.500 0.035 0.000 1.411 389 K HN 0.120 nan 8.250 nan 0.000 0.432 390 I N 3.919 124.503 120.570 0.023 0.000 2.339 390 I HA 0.490 4.660 4.170 -0.001 0.000 0.290 390 I C -0.260 175.876 176.117 0.031 0.000 0.994 390 I CA -0.640 60.664 61.300 0.007 0.000 1.191 390 I CB 0.648 38.667 38.000 0.033 0.000 1.343 390 I HN 0.798 nan 8.210 nan 0.000 0.458 391 L N 3.308 124.550 121.223 0.032 0.000 2.724 391 L HA 0.574 4.914 4.340 -0.001 0.000 0.258 391 L C -1.269 175.639 176.870 0.065 0.000 0.967 391 L CA -0.842 54.031 54.840 0.054 0.000 0.891 391 L CB 2.394 44.489 42.059 0.060 0.000 1.456 391 L HN 0.272 nan 8.230 nan 0.000 0.416 392 D N 1.708 122.161 120.400 0.088 0.000 2.374 392 D HA 0.318 4.957 4.640 -0.001 0.000 0.240 392 D C 0.676 177.052 176.300 0.127 0.000 1.229 392 D CA -0.091 53.973 54.000 0.105 0.000 0.895 392 D CB 1.554 42.431 40.800 0.128 0.000 1.046 392 D HN 0.448 nan 8.370 nan 0.000 0.498 393 V N 3.117 123.063 119.914 0.053 0.000 2.323 393 V HA -0.148 3.972 4.120 -0.001 0.000 0.244 393 V C 1.445 177.337 176.094 -0.336 0.000 1.041 393 V CA 1.820 64.075 62.300 -0.075 0.000 1.025 393 V CB -0.408 31.401 31.823 -0.024 0.000 0.656 393 V HN 0.660 nan 8.190 nan 0.000 0.451 394 D N -0.815 119.482 120.400 -0.172 0.000 2.434 394 D HA 0.027 4.666 4.640 -0.001 0.000 0.232 394 D C 0.505 176.725 176.300 -0.133 0.000 1.166 394 D CA -0.774 53.071 54.000 -0.258 0.000 0.830 394 D CB -1.299 39.509 40.800 0.013 0.000 0.960 394 D HN 0.481 nan 8.370 nan 0.000 0.497 395 F N 1.033 120.998 119.950 0.025 0.000 2.943 395 F HA -0.254 4.273 4.527 -0.001 0.000 0.258 395 F C 0.233 176.046 175.800 0.022 0.000 0.995 395 F CA 0.335 58.345 58.000 0.018 0.000 0.896 395 F CB -1.250 37.761 39.000 0.018 0.000 0.821 395 F HN 0.229 nan 8.300 nan 0.000 0.828 396 D N -0.704 119.795 120.400 0.165 0.000 2.469 396 D HA 0.314 4.953 4.640 -0.001 0.000 0.213 396 D C 1.498 177.821 176.300 0.037 0.000 1.135 396 D CA 0.584 54.639 54.000 0.092 0.000 0.834 396 D CB 0.531 41.364 40.800 0.054 0.000 1.009 396 D HN 0.488 nan 8.370 nan 0.000 0.507 397 G N 0.907 109.734 108.800 0.044 0.000 2.179 397 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.260 397 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.260 397 G C 0.106 174.977 174.900 -0.049 0.000 0.977 397 G CA -0.123 44.982 45.100 0.008 0.000 0.641 397 G HN 0.423 nan 8.290 nan 0.000 0.533 398 R N 0.519 120.934 120.500 -0.140 0.000 2.312 398 R HA 0.634 4.973 4.340 -0.001 0.000 0.310 398 R C 0.705 176.835 176.300 -0.282 0.000 1.064 398 R CA -0.063 55.862 56.100 -0.293 0.000 0.983 398 R CB 1.320 31.250 30.300 -0.616 0.000 1.139 398 R HN 0.666 nan 8.270 nan 0.000 0.536 399 A N 2.754 125.529 122.820 -0.076 0.000 2.624 399 A HA -0.107 4.212 4.320 -0.001 0.000 0.231 399 A C 0.108 177.718 177.584 0.044 0.000 1.034 399 A CA 0.506 52.545 52.037 0.003 0.000 0.754 399 A CB 0.156 19.180 19.000 0.040 0.000 0.953 399 A HN 0.616 nan 8.150 nan 0.000 0.509 400 E N -0.012 120.219 120.200 0.052 0.000 2.222 400 E HA 0.697 5.047 4.350 -0.001 0.000 0.267 400 E C -0.643 175.936 176.600 -0.034 0.000 0.963 400 E CA -0.306 56.129 56.400 0.057 0.000 0.837 400 E CB 1.426 31.193 29.700 0.111 0.000 1.183 400 E HN 0.495 nan 8.360 nan 0.000 0.403 401 I N 2.281 122.808 120.570 -0.071 0.000 2.410 401 I HA 0.310 4.479 4.170 -0.001 0.000 0.286 401 I C -0.618 175.480 176.117 -0.032 0.000 1.009 401 I CA -0.342 60.893 61.300 -0.108 0.000 1.111 401 I CB 0.987 38.855 38.000 -0.221 0.000 1.262 401 I HN 0.281 nan 8.210 nan 0.000 0.443 402 M N 6.658 126.258 119.600 0.001 0.000 2.066 402 M HA 0.436 4.916 4.480 -0.001 0.000 0.340 402 M C -0.885 175.432 176.300 0.028 0.000 1.053 402 M CA -0.671 54.649 55.300 0.033 0.000 0.983 402 M CB 1.780 34.414 32.600 0.056 0.000 1.520 402 M HN 0.231 nan 8.290 nan 0.000 0.428 403 V N 3.788 123.718 119.914 0.028 0.000 2.483 403 V HA 0.565 4.685 4.120 -0.001 0.000 0.295 403 V C -0.314 175.821 176.094 0.068 0.000 1.035 403 V CA -0.500 61.821 62.300 0.036 0.000 0.896 403 V CB 1.734 33.566 31.823 0.015 0.000 0.986 403 V HN 0.899 nan 8.190 nan 0.000 0.447 404 E N 3.012 123.259 120.200 0.079 0.000 2.363 404 E HA 0.549 4.899 4.350 -0.001 0.000 0.281 404 E C -1.431 175.233 176.600 0.107 0.000 0.953 404 E CA -0.995 55.469 56.400 0.107 0.000 0.778 404 E CB 2.058 31.815 29.700 0.095 0.000 1.220 404 E HN 0.674 nan 8.360 nan 0.000 0.431 405 N N 0.488 119.272 118.700 0.141 0.000 3.184 405 N HA 0.258 4.998 4.740 -0.001 0.000 0.353 405 N C -0.174 175.397 175.510 0.102 0.000 1.441 405 N CA -0.706 52.419 53.050 0.125 0.000 0.723 405 N CB 0.178 38.761 38.487 0.159 0.000 1.547 405 N HN 0.410 nan 8.380 nan 0.000 0.624 406 D N -1.773 118.675 120.400 0.080 0.000 2.363 406 D HA 0.099 4.738 4.640 -0.001 0.000 0.220 406 D C 0.914 177.201 176.300 -0.022 0.000 0.994 406 D CA 0.836 54.852 54.000 0.028 0.000 0.890 406 D CB -0.027 40.783 40.800 0.017 0.000 0.906 406 D HN 0.744 nan 8.370 nan 0.000 0.530 407 G N -0.820 107.980 108.800 0.001 0.000 2.781 407 G HA2 0.182 4.141 3.960 -0.001 0.000 0.208 407 G HA3 0.182 4.141 3.960 -0.001 0.000 0.208 407 G C 0.238 174.756 174.900 -0.636 0.000 1.099 407 G CA -0.108 44.818 45.100 -0.290 0.000 0.776 407 G HN 0.017 nan 8.290 nan 0.000 0.532 408 F N -0.617 119.380 119.950 0.079 0.000 2.626 408 F HA 0.659 5.186 4.527 -0.001 0.000 0.311 408 F C -0.557 175.284 175.800 0.069 0.000 1.088 408 F CA -1.245 56.810 58.000 0.091 0.000 0.949 408 F CB 1.994 41.075 39.000 0.135 0.000 1.322 408 F HN -0.267 nan 8.300 nan 0.000 0.461 409 I N 1.939 122.667 120.570 0.264 0.000 2.439 409 I HA 0.624 4.794 4.170 -0.001 0.000 0.285 409 I C -0.887 175.320 176.117 0.151 0.000 1.021 409 I CA -0.715 60.685 61.300 0.167 0.000 1.091 409 I CB 1.665 39.742 38.000 0.129 0.000 1.242 409 I HN 0.688 nan 8.210 nan 0.000 0.439 410 A N 4.236 127.117 122.820 0.102 0.000 2.303 410 A HA 0.773 5.092 4.320 -0.001 0.000 0.320 410 A C -0.325 177.280 177.584 0.036 0.000 1.192 410 A CA -0.423 51.632 52.037 0.030 0.000 0.821 410 A CB 0.932 19.900 19.000 -0.054 0.000 1.188 410 A HN 0.576 nan 8.150 nan 0.000 0.492 411 T N 3.677 118.268 114.554 0.062 0.000 2.772 411 T HA 0.530 4.880 4.350 -0.001 0.000 0.288 411 T C -0.188 174.527 174.700 0.026 0.000 0.994 411 T CA 0.135 62.298 62.100 0.106 0.000 0.951 411 T CB 0.108 69.169 68.868 0.322 0.000 0.933 411 T HN 0.470 nan 8.240 nan 0.000 0.447 412 I N 2.912 123.470 120.570 -0.020 0.000 2.460 412 I HA 0.431 4.601 4.170 -0.001 0.000 0.298 412 I C 0.290 176.352 176.117 -0.091 0.000 0.989 412 I CA -0.928 60.337 61.300 -0.059 0.000 1.173 412 I CB 1.881 39.817 38.000 -0.108 0.000 1.338 412 I HN 0.296 nan 8.210 nan 0.000 0.456 413 K N 6.347 126.664 120.400 -0.139 0.000 2.478 413 K HA 0.298 4.618 4.320 -0.001 0.000 0.236 413 K C -2.057 174.353 176.600 -0.316 0.000 1.021 413 K CA -1.456 54.598 56.287 -0.388 0.000 1.010 413 K CB 1.412 33.376 32.500 -0.894 0.000 1.331 413 K HN 0.219 nan 8.250 nan 0.000 0.470 414 P HA -0.235 nan 4.420 nan 0.000 0.217 414 P C 0.833 178.203 177.300 0.116 0.000 1.148 414 P CA 1.299 64.431 63.100 0.054 0.000 0.828 414 P CB 0.079 31.886 31.700 0.178 0.000 0.783 415 H N -3.252 115.866 119.070 0.080 0.000 2.521 415 H HA -0.040 4.516 4.556 -0.001 0.000 0.286 415 H C 0.206 175.629 175.328 0.159 0.000 1.034 415 H CA 0.647 56.759 56.048 0.107 0.000 1.278 415 H CB -1.044 28.764 29.762 0.077 0.000 1.386 415 H HN 0.224 nan 8.280 nan 0.000 0.567 416 Y N 1.118 121.271 120.300 -0.245 0.000 2.863 416 Y HA 0.419 4.968 4.550 -0.001 0.000 0.348 416 Y C 0.966 176.877 175.900 0.019 0.000 1.028 416 Y CA 0.002 58.073 58.100 -0.048 0.000 1.213 416 Y CB 0.474 38.884 38.460 -0.083 0.000 1.120 416 Y HN 0.424 nan 8.280 nan 0.000 0.598 417 G N 2.220 110.978 108.800 -0.070 0.000 2.175 417 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.265 417 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.265 417 G C 1.107 175.556 174.900 -0.751 0.000 0.979 417 G CA 0.339 45.315 45.100 -0.208 0.000 0.663 417 G HN 1.819 nan 8.290 nan 0.000 0.533 418 G N -1.161 107.325 108.800 -0.524 0.000 2.296 418 G HA2 0.052 4.012 3.960 -0.001 0.000 0.282 418 G HA3 0.052 4.012 3.960 -0.001 0.000 0.282 418 G C 0.663 175.381 174.900 -0.303 0.000 1.014 418 G CA 1.546 46.361 45.100 -0.474 0.000 0.812 418 G HN 2.314 nan 8.290 nan 0.000 0.508 419 S N -1.143 114.474 115.700 -0.139 0.000 2.713 419 S HA 0.767 5.237 4.470 -0.001 0.000 0.283 419 S C 0.334 174.901 174.600 -0.055 0.000 1.161 419 S CA -1.120 57.017 58.200 -0.106 0.000 0.999 419 S CB 1.939 65.072 63.200 -0.111 0.000 1.039 419 S HN 0.449 nan 8.310 nan 0.000 0.548 420 I N 1.656 122.119 120.570 -0.178 0.000 2.379 420 I HA 0.182 4.351 4.170 -0.001 0.000 0.290 420 I C -0.149 175.837 176.117 -0.218 0.000 1.063 420 I CA -0.156 61.032 61.300 -0.187 0.000 1.351 420 I CB 0.081 37.879 38.000 -0.337 0.000 1.410 420 I HN 0.615 nan 8.210 nan 0.000 0.505 421 F N 3.697 123.481 119.950 -0.277 0.000 2.746 421 F HA 0.206 4.732 4.527 -0.001 0.000 0.297 421 F C 1.101 176.716 175.800 -0.309 0.000 1.113 421 F CA 0.206 57.993 58.000 -0.356 0.000 1.367 421 F CB 0.397 39.047 39.000 -0.584 0.000 1.111 421 F HN 0.437 nan 8.300 nan 0.000 0.590 422 E N 0.768 120.937 120.200 -0.052 0.000 2.291 422 E HA 0.391 4.741 4.350 -0.001 0.000 0.276 422 E C -1.933 174.636 176.600 -0.051 0.000 0.896 422 E CA -0.675 55.700 56.400 -0.041 0.000 0.774 422 E CB 1.822 31.645 29.700 0.206 0.000 1.227 422 E HN -0.020 nan 8.360 nan 0.000 0.413 423 L N 3.684 124.863 121.223 -0.074 0.000 2.492 423 L HA 0.421 4.761 4.340 -0.001 0.000 0.258 423 L C -1.530 175.407 176.870 0.113 0.000 1.028 423 L CA -0.135 54.727 54.840 0.036 0.000 0.900 423 L CB 1.424 43.473 42.059 -0.017 0.000 1.191 423 L HN 0.349 nan 8.230 nan 0.000 0.459 424 S N 1.539 117.301 115.700 0.103 0.000 2.499 424 S HA 0.450 4.920 4.470 -0.001 0.000 0.279 424 S C 0.007 174.671 174.600 0.106 0.000 1.219 424 S CA -0.315 57.907 58.200 0.035 0.000 1.062 424 S CB 1.296 64.516 63.200 0.034 0.000 0.978 424 S HN 0.625 nan 8.310 nan 0.000 0.489 425 S N 2.723 118.393 115.700 -0.050 0.000 2.411 425 S HA 0.230 4.700 4.470 -0.001 0.000 0.294 425 S C 0.948 175.399 174.600 -0.249 0.000 1.115 425 S CA -0.694 57.380 58.200 -0.211 0.000 1.071 425 S CB 0.211 63.331 63.200 -0.133 0.000 0.967 425 S HN 0.661 nan 8.310 nan 0.000 0.488 426 K N 3.473 123.679 120.400 -0.322 0.000 2.211 426 K HA -0.072 4.247 4.320 -0.001 0.000 0.203 426 K C 2.168 178.647 176.600 -0.202 0.000 1.050 426 K CA 0.827 56.985 56.287 -0.214 0.000 0.945 426 K CB 0.028 32.412 32.500 -0.193 0.000 0.732 426 K HN 0.594 nan 8.250 nan 0.000 0.451 427 R N 1.558 121.915 120.500 -0.238 0.000 2.055 427 R HA -0.045 4.294 4.340 -0.001 0.000 0.226 427 R C 1.594 177.826 176.300 -0.112 0.000 1.135 427 R CA 1.384 57.389 56.100 -0.159 0.000 0.959 427 R CB 0.186 30.398 30.300 -0.147 0.000 0.854 427 R HN -0.044 nan 8.270 nan 0.000 0.431 428 K N -0.191 120.143 120.400 -0.110 0.000 2.418 428 K HA 0.169 4.488 4.320 -0.001 0.000 0.195 428 K C 0.357 176.906 176.600 -0.085 0.000 1.035 428 K CA 0.553 56.793 56.287 -0.079 0.000 1.003 428 K CB 0.555 33.011 32.500 -0.074 0.000 0.793 428 K HN 0.339 nan 8.250 nan 0.000 0.494 429 A N 1.161 123.917 122.820 -0.107 0.000 2.687 429 A HA -0.153 4.167 4.320 -0.001 0.000 0.299 429 A C -0.093 177.458 177.584 -0.054 0.000 1.497 429 A CA 0.776 52.769 52.037 -0.075 0.000 0.751 429 A CB -1.891 17.071 19.000 -0.063 0.000 1.048 429 A HN 0.162 nan 8.150 nan 0.000 0.464 430 V N -0.139 119.694 119.914 -0.136 0.000 3.040 430 V HA 0.679 4.799 4.120 -0.001 0.000 0.312 430 V C -0.014 175.890 176.094 -0.317 0.000 1.115 430 V CA -0.388 61.802 62.300 -0.183 0.000 0.998 430 V CB 2.108 33.783 31.823 -0.246 0.000 1.042 430 V HN 0.743 nan 8.190 nan 0.000 0.433 431 N N 3.184 121.679 118.700 -0.342 0.000 2.476 431 N HA 0.319 5.058 4.740 -0.001 0.000 0.257 431 N C -0.039 175.246 175.510 -0.374 0.000 0.970 431 N CA -0.458 52.312 53.050 -0.468 0.000 0.938 431 N CB 0.917 38.850 38.487 -0.923 0.000 1.144 431 N HN 0.717 nan 8.380 nan 0.000 0.500 432 Y N 2.191 122.411 120.300 -0.134 0.000 2.465 432 Y HA -0.137 4.412 4.550 -0.001 0.000 0.289 432 Y C 1.509 177.321 175.900 -0.146 0.000 1.150 432 Y CA 0.576 58.619 58.100 -0.095 0.000 1.293 432 Y CB 0.086 38.500 38.460 -0.077 0.000 0.977 432 Y HN 0.604 nan 8.280 nan 0.000 0.556 433 N N 0.006 118.647 118.700 -0.099 0.000 2.328 433 N HA -0.029 4.710 4.740 -0.001 0.000 0.247 433 N C -0.618 174.797 175.510 -0.158 0.000 1.165 433 N CA -0.014 52.957 53.050 -0.132 0.000 0.873 433 N CB -0.158 38.216 38.487 -0.189 0.000 1.125 433 N HN -0.039 nan 8.380 nan 0.000 0.513 434 D N 0.765 121.067 120.400 -0.164 0.000 2.745 434 D HA 0.057 4.696 4.640 -0.001 0.000 0.229 434 D C -0.485 175.870 176.300 0.093 0.000 1.088 434 D CA 0.215 54.158 54.000 -0.094 0.000 1.054 434 D CB -0.304 40.460 40.800 -0.060 0.000 1.132 434 D HN -0.039 nan 8.370 nan 0.000 0.464 435 V N 1.228 121.167 119.914 0.043 0.000 3.158 435 V HA 0.561 4.680 4.120 -0.001 0.000 0.315 435 V C 0.183 176.285 176.094 0.013 0.000 1.148 435 V CA -0.937 61.406 62.300 0.071 0.000 1.042 435 V CB 2.415 34.263 31.823 0.042 0.000 1.101 435 V HN 0.107 nan 8.190 nan 0.000 0.448 436 L N 2.809 124.035 121.223 0.005 0.000 2.408 436 L HA 0.550 4.889 4.340 -0.001 0.000 0.268 436 L C -2.532 174.356 176.870 0.030 0.000 0.986 436 L CA -1.564 53.259 54.840 -0.028 0.000 0.820 436 L CB 2.941 44.919 42.059 -0.136 0.000 1.303 436 L HN 0.466 nan 8.230 nan 0.000 0.411 437 P HA 0.196 nan 4.420 nan 0.000 0.275 437 P C -1.114 176.286 177.300 0.167 0.000 1.266 437 P CA -0.612 62.536 63.100 0.080 0.000 0.793 437 P CB 0.712 32.447 31.700 0.058 0.000 1.074 438 R N 0.826 121.451 120.500 0.208 0.000 2.196 438 R HA 0.367 4.707 4.340 -0.001 0.000 0.340 438 R C 0.545 177.099 176.300 0.423 0.000 1.043 438 R CA -0.242 56.052 56.100 0.325 0.000 0.883 438 R CB 0.666 31.137 30.300 0.285 0.000 1.078 438 R HN 0.393 nan 8.270 nan 0.000 0.462 439 R N 1.852 122.621 120.500 0.448 0.000 2.711 439 R HA 0.214 4.553 4.340 -0.001 0.000 0.284 439 R C -1.004 175.422 176.300 0.210 0.000 0.968 439 R CA -0.955 55.348 56.100 0.337 0.000 0.924 439 R CB 1.787 32.264 30.300 0.295 0.000 1.162 439 R HN 0.489 nan 8.270 nan 0.000 0.465 440 W N 3.322 124.358 121.300 -0.440 0.000 2.311 440 W HA 0.137 4.796 4.660 -0.001 0.000 0.310 440 W C -0.523 175.689 176.519 -0.512 0.000 1.274 440 W CA -0.067 56.806 57.345 -0.787 0.000 1.215 440 W CB 0.823 29.658 29.460 -1.042 0.000 1.227 440 W HN 0.322 nan 8.180 nan 0.000 0.523 441 E N 4.865 123.998 120.200 -1.780 0.000 2.195 441 E HA -0.003 4.346 4.350 -0.001 0.000 0.271 441 E C 1.408 176.845 176.600 -1.938 0.000 0.923 441 E CA -0.433 55.065 56.400 -1.503 0.000 0.790 441 E CB 1.033 29.875 29.700 -1.430 0.000 1.155 441 E HN 0.763 nan 8.360 nan 0.000 0.402 442 H N 2.687 120.952 119.070 -1.340 0.000 2.426 442 H HA -0.230 4.325 4.556 -0.001 0.000 0.298 442 H C 1.271 176.384 175.328 -0.359 0.000 1.107 442 H CA 1.875 57.383 56.048 -0.900 0.000 1.298 442 H CB -0.593 29.021 29.762 -0.247 0.000 1.377 442 H HN 0.669 nan 8.280 nan 0.000 0.519 443 Y N 0.100 119.852 120.300 -0.913 0.000 2.578 443 Y HA 0.144 4.693 4.550 -0.001 0.000 0.297 443 Y C 1.606 177.570 175.900 0.108 0.000 1.176 443 Y CA 0.105 57.950 58.100 -0.424 0.000 1.315 443 Y CB -1.217 37.007 38.460 -0.394 0.000 1.031 443 Y HN 0.281 nan 8.280 nan 0.000 0.524 444 H N 0.597 119.522 119.070 -0.241 0.000 2.556 444 H HA 0.040 4.596 4.556 -0.001 0.000 0.268 444 H C 0.199 175.645 175.328 0.197 0.000 0.996 444 H CA 0.413 56.501 56.048 0.066 0.000 1.157 444 H CB 0.412 30.160 29.762 -0.024 0.000 1.355 444 H HN 0.475 nan 8.280 nan 0.000 0.597 445 E N 1.640 122.040 120.200 0.333 0.000 2.145 445 E HA 0.383 4.733 4.350 -0.001 0.000 0.270 445 E C -1.275 175.470 176.600 0.241 0.000 0.906 445 E CA -0.491 56.090 56.400 0.302 0.000 0.761 445 E CB 1.569 31.488 29.700 0.365 0.000 1.116 445 E HN -0.002 nan 8.360 nan 0.000 0.408 470 I N 4.081 124.476 120.570 -0.292 0.000 2.741 470 I HA 0.054 4.223 4.170 -0.001 0.000 0.288 470 I C -1.785 174.128 176.117 -0.339 0.000 1.192 470 I CA -0.935 59.885 61.300 -0.799 0.000 1.426 470 I CB -0.036 37.359 38.000 -1.009 0.000 1.367 470 I HN 0.528 nan 8.210 nan 0.000 0.563 471 P HA 0.008 nan 4.420 nan 0.000 0.296 471 P C 0.401 177.629 177.300 -0.119 0.000 1.295 471 P CA -0.130 62.906 63.100 -0.108 0.000 0.754 471 P CB 0.593 32.266 31.700 -0.045 0.000 1.311 472 E N -0.756 119.405 120.200 -0.066 0.000 2.364 472 E HA -0.069 4.281 4.350 -0.001 0.000 0.203 472 E C 1.317 177.898 176.600 -0.032 0.000 0.888 472 E CA 0.421 56.789 56.400 -0.054 0.000 0.989 472 E CB -0.377 29.301 29.700 -0.036 0.000 0.985 472 E HN 0.446 nan 8.360 nan 0.000 0.499 473 E N 0.461 120.653 120.200 -0.013 0.000 2.515 473 E HA -0.084 4.266 4.350 -0.001 0.000 0.201 473 E C 1.373 178.002 176.600 0.049 0.000 1.071 473 E CA 0.638 57.047 56.400 0.015 0.000 0.880 473 E CB 0.068 29.783 29.700 0.024 0.000 0.828 473 E HN 0.394 nan 8.360 nan 0.000 0.540 474 I N -0.465 120.118 120.570 0.022 0.000 3.812 474 I HA 0.041 4.211 4.170 -0.001 0.000 0.292 474 I C 2.343 178.482 176.117 0.037 0.000 1.206 474 I CA -0.415 60.933 61.300 0.079 0.000 1.370 474 I CB 0.112 38.058 38.000 -0.089 0.000 1.328 474 I HN -0.075 nan 8.210 nan 0.000 0.453 475 R N 1.388 121.849 120.500 -0.065 0.000 2.113 475 R HA -0.225 4.114 4.340 -0.001 0.000 0.244 475 R C 2.348 178.623 176.300 -0.042 0.000 1.142 475 R CA 1.901 57.953 56.100 -0.081 0.000 0.953 475 R CB -0.430 29.815 30.300 -0.091 0.000 0.860 475 R HN 0.179 nan 8.270 nan 0.000 0.438 476 R N 0.073 120.558 120.500 -0.024 0.000 2.105 476 R HA -0.140 4.199 4.340 -0.001 0.000 0.239 476 R C 0.436 176.718 176.300 -0.029 0.000 1.135 476 R CA 1.699 57.783 56.100 -0.027 0.000 0.967 476 R CB 0.015 30.302 30.300 -0.020 0.000 0.861 476 R HN 0.022 nan 8.270 nan 0.000 0.442 477 E N 0.516 120.722 120.200 0.011 0.000 2.598 477 E HA 0.220 4.569 4.350 -0.001 0.000 0.233 477 E C -1.389 175.225 176.600 0.023 0.000 1.173 477 E CA -0.121 56.265 56.400 -0.024 0.000 1.473 477 E CB 0.290 29.967 29.700 -0.039 0.000 1.398 477 E HN 0.246 nan 8.360 nan 0.000 0.431 478 L N 0.452 121.677 121.223 0.004 0.000 2.406 478 L HA 0.862 5.201 4.340 -0.001 0.000 0.272 478 L C -1.358 175.388 176.870 -0.206 0.000 0.980 478 L CA -0.557 54.278 54.840 -0.010 0.000 0.831 478 L CB 1.292 43.334 42.059 -0.029 0.000 1.253 478 L HN 0.195 nan 8.230 nan 0.000 0.406 479 A N 3.825 126.489 122.820 -0.261 0.000 2.566 479 A HA 0.755 5.075 4.320 -0.001 0.000 0.292 479 A C -2.152 175.256 177.584 -0.293 0.000 1.112 479 A CA -0.440 51.419 52.037 -0.297 0.000 0.707 479 A CB 1.436 20.353 19.000 -0.139 0.000 1.302 479 A HN 0.684 nan 8.150 nan 0.000 0.409 480 Y N 0.702 121.084 120.300 0.137 0.000 2.409 480 Y HA 0.385 4.934 4.550 -0.001 0.000 0.343 480 Y C -0.189 175.797 175.900 0.144 0.000 0.973 480 Y CA -0.924 57.281 58.100 0.175 0.000 1.064 480 Y CB 1.980 40.570 38.460 0.216 0.000 1.207 480 Y HN 0.614 nan 8.280 nan 0.000 0.452 481 D N 2.159 122.729 120.400 0.283 0.000 2.312 481 D HA 0.069 4.708 4.640 -0.001 0.000 0.248 481 D C 0.263 176.671 176.300 0.180 0.000 1.086 481 D CA -0.200 53.869 54.000 0.114 0.000 0.948 481 D CB 1.126 41.928 40.800 0.004 0.000 1.162 481 D HN 0.839 nan 8.370 nan 0.000 0.446 482 W N 0.355 121.763 121.300 0.179 0.000 2.940 482 W HA 0.086 4.745 4.660 -0.001 0.000 0.297 482 W C 0.276 176.922 176.519 0.211 0.000 1.149 482 W CA -0.426 57.017 57.345 0.163 0.000 1.564 482 W CB 0.129 29.660 29.460 0.119 0.000 1.010 482 W HN 0.276 nan 8.180 nan 0.000 0.578 483 Q N 1.681 121.144 119.800 -0.561 0.000 2.248 483 Q HA 0.631 4.971 4.340 -0.001 0.000 0.263 483 Q C -0.687 175.255 176.000 -0.096 0.000 1.007 483 Q CA -0.711 54.840 55.803 -0.420 0.000 0.877 483 Q CB 2.409 30.522 28.738 -1.040 0.000 1.315 483 Q HN 0.087 nan 8.270 nan 0.000 0.454 484 L N 0.978 122.236 121.223 0.057 0.000 2.439 484 L HA 0.490 4.830 4.340 -0.001 0.000 0.259 484 L C 0.247 177.044 176.870 -0.121 0.000 1.129 484 L CA -0.860 53.933 54.840 -0.078 0.000 0.803 484 L CB 0.935 42.836 42.059 -0.264 0.000 1.161 484 L HN 0.624 nan 8.230 nan 0.000 0.462 485 R N 1.000 121.396 120.500 -0.174 0.000 2.310 485 R HA 0.707 5.047 4.340 -0.001 0.000 0.324 485 R C -0.675 175.387 176.300 -0.396 0.000 0.955 485 R CA -0.291 55.686 56.100 -0.206 0.000 0.830 485 R CB 1.758 31.994 30.300 -0.106 0.000 1.154 485 R HN 0.775 nan 8.270 nan 0.000 0.458 486 A N 3.676 126.217 122.820 -0.465 0.000 2.973 486 A HA 0.707 5.026 4.320 -0.001 0.000 0.267 486 A C -1.003 176.385 177.584 -0.326 0.000 1.210 486 A CA -0.714 50.947 52.037 -0.627 0.000 0.749 486 A CB 1.055 19.302 19.000 -1.254 0.000 1.373 486 A HN 0.559 nan 8.150 nan 0.000 0.585 487 I N 0.632 121.017 120.570 -0.308 0.000 2.406 487 I HA 0.429 4.599 4.170 -0.001 0.000 0.290 487 I C -0.929 175.114 176.117 -0.124 0.000 0.999 487 I CA -0.373 60.829 61.300 -0.164 0.000 1.124 487 I CB 1.287 39.175 38.000 -0.186 0.000 1.289 487 I HN 0.559 nan 8.210 nan 0.000 0.441 488 L N 6.151 127.371 121.223 -0.004 0.000 3.118 488 L HA -0.157 4.182 4.340 -0.001 0.000 0.641 488 L C -0.623 176.279 176.870 0.053 0.000 1.326 488 L CA 0.180 55.071 54.840 0.085 0.000 1.114 488 L CB -1.301 40.814 42.059 0.093 0.000 1.845 488 L HN 0.761 nan 8.230 nan 0.000 0.861 489 Q N 0.862 120.672 119.800 0.018 0.000 2.340 489 Q HA 0.313 4.652 4.340 -0.001 0.000 0.259 489 Q C -0.398 175.550 176.000 -0.088 0.000 0.964 489 Q CA -0.814 54.965 55.803 -0.040 0.000 0.900 489 Q CB 1.694 30.380 28.738 -0.087 0.000 1.228 489 Q HN 0.122 nan 8.270 nan 0.000 0.449 490 D N 3.356 123.789 120.400 0.054 0.000 2.344 490 D HA 0.109 4.749 4.640 -0.001 0.000 0.253 490 D C 0.012 176.361 176.300 0.083 0.000 1.255 490 D CA 0.276 54.342 54.000 0.111 0.000 0.894 490 D CB 0.540 41.683 40.800 0.571 0.000 1.067 490 D HN 0.353 nan 8.370 nan 0.000 0.492 491 H N 1.027 120.084 119.070 -0.022 0.000 2.559 491 H HA 0.481 5.037 4.556 -0.001 0.000 0.343 491 H C -0.524 174.816 175.328 0.019 0.000 1.209 491 H CA -0.464 55.681 56.048 0.162 0.000 1.287 491 H CB 1.280 31.113 29.762 0.119 0.000 1.650 491 H HN 0.268 nan 8.280 nan 0.000 0.567 492 F N 1.534 121.717 119.950 0.388 0.000 2.915 492 F HA 0.254 4.780 4.527 -0.001 0.000 0.350 492 F C -0.203 175.754 175.800 0.261 0.000 1.248 492 F CA -0.534 57.647 58.000 0.302 0.000 1.084 492 F CB 0.914 40.122 39.000 0.347 0.000 1.391 492 F HN 0.297 nan 8.300 nan 0.000 0.548 493 I N -0.581 120.153 120.570 0.273 0.000 2.892 493 I HA 0.620 4.790 4.170 -0.001 0.000 0.306 493 I C -0.933 175.277 176.117 0.155 0.000 1.078 493 I CA -1.318 60.113 61.300 0.218 0.000 1.032 493 I CB 2.132 40.210 38.000 0.129 0.000 1.229 493 I HN 0.249 nan 8.210 nan 0.000 0.435 494 K N 3.203 123.691 120.400 0.148 0.000 2.350 494 K HA 0.250 4.569 4.320 -0.001 0.000 0.279 494 K C -1.926 174.711 176.600 0.062 0.000 1.027 494 K CA -1.143 55.206 56.287 0.103 0.000 0.969 494 K CB 0.547 33.113 32.500 0.109 0.000 0.954 494 K HN 0.394 nan 8.250 nan 0.000 0.474 495 P HA -0.176 nan 4.420 nan 0.000 0.226 495 P C -0.091 177.227 177.300 0.030 0.000 1.146 495 P CA 1.190 64.282 63.100 -0.013 0.000 0.773 495 P CB 0.214 31.890 31.700 -0.039 0.000 0.772 496 E N -1.008 119.227 120.200 0.058 0.000 2.385 496 E HA -0.032 4.317 4.350 -0.001 0.000 0.194 496 E C 0.772 177.445 176.600 0.122 0.000 1.013 496 E CA 0.001 56.447 56.400 0.077 0.000 0.866 496 E CB -0.135 29.607 29.700 0.069 0.000 0.832 496 E HN 0.246 nan 8.360 nan 0.000 0.500 497 E N 1.850 122.154 120.200 0.172 0.000 2.436 497 E HA -0.011 4.339 4.350 -0.001 0.000 0.262 497 E C -0.336 176.419 176.600 0.259 0.000 1.063 497 E CA 0.266 56.808 56.400 0.238 0.000 0.944 497 E CB 0.594 30.487 29.700 0.322 0.000 0.950 497 E HN 0.065 nan 8.360 nan 0.000 0.444 498 T N 1.738 116.345 114.554 0.088 0.000 2.908 498 T HA 0.225 4.574 4.350 -0.001 0.000 0.290 498 T C 1.029 175.356 174.700 -0.623 0.000 1.034 498 T CA -0.976 61.042 62.100 -0.137 0.000 1.010 498 T CB 0.971 69.784 68.868 -0.092 0.000 1.068 498 T HN 0.432 nan 8.240 nan 0.000 0.481 499 L N 0.823 121.402 121.223 -1.073 0.000 2.081 499 L HA -0.117 4.223 4.340 -0.001 0.000 0.212 499 L C 1.464 177.953 176.870 -0.636 0.000 1.080 499 L CA 2.142 56.163 54.840 -1.365 0.000 0.754 499 L CB -1.092 40.281 42.059 -1.144 0.000 0.893 499 L HN 0.762 nan 8.230 nan 0.000 0.433 500 D N -0.217 119.944 120.400 -0.398 0.000 2.178 500 D HA -0.153 4.486 4.640 -0.001 0.000 0.202 500 D C 1.681 177.864 176.300 -0.193 0.000 0.974 500 D CA 1.105 54.951 54.000 -0.257 0.000 0.841 500 D CB 0.009 40.706 40.800 -0.171 0.000 0.953 500 D HN 0.447 nan 8.370 nan 0.000 0.478 501 N N -0.364 118.257 118.700 -0.131 0.000 2.409 501 N HA -0.106 4.633 4.740 -0.001 0.000 0.179 501 N C 1.426 177.009 175.510 0.121 0.000 1.032 501 N CA 0.269 53.324 53.050 0.008 0.000 0.898 501 N CB -0.150 38.390 38.487 0.088 0.000 0.971 501 N HN 0.219 nan 8.380 nan 0.000 0.441 502 Y N 2.082 122.268 120.300 -0.191 0.000 2.206 502 Y HA -0.005 4.544 4.550 -0.001 0.000 0.292 502 Y C 2.036 177.717 175.900 -0.364 0.000 1.123 502 Y CA 1.241 59.200 58.100 -0.234 0.000 1.142 502 Y CB -0.018 38.152 38.460 -0.483 0.000 1.006 502 Y HN 0.010 nan 8.280 nan 0.000 0.518 503 R N 0.026 120.131 120.500 -0.657 0.000 2.285 503 R HA -0.019 4.320 4.340 -0.001 0.000 0.213 503 R C 0.892 176.825 176.300 -0.612 0.000 1.068 503 R CA 1.461 56.853 56.100 -1.180 0.000 1.004 503 R CB -0.620 29.083 30.300 -0.995 0.000 0.873 503 R HN 0.395 nan 8.270 nan 0.000 0.467 504 L N 1.183 122.217 121.223 -0.316 0.000 2.769 504 L HA 0.191 4.530 4.340 -0.001 0.000 0.240 504 L C 0.162 176.994 176.870 -0.064 0.000 1.163 504 L CA -0.454 54.283 54.840 -0.172 0.000 0.962 504 L CB 0.963 42.947 42.059 -0.125 0.000 1.258 504 L HN -0.101 nan 8.230 nan 0.000 0.513 505 V N -0.013 119.894 119.914 -0.013 0.000 4.935 505 V HA -0.375 3.744 4.120 -0.001 0.000 0.273 505 V C 1.387 177.521 176.094 0.067 0.000 0.517 505 V CA 1.502 63.873 62.300 0.118 0.000 0.745 505 V CB -2.153 29.753 31.823 0.138 0.000 0.647 505 V HN 0.609 nan 8.190 nan 0.000 1.220 506 K N -1.110 119.340 120.400 0.083 0.000 2.370 506 K HA 0.188 4.507 4.320 -0.001 0.000 0.194 506 K C 1.088 177.726 176.600 0.064 0.000 1.070 506 K CA 0.528 56.838 56.287 0.038 0.000 0.998 506 K CB 0.346 32.865 32.500 0.033 0.000 0.911 506 K HN 0.772 nan 8.250 nan 0.000 0.533 507 Y N 0.624 121.000 120.300 0.127 0.000 2.130 507 Y HA -0.064 4.486 4.550 -0.001 0.000 0.383 507 Y C 0.163 176.225 175.900 0.271 0.000 1.258 507 Y CA -0.179 58.048 58.100 0.212 0.000 1.776 507 Y CB 0.011 38.657 38.460 0.309 0.000 1.501 507 Y HN -0.003 nan 8.280 nan 0.000 0.719 508 H N 0.387 119.642 119.070 0.308 0.000 2.860 508 H HA 0.248 4.803 4.556 -0.001 0.000 0.312 508 H C -1.342 174.218 175.328 0.388 0.000 0.995 508 H CA -1.030 55.108 56.048 0.150 0.000 1.311 508 H CB 0.858 30.720 29.762 0.166 0.000 1.478 508 H HN 0.732 nan 8.280 nan 0.000 0.508 509 E N 5.424 125.936 120.200 0.520 0.000 2.070 509 E HA 0.058 4.407 4.350 -0.001 0.000 0.282 509 E C 0.147 177.007 176.600 0.433 0.000 1.104 509 E CA -0.190 56.585 56.400 0.625 0.000 0.876 509 E CB 0.521 30.586 29.700 0.607 0.000 1.055 509 E HN 0.754 nan 8.360 nan 0.000 0.401 510 L N 2.916 124.334 121.223 0.325 0.000 2.217 510 L HA 0.159 4.499 4.340 -0.001 0.000 0.211 510 L C 1.377 178.456 176.870 0.348 0.000 1.107 510 L CA 0.770 55.740 54.840 0.217 0.000 0.783 510 L CB -0.297 41.875 42.059 0.188 0.000 0.919 510 L HN 0.526 nan 8.230 nan 0.000 0.442 511 G N -0.415 108.676 108.800 0.484 0.000 2.511 511 G HA2 0.318 4.278 3.960 -0.001 0.000 0.316 511 G HA3 0.318 4.278 3.960 -0.001 0.000 0.316 511 G C -0.613 174.572 174.900 0.476 0.000 1.210 511 G CA -0.211 45.213 45.100 0.539 0.000 0.969 511 G HN 0.243 nan 8.290 nan 0.000 0.492 512 D N -0.684 119.935 120.400 0.364 0.000 2.891 512 D HA 0.154 4.793 4.640 -0.001 0.000 0.312 512 D C -0.304 175.965 176.300 -0.052 0.000 1.354 512 D CA -0.388 53.658 54.000 0.077 0.000 0.838 512 D CB 0.017 40.764 40.800 -0.089 0.000 1.117 512 D HN 0.201 nan 8.370 nan 0.000 0.473 513 F N -0.328 119.807 119.950 0.307 0.000 2.704 513 F HA 0.138 4.664 4.527 -0.001 0.000 0.304 513 F C 2.190 178.187 175.800 0.328 0.000 1.094 513 F CA -0.258 57.969 58.000 0.379 0.000 1.275 513 F CB 0.321 39.636 39.000 0.525 0.000 1.073 513 F HN -0.077 nan 8.300 nan 0.000 0.586 514 V N 1.086 121.240 119.914 0.400 0.000 2.270 514 V HA -0.252 3.868 4.120 -0.001 0.000 0.245 514 V C 1.287 177.304 176.094 -0.128 0.000 1.043 514 V CA 2.208 64.634 62.300 0.209 0.000 1.014 514 V CB -0.755 31.321 31.823 0.422 0.000 0.645 514 V HN 0.532 nan 8.190 nan 0.000 0.447 515 N N -0.425 118.175 118.700 -0.166 0.000 2.401 515 N HA 0.160 4.900 4.740 -0.001 0.000 0.264 515 N C -0.204 175.124 175.510 -0.304 0.000 1.238 515 N CA -0.330 52.294 53.050 -0.711 0.000 0.889 515 N CB 0.501 38.802 38.487 -0.310 0.000 1.196 515 N HN 0.325 nan 8.380 nan 0.000 0.511 516 Q N 0.796 120.533 119.800 -0.104 0.000 2.387 516 Q HA 0.502 4.841 4.340 -0.001 0.000 0.273 516 Q C -2.734 173.342 176.000 0.127 0.000 1.089 516 Q CA -1.938 53.864 55.803 -0.001 0.000 0.824 516 Q CB 1.955 30.663 28.738 -0.050 0.000 1.367 516 Q HN 0.100 nan 8.270 nan 0.000 0.443 517 P HA 0.056 nan 4.420 nan 0.000 0.269 517 P C -1.110 176.341 177.300 0.251 0.000 1.217 517 P CA 0.399 63.610 63.100 0.184 0.000 0.783 517 P CB 0.308 32.070 31.700 0.104 0.000 0.898 518 Y N -0.213 120.070 120.300 -0.030 0.000 2.512 518 Y HA 0.274 4.823 4.550 -0.001 0.000 0.348 518 Y C 0.649 176.404 175.900 -0.243 0.000 0.990 518 Y CA -0.800 57.233 58.100 -0.112 0.000 1.033 518 Y CB 1.542 39.982 38.460 -0.033 0.000 1.259 518 Y HN 0.272 nan 8.280 nan 0.000 0.461 519 E N 2.178 122.054 120.200 -0.540 0.000 2.349 519 E HA 0.247 4.596 4.350 -0.001 0.000 0.262 519 E C -1.286 174.809 176.600 -0.842 0.000 1.088 519 E CA -0.267 55.572 56.400 -0.936 0.000 0.899 519 E CB 1.511 30.134 29.700 -1.795 0.000 1.044 519 E HN 0.586 nan 8.360 nan 0.000 0.420 520 Y N -1.997 117.956 120.300 -0.579 0.000 2.597 520 Y HA 0.633 5.182 4.550 -0.001 0.000 0.340 520 Y C -0.977 174.938 175.900 0.026 0.000 1.097 520 Y CA -1.220 56.759 58.100 -0.202 0.000 1.037 520 Y CB 1.640 40.058 38.460 -0.070 0.000 1.305 520 Y HN 0.431 nan 8.280 nan 0.000 0.463 521 E N 3.382 123.827 120.200 0.409 0.000 2.287 521 E HA 0.351 4.701 4.350 -0.001 0.000 0.274 521 E C -1.293 175.481 176.600 0.289 0.000 0.896 521 E CA -0.980 55.619 56.400 0.332 0.000 0.788 521 E CB 1.253 31.148 29.700 0.325 0.000 1.244 521 E HN 0.719 nan 8.360 nan 0.000 0.408 522 M N 5.162 124.915 119.600 0.256 0.000 2.239 522 M HA 0.147 4.626 4.480 -0.001 0.000 0.348 522 M C 1.063 177.436 176.300 0.122 0.000 1.239 522 M CA 0.576 55.974 55.300 0.164 0.000 1.114 522 M CB -0.057 32.625 32.600 0.138 0.000 1.641 522 M HN 0.669 nan 8.290 nan 0.000 0.453 523 I N -1.452 119.174 120.570 0.094 0.000 3.345 523 I HA 0.294 4.464 4.170 -0.001 0.000 0.258 523 I C 0.936 177.088 176.117 0.058 0.000 1.134 523 I CA 0.255 61.598 61.300 0.073 0.000 1.457 523 I CB 0.332 38.371 38.000 0.065 0.000 1.425 523 I HN 0.596 nan 8.210 nan 0.000 0.461 524 E N 0.144 120.376 120.200 0.054 0.000 1.966 524 E HA 0.076 4.426 4.350 -0.001 0.000 0.264 524 E C 0.286 176.914 176.600 0.047 0.000 1.066 524 E CA 0.177 56.606 56.400 0.047 0.000 1.866 524 E CB -0.123 29.602 29.700 0.041 0.000 3.448 524 E HN 0.248 nan 8.360 nan 0.000 1.014 525 N N 0.632 119.360 118.700 0.046 0.000 2.273 525 N HA 0.436 5.176 4.740 -0.001 0.000 0.231 525 N C 0.157 175.695 175.510 0.046 0.000 1.134 525 N CA 0.892 53.972 53.050 0.049 0.000 0.856 525 N CB 1.755 40.272 38.487 0.049 0.000 1.068 525 N HN 0.299 nan 8.380 nan 0.000 0.510 526 G N -0.666 108.159 108.800 0.042 0.000 2.441 526 G HA2 0.356 4.316 3.960 -0.001 0.000 0.225 526 G HA3 0.356 4.316 3.960 -0.001 0.000 0.225 526 G C -1.861 173.062 174.900 0.038 0.000 1.200 526 G CA -0.133 44.985 45.100 0.031 0.000 0.947 526 G HN 0.048 nan 8.290 nan 0.000 0.484 527 V N -2.101 117.835 119.914 0.037 0.000 3.048 527 V HA 0.817 4.936 4.120 -0.001 0.000 0.303 527 V C -0.795 175.355 176.094 0.094 0.000 1.214 527 V CA -1.097 61.246 62.300 0.072 0.000 0.984 527 V CB 1.842 33.688 31.823 0.038 0.000 1.054 527 V HN 0.946 nan 8.190 nan 0.000 0.430 528 K N 2.299 122.801 120.400 0.171 0.000 2.265 528 K HA 0.805 5.124 4.320 -0.001 0.000 0.267 528 K C -1.812 174.990 176.600 0.337 0.000 0.994 528 K CA -0.597 55.821 56.287 0.217 0.000 0.860 528 K CB 1.344 33.984 32.500 0.232 0.000 1.099 528 K HN 0.684 nan 8.250 nan 0.000 0.448 529 L N 4.708 126.107 121.223 0.294 0.000 2.354 529 L HA 0.686 5.025 4.340 -0.001 0.000 0.269 529 L C -1.223 175.943 176.870 0.493 0.000 1.005 529 L CA -0.434 54.597 54.840 0.320 0.000 0.819 529 L CB 1.326 43.513 42.059 0.212 0.000 1.311 529 L HN 0.770 nan 8.230 nan 0.000 0.423 530 W N 1.608 123.056 121.300 0.246 0.000 3.213 530 W HA 0.805 5.465 4.660 -0.000 0.000 0.318 530 W C -1.494 174.932 176.519 -0.155 0.000 1.248 530 W CA -1.040 56.349 57.345 0.072 0.000 1.187 530 W CB 1.186 30.653 29.460 0.012 0.000 1.403 530 W HN 0.541 nan 8.180 nan 0.000 0.556 531 R N 2.557 122.926 120.500 -0.220 0.000 2.574 531 R HA 0.285 4.625 4.340 -0.001 0.000 0.288 531 R C -0.700 175.622 176.300 0.037 0.000 1.004 531 R CA -0.561 55.314 56.100 -0.374 0.000 0.895 531 R CB 1.866 31.570 30.300 -0.995 0.000 1.191 531 R HN 0.571 nan 8.270 nan 0.000 0.444 532 E N 4.117 124.330 120.200 0.021 0.000 1.998 532 E HA 0.280 4.630 4.350 -0.001 0.000 0.257 532 E C -0.630 175.941 176.600 -0.049 0.000 1.038 532 E CA -0.533 55.908 56.400 0.069 0.000 0.869 532 E CB 1.324 31.073 29.700 0.081 0.000 1.135 532 E HN 0.769 nan 8.360 nan 0.000 0.430 533 G N 1.376 110.131 108.800 -0.075 0.000 3.341 533 G HA2 0.769 4.728 3.960 -0.001 0.000 0.177 533 G HA3 0.769 4.728 3.960 -0.001 0.000 0.177 533 G C -0.261 174.588 174.900 -0.085 0.000 1.236 533 G CA -0.308 44.597 45.100 -0.325 0.000 0.888 533 G HN 0.675 nan 8.290 nan 0.000 0.644 534 G N -2.193 106.566 108.800 -0.068 0.000 2.632 534 G HA2 0.500 4.460 3.960 -0.001 0.000 0.292 534 G HA3 0.500 4.460 3.960 -0.001 0.000 0.292 534 G C -2.035 172.833 174.900 -0.053 0.000 1.465 534 G CA -0.326 44.715 45.100 -0.097 0.000 0.824 534 G HN 0.851 nan 8.290 nan 0.000 0.509 535 V N 1.366 121.109 119.914 -0.285 0.000 2.328 535 V HA 0.423 4.543 4.120 -0.001 0.000 0.278 535 V C -1.077 174.834 176.094 -0.305 0.000 1.021 535 V CA -0.727 61.442 62.300 -0.218 0.000 0.838 535 V CB 0.472 32.098 31.823 -0.328 0.000 0.999 535 V HN 0.555 nan 8.190 nan 0.000 0.447 536 Y N 3.525 123.786 120.300 -0.064 0.000 2.328 536 Y HA 0.752 5.302 4.550 -0.001 0.000 0.337 536 Y C 0.569 176.450 175.900 -0.032 0.000 1.008 536 Y CA -0.064 58.007 58.100 -0.049 0.000 1.129 536 Y CB 1.591 40.054 38.460 0.006 0.000 1.185 536 Y HN 0.712 nan 8.280 nan 0.000 0.476 537 A N 2.173 125.014 122.820 0.035 0.000 2.364 537 A HA 0.404 4.723 4.320 -0.001 0.000 0.193 537 A C 0.775 178.410 177.584 0.084 0.000 1.530 537 A CA -0.151 51.919 52.037 0.056 0.000 1.613 537 A CB 0.050 19.007 19.000 -0.072 0.000 1.767 537 A HN 0.514 nan 8.150 nan 0.000 0.657 538 E N 0.253 120.472 120.200 0.031 0.000 2.216 538 E HA 0.210 4.560 4.350 -0.001 0.000 0.192 538 E C 0.535 177.135 176.600 -0.000 0.000 0.973 538 E CA 0.703 57.131 56.400 0.047 0.000 0.851 538 E CB 0.468 30.209 29.700 0.067 0.000 0.804 538 E HN 0.554 nan 8.360 nan 0.000 0.477 539 E N 0.642 120.797 120.200 -0.075 0.000 2.277 539 E HA 0.230 4.579 4.350 -0.001 0.000 0.266 539 E C -0.948 175.534 176.600 -0.197 0.000 0.901 539 E CA -0.815 55.519 56.400 -0.109 0.000 0.782 539 E CB 1.150 30.784 29.700 -0.111 0.000 1.228 539 E HN -0.170 nan 8.360 nan 0.000 0.424 540 K N 4.451 124.729 120.400 -0.204 0.000 2.250 540 K HA 0.235 4.555 4.320 -0.001 0.000 0.280 540 K C -1.050 175.337 176.600 -0.355 0.000 1.098 540 K CA -0.511 55.551 56.287 -0.374 0.000 0.916 540 K CB 0.133 32.417 32.500 -0.359 0.000 1.209 540 K HN 0.337 nan 8.250 nan 0.000 0.461 541 I N 7.960 128.294 120.570 -0.393 0.000 2.291 541 I HA 0.181 4.350 4.170 -0.001 0.000 0.290 541 I C -1.962 173.998 176.117 -0.262 0.000 1.050 541 I CA -2.559 58.573 61.300 -0.280 0.000 1.245 541 I CB 1.044 38.889 38.000 -0.258 0.000 1.405 541 I HN 0.471 nan 8.210 nan 0.000 0.478 542 P HA 0.186 nan 4.420 nan 0.000 0.269 542 P C -0.548 176.718 177.300 -0.057 0.000 1.252 542 P CA 0.022 63.045 63.100 -0.129 0.000 0.780 542 P CB 0.941 32.586 31.700 -0.092 0.000 0.829 543 A N 4.703 127.528 122.820 0.009 0.000 2.282 543 A HA 0.779 5.099 4.320 -0.001 0.000 0.324 543 A C -0.144 177.548 177.584 0.179 0.000 1.119 543 A CA -0.855 51.218 52.037 0.059 0.000 0.880 543 A CB 1.263 20.232 19.000 -0.051 0.000 1.294 543 A HN 0.551 nan 8.150 nan 0.000 0.493 544 R N 0.196 120.765 120.500 0.114 0.000 2.510 544 R HA 0.541 4.881 4.340 -0.001 0.000 0.294 544 R C -2.246 174.092 176.300 0.064 0.000 1.056 544 R CA -0.272 55.914 56.100 0.143 0.000 0.918 544 R CB 1.711 32.056 30.300 0.075 0.000 1.187 544 R HN 0.511 nan 8.270 nan 0.000 0.437 545 V N 3.940 123.923 119.914 0.115 0.000 2.435 545 V HA 0.415 4.534 4.120 -0.001 0.000 0.290 545 V C -0.287 175.883 176.094 0.126 0.000 1.030 545 V CA -0.568 61.757 62.300 0.041 0.000 0.881 545 V CB 1.718 33.576 31.823 0.059 0.000 0.983 545 V HN 0.764 nan 8.190 nan 0.000 0.445 546 E N 4.282 124.495 120.200 0.021 0.000 2.222 546 E HA 0.648 4.997 4.350 -0.001 0.000 0.267 546 E C -1.030 175.448 176.600 -0.203 0.000 0.884 546 E CA -0.913 55.497 56.400 0.017 0.000 0.764 546 E CB 2.579 32.260 29.700 -0.032 0.000 1.169 546 E HN 0.772 nan 8.360 nan 0.000 0.413 547 K N 1.376 121.663 120.400 -0.188 0.000 2.525 547 K HA 0.457 4.776 4.320 -0.001 0.000 0.254 547 K C -1.221 175.280 176.600 -0.165 0.000 0.934 547 K CA -1.040 54.971 56.287 -0.461 0.000 0.802 547 K CB 2.232 34.258 32.500 -0.790 0.000 1.295 547 K HN 0.197 nan 8.250 nan 0.000 0.433 548 K N 4.784 125.102 120.400 -0.135 0.000 2.449 548 K HA 0.350 4.669 4.320 -0.001 0.000 0.257 548 K C -1.099 175.496 176.600 -0.009 0.000 0.989 548 K CA -0.620 55.648 56.287 -0.031 0.000 0.916 548 K CB 0.806 33.296 32.500 -0.017 0.000 1.136 548 K HN 0.678 nan 8.250 nan 0.000 0.439 549 I N 3.878 124.444 120.570 -0.006 0.000 2.331 549 I HA 0.222 4.392 4.170 -0.001 0.000 0.292 549 I C -0.352 175.780 176.117 0.026 0.000 0.998 549 I CA -0.427 60.873 61.300 -0.001 0.000 1.267 549 I CB 1.446 39.386 38.000 -0.100 0.000 1.386 549 I HN 0.564 nan 8.210 nan 0.000 0.476 550 E N 6.275 126.523 120.200 0.079 0.000 2.292 550 E HA 0.492 4.841 4.350 -0.001 0.000 0.272 550 E C -1.178 175.487 176.600 0.110 0.000 0.881 550 E CA -0.751 55.694 56.400 0.075 0.000 0.754 550 E CB 2.838 32.578 29.700 0.066 0.000 1.201 550 E HN 0.447 nan 8.360 nan 0.000 0.425 551 L N 2.481 123.753 121.223 0.081 0.000 2.371 551 L HA 0.353 4.693 4.340 -0.001 0.000 0.272 551 L C 0.670 177.581 176.870 0.069 0.000 1.124 551 L CA -0.025 54.867 54.840 0.086 0.000 0.816 551 L CB 0.753 42.866 42.059 0.090 0.000 1.129 551 L HN 0.718 nan 8.230 nan 0.000 0.448 552 T N -2.081 112.494 114.554 0.035 0.000 2.841 552 T HA 0.272 4.621 4.350 -0.001 0.000 0.276 552 T C 0.744 175.487 174.700 0.071 0.000 1.003 552 T CA -0.818 61.299 62.100 0.029 0.000 0.995 552 T CB 1.226 70.083 68.868 -0.018 0.000 1.260 552 T HN 0.589 nan 8.240 nan 0.000 0.581 553 E N 0.841 121.090 120.200 0.082 0.000 2.204 553 E HA -0.074 4.276 4.350 -0.001 0.000 0.194 553 E C 0.243 176.996 176.600 0.256 0.000 0.989 553 E CA 1.202 57.688 56.400 0.143 0.000 0.824 553 E CB -0.021 29.732 29.700 0.089 0.000 0.756 553 E HN 0.758 nan 8.360 nan 0.000 0.477 554 D N -1.066 119.430 120.400 0.159 0.000 2.945 554 D HA 0.244 4.883 4.640 -0.001 0.000 0.366 554 D C 0.608 176.813 176.300 -0.157 0.000 1.352 554 D CA 0.081 54.217 54.000 0.227 0.000 0.810 554 D CB 0.515 41.382 40.800 0.112 0.000 1.170 554 D HN 0.136 nan 8.370 nan 0.000 0.461 555 G N 0.312 108.684 108.800 -0.714 0.000 2.217 555 G HA2 0.258 4.217 3.960 -0.001 0.000 0.126 555 G HA3 0.258 4.217 3.960 -0.001 0.000 0.126 555 G C -1.120 173.597 174.900 -0.305 0.000 1.293 555 G CA -0.249 44.390 45.100 -0.769 0.000 1.219 555 G HN 0.509 nan 8.290 nan 0.000 0.477 556 F N -1.345 118.492 119.950 -0.187 0.000 2.745 556 F HA 0.915 5.441 4.527 -0.001 0.000 0.316 556 F C -1.359 174.416 175.800 -0.041 0.000 1.155 556 F CA -1.455 56.474 58.000 -0.118 0.000 0.937 556 F CB 1.482 40.401 39.000 -0.134 0.000 1.361 556 F HN 0.979 nan 8.300 nan 0.000 0.472 557 I N 1.602 122.330 120.570 0.263 0.000 2.686 557 I HA 0.862 5.031 4.170 -0.001 0.000 0.295 557 I C -1.614 174.687 176.117 0.307 0.000 1.114 557 I CA -0.941 60.447 61.300 0.146 0.000 1.038 557 I CB 2.037 40.067 38.000 0.051 0.000 1.238 557 I HN 1.102 nan 8.210 nan 0.000 0.420 558 A N 6.697 129.686 122.820 0.282 0.000 2.385 558 A HA 0.666 4.986 4.320 -0.001 0.000 0.290 558 A C -1.130 176.574 177.584 0.201 0.000 1.094 558 A CA -0.710 51.485 52.037 0.263 0.000 0.729 558 A CB 0.688 19.941 19.000 0.422 0.000 1.194 558 A HN 0.585 nan 8.150 nan 0.000 0.442 559 K N 2.181 122.614 120.400 0.055 0.000 2.234 559 K HA 0.467 4.786 4.320 -0.001 0.000 0.277 559 K C -1.390 175.117 176.600 -0.154 0.000 1.038 559 K CA -0.125 56.144 56.287 -0.030 0.000 0.888 559 K CB 1.085 33.558 32.500 -0.044 0.000 1.091 559 K HN 0.650 nan 8.250 nan 0.000 0.467 560 Y N 1.125 121.096 120.300 -0.547 0.000 2.403 560 Y HA 0.368 4.917 4.550 -0.001 0.000 0.323 560 Y C 0.324 175.903 175.900 -0.534 0.000 1.226 560 Y CA -0.655 57.060 58.100 -0.642 0.000 1.235 560 Y CB 1.568 39.285 38.460 -1.240 0.000 1.248 560 Y HN 0.430 nan 8.280 nan 0.000 0.489 561 R N 1.561 121.909 120.500 -0.253 0.000 3.107 561 R HA 0.458 4.797 4.340 -0.001 0.000 0.251 561 R C -2.509 173.674 176.300 -0.194 0.000 1.818 561 R CA -0.198 55.779 56.100 -0.206 0.000 1.228 561 R CB 0.364 30.575 30.300 -0.149 0.000 1.459 561 R HN 0.517 nan 8.270 nan 0.000 0.520 562 V N 5.121 124.875 119.914 -0.266 0.000 2.432 562 V HA 0.435 4.554 4.120 -0.001 0.000 0.275 562 V C 0.013 176.032 176.094 -0.126 0.000 1.043 562 V CA -0.588 61.548 62.300 -0.274 0.000 0.925 562 V CB 1.486 32.962 31.823 -0.579 0.000 0.985 562 V HN 0.599 nan 8.190 nan 0.000 0.466 563 L N 5.882 127.066 121.223 -0.065 0.000 2.439 563 L HA 0.581 4.921 4.340 -0.001 0.000 0.270 563 L C -1.415 175.455 176.870 -0.001 0.000 0.972 563 L CA -0.624 54.200 54.840 -0.026 0.000 0.836 563 L CB 1.674 43.712 42.059 -0.034 0.000 1.255 563 L HN 0.466 nan 8.230 nan 0.000 0.404 564 L N 3.856 125.090 121.223 0.019 0.000 2.334 564 L HA 0.296 4.636 4.340 -0.001 0.000 0.277 564 L C 1.298 178.171 176.870 0.004 0.000 1.075 564 L CA 0.357 55.206 54.840 0.016 0.000 0.804 564 L CB 1.332 43.423 42.059 0.054 0.000 1.174 564 L HN 0.663 nan 8.230 nan 0.000 0.438 565 E N 1.918 122.110 120.200 -0.014 0.000 2.110 565 E HA -0.097 4.253 4.350 -0.001 0.000 0.193 565 E C -0.208 176.387 176.600 -0.009 0.000 0.988 565 E CA 1.260 57.650 56.400 -0.017 0.000 0.804 565 E CB 0.414 30.094 29.700 -0.033 0.000 0.745 565 E HN 0.499 nan 8.360 nan 0.000 0.458 566 K N 0.651 121.049 120.400 -0.004 0.000 2.464 566 K HA 0.376 4.696 4.320 -0.001 0.000 0.253 566 K C -2.714 173.919 176.600 0.055 0.000 0.933 566 K CA -2.290 54.006 56.287 0.014 0.000 0.801 566 K CB 1.993 34.493 32.500 -0.001 0.000 1.271 566 K HN -0.157 nan 8.250 nan 0.000 0.430 567 P HA -0.095 nan 4.420 nan 0.000 0.266 567 P C -1.491 175.935 177.300 0.210 0.000 1.186 567 P CA 0.494 63.657 63.100 0.106 0.000 0.767 567 P CB 0.155 31.897 31.700 0.071 0.000 0.820 568 Y N 0.376 120.694 120.300 0.030 0.000 2.365 568 Y HA 0.133 4.682 4.550 -0.001 0.000 0.324 568 Y C -1.233 174.702 175.900 0.058 0.000 1.330 568 Y CA -1.017 57.106 58.100 0.038 0.000 1.271 568 Y CB 1.147 39.627 38.460 0.034 0.000 1.306 568 Y HN 0.091 nan 8.280 nan 0.000 0.451 569 K N 4.271 124.354 120.400 -0.530 0.000 2.338 569 K HA 0.728 5.048 4.320 -0.001 0.000 0.290 569 K C -0.544 175.874 176.600 -0.303 0.000 1.069 569 K CA 0.348 56.433 56.287 -0.337 0.000 0.941 569 K CB 0.502 32.822 32.500 -0.300 0.000 1.023 569 K HN 0.707 nan 8.250 nan 0.000 0.477 570 A N 3.631 126.441 122.820 -0.015 0.000 2.609 570 A HA 0.676 4.995 4.320 -0.001 0.000 0.291 570 A C -1.343 176.306 177.584 0.109 0.000 1.096 570 A CA -0.798 51.318 52.037 0.131 0.000 0.684 570 A CB 1.220 20.462 19.000 0.402 0.000 1.282 570 A HN 0.523 nan 8.150 nan 0.000 0.412 571 L N 1.340 122.610 121.223 0.079 0.000 2.319 571 L HA 0.451 4.790 4.340 -0.001 0.000 0.281 571 L C -1.018 175.801 176.870 -0.085 0.000 1.005 571 L CA -0.365 54.456 54.840 -0.032 0.000 0.828 571 L CB 1.404 43.366 42.059 -0.163 0.000 1.227 571 L HN 0.737 nan 8.230 nan 0.000 0.415 572 F N 2.769 122.558 119.950 -0.269 0.000 2.424 572 F HA 0.620 5.146 4.527 -0.001 0.000 0.356 572 F C 0.591 176.202 175.800 -0.315 0.000 1.110 572 F CA -0.509 57.183 58.000 -0.513 0.000 1.161 572 F CB 1.116 39.828 39.000 -0.480 0.000 1.115 572 F HN 0.338 nan 8.300 nan 0.000 0.507 573 G N 5.127 113.330 108.800 -0.994 0.000 2.461 573 G HA2 0.568 4.528 3.960 -0.001 0.000 0.323 573 G HA3 0.568 4.528 3.960 -0.001 0.000 0.323 573 G C -1.967 172.477 174.900 -0.760 0.000 1.229 573 G CA -0.731 43.947 45.100 -0.704 0.000 0.941 573 G HN 0.568 nan 8.290 nan 0.000 0.477 574 V N 1.992 121.609 119.914 -0.495 0.000 2.350 574 V HA 0.342 4.462 4.120 -0.001 0.000 0.285 574 V C 0.116 176.188 176.094 -0.037 0.000 1.014 574 V CA -0.728 61.399 62.300 -0.289 0.000 0.831 574 V CB 1.183 32.822 31.823 -0.306 0.000 1.000 574 V HN 0.874 nan 8.190 nan 0.000 0.433 575 E N 5.053 125.303 120.200 0.084 0.000 2.266 575 E HA 0.633 4.983 4.350 -0.001 0.000 0.277 575 E C -1.229 175.445 176.600 0.123 0.000 1.018 575 E CA -0.561 55.944 56.400 0.175 0.000 0.840 575 E CB 1.358 31.256 29.700 0.329 0.000 1.082 575 E HN 0.644 nan 8.360 nan 0.000 0.395 576 I N 4.223 124.885 120.570 0.153 0.000 2.500 576 I HA 0.239 4.409 4.170 -0.001 0.000 0.286 576 I C -0.692 175.517 176.117 0.153 0.000 1.063 576 I CA -0.805 60.574 61.300 0.132 0.000 1.062 576 I CB 1.658 39.760 38.000 0.169 0.000 1.223 576 I HN 0.444 nan 8.210 nan 0.000 0.435 577 N N 7.680 126.412 118.700 0.053 0.000 2.438 577 N HA 0.601 5.341 4.740 -0.001 0.000 0.282 577 N C -0.986 174.566 175.510 0.070 0.000 1.037 577 N CA -0.346 52.724 53.050 0.035 0.000 0.942 577 N CB 2.389 40.845 38.487 -0.050 0.000 1.136 577 N HN 0.388 nan 8.380 nan 0.000 0.481 578 L N 0.779 122.089 121.223 0.145 0.000 2.354 578 L HA 0.497 4.836 4.340 -0.001 0.000 0.269 578 L C 0.625 177.543 176.870 0.081 0.000 1.005 578 L CA -0.994 53.940 54.840 0.157 0.000 0.819 578 L CB 1.794 44.011 42.059 0.262 0.000 1.311 578 L HN 0.473 nan 8.230 nan 0.000 0.423 579 A N 2.663 125.481 122.820 -0.003 0.000 2.958 579 A HA 0.318 4.637 4.320 -0.001 0.000 0.247 579 A C 0.088 177.319 177.584 -0.587 0.000 1.679 579 A CA -0.236 51.620 52.037 -0.302 0.000 1.345 579 A CB -0.942 17.870 19.000 -0.313 0.000 1.013 579 A HN 0.366 nan 8.150 nan 0.000 0.641 580 V N 1.319 121.135 119.914 -0.164 0.000 2.397 580 V HA 0.059 4.178 4.120 -0.001 0.000 0.262 580 V C 0.839 176.972 176.094 0.066 0.000 1.047 580 V CA 0.616 62.899 62.300 -0.027 0.000 1.003 580 V CB -0.761 31.135 31.823 0.122 0.000 1.037 580 V HN 0.907 nan 8.190 nan 0.000 0.480 581 H N 1.698 120.854 119.070 0.143 0.000 2.927 581 H HA 0.015 4.570 4.556 -0.001 0.000 0.255 581 H C 2.010 177.432 175.328 0.156 0.000 0.974 581 H CA 0.696 56.832 56.048 0.147 0.000 1.199 581 H CB 0.626 30.484 29.762 0.160 0.000 1.447 581 H HN 0.725 nan 8.280 nan 0.000 0.467 582 S N 0.458 116.326 115.700 0.280 0.000 2.558 582 S HA 0.101 4.570 4.470 -0.001 0.000 0.217 582 S C 0.490 175.204 174.600 0.190 0.000 0.975 582 S CA -0.227 58.120 58.200 0.246 0.000 0.912 582 S CB 0.225 63.631 63.200 0.343 0.000 0.776 582 S HN -0.026 nan 8.310 nan 0.000 0.526 583 V N 2.874 122.885 119.914 0.162 0.000 2.380 583 V HA 0.420 4.540 4.120 -0.001 0.000 0.286 583 V C -0.592 175.562 176.094 0.099 0.000 1.015 583 V CA -0.654 61.718 62.300 0.120 0.000 0.834 583 V CB 1.051 32.937 31.823 0.105 0.000 1.009 583 V HN 0.314 nan 8.190 nan 0.000 0.428 584 M N 5.014 124.663 119.600 0.082 0.000 2.513 584 M HA 0.171 4.651 4.480 -0.001 0.000 0.341 584 M C 0.483 176.807 176.300 0.039 0.000 1.689 584 M CA 0.784 56.123 55.300 0.065 0.000 1.202 584 M CB -0.463 32.170 32.600 0.057 0.000 1.996 584 M HN 0.520 nan 8.290 nan 0.000 0.458 585 E N 2.239 122.457 120.200 0.030 0.000 2.322 585 E HA 0.464 4.813 4.350 -0.001 0.000 0.257 585 E C -0.549 176.040 176.600 -0.018 0.000 1.155 585 E CA -0.373 56.027 56.400 0.000 0.000 0.936 585 E CB 1.242 30.933 29.700 -0.016 0.000 1.130 585 E HN 0.287 nan 8.360 nan 0.000 0.465 586 K N 0.307 120.687 120.400 -0.033 0.000 2.482 586 K HA 0.451 4.771 4.320 -0.001 0.000 0.257 586 K C -2.654 173.925 176.600 -0.035 0.000 0.969 586 K CA -2.046 54.220 56.287 -0.034 0.000 0.842 586 K CB 1.498 33.978 32.500 -0.034 0.000 1.359 586 K HN 0.113 nan 8.250 nan 0.000 0.441 587 P HA 0.144 nan 4.420 nan 0.000 0.271 587 P C -1.485 175.803 177.300 -0.020 0.000 1.244 587 P CA -0.056 63.042 63.100 -0.003 0.000 0.793 587 P CB 0.432 32.112 31.700 -0.035 0.000 0.984 588 E N -0.104 120.098 120.200 0.005 0.000 2.720 588 E HA 0.092 4.442 4.350 -0.001 0.000 0.298 588 E C -1.802 174.890 176.600 0.154 0.000 1.150 588 E CA -0.497 55.923 56.400 0.033 0.000 0.921 588 E CB 0.598 30.287 29.700 -0.018 0.000 1.164 588 E HN 0.519 nan 8.360 nan 0.000 0.447 589 E N 4.081 124.392 120.200 0.185 0.000 2.593 589 E HA 0.392 4.741 4.350 -0.001 0.000 0.232 589 E C -0.885 175.882 176.600 0.278 0.000 1.026 589 E CA -0.789 55.799 56.400 0.314 0.000 0.772 589 E CB 0.241 30.135 29.700 0.324 0.000 1.310 589 E HN 0.266 nan 8.360 nan 0.000 0.413 590 F N -0.218 119.719 119.950 -0.021 0.000 2.457 590 F HA 0.669 5.196 4.527 -0.001 0.000 0.330 590 F C -0.096 175.645 175.800 -0.097 0.000 1.069 590 F CA -1.662 56.299 58.000 -0.066 0.000 1.009 590 F CB 0.707 39.647 39.000 -0.100 0.000 1.276 590 F HN 0.131 nan 8.300 nan 0.000 0.492 591 E N 0.817 120.908 120.200 -0.181 0.000 2.191 591 E HA 0.741 5.091 4.350 -0.001 0.000 0.274 591 E C -0.912 175.528 176.600 -0.266 0.000 0.948 591 E CA -1.094 55.121 56.400 -0.307 0.000 0.802 591 E CB 1.921 31.518 29.700 -0.173 0.000 1.137 591 E HN 0.971 nan 8.360 nan 0.000 0.397 592 A N 1.917 124.546 122.820 -0.320 0.000 2.540 592 A HA 0.397 4.716 4.320 -0.001 0.000 0.291 592 A C -0.463 177.053 177.584 -0.114 0.000 1.083 592 A CA -0.665 51.292 52.037 -0.134 0.000 0.650 592 A CB 1.492 20.495 19.000 0.005 0.000 1.292 592 A HN 0.594 nan 8.150 nan 0.000 0.435 593 K N -0.624 119.765 120.400 -0.018 0.000 2.474 593 K HA 0.322 4.641 4.320 -0.001 0.000 0.204 593 K C -0.357 176.244 176.600 0.001 0.000 1.220 593 K CA 0.652 56.924 56.287 -0.026 0.000 0.966 593 K CB 0.449 32.935 32.500 -0.024 0.000 1.049 593 K HN 0.689 nan 8.250 nan 0.000 0.554 594 E N -0.208 120.022 120.200 0.051 0.000 2.363 594 E HA 0.282 4.631 4.350 -0.001 0.000 0.281 594 E C -1.625 175.064 176.600 0.149 0.000 0.953 594 E CA -0.839 55.550 56.400 -0.019 0.000 0.778 594 E CB 1.871 31.534 29.700 -0.063 0.000 1.220 594 E HN 0.086 nan 8.360 nan 0.000 0.431 595 F N -1.057 118.888 119.950 -0.009 0.000 2.665 595 F HA 0.589 5.115 4.527 -0.001 0.000 0.308 595 F C -0.985 174.784 175.800 -0.052 0.000 1.112 595 F CA -1.010 57.013 58.000 0.039 0.000 0.972 595 F CB 1.210 40.359 39.000 0.247 0.000 1.295 595 F HN 0.213 nan 8.300 nan 0.000 0.440 596 E N 1.174 121.448 120.200 0.124 0.000 2.214 596 E HA 0.736 5.085 4.350 -0.001 0.000 0.274 596 E C -1.458 175.180 176.600 0.064 0.000 0.977 596 E CA -0.966 55.424 56.400 -0.017 0.000 0.827 596 E CB 2.237 31.915 29.700 -0.037 0.000 1.130 596 E HN 0.597 nan 8.360 nan 0.000 0.394 597 V N 3.277 123.169 119.914 -0.037 0.000 2.444 597 V HA 0.373 4.493 4.120 -0.001 0.000 0.294 597 V C -0.827 175.267 176.094 -0.000 0.000 1.022 597 V CA -0.893 61.416 62.300 0.015 0.000 0.850 597 V CB 1.628 33.426 31.823 -0.043 0.000 0.992 597 V HN 0.595 nan 8.190 nan 0.000 0.426 598 N N 2.490 121.209 118.700 0.032 0.000 2.354 598 N HA 0.514 5.254 4.740 -0.001 0.000 0.287 598 N C -1.379 174.159 175.510 0.047 0.000 1.016 598 N CA -0.390 52.673 53.050 0.021 0.000 0.871 598 N CB 1.894 40.383 38.487 0.003 0.000 1.299 598 N HN 0.716 nan 8.380 nan 0.000 0.482 599 D N 4.230 124.659 120.400 0.048 0.000 2.468 599 D HA 0.407 5.047 4.640 -0.001 0.000 0.272 599 D C -1.980 174.342 176.300 0.038 0.000 1.221 599 D CA -1.986 52.058 54.000 0.073 0.000 0.860 599 D CB 1.173 42.028 40.800 0.091 0.000 1.190 599 D HN 0.309 nan 8.370 nan 0.000 0.509 600 P HA -0.231 nan 4.420 nan 0.000 0.225 600 P C 0.235 177.294 177.300 -0.403 0.000 1.154 600 P CA 1.617 64.556 63.100 -0.268 0.000 0.933 600 P CB 0.011 31.502 31.700 -0.349 0.000 0.790 601 Y N -3.108 117.239 120.300 0.077 0.000 2.584 601 Y HA 0.441 4.991 4.550 -0.001 0.000 0.254 601 Y C 1.782 177.750 175.900 0.114 0.000 1.177 601 Y CA -0.005 58.151 58.100 0.093 0.000 1.216 601 Y CB -0.027 38.493 38.460 0.100 0.000 1.172 601 Y HN -0.080 nan 8.280 nan 0.000 0.529 602 G N 0.759 109.673 108.800 0.191 0.000 2.887 602 G HA2 0.126 4.086 3.960 -0.001 0.000 0.210 602 G HA3 0.126 4.086 3.960 -0.001 0.000 0.210 602 G C 1.005 175.946 174.900 0.069 0.000 1.964 602 G CA 0.026 45.214 45.100 0.147 0.000 0.738 602 G HN 0.252 nan 8.290 nan 0.000 0.790 603 I N -0.426 120.172 120.570 0.046 0.000 3.564 603 I HA 0.424 4.594 4.170 -0.001 0.000 0.294 603 I C 1.205 177.414 176.117 0.152 0.000 1.289 603 I CA 0.445 61.792 61.300 0.079 0.000 1.325 603 I CB -0.682 37.448 38.000 0.215 0.000 1.039 603 I HN 0.740 nan 8.210 nan 0.000 0.474 604 G N 2.172 111.024 108.800 0.086 0.000 2.539 604 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.256 604 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.256 604 G C -0.351 174.585 174.900 0.059 0.000 1.233 604 G CA 0.152 45.286 45.100 0.057 0.000 0.936 604 G HN 0.564 nan 8.290 nan 0.000 0.571 605 K N -0.070 120.349 120.400 0.032 0.000 2.182 605 K HA 0.673 4.993 4.320 -0.001 0.000 0.262 605 K C 0.102 176.660 176.600 -0.070 0.000 0.957 605 K CA -0.187 56.089 56.287 -0.019 0.000 0.842 605 K CB 1.623 34.098 32.500 -0.041 0.000 1.099 605 K HN 1.409 nan 8.250 nan 0.000 0.438 606 V N 0.140 119.951 119.914 -0.171 0.000 3.181 606 V HA 0.702 4.821 4.120 -0.001 0.000 0.308 606 V C -1.439 174.381 176.094 -0.456 0.000 1.214 606 V CA -1.142 60.911 62.300 -0.411 0.000 1.053 606 V CB 1.993 33.464 31.823 -0.587 0.000 1.069 606 V HN 0.891 nan 8.190 nan 0.000 0.441 607 R N 1.163 121.274 120.500 -0.648 0.000 2.651 607 R HA 0.743 5.082 4.340 -0.001 0.000 0.278 607 R C -1.936 173.937 176.300 -0.711 0.000 1.010 607 R CA -0.837 54.918 56.100 -0.575 0.000 0.896 607 R CB 2.219 32.274 30.300 -0.407 0.000 1.211 607 R HN 0.907 nan 8.270 nan 0.000 0.456 608 I N 3.549 123.646 120.570 -0.788 0.000 2.355 608 I HA 0.276 4.445 4.170 -0.001 0.000 0.288 608 I C -0.485 175.292 176.117 -0.566 0.000 0.999 608 I CA -0.468 60.400 61.300 -0.720 0.000 1.163 608 I CB 1.842 39.284 38.000 -0.930 0.000 1.316 608 I HN 0.479 nan 8.210 nan 0.000 0.454 609 E N 7.433 127.421 120.200 -0.354 0.000 2.165 609 E HA 0.569 4.918 4.350 -0.001 0.000 0.266 609 E C -1.071 175.464 176.600 -0.107 0.000 0.889 609 E CA -0.654 55.616 56.400 -0.218 0.000 0.756 609 E CB 2.462 32.050 29.700 -0.187 0.000 1.131 609 E HN 0.451 nan 8.360 nan 0.000 0.411 610 L N 2.274 123.471 121.223 -0.044 0.000 2.352 610 L HA 0.274 4.613 4.340 -0.001 0.000 0.269 610 L C 1.130 178.038 176.870 0.063 0.000 1.034 610 L CA -0.691 54.185 54.840 0.060 0.000 0.806 610 L CB 0.993 43.120 42.059 0.112 0.000 1.244 610 L HN 0.644 nan 8.230 nan 0.000 0.447 611 D N 0.230 120.702 120.400 0.120 0.000 2.339 611 D HA -0.001 4.638 4.640 -0.001 0.000 0.217 611 D C 0.146 176.508 176.300 0.102 0.000 1.050 611 D CA 0.237 54.292 54.000 0.092 0.000 0.856 611 D CB 0.626 41.486 40.800 0.100 0.000 0.922 611 D HN 0.474 nan 8.370 nan 0.000 0.518 612 K N -0.253 120.228 120.400 0.135 0.000 2.568 612 K HA 0.542 4.861 4.320 -0.001 0.000 0.273 612 K C -1.630 174.976 176.600 0.010 0.000 0.951 612 K CA -0.788 55.560 56.287 0.103 0.000 0.854 612 K CB 2.229 34.844 32.500 0.192 0.000 1.424 612 K HN -0.102 nan 8.250 nan 0.000 0.427 613 A N 1.537 124.306 122.820 -0.084 0.000 2.407 613 A HA 0.727 5.046 4.320 -0.001 0.000 0.248 613 A C -0.487 176.837 177.584 -0.435 0.000 1.082 613 A CA 0.377 52.293 52.037 -0.203 0.000 0.785 613 A CB 0.478 19.388 19.000 -0.149 0.000 1.020 613 A HN 0.930 nan 8.150 nan 0.000 0.489 614 A N 1.324 123.793 122.820 -0.584 0.000 2.581 614 A HA 0.662 4.982 4.320 -0.001 0.000 0.290 614 A C -0.541 176.655 177.584 -0.647 0.000 1.119 614 A CA -0.654 50.865 52.037 -0.863 0.000 0.670 614 A CB 0.709 18.596 19.000 -1.854 0.000 1.280 614 A HN 0.879 nan 8.150 nan 0.000 0.425 615 K N 0.960 120.977 120.400 -0.639 0.000 2.312 615 K HA 0.526 4.845 4.320 -0.001 0.000 0.287 615 K C -1.253 174.973 176.600 -0.623 0.000 1.062 615 K CA -0.150 55.803 56.287 -0.556 0.000 0.934 615 K CB 0.528 32.714 32.500 -0.522 0.000 1.027 615 K HN 0.421 nan 8.250 nan 0.000 0.478 616 V N 5.505 125.059 119.914 -0.600 0.000 2.370 616 V HA 0.299 4.419 4.120 -0.001 0.000 0.283 616 V C -0.680 175.332 176.094 -0.136 0.000 1.023 616 V CA -0.917 61.076 62.300 -0.513 0.000 0.857 616 V CB 0.652 31.930 31.823 -0.907 0.000 0.985 616 V HN 0.727 nan 8.190 nan 0.000 0.443 617 W N 4.021 125.229 121.300 -0.153 0.000 2.433 617 W HA 0.635 5.295 4.660 -0.001 0.000 0.315 617 W C 0.139 176.690 176.519 0.054 0.000 1.087 617 W CA -1.287 56.040 57.345 -0.030 0.000 1.205 617 W CB 1.302 30.717 29.460 -0.074 0.000 1.288 617 W HN 0.421 nan 8.180 nan 0.000 0.504 618 K N 4.377 124.940 120.400 0.270 0.000 2.443 618 K HA 0.603 4.923 4.320 -0.001 0.000 0.252 618 K C -1.656 174.973 176.600 0.049 0.000 0.933 618 K CA -0.502 55.775 56.287 -0.017 0.000 0.792 618 K CB 1.611 34.054 32.500 -0.095 0.000 1.185 618 K HN 0.271 nan 8.250 nan 0.000 0.425 619 F N 1.680 121.527 119.950 -0.172 0.000 2.650 619 F HA 0.522 5.048 4.527 -0.001 0.000 0.310 619 F C -3.017 172.691 175.800 -0.154 0.000 1.112 619 F CA -2.341 55.573 58.000 -0.144 0.000 0.986 619 F CB 1.479 40.413 39.000 -0.109 0.000 1.285 619 F HN 0.271 nan 8.300 nan 0.000 0.440 620 P HA 0.325 nan 4.420 nan 0.000 0.281 620 P C -0.385 176.947 177.300 0.053 0.000 1.252 620 P CA 0.003 63.078 63.100 -0.040 0.000 0.778 620 P CB 1.736 33.420 31.700 -0.027 0.000 0.895 621 I N 4.267 124.843 120.570 0.009 0.000 2.471 621 I HA 0.071 4.240 4.170 -0.001 0.000 0.294 621 I C 1.053 177.203 176.117 0.056 0.000 1.123 621 I CA 0.151 61.498 61.300 0.078 0.000 1.336 621 I CB -0.137 37.896 38.000 0.055 0.000 1.430 621 I HN 0.019 nan 8.210 nan 0.000 0.533 622 K N 4.946 125.340 120.400 -0.011 0.000 2.183 622 K HA 0.486 4.805 4.320 -0.001 0.000 0.274 622 K C -0.260 176.444 176.600 0.173 0.000 1.009 622 K CA -0.393 55.824 56.287 -0.117 0.000 0.888 622 K CB 1.753 33.795 32.500 -0.762 0.000 1.078 622 K HN 0.372 nan 8.250 nan 0.000 0.459 623 T N 2.994 117.796 114.554 0.412 0.000 2.848 623 T HA 0.390 4.740 4.350 -0.001 0.000 0.285 623 T C 0.210 175.183 174.700 0.455 0.000 0.995 623 T CA -0.672 61.695 62.100 0.444 0.000 0.970 623 T CB 1.006 70.084 68.868 0.349 0.000 0.976 623 T HN 0.299 nan 8.240 nan 0.000 0.441 624 L N 2.646 124.018 121.223 0.249 0.000 2.483 624 L HA 0.410 4.749 4.340 -0.001 0.000 0.276 624 L C 0.604 177.524 176.870 0.084 0.000 1.213 624 L CA 0.056 54.898 54.840 0.003 0.000 0.843 624 L CB 0.869 42.874 42.059 -0.090 0.000 1.107 624 L HN 0.539 nan 8.230 nan 0.000 0.487 625 S N 2.340 118.089 115.700 0.082 0.000 2.668 625 S HA 0.259 4.729 4.470 -0.001 0.000 0.277 625 S C -0.863 173.674 174.600 -0.104 0.000 1.170 625 S CA -0.843 57.410 58.200 0.088 0.000 0.994 625 S CB 1.352 64.656 63.200 0.173 0.000 1.051 625 S HN 0.502 nan 8.310 nan 0.000 0.484 626 Q N 3.197 122.851 119.800 -0.243 0.000 2.349 626 Q HA 0.402 4.742 4.340 -0.001 0.000 0.254 626 Q C 0.070 175.778 176.000 -0.486 0.000 0.980 626 Q CA -0.113 55.318 55.803 -0.620 0.000 0.924 626 Q CB 1.445 29.718 28.738 -0.775 0.000 1.209 626 Q HN 0.840 nan 8.270 nan 0.000 0.445 627 S N 0.989 116.378 115.700 -0.517 0.000 2.823 627 S HA 0.378 4.848 4.470 -0.001 0.000 0.316 627 S C 0.761 175.102 174.600 -0.431 0.000 1.116 627 S CA -0.770 57.073 58.200 -0.596 0.000 0.911 627 S CB 1.064 63.937 63.200 -0.544 0.000 1.276 627 S HN 0.508 nan 8.310 nan 0.000 0.565 628 E N 0.521 120.496 120.200 -0.375 0.000 2.106 628 E HA -0.037 4.313 4.350 -0.001 0.000 0.192 628 E C 2.030 178.516 176.600 -0.189 0.000 0.984 628 E CA 1.108 57.356 56.400 -0.253 0.000 0.806 628 E CB -0.390 29.189 29.700 -0.202 0.000 0.750 628 E HN 0.708 nan 8.360 nan 0.000 0.458 629 A N 0.813 123.527 122.820 -0.178 0.000 2.119 629 A HA 0.248 4.568 4.320 -0.001 0.000 0.217 629 A C 1.225 178.744 177.584 -0.109 0.000 1.153 629 A CA 1.178 53.145 52.037 -0.116 0.000 0.692 629 A CB -0.228 18.719 19.000 -0.088 0.000 0.799 629 A HN 0.350 nan 8.150 nan 0.000 0.458 630 G N -2.495 106.197 108.800 -0.180 0.000 2.337 630 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.197 630 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.197 630 G C -0.976 173.780 174.900 -0.240 0.000 1.238 630 G CA -0.539 44.450 45.100 -0.184 0.000 1.119 630 G HN 0.460 nan 8.290 nan 0.000 0.514 631 W N 1.750 122.992 121.300 -0.097 0.000 2.304 631 W HA 0.608 5.268 4.660 -0.001 0.000 0.313 631 W C 0.127 176.554 176.519 -0.154 0.000 1.323 631 W CA 0.562 57.825 57.345 -0.136 0.000 1.223 631 W CB 0.993 30.357 29.460 -0.160 0.000 1.237 631 W HN 0.691 nan 8.180 nan 0.000 0.535 632 D N 0.406 120.826 120.400 0.033 0.000 2.837 632 D HA 0.585 5.224 4.640 -0.001 0.000 0.294 632 D C -1.507 174.725 176.300 -0.113 0.000 1.158 632 D CA -0.455 53.546 54.000 0.003 0.000 1.073 632 D CB 1.130 41.965 40.800 0.058 0.000 1.419 632 D HN -0.058 nan 8.370 nan 0.000 0.584 633 F N 0.051 120.075 119.950 0.123 0.000 2.588 633 F HA 0.621 5.147 4.527 -0.001 0.000 0.314 633 F C -0.772 175.097 175.800 0.115 0.000 1.069 633 F CA -0.760 57.308 58.000 0.113 0.000 0.931 633 F CB 1.576 40.628 39.000 0.087 0.000 1.260 633 F HN 0.087 nan 8.300 nan 0.000 0.465 634 I N 2.074 122.885 120.570 0.402 0.000 2.468 634 I HA 0.234 4.403 4.170 -0.001 0.000 0.285 634 I C -0.672 175.567 176.117 0.203 0.000 1.039 634 I CA -0.733 60.719 61.300 0.253 0.000 1.074 634 I CB 1.911 40.034 38.000 0.205 0.000 1.228 634 I HN 0.482 nan 8.210 nan 0.000 0.436 635 Q N 5.647 125.541 119.800 0.158 0.000 2.300 635 Q HA 0.055 4.394 4.340 -0.001 0.000 0.262 635 Q C 0.499 176.580 176.000 0.135 0.000 1.109 635 Q CA -0.091 55.789 55.803 0.128 0.000 0.905 635 Q CB 0.843 29.658 28.738 0.130 0.000 1.280 635 Q HN 0.538 nan 8.270 nan 0.000 0.426 636 Q N 2.580 122.456 119.800 0.127 0.000 2.311 636 Q HA 0.165 4.504 4.340 -0.001 0.000 0.203 636 Q C 0.501 176.663 176.000 0.270 0.000 0.954 636 Q CA 1.080 56.949 55.803 0.110 0.000 0.885 636 Q CB 0.881 29.680 28.738 0.101 0.000 0.963 636 Q HN 0.823 nan 8.270 nan 0.000 0.471 637 G N -1.301 107.632 108.800 0.220 0.000 2.317 637 G HA2 0.333 4.293 3.960 -0.001 0.000 0.293 637 G HA3 0.333 4.293 3.960 -0.001 0.000 0.293 637 G C -1.807 173.113 174.900 0.033 0.000 1.287 637 G CA -0.585 44.620 45.100 0.175 0.000 0.850 637 G HN -0.092 nan 8.290 nan 0.000 0.515 638 V N 0.147 120.049 119.914 -0.021 0.000 2.709 638 V HA 0.745 4.864 4.120 -0.001 0.000 0.308 638 V C 0.055 175.949 176.094 -0.333 0.000 1.062 638 V CA -0.530 61.635 62.300 -0.226 0.000 0.901 638 V CB 1.736 33.417 31.823 -0.237 0.000 1.003 638 V HN 1.098 nan 8.190 nan 0.000 0.425 639 S N 3.664 118.955 115.700 -0.682 0.000 2.442 639 S HA 0.707 5.176 4.470 -0.001 0.000 0.297 639 S C -1.426 172.844 174.600 -0.550 0.000 1.131 639 S CA -0.316 57.524 58.200 -0.600 0.000 1.092 639 S CB 0.282 62.881 63.200 -1.001 0.000 0.998 639 S HN 0.483 nan 8.310 nan 0.000 0.478 640 Y N 2.444 122.725 120.300 -0.032 0.000 2.328 640 Y HA 0.461 5.011 4.550 -0.001 0.000 0.333 640 Y C 0.631 176.599 175.900 0.113 0.000 0.958 640 Y CA -0.735 57.422 58.100 0.095 0.000 1.167 640 Y CB 2.026 40.621 38.460 0.226 0.000 1.151 640 Y HN 0.573 nan 8.280 nan 0.000 0.470 641 T N 4.709 119.401 114.554 0.231 0.000 2.809 641 T HA 0.541 4.890 4.350 -0.001 0.000 0.284 641 T C -0.730 173.927 174.700 -0.071 0.000 0.992 641 T CA -0.722 61.444 62.100 0.110 0.000 0.957 641 T CB 0.124 69.071 68.868 0.131 0.000 0.942 641 T HN 0.446 nan 8.240 nan 0.000 0.439 642 M N 6.166 125.709 119.600 -0.094 0.000 2.077 642 M HA 0.425 4.905 4.480 -0.001 0.000 0.348 642 M C -0.686 175.445 176.300 -0.281 0.000 1.252 642 M CA -0.645 54.543 55.300 -0.187 0.000 1.096 642 M CB 0.746 33.338 32.600 -0.013 0.000 1.568 642 M HN 0.330 nan 8.290 nan 0.000 0.456 643 L N 4.724 125.646 121.223 -0.501 0.000 2.275 643 L HA 0.534 4.873 4.340 -0.001 0.000 0.288 643 L C -0.901 175.679 176.870 -0.483 0.000 1.046 643 L CA 0.027 54.567 54.840 -0.501 0.000 0.805 643 L CB 0.224 41.828 42.059 -0.759 0.000 1.193 643 L HN 0.503 nan 8.230 nan 0.000 0.426 644 F N 4.120 123.841 119.950 -0.381 0.000 2.507 644 F HA 0.480 5.007 4.527 -0.001 0.000 0.325 644 F C -1.874 173.837 175.800 -0.147 0.000 1.116 644 F CA -2.438 55.407 58.000 -0.258 0.000 0.930 644 F CB 1.678 40.532 39.000 -0.244 0.000 1.146 644 F HN 0.312 nan 8.300 nan 0.000 0.447 645 P HA 0.257 nan 4.420 nan 0.000 0.271 645 P C -0.674 176.671 177.300 0.074 0.000 1.216 645 P CA 0.213 63.316 63.100 0.005 0.000 0.771 645 P CB 1.959 33.638 31.700 -0.036 0.000 0.864 646 I N 1.319 121.936 120.570 0.079 0.000 3.095 646 I HA 0.264 4.434 4.170 -0.001 0.000 0.310 646 I C 0.515 176.690 176.117 0.097 0.000 1.196 646 I CA -0.635 60.728 61.300 0.105 0.000 0.985 646 I CB 3.009 41.099 38.000 0.151 0.000 1.250 646 I HN 0.422 nan 8.210 nan 0.000 0.446 647 E N 2.889 123.146 120.200 0.095 0.000 2.624 647 E HA 0.048 4.398 4.350 -0.001 0.000 0.192 647 E C 0.279 176.936 176.600 0.096 0.000 0.961 647 E CA 0.305 56.758 56.400 0.088 0.000 1.632 647 E CB 0.639 30.364 29.700 0.042 0.000 2.082 647 E HN 0.549 nan 8.360 nan 0.000 1.040 648 K N -0.056 120.389 120.400 0.074 0.000 3.055 648 K HA 0.221 4.541 4.320 -0.001 0.000 0.190 648 K C -0.794 175.826 176.600 0.035 0.000 1.786 648 K CA 0.473 56.792 56.287 0.055 0.000 1.423 648 K CB 0.661 33.184 32.500 0.039 0.000 2.075 648 K HN -0.053 nan 8.250 nan 0.000 0.629 649 E N 0.132 120.349 120.200 0.029 0.000 2.288 649 E HA 0.686 5.035 4.350 -0.001 0.000 0.268 649 E C -1.978 174.632 176.600 0.017 0.000 0.885 649 E CA -0.806 55.600 56.400 0.010 0.000 0.767 649 E CB 1.759 31.462 29.700 0.006 0.000 1.220 649 E HN 0.116 nan 8.360 nan 0.000 0.427 650 L N 2.039 123.257 121.223 -0.009 0.000 2.705 650 L HA 0.455 4.794 4.340 -0.001 0.000 0.260 650 L C -1.958 174.886 176.870 -0.044 0.000 0.921 650 L CA 0.071 54.917 54.840 0.010 0.000 0.948 650 L CB 1.782 43.854 42.059 0.021 0.000 1.427 650 L HN 0.669 nan 8.230 nan 0.000 0.432 651 E N 4.914 125.113 120.200 -0.002 0.000 2.278 651 E HA 0.687 5.036 4.350 -0.001 0.000 0.272 651 E C -1.709 174.893 176.600 0.003 0.000 0.890 651 E CA -0.476 55.870 56.400 -0.090 0.000 0.770 651 E CB 2.331 31.991 29.700 -0.067 0.000 1.212 651 E HN 0.438 nan 8.360 nan 0.000 0.415 652 F N -1.361 118.520 119.950 -0.115 0.000 2.745 652 F HA 0.737 5.263 4.527 -0.001 0.000 0.316 652 F C -1.121 174.644 175.800 -0.057 0.000 1.155 652 F CA -0.834 57.082 58.000 -0.141 0.000 0.937 652 F CB 1.583 40.303 39.000 -0.465 0.000 1.361 652 F HN 0.087 nan 8.300 nan 0.000 0.472 653 T N 1.661 116.387 114.554 0.287 0.000 2.928 653 T HA 0.631 4.980 4.350 -0.001 0.000 0.296 653 T C -1.352 173.511 174.700 0.271 0.000 1.000 653 T CA -0.612 61.609 62.100 0.202 0.000 0.989 653 T CB 1.678 70.604 68.868 0.097 0.000 1.005 653 T HN 0.628 nan 8.240 nan 0.000 0.442 654 V N 3.468 123.545 119.914 0.272 0.000 2.459 654 V HA 0.659 4.778 4.120 -0.001 0.000 0.295 654 V C 0.151 176.265 176.094 0.033 0.000 1.029 654 V CA -0.965 61.438 62.300 0.172 0.000 0.874 654 V CB 1.714 33.678 31.823 0.236 0.000 0.985 654 V HN 0.739 nan 8.190 nan 0.000 0.438 655 R N 3.085 123.517 120.500 -0.113 0.000 2.686 655 R HA 0.588 4.928 4.340 -0.001 0.000 0.286 655 R C -2.044 174.006 176.300 -0.417 0.000 0.969 655 R CA -0.645 55.295 56.100 -0.266 0.000 0.898 655 R CB 1.926 32.111 30.300 -0.192 0.000 1.183 655 R HN 0.647 nan 8.270 nan 0.000 0.456 656 F N 4.136 123.577 119.950 -0.849 0.000 2.403 656 F HA 0.492 5.018 4.527 -0.001 0.000 0.355 656 F C -0.711 174.728 175.800 -0.601 0.000 1.119 656 F CA -0.591 56.913 58.000 -0.827 0.000 1.007 656 F CB 0.968 39.218 39.000 -1.251 0.000 1.194 656 F HN 0.349 nan 8.300 nan 0.000 0.443 657 R N 4.497 124.461 120.500 -0.894 0.000 2.460 657 R HA 0.274 4.613 4.340 -0.001 0.000 0.303 657 R C -0.743 175.139 176.300 -0.697 0.000 0.968 657 R CA -0.870 54.869 56.100 -0.603 0.000 0.889 657 R CB 1.969 32.031 30.300 -0.397 0.000 1.123 657 R HN 0.694 nan 8.270 nan 0.000 0.455 658 E N 3.772 123.789 120.200 -0.306 0.000 2.266 658 E HA 0.351 4.700 4.350 -0.001 0.000 0.277 658 E C -0.827 175.738 176.600 -0.058 0.000 1.018 658 E CA -0.398 55.950 56.400 -0.087 0.000 0.840 658 E CB 0.867 30.802 29.700 0.391 0.000 1.082 658 E HN 0.368 nan 8.360 nan 0.000 0.395 659 L N 0.000 121.195 121.223 -0.046 0.000 2.949 659 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 659 L CA 0.000 54.815 54.840 -0.041 0.000 0.813 659 L CB 0.000 42.007 42.059 -0.087 0.000 0.961 659 L HN 0.000 nan 8.230 nan 0.000 0.502