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 3hb6_1_A DATA FIRST_RESID 4 DATA SEQUENCE KKLTTAAGAP VVDNNNVITA GPRGPMLLQD VWFLEKLAHF DREVIPERRM DATA SEQUENCE FAKGSGAFGT FTVTHDITKY TRAKIFSEVG KKTEMFARFS TVAGERGAAD DATA SEQUENCE AERDIRGFAL KFYTEEGNWD MVGNNTPVFY LRDPLKFPDL NHIVKRDPRT DATA SEQUENCE NMRNMAYKWD FFSHLPESLH QLTIDMSDRG LPLSYRFVHG FGSHTYSFIN DATA SEQUENCE KDNERFWVKF HFRCQQGIKN LMDDEAEALV GKDRESSQRD LFEAIERGDY DATA SEQUENCE PRWKLQIQIM PEKEASTVPY NPFDLTKVWP HADYPLMDVG YFELNRNPDN DATA SEQUENCE YFSDVEQAAF SPANIVPGIS FSPDKMLQGR LFSYGDAHRY RLGVNHHQIP DATA SEQUENCE VNAPKCPFHN YHRDGAMRVD GNSGNGITYE PNSGGVFQEQ PDFKEPPLSI DATA SEQUENCE EGAADHWNHR EDEDYFSQPR ALYELLSDDE HQRMFARIAG ELSQASKETQ DATA SEQUENCE QRQIDLFTKV HPEYGAGVEK AIKVLE 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.583 176.600 -0.028 0.000 0.988 4 K CA 0.000 56.277 56.287 -0.016 0.000 0.838 4 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 5 K N 2.140 122.517 120.400 -0.038 0.000 2.211 5 K HA 0.279 4.598 4.320 -0.001 0.000 0.275 5 K C -0.694 175.857 176.600 -0.081 0.000 1.024 5 K CA -0.631 55.621 56.287 -0.058 0.000 0.887 5 K CB 1.330 33.795 32.500 -0.058 0.000 1.084 5 K HN -0.089 nan 8.250 nan 0.000 0.463 6 L N 3.651 124.807 121.223 -0.111 0.000 2.499 6 L HA 0.054 4.393 4.340 -0.001 0.000 0.273 6 L C 0.029 176.755 176.870 -0.240 0.000 1.195 6 L CA 1.068 55.806 54.840 -0.169 0.000 0.882 6 L CB 0.287 42.218 42.059 -0.212 0.000 1.133 6 L HN 0.819 nan 8.230 nan 0.000 0.483 7 T N 0.451 114.871 114.554 -0.224 0.000 2.887 7 T HA 0.721 5.071 4.350 -0.001 0.000 0.292 7 T C 0.128 174.693 174.700 -0.225 0.000 1.087 7 T CA -0.196 61.773 62.100 -0.219 0.000 1.009 7 T CB 1.220 70.022 68.868 -0.109 0.000 1.203 7 T HN 0.762 nan 8.240 nan 0.000 0.518 8 T N -1.209 113.262 114.554 -0.138 0.000 2.788 8 T HA 0.574 4.924 4.350 -0.001 0.000 0.280 8 T C 1.808 176.544 174.700 0.060 0.000 0.984 8 T CA -0.305 61.826 62.100 0.052 0.000 0.972 8 T CB 0.281 69.214 68.868 0.109 0.000 1.039 8 T HN 1.008 nan 8.240 nan 0.000 0.530 9 A N 0.217 123.089 122.820 0.088 0.000 2.070 9 A HA 0.287 4.607 4.320 -0.001 0.000 0.220 9 A C 2.331 179.942 177.584 0.045 0.000 1.159 9 A CA 1.303 53.362 52.037 0.038 0.000 0.656 9 A CB -1.256 17.759 19.000 0.024 0.000 0.800 9 A HN 1.201 nan 8.150 nan 0.000 0.453 10 A N -1.968 120.884 122.820 0.053 0.000 2.307 10 A HA 0.445 4.765 4.320 -0.001 0.000 0.218 10 A C 1.654 179.250 177.584 0.019 0.000 1.228 10 A CA 1.036 53.097 52.037 0.039 0.000 0.857 10 A CB -0.775 18.253 19.000 0.048 0.000 0.897 10 A HN 1.786 nan 8.150 nan 0.000 0.495 11 G N -1.833 106.971 108.800 0.008 0.000 2.157 11 G HA2 0.076 4.036 3.960 -0.001 0.000 0.248 11 G HA3 0.076 4.036 3.960 -0.001 0.000 0.248 11 G C 0.406 175.290 174.900 -0.027 0.000 0.979 11 G CA 0.255 45.348 45.100 -0.012 0.000 0.650 11 G HN 1.587 nan 8.290 nan 0.000 0.529 12 A N 0.482 123.287 122.820 -0.026 0.000 2.354 12 A HA 0.749 5.068 4.320 -0.001 0.000 0.269 12 A C -1.696 175.834 177.584 -0.090 0.000 1.109 12 A CA -1.149 50.865 52.037 -0.039 0.000 0.800 12 A CB 0.595 19.587 19.000 -0.014 0.000 1.045 12 A HN 0.137 nan 8.150 nan 0.000 0.489 13 P HA 0.192 nan 4.420 nan 0.000 0.268 13 P C -0.749 176.426 177.300 -0.210 0.000 1.205 13 P CA 0.028 63.042 63.100 -0.142 0.000 0.771 13 P CB 0.671 32.311 31.700 -0.100 0.000 0.858 14 V N 4.673 124.391 119.914 -0.326 0.000 2.350 14 V HA 0.025 4.144 4.120 -0.001 0.000 0.276 14 V C 1.469 177.386 176.094 -0.295 0.000 1.028 14 V CA -0.026 61.989 62.300 -0.475 0.000 0.860 14 V CB 1.323 32.565 31.823 -0.967 0.000 0.990 14 V HN 0.389 nan 8.190 nan 0.000 0.453 15 V N 2.629 122.427 119.914 -0.193 0.000 2.255 15 V HA -0.010 4.109 4.120 -0.001 0.000 0.243 15 V C 0.775 176.818 176.094 -0.085 0.000 1.038 15 V CA 1.620 63.857 62.300 -0.105 0.000 1.008 15 V CB -0.056 31.736 31.823 -0.051 0.000 0.645 15 V HN 0.922 nan 8.190 nan 0.000 0.449 16 D N -1.002 119.363 120.400 -0.059 0.000 2.542 16 D HA 0.212 4.852 4.640 -0.001 0.000 0.252 16 D C -0.163 176.179 176.300 0.070 0.000 1.222 16 D CA -0.301 53.700 54.000 0.002 0.000 0.895 16 D CB 1.295 42.116 40.800 0.036 0.000 1.207 16 D HN 0.073 nan 8.370 nan 0.000 0.558 17 N N 2.852 121.591 118.700 0.064 0.000 2.280 17 N HA 0.121 4.860 4.740 -0.001 0.000 0.192 17 N C 0.328 175.953 175.510 0.191 0.000 1.109 17 N CA 0.252 53.435 53.050 0.222 0.000 0.855 17 N CB 0.333 38.904 38.487 0.141 0.000 0.974 17 N HN 0.288 nan 8.380 nan 0.000 0.482 18 N N -0.939 117.830 118.700 0.115 0.000 2.257 18 N HA 0.125 4.864 4.740 -0.001 0.000 0.200 18 N C -0.875 174.675 175.510 0.068 0.000 1.163 18 N CA 0.137 53.236 53.050 0.080 0.000 0.891 18 N CB 0.490 39.005 38.487 0.047 0.000 1.067 18 N HN 0.143 nan 8.380 nan 0.000 0.497 19 N N 1.314 120.058 118.700 0.074 0.000 2.295 19 N HA 0.206 4.946 4.740 -0.001 0.000 0.293 19 N C -0.164 175.384 175.510 0.064 0.000 1.040 19 N CA -0.320 52.759 53.050 0.050 0.000 0.840 19 N CB 3.181 41.685 38.487 0.029 0.000 1.468 19 N HN -0.193 nan 8.380 nan 0.000 0.478 20 V N -0.467 119.463 119.914 0.028 0.000 3.214 20 V HA 0.508 4.627 4.120 -0.001 0.000 0.306 20 V C 0.730 176.817 176.094 -0.011 0.000 1.078 20 V CA -0.727 61.575 62.300 0.002 0.000 1.077 20 V CB 0.556 32.302 31.823 -0.127 0.000 1.121 20 V HN 0.463 nan 8.190 nan 0.000 0.468 21 I N 2.844 123.406 120.570 -0.013 0.000 2.396 21 I HA 0.416 4.585 4.170 -0.001 0.000 0.289 21 I C 0.559 176.650 176.117 -0.044 0.000 1.056 21 I CA 0.255 61.549 61.300 -0.011 0.000 1.365 21 I CB 1.021 39.028 38.000 0.013 0.000 1.407 21 I HN 1.011 nan 8.210 nan 0.000 0.509 22 T N 2.353 116.886 114.554 -0.035 0.000 2.916 22 T HA 0.658 5.007 4.350 -0.001 0.000 0.292 22 T C -0.169 174.515 174.700 -0.026 0.000 1.055 22 T CA -1.020 61.054 62.100 -0.042 0.000 1.009 22 T CB 1.965 70.806 68.868 -0.046 0.000 1.118 22 T HN 0.557 nan 8.240 nan 0.000 0.497 23 A N 1.365 124.169 122.820 -0.027 0.000 2.990 23 A HA 0.686 5.005 4.320 -0.001 0.000 0.282 23 A C 1.192 178.767 177.584 -0.016 0.000 1.688 23 A CA 0.211 52.238 52.037 -0.018 0.000 1.391 23 A CB -1.647 17.343 19.000 -0.017 0.000 1.112 23 A HN 2.152 nan 8.150 nan 0.000 0.588 24 G N 2.656 111.448 108.800 -0.013 0.000 2.699 24 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.686 24 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.686 24 G C -1.255 173.637 174.900 -0.014 0.000 1.301 24 G CA -0.305 44.788 45.100 -0.011 0.000 0.816 24 G HN 0.366 nan 8.290 nan 0.000 0.595 25 P HA -0.131 nan 4.420 nan 0.000 0.216 25 P C 1.076 178.367 177.300 -0.015 0.000 1.150 25 P CA 1.412 64.505 63.100 -0.012 0.000 0.843 25 P CB 0.097 31.792 31.700 -0.009 0.000 0.787 26 R N -0.249 120.243 120.500 -0.015 0.000 2.652 26 R HA 0.366 4.706 4.340 -0.001 0.000 0.372 26 R C 0.927 177.215 176.300 -0.019 0.000 1.104 26 R CA -0.265 55.825 56.100 -0.016 0.000 1.072 26 R CB 0.834 31.127 30.300 -0.013 0.000 1.367 26 R HN 0.151 nan 8.270 nan 0.000 0.577 27 G N 1.382 110.169 108.800 -0.022 0.000 2.511 27 G HA2 0.465 4.424 3.960 -0.001 0.000 0.316 27 G HA3 0.465 4.424 3.960 -0.001 0.000 0.316 27 G C -2.566 172.314 174.900 -0.034 0.000 1.210 27 G CA -1.234 43.852 45.100 -0.024 0.000 0.969 27 G HN -0.116 nan 8.290 nan 0.000 0.492 28 P HA 0.184 nan 4.420 nan 0.000 0.272 28 P C 0.091 177.354 177.300 -0.062 0.000 1.230 28 P CA -0.200 62.872 63.100 -0.047 0.000 0.788 28 P CB 0.562 32.240 31.700 -0.036 0.000 0.949 29 M N 1.014 120.559 119.600 -0.092 0.000 2.243 29 M HA 0.169 4.648 4.480 -0.001 0.000 0.341 29 M C 0.001 176.248 176.300 -0.087 0.000 1.130 29 M CA 0.174 55.399 55.300 -0.126 0.000 1.162 29 M CB 0.079 32.540 32.600 -0.233 0.000 1.497 29 M HN 0.145 nan 8.290 nan 0.000 0.456 30 L N 2.499 123.679 121.223 -0.072 0.000 2.343 30 L HA 0.195 4.535 4.340 -0.001 0.000 0.275 30 L C 0.897 177.757 176.870 -0.017 0.000 1.056 30 L CA -0.595 54.226 54.840 -0.032 0.000 0.804 30 L CB 1.331 43.382 42.059 -0.013 0.000 1.203 30 L HN 0.709 nan 8.230 nan 0.000 0.440 31 L N 2.384 123.613 121.223 0.010 0.000 2.201 31 L HA -0.186 4.153 4.340 -0.001 0.000 0.212 31 L C 2.415 179.324 176.870 0.065 0.000 1.105 31 L CA 1.572 56.438 54.840 0.043 0.000 0.775 31 L CB -0.517 41.566 42.059 0.040 0.000 0.913 31 L HN 0.802 nan 8.230 nan 0.000 0.440 32 Q N -1.248 118.582 119.800 0.051 0.000 2.541 32 Q HA -0.163 4.176 4.340 -0.001 0.000 0.215 32 Q C 0.137 176.189 176.000 0.087 0.000 0.977 32 Q CA 0.631 56.471 55.803 0.062 0.000 0.934 32 Q CB -0.670 28.095 28.738 0.045 0.000 0.988 32 Q HN 0.383 nan 8.270 nan 0.000 0.521 33 D N 1.928 122.389 120.400 0.102 0.000 2.498 33 D HA 0.009 4.648 4.640 -0.001 0.000 0.229 33 D C 1.248 177.675 176.300 0.212 0.000 1.188 33 D CA -0.148 53.943 54.000 0.151 0.000 1.028 33 D CB 1.075 41.951 40.800 0.127 0.000 1.087 33 D HN 0.217 nan 8.370 nan 0.000 0.510 34 V N 2.186 122.210 119.914 0.184 0.000 2.759 34 V HA -0.086 4.033 4.120 -0.001 0.000 0.256 34 V C 2.048 178.275 176.094 0.221 0.000 1.080 34 V CA 0.693 63.098 62.300 0.175 0.000 1.101 34 V CB -0.918 30.990 31.823 0.142 0.000 0.698 34 V HN 0.592 nan 8.190 nan 0.000 0.477 35 W N 0.370 121.721 121.300 0.085 0.000 2.418 35 W HA -0.168 4.492 4.660 -0.001 0.000 0.292 35 W C 2.245 178.806 176.519 0.070 0.000 1.213 35 W CA 1.238 58.620 57.345 0.061 0.000 1.283 35 W CB -0.238 29.252 29.460 0.050 0.000 1.119 35 W HN 0.396 nan 8.180 nan 0.000 0.542 36 F N 1.857 121.729 119.950 -0.131 0.000 2.095 36 F HA -0.240 4.286 4.527 -0.001 0.000 0.298 36 F C 2.227 177.897 175.800 -0.217 0.000 1.104 36 F CA 2.319 60.180 58.000 -0.230 0.000 1.232 36 F CB -0.930 38.024 39.000 -0.077 0.000 0.987 36 F HN -0.240 nan 8.300 nan 0.000 0.475 37 L N 0.143 121.235 121.223 -0.217 0.000 2.046 37 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 37 L C 2.589 179.299 176.870 -0.267 0.000 1.077 37 L CA 2.032 56.728 54.840 -0.240 0.000 0.747 37 L CB -0.940 41.124 42.059 0.009 0.000 0.896 37 L HN 0.293 nan 8.230 nan 0.000 0.432 38 E N 0.595 120.672 120.200 -0.205 0.000 2.047 38 E HA -0.266 4.083 4.350 -0.001 0.000 0.191 38 E C 2.271 178.692 176.600 -0.299 0.000 0.987 38 E CA 1.220 57.542 56.400 -0.130 0.000 0.799 38 E CB 0.092 29.782 29.700 -0.016 0.000 0.752 38 E HN 0.274 nan 8.360 nan 0.000 0.449 39 K N 0.142 120.080 120.400 -0.771 0.000 2.026 39 K HA -0.142 4.178 4.320 -0.001 0.000 0.208 39 K C 2.157 178.503 176.600 -0.423 0.000 1.048 39 K CA 1.072 56.860 56.287 -0.832 0.000 0.929 39 K CB -0.004 31.732 32.500 -1.274 0.000 0.713 39 K HN 0.181 nan 8.250 nan 0.000 0.439 40 L N 0.456 121.372 121.223 -0.513 0.000 2.156 40 L HA -0.050 4.290 4.340 -0.001 0.000 0.208 40 L C 2.459 179.259 176.870 -0.117 0.000 1.095 40 L CA 1.529 56.177 54.840 -0.320 0.000 0.770 40 L CB -1.201 40.483 42.059 -0.626 0.000 0.914 40 L HN 0.269 nan 8.230 nan 0.000 0.439 41 A N -1.408 121.312 122.820 -0.167 0.000 1.929 41 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 41 A C 2.103 179.624 177.584 -0.107 0.000 1.176 41 A CA 0.942 52.905 52.037 -0.123 0.000 0.628 41 A CB -0.609 18.311 19.000 -0.132 0.000 0.816 41 A HN 0.428 nan 8.150 nan 0.000 0.444 42 H N -2.385 116.618 119.070 -0.112 0.000 2.395 42 H HA -0.081 4.475 4.556 -0.001 0.000 0.299 42 H C 1.948 177.240 175.328 -0.061 0.000 1.070 42 H CA 1.663 57.662 56.048 -0.082 0.000 1.356 42 H CB -0.206 29.511 29.762 -0.075 0.000 1.401 42 H HN 0.616 nan 8.280 nan 0.000 0.524 43 F N 2.565 122.480 119.950 -0.057 0.000 2.102 43 F HA -0.169 4.358 4.527 -0.001 0.000 0.298 43 F C 1.711 177.453 175.800 -0.096 0.000 1.105 43 F CA 1.253 59.197 58.000 -0.094 0.000 1.239 43 F CB -0.253 38.669 39.000 -0.129 0.000 0.991 43 F HN -0.058 nan 8.300 nan 0.000 0.474 44 D N 0.331 120.557 120.400 -0.291 0.000 2.351 44 D HA -0.116 4.524 4.640 -0.001 0.000 0.216 44 D C 1.378 177.498 176.300 -0.299 0.000 0.968 44 D CA 0.973 54.759 54.000 -0.357 0.000 0.899 44 D CB -0.261 40.444 40.800 -0.159 0.000 0.907 44 D HN 0.429 nan 8.370 nan 0.000 0.514 45 R N 0.057 120.408 120.500 -0.248 0.000 2.662 45 R HA 0.193 4.532 4.340 -0.001 0.000 0.396 45 R C 1.068 177.255 176.300 -0.189 0.000 1.096 45 R CA -0.099 55.884 56.100 -0.195 0.000 1.081 45 R CB 0.581 30.778 30.300 -0.172 0.000 1.382 45 R HN 0.121 nan 8.270 nan 0.000 0.580 46 E N 0.396 120.449 120.200 -0.246 0.000 2.152 46 E HA -0.027 4.322 4.350 -0.001 0.000 0.192 46 E C 0.237 176.682 176.600 -0.259 0.000 0.983 46 E CA 0.682 56.922 56.400 -0.266 0.000 0.818 46 E CB 0.406 29.943 29.700 -0.271 0.000 0.758 46 E HN -0.004 nan 8.360 nan 0.000 0.467 47 V N 3.308 123.115 119.914 -0.178 0.000 2.530 47 V HA 0.162 4.281 4.120 -0.001 0.000 0.282 47 V C 0.317 176.404 176.094 -0.013 0.000 1.048 47 V CA -0.235 62.019 62.300 -0.076 0.000 0.997 47 V CB 0.541 32.318 31.823 -0.076 0.000 0.987 47 V HN 0.124 nan 8.190 nan 0.000 0.477 48 I N 3.081 123.703 120.570 0.085 0.000 2.863 48 I HA 0.746 4.916 4.170 -0.001 0.000 0.311 48 I C -2.633 173.506 176.117 0.036 0.000 1.026 48 I CA -2.861 58.475 61.300 0.061 0.000 1.077 48 I CB 1.694 39.775 38.000 0.135 0.000 1.262 48 I HN 0.342 nan 8.210 nan 0.000 0.461 49 P HA 0.113 nan 4.420 nan 0.000 0.269 49 P C -1.053 176.282 177.300 0.059 0.000 1.209 49 P CA -0.170 62.942 63.100 0.020 0.000 0.776 49 P CB 0.453 32.150 31.700 -0.004 0.000 0.876 50 E N 2.323 122.574 120.200 0.085 0.000 2.369 50 E HA 0.238 4.587 4.350 -0.001 0.000 0.255 50 E C -0.489 176.174 176.600 0.105 0.000 1.172 50 E CA -0.857 55.602 56.400 0.098 0.000 0.932 50 E CB 0.574 30.335 29.700 0.102 0.000 1.040 50 E HN 0.239 nan 8.360 nan 0.000 0.454 51 R N 0.535 121.102 120.500 0.111 0.000 2.537 51 R HA 0.018 4.357 4.340 -0.001 0.000 0.280 51 R C 1.038 177.412 176.300 0.124 0.000 1.058 51 R CA -0.226 55.946 56.100 0.120 0.000 1.057 51 R CB 0.349 30.735 30.300 0.144 0.000 0.973 51 R HN 0.540 nan 8.270 nan 0.000 0.438 52 R N 2.280 122.847 120.500 0.113 0.000 2.152 52 R HA 0.016 4.355 4.340 -0.001 0.000 0.232 52 R C 0.150 176.522 176.300 0.120 0.000 1.117 52 R CA 1.756 57.917 56.100 0.102 0.000 0.981 52 R CB 0.347 30.695 30.300 0.080 0.000 0.870 52 R HN 0.522 nan 8.270 nan 0.000 0.451 53 M N -1.118 118.598 119.600 0.193 0.000 2.484 53 M HA 0.179 4.658 4.480 -0.001 0.000 0.289 53 M C -0.889 175.666 176.300 0.426 0.000 1.206 53 M CA -0.668 54.787 55.300 0.258 0.000 0.892 53 M CB 1.950 34.818 32.600 0.446 0.000 1.712 53 M HN 0.174 nan 8.290 nan 0.000 0.462 54 F N 0.053 120.075 119.950 0.121 0.000 3.071 54 F HA -0.280 4.246 4.527 -0.001 0.000 0.295 54 F C 1.225 177.081 175.800 0.094 0.000 0.919 54 F CA 0.484 58.551 58.000 0.111 0.000 1.050 54 F CB -1.875 37.179 39.000 0.091 0.000 1.040 54 F HN 0.755 nan 8.300 nan 0.000 0.692 55 A N -0.762 122.187 122.820 0.215 0.000 1.930 55 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 55 A C 1.472 179.168 177.584 0.186 0.000 1.175 55 A CA 1.460 53.603 52.037 0.176 0.000 0.627 55 A CB -0.075 19.004 19.000 0.133 0.000 0.815 55 A HN 0.217 nan 8.150 nan 0.000 0.443 56 K N 0.321 120.834 120.400 0.188 0.000 2.262 56 K HA 0.516 4.835 4.320 -0.001 0.000 0.282 56 K C -0.050 176.707 176.600 0.261 0.000 1.066 56 K CA 0.670 57.082 56.287 0.208 0.000 0.901 56 K CB 0.507 33.113 32.500 0.177 0.000 1.089 56 K HN 0.335 nan 8.250 nan 0.000 0.476 57 G N 0.941 109.917 108.800 0.293 0.000 2.649 57 G HA2 0.571 4.530 3.960 -0.001 0.000 0.290 57 G HA3 0.571 4.530 3.960 -0.001 0.000 0.290 57 G C -1.479 173.641 174.900 0.367 0.000 1.426 57 G CA -0.739 44.527 45.100 0.277 0.000 0.794 57 G HN 0.484 nan 8.290 nan 0.000 0.483 58 S N -1.703 114.143 115.700 0.243 0.000 2.549 58 S HA 0.894 5.364 4.470 -0.001 0.000 0.280 58 S C -0.061 174.529 174.600 -0.016 0.000 1.109 58 S CA -0.189 58.198 58.200 0.312 0.000 0.905 58 S CB 1.996 65.496 63.200 0.501 0.000 1.081 58 S HN 1.388 nan 8.310 nan 0.000 0.477 59 G N 0.119 108.911 108.800 -0.013 0.000 2.680 59 G HA2 0.880 4.839 3.960 -0.001 0.000 0.290 59 G HA3 0.880 4.839 3.960 -0.001 0.000 0.290 59 G C -1.598 173.151 174.900 -0.252 0.000 1.355 59 G CA -0.586 44.284 45.100 -0.384 0.000 0.903 59 G HN 1.079 nan 8.290 nan 0.000 0.474 60 A N -0.575 121.881 122.820 -0.607 0.000 2.605 60 A HA 0.717 5.036 4.320 -0.001 0.000 0.294 60 A C -1.714 175.643 177.584 -0.378 0.000 1.062 60 A CA -0.720 51.165 52.037 -0.254 0.000 0.682 60 A CB 0.838 19.800 19.000 -0.062 0.000 1.278 60 A HN 0.620 nan 8.150 nan 0.000 0.410 61 F N 0.751 120.750 119.950 0.082 0.000 2.379 61 F HA 0.692 5.219 4.527 -0.001 0.000 0.332 61 F C 1.199 177.014 175.800 0.026 0.000 1.096 61 F CA 1.174 59.251 58.000 0.127 0.000 1.105 61 F CB 2.173 41.265 39.000 0.154 0.000 1.189 61 F HN 0.923 nan 8.300 nan 0.000 0.515 62 G N 0.179 109.124 108.800 0.243 0.000 2.706 62 G HA2 0.613 4.572 3.960 -0.001 0.000 0.307 62 G HA3 0.613 4.572 3.960 -0.001 0.000 0.307 62 G C -1.717 173.314 174.900 0.218 0.000 1.307 62 G CA -0.770 44.442 45.100 0.187 0.000 0.790 62 G HN 0.486 nan 8.290 nan 0.000 0.503 63 T N 0.203 114.911 114.554 0.256 0.000 2.886 63 T HA 0.535 4.884 4.350 -0.001 0.000 0.292 63 T C -1.640 173.284 174.700 0.373 0.000 1.012 63 T CA -0.220 62.041 62.100 0.269 0.000 0.982 63 T CB 1.871 70.845 68.868 0.176 0.000 1.018 63 T HN 0.477 nan 8.240 nan 0.000 0.451 64 F N 2.411 122.514 119.950 0.255 0.000 2.421 64 F HA 0.643 5.169 4.527 -0.001 0.000 0.337 64 F C -0.190 175.648 175.800 0.063 0.000 1.105 64 F CA -0.215 57.953 58.000 0.280 0.000 1.049 64 F CB 1.337 40.605 39.000 0.447 0.000 1.139 64 F HN 0.452 nan 8.300 nan 0.000 0.479 65 T N 5.518 119.520 114.554 -0.921 0.000 2.848 65 T HA 0.445 4.794 4.350 -0.001 0.000 0.285 65 T C -0.965 173.197 174.700 -0.896 0.000 0.995 65 T CA -0.600 61.041 62.100 -0.764 0.000 0.970 65 T CB 1.545 69.918 68.868 -0.826 0.000 0.976 65 T HN 0.349 nan 8.240 nan 0.000 0.441 66 V N 3.765 123.461 119.914 -0.362 0.000 2.530 66 V HA 0.296 4.415 4.120 -0.001 0.000 0.282 66 V C 1.559 177.627 176.094 -0.044 0.000 1.048 66 V CA -0.088 62.160 62.300 -0.087 0.000 0.997 66 V CB 0.969 32.889 31.823 0.163 0.000 0.987 66 V HN 1.179 nan 8.190 nan 0.000 0.477 67 T N 0.439 115.024 114.554 0.052 0.000 2.978 67 T HA 0.230 4.580 4.350 -0.001 0.000 0.248 67 T C 0.439 175.059 174.700 -0.134 0.000 1.018 67 T CA 0.205 62.328 62.100 0.039 0.000 1.026 67 T CB 0.079 69.068 68.868 0.201 0.000 1.032 67 T HN 0.647 nan 8.240 nan 0.000 0.485 68 H N 0.459 119.572 119.070 0.070 0.000 2.747 68 H HA 0.602 5.157 4.556 -0.001 0.000 0.371 68 H C -1.293 174.063 175.328 0.048 0.000 1.161 68 H CA -0.961 55.120 56.048 0.056 0.000 1.167 68 H CB 1.397 31.192 29.762 0.056 0.000 1.732 68 H HN 0.020 nan 8.280 nan 0.000 0.544 69 D N 2.311 122.789 120.400 0.131 0.000 2.339 69 D HA 0.104 4.744 4.640 -0.001 0.000 0.241 69 D C 0.342 176.659 176.300 0.027 0.000 1.183 69 D CA -0.124 53.911 54.000 0.058 0.000 0.859 69 D CB 0.501 41.310 40.800 0.015 0.000 1.067 69 D HN 0.645 nan 8.370 nan 0.000 0.484 70 I N 0.919 121.488 120.570 -0.002 0.000 3.833 70 I HA 0.138 4.308 4.170 -0.001 0.000 0.328 70 I C 1.548 177.583 176.117 -0.137 0.000 1.554 70 I CA -0.499 60.777 61.300 -0.041 0.000 1.116 70 I CB 0.363 38.379 38.000 0.026 0.000 1.182 70 I HN 0.100 nan 8.210 nan 0.000 0.459 71 T N -0.809 113.673 114.554 -0.121 0.000 2.929 71 T HA -0.165 4.185 4.350 -0.001 0.000 0.271 71 T C 1.641 176.232 174.700 -0.181 0.000 1.085 71 T CA 1.581 63.610 62.100 -0.118 0.000 1.125 71 T CB -0.414 68.415 68.868 -0.064 0.000 0.874 71 T HN 0.718 nan 8.240 nan 0.000 0.494 72 K N -0.413 119.796 120.400 -0.318 0.000 2.365 72 K HA -0.040 4.280 4.320 -0.001 0.000 0.199 72 K C 1.234 177.534 176.600 -0.500 0.000 1.045 72 K CA 0.850 56.892 56.287 -0.408 0.000 0.962 72 K CB -0.304 31.863 32.500 -0.554 0.000 0.759 72 K HN 0.407 nan 8.250 nan 0.000 0.469 73 Y N 0.928 121.021 120.300 -0.344 0.000 2.522 73 Y HA 0.203 4.753 4.550 -0.001 0.000 0.277 73 Y C 0.842 176.592 175.900 -0.249 0.000 1.104 73 Y CA 0.020 57.799 58.100 -0.536 0.000 1.260 73 Y CB 0.663 38.859 38.460 -0.441 0.000 1.151 73 Y HN -0.000 nan 8.280 nan 0.000 0.539 74 T N 0.343 114.771 114.554 -0.210 0.000 2.912 74 T HA 0.374 4.723 4.350 -0.001 0.000 0.299 74 T C 0.349 174.953 174.700 -0.161 0.000 1.052 74 T CA -0.839 61.071 62.100 -0.318 0.000 0.996 74 T CB 1.259 69.544 68.868 -0.971 0.000 1.070 74 T HN 0.355 nan 8.240 nan 0.000 0.465 75 R N 2.494 122.937 120.500 -0.095 0.000 2.317 75 R HA 0.572 4.912 4.340 -0.001 0.000 0.208 75 R C 0.781 177.053 176.300 -0.047 0.000 0.914 75 R CA -0.194 55.881 56.100 -0.042 0.000 1.060 75 R CB -0.087 30.213 30.300 -0.001 0.000 1.015 75 R HN 0.486 nan 8.270 nan 0.000 0.498 76 A N 2.336 125.092 122.820 -0.107 0.000 2.561 76 A HA 0.032 4.351 4.320 -0.001 0.000 0.251 76 A C 0.684 178.167 177.584 -0.168 0.000 1.062 76 A CA -0.182 51.747 52.037 -0.179 0.000 0.761 76 A CB 0.350 19.161 19.000 -0.315 0.000 0.986 76 A HN 0.214 nan 8.150 nan 0.000 0.510 77 K N 2.493 122.803 120.400 -0.149 0.000 2.281 77 K HA -0.151 4.168 4.320 -0.001 0.000 0.203 77 K C 1.548 178.058 176.600 -0.150 0.000 1.046 77 K CA 1.338 57.564 56.287 -0.100 0.000 0.938 77 K CB -0.318 32.152 32.500 -0.050 0.000 0.737 77 K HN 0.886 nan 8.250 nan 0.000 0.458 78 I N -0.160 120.202 120.570 -0.348 0.000 2.493 78 I HA -0.205 3.964 4.170 -0.001 0.000 0.254 78 I C 0.706 176.624 176.117 -0.332 0.000 1.160 78 I CA 1.145 62.188 61.300 -0.430 0.000 1.445 78 I CB 0.132 37.663 38.000 -0.781 0.000 1.086 78 I HN -0.082 nan 8.210 nan 0.000 0.433 79 F N 0.169 120.102 119.950 -0.029 0.000 2.678 79 F HA 0.153 4.679 4.527 -0.001 0.000 0.305 79 F C 2.555 178.347 175.800 -0.012 0.000 1.090 79 F CA 0.374 58.377 58.000 0.005 0.000 1.272 79 F CB -0.876 38.077 39.000 -0.079 0.000 1.060 79 F HN 0.080 nan 8.300 nan 0.000 0.576 80 S N -0.673 115.085 115.700 0.096 0.000 2.420 80 S HA -0.158 4.311 4.470 -0.001 0.000 0.237 80 S C 0.631 175.263 174.600 0.053 0.000 1.023 80 S CA 1.103 59.335 58.200 0.054 0.000 0.991 80 S CB -0.216 62.997 63.200 0.021 0.000 0.792 80 S HN 0.484 nan 8.310 nan 0.000 0.488 81 E N -0.406 119.835 120.200 0.068 0.000 2.383 81 E HA 0.513 4.862 4.350 -0.001 0.000 0.275 81 E C -1.621 175.016 176.600 0.061 0.000 0.918 81 E CA -0.837 55.594 56.400 0.050 0.000 0.764 81 E CB 2.706 32.427 29.700 0.035 0.000 1.252 81 E HN 0.034 nan 8.360 nan 0.000 0.449 82 V N 1.868 121.804 119.914 0.037 0.000 2.555 82 V HA 0.341 4.460 4.120 -0.001 0.000 0.286 82 V C 1.201 177.303 176.094 0.013 0.000 1.044 82 V CA 1.447 63.761 62.300 0.022 0.000 1.026 82 V CB 0.692 32.510 31.823 -0.009 0.000 0.981 82 V HN 1.083 nan 8.190 nan 0.000 0.480 83 G N 3.956 112.758 108.800 0.003 0.000 2.213 83 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.236 83 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.236 83 G C 0.433 175.334 174.900 0.002 0.000 0.991 83 G CA 0.240 45.338 45.100 -0.002 0.000 0.629 83 G HN 0.710 nan 8.290 nan 0.000 0.517 84 K N 1.522 121.935 120.400 0.023 0.000 2.447 84 K HA 0.321 4.641 4.320 -0.001 0.000 0.281 84 K C 0.198 176.826 176.600 0.047 0.000 1.031 84 K CA 0.291 56.604 56.287 0.044 0.000 1.019 84 K CB 0.132 32.673 32.500 0.067 0.000 0.918 84 K HN 0.280 nan 8.250 nan 0.000 0.476 85 K N 2.794 123.227 120.400 0.055 0.000 2.185 85 K HA 0.245 4.564 4.320 -0.001 0.000 0.269 85 K C -0.911 175.772 176.600 0.138 0.000 0.987 85 K CA -0.588 55.745 56.287 0.078 0.000 0.865 85 K CB 1.949 34.483 32.500 0.057 0.000 1.090 85 K HN 0.490 nan 8.250 nan 0.000 0.450 86 T N 2.171 116.861 114.554 0.226 0.000 2.879 86 T HA 0.167 4.516 4.350 -0.001 0.000 0.290 86 T C -0.689 174.196 174.700 0.308 0.000 0.993 86 T CA -0.903 61.354 62.100 0.262 0.000 0.975 86 T CB 1.462 70.510 68.868 0.300 0.000 0.981 86 T HN 0.336 nan 8.240 nan 0.000 0.439 87 E N 2.968 123.331 120.200 0.272 0.000 2.373 87 E HA 0.451 4.800 4.350 -0.001 0.000 0.267 87 E C -0.022 176.825 176.600 0.411 0.000 1.032 87 E CA -0.154 56.429 56.400 0.306 0.000 0.889 87 E CB 0.928 30.763 29.700 0.225 0.000 0.984 87 E HN 0.636 nan 8.360 nan 0.000 0.425 88 M N 0.988 120.775 119.600 0.310 0.000 2.716 88 M HA 0.675 5.154 4.480 -0.001 0.000 0.278 88 M C -1.321 175.025 176.300 0.078 0.000 1.281 88 M CA -1.036 54.262 55.300 -0.004 0.000 0.814 88 M CB 1.546 33.880 32.600 -0.443 0.000 1.719 88 M HN 0.246 nan 8.290 nan 0.000 0.457 89 F N 0.336 119.995 119.950 -0.485 0.000 2.588 89 F HA 0.939 5.465 4.527 -0.001 0.000 0.310 89 F C -1.859 173.514 175.800 -0.711 0.000 1.082 89 F CA -0.629 57.032 58.000 -0.565 0.000 0.929 89 F CB 1.978 40.616 39.000 -0.605 0.000 1.254 89 F HN 1.113 nan 8.300 nan 0.000 0.455 90 A N 5.290 127.098 122.820 -1.687 0.000 2.449 90 A HA 0.828 5.148 4.320 -0.001 0.000 0.302 90 A C -1.514 174.924 177.584 -1.909 0.000 1.048 90 A CA -0.836 50.204 52.037 -1.663 0.000 0.708 90 A CB 1.715 19.764 19.000 -1.584 0.000 1.274 90 A HN 0.861 nan 8.150 nan 0.000 0.410 91 R N 2.082 121.622 120.500 -1.599 0.000 2.502 91 R HA 0.640 4.979 4.340 -0.001 0.000 0.300 91 R C -1.923 173.655 176.300 -1.202 0.000 0.984 91 R CA -0.358 55.033 56.100 -1.180 0.000 0.882 91 R CB 0.900 30.857 30.300 -0.573 0.000 1.180 91 R HN 0.625 nan 8.270 nan 0.000 0.444 92 F N 2.001 121.498 119.950 -0.755 0.000 2.458 92 F HA 0.569 5.095 4.527 -0.001 0.000 0.330 92 F C 0.504 175.830 175.800 -0.790 0.000 1.082 92 F CA -0.555 56.897 58.000 -0.913 0.000 0.995 92 F CB 2.258 40.447 39.000 -1.351 0.000 1.170 92 F HN 0.591 nan 8.300 nan 0.000 0.478 93 S N -0.858 114.707 115.700 -0.226 0.000 2.672 93 S HA 0.693 5.162 4.470 -0.001 0.000 0.271 93 S C -0.671 174.154 174.600 0.375 0.000 1.171 93 S CA -0.886 57.401 58.200 0.145 0.000 0.817 93 S CB 1.499 64.844 63.200 0.243 0.000 1.150 93 S HN 0.707 nan 8.310 nan 0.000 0.478 94 T N -1.753 113.011 114.554 0.350 0.000 2.893 94 T HA 0.723 5.072 4.350 -0.001 0.000 0.279 94 T C 0.797 175.518 174.700 0.036 0.000 0.991 94 T CA -0.310 61.934 62.100 0.240 0.000 0.950 94 T CB 0.634 69.616 68.868 0.190 0.000 1.223 94 T HN 0.536 nan 8.240 nan 0.000 0.585 95 V N 0.040 119.869 119.914 -0.143 0.000 2.721 95 V HA 0.286 4.405 4.120 -0.001 0.000 0.236 95 V C 2.909 178.850 176.094 -0.255 0.000 1.116 95 V CA 0.944 62.941 62.300 -0.504 0.000 1.148 95 V CB -1.103 30.453 31.823 -0.444 0.000 0.886 95 V HN 1.028 nan 8.190 nan 0.000 0.490 96 A N 0.596 123.346 122.820 -0.117 0.000 1.929 96 A HA 0.224 4.544 4.320 -0.001 0.000 0.216 96 A C 1.628 179.201 177.584 -0.020 0.000 1.176 96 A CA 1.122 53.118 52.037 -0.068 0.000 0.628 96 A CB -1.024 17.949 19.000 -0.044 0.000 0.816 96 A HN 0.570 nan 8.150 nan 0.000 0.444 97 G N 0.305 109.112 108.800 0.012 0.000 2.432 97 G HA2 0.404 4.363 3.960 -0.001 0.000 0.239 97 G HA3 0.404 4.363 3.960 -0.001 0.000 0.239 97 G C -0.291 174.641 174.900 0.054 0.000 1.291 97 G CA -0.248 44.875 45.100 0.039 0.000 0.863 97 G HN 0.451 nan 8.290 nan 0.000 0.560 98 E N -0.267 119.964 120.200 0.052 0.000 2.351 98 E HA 0.232 4.582 4.350 -0.001 0.000 0.255 98 E C 1.799 178.447 176.600 0.080 0.000 1.188 98 E CA -0.397 56.040 56.400 0.062 0.000 0.940 98 E CB 0.575 30.303 29.700 0.047 0.000 1.094 98 E HN 0.612 nan 8.360 nan 0.000 0.474 99 R N -0.056 120.498 120.500 0.090 0.000 2.316 99 R HA -0.087 4.253 4.340 -0.001 0.000 0.232 99 R C 1.049 177.397 176.300 0.080 0.000 1.137 99 R CA 1.580 57.743 56.100 0.105 0.000 1.012 99 R CB -0.351 30.023 30.300 0.123 0.000 0.859 99 R HN 0.448 nan 8.270 nan 0.000 0.474 100 G N -0.312 108.524 108.800 0.060 0.000 3.228 100 G HA2 0.424 4.383 3.960 -0.001 0.000 0.245 100 G HA3 0.424 4.383 3.960 -0.001 0.000 0.245 100 G C 0.206 175.131 174.900 0.042 0.000 1.051 100 G CA 0.037 45.163 45.100 0.043 0.000 0.809 100 G HN 0.447 nan 8.290 nan 0.000 0.531 101 A N 0.538 123.390 122.820 0.053 0.000 2.386 101 A HA 0.695 5.015 4.320 -0.001 0.000 0.246 101 A C 0.995 178.611 177.584 0.054 0.000 1.089 101 A CA 0.338 52.405 52.037 0.050 0.000 0.790 101 A CB 0.149 19.180 19.000 0.052 0.000 1.042 101 A HN 1.101 nan 8.150 nan 0.000 0.497 102 A N 0.427 123.275 122.820 0.047 0.000 2.520 102 A HA 0.302 4.621 4.320 -0.001 0.000 0.245 102 A C 0.623 178.241 177.584 0.056 0.000 1.072 102 A CA 0.102 52.166 52.037 0.044 0.000 0.761 102 A CB -0.098 18.924 19.000 0.036 0.000 1.004 102 A HN 0.781 nan 8.150 nan 0.000 0.499 103 D N 2.226 122.654 120.400 0.047 0.000 2.149 103 D HA -0.014 4.625 4.640 -0.001 0.000 0.201 103 D C 1.342 177.655 176.300 0.022 0.000 0.972 103 D CA 1.870 55.895 54.000 0.042 0.000 0.835 103 D CB -0.061 40.734 40.800 -0.007 0.000 0.966 103 D HN 0.644 nan 8.370 nan 0.000 0.476 104 A N 1.303 124.132 122.820 0.015 0.000 3.118 104 A HA 0.177 4.497 4.320 -0.001 0.000 0.256 104 A C 0.181 177.789 177.584 0.040 0.000 1.667 104 A CA -0.072 51.976 52.037 0.018 0.000 1.338 104 A CB -0.329 18.676 19.000 0.009 0.000 1.127 104 A HN -0.012 nan 8.150 nan 0.000 0.634 105 E N 0.030 120.265 120.200 0.058 0.000 2.235 105 E HA 0.317 4.667 4.350 -0.001 0.000 0.265 105 E C -0.269 176.381 176.600 0.082 0.000 0.940 105 E CA -1.026 55.414 56.400 0.067 0.000 0.819 105 E CB 1.713 31.454 29.700 0.068 0.000 1.206 105 E HN 0.507 nan 8.360 nan 0.000 0.409 106 R N 2.052 122.604 120.500 0.087 0.000 2.291 106 R HA 0.084 4.423 4.340 -0.001 0.000 0.333 106 R C -1.053 175.315 176.300 0.114 0.000 1.082 106 R CA 0.598 56.759 56.100 0.102 0.000 0.948 106 R CB 0.063 30.428 30.300 0.109 0.000 1.009 106 R HN 0.370 nan 8.270 nan 0.000 0.460 107 D N 2.732 123.208 120.400 0.125 0.000 2.725 107 D HA 0.260 4.899 4.640 -0.001 0.000 0.292 107 D C -0.667 175.730 176.300 0.161 0.000 1.288 107 D CA -0.538 53.543 54.000 0.134 0.000 0.784 107 D CB 1.189 42.055 40.800 0.111 0.000 1.308 107 D HN 0.328 nan 8.370 nan 0.000 0.429 108 I N 1.218 121.895 120.570 0.179 0.000 2.720 108 I HA 0.239 4.409 4.170 -0.001 0.000 0.287 108 I C 0.447 176.736 176.117 0.287 0.000 1.090 108 I CA -0.323 61.114 61.300 0.228 0.000 1.384 108 I CB 0.504 38.674 38.000 0.283 0.000 1.420 108 I HN -0.032 nan 8.210 nan 0.000 0.575 109 R N 3.842 124.545 120.500 0.339 0.000 2.338 109 R HA 0.381 4.720 4.340 -0.001 0.000 0.317 109 R C -0.165 176.396 176.300 0.436 0.000 0.968 109 R CA -0.738 55.599 56.100 0.395 0.000 0.849 109 R CB 1.343 31.886 30.300 0.404 0.000 1.128 109 R HN 0.787 nan 8.270 nan 0.000 0.448 110 G N 1.450 110.539 108.800 0.480 0.000 2.441 110 G HA2 0.235 4.194 3.960 -0.001 0.000 0.243 110 G HA3 0.235 4.194 3.960 -0.001 0.000 0.243 110 G C -0.868 174.121 174.900 0.149 0.000 1.281 110 G CA -0.124 45.147 45.100 0.285 0.000 0.854 110 G HN 0.497 nan 8.290 nan 0.000 0.560 111 F N 2.644 122.505 119.950 -0.149 0.000 2.660 111 F HA 0.556 5.083 4.527 -0.001 0.000 0.352 111 F C 0.364 175.858 175.800 -0.510 0.000 1.257 111 F CA -0.883 57.007 58.000 -0.183 0.000 1.200 111 F CB 0.822 39.755 39.000 -0.113 0.000 1.473 111 F HN 0.638 nan 8.300 nan 0.000 0.561 112 A N 5.593 127.933 122.820 -0.801 0.000 2.260 112 A HA 0.773 5.092 4.320 -0.001 0.000 0.308 112 A C -1.125 175.699 177.584 -1.268 0.000 1.254 112 A CA -0.401 50.956 52.037 -1.133 0.000 0.874 112 A CB 0.430 18.379 19.000 -1.751 0.000 1.153 112 A HN 0.632 nan 8.150 nan 0.000 0.527 113 L N 2.075 122.723 121.223 -0.958 0.000 2.346 113 L HA 0.593 4.933 4.340 -0.001 0.000 0.276 113 L C 0.048 176.460 176.870 -0.763 0.000 1.006 113 L CA -0.637 53.575 54.840 -1.047 0.000 0.817 113 L CB 2.126 43.353 42.059 -1.386 0.000 1.272 113 L HN 0.746 nan 8.230 nan 0.000 0.421 114 K N 2.922 122.844 120.400 -0.796 0.000 2.483 114 K HA 0.507 4.826 4.320 -0.001 0.000 0.256 114 K C -1.660 174.330 176.600 -1.017 0.000 0.961 114 K CA -0.426 55.421 56.287 -0.734 0.000 0.873 114 K CB 0.929 33.033 32.500 -0.660 0.000 1.107 114 K HN 0.313 nan 8.250 nan 0.000 0.432 115 F N 3.875 123.453 119.950 -0.620 0.000 2.404 115 F HA 0.282 4.808 4.527 -0.001 0.000 0.354 115 F C -0.317 175.276 175.800 -0.346 0.000 1.122 115 F CA -0.749 56.990 58.000 -0.435 0.000 1.080 115 F CB 0.750 39.582 39.000 -0.281 0.000 1.131 115 F HN 0.419 nan 8.300 nan 0.000 0.471 116 Y N 1.682 122.038 120.300 0.093 0.000 2.636 116 Y HA 0.185 4.735 4.550 -0.001 0.000 0.334 116 Y C 1.134 177.066 175.900 0.052 0.000 1.286 116 Y CA -0.944 57.179 58.100 0.039 0.000 1.688 116 Y CB -0.721 37.743 38.460 0.008 0.000 1.662 116 Y HN 0.549 nan 8.280 nan 0.000 0.465 117 T N -2.373 112.267 114.554 0.144 0.000 2.788 117 T HA 0.063 4.412 4.350 -0.001 0.000 0.287 117 T C 1.169 175.899 174.700 0.050 0.000 1.007 117 T CA -0.555 61.586 62.100 0.069 0.000 1.005 117 T CB 1.008 69.866 68.868 -0.017 0.000 1.012 117 T HN 0.734 nan 8.240 nan 0.000 0.530 118 E N -0.241 119.973 120.200 0.023 0.000 2.516 118 E HA -0.032 4.318 4.350 -0.001 0.000 0.199 118 E C 0.822 177.423 176.600 0.002 0.000 1.069 118 E CA 0.657 57.071 56.400 0.023 0.000 0.876 118 E CB -0.051 29.665 29.700 0.026 0.000 0.843 118 E HN 0.833 nan 8.360 nan 0.000 0.530 119 E N 0.482 120.663 120.200 -0.031 0.000 2.887 119 E HA 0.288 4.638 4.350 -0.001 0.000 0.206 119 E C -0.211 176.339 176.600 -0.082 0.000 0.983 119 E CA -0.052 56.295 56.400 -0.087 0.000 1.141 119 E CB 1.182 30.798 29.700 -0.140 0.000 1.061 119 E HN 0.379 nan 8.360 nan 0.000 0.468 120 G N 1.129 109.913 108.800 -0.026 0.000 2.479 120 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.686 120 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.686 120 G C -1.055 173.859 174.900 0.022 0.000 1.295 120 G CA -1.101 43.992 45.100 -0.011 0.000 0.922 120 G HN 0.220 nan 8.290 nan 0.000 0.582 121 N N -0.050 118.657 118.700 0.012 0.000 2.430 121 N HA 0.387 5.126 4.740 -0.001 0.000 0.265 121 N C -0.716 174.832 175.510 0.065 0.000 1.100 121 N CA -0.246 52.797 53.050 -0.012 0.000 0.961 121 N CB 0.996 39.424 38.487 -0.098 0.000 1.075 121 N HN 0.582 nan 8.380 nan 0.000 0.478 122 W N 4.326 125.566 121.300 -0.100 0.000 2.314 122 W HA 0.296 4.956 4.660 -0.001 0.000 0.310 122 W C -1.163 175.339 176.519 -0.027 0.000 1.075 122 W CA -1.010 56.294 57.345 -0.068 0.000 1.253 122 W CB 0.372 29.757 29.460 -0.124 0.000 1.238 122 W HN 0.392 nan 8.180 nan 0.000 0.440 123 D N 6.718 126.987 120.400 -0.217 0.000 2.274 123 D HA 0.146 4.785 4.640 -0.001 0.000 0.239 123 D C -0.134 175.834 176.300 -0.553 0.000 1.104 123 D CA -0.186 53.606 54.000 -0.347 0.000 0.840 123 D CB 1.542 42.276 40.800 -0.109 0.000 1.100 123 D HN 0.277 nan 8.370 nan 0.000 0.477 124 M N 3.986 123.138 119.600 -0.746 0.000 2.208 124 M HA 0.172 4.652 4.480 -0.001 0.000 0.352 124 M C -1.415 174.632 176.300 -0.421 0.000 1.137 124 M CA -0.805 54.105 55.300 -0.650 0.000 1.091 124 M CB 0.418 32.516 32.600 -0.838 0.000 1.309 124 M HN -0.033 nan 8.290 nan 0.000 0.408 125 V N 5.331 125.085 119.914 -0.267 0.000 2.222 125 V HA 0.474 4.594 4.120 -0.001 0.000 0.253 125 V C 1.002 177.012 176.094 -0.141 0.000 1.210 125 V CA -0.421 61.710 62.300 -0.282 0.000 1.079 125 V CB -0.515 31.126 31.823 -0.302 0.000 1.265 125 V HN 0.852 nan 8.190 nan 0.000 0.494 126 G N 2.943 111.671 108.800 -0.119 0.000 2.753 126 G HA2 0.606 4.565 3.960 -0.001 0.000 0.285 126 G HA3 0.606 4.565 3.960 -0.001 0.000 0.285 126 G C -0.705 174.224 174.900 0.049 0.000 1.344 126 G CA -0.607 44.509 45.100 0.026 0.000 1.050 126 G HN 0.487 nan 8.290 nan 0.000 0.532 127 N N -0.952 117.830 118.700 0.135 0.000 2.629 127 N HA 0.211 4.951 4.740 -0.001 0.000 0.279 127 N C 0.372 176.031 175.510 0.248 0.000 1.344 127 N CA -0.737 52.448 53.050 0.224 0.000 0.789 127 N CB 1.508 40.141 38.487 0.242 0.000 1.508 127 N HN 0.522 nan 8.380 nan 0.000 0.516 128 N N -1.137 117.742 118.700 0.298 0.000 2.370 128 N HA -0.028 4.711 4.740 -0.001 0.000 0.198 128 N C -0.378 175.370 175.510 0.397 0.000 1.156 128 N CA 0.153 53.391 53.050 0.314 0.000 0.839 128 N CB 0.106 38.778 38.487 0.309 0.000 0.989 128 N HN 0.399 nan 8.380 nan 0.000 0.468 129 T N 0.234 114.939 114.554 0.251 0.000 2.893 129 T HA 0.377 4.726 4.350 -0.001 0.000 0.293 129 T C -2.356 172.080 174.700 -0.441 0.000 1.027 129 T CA -1.865 60.185 62.100 -0.083 0.000 0.988 129 T CB 2.277 71.107 68.868 -0.064 0.000 1.043 129 T HN -0.162 nan 8.240 nan 0.000 0.461 130 P HA 0.113 nan 4.420 nan 0.000 0.236 130 P C 0.539 177.557 177.300 -0.470 0.000 1.177 130 P CA 0.369 62.905 63.100 -0.939 0.000 0.773 130 P CB -0.010 31.042 31.700 -1.080 0.000 0.878 131 V N -4.693 114.982 119.914 -0.399 0.000 3.139 131 V HA 0.786 4.905 4.120 -0.001 0.000 0.310 131 V C -0.850 175.196 176.094 -0.080 0.000 1.260 131 V CA -1.113 61.020 62.300 -0.278 0.000 1.064 131 V CB 1.936 33.490 31.823 -0.448 0.000 1.160 131 V HN -0.095 nan 8.190 nan 0.000 0.470 132 F N -1.806 117.993 119.950 -0.253 0.000 2.745 132 F HA 0.625 5.152 4.527 -0.001 0.000 0.316 132 F C 0.286 175.999 175.800 -0.145 0.000 1.155 132 F CA -1.016 56.854 58.000 -0.216 0.000 0.937 132 F CB 1.418 40.399 39.000 -0.032 0.000 1.361 132 F HN 0.538 nan 8.300 nan 0.000 0.472 133 Y N 1.368 121.423 120.300 -0.408 0.000 2.293 133 Y HA 0.077 4.626 4.550 -0.001 0.000 0.291 133 Y C 0.469 176.397 175.900 0.046 0.000 1.137 133 Y CA 0.881 58.863 58.100 -0.197 0.000 1.202 133 Y CB -0.450 37.890 38.460 -0.200 0.000 0.990 133 Y HN 0.087 nan 8.280 nan 0.000 0.537 134 L N -0.840 120.613 121.223 0.383 0.000 2.322 134 L HA 0.500 4.839 4.340 -0.001 0.000 0.269 134 L C 0.975 177.965 176.870 0.200 0.000 1.012 134 L CA -0.862 54.160 54.840 0.304 0.000 0.815 134 L CB 1.738 44.035 42.059 0.396 0.000 1.295 134 L HN -0.191 nan 8.230 nan 0.000 0.438 135 R N -0.739 119.777 120.500 0.027 0.000 2.279 135 R HA 0.177 4.517 4.340 -0.001 0.000 0.195 135 R C -0.437 175.797 176.300 -0.110 0.000 0.905 135 R CA 0.126 56.152 56.100 -0.123 0.000 1.044 135 R CB 0.610 30.619 30.300 -0.485 0.000 1.056 135 R HN 0.625 nan 8.270 nan 0.000 0.535 136 D N 0.395 120.779 120.400 -0.027 0.000 2.649 136 D HA 0.159 4.798 4.640 -0.001 0.000 0.249 136 D C -1.970 174.426 176.300 0.159 0.000 1.112 136 D CA -2.034 52.009 54.000 0.072 0.000 0.850 136 D CB 2.598 43.471 40.800 0.122 0.000 1.399 136 D HN -0.168 nan 8.370 nan 0.000 0.503 137 P HA -0.078 nan 4.420 nan 0.000 0.225 137 P C 1.722 179.138 177.300 0.194 0.000 1.148 137 P CA 0.420 63.618 63.100 0.163 0.000 0.779 137 P CB 0.597 32.349 31.700 0.086 0.000 0.780 138 L N -0.676 120.646 121.223 0.164 0.000 2.275 138 L HA -0.077 4.262 4.340 -0.001 0.000 0.215 138 L C 2.250 179.216 176.870 0.160 0.000 1.119 138 L CA 1.139 56.065 54.840 0.143 0.000 0.790 138 L CB -0.521 41.611 42.059 0.121 0.000 0.919 138 L HN -0.110 nan 8.230 nan 0.000 0.443 139 K N -0.861 119.669 120.400 0.217 0.000 2.444 139 K HA -0.017 4.303 4.320 -0.001 0.000 0.193 139 K C 1.682 178.441 176.600 0.265 0.000 1.024 139 K CA 0.424 56.866 56.287 0.260 0.000 1.077 139 K CB -0.090 32.591 32.500 0.302 0.000 0.833 139 K HN 0.157 nan 8.250 nan 0.000 0.517 140 F N 2.517 122.539 119.950 0.120 0.000 2.146 140 F HA -0.060 4.466 4.527 -0.001 0.000 0.298 140 F C -0.942 174.822 175.800 -0.061 0.000 1.096 140 F CA 0.842 58.903 58.000 0.101 0.000 1.275 140 F CB -0.664 38.417 39.000 0.136 0.000 1.008 140 F HN 0.029 nan 8.300 nan 0.000 0.480 141 P HA -0.133 nan 4.420 nan 0.000 0.217 141 P C 1.110 177.948 177.300 -0.770 0.000 1.150 141 P CA 1.746 64.611 63.100 -0.391 0.000 0.832 141 P CB -0.044 31.484 31.700 -0.287 0.000 0.787 142 D N -0.726 119.358 120.400 -0.527 0.000 2.144 142 D HA -0.126 4.514 4.640 -0.001 0.000 0.200 142 D C 1.895 177.590 176.300 -1.008 0.000 0.978 142 D CA 0.945 54.569 54.000 -0.627 0.000 0.833 142 D CB -0.442 40.184 40.800 -0.289 0.000 0.961 142 D HN 0.108 nan 8.370 nan 0.000 0.470 143 L N 1.460 122.192 121.223 -0.818 0.000 2.056 143 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 143 L C 1.725 178.179 176.870 -0.694 0.000 1.078 143 L CA 1.672 56.013 54.840 -0.832 0.000 0.749 143 L CB -0.682 41.142 42.059 -0.393 0.000 0.901 143 L HN -0.166 nan 8.230 nan 0.000 0.433 144 N N -0.971 117.350 118.700 -0.631 0.000 2.244 144 N HA -0.177 4.562 4.740 -0.001 0.000 0.183 144 N C 1.832 177.208 175.510 -0.224 0.000 1.016 144 N CA 1.418 54.213 53.050 -0.425 0.000 0.866 144 N CB -0.210 38.047 38.487 -0.382 0.000 0.980 144 N HN 0.625 nan 8.380 nan 0.000 0.430 145 H N -1.351 117.491 119.070 -0.381 0.000 2.491 145 H HA -0.012 4.543 4.556 -0.001 0.000 0.290 145 H C 1.393 176.535 175.328 -0.310 0.000 1.050 145 H CA 1.208 57.074 56.048 -0.304 0.000 1.309 145 H CB 0.277 29.860 29.762 -0.299 0.000 1.392 145 H HN 0.382 nan 8.280 nan 0.000 0.554 146 I N -1.573 118.793 120.570 -0.340 0.000 3.708 146 I HA -0.017 4.152 4.170 -0.001 0.000 0.302 146 I C 2.035 177.994 176.117 -0.262 0.000 1.255 146 I CA 0.086 61.190 61.300 -0.328 0.000 1.362 146 I CB -0.192 37.486 38.000 -0.538 0.000 1.100 146 I HN -0.008 nan 8.210 nan 0.000 0.434 147 V N -1.597 118.144 119.914 -0.287 0.000 3.129 147 V HA 0.186 4.306 4.120 -0.001 0.000 0.259 147 V C 1.341 177.365 176.094 -0.117 0.000 1.116 147 V CA 0.540 62.724 62.300 -0.195 0.000 1.127 147 V CB -1.068 30.627 31.823 -0.213 0.000 0.742 147 V HN 0.326 nan 8.190 nan 0.000 0.474 148 K N 0.282 120.614 120.400 -0.113 0.000 2.762 148 K HA 0.511 4.831 4.320 -0.001 0.000 0.292 148 K C -0.094 176.478 176.600 -0.046 0.000 1.008 148 K CA -1.060 55.188 56.287 -0.066 0.000 1.142 148 K CB 0.517 32.983 32.500 -0.058 0.000 1.490 148 K HN 0.190 nan 8.250 nan 0.000 0.581 149 R N 1.680 122.159 120.500 -0.035 0.000 2.490 149 R HA 0.025 4.364 4.340 -0.001 0.000 0.280 149 R C -0.139 176.148 176.300 -0.022 0.000 1.077 149 R CA -0.325 55.759 56.100 -0.027 0.000 1.065 149 R CB 0.281 30.567 30.300 -0.023 0.000 1.003 149 R HN 0.540 nan 8.270 nan 0.000 0.470 150 D N 4.069 124.467 120.400 -0.004 0.000 2.424 150 D HA -0.008 4.632 4.640 -0.001 0.000 0.244 150 D C -1.237 175.069 176.300 0.010 0.000 1.134 150 D CA -1.509 52.514 54.000 0.039 0.000 0.881 150 D CB 1.170 41.967 40.800 -0.006 0.000 1.191 150 D HN 0.303 nan 8.370 nan 0.000 0.445 151 P HA -0.149 nan 4.420 nan 0.000 0.221 151 P C 1.164 178.456 177.300 -0.013 0.000 1.145 151 P CA 1.056 64.138 63.100 -0.030 0.000 0.795 151 P CB 0.476 32.145 31.700 -0.052 0.000 0.775 152 R N -0.179 120.326 120.500 0.008 0.000 2.119 152 R HA 0.012 4.351 4.340 -0.001 0.000 0.202 152 R C 2.400 178.697 176.300 -0.006 0.000 1.114 152 R CA 1.394 57.495 56.100 0.002 0.000 1.089 152 R CB -0.558 29.750 30.300 0.012 0.000 1.000 152 R HN 0.108 nan 8.270 nan 0.000 0.487 153 T N -1.552 112.995 114.554 -0.011 0.000 3.055 153 T HA -0.040 4.310 4.350 -0.001 0.000 0.265 153 T C 0.730 175.419 174.700 -0.018 0.000 1.111 153 T CA 1.030 63.118 62.100 -0.020 0.000 1.118 153 T CB -0.240 68.605 68.868 -0.039 0.000 0.909 153 T HN 0.467 nan 8.240 nan 0.000 0.501 154 N N 0.058 118.748 118.700 -0.017 0.000 2.741 154 N HA -0.145 4.594 4.740 -0.001 0.000 0.250 154 N C -0.702 174.798 175.510 -0.015 0.000 1.115 154 N CA 0.935 53.976 53.050 -0.015 0.000 0.724 154 N CB -1.704 36.777 38.487 -0.011 0.000 1.090 154 N HN 0.701 nan 8.380 nan 0.000 0.558 155 M N -0.051 119.536 119.600 -0.022 0.000 2.591 155 M HA 0.364 4.844 4.480 -0.001 0.000 0.306 155 M C 0.036 176.319 176.300 -0.028 0.000 1.190 155 M CA -0.755 54.532 55.300 -0.021 0.000 0.889 155 M CB 2.032 34.618 32.600 -0.023 0.000 1.728 155 M HN -0.090 nan 8.290 nan 0.000 0.458 156 R N 1.793 122.283 120.500 -0.018 0.000 2.446 156 R HA 0.063 4.403 4.340 -0.001 0.000 0.314 156 R C -0.403 175.880 176.300 -0.029 0.000 1.003 156 R CA 0.143 56.233 56.100 -0.018 0.000 1.018 156 R CB -0.364 29.935 30.300 -0.001 0.000 0.945 156 R HN 0.559 nan 8.270 nan 0.000 0.419 157 N N 3.389 122.055 118.700 -0.058 0.000 2.420 157 N HA 0.027 4.766 4.740 -0.001 0.000 0.249 157 N C 0.960 176.447 175.510 -0.038 0.000 1.033 157 N CA -0.450 52.517 53.050 -0.137 0.000 0.944 157 N CB 0.645 38.899 38.487 -0.388 0.000 1.113 157 N HN 0.385 nan 8.380 nan 0.000 0.502 158 M N 2.150 121.767 119.600 0.028 0.000 2.492 158 M HA -0.018 4.462 4.480 -0.001 0.000 0.262 158 M C 1.814 178.266 176.300 0.254 0.000 1.090 158 M CA 0.558 55.973 55.300 0.190 0.000 1.110 158 M CB -1.031 31.711 32.600 0.236 0.000 1.407 158 M HN 0.661 nan 8.290 nan 0.000 0.470 159 A N -0.466 122.409 122.820 0.092 0.000 1.897 159 A HA -0.135 4.184 4.320 -0.001 0.000 0.215 159 A C 1.857 179.595 177.584 0.256 0.000 1.181 159 A CA 1.121 53.236 52.037 0.130 0.000 0.620 159 A CB -0.675 18.323 19.000 -0.003 0.000 0.821 159 A HN 0.345 nan 8.150 nan 0.000 0.443 160 Y N 0.242 120.576 120.300 0.057 0.000 2.200 160 Y HA -0.107 4.442 4.550 -0.001 0.000 0.290 160 Y C 2.327 178.196 175.900 -0.052 0.000 1.137 160 Y CA 1.014 59.113 58.100 -0.002 0.000 1.163 160 Y CB -0.779 37.647 38.460 -0.055 0.000 0.988 160 Y HN 0.410 nan 8.280 nan 0.000 0.518 161 K N -0.524 119.924 120.400 0.081 0.000 2.009 161 K HA -0.228 4.092 4.320 -0.001 0.000 0.210 161 K C 1.836 178.317 176.600 -0.198 0.000 1.049 161 K CA 2.181 58.361 56.287 -0.178 0.000 0.929 161 K CB -0.532 31.852 32.500 -0.193 0.000 0.714 161 K HN 0.280 nan 8.250 nan 0.000 0.440 162 W N 1.167 122.567 121.300 0.167 0.000 2.678 162 W HA -0.043 4.616 4.660 -0.001 0.000 0.256 162 W C 1.849 178.440 176.519 0.121 0.000 1.280 162 W CA 0.619 58.081 57.345 0.195 0.000 1.345 162 W CB -0.145 29.410 29.460 0.158 0.000 1.118 162 W HN 0.351 nan 8.180 nan 0.000 0.629 163 D N -0.151 120.413 120.400 0.273 0.000 2.097 163 D HA -0.244 4.396 4.640 -0.001 0.000 0.197 163 D C 1.881 178.316 176.300 0.225 0.000 0.984 163 D CA 1.219 55.346 54.000 0.212 0.000 0.826 163 D CB -0.434 40.504 40.800 0.230 0.000 0.973 163 D HN 0.056 nan 8.370 nan 0.000 0.460 164 F N 0.105 120.026 119.950 -0.049 0.000 2.075 164 F HA -0.131 4.395 4.527 -0.001 0.000 0.297 164 F C 1.866 177.586 175.800 -0.134 0.000 1.113 164 F CA 1.363 59.256 58.000 -0.178 0.000 1.218 164 F CB -0.597 38.100 39.000 -0.504 0.000 0.984 164 F HN -0.085 nan 8.300 nan 0.000 0.472 165 F N 0.795 120.689 119.950 -0.093 0.000 2.293 165 F HA -0.104 4.423 4.527 -0.001 0.000 0.300 165 F C 2.904 178.596 175.800 -0.180 0.000 1.086 165 F CA 1.103 58.960 58.000 -0.239 0.000 1.375 165 F CB -1.599 37.234 39.000 -0.278 0.000 1.045 165 F HN 0.141 nan 8.300 nan 0.000 0.516 166 S N -1.502 114.230 115.700 0.054 0.000 2.474 166 S HA -0.152 4.318 4.470 -0.001 0.000 0.235 166 S C 1.615 176.065 174.600 -0.250 0.000 0.997 166 S CA 1.080 59.212 58.200 -0.113 0.000 0.949 166 S CB -0.689 62.423 63.200 -0.148 0.000 0.766 166 S HN 0.445 nan 8.310 nan 0.000 0.517 167 H N 0.531 119.540 119.070 -0.101 0.000 2.575 167 H HA 0.416 4.971 4.556 -0.001 0.000 0.267 167 H C -0.116 175.090 175.328 -0.203 0.000 0.966 167 H CA 0.197 56.161 56.048 -0.139 0.000 1.165 167 H CB 0.295 29.974 29.762 -0.139 0.000 1.433 167 H HN 0.388 nan 8.280 nan 0.000 0.544 168 L N 2.014 123.151 121.223 -0.143 0.000 2.408 168 L HA 0.252 4.591 4.340 -0.001 0.000 0.257 168 L C -1.942 174.788 176.870 -0.234 0.000 1.053 168 L CA -1.623 53.098 54.840 -0.198 0.000 0.922 168 L CB 2.067 43.980 42.059 -0.244 0.000 1.261 168 L HN -0.161 nan 8.230 nan 0.000 0.458 169 P HA -0.143 nan 4.420 nan 0.000 0.226 169 P C 1.265 178.283 177.300 -0.471 0.000 1.153 169 P CA 0.663 63.448 63.100 -0.525 0.000 0.777 169 P CB 0.207 31.383 31.700 -0.873 0.000 0.794 170 E N 0.477 120.455 120.200 -0.371 0.000 2.268 170 E HA -0.131 4.218 4.350 -0.001 0.000 0.195 170 E C 1.475 178.086 176.600 0.019 0.000 0.995 170 E CA 1.584 57.980 56.400 -0.007 0.000 0.836 170 E CB -1.010 28.777 29.700 0.145 0.000 0.763 170 E HN 0.334 nan 8.360 nan 0.000 0.491 171 S N 0.880 116.567 115.700 -0.022 0.000 2.515 171 S HA 0.016 4.485 4.470 -0.001 0.000 0.231 171 S C 2.125 176.699 174.600 -0.044 0.000 0.987 171 S CA 0.164 58.356 58.200 -0.013 0.000 0.936 171 S CB -0.615 62.565 63.200 -0.034 0.000 0.766 171 S HN 0.213 nan 8.310 nan 0.000 0.528 172 L N 0.689 121.906 121.223 -0.010 0.000 2.127 172 L HA -0.164 4.175 4.340 -0.001 0.000 0.211 172 L C 2.803 179.799 176.870 0.210 0.000 1.089 172 L CA 1.945 56.840 54.840 0.092 0.000 0.757 172 L CB -0.795 41.323 42.059 0.098 0.000 0.899 172 L HN 0.515 nan 8.230 nan 0.000 0.434 173 H N -0.783 118.317 119.070 0.049 0.000 2.321 173 H HA -0.224 4.331 4.556 -0.001 0.000 0.300 173 H C 2.416 177.741 175.328 -0.006 0.000 1.087 173 H CA 1.347 57.423 56.048 0.046 0.000 1.319 173 H CB 0.422 30.189 29.762 0.008 0.000 1.379 173 H HN 0.187 nan 8.280 nan 0.000 0.501 174 Q N 0.770 120.544 119.800 -0.042 0.000 2.123 174 Q HA -0.047 4.292 4.340 -0.001 0.000 0.199 174 Q C 2.332 178.242 176.000 -0.150 0.000 0.966 174 Q CA 0.985 56.621 55.803 -0.278 0.000 0.845 174 Q CB -0.172 28.132 28.738 -0.723 0.000 0.907 174 Q HN 0.534 nan 8.270 nan 0.000 0.439 175 L N -0.465 120.744 121.223 -0.024 0.000 2.131 175 L HA -0.157 4.183 4.340 -0.001 0.000 0.210 175 L C 2.099 179.132 176.870 0.272 0.000 1.092 175 L CA 1.555 56.466 54.840 0.119 0.000 0.759 175 L CB -0.534 41.604 42.059 0.131 0.000 0.903 175 L HN 0.222 nan 8.230 nan 0.000 0.435 176 T N -0.108 114.634 114.554 0.312 0.000 2.821 176 T HA -0.081 4.268 4.350 -0.001 0.000 0.267 176 T C 1.906 176.731 174.700 0.208 0.000 1.046 176 T CA 1.118 63.431 62.100 0.356 0.000 1.139 176 T CB -0.077 69.047 68.868 0.428 0.000 0.871 176 T HN 0.200 nan 8.240 nan 0.000 0.454 177 I N 1.147 121.798 120.570 0.135 0.000 2.286 177 I HA -0.130 4.040 4.170 -0.001 0.000 0.245 177 I C 2.231 178.397 176.117 0.081 0.000 1.104 177 I CA 1.060 62.404 61.300 0.075 0.000 1.397 177 I CB -0.303 37.691 38.000 -0.010 0.000 1.072 177 I HN 0.095 nan 8.210 nan 0.000 0.417 178 D N 0.664 121.114 120.400 0.082 0.000 2.123 178 D HA -0.157 4.482 4.640 -0.001 0.000 0.196 178 D C 2.114 178.501 176.300 0.145 0.000 0.992 178 D CA 1.324 55.393 54.000 0.115 0.000 0.833 178 D CB -0.086 40.800 40.800 0.144 0.000 0.954 178 D HN 0.209 nan 8.370 nan 0.000 0.455 179 M N 0.508 120.212 119.600 0.173 0.000 2.541 179 M HA 0.061 4.540 4.480 -0.001 0.000 0.252 179 M C 1.020 177.374 176.300 0.091 0.000 1.125 179 M CA 0.160 55.556 55.300 0.161 0.000 1.091 179 M CB -0.566 32.166 32.600 0.220 0.000 1.420 179 M HN -0.102 nan 8.290 nan 0.000 0.486 180 S N 0.264 116.012 115.700 0.079 0.000 2.634 180 S HA 0.106 4.576 4.470 -0.001 0.000 0.261 180 S C 0.770 175.389 174.600 0.032 0.000 1.271 180 S CA -0.453 57.768 58.200 0.035 0.000 0.985 180 S CB 1.064 64.291 63.200 0.044 0.000 0.968 180 S HN 0.159 nan 8.310 nan 0.000 0.568 181 D N 0.506 120.911 120.400 0.007 0.000 2.182 181 D HA -0.062 4.577 4.640 -0.001 0.000 0.201 181 D C 1.861 178.183 176.300 0.037 0.000 0.986 181 D CA 1.158 55.164 54.000 0.010 0.000 0.847 181 D CB -0.280 40.511 40.800 -0.015 0.000 0.942 181 D HN 0.545 nan 8.370 nan 0.000 0.467 182 R N 0.103 120.635 120.500 0.053 0.000 2.339 182 R HA 0.056 4.395 4.340 -0.001 0.000 0.199 182 R C 1.979 178.338 176.300 0.100 0.000 1.018 182 R CA 0.602 56.752 56.100 0.082 0.000 1.036 182 R CB -0.126 30.235 30.300 0.102 0.000 0.899 182 R HN 0.112 nan 8.270 nan 0.000 0.473 183 G N 0.210 109.064 108.800 0.090 0.000 2.650 183 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.214 183 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.214 183 G C 0.564 175.528 174.900 0.106 0.000 1.136 183 G CA 0.018 45.180 45.100 0.104 0.000 0.789 183 G HN 0.166 nan 8.290 nan 0.000 0.536 184 L N 1.166 122.442 121.223 0.089 0.000 2.481 184 L HA 0.368 4.707 4.340 -0.001 0.000 0.255 184 L C -2.633 174.279 176.870 0.072 0.000 1.192 184 L CA -1.805 53.083 54.840 0.080 0.000 0.924 184 L CB 2.705 44.802 42.059 0.062 0.000 1.179 184 L HN -0.112 nan 8.230 nan 0.000 0.491 185 P HA 0.061 nan 4.420 nan 0.000 0.274 185 P C 0.448 177.795 177.300 0.078 0.000 1.246 185 P CA -0.477 62.685 63.100 0.103 0.000 0.795 185 P CB 0.961 32.755 31.700 0.158 0.000 1.006 186 L N 0.926 122.204 121.223 0.090 0.000 2.109 186 L HA 0.015 4.354 4.340 -0.001 0.000 0.207 186 L C 0.658 177.600 176.870 0.120 0.000 1.086 186 L CA 2.126 57.005 54.840 0.066 0.000 0.760 186 L CB -0.563 41.469 42.059 -0.046 0.000 0.910 186 L HN 0.627 nan 8.230 nan 0.000 0.437 187 S N -4.869 110.957 115.700 0.211 0.000 2.694 187 S HA 0.203 4.672 4.470 -0.001 0.000 0.273 187 S C 0.270 174.899 174.600 0.049 0.000 1.180 187 S CA -0.289 57.928 58.200 0.029 0.000 0.864 187 S CB -0.348 62.912 63.200 0.100 0.000 1.198 187 S HN -0.006 nan 8.310 nan 0.000 0.499 188 Y N 1.049 121.364 120.300 0.026 0.000 2.516 188 Y HA 0.285 4.834 4.550 -0.001 0.000 0.291 188 Y C 2.478 178.255 175.900 -0.204 0.000 1.131 188 Y CA 0.529 58.534 58.100 -0.158 0.000 1.281 188 Y CB -0.469 37.850 38.460 -0.235 0.000 1.013 188 Y HN 0.491 nan 8.280 nan 0.000 0.554 189 R N -0.941 119.475 120.500 -0.140 0.000 2.236 189 R HA 0.015 4.354 4.340 -0.001 0.000 0.208 189 R C -0.044 175.834 176.300 -0.702 0.000 1.036 189 R CA 0.646 56.468 56.100 -0.463 0.000 1.001 189 R CB -0.174 29.610 30.300 -0.860 0.000 0.896 189 R HN 0.229 nan 8.270 nan 0.000 0.464 190 F N 0.577 120.560 119.950 0.055 0.000 2.923 190 F HA 0.204 4.730 4.527 -0.001 0.000 0.314 190 F C 0.154 175.967 175.800 0.021 0.000 1.196 190 F CA -0.902 57.091 58.000 -0.012 0.000 1.320 190 F CB 0.537 39.519 39.000 -0.031 0.000 0.953 190 F HN -0.285 nan 8.300 nan 0.000 0.505 191 V N -3.585 116.468 119.914 0.232 0.000 2.914 191 V HA 0.598 4.717 4.120 -0.001 0.000 0.314 191 V C -0.327 175.961 176.094 0.323 0.000 1.084 191 V CA -0.887 61.551 62.300 0.231 0.000 0.963 191 V CB 1.809 33.810 31.823 0.297 0.000 1.025 191 V HN 0.052 nan 8.190 nan 0.000 0.432 192 H N 1.108 120.330 119.070 0.252 0.000 2.488 192 H HA 0.769 5.325 4.556 -0.001 0.000 0.347 192 H C 0.400 175.525 175.328 -0.338 0.000 1.174 192 H CA 0.410 56.491 56.048 0.055 0.000 1.307 192 H CB 1.984 31.717 29.762 -0.049 0.000 1.517 192 H HN 1.166 nan 8.280 nan 0.000 0.554 193 G N 0.771 109.135 108.800 -0.726 0.000 2.448 193 G HA2 0.557 4.517 3.960 -0.001 0.000 0.324 193 G HA3 0.557 4.517 3.960 -0.001 0.000 0.324 193 G C -1.480 172.954 174.900 -0.777 0.000 1.203 193 G CA -0.387 43.814 45.100 -1.498 0.000 0.954 193 G HN 0.343 nan 8.290 nan 0.000 0.480 194 F N -0.685 119.146 119.950 -0.198 0.000 2.626 194 F HA 0.535 5.061 4.527 -0.001 0.000 0.311 194 F C 1.118 176.974 175.800 0.094 0.000 1.088 194 F CA -0.467 57.534 58.000 0.002 0.000 0.949 194 F CB 2.384 41.322 39.000 -0.103 0.000 1.322 194 F HN 0.583 nan 8.300 nan 0.000 0.461 195 G N -0.378 108.664 108.800 0.403 0.000 2.683 195 G HA2 0.226 4.186 3.960 -0.001 0.000 0.213 195 G HA3 0.226 4.186 3.960 -0.001 0.000 0.213 195 G C 0.823 175.918 174.900 0.326 0.000 1.142 195 G CA 0.756 46.134 45.100 0.464 0.000 0.793 195 G HN 0.698 nan 8.290 nan 0.000 0.534 196 S N -0.715 115.051 115.700 0.111 0.000 1.637 196 S HA -0.252 4.217 4.470 -0.001 0.000 0.232 196 S C 0.930 175.413 174.600 -0.194 0.000 0.808 196 S CA 1.539 59.657 58.200 -0.136 0.000 1.437 196 S CB -1.269 61.786 63.200 -0.242 0.000 1.838 196 S HN 0.698 nan 8.310 nan 0.000 0.525 197 H N 1.687 120.760 119.070 0.004 0.000 2.597 197 H HA 0.360 4.916 4.556 -0.001 0.000 0.370 197 H C 0.411 175.643 175.328 -0.159 0.000 1.281 197 H CA 0.668 56.637 56.048 -0.132 0.000 1.422 197 H CB 0.153 29.722 29.762 -0.322 0.000 1.524 197 H HN 0.314 nan 8.280 nan 0.000 0.607 198 T N 2.116 116.642 114.554 -0.047 0.000 2.817 198 T HA 0.259 4.608 4.350 -0.001 0.000 0.293 198 T C -0.269 174.430 174.700 -0.002 0.000 0.964 198 T CA -0.064 61.996 62.100 -0.065 0.000 1.085 198 T CB 0.098 69.022 68.868 0.093 0.000 0.921 198 T HN 0.306 nan 8.240 nan 0.000 0.502 199 Y N 0.661 120.993 120.300 0.053 0.000 2.833 199 Y HA 0.633 5.182 4.550 -0.001 0.000 0.323 199 Y C 0.749 176.808 175.900 0.264 0.000 1.220 199 Y CA -0.840 57.363 58.100 0.173 0.000 1.174 199 Y CB 1.412 39.951 38.460 0.131 0.000 1.404 199 Y HN 0.672 nan 8.280 nan 0.000 0.607 200 S N -0.102 115.850 115.700 0.420 0.000 2.549 200 S HA 0.703 5.172 4.470 -0.001 0.000 0.280 200 S C -1.746 173.033 174.600 0.298 0.000 1.109 200 S CA -0.732 57.633 58.200 0.276 0.000 0.905 200 S CB 1.721 65.015 63.200 0.157 0.000 1.081 200 S HN 0.265 nan 8.310 nan 0.000 0.477 201 F N 1.490 121.506 119.950 0.110 0.000 2.495 201 F HA 0.635 5.161 4.527 -0.001 0.000 0.327 201 F C -0.420 175.468 175.800 0.146 0.000 1.103 201 F CA -2.027 56.048 58.000 0.126 0.000 0.949 201 F CB 1.772 40.857 39.000 0.142 0.000 1.142 201 F HN 0.481 nan 8.300 nan 0.000 0.457 202 I N 4.240 124.960 120.570 0.250 0.000 2.436 202 I HA 0.219 4.389 4.170 -0.001 0.000 0.289 202 I C -0.258 175.932 176.117 0.122 0.000 1.010 202 I CA -0.855 60.536 61.300 0.152 0.000 1.098 202 I CB 1.393 39.428 38.000 0.059 0.000 1.266 202 I HN 0.510 nan 8.210 nan 0.000 0.434 203 N N 6.051 124.854 118.700 0.171 0.000 2.476 203 N HA 0.228 4.968 4.740 -0.001 0.000 0.287 203 N C 0.694 176.233 175.510 0.048 0.000 1.262 203 N CA -0.684 52.428 53.050 0.103 0.000 0.980 203 N CB 0.580 39.161 38.487 0.157 0.000 1.163 203 N HN 0.551 nan 8.380 nan 0.000 0.592 204 K N -1.788 118.623 120.400 0.018 0.000 2.280 204 K HA -0.055 4.264 4.320 -0.001 0.000 0.202 204 K C -0.255 176.340 176.600 -0.007 0.000 1.047 204 K CA 1.385 57.669 56.287 -0.006 0.000 0.942 204 K CB -0.141 32.346 32.500 -0.021 0.000 0.739 204 K HN 0.395 nan 8.250 nan 0.000 0.457 205 D N 1.351 121.759 120.400 0.013 0.000 2.336 205 D HA 0.038 4.678 4.640 -0.001 0.000 0.228 205 D C -0.379 175.920 176.300 -0.002 0.000 1.120 205 D CA 0.052 54.055 54.000 0.005 0.000 0.839 205 D CB 0.005 40.815 40.800 0.016 0.000 0.932 205 D HN 0.242 nan 8.370 nan 0.000 0.509 206 N N 1.460 120.160 118.700 0.000 0.000 2.747 206 N HA -0.179 4.561 4.740 -0.001 0.000 0.249 206 N C -0.673 174.808 175.510 -0.048 0.000 1.107 206 N CA 0.714 53.753 53.050 -0.017 0.000 0.707 206 N CB -0.924 37.546 38.487 -0.028 0.000 1.054 206 N HN 0.510 nan 8.380 nan 0.000 0.555 207 E N 0.694 120.874 120.200 -0.034 0.000 2.174 207 E HA 0.267 4.617 4.350 -0.001 0.000 0.282 207 E C 0.350 176.792 176.600 -0.264 0.000 0.992 207 E CA -0.509 55.788 56.400 -0.172 0.000 0.803 207 E CB 1.778 31.388 29.700 -0.151 0.000 1.090 207 E HN 0.138 nan 8.360 nan 0.000 0.396 208 R N 3.278 123.511 120.500 -0.444 0.000 2.349 208 R HA 0.363 4.703 4.340 -0.001 0.000 0.299 208 R C -1.297 174.544 176.300 -0.764 0.000 1.027 208 R CA -0.236 55.584 56.100 -0.468 0.000 0.958 208 R CB 0.472 30.471 30.300 -0.501 0.000 1.047 208 R HN 0.373 nan 8.270 nan 0.000 0.468 209 F N 3.373 123.179 119.950 -0.239 0.000 2.547 209 F HA 0.352 4.879 4.527 -0.001 0.000 0.316 209 F C -0.774 174.911 175.800 -0.193 0.000 1.121 209 F CA -0.626 57.266 58.000 -0.180 0.000 0.911 209 F CB 1.163 40.185 39.000 0.037 0.000 1.179 209 F HN 0.474 nan 8.300 nan 0.000 0.443 210 W N 3.392 124.823 121.300 0.219 0.000 2.272 210 W HA 0.618 5.277 4.660 -0.001 0.000 0.318 210 W C -0.433 176.182 176.519 0.161 0.000 1.255 210 W CA -0.791 56.688 57.345 0.223 0.000 1.200 210 W CB 1.132 30.773 29.460 0.302 0.000 1.170 210 W HN 0.288 nan 8.180 nan 0.000 0.549 211 V N 4.291 124.305 119.914 0.166 0.000 2.925 211 V HA 0.516 4.635 4.120 -0.001 0.000 0.311 211 V C -0.930 174.808 176.094 -0.592 0.000 1.104 211 V CA -1.186 60.915 62.300 -0.332 0.000 0.954 211 V CB 2.081 33.320 31.823 -0.974 0.000 1.022 211 V HN 0.359 nan 8.190 nan 0.000 0.427 212 K N 4.628 124.638 120.400 -0.650 0.000 2.292 212 K HA 0.529 4.849 4.320 -0.001 0.000 0.257 212 K C -1.503 174.821 176.600 -0.459 0.000 0.940 212 K CA -0.226 55.695 56.287 -0.609 0.000 0.811 212 K CB 1.802 33.965 32.500 -0.561 0.000 1.120 212 K HN 0.520 nan 8.250 nan 0.000 0.428 213 F N 2.677 122.559 119.950 -0.113 0.000 2.415 213 F HA 0.313 4.839 4.527 -0.001 0.000 0.348 213 F C 0.853 176.525 175.800 -0.213 0.000 1.119 213 F CA -0.366 57.575 58.000 -0.098 0.000 1.069 213 F CB 0.893 39.940 39.000 0.080 0.000 1.124 213 F HN 0.253 nan 8.300 nan 0.000 0.472 214 H N 4.010 123.036 119.070 -0.074 0.000 2.609 214 H HA 0.342 4.898 4.556 -0.001 0.000 0.344 214 H C -1.377 173.705 175.328 -0.410 0.000 1.040 214 H CA -0.625 55.304 56.048 -0.197 0.000 1.216 214 H CB 1.807 31.492 29.762 -0.127 0.000 1.529 214 H HN 0.411 nan 8.280 nan 0.000 0.519 215 F N 3.055 122.915 119.950 -0.149 0.000 2.366 215 F HA 0.284 4.810 4.527 -0.001 0.000 0.366 215 F C 0.597 176.454 175.800 0.095 0.000 1.096 215 F CA -0.888 57.161 58.000 0.082 0.000 1.060 215 F CB 0.781 39.850 39.000 0.116 0.000 1.282 215 F HN 0.211 nan 8.300 nan 0.000 0.450 216 R N 1.623 122.274 120.500 0.252 0.000 2.316 216 R HA 0.135 4.475 4.340 -0.001 0.000 0.314 216 R C -0.271 176.242 176.300 0.356 0.000 1.069 216 R CA -0.330 55.896 56.100 0.210 0.000 0.959 216 R CB 0.995 31.326 30.300 0.052 0.000 0.987 216 R HN 0.644 nan 8.270 nan 0.000 0.446 217 C N 4.023 123.616 119.300 0.489 0.000 2.651 217 C HA 0.047 4.506 4.460 -0.001 0.000 0.410 217 C C 1.414 176.318 174.990 -0.144 0.000 1.372 217 C CA -0.228 58.738 59.018 -0.086 0.000 1.707 217 C CB -0.153 27.519 27.740 -0.114 0.000 2.501 217 C HN 0.622 nan 8.230 nan 0.000 0.598 218 Q N 3.021 122.610 119.800 -0.351 0.000 2.360 218 Q HA 0.042 4.382 4.340 -0.001 0.000 0.202 218 Q C 1.167 177.050 176.000 -0.196 0.000 0.915 218 Q CA 0.722 56.394 55.803 -0.218 0.000 0.943 218 Q CB 0.246 28.847 28.738 -0.228 0.000 1.064 218 Q HN 0.809 nan 8.270 nan 0.000 0.511 219 Q N -0.546 119.114 119.800 -0.232 0.000 2.281 219 Q HA 0.331 4.670 4.340 -0.001 0.000 0.215 219 Q C 0.346 176.407 176.000 0.100 0.000 0.867 219 Q CA 0.527 56.285 55.803 -0.076 0.000 0.940 219 Q CB 1.222 29.835 28.738 -0.209 0.000 1.111 219 Q HN 0.348 nan 8.270 nan 0.000 0.513 220 G N 0.646 109.462 108.800 0.026 0.000 2.758 220 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.686 220 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.686 220 G C -0.888 174.049 174.900 0.061 0.000 1.389 220 G CA -0.897 44.227 45.100 0.041 0.000 0.845 220 G HN 0.064 nan 8.290 nan 0.000 0.572 221 I N 1.191 121.756 120.570 -0.008 0.000 2.312 221 I HA 0.372 4.541 4.170 -0.001 0.000 0.291 221 I C 0.682 176.781 176.117 -0.030 0.000 1.031 221 I CA 0.006 61.297 61.300 -0.016 0.000 1.293 221 I CB 0.947 38.917 38.000 -0.051 0.000 1.403 221 I HN 0.420 nan 8.210 nan 0.000 0.484 222 K N 6.050 126.428 120.400 -0.037 0.000 2.376 222 K HA 0.499 4.818 4.320 -0.001 0.000 0.257 222 K C -0.695 175.856 176.600 -0.082 0.000 0.939 222 K CA -0.799 55.376 56.287 -0.187 0.000 0.809 222 K CB 2.327 34.468 32.500 -0.598 0.000 1.121 222 K HN 0.458 nan 8.250 nan 0.000 0.425 223 N N 2.219 120.876 118.700 -0.072 0.000 2.453 223 N HA 0.531 5.271 4.740 -0.001 0.000 0.290 223 N C -0.996 174.490 175.510 -0.039 0.000 1.250 223 N CA -0.664 52.372 53.050 -0.025 0.000 0.815 223 N CB 1.583 40.067 38.487 -0.005 0.000 1.381 223 N HN 0.270 nan 8.380 nan 0.000 0.510 224 L N 1.469 122.685 121.223 -0.013 0.000 2.341 224 L HA 0.457 4.796 4.340 -0.001 0.000 0.278 224 L C -0.081 176.786 176.870 -0.005 0.000 1.005 224 L CA -0.762 54.069 54.840 -0.015 0.000 0.818 224 L CB 1.514 43.571 42.059 -0.004 0.000 1.259 224 L HN 0.266 nan 8.230 nan 0.000 0.418 225 M N 1.044 120.636 119.600 -0.012 0.000 2.228 225 M HA 0.118 4.598 4.480 -0.001 0.000 0.326 225 M C 0.854 177.156 176.300 0.003 0.000 1.122 225 M CA 0.029 55.325 55.300 -0.008 0.000 1.161 225 M CB 0.433 33.023 32.600 -0.017 0.000 1.437 225 M HN 0.502 nan 8.290 nan 0.000 0.465 226 D N 0.842 121.248 120.400 0.010 0.000 2.158 226 D HA -0.239 4.400 4.640 -0.001 0.000 0.197 226 D C 1.348 177.656 176.300 0.015 0.000 0.995 226 D CA 1.989 56.000 54.000 0.019 0.000 0.846 226 D CB 0.022 40.837 40.800 0.026 0.000 0.941 226 D HN 0.671 nan 8.370 nan 0.000 0.456 227 D N 0.793 121.198 120.400 0.008 0.000 2.149 227 D HA -0.164 4.475 4.640 -0.001 0.000 0.201 227 D C 1.496 177.798 176.300 0.003 0.000 0.972 227 D CA 0.851 54.854 54.000 0.005 0.000 0.835 227 D CB -0.438 40.362 40.800 0.001 0.000 0.966 227 D HN 0.331 nan 8.370 nan 0.000 0.476 228 E N 0.879 121.078 120.200 -0.001 0.000 2.107 228 E HA -0.016 4.334 4.350 -0.001 0.000 0.191 228 E C 2.265 178.866 176.600 0.000 0.000 0.982 228 E CA 0.933 57.330 56.400 -0.005 0.000 0.809 228 E CB -0.069 29.623 29.700 -0.014 0.000 0.756 228 E HN 0.379 nan 8.360 nan 0.000 0.459 229 A N 1.456 124.279 122.820 0.006 0.000 1.929 229 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 229 A C 1.964 179.557 177.584 0.015 0.000 1.176 229 A CA 1.065 53.109 52.037 0.012 0.000 0.628 229 A CB -0.250 18.762 19.000 0.020 0.000 0.816 229 A HN 0.113 nan 8.150 nan 0.000 0.444 230 E N -0.259 119.950 120.200 0.015 0.000 2.051 230 E HA -0.153 4.196 4.350 -0.001 0.000 0.192 230 E C 2.336 178.944 176.600 0.012 0.000 0.991 230 E CA 0.992 57.401 56.400 0.016 0.000 0.799 230 E CB -0.240 29.470 29.700 0.016 0.000 0.748 230 E HN 0.597 nan 8.360 nan 0.000 0.449 231 A N 0.997 123.822 122.820 0.008 0.000 1.933 231 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 231 A C 2.110 179.698 177.584 0.007 0.000 1.175 231 A CA 1.043 53.084 52.037 0.006 0.000 0.628 231 A CB -0.452 18.550 19.000 0.003 0.000 0.814 231 A HN 0.232 nan 8.150 nan 0.000 0.444 232 L N -0.294 120.934 121.223 0.007 0.000 2.072 232 L HA -0.050 4.290 4.340 -0.001 0.000 0.205 232 L C 2.368 179.244 176.870 0.010 0.000 1.079 232 L CA 1.682 56.526 54.840 0.008 0.000 0.752 232 L CB -0.456 41.606 42.059 0.006 0.000 0.906 232 L HN 0.137 nan 8.230 nan 0.000 0.436 233 V N 0.041 119.963 119.914 0.013 0.000 2.407 233 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 233 V C 2.578 178.680 176.094 0.014 0.000 1.055 233 V CA 1.704 64.013 62.300 0.015 0.000 1.049 233 V CB -1.491 30.343 31.823 0.020 0.000 0.662 233 V HN 0.629 nan 8.190 nan 0.000 0.455 234 G N -0.447 108.360 108.800 0.012 0.000 2.432 234 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.219 234 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.219 234 G C 1.684 176.590 174.900 0.010 0.000 1.135 234 G CA 0.740 45.847 45.100 0.011 0.000 0.767 234 G HN 0.497 nan 8.290 nan 0.000 0.550 235 K N -0.958 119.448 120.400 0.010 0.000 2.242 235 K HA 0.126 4.446 4.320 -0.001 0.000 0.200 235 K C -0.314 176.291 176.600 0.009 0.000 1.050 235 K CA 0.480 56.773 56.287 0.009 0.000 0.981 235 K CB 0.470 32.975 32.500 0.009 0.000 0.795 235 K HN 0.170 nan 8.250 nan 0.000 0.477 236 D N -0.796 119.610 120.400 0.010 0.000 2.891 236 D HA 0.200 4.840 4.640 -0.001 0.000 0.224 236 D C -0.335 175.972 176.300 0.011 0.000 1.321 236 D CA -0.320 53.686 54.000 0.010 0.000 0.929 236 D CB 1.333 42.140 40.800 0.012 0.000 1.551 236 D HN -0.285 nan 8.370 nan 0.000 0.574 237 R N 1.155 121.662 120.500 0.011 0.000 2.276 237 R HA 0.186 4.525 4.340 -0.001 0.000 0.196 237 R C 0.489 176.799 176.300 0.017 0.000 0.961 237 R CA 0.638 56.747 56.100 0.016 0.000 1.024 237 R CB 0.421 30.731 30.300 0.017 0.000 0.940 237 R HN 0.327 nan 8.270 nan 0.000 0.480 238 E N -0.569 119.637 120.200 0.011 0.000 2.496 238 E HA 0.083 4.432 4.350 -0.001 0.000 0.202 238 E C 0.770 177.379 176.600 0.016 0.000 1.021 238 E CA 0.187 56.594 56.400 0.012 0.000 1.015 238 E CB 0.582 30.278 29.700 -0.007 0.000 1.102 238 E HN 0.206 nan 8.360 nan 0.000 0.452 239 S N 0.042 115.746 115.700 0.007 0.000 2.374 239 S HA -0.179 4.291 4.470 -0.001 0.000 0.227 239 S C 2.030 176.624 174.600 -0.009 0.000 1.037 239 S CA 1.498 59.701 58.200 0.005 0.000 1.024 239 S CB -0.218 62.981 63.200 -0.001 0.000 0.861 239 S HN 0.108 nan 8.310 nan 0.000 0.456 240 S N 1.456 117.108 115.700 -0.079 0.000 2.406 240 S HA -0.039 4.431 4.470 -0.001 0.000 0.228 240 S C 2.026 176.640 174.600 0.022 0.000 1.020 240 S CA 1.131 59.207 58.200 -0.205 0.000 0.965 240 S CB -0.411 62.344 63.200 -0.740 0.000 0.798 240 S HN 0.646 nan 8.310 nan 0.000 0.488 241 Q N 2.112 121.980 119.800 0.113 0.000 2.083 241 Q HA 0.051 4.391 4.340 -0.001 0.000 0.198 241 Q C 2.056 178.176 176.000 0.201 0.000 0.969 241 Q CA 1.477 57.404 55.803 0.207 0.000 0.838 241 Q CB -0.301 28.518 28.738 0.135 0.000 0.900 241 Q HN 0.438 nan 8.270 nan 0.000 0.436 242 R N -0.143 120.433 120.500 0.128 0.000 2.081 242 R HA -0.168 4.172 4.340 -0.001 0.000 0.235 242 R C 1.762 178.171 176.300 0.183 0.000 1.131 242 R CA 1.896 58.080 56.100 0.139 0.000 0.960 242 R CB -0.418 29.931 30.300 0.081 0.000 0.856 242 R HN 0.491 nan 8.270 nan 0.000 0.436 243 D N -0.259 120.228 120.400 0.146 0.000 2.084 243 D HA -0.195 4.445 4.640 -0.001 0.000 0.194 243 D C 1.911 178.316 176.300 0.175 0.000 0.990 243 D CA 1.054 55.142 54.000 0.146 0.000 0.826 243 D CB -0.009 40.862 40.800 0.119 0.000 0.971 243 D HN 0.171 nan 8.370 nan 0.000 0.453 244 L N -0.567 120.788 121.223 0.220 0.000 2.027 244 L HA -0.005 4.335 4.340 -0.001 0.000 0.206 244 L C 2.012 179.039 176.870 0.262 0.000 1.074 244 L CA 1.533 56.528 54.840 0.259 0.000 0.745 244 L CB -0.885 41.394 42.059 0.367 0.000 0.898 244 L HN 0.178 nan 8.230 nan 0.000 0.433 245 F N 0.542 120.592 119.950 0.168 0.000 2.075 245 F HA -0.217 4.309 4.527 -0.001 0.000 0.297 245 F C 2.396 178.279 175.800 0.138 0.000 1.113 245 F CA 2.032 60.127 58.000 0.157 0.000 1.218 245 F CB -0.102 38.983 39.000 0.142 0.000 0.984 245 F HN 0.184 nan 8.300 nan 0.000 0.472 246 E N -0.138 120.239 120.200 0.295 0.000 2.204 246 E HA -0.147 4.202 4.350 -0.001 0.000 0.194 246 E C 2.241 178.895 176.600 0.091 0.000 0.989 246 E CA 0.695 57.205 56.400 0.184 0.000 0.824 246 E CB -0.279 29.540 29.700 0.197 0.000 0.756 246 E HN 0.507 nan 8.360 nan 0.000 0.477 247 A N 1.136 124.015 122.820 0.098 0.000 1.872 247 A HA -0.126 4.194 4.320 -0.001 0.000 0.214 247 A C 2.127 179.756 177.584 0.076 0.000 1.187 247 A CA 0.900 52.982 52.037 0.075 0.000 0.614 247 A CB -0.398 18.651 19.000 0.082 0.000 0.826 247 A HN 0.117 nan 8.150 nan 0.000 0.442 248 I N -0.697 119.932 120.570 0.099 0.000 2.439 248 I HA -0.194 3.976 4.170 -0.001 0.000 0.251 248 I C 2.478 178.658 176.117 0.107 0.000 1.139 248 I CA 1.445 62.859 61.300 0.190 0.000 1.438 248 I CB -0.238 37.832 38.000 0.117 0.000 1.085 248 I HN 0.502 nan 8.210 nan 0.000 0.427 249 E N 1.792 121.954 120.200 -0.063 0.000 2.110 249 E HA -0.248 4.101 4.350 -0.001 0.000 0.193 249 E C 2.181 178.777 176.600 -0.006 0.000 0.988 249 E CA 1.142 57.495 56.400 -0.079 0.000 0.804 249 E CB 0.080 29.708 29.700 -0.119 0.000 0.745 249 E HN 0.506 nan 8.360 nan 0.000 0.458 250 R N -1.193 119.302 120.500 -0.009 0.000 2.310 250 R HA 0.160 4.500 4.340 -0.001 0.000 0.202 250 R C 1.212 177.446 176.300 -0.109 0.000 0.933 250 R CA 0.763 56.845 56.100 -0.031 0.000 1.054 250 R CB 0.322 30.614 30.300 -0.013 0.000 0.985 250 R HN 0.168 nan 8.270 nan 0.000 0.489 251 G N 1.193 109.882 108.800 -0.185 0.000 2.141 251 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.231 251 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.231 251 G C -0.574 173.904 174.900 -0.703 0.000 0.984 251 G CA 0.162 44.912 45.100 -0.584 0.000 0.660 251 G HN 0.471 nan 8.290 nan 0.000 0.525 252 D N 0.861 121.079 120.400 -0.302 0.000 2.631 252 D HA 0.436 5.075 4.640 -0.001 0.000 0.227 252 D C 0.211 176.503 176.300 -0.013 0.000 1.146 252 D CA -0.460 53.445 54.000 -0.159 0.000 1.009 252 D CB -0.156 40.610 40.800 -0.057 0.000 1.057 252 D HN 0.280 nan 8.370 nan 0.000 0.509 253 Y N 2.498 122.798 120.300 0.001 0.000 2.650 253 Y HA 0.179 4.729 4.550 -0.001 0.000 0.342 253 Y C -1.652 174.232 175.900 -0.027 0.000 1.110 253 Y CA -3.344 54.768 58.100 0.020 0.000 1.438 253 Y CB -0.589 37.905 38.460 0.056 0.000 1.181 253 Y HN 0.277 nan 8.280 nan 0.000 0.526 254 P HA 0.199 nan 4.420 nan 0.000 0.271 254 P C -0.329 176.882 177.300 -0.148 0.000 1.216 254 P CA -0.320 62.699 63.100 -0.135 0.000 0.771 254 P CB 1.301 32.934 31.700 -0.112 0.000 0.864 255 R N 3.140 123.379 120.500 -0.435 0.000 2.750 255 R HA 0.548 4.887 4.340 -0.001 0.000 0.281 255 R C -1.314 174.665 176.300 -0.534 0.000 0.972 255 R CA -0.630 55.298 56.100 -0.286 0.000 0.912 255 R CB 1.556 31.767 30.300 -0.148 0.000 1.187 255 R HN 0.545 nan 8.270 nan 0.000 0.464 256 W N 2.871 124.001 121.300 -0.284 0.000 2.998 256 W HA 0.372 5.032 4.660 -0.001 0.000 0.335 256 W C -0.674 175.933 176.519 0.146 0.000 1.110 256 W CA -0.766 56.527 57.345 -0.087 0.000 1.230 256 W CB 2.259 31.657 29.460 -0.103 0.000 1.405 256 W HN 0.339 nan 8.180 nan 0.000 0.493 257 K N 2.651 123.291 120.400 0.401 0.000 2.240 257 K HA 0.317 4.636 4.320 -0.001 0.000 0.271 257 K C -0.446 176.350 176.600 0.327 0.000 1.018 257 K CA -0.939 55.565 56.287 0.361 0.000 0.874 257 K CB 1.729 34.349 32.500 0.200 0.000 1.098 257 K HN 0.177 nan 8.250 nan 0.000 0.458 258 L N 3.856 125.292 121.223 0.355 0.000 2.313 258 L HA 0.148 4.487 4.340 -0.001 0.000 0.282 258 L C -0.781 176.108 176.870 0.033 0.000 1.092 258 L CA 0.678 55.541 54.840 0.038 0.000 0.831 258 L CB 0.518 42.701 42.059 0.206 0.000 1.159 258 L HN 0.563 nan 8.230 nan 0.000 0.442 259 Q N 5.757 125.522 119.800 -0.058 0.000 2.394 259 Q HA 0.693 5.033 4.340 -0.001 0.000 0.273 259 Q C -1.058 174.944 176.000 0.003 0.000 1.089 259 Q CA -0.759 55.022 55.803 -0.037 0.000 0.812 259 Q CB 2.892 31.579 28.738 -0.086 0.000 1.353 259 Q HN 0.779 nan 8.270 nan 0.000 0.438 260 I N -2.081 118.478 120.570 -0.018 0.000 2.785 260 I HA 0.535 4.704 4.170 -0.001 0.000 0.302 260 I C -1.040 175.042 176.117 -0.057 0.000 1.069 260 I CA -1.081 60.212 61.300 -0.013 0.000 1.045 260 I CB 2.194 40.164 38.000 -0.050 0.000 1.236 260 I HN 0.441 nan 8.210 nan 0.000 0.429 261 Q N 3.380 123.163 119.800 -0.029 0.000 2.316 261 Q HA 0.623 4.962 4.340 -0.001 0.000 0.264 261 Q C -1.462 174.583 176.000 0.075 0.000 0.987 261 Q CA -0.760 55.090 55.803 0.078 0.000 0.852 261 Q CB 3.159 32.037 28.738 0.234 0.000 1.287 261 Q HN 0.610 nan 8.270 nan 0.000 0.448 262 I N 2.709 123.310 120.570 0.051 0.000 2.406 262 I HA 0.393 4.562 4.170 -0.001 0.000 0.290 262 I C -1.119 175.010 176.117 0.020 0.000 0.999 262 I CA -0.321 60.940 61.300 -0.066 0.000 1.124 262 I CB 1.551 39.208 38.000 -0.572 0.000 1.289 262 I HN 0.608 nan 8.210 nan 0.000 0.441 263 M N 9.654 129.254 119.600 -0.000 0.000 2.093 263 M HA 0.561 5.040 4.480 -0.001 0.000 0.297 263 M C -2.695 173.676 176.300 0.119 0.000 0.938 263 M CA -1.694 53.512 55.300 -0.157 0.000 0.920 263 M CB 1.780 33.896 32.600 -0.806 0.000 1.517 263 M HN 0.213 nan 8.290 nan 0.000 0.427 264 P HA -0.005 nan 4.420 nan 0.000 0.265 264 P C 0.223 177.484 177.300 -0.066 0.000 1.193 264 P CA 0.373 63.502 63.100 0.048 0.000 0.765 264 P CB 0.549 32.311 31.700 0.104 0.000 0.823 265 E N 4.154 124.173 120.200 -0.302 0.000 2.113 265 E HA -0.354 3.995 4.350 -0.001 0.000 0.210 265 E C 1.476 178.124 176.600 0.080 0.000 1.040 265 E CA 2.252 58.519 56.400 -0.222 0.000 0.847 265 E CB -0.050 29.430 29.700 -0.368 0.000 0.755 265 E HN 0.477 nan 8.360 nan 0.000 0.459 266 K N -0.006 120.392 120.400 -0.004 0.000 2.280 266 K HA -0.139 4.181 4.320 -0.001 0.000 0.202 266 K C 1.597 178.218 176.600 0.035 0.000 1.047 266 K CA 1.626 57.928 56.287 0.024 0.000 0.942 266 K CB -0.046 32.448 32.500 -0.010 0.000 0.739 266 K HN 0.180 nan 8.250 nan 0.000 0.457 267 E N 0.513 120.737 120.200 0.040 0.000 2.482 267 E HA -0.018 4.332 4.350 -0.001 0.000 0.196 267 E C 1.755 178.318 176.600 -0.062 0.000 1.047 267 E CA 0.428 56.832 56.400 0.006 0.000 0.869 267 E CB 0.101 29.828 29.700 0.046 0.000 0.836 267 E HN 0.531 nan 8.360 nan 0.000 0.520 268 A N 1.190 124.012 122.820 0.003 0.000 2.014 268 A HA -0.113 4.206 4.320 -0.001 0.000 0.218 268 A C 2.204 179.704 177.584 -0.139 0.000 1.163 268 A CA 1.387 53.352 52.037 -0.121 0.000 0.652 268 A CB -0.123 18.916 19.000 0.065 0.000 0.808 268 A HN 0.262 nan 8.150 nan 0.000 0.449 269 S N -1.258 114.413 115.700 -0.050 0.000 2.556 269 S HA -0.002 4.467 4.470 -0.001 0.000 0.216 269 S C 1.393 175.938 174.600 -0.091 0.000 0.970 269 S CA 0.922 59.087 58.200 -0.057 0.000 0.912 269 S CB -0.486 62.709 63.200 -0.008 0.000 0.790 269 S HN 0.677 nan 8.310 nan 0.000 0.504 270 T N -0.242 114.242 114.554 -0.115 0.000 3.014 270 T HA 0.269 4.618 4.350 -0.001 0.000 0.250 270 T C 0.578 175.169 174.700 -0.182 0.000 1.060 270 T CA 0.287 62.318 62.100 -0.115 0.000 1.040 270 T CB -0.595 68.228 68.868 -0.075 0.000 0.971 270 T HN 0.407 nan 8.240 nan 0.000 0.497 271 V N 1.048 120.776 119.914 -0.309 0.000 2.649 271 V HA 0.455 4.575 4.120 -0.001 0.000 0.292 271 V C -1.050 174.754 176.094 -0.483 0.000 1.055 271 V CA -1.828 60.154 62.300 -0.530 0.000 1.023 271 V CB 0.836 32.048 31.823 -1.019 0.000 0.992 271 V HN 0.055 nan 8.190 nan 0.000 0.480 272 P HA 0.044 nan 4.420 nan 0.000 0.239 272 P C -0.158 177.115 177.300 -0.044 0.000 1.184 272 P CA 0.870 63.894 63.100 -0.127 0.000 0.760 272 P CB -0.285 31.418 31.700 0.005 0.000 0.884 273 Y N -2.051 118.217 120.300 -0.053 0.000 2.621 273 Y HA 0.664 5.214 4.550 -0.001 0.000 0.334 273 Y C 0.172 176.021 175.900 -0.086 0.000 1.074 273 Y CA -2.109 55.962 58.100 -0.049 0.000 1.149 273 Y CB -0.153 38.297 38.460 -0.016 0.000 1.302 273 Y HN -0.366 nan 8.280 nan 0.000 0.501 274 N N 2.995 121.777 118.700 0.136 0.000 2.415 274 N HA 0.243 4.982 4.740 -0.001 0.000 0.246 274 N C -1.995 173.542 175.510 0.045 0.000 1.078 274 N CA -2.744 50.321 53.050 0.026 0.000 0.942 274 N CB 0.814 39.346 38.487 0.074 0.000 1.140 274 N HN 0.514 nan 8.380 nan 0.000 0.501 275 P HA 0.013 nan 4.420 nan 0.000 0.242 275 P C -0.255 176.854 177.300 -0.320 0.000 1.197 275 P CA 0.608 63.593 63.100 -0.192 0.000 0.765 275 P CB -0.098 31.175 31.700 -0.711 0.000 0.936 276 F N -0.587 119.393 119.950 0.050 0.000 2.708 276 F HA 0.305 4.831 4.527 -0.001 0.000 0.300 276 F C 0.628 176.431 175.800 0.005 0.000 1.118 276 F CA -1.248 56.725 58.000 -0.044 0.000 1.307 276 F CB -0.168 38.734 39.000 -0.163 0.000 0.986 276 F HN -0.180 nan 8.300 nan 0.000 0.522 277 D N 1.303 121.790 120.400 0.145 0.000 2.313 277 D HA 0.102 4.741 4.640 -0.001 0.000 0.239 277 D C 1.053 177.400 176.300 0.078 0.000 1.142 277 D CA -0.068 54.001 54.000 0.115 0.000 0.847 277 D CB 1.494 42.360 40.800 0.110 0.000 1.082 277 D HN 0.157 nan 8.370 nan 0.000 0.480 278 L N 4.027 125.295 121.223 0.075 0.000 2.362 278 L HA -0.055 4.284 4.340 -0.001 0.000 0.219 278 L C 2.008 178.891 176.870 0.021 0.000 1.134 278 L CA 1.583 56.438 54.840 0.025 0.000 0.807 278 L CB -0.458 41.635 42.059 0.057 0.000 0.927 278 L HN 0.566 nan 8.230 nan 0.000 0.447 279 T N -4.169 110.427 114.554 0.071 0.000 3.144 279 T HA 0.165 4.514 4.350 -0.001 0.000 0.249 279 T C 0.650 175.466 174.700 0.194 0.000 1.089 279 T CA -0.154 62.007 62.100 0.102 0.000 0.989 279 T CB -0.154 68.792 68.868 0.130 0.000 0.992 279 T HN 0.180 nan 8.240 nan 0.000 0.540 280 K N 0.824 121.295 120.400 0.118 0.000 2.444 280 K HA 0.695 5.015 4.320 -0.001 0.000 0.252 280 K C -0.961 175.669 176.600 0.049 0.000 0.993 280 K CA -1.095 55.273 56.287 0.134 0.000 0.847 280 K CB 2.925 35.478 32.500 0.089 0.000 1.340 280 K HN 0.113 nan 8.250 nan 0.000 0.446 281 V N -2.284 117.673 119.914 0.072 0.000 3.046 281 V HA 0.627 4.747 4.120 -0.001 0.000 0.316 281 V C -1.353 174.812 176.094 0.119 0.000 1.104 281 V CA -0.986 61.329 62.300 0.024 0.000 1.006 281 V CB 1.387 33.250 31.823 0.067 0.000 1.058 281 V HN 0.627 nan 8.190 nan 0.000 0.440 282 W N 1.001 122.295 121.300 -0.011 0.000 2.365 282 W HA 0.656 5.316 4.660 -0.001 0.000 0.316 282 W C -2.440 174.145 176.519 0.111 0.000 1.164 282 W CA -2.600 54.742 57.345 -0.005 0.000 1.204 282 W CB 0.048 29.586 29.460 0.130 0.000 1.213 282 W HN 0.420 nan 8.180 nan 0.000 0.539 283 P HA 0.012 nan 4.420 nan 0.000 0.271 283 P C 0.589 178.099 177.300 0.350 0.000 1.216 283 P CA 0.262 63.507 63.100 0.241 0.000 0.776 283 P CB 0.796 32.562 31.700 0.109 0.000 0.881 284 H N 1.768 120.904 119.070 0.110 0.000 2.457 284 H HA -0.032 4.524 4.556 -0.001 0.000 0.294 284 H C 1.892 177.242 175.328 0.037 0.000 1.064 284 H CA 1.650 57.746 56.048 0.081 0.000 1.330 284 H CB -0.682 29.107 29.762 0.044 0.000 1.395 284 H HN 0.438 nan 8.280 nan 0.000 0.541 285 A N 0.374 123.279 122.820 0.142 0.000 1.969 285 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 285 A C 1.580 179.139 177.584 -0.041 0.000 1.169 285 A CA 1.845 53.909 52.037 0.045 0.000 0.635 285 A CB 0.013 19.032 19.000 0.032 0.000 0.810 285 A HN 0.282 nan 8.150 nan 0.000 0.445 286 D N -2.259 118.086 120.400 -0.091 0.000 2.262 286 D HA 0.110 4.749 4.640 -0.001 0.000 0.212 286 D C -0.550 175.334 176.300 -0.694 0.000 0.964 286 D CA 0.934 54.705 54.000 -0.381 0.000 0.875 286 D CB 0.011 40.583 40.800 -0.380 0.000 0.996 286 D HN 0.459 nan 8.370 nan 0.000 0.497 287 Y N 0.263 120.615 120.300 0.087 0.000 2.526 287 Y HA 0.376 4.925 4.550 -0.001 0.000 0.328 287 Y C -2.381 173.526 175.900 0.012 0.000 0.995 287 Y CA -2.672 55.475 58.100 0.079 0.000 1.304 287 Y CB 1.657 40.230 38.460 0.188 0.000 1.096 287 Y HN -0.205 nan 8.280 nan 0.000 0.499 288 P HA 0.101 nan 4.420 nan 0.000 0.272 288 P C -0.750 176.490 177.300 -0.100 0.000 1.230 288 P CA -0.364 62.712 63.100 -0.042 0.000 0.788 288 P CB 0.900 32.592 31.700 -0.013 0.000 0.949 289 L N 2.685 123.780 121.223 -0.213 0.000 2.281 289 L HA 0.321 4.661 4.340 -0.001 0.000 0.285 289 L C 0.377 177.166 176.870 -0.135 0.000 1.074 289 L CA 0.721 55.418 54.840 -0.238 0.000 0.817 289 L CB -0.135 41.704 42.059 -0.367 0.000 1.168 289 L HN 0.304 nan 8.230 nan 0.000 0.434 290 M N 2.805 122.344 119.600 -0.102 0.000 2.268 290 M HA 0.326 4.805 4.480 -0.001 0.000 0.344 290 M C -0.485 175.750 176.300 -0.110 0.000 1.106 290 M CA -0.665 54.584 55.300 -0.086 0.000 1.010 290 M CB 1.398 33.986 32.600 -0.021 0.000 1.649 290 M HN 0.451 nan 8.290 nan 0.000 0.443 291 D N 1.752 122.025 120.400 -0.212 0.000 2.414 291 D HA 0.131 4.770 4.640 -0.001 0.000 0.242 291 D C 0.375 176.604 176.300 -0.118 0.000 1.129 291 D CA 0.156 54.016 54.000 -0.233 0.000 0.885 291 D CB 1.945 42.447 40.800 -0.498 0.000 1.198 291 D HN 0.311 nan 8.370 nan 0.000 0.437 292 V N 0.559 120.517 119.914 0.073 0.000 3.054 292 V HA 0.411 4.530 4.120 -0.001 0.000 0.227 292 V C 0.881 177.148 176.094 0.288 0.000 1.252 292 V CA 0.831 63.231 62.300 0.168 0.000 1.279 292 V CB 0.594 32.480 31.823 0.106 0.000 1.118 292 V HN 0.767 nan 8.190 nan 0.000 0.504 293 G N -0.632 108.350 108.800 0.304 0.000 2.428 293 G HA2 0.501 4.460 3.960 -0.001 0.000 0.305 293 G HA3 0.501 4.460 3.960 -0.001 0.000 0.305 293 G C -2.052 172.982 174.900 0.223 0.000 1.260 293 G CA 0.085 45.260 45.100 0.124 0.000 0.853 293 G HN 0.458 nan 8.290 nan 0.000 0.480 294 Y N -1.278 118.952 120.300 -0.118 0.000 2.625 294 Y HA 0.848 5.397 4.550 -0.001 0.000 0.338 294 Y C -1.184 174.875 175.900 0.265 0.000 1.123 294 Y CA -2.300 55.903 58.100 0.171 0.000 1.046 294 Y CB 1.641 40.168 38.460 0.111 0.000 1.299 294 Y HN 1.107 nan 8.280 nan 0.000 0.464 295 F N 0.194 120.538 119.950 0.657 0.000 2.565 295 F HA 0.843 5.369 4.527 -0.001 0.000 0.313 295 F C -1.309 174.845 175.800 0.590 0.000 1.091 295 F CA -1.110 57.249 58.000 0.598 0.000 0.915 295 F CB 2.238 41.684 39.000 0.743 0.000 1.208 295 F HN 0.723 nan 8.300 nan 0.000 0.453 296 E N 4.113 124.652 120.200 0.564 0.000 2.266 296 E HA 0.577 4.926 4.350 -0.001 0.000 0.268 296 E C -1.878 174.941 176.600 0.364 0.000 0.879 296 E CA -1.030 55.602 56.400 0.385 0.000 0.762 296 E CB 2.470 32.360 29.700 0.316 0.000 1.199 296 E HN 0.836 nan 8.360 nan 0.000 0.422 297 L N 3.785 125.204 121.223 0.326 0.000 2.268 297 L HA 0.272 4.611 4.340 -0.001 0.000 0.289 297 L C 0.082 176.923 176.870 -0.048 0.000 1.064 297 L CA -0.572 54.387 54.840 0.198 0.000 0.824 297 L CB 0.027 42.248 42.059 0.271 0.000 1.202 297 L HN 0.687 nan 8.230 nan 0.000 0.433 298 N N 2.057 120.606 118.700 -0.252 0.000 2.184 298 N HA 0.077 4.816 4.740 -0.001 0.000 0.206 298 N C 0.210 175.449 175.510 -0.451 0.000 1.151 298 N CA -0.352 52.187 53.050 -0.853 0.000 0.878 298 N CB 0.569 38.529 38.487 -0.879 0.000 1.014 298 N HN 0.442 nan 8.380 nan 0.000 0.512 299 R N 0.159 120.602 120.500 -0.095 0.000 2.533 299 R HA 0.332 4.672 4.340 -0.001 0.000 0.288 299 R C -1.537 174.857 176.300 0.156 0.000 1.039 299 R CA -0.523 55.599 56.100 0.037 0.000 0.909 299 R CB 0.987 31.325 30.300 0.063 0.000 1.195 299 R HN 0.112 nan 8.270 nan 0.000 0.438 300 N N 4.159 122.916 118.700 0.096 0.000 2.520 300 N HA 0.199 4.938 4.740 -0.001 0.000 0.273 300 N C -2.385 173.306 175.510 0.302 0.000 1.155 300 N CA -1.284 51.848 53.050 0.137 0.000 0.967 300 N CB 0.993 39.401 38.487 -0.131 0.000 1.092 300 N HN 0.296 nan 8.380 nan 0.000 0.457 301 P HA 0.016 nan 4.420 nan 0.000 0.269 301 P C -0.133 177.371 177.300 0.340 0.000 1.209 301 P CA -0.131 63.257 63.100 0.479 0.000 0.776 301 P CB 0.691 32.645 31.700 0.423 0.000 0.876 302 D N 0.227 120.773 120.400 0.243 0.000 2.117 302 D HA -0.090 4.550 4.640 -0.001 0.000 0.198 302 D C 0.484 176.903 176.300 0.199 0.000 0.982 302 D CA 1.665 55.772 54.000 0.178 0.000 0.828 302 D CB -0.001 40.854 40.800 0.091 0.000 0.967 302 D HN 0.360 nan 8.370 nan 0.000 0.464 303 N N -0.900 117.919 118.700 0.198 0.000 2.352 303 N HA -0.028 4.712 4.740 -0.001 0.000 0.291 303 N C -0.064 175.585 175.510 0.232 0.000 1.040 303 N CA -0.356 52.819 53.050 0.208 0.000 0.864 303 N CB 1.512 40.099 38.487 0.167 0.000 1.440 303 N HN -0.137 nan 8.380 nan 0.000 0.483 304 Y N 4.271 124.672 120.300 0.168 0.000 2.145 304 Y HA -0.188 4.361 4.550 -0.001 0.000 0.286 304 Y C 1.810 177.797 175.900 0.146 0.000 1.145 304 Y CA 1.736 59.931 58.100 0.158 0.000 1.148 304 Y CB -0.171 38.374 38.460 0.143 0.000 0.981 304 Y HN 0.673 nan 8.280 nan 0.000 0.507 305 F N 0.236 120.298 119.950 0.187 0.000 2.069 305 F HA -0.234 4.292 4.527 -0.001 0.000 0.298 305 F C 2.506 178.283 175.800 -0.039 0.000 1.113 305 F CA 2.214 60.261 58.000 0.079 0.000 1.214 305 F CB -0.856 38.206 39.000 0.103 0.000 0.978 305 F HN -0.031 nan 8.300 nan 0.000 0.474 306 S N 0.007 115.732 115.700 0.041 0.000 2.368 306 S HA -0.186 4.283 4.470 -0.001 0.000 0.225 306 S C 1.550 176.018 174.600 -0.221 0.000 1.030 306 S CA 1.590 59.735 58.200 -0.091 0.000 0.999 306 S CB -0.363 62.868 63.200 0.052 0.000 0.844 306 S HN 0.503 nan 8.310 nan 0.000 0.459 307 D N 0.018 120.306 120.400 -0.187 0.000 2.323 307 D HA 0.110 4.749 4.640 -0.001 0.000 0.218 307 D C 1.885 177.902 176.300 -0.472 0.000 0.973 307 D CA 0.658 54.480 54.000 -0.297 0.000 0.890 307 D CB 0.062 40.823 40.800 -0.065 0.000 1.011 307 D HN 0.282 nan 8.370 nan 0.000 0.499 308 V N 0.676 120.342 119.914 -0.413 0.000 2.627 308 V HA -0.036 4.083 4.120 -0.001 0.000 0.239 308 V C 2.291 178.120 176.094 -0.441 0.000 1.077 308 V CA 0.703 62.758 62.300 -0.409 0.000 1.103 308 V CB -0.173 31.204 31.823 -0.742 0.000 0.802 308 V HN -0.050 nan 8.190 nan 0.000 0.482 309 E N 0.907 120.766 120.200 -0.568 0.000 2.110 309 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 309 E C 2.132 178.495 176.600 -0.395 0.000 0.988 309 E CA 1.536 57.728 56.400 -0.347 0.000 0.804 309 E CB -0.194 29.394 29.700 -0.187 0.000 0.745 309 E HN 0.615 nan 8.360 nan 0.000 0.458 310 Q N -0.383 119.081 119.800 -0.560 0.000 2.403 310 Q HA 0.240 4.580 4.340 -0.001 0.000 0.203 310 Q C -0.186 175.575 176.000 -0.397 0.000 0.932 310 Q CA 0.176 55.679 55.803 -0.500 0.000 0.945 310 Q CB 0.466 28.858 28.738 -0.577 0.000 1.045 310 Q HN 0.203 nan 8.270 nan 0.000 0.511 311 A N 1.047 123.640 122.820 -0.379 0.000 2.488 311 A HA 0.463 4.783 4.320 -0.001 0.000 0.249 311 A C -0.168 177.171 177.584 -0.408 0.000 1.083 311 A CA 0.109 51.880 52.037 -0.443 0.000 0.768 311 A CB 0.262 19.060 19.000 -0.338 0.000 1.017 311 A HN 0.264 nan 8.150 nan 0.000 0.496 312 A N 2.744 125.187 122.820 -0.629 0.000 2.310 312 A HA 0.706 5.026 4.320 -0.001 0.000 0.304 312 A C -0.842 176.348 177.584 -0.657 0.000 1.231 312 A CA -0.385 51.198 52.037 -0.757 0.000 0.799 312 A CB 0.195 18.507 19.000 -1.147 0.000 1.162 312 A HN 0.634 nan 8.150 nan 0.000 0.486 313 F N 1.321 121.179 119.950 -0.154 0.000 2.480 313 F HA 0.746 5.273 4.527 -0.001 0.000 0.329 313 F C 0.788 176.641 175.800 0.089 0.000 1.091 313 F CA -0.273 57.676 58.000 -0.084 0.000 0.972 313 F CB 2.480 41.386 39.000 -0.158 0.000 1.150 313 F HN 0.471 nan 8.300 nan 0.000 0.467 314 S N 2.629 118.388 115.700 0.098 0.000 2.566 314 S HA 0.411 4.880 4.470 -0.001 0.000 0.273 314 S C -2.444 172.052 174.600 -0.175 0.000 1.157 314 S CA -1.245 56.880 58.200 -0.126 0.000 0.938 314 S CB 1.819 65.088 63.200 0.114 0.000 1.087 314 S HN 0.244 nan 8.310 nan 0.000 0.474 315 P HA 0.082 nan 4.420 nan 0.000 0.225 315 P C 1.098 178.521 177.300 0.205 0.000 1.148 315 P CA 0.911 63.995 63.100 -0.026 0.000 0.779 315 P CB 0.130 31.755 31.700 -0.126 0.000 0.780 316 A N -0.614 122.253 122.820 0.078 0.000 2.066 316 A HA -0.111 4.209 4.320 -0.001 0.000 0.218 316 A C 1.083 178.840 177.584 0.288 0.000 1.157 316 A CA 0.798 52.956 52.037 0.203 0.000 0.670 316 A CB -1.320 17.726 19.000 0.075 0.000 0.804 316 A HN 0.255 nan 8.150 nan 0.000 0.453 317 N N 0.803 119.620 118.700 0.196 0.000 2.739 317 N HA 0.404 5.143 4.740 -0.001 0.000 0.266 317 N C -0.432 175.230 175.510 0.254 0.000 1.168 317 N CA -0.220 52.931 53.050 0.168 0.000 1.055 317 N CB 0.026 38.559 38.487 0.076 0.000 1.393 317 N HN 0.627 nan 8.380 nan 0.000 0.514 318 I N -1.711 119.009 120.570 0.249 0.000 2.982 318 I HA 0.704 4.874 4.170 -0.001 0.000 0.312 318 I C 0.055 176.205 176.117 0.055 0.000 1.041 318 I CA -1.328 60.098 61.300 0.210 0.000 1.053 318 I CB 1.313 39.357 38.000 0.074 0.000 1.248 318 I HN -0.097 nan 8.210 nan 0.000 0.471 319 V N -1.098 118.774 119.914 -0.070 0.000 3.046 319 V HA 0.699 4.819 4.120 -0.001 0.000 0.316 319 V C -2.777 173.222 176.094 -0.158 0.000 1.104 319 V CA -2.644 59.579 62.300 -0.128 0.000 1.006 319 V CB 1.054 32.782 31.823 -0.158 0.000 1.058 319 V HN 0.611 nan 8.190 nan 0.000 0.440 320 P HA 0.376 nan 4.420 nan 0.000 0.264 320 P C 0.902 178.167 177.300 -0.058 0.000 1.193 320 P CA 1.934 65.003 63.100 -0.051 0.000 0.763 320 P CB 0.783 32.510 31.700 0.045 0.000 0.810 321 G N 2.463 111.245 108.800 -0.030 0.000 2.238 321 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.217 321 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.217 321 G C -0.018 174.880 174.900 -0.004 0.000 0.996 321 G CA -0.374 44.698 45.100 -0.047 0.000 0.632 321 G HN 0.477 nan 8.290 nan 0.000 0.503 322 I N 0.998 121.552 120.570 -0.028 0.000 2.498 322 I HA 0.720 4.889 4.170 -0.001 0.000 0.290 322 I C 0.079 176.179 176.117 -0.028 0.000 1.032 322 I CA -0.700 60.646 61.300 0.077 0.000 1.073 322 I CB 2.081 39.969 38.000 -0.186 0.000 1.251 322 I HN 0.147 nan 8.210 nan 0.000 0.426 323 S N 3.847 119.565 115.700 0.029 0.000 2.880 323 S HA 0.720 5.190 4.470 -0.001 0.000 0.308 323 S C -0.809 173.768 174.600 -0.039 0.000 1.195 323 S CA -0.448 57.589 58.200 -0.273 0.000 0.866 323 S CB 0.993 64.050 63.200 -0.238 0.000 1.254 323 S HN 0.305 nan 8.310 nan 0.000 0.571 324 F N 1.792 121.906 119.950 0.272 0.000 2.266 324 F HA 0.770 5.297 4.527 -0.001 0.000 0.306 324 F C 1.013 176.942 175.800 0.216 0.000 1.016 324 F CA -0.355 57.761 58.000 0.192 0.000 1.127 324 F CB 0.064 39.104 39.000 0.068 0.000 1.735 324 F HN 0.616 nan 8.300 nan 0.000 0.540 325 S N -0.946 114.909 115.700 0.258 0.000 2.607 325 S HA 0.463 4.932 4.470 -0.001 0.000 0.273 325 S C -2.706 171.752 174.600 -0.236 0.000 1.148 325 S CA -1.190 57.027 58.200 0.029 0.000 0.833 325 S CB 1.899 65.067 63.200 -0.053 0.000 1.130 325 S HN 0.332 nan 8.310 nan 0.000 0.470 326 P HA 0.085 nan 4.420 nan 0.000 0.258 326 P C -0.307 176.769 177.300 -0.373 0.000 1.319 326 P CA 0.141 62.945 63.100 -0.494 0.000 0.785 326 P CB -0.562 30.747 31.700 -0.651 0.000 1.252 327 D N 1.474 121.706 120.400 -0.280 0.000 2.389 327 D HA -0.043 4.596 4.640 -0.001 0.000 0.263 327 D C 1.153 177.401 176.300 -0.087 0.000 1.255 327 D CA 0.264 54.223 54.000 -0.068 0.000 0.914 327 D CB 0.784 41.587 40.800 0.006 0.000 1.116 327 D HN 0.013 nan 8.370 nan 0.000 0.502 328 K N 3.470 123.852 120.400 -0.030 0.000 2.127 328 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 328 K C 1.898 178.489 176.600 -0.015 0.000 1.047 328 K CA 1.086 57.364 56.287 -0.015 0.000 0.927 328 K CB -0.027 32.492 32.500 0.032 0.000 0.716 328 K HN 0.541 nan 8.250 nan 0.000 0.450 329 M N 0.284 119.899 119.600 0.025 0.000 2.132 329 M HA -0.097 4.382 4.480 -0.001 0.000 0.263 329 M C 2.313 178.552 176.300 -0.102 0.000 1.065 329 M CA 1.025 56.360 55.300 0.058 0.000 1.122 329 M CB -0.754 31.977 32.600 0.218 0.000 1.365 329 M HN 0.149 nan 8.290 nan 0.000 0.411 330 L N 0.972 121.983 121.223 -0.353 0.000 2.056 330 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 330 L C 2.411 179.048 176.870 -0.388 0.000 1.078 330 L CA 1.816 56.237 54.840 -0.697 0.000 0.749 330 L CB -0.849 40.681 42.059 -0.881 0.000 0.901 330 L HN 0.263 nan 8.230 nan 0.000 0.433 331 Q N -0.159 119.480 119.800 -0.269 0.000 2.135 331 Q HA -0.138 4.201 4.340 -0.001 0.000 0.204 331 Q C 2.098 178.011 176.000 -0.144 0.000 0.981 331 Q CA 1.620 57.297 55.803 -0.211 0.000 0.856 331 Q CB -0.795 27.860 28.738 -0.139 0.000 0.902 331 Q HN 0.681 nan 8.270 nan 0.000 0.425 332 G N 0.602 109.345 108.800 -0.094 0.000 2.421 332 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 332 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 332 G C 1.487 176.386 174.900 -0.002 0.000 1.143 332 G CA 0.142 45.229 45.100 -0.021 0.000 0.784 332 G HN 0.273 nan 8.290 nan 0.000 0.541 333 R N -0.156 120.305 120.500 -0.066 0.000 2.235 333 R HA 0.178 4.517 4.340 -0.001 0.000 0.213 333 R C 2.137 178.432 176.300 -0.008 0.000 1.059 333 R CA 0.195 56.307 56.100 0.020 0.000 0.997 333 R CB -0.248 30.022 30.300 -0.050 0.000 0.884 333 R HN 0.339 nan 8.270 nan 0.000 0.462 334 L N -0.280 120.869 121.223 -0.123 0.000 2.465 334 L HA -0.074 4.266 4.340 -0.001 0.000 0.224 334 L C 1.747 178.622 176.870 0.009 0.000 1.145 334 L CA 0.666 55.406 54.840 -0.166 0.000 0.834 334 L CB -0.214 41.626 42.059 -0.365 0.000 0.944 334 L HN 0.163 nan 8.230 nan 0.000 0.451 335 F N -0.600 119.306 119.950 -0.073 0.000 2.479 335 F HA 0.033 4.559 4.527 -0.001 0.000 0.280 335 F C 2.617 178.400 175.800 -0.028 0.000 0.982 335 F CA 0.976 58.949 58.000 -0.046 0.000 1.276 335 F CB -0.425 38.546 39.000 -0.049 0.000 1.137 335 F HN -0.148 nan 8.300 nan 0.000 0.660 336 S N -0.218 115.307 115.700 -0.292 0.000 2.389 336 S HA -0.291 4.179 4.470 -0.001 0.000 0.231 336 S C 2.062 176.396 174.600 -0.443 0.000 1.052 336 S CA 2.283 60.227 58.200 -0.426 0.000 1.053 336 S CB -0.753 62.310 63.200 -0.229 0.000 0.886 336 S HN 0.524 nan 8.310 nan 0.000 0.456 337 Y N 1.171 121.221 120.300 -0.417 0.000 2.133 337 Y HA 0.092 4.641 4.550 -0.001 0.000 0.287 337 Y C 2.878 178.263 175.900 -0.860 0.000 1.134 337 Y CA 0.992 58.751 58.100 -0.568 0.000 1.133 337 Y CB -1.240 36.992 38.460 -0.380 0.000 0.987 337 Y HN 0.371 nan 8.280 nan 0.000 0.502 338 G N -0.600 108.016 108.800 -0.308 0.000 2.440 338 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.218 338 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.218 338 G C 1.277 176.043 174.900 -0.223 0.000 1.154 338 G CA 1.391 46.392 45.100 -0.165 0.000 0.767 338 G HN 0.409 nan 8.290 nan 0.000 0.552 339 D N 0.652 120.823 120.400 -0.382 0.000 2.117 339 D HA 0.021 4.660 4.640 -0.001 0.000 0.197 339 D C 2.695 178.847 176.300 -0.247 0.000 0.987 339 D CA 1.468 55.234 54.000 -0.389 0.000 0.829 339 D CB -0.328 39.974 40.800 -0.831 0.000 0.961 339 D HN 0.238 nan 8.370 nan 0.000 0.460 340 A N -0.759 121.867 122.820 -0.323 0.000 1.930 340 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 340 A C 1.963 179.508 177.584 -0.066 0.000 1.175 340 A CA 1.644 53.567 52.037 -0.190 0.000 0.627 340 A CB -0.996 17.833 19.000 -0.285 0.000 0.815 340 A HN 0.481 nan 8.150 nan 0.000 0.443 341 H N -0.835 118.159 119.070 -0.126 0.000 2.353 341 H HA -0.044 4.512 4.556 -0.001 0.000 0.300 341 H C 2.360 177.582 175.328 -0.177 0.000 1.090 341 H CA 1.234 57.132 56.048 -0.250 0.000 1.327 341 H CB -0.020 29.420 29.762 -0.537 0.000 1.383 341 H HN 0.380 nan 8.280 nan 0.000 0.508 342 R N -0.136 120.404 120.500 0.067 0.000 2.152 342 R HA -0.168 4.172 4.340 -0.001 0.000 0.232 342 R C 1.847 178.211 176.300 0.107 0.000 1.117 342 R CA 1.351 57.522 56.100 0.118 0.000 0.981 342 R CB -0.173 30.193 30.300 0.109 0.000 0.870 342 R HN 0.411 nan 8.270 nan 0.000 0.451 343 Y N 1.018 121.309 120.300 -0.016 0.000 2.177 343 Y HA -0.053 4.497 4.550 -0.001 0.000 0.291 343 Y C 2.470 178.367 175.900 -0.004 0.000 1.117 343 Y CA 1.126 59.219 58.100 -0.012 0.000 1.114 343 Y CB -0.176 38.267 38.460 -0.029 0.000 1.017 343 Y HN -0.230 nan 8.280 nan 0.000 0.505 344 R N -0.116 120.319 120.500 -0.108 0.000 2.081 344 R HA -0.110 4.230 4.340 -0.001 0.000 0.235 344 R C 1.691 177.898 176.300 -0.155 0.000 1.131 344 R CA 2.171 58.168 56.100 -0.171 0.000 0.960 344 R CB -0.236 30.064 30.300 0.000 0.000 0.856 344 R HN 0.491 nan 8.270 nan 0.000 0.436 345 L N -1.772 119.390 121.223 -0.101 0.000 2.500 345 L HA 0.380 4.719 4.340 -0.001 0.000 0.219 345 L C 0.735 177.590 176.870 -0.026 0.000 1.057 345 L CA 0.192 54.986 54.840 -0.078 0.000 0.854 345 L CB 0.812 42.809 42.059 -0.104 0.000 1.078 345 L HN 0.441 nan 8.230 nan 0.000 0.480 346 G N -0.526 108.281 108.800 0.012 0.000 2.459 346 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.685 346 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.685 346 G C -0.078 174.906 174.900 0.141 0.000 1.303 346 G CA -0.351 44.774 45.100 0.042 0.000 0.907 346 G HN -0.293 nan 8.290 nan 0.000 0.632 347 V N 0.269 120.246 119.914 0.105 0.000 2.490 347 V HA -0.033 4.086 4.120 -0.001 0.000 0.250 347 V C 1.655 177.781 176.094 0.052 0.000 1.061 347 V CA 2.257 64.623 62.300 0.110 0.000 1.064 347 V CB -0.333 31.521 31.823 0.052 0.000 0.670 347 V HN 0.612 nan 8.190 nan 0.000 0.461 348 N N 0.349 119.062 118.700 0.023 0.000 2.466 348 N HA 0.049 4.788 4.740 -0.001 0.000 0.251 348 N C 1.048 176.412 175.510 -0.243 0.000 1.164 348 N CA 0.531 53.542 53.050 -0.064 0.000 0.888 348 N CB -0.224 38.230 38.487 -0.056 0.000 1.177 348 N HN 0.876 nan 8.380 nan 0.000 0.498 349 H N -0.991 118.036 119.070 -0.072 0.000 2.545 349 H HA -0.060 4.495 4.556 -0.001 0.000 0.282 349 H C 1.808 177.036 175.328 -0.167 0.000 1.020 349 H CA 1.091 57.056 56.048 -0.138 0.000 1.243 349 H CB -0.404 29.284 29.762 -0.124 0.000 1.377 349 H HN 0.396 nan 8.280 nan 0.000 0.581 350 H N 0.615 119.495 119.070 -0.318 0.000 2.491 350 H HA -0.067 4.489 4.556 -0.001 0.000 0.290 350 H C 1.125 176.382 175.328 -0.118 0.000 1.050 350 H CA 1.167 57.092 56.048 -0.204 0.000 1.309 350 H CB -0.133 29.520 29.762 -0.182 0.000 1.392 350 H HN 0.558 nan 8.280 nan 0.000 0.554 351 Q N 0.899 120.353 119.800 -0.577 0.000 2.297 351 Q HA 0.148 4.488 4.340 -0.001 0.000 0.204 351 Q C 0.669 176.558 176.000 -0.184 0.000 0.962 351 Q CA 0.169 55.765 55.803 -0.345 0.000 0.879 351 Q CB 0.321 28.841 28.738 -0.363 0.000 0.947 351 Q HN 0.465 nan 8.270 nan 0.000 0.462 352 I N 2.636 123.100 120.570 -0.177 0.000 2.587 352 I HA -0.047 4.123 4.170 -0.001 0.000 0.284 352 I C -1.625 174.399 176.117 -0.154 0.000 1.134 352 I CA -1.426 59.783 61.300 -0.152 0.000 1.410 352 I CB 0.602 38.497 38.000 -0.174 0.000 1.392 352 I HN -0.087 nan 8.210 nan 0.000 0.545 353 P HA -0.260 nan 4.420 nan 0.000 0.220 353 P C 1.727 178.929 177.300 -0.163 0.000 1.155 353 P CA 1.126 64.138 63.100 -0.146 0.000 0.880 353 P CB 0.205 31.825 31.700 -0.133 0.000 0.790 354 V N -0.574 119.232 119.914 -0.180 0.000 2.515 354 V HA -0.166 3.953 4.120 -0.001 0.000 0.250 354 V C 1.587 177.576 176.094 -0.176 0.000 1.058 354 V CA 1.976 64.151 62.300 -0.209 0.000 1.064 354 V CB -0.895 30.610 31.823 -0.529 0.000 0.675 354 V HN 0.111 nan 8.190 nan 0.000 0.461 355 N N 0.555 119.129 118.700 -0.210 0.000 2.424 355 N HA 0.183 4.923 4.740 -0.001 0.000 0.178 355 N C 0.688 176.138 175.510 -0.099 0.000 1.060 355 N CA 0.775 53.712 53.050 -0.189 0.000 0.901 355 N CB -0.100 38.277 38.487 -0.184 0.000 0.979 355 N HN 0.522 nan 8.380 nan 0.000 0.451 356 A N 2.725 125.483 122.820 -0.104 0.000 2.407 356 A HA 0.324 4.644 4.320 -0.001 0.000 0.248 356 A C -2.086 175.407 177.584 -0.152 0.000 1.082 356 A CA -0.846 51.095 52.037 -0.161 0.000 0.785 356 A CB -0.065 18.835 19.000 -0.166 0.000 1.020 356 A HN 0.002 nan 8.150 nan 0.000 0.489 357 P HA 0.263 nan 4.420 nan 0.000 0.277 357 P C -0.815 176.384 177.300 -0.169 0.000 1.240 357 P CA -0.270 62.707 63.100 -0.204 0.000 0.798 357 P CB 0.845 32.321 31.700 -0.373 0.000 0.979 358 K N 0.788 121.161 120.400 -0.046 0.000 3.109 358 K HA 0.328 4.648 4.320 -0.001 0.000 0.214 358 K C -0.202 176.409 176.600 0.019 0.000 1.196 358 K CA -0.301 55.949 56.287 -0.062 0.000 1.115 358 K CB -0.351 32.066 32.500 -0.139 0.000 1.103 358 K HN 0.585 nan 8.250 nan 0.000 0.467 359 C N -2.667 116.664 119.300 0.051 0.000 3.288 359 C HA 0.567 5.026 4.460 -0.001 0.000 0.318 359 C C -3.012 172.097 174.990 0.199 0.000 1.356 359 C CA -2.414 56.659 59.018 0.092 0.000 1.359 359 C CB 1.014 28.793 27.740 0.065 0.000 1.688 359 C HN 0.136 nan 8.230 nan 0.000 0.467 360 P HA 0.417 nan 4.420 nan 0.000 0.267 360 P C -0.847 176.620 177.300 0.277 0.000 1.209 360 P CA 0.514 63.724 63.100 0.182 0.000 0.763 360 P CB -0.105 31.637 31.700 0.071 0.000 0.816 361 F N -0.330 119.636 119.950 0.027 0.000 2.588 361 F HA 0.529 5.055 4.527 -0.001 0.000 0.310 361 F C -0.905 174.972 175.800 0.129 0.000 1.082 361 F CA -0.959 57.076 58.000 0.059 0.000 0.929 361 F CB 1.867 40.894 39.000 0.046 0.000 1.254 361 F HN 0.265 nan 8.300 nan 0.000 0.455 362 H N 2.546 121.628 119.070 0.020 0.000 2.791 362 H HA 0.281 4.837 4.556 -0.001 0.000 0.272 362 H C -1.114 174.301 175.328 0.146 0.000 1.188 362 H CA -0.806 55.230 56.048 -0.020 0.000 1.436 362 H CB 0.543 30.315 29.762 0.016 0.000 1.467 362 H HN 0.728 nan 8.280 nan 0.000 0.500 363 N N 3.131 121.895 118.700 0.105 0.000 2.442 363 N HA -0.075 4.664 4.740 -0.001 0.000 0.265 363 N C 0.431 175.870 175.510 -0.118 0.000 1.138 363 N CA 0.179 53.237 53.050 0.013 0.000 0.956 363 N CB 0.450 38.966 38.487 0.047 0.000 1.067 363 N HN 0.577 nan 8.380 nan 0.000 0.474 364 Y N 4.171 124.150 120.300 -0.535 0.000 2.314 364 Y HA 0.076 4.625 4.550 -0.001 0.000 0.294 364 Y C 0.343 175.903 175.900 -0.566 0.000 1.119 364 Y CA 0.700 58.282 58.100 -0.863 0.000 1.179 364 Y CB -0.173 37.677 38.460 -1.016 0.000 1.025 364 Y HN 0.566 nan 8.280 nan 0.000 0.541 365 H N 2.766 121.673 119.070 -0.271 0.000 3.237 365 H HA -0.027 4.529 4.556 -0.001 0.000 0.270 365 H C 0.230 175.402 175.328 -0.261 0.000 0.900 365 H CA 0.478 56.379 56.048 -0.245 0.000 1.415 365 H CB -0.208 29.477 29.762 -0.129 0.000 1.484 365 H HN 0.319 nan 8.280 nan 0.000 0.540 366 R N 3.002 123.376 120.500 -0.208 0.000 2.349 366 R HA 0.059 4.398 4.340 -0.001 0.000 0.299 366 R C -0.034 176.238 176.300 -0.047 0.000 1.027 366 R CA -0.342 55.665 56.100 -0.156 0.000 0.958 366 R CB 0.608 30.771 30.300 -0.228 0.000 1.047 366 R HN 0.688 nan 8.270 nan 0.000 0.468 367 D N 1.337 121.727 120.400 -0.018 0.000 3.528 367 D HA -0.260 4.380 4.640 -0.001 0.000 0.163 367 D C 0.233 176.549 176.300 0.026 0.000 1.069 367 D CA 2.031 56.035 54.000 0.006 0.000 1.082 367 D CB -1.302 39.497 40.800 -0.002 0.000 0.538 367 D HN 1.006 nan 8.370 nan 0.000 0.579 368 G N -0.741 108.071 108.800 0.021 0.000 2.730 368 G HA2 0.404 4.364 3.960 -0.001 0.000 0.686 368 G HA3 0.404 4.364 3.960 -0.001 0.000 0.686 368 G C -0.025 174.888 174.900 0.021 0.000 1.343 368 G CA 0.494 45.609 45.100 0.026 0.000 0.826 368 G HN 1.440 nan 8.290 nan 0.000 0.582 369 A N 0.578 123.409 122.820 0.018 0.000 2.498 369 A HA 0.643 4.963 4.320 -0.001 0.000 0.239 369 A C 1.372 178.959 177.584 0.004 0.000 1.068 369 A CA 1.557 53.599 52.037 0.009 0.000 0.766 369 A CB 0.131 19.134 19.000 0.006 0.000 1.003 369 A HN 2.573 nan 8.150 nan 0.000 0.497 370 M N 0.647 120.247 119.600 0.000 0.000 2.253 370 M HA -0.145 4.334 4.480 -0.001 0.000 0.195 370 M C 0.023 176.317 176.300 -0.009 0.000 0.512 370 M CA 0.580 55.877 55.300 -0.005 0.000 0.442 370 M CB -1.254 31.339 32.600 -0.011 0.000 1.189 370 M HN 0.783 nan 8.290 nan 0.000 0.923 371 R N 0.563 121.066 120.500 0.005 0.000 2.248 371 R HA 0.502 4.842 4.340 -0.001 0.000 0.337 371 R C 0.954 177.261 176.300 0.012 0.000 1.106 371 R CA 0.415 56.523 56.100 0.015 0.000 0.959 371 R CB 0.227 30.547 30.300 0.033 0.000 1.075 371 R HN 0.503 nan 8.270 nan 0.000 0.480 372 V N 0.128 120.043 119.914 0.002 0.000 3.645 372 V HA 0.198 4.317 4.120 -0.001 0.000 0.275 372 V C 0.720 176.823 176.094 0.016 0.000 1.356 372 V CA 0.650 62.953 62.300 0.005 0.000 1.051 372 V CB 0.470 32.290 31.823 -0.005 0.000 0.828 372 V HN 0.638 nan 8.190 nan 0.000 0.441 373 D N 0.997 121.417 120.400 0.033 0.000 2.328 373 D HA 0.277 4.917 4.640 -0.001 0.000 0.226 373 D C 1.608 177.940 176.300 0.054 0.000 1.066 373 D CA 0.710 54.745 54.000 0.057 0.000 0.861 373 D CB 0.169 41.035 40.800 0.110 0.000 0.912 373 D HN 0.895 nan 8.370 nan 0.000 0.521 374 G N -0.164 108.661 108.800 0.041 0.000 2.176 374 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.232 374 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.232 374 G C 0.387 175.307 174.900 0.033 0.000 0.986 374 G CA -0.052 45.066 45.100 0.030 0.000 0.643 374 G HN 0.576 nan 8.290 nan 0.000 0.522 375 N N -1.340 117.389 118.700 0.049 0.000 6.891 375 N HA -0.197 4.543 4.740 -0.001 0.000 0.420 375 N C 1.375 176.907 175.510 0.037 0.000 0.939 375 N CA 2.054 55.130 53.050 0.043 0.000 1.300 375 N CB -1.247 37.253 38.487 0.023 0.000 0.824 375 N HN 1.224 nan 8.380 nan 0.000 0.284 376 S N -0.629 115.076 115.700 0.009 0.000 2.558 376 S HA 0.452 4.921 4.470 -0.001 0.000 0.217 376 S C 0.787 175.448 174.600 0.101 0.000 0.975 376 S CA 1.186 59.393 58.200 0.013 0.000 0.912 376 S CB 0.091 63.210 63.200 -0.135 0.000 0.776 376 S HN 1.405 nan 8.310 nan 0.000 0.526 377 G N 0.559 109.398 108.800 0.065 0.000 2.322 377 G HA2 0.219 4.179 3.960 -0.001 0.000 0.289 377 G HA3 0.219 4.179 3.960 -0.001 0.000 0.289 377 G C -0.735 174.196 174.900 0.051 0.000 1.687 377 G CA -0.843 44.301 45.100 0.074 0.000 0.944 377 G HN 0.029 nan 8.290 nan 0.000 0.718 378 N N -0.043 118.679 118.700 0.037 0.000 2.236 378 N HA 0.212 4.951 4.740 -0.001 0.000 0.196 378 N C 1.346 176.881 175.510 0.042 0.000 1.114 378 N CA 0.984 54.053 53.050 0.032 0.000 0.859 378 N CB 1.443 39.941 38.487 0.019 0.000 0.982 378 N HN 0.805 nan 8.380 nan 0.000 0.493 379 G N 0.138 108.971 108.800 0.054 0.000 2.710 379 G HA2 0.352 4.311 3.960 -0.001 0.000 0.198 379 G HA3 0.352 4.311 3.960 -0.001 0.000 0.198 379 G C -0.216 174.760 174.900 0.127 0.000 1.797 379 G CA -0.348 44.795 45.100 0.072 0.000 0.759 379 G HN 0.071 nan 8.290 nan 0.000 0.808 380 I N 2.530 123.161 120.570 0.102 0.000 2.517 380 I HA 0.212 4.382 4.170 -0.001 0.000 0.285 380 I C 0.921 177.158 176.117 0.201 0.000 1.106 380 I CA 0.475 61.836 61.300 0.102 0.000 1.402 380 I CB 1.507 39.413 38.000 -0.157 0.000 1.399 380 I HN 0.457 nan 8.210 nan 0.000 0.535 381 T N 2.191 116.942 114.554 0.328 0.000 3.288 381 T HA 0.245 4.595 4.350 -0.001 0.000 0.293 381 T C -0.337 174.559 174.700 0.327 0.000 1.008 381 T CA -0.424 61.843 62.100 0.278 0.000 0.929 381 T CB -0.319 68.603 68.868 0.090 0.000 1.152 381 T HN 0.465 nan 8.240 nan 0.000 0.517 382 Y N -1.489 118.980 120.300 0.282 0.000 2.605 382 Y HA 0.905 5.454 4.550 -0.001 0.000 0.343 382 Y C -0.826 175.225 175.900 0.251 0.000 1.036 382 Y CA -1.779 56.470 58.100 0.249 0.000 1.065 382 Y CB 1.383 39.929 38.460 0.144 0.000 1.288 382 Y HN -0.012 nan 8.280 nan 0.000 0.481 383 E N 1.762 122.081 120.200 0.199 0.000 2.304 383 E HA 0.428 4.778 4.350 -0.001 0.000 0.277 383 E C -2.975 173.697 176.600 0.121 0.000 0.898 383 E CA -1.845 54.605 56.400 0.083 0.000 0.764 383 E CB 2.216 31.931 29.700 0.025 0.000 1.216 383 E HN 0.772 nan 8.360 nan 0.000 0.419 384 P HA 0.311 nan 4.420 nan 0.000 0.271 384 P C -0.976 176.400 177.300 0.126 0.000 1.218 384 P CA -0.217 62.939 63.100 0.094 0.000 0.780 384 P CB 0.538 32.287 31.700 0.082 0.000 0.901 385 N N -1.712 116.996 118.700 0.015 0.000 2.697 385 N HA 0.446 5.185 4.740 -0.001 0.000 0.272 385 N C -0.480 175.033 175.510 0.006 0.000 1.381 385 N CA -0.913 52.118 53.050 -0.030 0.000 0.797 385 N CB 0.843 39.101 38.487 -0.381 0.000 1.523 385 N HN 0.006 nan 8.380 nan 0.000 0.518 386 S N -1.727 113.985 115.700 0.021 0.000 2.568 386 S HA 0.299 4.769 4.470 -0.001 0.000 0.232 386 S C 0.904 175.499 174.600 -0.008 0.000 0.975 386 S CA -0.231 57.980 58.200 0.019 0.000 0.949 386 S CB 0.023 63.249 63.200 0.044 0.000 0.829 386 S HN 0.772 nan 8.310 nan 0.000 0.479 387 G N 0.477 109.252 108.800 -0.042 0.000 3.393 387 G HA2 0.440 4.399 3.960 -0.001 0.000 0.255 387 G HA3 0.440 4.399 3.960 -0.001 0.000 0.255 387 G C 0.947 175.805 174.900 -0.071 0.000 1.097 387 G CA 0.022 45.090 45.100 -0.055 0.000 0.780 387 G HN 0.605 nan 8.290 nan 0.000 0.540 388 G N -0.430 108.334 108.800 -0.061 0.000 2.225 388 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.267 388 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.267 388 G C 0.176 175.025 174.900 -0.084 0.000 1.024 388 G CA 0.437 45.503 45.100 -0.058 0.000 0.784 388 G HN 0.751 nan 8.290 nan 0.000 0.507 389 V N -0.010 119.832 119.914 -0.119 0.000 2.612 389 V HA 0.696 4.815 4.120 -0.001 0.000 0.301 389 V C 1.131 177.155 176.094 -0.116 0.000 1.046 389 V CA -0.155 62.018 62.300 -0.212 0.000 0.946 389 V CB 0.986 32.607 31.823 -0.338 0.000 1.003 389 V HN 0.665 nan 8.190 nan 0.000 0.459 390 F N 1.417 121.416 119.950 0.082 0.000 3.067 390 F HA -0.179 4.347 4.527 -0.001 0.000 0.279 390 F C 0.846 176.640 175.800 -0.011 0.000 0.945 390 F CA 0.291 58.295 58.000 0.006 0.000 0.948 390 F CB -1.637 37.327 39.000 -0.059 0.000 0.898 390 F HN 0.561 nan 8.300 nan 0.000 0.746 391 Q N 1.510 121.390 119.800 0.135 0.000 2.304 391 Q HA 0.188 4.527 4.340 -0.001 0.000 0.260 391 Q C 0.902 176.956 176.000 0.089 0.000 0.965 391 Q CA -0.063 55.790 55.803 0.083 0.000 0.898 391 Q CB 0.828 29.594 28.738 0.047 0.000 1.196 391 Q HN 0.683 nan 8.270 nan 0.000 0.402 392 E N 1.841 122.080 120.200 0.064 0.000 2.409 392 E HA 0.026 4.375 4.350 -0.001 0.000 0.257 392 E C -0.717 175.936 176.600 0.088 0.000 1.150 392 E CA -0.164 56.274 56.400 0.063 0.000 0.942 392 E CB 0.541 30.264 29.700 0.039 0.000 0.979 392 E HN 0.390 nan 8.360 nan 0.000 0.447 393 Q N 1.398 121.272 119.800 0.123 0.000 2.571 393 Q HA 0.192 4.531 4.340 -0.001 0.000 0.243 393 Q C -2.063 174.043 176.000 0.177 0.000 1.055 393 Q CA -1.775 54.143 55.803 0.192 0.000 0.815 393 Q CB 1.462 30.409 28.738 0.349 0.000 1.151 393 Q HN 0.488 nan 8.270 nan 0.000 0.519 394 P HA -0.132 nan 4.420 nan 0.000 0.225 394 P C 0.237 177.529 177.300 -0.014 0.000 1.148 394 P CA 0.910 64.033 63.100 0.038 0.000 0.779 394 P CB 0.397 32.104 31.700 0.012 0.000 0.780 395 D N -1.413 118.931 120.400 -0.094 0.000 2.264 395 D HA -0.071 4.568 4.640 -0.001 0.000 0.208 395 D C 0.769 176.813 176.300 -0.426 0.000 0.966 395 D CA 0.943 54.760 54.000 -0.305 0.000 0.864 395 D CB -0.492 40.016 40.800 -0.487 0.000 0.933 395 D HN 0.271 nan 8.370 nan 0.000 0.499 396 F N 0.713 120.659 119.950 -0.007 0.000 2.645 396 F HA 0.205 4.731 4.527 -0.001 0.000 0.300 396 F C 0.948 176.741 175.800 -0.012 0.000 1.115 396 F CA -0.434 57.559 58.000 -0.011 0.000 1.355 396 F CB -0.153 38.842 39.000 -0.008 0.000 1.026 396 F HN -0.420 nan 8.300 nan 0.000 0.536 397 K N 1.671 122.122 120.400 0.086 0.000 2.489 397 K HA 0.039 4.359 4.320 -0.001 0.000 0.278 397 K C 0.172 176.794 176.600 0.038 0.000 1.000 397 K CA 0.454 56.772 56.287 0.053 0.000 1.012 397 K CB 0.431 32.941 32.500 0.016 0.000 0.903 397 K HN 0.287 nan 8.250 nan 0.000 0.485 398 E N 3.796 124.015 120.200 0.032 0.000 2.202 398 E HA 0.260 4.610 4.350 -0.001 0.000 0.272 398 E C -2.143 174.456 176.600 -0.001 0.000 0.951 398 E CA -2.040 54.368 56.400 0.012 0.000 0.813 398 E CB 1.177 30.882 29.700 0.009 0.000 1.151 398 E HN 0.455 nan 8.360 nan 0.000 0.398 399 P HA 0.154 nan 4.420 nan 0.000 0.270 399 P C -2.528 174.760 177.300 -0.020 0.000 1.223 399 P CA -1.003 62.080 63.100 -0.028 0.000 0.785 399 P CB -0.216 31.451 31.700 -0.054 0.000 0.923 400 P HA 0.266 nan 4.420 nan 0.000 0.272 400 P C -0.860 176.440 177.300 -0.001 0.000 1.240 400 P CA -0.253 62.847 63.100 -0.001 0.000 0.791 400 P CB 0.276 31.976 31.700 0.000 0.000 0.978 401 L N 1.253 122.487 121.223 0.019 0.000 2.343 401 L HA 0.379 4.719 4.340 -0.001 0.000 0.278 401 L C -0.140 176.750 176.870 0.033 0.000 0.996 401 L CA -0.338 54.524 54.840 0.037 0.000 0.831 401 L CB 0.970 43.073 42.059 0.073 0.000 1.232 401 L HN 0.452 nan 8.230 nan 0.000 0.413 402 S N 4.932 120.651 115.700 0.032 0.000 2.560 402 S HA 0.499 4.969 4.470 -0.001 0.000 0.284 402 S C 0.024 174.633 174.600 0.015 0.000 1.327 402 S CA -0.360 57.852 58.200 0.021 0.000 1.055 402 S CB 0.326 63.537 63.200 0.019 0.000 0.868 402 S HN 0.526 nan 8.310 nan 0.000 0.506 403 I N 1.783 122.355 120.570 0.003 0.000 2.378 403 I HA 0.375 4.545 4.170 -0.001 0.000 0.291 403 I C -0.544 175.560 176.117 -0.022 0.000 0.992 403 I CA -0.563 60.730 61.300 -0.013 0.000 1.154 403 I CB 1.709 39.706 38.000 -0.005 0.000 1.315 403 I HN 0.603 nan 8.210 nan 0.000 0.448 404 E N 4.562 124.732 120.200 -0.051 0.000 2.129 404 E HA 0.718 5.068 4.350 -0.001 0.000 0.268 404 E C -0.047 176.483 176.600 -0.116 0.000 0.900 404 E CA -0.200 56.161 56.400 -0.066 0.000 0.755 404 E CB 1.811 31.468 29.700 -0.071 0.000 1.117 404 E HN 0.814 nan 8.360 nan 0.000 0.410 405 G N 1.500 110.261 108.800 -0.065 0.000 2.570 405 G HA2 0.265 4.225 3.960 -0.001 0.000 0.686 405 G HA3 0.265 4.225 3.960 -0.001 0.000 0.686 405 G C -0.465 174.489 174.900 0.090 0.000 1.257 405 G CA -0.611 44.462 45.100 -0.046 0.000 0.846 405 G HN 0.675 nan 8.290 nan 0.000 0.627 406 A N -0.027 122.965 122.820 0.286 0.000 2.246 406 A HA 0.998 5.318 4.320 -0.001 0.000 0.291 406 A C 0.995 178.809 177.584 0.384 0.000 1.103 406 A CA 0.809 53.019 52.037 0.288 0.000 0.844 406 A CB 0.703 19.855 19.000 0.254 0.000 1.136 406 A HN 2.607 nan 8.150 nan 0.000 0.500 407 A N 0.632 123.579 122.820 0.210 0.000 2.354 407 A HA 0.571 4.891 4.320 -0.001 0.000 0.281 407 A C -0.231 177.392 177.584 0.065 0.000 1.174 407 A CA 0.070 52.201 52.037 0.156 0.000 0.828 407 A CB -0.102 18.931 19.000 0.055 0.000 1.099 407 A HN 0.886 nan 8.150 nan 0.000 0.516 408 D N -0.439 119.969 120.400 0.013 0.000 2.764 408 D HA 0.133 4.773 4.640 -0.001 0.000 0.293 408 D C -1.299 174.800 176.300 -0.335 0.000 1.287 408 D CA -0.491 53.323 54.000 -0.311 0.000 0.768 408 D CB 0.640 40.994 40.800 -0.744 0.000 1.288 408 D HN 0.543 nan 8.370 nan 0.000 0.426 409 H N 1.204 120.097 119.070 -0.295 0.000 2.911 409 H HA 0.182 4.738 4.556 -0.001 0.000 0.273 409 H C -0.560 174.643 175.328 -0.209 0.000 1.157 409 H CA 0.004 55.971 56.048 -0.135 0.000 1.402 409 H CB -0.023 29.679 29.762 -0.099 0.000 1.463 409 H HN 0.102 nan 8.280 nan 0.000 0.475 410 W N 2.695 124.063 121.300 0.115 0.000 2.331 410 W HA 0.082 4.741 4.660 -0.001 0.000 0.306 410 W C 0.872 177.450 176.519 0.099 0.000 1.162 410 W CA -0.640 56.758 57.345 0.087 0.000 1.232 410 W CB 0.361 29.858 29.460 0.062 0.000 1.235 410 W HN 0.464 nan 8.180 nan 0.000 0.479 411 N N 2.983 121.838 118.700 0.258 0.000 2.427 411 N HA -0.102 4.637 4.740 -0.001 0.000 0.269 411 N C 1.136 176.733 175.510 0.145 0.000 1.235 411 N CA 0.292 53.417 53.050 0.125 0.000 0.934 411 N CB 0.320 38.835 38.487 0.047 0.000 1.121 411 N HN 0.542 nan 8.380 nan 0.000 0.480 412 H N 2.360 121.530 119.070 0.166 0.000 2.546 412 H HA 0.125 4.680 4.556 -0.001 0.000 0.277 412 H C 0.768 176.171 175.328 0.124 0.000 1.004 412 H CA 0.961 57.095 56.048 0.143 0.000 1.231 412 H CB 0.097 29.946 29.762 0.145 0.000 1.382 412 H HN 0.429 nan 8.280 nan 0.000 0.580 413 R N 0.916 121.295 120.500 -0.202 0.000 2.328 413 R HA -0.006 4.333 4.340 -0.001 0.000 0.206 413 R C 0.699 177.003 176.300 0.006 0.000 0.990 413 R CA 0.262 56.336 56.100 -0.045 0.000 1.085 413 R CB 0.116 30.378 30.300 -0.064 0.000 0.998 413 R HN 0.483 nan 8.270 nan 0.000 0.484 414 E N 0.764 120.980 120.200 0.028 0.000 2.285 414 E HA -0.086 4.263 4.350 -0.001 0.000 0.194 414 E C -0.018 176.575 176.600 -0.012 0.000 0.997 414 E CA 0.690 57.109 56.400 0.031 0.000 0.845 414 E CB 0.085 29.828 29.700 0.072 0.000 0.782 414 E HN 0.163 nan 8.360 nan 0.000 0.491 415 D N 1.146 121.528 120.400 -0.030 0.000 2.428 415 D HA 0.052 4.691 4.640 -0.001 0.000 0.221 415 D C -0.052 176.039 176.300 -0.348 0.000 1.123 415 D CA -0.018 53.919 54.000 -0.105 0.000 0.869 415 D CB 0.418 41.201 40.800 -0.029 0.000 1.032 415 D HN -0.130 nan 8.370 nan 0.000 0.506 416 E N 2.078 122.037 120.200 -0.402 0.000 2.419 416 E HA -0.007 4.342 4.350 -0.001 0.000 0.190 416 E C -0.367 175.764 176.600 -0.783 0.000 1.040 416 E CA -0.144 55.804 56.400 -0.753 0.000 0.900 416 E CB 0.421 29.981 29.700 -0.233 0.000 1.054 416 E HN 0.322 nan 8.360 nan 0.000 0.462 417 D N 0.038 120.104 120.400 -0.557 0.000 2.517 417 D HA -0.015 4.625 4.640 -0.001 0.000 0.220 417 D C -0.196 175.872 176.300 -0.386 0.000 1.158 417 D CA -0.058 53.754 54.000 -0.314 0.000 0.992 417 D CB -0.084 40.640 40.800 -0.127 0.000 1.058 417 D HN 0.103 nan 8.370 nan 0.000 0.516 418 Y N 1.234 121.243 120.300 -0.484 0.000 2.462 418 Y HA 0.180 4.729 4.550 -0.001 0.000 0.253 418 Y C 1.137 176.615 175.900 -0.703 0.000 1.095 418 Y CA -0.189 57.494 58.100 -0.694 0.000 1.283 418 Y CB -0.044 37.734 38.460 -1.136 0.000 1.138 418 Y HN 0.228 nan 8.280 nan 0.000 0.522 419 F N -1.139 118.910 119.950 0.165 0.000 2.559 419 F HA 0.055 4.581 4.527 -0.001 0.000 0.286 419 F C 2.452 178.286 175.800 0.055 0.000 1.108 419 F CA 0.529 58.590 58.000 0.103 0.000 1.436 419 F CB -0.936 38.121 39.000 0.096 0.000 1.130 419 F HN -0.054 nan 8.300 nan 0.000 0.584 420 S N 0.414 116.213 115.700 0.164 0.000 2.383 420 S HA -0.251 4.218 4.470 -0.001 0.000 0.229 420 S C 1.773 176.383 174.600 0.018 0.000 1.030 420 S CA 1.444 59.700 58.200 0.094 0.000 1.002 420 S CB -0.732 62.505 63.200 0.061 0.000 0.829 420 S HN 0.519 nan 8.310 nan 0.000 0.467 421 Q N 1.199 120.945 119.800 -0.089 0.000 2.096 421 Q HA 0.053 4.392 4.340 -0.001 0.000 0.197 421 Q C -0.529 175.257 176.000 -0.356 0.000 0.964 421 Q CA 1.116 56.754 55.803 -0.276 0.000 0.838 421 Q CB -1.013 27.472 28.738 -0.421 0.000 0.906 421 Q HN 0.575 nan 8.270 nan 0.000 0.444 422 P HA -0.127 nan 4.420 nan 0.000 0.229 422 P C 0.933 178.347 177.300 0.190 0.000 1.160 422 P CA 1.023 64.134 63.100 0.019 0.000 0.777 422 P CB -0.065 31.750 31.700 0.192 0.000 0.814 423 R N 0.603 121.211 120.500 0.180 0.000 2.073 423 R HA -0.022 4.317 4.340 -0.001 0.000 0.229 423 R C 2.224 178.659 176.300 0.224 0.000 1.120 423 R CA 1.415 57.668 56.100 0.256 0.000 0.967 423 R CB -0.741 29.698 30.300 0.231 0.000 0.862 423 R HN 0.006 nan 8.270 nan 0.000 0.436 424 A N 1.327 124.222 122.820 0.124 0.000 1.908 424 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 424 A C 2.034 179.675 177.584 0.095 0.000 1.181 424 A CA 1.346 53.437 52.037 0.090 0.000 0.627 424 A CB -0.586 18.436 19.000 0.037 0.000 0.818 424 A HN 0.404 nan 8.150 nan 0.000 0.445 425 L N -1.784 119.505 121.223 0.110 0.000 2.027 425 L HA -0.093 4.246 4.340 -0.001 0.000 0.206 425 L C 2.296 179.243 176.870 0.128 0.000 1.074 425 L CA 2.350 57.264 54.840 0.124 0.000 0.745 425 L CB -0.971 41.195 42.059 0.179 0.000 0.898 425 L HN 0.497 nan 8.230 nan 0.000 0.433 426 Y N 0.894 121.211 120.300 0.029 0.000 2.128 426 Y HA -0.274 4.276 4.550 -0.001 0.000 0.284 426 Y C 2.369 178.300 175.900 0.051 0.000 1.154 426 Y CA 2.328 60.394 58.100 -0.057 0.000 1.149 426 Y CB -0.244 38.106 38.460 -0.183 0.000 0.976 426 Y HN 0.400 nan 8.280 nan 0.000 0.505 427 E N -0.136 120.105 120.200 0.067 0.000 2.268 427 E HA -0.153 4.197 4.350 -0.001 0.000 0.195 427 E C 2.020 178.596 176.600 -0.040 0.000 0.995 427 E CA 0.961 57.365 56.400 0.007 0.000 0.836 427 E CB -0.163 29.610 29.700 0.120 0.000 0.763 427 E HN 0.528 nan 8.360 nan 0.000 0.491 428 L N 0.597 121.802 121.223 -0.030 0.000 2.341 428 L HA 0.045 4.385 4.340 -0.001 0.000 0.214 428 L C 0.825 177.626 176.870 -0.114 0.000 1.115 428 L CA 0.080 54.890 54.840 -0.050 0.000 0.820 428 L CB 0.064 42.113 42.059 -0.016 0.000 0.944 428 L HN 0.049 nan 8.230 nan 0.000 0.452 429 L N -0.236 120.889 121.223 -0.163 0.000 2.395 429 L HA 0.191 4.531 4.340 -0.001 0.000 0.269 429 L C 0.923 177.445 176.870 -0.580 0.000 1.133 429 L CA -0.427 54.241 54.840 -0.287 0.000 0.812 429 L CB 1.129 43.049 42.059 -0.232 0.000 1.125 429 L HN 0.111 nan 8.230 nan 0.000 0.452 430 S N -0.080 115.311 115.700 -0.515 0.000 2.608 430 S HA 0.050 4.519 4.470 -0.001 0.000 0.261 430 S C 0.609 174.719 174.600 -0.816 0.000 1.314 430 S CA -0.662 57.222 58.200 -0.526 0.000 0.992 430 S CB 0.923 63.940 63.200 -0.305 0.000 0.935 430 S HN 0.609 nan 8.310 nan 0.000 0.564 431 D N 0.638 120.726 120.400 -0.521 0.000 2.178 431 D HA -0.076 4.563 4.640 -0.001 0.000 0.201 431 D C 1.143 177.279 176.300 -0.275 0.000 0.980 431 D CA 1.181 54.964 54.000 -0.362 0.000 0.842 431 D CB -0.349 40.364 40.800 -0.146 0.000 0.948 431 D HN 0.588 nan 8.370 nan 0.000 0.472 432 D N 0.621 120.872 120.400 -0.247 0.000 2.149 432 D HA -0.081 4.558 4.640 -0.001 0.000 0.201 432 D C 1.933 178.101 176.300 -0.219 0.000 0.972 432 D CA 0.542 54.434 54.000 -0.181 0.000 0.835 432 D CB -0.072 40.645 40.800 -0.138 0.000 0.966 432 D HN 0.296 nan 8.370 nan 0.000 0.476 433 E N -0.224 119.801 120.200 -0.292 0.000 2.072 433 E HA -0.144 4.206 4.350 -0.001 0.000 0.191 433 E C 1.894 178.307 176.600 -0.311 0.000 0.985 433 E CA 0.636 56.875 56.400 -0.269 0.000 0.801 433 E CB -0.054 29.481 29.700 -0.274 0.000 0.750 433 E HN 0.565 nan 8.360 nan 0.000 0.452 434 H N -0.158 118.604 119.070 -0.513 0.000 2.352 434 H HA -0.104 4.452 4.556 -0.001 0.000 0.299 434 H C 2.326 176.882 175.328 -1.287 0.000 1.097 434 H CA 0.738 56.245 56.048 -0.902 0.000 1.311 434 H CB 0.286 29.593 29.762 -0.759 0.000 1.377 434 H HN 0.064 nan 8.280 nan 0.000 0.504 435 Q N 0.683 120.174 119.800 -0.516 0.000 2.124 435 Q HA -0.096 4.244 4.340 -0.001 0.000 0.202 435 Q C 2.275 178.164 176.000 -0.185 0.000 0.977 435 Q CA 1.058 56.712 55.803 -0.250 0.000 0.850 435 Q CB -0.143 28.564 28.738 -0.052 0.000 0.901 435 Q HN 0.530 nan 8.270 nan 0.000 0.429 436 R N -0.273 120.111 120.500 -0.194 0.000 2.092 436 R HA 0.037 4.377 4.340 -0.001 0.000 0.231 436 R C 2.415 178.655 176.300 -0.101 0.000 1.119 436 R CA 1.015 57.051 56.100 -0.107 0.000 0.970 436 R CB -0.189 30.055 30.300 -0.093 0.000 0.864 436 R HN 0.259 nan 8.270 nan 0.000 0.440 437 M N -0.203 119.272 119.600 -0.208 0.000 2.117 437 M HA -0.144 4.335 4.480 -0.001 0.000 0.262 437 M C 1.733 178.032 176.300 -0.001 0.000 1.065 437 M CA 1.658 56.877 55.300 -0.135 0.000 1.114 437 M CB -0.270 32.188 32.600 -0.237 0.000 1.361 437 M HN 0.025 nan 8.290 nan 0.000 0.408 438 F N 0.534 120.484 119.950 0.000 0.000 2.134 438 F HA -0.098 4.428 4.527 -0.001 0.000 0.299 438 F C 2.730 178.514 175.800 -0.028 0.000 1.097 438 F CA 1.099 59.084 58.000 -0.026 0.000 1.264 438 F CB -1.687 37.307 39.000 -0.011 0.000 1.001 438 F HN 0.113 nan 8.300 nan 0.000 0.479 439 A N 0.090 123.008 122.820 0.163 0.000 1.930 439 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 439 A C 2.350 179.974 177.584 0.067 0.000 1.175 439 A CA 1.359 53.450 52.037 0.091 0.000 0.627 439 A CB -0.611 18.425 19.000 0.060 0.000 0.815 439 A HN 0.306 nan 8.150 nan 0.000 0.443 440 R N -0.558 119.984 120.500 0.070 0.000 2.073 440 R HA 0.072 4.411 4.340 -0.001 0.000 0.229 440 R C 1.920 178.281 176.300 0.101 0.000 1.120 440 R CA 1.441 57.593 56.100 0.085 0.000 0.967 440 R CB -0.388 29.967 30.300 0.092 0.000 0.862 440 R HN 0.556 nan 8.270 nan 0.000 0.436 441 I N 0.481 121.099 120.570 0.080 0.000 2.252 441 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 441 I C 2.546 178.591 176.117 -0.120 0.000 1.102 441 I CA 1.128 62.420 61.300 -0.013 0.000 1.385 441 I CB -0.388 37.565 38.000 -0.079 0.000 1.064 441 I HN 0.186 nan 8.210 nan 0.000 0.414 442 A N 1.043 123.832 122.820 -0.050 0.000 1.908 442 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 442 A C 2.436 179.996 177.584 -0.041 0.000 1.181 442 A CA 1.938 53.939 52.037 -0.059 0.000 0.627 442 A CB -1.478 17.515 19.000 -0.011 0.000 0.818 442 A HN 0.469 nan 8.150 nan 0.000 0.445 443 G N -0.828 107.975 108.800 0.005 0.000 2.448 443 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.219 443 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.219 443 G C 1.445 176.370 174.900 0.041 0.000 1.127 443 G CA 1.077 46.194 45.100 0.028 0.000 0.766 443 G HN 0.685 nan 8.290 nan 0.000 0.552 444 E N -0.805 119.423 120.200 0.046 0.000 2.110 444 E HA 0.109 4.459 4.350 -0.001 0.000 0.193 444 E C 2.230 178.804 176.600 -0.043 0.000 0.950 444 E CA -0.127 56.347 56.400 0.123 0.000 0.840 444 E CB -0.144 29.804 29.700 0.413 0.000 0.809 444 E HN 0.254 nan 8.360 nan 0.000 0.465 445 L N 1.768 122.771 121.223 -0.366 0.000 2.191 445 L HA -0.111 4.228 4.340 -0.001 0.000 0.212 445 L C 2.227 178.994 176.870 -0.170 0.000 1.103 445 L CA 1.679 56.239 54.840 -0.467 0.000 0.769 445 L CB -0.424 41.239 42.059 -0.660 0.000 0.908 445 L HN 0.057 nan 8.230 nan 0.000 0.438 446 S N -1.996 113.643 115.700 -0.102 0.000 2.481 446 S HA -0.172 4.298 4.470 -0.001 0.000 0.231 446 S C 1.677 176.265 174.600 -0.019 0.000 0.996 446 S CA 0.701 58.871 58.200 -0.050 0.000 0.942 446 S CB -0.476 62.703 63.200 -0.035 0.000 0.768 446 S HN 0.661 nan 8.310 nan 0.000 0.520 447 Q N 0.832 120.631 119.800 -0.002 0.000 2.451 447 Q HA 0.392 4.731 4.340 -0.001 0.000 0.206 447 Q C 0.866 176.884 176.000 0.030 0.000 0.947 447 Q CA 0.386 56.200 55.803 0.017 0.000 0.937 447 Q CB 0.000 28.759 28.738 0.035 0.000 1.025 447 Q HN 0.736 nan 8.270 nan 0.000 0.511 448 A N 1.171 124.016 122.820 0.041 0.000 2.257 448 A HA 0.428 4.747 4.320 -0.001 0.000 0.289 448 A C 0.385 177.995 177.584 0.043 0.000 1.095 448 A CA -0.536 51.544 52.037 0.072 0.000 0.836 448 A CB 0.525 19.592 19.000 0.113 0.000 1.111 448 A HN 0.270 nan 8.150 nan 0.000 0.497 449 S N 0.317 116.052 115.700 0.058 0.000 2.589 449 S HA 0.151 4.620 4.470 -0.001 0.000 0.265 449 S C 0.784 175.397 174.600 0.023 0.000 1.342 449 S CA -0.259 57.965 58.200 0.041 0.000 1.005 449 S CB 0.559 63.792 63.200 0.055 0.000 0.909 449 S HN 0.579 nan 8.310 nan 0.000 0.555 450 K N 0.983 121.390 120.400 0.012 0.000 2.097 450 K HA -0.131 4.189 4.320 -0.001 0.000 0.206 450 K C 2.081 178.679 176.600 -0.003 0.000 1.049 450 K CA 1.679 57.966 56.287 0.000 0.000 0.933 450 K CB -0.575 31.924 32.500 -0.001 0.000 0.717 450 K HN 0.886 nan 8.250 nan 0.000 0.442 451 E N 0.308 120.512 120.200 0.007 0.000 2.051 451 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 451 E C 1.570 178.163 176.600 -0.012 0.000 0.991 451 E CA 1.545 57.946 56.400 0.001 0.000 0.799 451 E CB 0.150 29.861 29.700 0.018 0.000 0.748 451 E HN 0.166 nan 8.360 nan 0.000 0.449 452 T N 0.758 115.316 114.554 0.007 0.000 2.777 452 T HA -0.127 4.223 4.350 -0.001 0.000 0.266 452 T C 1.827 176.525 174.700 -0.004 0.000 1.040 452 T CA 1.166 63.271 62.100 0.009 0.000 1.141 452 T CB -0.122 68.794 68.868 0.081 0.000 0.868 452 T HN 0.244 nan 8.240 nan 0.000 0.444 453 Q N 0.455 120.249 119.800 -0.010 0.000 2.061 453 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 453 Q C 2.500 178.473 176.000 -0.045 0.000 0.984 453 Q CA 1.480 57.261 55.803 -0.037 0.000 0.846 453 Q CB -0.173 28.542 28.738 -0.037 0.000 0.902 453 Q HN 0.341 nan 8.270 nan 0.000 0.421 454 Q N 0.816 120.591 119.800 -0.041 0.000 2.079 454 Q HA -0.123 4.217 4.340 -0.001 0.000 0.200 454 Q C 1.870 177.831 176.000 -0.064 0.000 0.974 454 Q CA 1.484 57.259 55.803 -0.047 0.000 0.840 454 Q CB -0.078 28.638 28.738 -0.038 0.000 0.898 454 Q HN 0.164 nan 8.270 nan 0.000 0.430 455 R N -0.581 119.874 120.500 -0.074 0.000 2.081 455 R HA -0.199 4.140 4.340 -0.001 0.000 0.235 455 R C 2.130 178.350 176.300 -0.133 0.000 1.131 455 R CA 1.775 57.812 56.100 -0.105 0.000 0.960 455 R CB -0.058 30.156 30.300 -0.142 0.000 0.856 455 R HN 0.252 nan 8.270 nan 0.000 0.436 456 Q N 0.563 120.285 119.800 -0.129 0.000 2.123 456 Q HA -0.034 4.305 4.340 -0.001 0.000 0.199 456 Q C 1.865 177.714 176.000 -0.252 0.000 0.966 456 Q CA 1.423 57.095 55.803 -0.218 0.000 0.845 456 Q CB -0.070 28.595 28.738 -0.123 0.000 0.907 456 Q HN 0.417 nan 8.270 nan 0.000 0.439 457 I N 0.625 121.146 120.570 -0.082 0.000 2.286 457 I HA -0.260 3.910 4.170 -0.001 0.000 0.248 457 I C 1.309 177.397 176.117 -0.049 0.000 1.115 457 I CA 1.252 62.556 61.300 0.006 0.000 1.392 457 I CB -0.203 37.786 38.000 -0.019 0.000 1.065 457 I HN 0.179 nan 8.210 nan 0.000 0.418 458 D N 0.563 120.907 120.400 -0.094 0.000 2.178 458 D HA -0.102 4.537 4.640 -0.001 0.000 0.202 458 D C 2.309 178.518 176.300 -0.152 0.000 0.974 458 D CA 1.108 55.042 54.000 -0.109 0.000 0.841 458 D CB -0.102 40.639 40.800 -0.097 0.000 0.953 458 D HN 0.309 nan 8.370 nan 0.000 0.478 459 L N -0.596 120.517 121.223 -0.184 0.000 2.109 459 L HA -0.078 4.262 4.340 -0.001 0.000 0.207 459 L C 2.092 178.855 176.870 -0.178 0.000 1.086 459 L CA 0.562 55.296 54.840 -0.176 0.000 0.760 459 L CB -0.285 41.643 42.059 -0.219 0.000 0.910 459 L HN -0.049 nan 8.230 nan 0.000 0.437 460 F N 0.242 120.053 119.950 -0.232 0.000 2.293 460 F HA -0.138 4.389 4.527 -0.001 0.000 0.300 460 F C 2.630 178.246 175.800 -0.307 0.000 1.086 460 F CA 1.114 58.842 58.000 -0.454 0.000 1.375 460 F CB -1.161 37.462 39.000 -0.627 0.000 1.045 460 F HN -0.002 nan 8.300 nan 0.000 0.516 461 T N -0.534 113.994 114.554 -0.045 0.000 2.857 461 T HA -0.132 4.217 4.350 -0.001 0.000 0.266 461 T C 1.959 176.573 174.700 -0.144 0.000 1.048 461 T CA 1.000 63.054 62.100 -0.076 0.000 1.139 461 T CB -0.127 68.688 68.868 -0.089 0.000 0.874 461 T HN 0.183 nan 8.240 nan 0.000 0.455 462 K N 0.679 120.913 120.400 -0.277 0.000 2.283 462 K HA 0.018 4.338 4.320 -0.001 0.000 0.202 462 K C 2.088 178.473 176.600 -0.357 0.000 1.048 462 K CA 0.572 56.540 56.287 -0.533 0.000 0.948 462 K CB -0.085 31.707 32.500 -1.179 0.000 0.742 462 K HN 0.204 nan 8.250 nan 0.000 0.458 463 V N -0.300 119.576 119.914 -0.062 0.000 2.379 463 V HA -0.071 4.048 4.120 -0.001 0.000 0.243 463 V C 0.694 176.887 176.094 0.165 0.000 1.035 463 V CA 1.013 63.423 62.300 0.183 0.000 1.035 463 V CB -0.200 31.797 31.823 0.291 0.000 0.673 463 V HN 0.365 nan 8.190 nan 0.000 0.457 464 H N -1.885 117.174 119.070 -0.019 0.000 3.153 464 H HA 0.190 4.746 4.556 -0.001 0.000 0.323 464 H C -2.597 172.702 175.328 -0.048 0.000 1.096 464 H CA -0.872 55.154 56.048 -0.037 0.000 1.385 464 H CB 2.380 32.072 29.762 -0.116 0.000 2.027 464 H HN -0.110 nan 8.280 nan 0.000 0.499 465 P HA -0.103 nan 4.420 nan 0.000 0.218 465 P C 0.899 178.267 177.300 0.114 0.000 1.148 465 P CA 1.326 64.449 63.100 0.038 0.000 0.822 465 P CB 0.420 32.106 31.700 -0.024 0.000 0.784 466 E N -2.451 117.942 120.200 0.320 0.000 2.274 466 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 466 E C 1.646 178.280 176.600 0.057 0.000 0.996 466 E CA 0.508 57.028 56.400 0.199 0.000 0.840 466 E CB -0.383 29.497 29.700 0.301 0.000 0.772 466 E HN 0.285 nan 8.360 nan 0.000 0.491 467 Y N 0.931 121.118 120.300 -0.188 0.000 2.184 467 Y HA -0.012 4.537 4.550 -0.001 0.000 0.290 467 Y C 2.295 177.980 175.900 -0.359 0.000 1.129 467 Y CA 1.484 59.364 58.100 -0.366 0.000 1.144 467 Y CB -0.765 37.288 38.460 -0.678 0.000 0.995 467 Y HN -0.037 nan 8.280 nan 0.000 0.513 468 G N -0.395 108.379 108.800 -0.043 0.000 2.402 468 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.216 468 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.216 468 G C 1.870 176.678 174.900 -0.153 0.000 1.162 468 G CA 1.107 46.163 45.100 -0.074 0.000 0.777 468 G HN 0.529 nan 8.290 nan 0.000 0.539 469 A N 0.801 123.524 122.820 -0.161 0.000 1.930 469 A HA 0.195 4.514 4.320 -0.001 0.000 0.217 469 A C 2.670 180.060 177.584 -0.324 0.000 1.175 469 A CA 1.993 53.924 52.037 -0.176 0.000 0.627 469 A CB -0.928 18.008 19.000 -0.106 0.000 0.815 469 A HN 0.500 nan 8.150 nan 0.000 0.443 470 G N -0.751 107.672 108.800 -0.629 0.000 2.408 470 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.217 470 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.217 470 G C 1.455 175.773 174.900 -0.970 0.000 1.150 470 G CA 1.175 45.527 45.100 -1.247 0.000 0.776 470 G HN 0.306 nan 8.290 nan 0.000 0.542 471 V N 0.372 119.883 119.914 -0.671 0.000 2.453 471 V HA -0.097 4.022 4.120 -0.001 0.000 0.247 471 V C 2.531 178.515 176.094 -0.183 0.000 1.048 471 V CA 2.036 64.160 62.300 -0.294 0.000 1.049 471 V CB -0.135 31.541 31.823 -0.244 0.000 0.672 471 V HN 0.524 nan 8.190 nan 0.000 0.457 472 E N 0.275 120.368 120.200 -0.178 0.000 2.077 472 E HA -0.264 4.085 4.350 -0.001 0.000 0.193 472 E C 2.327 178.866 176.600 -0.102 0.000 0.989 472 E CA 1.380 57.711 56.400 -0.114 0.000 0.800 472 E CB -0.054 29.587 29.700 -0.099 0.000 0.746 472 E HN 0.513 nan 8.360 nan 0.000 0.452 473 K N -0.016 120.306 120.400 -0.129 0.000 2.057 473 K HA -0.109 4.210 4.320 -0.001 0.000 0.206 473 K C 2.014 178.583 176.600 -0.053 0.000 1.050 473 K CA 1.079 57.315 56.287 -0.086 0.000 0.935 473 K CB -0.144 32.299 32.500 -0.095 0.000 0.715 473 K HN 0.135 nan 8.250 nan 0.000 0.439 474 A N 1.073 123.861 122.820 -0.053 0.000 2.019 474 A HA -0.097 4.222 4.320 -0.001 0.000 0.219 474 A C 1.973 179.550 177.584 -0.012 0.000 1.164 474 A CA 1.122 53.160 52.037 0.002 0.000 0.644 474 A CB -0.429 18.607 19.000 0.060 0.000 0.805 474 A HN 0.335 nan 8.150 nan 0.000 0.449 475 I N -0.991 119.556 120.570 -0.038 0.000 2.406 475 I HA -0.194 3.976 4.170 -0.001 0.000 0.249 475 I C 2.412 178.512 176.117 -0.027 0.000 1.122 475 I CA 1.175 62.453 61.300 -0.038 0.000 1.431 475 I CB -0.180 37.787 38.000 -0.055 0.000 1.087 475 I HN 0.255 nan 8.210 nan 0.000 0.424 476 K N 0.354 120.737 120.400 -0.029 0.000 2.057 476 K HA -0.098 4.222 4.320 -0.001 0.000 0.206 476 K C 2.048 178.640 176.600 -0.012 0.000 1.050 476 K CA 1.111 57.385 56.287 -0.021 0.000 0.935 476 K CB -0.059 32.426 32.500 -0.024 0.000 0.715 476 K HN 0.130 nan 8.250 nan 0.000 0.439 477 V N 1.401 121.311 119.914 -0.008 0.000 2.427 477 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 477 V C 2.089 178.184 176.094 0.002 0.000 1.051 477 V CA 1.229 63.529 62.300 0.000 0.000 1.048 477 V CB -0.283 31.546 31.823 0.009 0.000 0.666 477 V HN 0.241 nan 8.190 nan 0.000 0.456 478 L N -0.200 121.023 121.223 0.001 0.000 2.109 478 L HA 0.036 4.376 4.340 -0.001 0.000 0.207 478 L C 1.399 178.268 176.870 -0.001 0.000 1.086 478 L CA 1.472 56.314 54.840 0.002 0.000 0.760 478 L CB -0.276 41.784 42.059 0.001 0.000 0.910 478 L HN 0.384 nan 8.230 nan 0.000 0.437 479 E N 0.000 120.197 120.200 -0.005 0.000 2.725 479 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 479 E CA 0.000 56.396 56.400 -0.006 0.000 0.976 479 E CB 0.000 29.694 29.700 -0.010 0.000 0.812 479 E HN 0.000 nan 8.360 nan 0.000 0.440