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 3f29_1_B DATA FIRST_RESID 5 DATA SEQUENCE NLKPVDAMQC FDCHTQIEDM HTVGKHATVN CVHCHDATEH VETASSRRMG DATA SEQUENCE ERPVTRMDLE ACATCHTAQF NSFVEVRHES HPRLEKATPT SRSPMFDKLI DATA SEQUENCE AGHGFAFEHA EPRSHAFMLV DHFVVDRAYG GRFQFKNWQK VTDGMGAVRG DATA SEQUENCE AWTVLTDADP ESSDQRRFLS QTATAANPVC LNCKTQDHIL DWAYMGDEHE DATA SEQUENCE AAKWSRTSEV VEFARDLNHP LNCFMCHDPH SAGPRVVRDG LINAVVDRGL DATA SEQUENCE GTYPHDPVKS EQQGMTKVTF QRGREDFRAI GLLDTADSNV MCAQCHVEYN DATA SEQUENCE CNPGYQLSDG SRVGMDDRRA NHFFWANVFD YKEAAQEIDF FDFRHATTGA DATA SEQUENCE ALPKLQHPEA ETFWGSVHER NGVACADCHM PKVQLENGKV YTSHSQRTPR DATA SEQUENCE DMMGQACLNC HAEWTEDQAL YAIDYIKNYT HGKIVKSEYW LAKMIDLFPV DATA SEQUENCE AKRAGVSEDV LNQARELHYD AHLYWEWWTA ENSVGFHNPD QARESLMTSI DATA SEQUENCE SKSKEAVSLL NDAIDAQVAS 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.472 175.510 -0.063 0.000 1.280 5 N CA 0.000 53.022 53.050 -0.047 0.000 0.885 5 N CB 0.000 38.464 38.487 -0.038 0.000 1.341 6 L N 1.389 122.557 121.223 -0.091 0.000 2.490 6 L HA 0.166 4.506 4.340 0.000 0.000 0.274 6 L C 0.425 177.231 176.870 -0.106 0.000 1.201 6 L CA 0.133 54.895 54.840 -0.130 0.000 0.869 6 L CB 0.261 42.175 42.059 -0.242 0.000 1.123 6 L HN 0.179 nan 8.230 nan 0.000 0.484 7 K N 4.330 124.673 120.400 -0.094 0.000 2.244 7 K HA 0.476 4.796 4.320 0.000 0.000 0.260 7 K C -2.333 174.222 176.600 -0.076 0.000 0.951 7 K CA -1.892 54.353 56.287 -0.070 0.000 0.826 7 K CB 1.535 34.005 32.500 -0.049 0.000 1.108 7 K HN 0.289 nan 8.250 nan 0.000 0.433 8 P HA 0.074 nan 4.420 nan 0.000 0.272 8 P C 0.010 177.282 177.300 -0.047 0.000 1.223 8 P CA -0.443 62.627 63.100 -0.051 0.000 0.784 8 P CB 0.699 32.386 31.700 -0.023 0.000 0.923 9 V N -1.634 118.249 119.914 -0.052 0.000 3.096 9 V HA 0.452 4.572 4.120 0.000 0.000 0.319 9 V C 0.045 176.094 176.094 -0.075 0.000 1.082 9 V CA -0.935 61.330 62.300 -0.059 0.000 1.022 9 V CB 1.315 33.102 31.823 -0.061 0.000 1.103 9 V HN 0.385 nan 8.190 nan 0.000 0.455 10 D N 1.692 122.043 120.400 -0.081 0.000 2.359 10 D HA 0.467 5.107 4.640 0.000 0.000 0.250 10 D C 1.010 177.201 176.300 -0.182 0.000 1.264 10 D CA 0.501 54.443 54.000 -0.097 0.000 0.911 10 D CB 1.127 41.886 40.800 -0.069 0.000 1.056 10 D HN 0.867 nan 8.370 nan 0.000 0.499 11 A N 4.201 126.863 122.820 -0.263 0.000 2.019 11 A HA -0.189 4.131 4.320 0.000 0.000 0.219 11 A C 1.981 179.109 177.584 -0.759 0.000 1.164 11 A CA 0.952 52.627 52.037 -0.604 0.000 0.644 11 A CB -0.338 18.248 19.000 -0.691 0.000 0.805 11 A HN 0.611 nan 8.150 nan 0.000 0.449 12 M N -0.621 118.801 119.600 -0.297 0.000 2.117 12 M HA -0.184 4.296 4.480 0.000 0.000 0.262 12 M C 2.197 178.467 176.300 -0.051 0.000 1.065 12 M CA 1.956 57.226 55.300 -0.050 0.000 1.114 12 M CB -0.517 32.107 32.600 0.039 0.000 1.361 12 M HN 0.629 nan 8.290 nan 0.000 0.408 13 Q N -0.904 118.838 119.800 -0.097 0.000 2.061 13 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 13 Q C 2.154 178.112 176.000 -0.071 0.000 0.984 13 Q CA 2.319 58.079 55.803 -0.070 0.000 0.846 13 Q CB -0.192 28.501 28.738 -0.075 0.000 0.902 13 Q HN 0.622 nan 8.270 nan 0.000 0.421 14 C N 0.153 119.369 119.300 -0.140 0.000 2.398 14 C HA -0.159 4.301 4.460 0.000 0.000 0.276 14 C C 2.364 177.411 174.990 0.096 0.000 1.222 14 C CA 0.409 59.393 59.018 -0.057 0.000 1.746 14 C CB -1.489 26.117 27.740 -0.224 0.000 2.039 14 C HN 0.519 nan 8.230 nan 0.000 0.470 15 F N 1.255 121.227 119.950 0.037 0.000 2.333 15 F HA -0.069 4.458 4.527 0.000 0.000 0.300 15 F C 2.008 177.816 175.800 0.013 0.000 1.083 15 F CA 1.453 59.476 58.000 0.038 0.000 1.395 15 F CB -1.254 37.759 39.000 0.022 0.000 1.056 15 F HN 0.264 nan 8.300 nan 0.000 0.529 16 D N -0.819 119.678 120.400 0.162 0.000 2.182 16 D HA -0.163 4.477 4.640 0.000 0.000 0.201 16 D C 1.922 178.223 176.300 0.002 0.000 0.986 16 D CA 1.284 55.321 54.000 0.062 0.000 0.847 16 D CB -0.053 40.758 40.800 0.019 0.000 0.942 16 D HN 0.248 nan 8.370 nan 0.000 0.467 17 C N -1.276 117.994 119.300 -0.050 0.000 2.865 17 C HA 0.216 4.676 4.460 0.000 0.000 0.280 17 C C 0.417 175.254 174.990 -0.255 0.000 1.255 17 C CA -0.415 58.482 59.018 -0.202 0.000 1.705 17 C CB -0.491 27.031 27.740 -0.363 0.000 2.080 17 C HN 0.309 nan 8.230 nan 0.000 0.591 18 H N 0.924 120.053 119.070 0.097 0.000 2.360 18 H HA 0.192 4.748 4.556 0.000 0.000 0.233 18 H C 0.872 176.266 175.328 0.111 0.000 1.473 18 H CA -0.003 56.111 56.048 0.110 0.000 1.352 18 H CB 0.576 30.405 29.762 0.111 0.000 1.493 18 H HN 0.181 nan 8.280 nan 0.000 0.533 19 T N 0.554 115.186 114.554 0.129 0.000 2.821 19 T HA -0.133 4.217 4.350 0.000 0.000 0.267 19 T C 2.052 176.767 174.700 0.024 0.000 1.046 19 T CA 1.183 63.311 62.100 0.046 0.000 1.139 19 T CB 0.317 69.193 68.868 0.012 0.000 0.871 19 T HN 0.511 nan 8.240 nan 0.000 0.454 20 Q N 0.021 119.862 119.800 0.068 0.000 2.096 20 Q HA -0.086 4.254 4.340 0.000 0.000 0.204 20 Q C 2.281 178.331 176.000 0.084 0.000 0.982 20 Q CA 1.150 56.987 55.803 0.057 0.000 0.850 20 Q CB -0.165 28.617 28.738 0.074 0.000 0.901 20 Q HN 0.410 nan 8.270 nan 0.000 0.422 21 I N 0.707 121.344 120.570 0.112 0.000 2.202 21 I HA -0.240 3.930 4.170 0.000 0.000 0.242 21 I C 2.281 178.396 176.117 -0.003 0.000 1.091 21 I CA 1.392 62.719 61.300 0.045 0.000 1.368 21 I CB -1.309 36.655 38.000 -0.060 0.000 1.058 21 I HN 0.361 nan 8.210 nan 0.000 0.410 22 E N 1.189 121.263 120.200 -0.210 0.000 2.070 22 E HA -0.284 4.066 4.350 0.000 0.000 0.197 22 E C 1.658 178.023 176.600 -0.392 0.000 1.004 22 E CA 1.935 57.825 56.400 -0.851 0.000 0.805 22 E CB 0.078 29.262 29.700 -0.860 0.000 0.744 22 E HN 0.391 nan 8.360 nan 0.000 0.451 23 D N -0.319 119.976 120.400 -0.176 0.000 2.178 23 D HA -0.160 4.480 4.640 0.000 0.000 0.201 23 D C 1.980 178.266 176.300 -0.024 0.000 0.980 23 D CA 1.199 55.146 54.000 -0.088 0.000 0.842 23 D CB -0.109 40.662 40.800 -0.049 0.000 0.948 23 D HN 0.362 nan 8.370 nan 0.000 0.472 24 M N -0.856 118.764 119.600 0.034 0.000 2.216 24 M HA -0.071 4.409 4.480 0.000 0.000 0.264 24 M C 2.273 178.657 176.300 0.140 0.000 1.080 24 M CA 0.863 56.226 55.300 0.104 0.000 1.153 24 M CB -0.308 32.401 32.600 0.182 0.000 1.356 24 M HN 0.090 nan 8.290 nan 0.000 0.432 25 H N 0.580 119.702 119.070 0.087 0.000 2.357 25 H HA -0.107 4.449 4.556 0.000 0.000 0.301 25 H C 1.941 177.336 175.328 0.111 0.000 1.082 25 H CA 2.235 58.386 56.048 0.172 0.000 1.342 25 H CB 0.045 29.990 29.762 0.304 0.000 1.389 25 H HN 0.420 nan 8.280 nan 0.000 0.511 26 T N -1.753 112.871 114.554 0.117 0.000 2.962 26 T HA -0.013 4.337 4.350 0.000 0.000 0.270 26 T C 2.071 176.783 174.700 0.020 0.000 1.088 26 T CA 1.047 63.188 62.100 0.068 0.000 1.127 26 T CB -0.523 68.324 68.868 -0.035 0.000 0.883 26 T HN 0.102 nan 8.240 nan 0.000 0.493 27 V N 0.667 120.584 119.914 0.005 0.000 2.949 27 V HA 0.348 4.468 4.120 0.000 0.000 0.245 27 V C 2.030 178.122 176.094 -0.003 0.000 1.086 27 V CA 0.714 63.015 62.300 0.002 0.000 1.097 27 V CB -0.511 31.313 31.823 0.002 0.000 0.762 27 V HN 0.682 nan 8.190 nan 0.000 0.470 28 G N -0.656 108.137 108.800 -0.012 0.000 2.508 28 G HA2 0.188 4.148 3.960 0.000 0.000 0.278 28 G HA3 0.188 4.148 3.960 0.000 0.000 0.278 28 G C 0.493 175.370 174.900 -0.039 0.000 1.389 28 G CA -0.378 44.706 45.100 -0.026 0.000 1.050 28 G HN 0.233 nan 8.290 nan 0.000 0.522 29 K N -0.977 119.389 120.400 -0.058 0.000 2.487 29 K HA 0.048 4.368 4.320 0.000 0.000 0.192 29 K C 0.873 177.510 176.600 0.062 0.000 1.027 29 K CA 0.285 56.558 56.287 -0.023 0.000 1.054 29 K CB 0.050 32.525 32.500 -0.042 0.000 0.824 29 K HN 0.544 nan 8.250 nan 0.000 0.510 30 H N -0.895 118.113 119.070 -0.103 0.000 2.505 30 H HA 0.203 4.759 4.556 0.000 0.000 0.286 30 H C 1.499 176.601 175.328 -0.376 0.000 1.072 30 H CA -0.366 55.587 56.048 -0.158 0.000 1.141 30 H CB 0.703 30.406 29.762 -0.099 0.000 1.550 30 H HN 0.180 nan 8.280 nan 0.000 0.547 31 A N 0.705 123.418 122.820 -0.179 0.000 2.024 31 A HA -0.175 4.145 4.320 0.000 0.000 0.220 31 A C 2.366 179.966 177.584 0.027 0.000 1.164 31 A CA 1.986 53.916 52.037 -0.178 0.000 0.643 31 A CB -0.585 18.404 19.000 -0.020 0.000 0.806 31 A HN 0.477 nan 8.150 nan 0.000 0.451 32 T N -3.448 111.129 114.554 0.038 0.000 3.086 32 T HA 0.328 4.678 4.350 0.000 0.000 0.250 32 T C 0.207 174.961 174.700 0.091 0.000 1.074 32 T CA 0.185 62.335 62.100 0.084 0.000 0.988 32 T CB -0.263 68.632 68.868 0.045 0.000 0.988 32 T HN -0.017 nan 8.240 nan 0.000 0.530 33 V N 3.593 123.555 119.914 0.080 0.000 2.389 33 V HA 0.259 4.379 4.120 0.000 0.000 0.264 33 V C 0.587 176.835 176.094 0.256 0.000 1.049 33 V CA -1.205 61.120 62.300 0.043 0.000 0.932 33 V CB 0.430 32.119 31.823 -0.222 0.000 1.011 33 V HN 0.530 nan 8.190 nan 0.000 0.475 34 N N 3.097 121.947 118.700 0.249 0.000 2.508 34 N HA 0.020 4.760 4.740 0.000 0.000 0.264 34 N C 1.209 176.828 175.510 0.180 0.000 1.216 34 N CA -0.349 52.817 53.050 0.194 0.000 0.943 34 N CB 1.423 39.981 38.487 0.118 0.000 1.113 34 N HN 0.774 nan 8.380 nan 0.000 0.447 35 C N 1.714 121.058 119.300 0.074 0.000 2.403 35 C HA -0.104 4.356 4.460 0.000 0.000 0.279 35 C C 2.658 177.704 174.990 0.095 0.000 1.269 35 C CA -0.011 59.073 59.018 0.110 0.000 1.774 35 C CB -1.317 26.438 27.740 0.024 0.000 1.993 35 C HN 0.684 nan 8.230 nan 0.000 0.496 36 V N 0.747 120.665 119.914 0.006 0.000 2.720 36 V HA -0.211 3.909 4.120 0.000 0.000 0.256 36 V C 2.501 178.509 176.094 -0.143 0.000 1.082 36 V CA 1.826 64.083 62.300 -0.073 0.000 1.101 36 V CB -0.863 30.880 31.823 -0.132 0.000 0.693 36 V HN 0.628 nan 8.190 nan 0.000 0.479 37 H N -1.365 117.674 119.070 -0.053 0.000 2.489 37 H HA -0.088 4.468 4.556 0.000 0.000 0.293 37 H C 1.921 177.173 175.328 -0.128 0.000 1.066 37 H CA 1.899 57.894 56.048 -0.089 0.000 1.305 37 H CB 0.082 29.782 29.762 -0.104 0.000 1.386 37 H HN 0.550 nan 8.280 nan 0.000 0.551 38 C N -0.988 118.261 119.300 -0.086 0.000 3.931 38 C HA 0.211 4.671 4.460 0.000 0.000 0.378 38 C C 0.334 175.068 174.990 -0.425 0.000 1.554 38 C CA -0.397 58.449 59.018 -0.286 0.000 1.926 38 C CB 0.445 27.930 27.740 -0.425 0.000 2.837 38 C HN 0.411 nan 8.230 nan 0.000 0.701 39 H N 0.907 119.965 119.070 -0.020 0.000 2.600 39 H HA 0.404 4.960 4.556 0.000 0.000 0.357 39 H C -1.672 173.635 175.328 -0.034 0.000 1.106 39 H CA -0.098 55.930 56.048 -0.033 0.000 1.193 39 H CB 1.785 31.522 29.762 -0.041 0.000 1.594 39 H HN 0.064 nan 8.280 nan 0.000 0.526 40 D N 2.021 122.476 120.400 0.093 0.000 2.461 40 D HA 0.392 5.032 4.640 0.000 0.000 0.240 40 D C -0.181 176.153 176.300 0.056 0.000 1.094 40 D CA -0.500 53.529 54.000 0.048 0.000 0.868 40 D CB 0.650 41.465 40.800 0.024 0.000 1.062 40 D HN 0.629 nan 8.370 nan 0.000 0.530 41 A N 2.953 125.810 122.820 0.062 0.000 2.589 41 A HA 0.192 4.512 4.320 0.000 0.000 0.283 41 A C 1.643 179.284 177.584 0.095 0.000 1.187 41 A CA -0.202 51.894 52.037 0.099 0.000 0.957 41 A CB 0.095 19.169 19.000 0.124 0.000 1.175 41 A HN 0.483 nan 8.150 nan 0.000 0.532 42 T N 0.631 115.214 114.554 0.049 0.000 2.607 42 T HA -0.200 4.150 4.350 0.000 0.000 0.267 42 T C 1.663 176.380 174.700 0.028 0.000 1.049 42 T CA 2.149 64.263 62.100 0.024 0.000 1.162 42 T CB -0.187 68.686 68.868 0.010 0.000 0.863 42 T HN 0.675 nan 8.240 nan 0.000 0.424 43 E N -0.278 119.947 120.200 0.042 0.000 2.150 43 E HA -0.170 4.180 4.350 0.000 0.000 0.193 43 E C 2.113 178.752 176.600 0.065 0.000 0.985 43 E CA 0.974 57.398 56.400 0.040 0.000 0.814 43 E CB -0.204 29.519 29.700 0.038 0.000 0.752 43 E HN 0.572 nan 8.360 nan 0.000 0.466 44 H N 0.908 119.974 119.070 -0.007 0.000 2.290 44 H HA -0.123 4.433 4.556 0.000 0.000 0.298 44 H C 1.943 177.265 175.328 -0.009 0.000 1.087 44 H CA 1.797 57.842 56.048 -0.006 0.000 1.291 44 H CB -0.350 29.410 29.762 -0.003 0.000 1.369 44 H HN -0.056 nan 8.280 nan 0.000 0.492 45 V N 0.913 120.755 119.914 -0.119 0.000 2.490 45 V HA -0.212 3.908 4.120 0.000 0.000 0.250 45 V C 2.092 178.107 176.094 -0.132 0.000 1.061 45 V CA 2.234 64.424 62.300 -0.183 0.000 1.064 45 V CB -0.467 31.302 31.823 -0.090 0.000 0.670 45 V HN 0.541 nan 8.190 nan 0.000 0.461 46 E N 0.006 120.162 120.200 -0.074 0.000 2.347 46 E HA -0.121 4.229 4.350 0.000 0.000 0.196 46 E C 2.009 178.576 176.600 -0.056 0.000 1.008 46 E CA 1.576 57.944 56.400 -0.053 0.000 0.852 46 E CB 0.009 29.693 29.700 -0.027 0.000 0.783 46 E HN 0.840 nan 8.360 nan 0.000 0.505 47 T N -2.954 111.560 114.554 -0.068 0.000 2.966 47 T HA 0.386 4.736 4.350 0.000 0.000 0.254 47 T C 0.775 175.435 174.700 -0.066 0.000 0.961 47 T CA -0.002 62.069 62.100 -0.047 0.000 0.915 47 T CB 0.335 69.197 68.868 -0.011 0.000 1.186 47 T HN 0.082 nan 8.240 nan 0.000 0.505 48 A N 2.266 125.005 122.820 -0.135 0.000 2.406 48 A HA 0.669 4.989 4.320 0.000 0.000 0.243 48 A C 0.760 178.275 177.584 -0.114 0.000 1.082 48 A CA -0.011 51.941 52.037 -0.143 0.000 0.786 48 A CB 0.171 18.971 19.000 -0.333 0.000 1.029 48 A HN 0.805 nan 8.150 nan 0.000 0.495 49 S N -0.319 115.331 115.700 -0.083 0.000 2.801 49 S HA 0.488 4.958 4.470 0.000 0.000 0.312 49 S C 1.023 175.571 174.600 -0.086 0.000 1.112 49 S CA 0.103 58.258 58.200 -0.076 0.000 0.943 49 S CB 0.927 64.097 63.200 -0.051 0.000 1.269 49 S HN 0.698 nan 8.310 nan 0.000 0.558 50 S N 1.181 116.836 115.700 -0.074 0.000 2.387 50 S HA -0.149 4.321 4.470 0.000 0.000 0.230 50 S C 1.681 176.238 174.600 -0.071 0.000 1.035 50 S CA 1.704 59.857 58.200 -0.078 0.000 1.014 50 S CB -0.562 62.604 63.200 -0.056 0.000 0.836 50 S HN 0.820 nan 8.310 nan 0.000 0.466 51 R N -0.520 119.951 120.500 -0.048 0.000 2.541 51 R HA 0.290 4.630 4.340 0.000 0.000 0.332 51 R C -0.351 175.939 176.300 -0.016 0.000 0.951 51 R CA -0.403 55.680 56.100 -0.028 0.000 1.136 51 R CB 0.532 30.820 30.300 -0.020 0.000 1.449 51 R HN 0.028 nan 8.270 nan 0.000 0.531 52 R N 0.958 121.447 120.500 -0.019 0.000 2.562 52 R HA 0.281 4.621 4.340 0.000 0.000 0.298 52 R C 0.373 176.684 176.300 0.019 0.000 0.961 52 R CA -0.642 55.455 56.100 -0.005 0.000 0.881 52 R CB 1.685 31.978 30.300 -0.012 0.000 1.159 52 R HN 0.047 nan 8.270 nan 0.000 0.450 53 M N 1.282 120.911 119.600 0.048 0.000 2.229 53 M HA -0.080 4.400 4.480 0.000 0.000 0.264 53 M C 0.785 177.181 176.300 0.160 0.000 1.063 53 M CA 2.067 57.449 55.300 0.137 0.000 1.114 53 M CB -0.069 32.577 32.600 0.077 0.000 1.387 53 M HN 0.999 nan 8.290 nan 0.000 0.420 54 G N 0.695 109.536 108.800 0.068 0.000 2.566 54 G HA2 -0.255 3.705 3.960 0.000 0.000 0.280 54 G HA3 -0.255 3.705 3.960 0.000 0.000 0.280 54 G C -0.635 174.315 174.900 0.083 0.000 1.225 54 G CA -0.051 45.082 45.100 0.055 0.000 0.966 54 G HN 0.496 nan 8.290 nan 0.000 0.560 55 E N 1.248 121.503 120.200 0.091 0.000 2.384 55 E HA 0.251 4.601 4.350 0.000 0.000 0.266 55 E C 1.031 177.695 176.600 0.108 0.000 1.012 55 E CA -0.179 56.269 56.400 0.080 0.000 0.901 55 E CB 0.747 30.486 29.700 0.065 0.000 0.967 55 E HN 0.549 nan 8.360 nan 0.000 0.435 56 R N 4.007 124.525 120.500 0.029 0.000 2.347 56 R HA 0.147 4.487 4.340 0.000 0.000 0.304 56 R C -1.947 174.316 176.300 -0.062 0.000 1.072 56 R CA -1.212 54.862 56.100 -0.043 0.000 0.980 56 R CB 0.376 30.657 30.300 -0.032 0.000 0.986 56 R HN 0.271 nan 8.270 nan 0.000 0.448 57 P HA 0.024 nan 4.420 nan 0.000 0.274 57 P C -0.779 176.503 177.300 -0.031 0.000 1.237 57 P CA -0.314 62.721 63.100 -0.108 0.000 0.793 57 P CB 0.831 32.379 31.700 -0.253 0.000 0.977 58 V N 1.957 121.885 119.914 0.023 0.000 2.498 58 V HA 0.242 4.362 4.120 0.000 0.000 0.279 58 V C 0.642 176.785 176.094 0.081 0.000 1.048 58 V CA 0.319 62.646 62.300 0.045 0.000 0.967 58 V CB 0.851 32.697 31.823 0.039 0.000 0.988 58 V HN 0.597 nan 8.190 nan 0.000 0.473 59 T N 5.716 120.313 114.554 0.073 0.000 2.809 59 T HA 0.414 4.764 4.350 0.000 0.000 0.284 59 T C -0.048 174.643 174.700 -0.016 0.000 0.992 59 T CA -0.641 61.484 62.100 0.041 0.000 0.957 59 T CB 0.789 69.704 68.868 0.079 0.000 0.942 59 T HN 0.548 nan 8.240 nan 0.000 0.439 60 R N 3.148 123.598 120.500 -0.084 0.000 2.401 60 R HA 0.238 4.578 4.340 0.000 0.000 0.299 60 R C 0.677 176.976 176.300 -0.003 0.000 1.064 60 R CA -0.260 55.818 56.100 -0.036 0.000 1.000 60 R CB 0.420 30.680 30.300 -0.067 0.000 0.973 60 R HN 0.456 nan 8.270 nan 0.000 0.438 61 M N 1.401 121.058 119.600 0.095 0.000 2.308 61 M HA 0.024 4.504 4.480 0.000 0.000 0.269 61 M C -0.045 176.256 176.300 0.003 0.000 1.040 61 M CA 0.129 55.582 55.300 0.254 0.000 1.024 61 M CB -0.348 32.471 32.600 0.365 0.000 1.465 61 M HN 0.582 nan 8.290 nan 0.000 0.517 62 D N 0.798 121.022 120.400 -0.293 0.000 2.372 62 D HA 0.069 4.709 4.640 0.000 0.000 0.243 62 D C 0.797 176.912 176.300 -0.308 0.000 1.121 62 D CA -0.225 53.335 54.000 -0.732 0.000 0.898 62 D CB 1.974 42.487 40.800 -0.479 0.000 1.202 62 D HN -0.009 nan 8.370 nan 0.000 0.428 63 L N 1.438 122.516 121.223 -0.243 0.000 2.291 63 L HA -0.092 4.248 4.340 0.000 0.000 0.214 63 L C 2.366 179.198 176.870 -0.064 0.000 1.120 63 L CA 1.230 56.049 54.840 -0.035 0.000 0.799 63 L CB -0.783 41.365 42.059 0.150 0.000 0.925 63 L HN 0.510 nan 8.230 nan 0.000 0.446 64 E N -0.235 119.849 120.200 -0.193 0.000 2.409 64 E HA -0.140 4.210 4.350 0.000 0.000 0.198 64 E C 2.253 178.712 176.600 -0.236 0.000 1.024 64 E CA 0.687 56.863 56.400 -0.374 0.000 0.861 64 E CB -0.102 29.398 29.700 -0.333 0.000 0.788 64 E HN 0.526 nan 8.360 nan 0.000 0.521 65 A N 0.473 123.206 122.820 -0.144 0.000 1.972 65 A HA -0.194 4.127 4.320 0.000 0.000 0.219 65 A C 2.228 179.762 177.584 -0.083 0.000 1.169 65 A CA 1.131 53.114 52.037 -0.089 0.000 0.635 65 A CB -0.467 18.497 19.000 -0.060 0.000 0.810 65 A HN 0.374 nan 8.150 nan 0.000 0.446 66 C N -1.614 117.647 119.300 -0.066 0.000 2.590 66 C HA 0.415 4.875 4.460 0.000 0.000 0.272 66 C C 3.022 177.977 174.990 -0.059 0.000 1.338 66 C CA -0.048 58.967 59.018 -0.006 0.000 1.746 66 C CB -0.927 26.863 27.740 0.082 0.000 2.020 66 C HN 0.696 nan 8.230 nan 0.000 0.531 67 A N 0.551 123.257 122.820 -0.190 0.000 2.067 67 A HA -0.138 4.183 4.320 0.000 0.000 0.219 67 A C 2.207 179.644 177.584 -0.246 0.000 1.158 67 A CA 2.134 53.992 52.037 -0.298 0.000 0.661 67 A CB -0.886 17.574 19.000 -0.901 0.000 0.801 67 A HN 0.499 nan 8.150 nan 0.000 0.452 68 T N -1.637 112.781 114.554 -0.227 0.000 2.746 68 T HA -0.175 4.175 4.350 0.000 0.000 0.267 68 T C 1.540 176.108 174.700 -0.220 0.000 1.039 68 T CA 2.130 64.116 62.100 -0.190 0.000 1.142 68 T CB -0.446 68.341 68.868 -0.134 0.000 0.866 68 T HN 0.526 nan 8.240 nan 0.000 0.444 69 C N 0.240 119.345 119.300 -0.325 0.000 3.070 69 C HA 0.373 4.833 4.460 0.000 0.000 0.280 69 C C 0.651 175.313 174.990 -0.547 0.000 1.264 69 C CA -0.672 58.066 59.018 -0.468 0.000 1.690 69 C CB -0.644 26.701 27.740 -0.658 0.000 2.049 69 C HN 0.556 nan 8.230 nan 0.000 0.636 70 H N 0.207 119.205 119.070 -0.119 0.000 2.624 70 H HA 0.167 4.723 4.556 0.000 0.000 0.233 70 H C 1.014 176.285 175.328 -0.094 0.000 1.376 70 H CA -0.096 55.885 56.048 -0.113 0.000 1.137 70 H CB -0.077 29.619 29.762 -0.110 0.000 1.867 70 H HN 0.163 nan 8.280 nan 0.000 0.547 71 T N 0.378 114.912 114.554 -0.033 0.000 2.720 71 T HA -0.168 4.182 4.350 0.000 0.000 0.268 71 T C 2.303 177.005 174.700 0.003 0.000 1.037 71 T CA 1.513 63.608 62.100 -0.008 0.000 1.144 71 T CB 0.152 68.991 68.868 -0.048 0.000 0.864 71 T HN 0.559 nan 8.240 nan 0.000 0.444 72 A N 1.288 124.021 122.820 -0.145 0.000 1.877 72 A HA -0.186 4.134 4.320 0.000 0.000 0.216 72 A C 2.312 179.757 177.584 -0.231 0.000 1.186 72 A CA 1.700 53.528 52.037 -0.348 0.000 0.620 72 A CB -0.679 17.805 19.000 -0.861 0.000 0.822 72 A HN 0.431 nan 8.150 nan 0.000 0.443 73 Q N -1.480 118.213 119.800 -0.178 0.000 2.079 73 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 73 Q C 1.787 177.763 176.000 -0.040 0.000 0.974 73 Q CA 1.601 57.299 55.803 -0.175 0.000 0.840 73 Q CB -0.516 27.934 28.738 -0.479 0.000 0.898 73 Q HN 0.738 nan 8.270 nan 0.000 0.430 74 F N 1.270 121.167 119.950 -0.088 0.000 2.075 74 F HA -0.235 4.292 4.527 0.000 0.000 0.297 74 F C 1.597 177.442 175.800 0.075 0.000 1.113 74 F CA 1.402 59.407 58.000 0.008 0.000 1.218 74 F CB -0.168 38.821 39.000 -0.019 0.000 0.984 74 F HN 0.063 nan 8.300 nan 0.000 0.472 75 N N -0.088 118.696 118.700 0.140 0.000 2.166 75 N HA -0.184 4.556 4.740 0.000 0.000 0.186 75 N C 2.159 177.645 175.510 -0.038 0.000 1.019 75 N CA 1.368 54.437 53.050 0.031 0.000 0.856 75 N CB -0.784 37.763 38.487 0.100 0.000 0.993 75 N HN 0.341 nan 8.380 nan 0.000 0.426 76 S N -0.153 115.575 115.700 0.047 0.000 2.356 76 S HA -0.115 4.355 4.470 0.000 0.000 0.223 76 S C 1.797 176.424 174.600 0.045 0.000 1.032 76 S CA 0.788 59.048 58.200 0.101 0.000 1.005 76 S CB -0.449 62.910 63.200 0.266 0.000 0.867 76 S HN 0.362 nan 8.310 nan 0.000 0.449 77 F N 2.715 122.621 119.950 -0.072 0.000 2.134 77 F HA -0.075 4.452 4.527 0.000 0.000 0.299 77 F C 1.972 177.631 175.800 -0.235 0.000 1.097 77 F CA 1.736 59.671 58.000 -0.109 0.000 1.264 77 F CB -0.480 38.440 39.000 -0.135 0.000 1.001 77 F HN 0.165 nan 8.300 nan 0.000 0.479 78 V N -1.407 118.182 119.914 -0.541 0.000 3.461 78 V HA 0.032 4.152 4.120 0.000 0.000 0.267 78 V C 0.772 176.585 176.094 -0.469 0.000 1.186 78 V CA 0.317 62.237 62.300 -0.634 0.000 1.154 78 V CB -1.421 30.048 31.823 -0.590 0.000 0.802 78 V HN 0.319 nan 8.190 nan 0.000 0.474 79 E N 0.852 120.842 120.200 -0.350 0.000 2.502 79 E HA 0.163 4.513 4.350 0.000 0.000 0.261 79 E C -0.705 175.703 176.600 -0.320 0.000 0.974 79 E CA -0.025 56.219 56.400 -0.260 0.000 0.936 79 E CB 0.991 30.585 29.700 -0.177 0.000 0.926 79 E HN 0.403 nan 8.360 nan 0.000 0.459 80 V N 5.852 125.581 119.914 -0.309 0.000 2.370 80 V HA 0.192 4.312 4.120 0.000 0.000 0.279 80 V C 0.395 176.228 176.094 -0.435 0.000 1.029 80 V CA -0.362 61.741 62.300 -0.327 0.000 0.870 80 V CB 1.270 32.940 31.823 -0.254 0.000 0.984 80 V HN 0.620 nan 8.190 nan 0.000 0.451 81 R N 3.006 123.332 120.500 -0.290 0.000 2.325 81 R HA 0.201 4.541 4.340 0.000 0.000 0.323 81 R C 0.762 176.928 176.300 -0.224 0.000 1.177 81 R CA -0.088 55.865 56.100 -0.245 0.000 1.018 81 R CB -0.041 30.154 30.300 -0.175 0.000 1.070 81 R HN 0.819 nan 8.270 nan 0.000 0.495 82 H N 1.731 120.771 119.070 -0.049 0.000 2.457 82 H HA -0.098 4.458 4.556 0.000 0.000 0.294 82 H C 0.891 176.163 175.328 -0.095 0.000 1.064 82 H CA 1.324 57.342 56.048 -0.050 0.000 1.330 82 H CB 0.502 30.246 29.762 -0.030 0.000 1.395 82 H HN 0.627 nan 8.280 nan 0.000 0.541 83 E N 0.268 120.443 120.200 -0.042 0.000 2.418 83 E HA 0.000 4.350 4.350 0.000 0.000 0.197 83 E C 0.267 176.638 176.600 -0.381 0.000 1.026 83 E CA 0.279 56.580 56.400 -0.165 0.000 0.862 83 E CB 0.331 29.956 29.700 -0.126 0.000 0.799 83 E HN 0.111 nan 8.360 nan 0.000 0.518 84 S N 2.111 117.653 115.700 -0.265 0.000 2.494 84 S HA 0.057 4.527 4.470 0.000 0.000 0.312 84 S C -0.477 173.986 174.600 -0.228 0.000 1.121 84 S CA -0.459 57.574 58.200 -0.279 0.000 1.068 84 S CB -0.193 62.906 63.200 -0.168 0.000 1.141 84 S HN 0.234 nan 8.310 nan 0.000 0.527 85 H N 4.616 123.658 119.070 -0.047 0.000 3.125 85 H HA 0.082 4.638 4.556 0.000 0.000 0.310 85 H C -2.069 173.221 175.328 -0.062 0.000 0.980 85 H CA -1.149 54.870 56.048 -0.048 0.000 1.422 85 H CB -0.353 29.380 29.762 -0.047 0.000 1.432 85 H HN 0.376 nan 8.280 nan 0.000 0.577 86 P HA 0.173 nan 4.420 nan 0.000 0.286 86 P C 0.159 177.454 177.300 -0.009 0.000 1.261 86 P CA -0.685 62.391 63.100 -0.041 0.000 0.821 86 P CB 0.980 32.612 31.700 -0.113 0.000 1.013 87 R N -0.205 120.286 120.500 -0.015 0.000 3.502 87 R HA -0.184 4.156 4.340 0.000 0.000 0.266 87 R C -0.722 175.590 176.300 0.021 0.000 1.077 87 R CA 0.261 56.374 56.100 0.021 0.000 0.718 87 R CB -2.278 28.059 30.300 0.062 0.000 1.120 87 R HN 0.384 nan 8.270 nan 0.000 0.457 88 L N 1.389 122.615 121.223 0.005 0.000 2.268 88 L HA 0.343 4.683 4.340 0.000 0.000 0.289 88 L C 0.037 176.890 176.870 -0.028 0.000 1.064 88 L CA -0.399 54.437 54.840 -0.007 0.000 0.824 88 L CB 1.080 43.143 42.059 0.006 0.000 1.202 88 L HN 0.195 nan 8.230 nan 0.000 0.433 89 E N 3.461 123.654 120.200 -0.012 0.000 2.366 89 E HA 0.013 4.363 4.350 0.000 0.000 0.266 89 E C 0.565 177.141 176.600 -0.040 0.000 1.015 89 E CA 0.614 57.010 56.400 -0.006 0.000 0.906 89 E CB 0.779 30.504 29.700 0.042 0.000 0.979 89 E HN 0.572 nan 8.360 nan 0.000 0.443 90 K N 3.219 123.551 120.400 -0.115 0.000 2.217 90 K HA 0.032 4.352 4.320 0.000 0.000 0.202 90 K C 0.778 177.354 176.600 -0.040 0.000 1.051 90 K CA 0.950 57.136 56.287 -0.167 0.000 0.952 90 K CB 0.146 32.385 32.500 -0.435 0.000 0.736 90 K HN 0.502 nan 8.250 nan 0.000 0.453 91 A N 2.323 125.186 122.820 0.072 0.000 2.810 91 A HA 0.037 4.357 4.320 0.000 0.000 0.247 91 A C 0.123 177.790 177.584 0.138 0.000 1.576 91 A CA 0.043 52.206 52.037 0.209 0.000 1.294 91 A CB -0.905 18.310 19.000 0.359 0.000 0.976 91 A HN 0.272 nan 8.150 nan 0.000 0.631 92 T N -4.809 109.798 114.554 0.090 0.000 2.906 92 T HA 0.576 4.926 4.350 0.000 0.000 0.295 92 T C -2.540 172.199 174.700 0.066 0.000 1.061 92 T CA -1.776 60.362 62.100 0.064 0.000 1.000 92 T CB 1.948 70.835 68.868 0.032 0.000 1.103 92 T HN -0.068 nan 8.240 nan 0.000 0.486 93 P HA -0.006 nan 4.420 nan 0.000 0.222 93 P C 1.304 178.639 177.300 0.058 0.000 1.147 93 P CA 1.004 64.140 63.100 0.060 0.000 0.790 93 P CB -0.122 31.602 31.700 0.039 0.000 0.780 94 T N -6.104 108.467 114.554 0.028 0.000 3.086 94 T HA 0.239 4.589 4.350 0.000 0.000 0.250 94 T C 0.925 175.616 174.700 -0.014 0.000 1.074 94 T CA -0.160 61.941 62.100 0.001 0.000 0.988 94 T CB -0.123 68.727 68.868 -0.030 0.000 0.988 94 T HN -0.061 nan 8.240 nan 0.000 0.530 95 S N -0.242 115.465 115.700 0.012 0.000 2.702 95 S HA 0.453 4.923 4.470 0.000 0.000 0.272 95 S C 1.260 175.888 174.600 0.046 0.000 1.068 95 S CA -0.842 57.354 58.200 -0.006 0.000 0.964 95 S CB 0.973 64.158 63.200 -0.025 0.000 1.307 95 S HN 0.065 nan 8.310 nan 0.000 0.567 96 R N 0.786 121.298 120.500 0.020 0.000 2.115 96 R HA 0.150 4.490 4.340 0.000 0.000 0.226 96 R C 0.484 176.891 176.300 0.178 0.000 1.100 96 R CA 0.626 56.771 56.100 0.076 0.000 0.980 96 R CB -0.866 29.415 30.300 -0.031 0.000 0.875 96 R HN 0.393 nan 8.270 nan 0.000 0.445 97 S N 0.373 116.158 115.700 0.141 0.000 2.293 97 S HA 0.327 4.797 4.470 0.000 0.000 0.154 97 S C -2.240 172.518 174.600 0.264 0.000 1.602 97 S CA -1.401 56.956 58.200 0.262 0.000 1.260 97 S CB 1.127 64.491 63.200 0.273 0.000 1.270 97 S HN -0.151 nan 8.310 nan 0.000 0.416 98 P HA -0.049 nan 4.420 nan 0.000 0.217 98 P C 0.819 178.215 177.300 0.159 0.000 1.148 98 P CA 1.192 64.386 63.100 0.156 0.000 0.828 98 P CB 0.119 31.888 31.700 0.116 0.000 0.783 99 M N -3.187 116.517 119.600 0.174 0.000 2.560 99 M HA 0.182 4.662 4.480 0.000 0.000 0.297 99 M C 0.939 177.358 176.300 0.198 0.000 1.201 99 M CA -0.230 55.140 55.300 0.117 0.000 0.973 99 M CB -0.823 31.777 32.600 -0.000 0.000 1.401 99 M HN -0.098 nan 8.290 nan 0.000 0.497 100 F N 2.612 122.662 119.950 0.166 0.000 2.126 100 F HA -0.231 4.296 4.527 0.000 0.000 0.299 100 F C 1.892 177.812 175.800 0.200 0.000 1.096 100 F CA 1.901 60.059 58.000 0.264 0.000 1.255 100 F CB -0.015 39.160 39.000 0.292 0.000 0.997 100 F HN 0.278 nan 8.300 nan 0.000 0.479 101 D N 0.028 120.512 120.400 0.141 0.000 2.117 101 D HA -0.224 4.416 4.640 0.000 0.000 0.197 101 D C 2.272 178.551 176.300 -0.036 0.000 0.987 101 D CA 1.378 55.375 54.000 -0.006 0.000 0.829 101 D CB -0.261 40.558 40.800 0.032 0.000 0.961 101 D HN 0.327 nan 8.370 nan 0.000 0.460 102 K N 0.253 120.662 120.400 0.015 0.000 2.057 102 K HA -0.138 4.182 4.320 0.000 0.000 0.206 102 K C 2.090 178.771 176.600 0.135 0.000 1.050 102 K CA 0.656 56.966 56.287 0.038 0.000 0.935 102 K CB 0.042 32.548 32.500 0.009 0.000 0.715 102 K HN -0.039 nan 8.250 nan 0.000 0.439 103 L N 0.591 121.860 121.223 0.077 0.000 2.156 103 L HA -0.034 4.306 4.340 0.000 0.000 0.208 103 L C 1.922 179.014 176.870 0.370 0.000 1.095 103 L CA 1.064 56.001 54.840 0.161 0.000 0.770 103 L CB -0.196 41.754 42.059 -0.183 0.000 0.914 103 L HN 0.193 nan 8.230 nan 0.000 0.439 104 I N -0.469 120.124 120.570 0.038 0.000 3.883 104 I HA 0.241 4.411 4.170 0.000 0.000 0.326 104 I C 1.086 177.124 176.117 -0.131 0.000 1.283 104 I CA -0.404 60.831 61.300 -0.108 0.000 1.161 104 I CB -0.514 36.987 38.000 -0.831 0.000 1.012 104 I HN 0.026 nan 8.210 nan 0.000 0.421 105 A N 0.411 123.141 122.820 -0.149 0.000 2.566 105 A HA 0.393 4.713 4.320 0.000 0.000 0.245 105 A C 1.554 179.004 177.584 -0.223 0.000 1.056 105 A CA 0.880 52.763 52.037 -0.255 0.000 0.757 105 A CB -0.820 18.000 19.000 -0.300 0.000 0.979 105 A HN 0.928 nan 8.150 nan 0.000 0.508 106 G N 0.912 109.648 108.800 -0.106 0.000 2.238 106 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 106 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 106 G C 0.249 175.149 174.900 -0.001 0.000 0.996 106 G CA 0.307 45.437 45.100 0.049 0.000 0.632 106 G HN 1.204 nan 8.290 nan 0.000 0.503 107 H N 0.844 119.668 119.070 -0.411 0.000 2.479 107 H HA 0.489 5.045 4.556 0.000 0.000 0.335 107 H C 1.664 176.924 175.328 -0.114 0.000 1.142 107 H CA 0.370 56.090 56.048 -0.547 0.000 1.234 107 H CB 1.379 30.430 29.762 -1.185 0.000 1.503 107 H HN 0.148 nan 8.280 nan 0.000 0.510 108 G N 2.876 111.479 108.800 -0.328 0.000 2.479 108 G HA2 -0.270 3.691 3.960 0.000 0.000 0.220 108 G HA3 -0.270 3.691 3.960 0.000 0.000 0.220 108 G C 1.010 176.174 174.900 0.441 0.000 1.115 108 G CA 0.185 45.372 45.100 0.145 0.000 0.757 108 G HN 0.509 nan 8.290 nan 0.000 0.560 109 F N 1.670 121.815 119.950 0.324 0.000 2.451 109 F HA 0.120 4.647 4.527 0.000 0.000 0.299 109 F C 2.809 178.767 175.800 0.265 0.000 1.101 109 F CA 0.046 58.224 58.000 0.296 0.000 1.436 109 F CB -0.343 38.821 39.000 0.274 0.000 1.074 109 F HN 0.241 nan 8.300 nan 0.000 0.553 110 A N -0.644 122.313 122.820 0.228 0.000 2.024 110 A HA -0.195 4.125 4.320 0.000 0.000 0.220 110 A C 1.973 179.503 177.584 -0.089 0.000 1.164 110 A CA 1.361 53.389 52.037 -0.015 0.000 0.643 110 A CB -1.229 17.625 19.000 -0.243 0.000 0.806 110 A HN 0.332 nan 8.150 nan 0.000 0.451 111 F N -0.931 119.084 119.950 0.109 0.000 2.259 111 F HA 0.162 4.689 4.527 0.000 0.000 0.298 111 F C 1.051 176.904 175.800 0.088 0.000 1.088 111 F CA 1.425 59.471 58.000 0.077 0.000 1.358 111 F CB 0.272 39.296 39.000 0.039 0.000 1.040 111 F HN 0.363 nan 8.300 nan 0.000 0.505 112 E N -1.304 119.045 120.200 0.248 0.000 2.745 112 E HA 0.121 4.471 4.350 0.000 0.000 0.306 112 E C -1.877 174.818 176.600 0.159 0.000 1.090 112 E CA -0.535 55.975 56.400 0.184 0.000 0.893 112 E CB 0.563 30.346 29.700 0.139 0.000 1.205 112 E HN 0.017 nan 8.360 nan 0.000 0.438 113 H N 2.470 121.566 119.070 0.044 0.000 3.162 113 H HA 0.638 5.194 4.556 0.000 0.000 0.309 113 H C -1.649 173.659 175.328 -0.032 0.000 1.156 113 H CA 0.326 56.346 56.048 -0.047 0.000 1.586 113 H CB 0.874 30.689 29.762 0.087 0.000 1.740 113 H HN 0.612 nan 8.280 nan 0.000 0.525 114 A N 3.767 126.572 122.820 -0.025 0.000 2.264 114 A HA 0.469 4.789 4.320 0.000 0.000 0.304 114 A C 0.104 177.579 177.584 -0.182 0.000 1.100 114 A CA -0.725 51.254 52.037 -0.097 0.000 0.839 114 A CB 0.651 19.642 19.000 -0.015 0.000 1.121 114 A HN 0.796 nan 8.150 nan 0.000 0.496 115 E N 1.328 121.439 120.200 -0.147 0.000 2.418 115 E HA 0.213 4.563 4.350 0.000 0.000 0.261 115 E C -2.022 174.542 176.600 -0.061 0.000 1.070 115 E CA -1.168 55.160 56.400 -0.120 0.000 0.931 115 E CB 0.105 29.759 29.700 -0.075 0.000 0.954 115 E HN 0.486 nan 8.360 nan 0.000 0.439 116 P HA 0.063 nan 4.420 nan 0.000 0.274 116 P C -0.763 176.513 177.300 -0.039 0.000 1.231 116 P CA 0.051 63.137 63.100 -0.022 0.000 0.790 116 P CB 0.897 32.590 31.700 -0.012 0.000 0.951 117 R N -0.346 120.141 120.500 -0.021 0.000 3.150 117 R HA 0.623 4.963 4.340 0.000 0.000 0.236 117 R C -0.279 176.018 176.300 -0.004 0.000 1.469 117 R CA -0.966 55.119 56.100 -0.025 0.000 1.045 117 R CB -0.217 30.064 30.300 -0.031 0.000 1.481 117 R HN 0.217 nan 8.270 nan 0.000 0.506 118 S N 0.158 115.881 115.700 0.040 0.000 2.563 118 S HA -0.019 4.451 4.470 0.000 0.000 0.284 118 S C 0.817 175.393 174.600 -0.040 0.000 1.331 118 S CA -0.214 57.944 58.200 -0.071 0.000 1.047 118 S CB 0.118 63.263 63.200 -0.090 0.000 0.859 118 S HN 0.610 nan 8.310 nan 0.000 0.514 119 H N 1.653 120.607 119.070 -0.193 0.000 2.426 119 H HA -0.170 4.386 4.556 0.000 0.000 0.298 119 H C 2.266 177.442 175.328 -0.254 0.000 1.107 119 H CA 0.979 56.923 56.048 -0.173 0.000 1.298 119 H CB -0.046 29.649 29.762 -0.112 0.000 1.377 119 H HN 0.750 nan 8.280 nan 0.000 0.519 120 A N 0.677 123.239 122.820 -0.430 0.000 1.986 120 A HA -0.200 4.120 4.320 0.000 0.000 0.220 120 A C 1.431 178.758 177.584 -0.429 0.000 1.171 120 A CA 1.476 53.187 52.037 -0.543 0.000 0.640 120 A CB -0.632 17.844 19.000 -0.873 0.000 0.811 120 A HN 0.351 nan 8.150 nan 0.000 0.451 121 F N -0.116 119.796 119.950 -0.064 0.000 2.765 121 F HA 0.146 4.673 4.527 0.000 0.000 0.302 121 F C 2.141 177.909 175.800 -0.052 0.000 1.111 121 F CA 0.467 58.449 58.000 -0.029 0.000 1.359 121 F CB -0.604 38.395 39.000 -0.002 0.000 1.097 121 F HN 0.339 nan 8.300 nan 0.000 0.577 122 M N -1.297 118.339 119.600 0.060 0.000 2.159 122 M HA -0.135 4.345 4.480 0.000 0.000 0.263 122 M C 1.922 178.149 176.300 -0.122 0.000 1.063 122 M CA 1.867 57.161 55.300 -0.010 0.000 1.110 122 M CB -0.643 31.931 32.600 -0.043 0.000 1.374 122 M HN 0.252 nan 8.290 nan 0.000 0.411 123 L N 1.607 122.702 121.223 -0.214 0.000 2.095 123 L HA -0.031 4.309 4.340 0.000 0.000 0.204 123 L C 2.594 179.125 176.870 -0.565 0.000 1.080 123 L CA 1.482 56.041 54.840 -0.468 0.000 0.759 123 L CB -0.548 41.224 42.059 -0.479 0.000 0.914 123 L HN 0.390 nan 8.230 nan 0.000 0.439 124 V N -3.196 116.539 119.914 -0.297 0.000 2.407 124 V HA -0.192 3.928 4.120 0.000 0.000 0.248 124 V C 2.088 178.064 176.094 -0.196 0.000 1.055 124 V CA 1.929 64.071 62.300 -0.265 0.000 1.049 124 V CB -1.121 30.613 31.823 -0.149 0.000 0.662 124 V HN 0.347 nan 8.190 nan 0.000 0.455 125 D N 0.148 120.523 120.400 -0.042 0.000 2.117 125 D HA -0.157 4.483 4.640 0.000 0.000 0.198 125 D C 2.032 178.320 176.300 -0.019 0.000 0.982 125 D CA 2.099 56.104 54.000 0.007 0.000 0.828 125 D CB -0.467 40.371 40.800 0.065 0.000 0.967 125 D HN 0.806 nan 8.370 nan 0.000 0.464 126 H N -0.150 118.829 119.070 -0.151 0.000 2.319 126 H HA -0.154 4.402 4.556 0.000 0.000 0.299 126 H C 1.750 177.123 175.328 0.075 0.000 1.092 126 H CA 1.597 57.575 56.048 -0.115 0.000 1.302 126 H CB -0.361 29.233 29.762 -0.279 0.000 1.373 126 H HN -0.002 nan 8.280 nan 0.000 0.497 127 F N 0.124 119.980 119.950 -0.156 0.000 2.186 127 F HA -0.089 4.438 4.527 0.000 0.000 0.299 127 F C 2.688 178.456 175.800 -0.054 0.000 1.090 127 F CA 1.336 59.202 58.000 -0.224 0.000 1.307 127 F CB -0.816 37.860 39.000 -0.539 0.000 1.019 127 F HN 0.325 nan 8.300 nan 0.000 0.489 128 V N -2.973 116.959 119.914 0.030 0.000 3.590 128 V HA 0.210 4.330 4.120 0.000 0.000 0.265 128 V C 0.938 177.047 176.094 0.025 0.000 1.239 128 V CA -0.141 62.145 62.300 -0.024 0.000 1.117 128 V CB -0.634 31.052 31.823 -0.227 0.000 0.818 128 V HN -0.069 nan 8.190 nan 0.000 0.451 129 V N 2.429 122.362 119.914 0.031 0.000 2.901 129 V HA 0.038 4.158 4.120 0.000 0.000 0.307 129 V C 1.556 177.675 176.094 0.042 0.000 1.084 129 V CA 0.881 63.200 62.300 0.032 0.000 1.184 129 V CB 0.947 32.770 31.823 0.001 0.000 0.941 129 V HN 0.559 nan 8.190 nan 0.000 0.493 130 D N 3.966 124.403 120.400 0.061 0.000 2.263 130 D HA -0.127 4.513 4.640 0.000 0.000 0.208 130 D C 1.943 178.262 176.300 0.032 0.000 0.971 130 D CA 1.495 55.538 54.000 0.073 0.000 0.867 130 D CB 0.013 40.893 40.800 0.133 0.000 0.929 130 D HN 0.810 nan 8.370 nan 0.000 0.492 131 R N -0.066 120.444 120.500 0.017 0.000 2.297 131 R HA 0.343 4.683 4.340 0.000 0.000 0.197 131 R C 1.561 177.796 176.300 -0.108 0.000 0.943 131 R CA 0.617 56.702 56.100 -0.026 0.000 1.038 131 R CB 0.211 30.511 30.300 -0.000 0.000 0.957 131 R HN 0.005 nan 8.270 nan 0.000 0.484 132 A N 0.530 123.286 122.820 -0.107 0.000 1.909 132 A HA 0.149 4.469 4.320 0.000 0.000 0.209 132 A C 0.462 177.792 177.584 -0.424 0.000 1.247 132 A CA 0.309 52.195 52.037 -0.251 0.000 0.660 132 A CB 0.061 18.936 19.000 -0.209 0.000 0.910 132 A HN 0.379 nan 8.150 nan 0.000 0.465 133 Y N -0.749 119.514 120.300 -0.063 0.000 2.721 133 Y HA 0.430 4.980 4.550 0.000 0.000 0.251 133 Y C 1.316 177.163 175.900 -0.088 0.000 1.136 133 Y CA -0.193 57.857 58.100 -0.083 0.000 1.142 133 Y CB 0.570 38.941 38.460 -0.147 0.000 1.212 133 Y HN 0.462 nan 8.280 nan 0.000 0.565 134 G N 0.325 109.138 108.800 0.021 0.000 2.203 134 G HA2 -0.145 3.815 3.960 0.000 0.000 0.263 134 G HA3 -0.145 3.815 3.960 0.000 0.000 0.263 134 G C 1.235 176.208 174.900 0.120 0.000 1.012 134 G CA 0.511 45.632 45.100 0.036 0.000 0.749 134 G HN 1.284 nan 8.290 nan 0.000 0.512 135 G N -0.912 107.922 108.800 0.057 0.000 2.148 135 G HA2 -0.357 3.603 3.960 0.000 0.000 0.254 135 G HA3 -0.357 3.603 3.960 0.000 0.000 0.254 135 G C 1.154 175.976 174.900 -0.130 0.000 0.981 135 G CA 1.404 46.517 45.100 0.021 0.000 0.670 135 G HN 1.207 nan 8.290 nan 0.000 0.528 136 R N -0.753 119.571 120.500 -0.293 0.000 2.081 136 R HA 0.087 4.428 4.340 0.000 0.000 0.235 136 R C 0.484 176.351 176.300 -0.723 0.000 1.131 136 R CA 1.208 56.784 56.100 -0.873 0.000 0.960 136 R CB -0.149 29.532 30.300 -1.031 0.000 0.856 136 R HN 0.321 nan 8.270 nan 0.000 0.436 137 F N 1.012 120.814 119.950 -0.247 0.000 2.421 137 F HA 0.434 4.961 4.527 0.000 0.000 0.337 137 F C 0.031 175.685 175.800 -0.242 0.000 1.105 137 F CA -0.659 57.193 58.000 -0.247 0.000 1.049 137 F CB 1.547 40.370 39.000 -0.295 0.000 1.139 137 F HN -0.033 nan 8.300 nan 0.000 0.479 138 Q N 1.668 121.429 119.800 -0.065 0.000 2.456 138 Q HA 0.382 4.722 4.340 0.000 0.000 0.284 138 Q C -1.128 174.724 176.000 -0.247 0.000 1.061 138 Q CA -0.956 54.735 55.803 -0.186 0.000 0.799 138 Q CB 2.582 31.227 28.738 -0.155 0.000 1.445 138 Q HN 0.435 nan 8.270 nan 0.000 0.411 139 F N 1.458 121.277 119.950 -0.219 0.000 2.553 139 F HA 0.016 4.543 4.527 0.000 0.000 0.356 139 F C 1.899 177.586 175.800 -0.188 0.000 1.142 139 F CA 0.564 58.442 58.000 -0.204 0.000 1.322 139 F CB 0.451 39.298 39.000 -0.254 0.000 1.126 139 F HN 0.435 nan 8.300 nan 0.000 0.599 140 K N 0.902 121.356 120.400 0.090 0.000 2.113 140 K HA -0.205 4.115 4.320 0.000 0.000 0.208 140 K C 0.009 176.614 176.600 0.009 0.000 1.047 140 K CA 1.882 58.191 56.287 0.037 0.000 0.928 140 K CB -0.299 32.235 32.500 0.057 0.000 0.716 140 K HN 0.791 nan 8.250 nan 0.000 0.446 141 N N -3.296 115.407 118.700 0.006 0.000 3.020 141 N HA 0.067 4.807 4.740 0.000 0.000 0.248 141 N C -0.661 174.811 175.510 -0.064 0.000 1.480 141 N CA -0.864 52.174 53.050 -0.020 0.000 0.874 141 N CB -0.317 38.208 38.487 0.063 0.000 1.433 141 N HN -0.123 nan 8.380 nan 0.000 0.530 142 W N -0.215 121.093 121.300 0.013 0.000 2.611 142 W HA 0.091 4.751 4.660 0.000 0.000 0.251 142 W C 1.595 178.052 176.519 -0.104 0.000 1.265 142 W CA 0.352 57.672 57.345 -0.042 0.000 1.295 142 W CB -0.151 29.292 29.460 -0.028 0.000 1.129 142 W HN 0.573 nan 8.180 nan 0.000 0.630 143 Q N 0.287 120.144 119.800 0.096 0.000 2.172 143 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 143 Q C 1.972 177.932 176.000 -0.066 0.000 0.964 143 Q CA 0.791 56.606 55.803 0.019 0.000 0.855 143 Q CB -0.256 28.502 28.738 0.033 0.000 0.918 143 Q HN 0.079 nan 8.270 nan 0.000 0.444 144 K N 0.790 121.125 120.400 -0.109 0.000 2.362 144 K HA -0.080 4.240 4.320 0.000 0.000 0.200 144 K C 2.112 178.447 176.600 -0.442 0.000 1.046 144 K CA 0.972 57.173 56.287 -0.143 0.000 0.952 144 K CB -0.503 32.014 32.500 0.029 0.000 0.753 144 K HN 0.301 nan 8.250 nan 0.000 0.466 145 V N 0.007 119.489 119.914 -0.720 0.000 2.828 145 V HA -0.180 3.940 4.120 0.000 0.000 0.260 145 V C 2.001 177.811 176.094 -0.472 0.000 1.101 145 V CA 2.216 63.951 62.300 -0.943 0.000 1.123 145 V CB -1.476 29.959 31.823 -0.648 0.000 0.704 145 V HN 0.340 nan 8.190 nan 0.000 0.493 146 T N -3.545 110.904 114.554 -0.176 0.000 3.081 146 T HA 0.059 4.409 4.350 0.000 0.000 0.255 146 T C 0.824 175.678 174.700 0.257 0.000 1.113 146 T CA 0.630 62.758 62.100 0.046 0.000 1.082 146 T CB -0.322 68.569 68.868 0.038 0.000 0.939 146 T HN 0.474 nan 8.240 nan 0.000 0.506 147 D N 1.592 122.128 120.400 0.227 0.000 2.522 147 D HA 0.397 5.037 4.640 0.000 0.000 0.218 147 D C 1.449 177.841 176.300 0.152 0.000 1.149 147 D CA -0.247 53.860 54.000 0.179 0.000 0.981 147 D CB 0.379 41.243 40.800 0.107 0.000 1.041 147 D HN 0.291 nan 8.370 nan 0.000 0.518 148 G N 2.647 111.422 108.800 -0.042 0.000 2.433 148 G HA2 -0.298 3.662 3.960 0.000 0.000 0.216 148 G HA3 -0.298 3.662 3.960 0.000 0.000 0.216 148 G C 1.346 176.059 174.900 -0.312 0.000 1.186 148 G CA 0.683 45.433 45.100 -0.583 0.000 0.779 148 G HN 0.460 nan 8.290 nan 0.000 0.543 149 M N 1.755 121.269 119.600 -0.144 0.000 2.108 149 M HA 0.074 4.554 4.480 0.000 0.000 0.261 149 M C 2.454 178.761 176.300 0.011 0.000 1.066 149 M CA 1.981 57.255 55.300 -0.043 0.000 1.107 149 M CB -0.885 31.727 32.600 0.021 0.000 1.356 149 M HN 0.143 nan 8.290 nan 0.000 0.406 150 G N -0.896 107.916 108.800 0.020 0.000 2.421 150 G HA2 -0.133 3.827 3.960 0.000 0.000 0.216 150 G HA3 -0.133 3.827 3.960 0.000 0.000 0.216 150 G C 1.573 176.496 174.900 0.039 0.000 1.171 150 G CA 1.113 46.242 45.100 0.049 0.000 0.775 150 G HN 0.690 nan 8.290 nan 0.000 0.543 151 A N 0.105 122.935 122.820 0.017 0.000 1.908 151 A HA 0.035 4.355 4.320 0.000 0.000 0.218 151 A C 2.614 180.184 177.584 -0.023 0.000 1.181 151 A CA 1.918 53.952 52.037 -0.006 0.000 0.627 151 A CB -0.707 18.289 19.000 -0.007 0.000 0.818 151 A HN 0.276 nan 8.150 nan 0.000 0.445 152 V N -0.110 119.792 119.914 -0.021 0.000 2.343 152 V HA -0.264 3.856 4.120 0.000 0.000 0.247 152 V C 2.639 178.851 176.094 0.197 0.000 1.051 152 V CA 2.313 64.659 62.300 0.077 0.000 1.036 152 V CB -0.785 31.075 31.823 0.062 0.000 0.654 152 V HN 0.655 nan 8.190 nan 0.000 0.451 153 R N 0.200 120.795 120.500 0.158 0.000 2.096 153 R HA 0.033 4.373 4.340 0.000 0.000 0.235 153 R C 0.796 177.215 176.300 0.198 0.000 1.127 153 R CA 1.307 57.516 56.100 0.182 0.000 0.968 153 R CB -0.001 30.370 30.300 0.117 0.000 0.861 153 R HN 0.585 nan 8.270 nan 0.000 0.440 154 G N -2.878 105.968 108.800 0.076 0.000 2.318 154 G HA2 0.322 4.282 3.960 0.000 0.000 0.306 154 G HA3 0.322 4.282 3.960 0.000 0.000 0.306 154 G C -0.092 174.715 174.900 -0.155 0.000 1.696 154 G CA -0.255 44.806 45.100 -0.066 0.000 0.905 154 G HN 0.136 nan 8.290 nan 0.000 0.700 155 A N 0.636 123.251 122.820 -0.342 0.000 1.917 155 A HA -0.066 4.255 4.320 0.000 0.000 0.219 155 A C 1.790 178.972 177.584 -0.670 0.000 1.182 155 A CA 2.131 53.822 52.037 -0.576 0.000 0.633 155 A CB -0.593 17.916 19.000 -0.819 0.000 0.819 155 A HN 0.956 nan 8.150 nan 0.000 0.448 156 W N 0.221 121.441 121.300 -0.133 0.000 3.077 156 W HA 0.054 4.714 4.660 0.000 0.000 0.245 156 W C 2.319 178.787 176.519 -0.084 0.000 1.316 156 W CA 0.869 58.120 57.345 -0.157 0.000 1.537 156 W CB -0.329 29.016 29.460 -0.191 0.000 1.131 156 W HN 0.495 nan 8.180 nan 0.000 0.695 157 T N -2.676 111.910 114.554 0.054 0.000 3.055 157 T HA -0.091 4.259 4.350 0.000 0.000 0.265 157 T C 1.412 176.145 174.700 0.054 0.000 1.111 157 T CA 1.316 63.452 62.100 0.061 0.000 1.118 157 T CB -0.483 68.418 68.868 0.054 0.000 0.909 157 T HN 0.101 nan 8.240 nan 0.000 0.501 158 V N -2.407 117.522 119.914 0.025 0.000 3.502 158 V HA 0.542 4.662 4.120 0.000 0.000 0.288 158 V C 0.268 176.394 176.094 0.053 0.000 1.461 158 V CA -0.617 61.735 62.300 0.087 0.000 1.029 158 V CB -0.283 31.654 31.823 0.190 0.000 0.843 158 V HN 0.340 nan 8.190 nan 0.000 0.438 159 L N 1.673 122.854 121.223 -0.070 0.000 2.319 159 L HA 0.793 5.133 4.340 0.000 0.000 0.267 159 L C 0.254 177.164 176.870 0.067 0.000 1.011 159 L CA -0.164 54.597 54.840 -0.132 0.000 0.818 159 L CB 2.230 44.022 42.059 -0.445 0.000 1.316 159 L HN 0.354 nan 8.230 nan 0.000 0.432 160 T N -3.223 111.367 114.554 0.060 0.000 2.942 160 T HA 0.462 4.812 4.350 0.000 0.000 0.289 160 T C -1.018 173.779 174.700 0.161 0.000 1.044 160 T CA -0.771 61.382 62.100 0.089 0.000 1.023 160 T CB 2.426 71.301 68.868 0.012 0.000 1.123 160 T HN 0.461 nan 8.240 nan 0.000 0.512 161 D N -0.074 120.372 120.400 0.077 0.000 2.408 161 D HA 0.536 5.176 4.640 0.000 0.000 0.243 161 D C 1.015 177.206 176.300 -0.182 0.000 1.075 161 D CA -0.687 53.326 54.000 0.022 0.000 0.832 161 D CB 1.739 42.532 40.800 -0.012 0.000 1.162 161 D HN 0.667 nan 8.370 nan 0.000 0.515 162 A N 3.628 126.202 122.820 -0.410 0.000 2.019 162 A HA -0.070 4.250 4.320 0.000 0.000 0.219 162 A C 0.765 178.171 177.584 -0.296 0.000 1.164 162 A CA 1.152 52.916 52.037 -0.454 0.000 0.644 162 A CB 0.037 18.510 19.000 -0.879 0.000 0.805 162 A HN 0.500 nan 8.150 nan 0.000 0.449 163 D N -2.760 117.469 120.400 -0.286 0.000 2.411 163 D HA 0.326 4.966 4.640 0.000 0.000 0.239 163 D C -2.483 173.782 176.300 -0.058 0.000 1.307 163 D CA -1.505 52.459 54.000 -0.060 0.000 0.930 163 D CB 1.021 41.914 40.800 0.155 0.000 1.395 163 D HN -0.099 nan 8.370 nan 0.000 0.536 164 P HA -0.077 nan 4.420 nan 0.000 0.223 164 P C 0.763 178.041 177.300 -0.035 0.000 1.144 164 P CA 0.780 63.837 63.100 -0.072 0.000 0.783 164 P CB 0.428 32.080 31.700 -0.080 0.000 0.771 165 E N -0.719 119.476 120.200 -0.008 0.000 2.478 165 E HA 0.056 4.406 4.350 0.000 0.000 0.194 165 E C 0.776 177.390 176.600 0.023 0.000 1.045 165 E CA 0.421 56.825 56.400 0.007 0.000 0.868 165 E CB -0.085 29.621 29.700 0.011 0.000 0.885 165 E HN 0.332 nan 8.360 nan 0.000 0.505 166 S N -0.361 115.362 115.700 0.038 0.000 2.600 166 S HA 0.496 4.966 4.470 0.000 0.000 0.300 166 S C 0.489 175.124 174.600 0.059 0.000 1.087 166 S CA -0.396 57.837 58.200 0.054 0.000 0.965 166 S CB 1.967 65.211 63.200 0.074 0.000 1.089 166 S HN -0.049 nan 8.310 nan 0.000 0.496 167 S N -0.937 114.804 115.700 0.067 0.000 2.780 167 S HA 0.204 4.674 4.470 0.000 0.000 0.248 167 S C -0.256 174.403 174.600 0.098 0.000 1.036 167 S CA -0.562 57.689 58.200 0.085 0.000 1.061 167 S CB -0.514 62.743 63.200 0.095 0.000 1.037 167 S HN 0.856 nan 8.310 nan 0.000 0.584 168 D N 1.352 121.799 120.400 0.080 0.000 2.264 168 D HA 0.126 4.766 4.640 0.000 0.000 0.249 168 D C -0.437 175.909 176.300 0.076 0.000 1.070 168 D CA -0.349 53.691 54.000 0.066 0.000 0.912 168 D CB 0.634 41.451 40.800 0.028 0.000 1.193 168 D HN 0.021 nan 8.370 nan 0.000 0.427 169 Q N 1.289 121.128 119.800 0.066 0.000 2.281 169 Q HA 0.168 4.508 4.340 0.000 0.000 0.267 169 Q C 0.193 176.189 176.000 -0.007 0.000 1.053 169 Q CA 0.297 56.133 55.803 0.054 0.000 0.905 169 Q CB 0.962 29.716 28.738 0.028 0.000 1.195 169 Q HN 0.623 nan 8.270 nan 0.000 0.398 170 R N 1.023 121.510 120.500 -0.020 0.000 2.752 170 R HA 0.568 4.908 4.340 0.000 0.000 0.271 170 R C -0.923 175.267 176.300 -0.184 0.000 1.026 170 R CA -0.987 55.021 56.100 -0.154 0.000 0.901 170 R CB 1.437 31.573 30.300 -0.274 0.000 1.243 170 R HN 0.281 nan 8.270 nan 0.000 0.463 171 R N 0.940 121.300 120.500 -0.233 0.000 2.234 171 R HA 0.248 4.588 4.340 0.000 0.000 0.324 171 R C -0.328 175.804 176.300 -0.281 0.000 1.054 171 R CA -0.191 55.811 56.100 -0.162 0.000 0.912 171 R CB 0.437 30.656 30.300 -0.135 0.000 1.030 171 R HN 0.509 nan 8.270 nan 0.000 0.455 172 F N 1.594 121.500 119.950 -0.073 0.000 2.656 172 F HA 0.187 4.714 4.527 0.000 0.000 0.291 172 F C 0.638 176.420 175.800 -0.031 0.000 1.122 172 F CA 0.192 58.158 58.000 -0.056 0.000 1.427 172 F CB 0.439 39.395 39.000 -0.074 0.000 1.125 172 F HN 0.173 nan 8.300 nan 0.000 0.583 173 L N -0.630 120.674 121.223 0.136 0.000 2.354 173 L HA 0.299 4.639 4.340 0.000 0.000 0.269 173 L C 1.447 178.347 176.870 0.051 0.000 1.005 173 L CA -0.542 54.352 54.840 0.090 0.000 0.819 173 L CB 1.974 44.093 42.059 0.099 0.000 1.311 173 L HN -0.063 nan 8.230 nan 0.000 0.423 174 S N 0.592 116.326 115.700 0.056 0.000 2.368 174 S HA -0.124 4.346 4.470 0.000 0.000 0.225 174 S C 0.855 175.508 174.600 0.089 0.000 1.030 174 S CA 0.797 59.029 58.200 0.053 0.000 0.999 174 S CB -0.074 63.163 63.200 0.062 0.000 0.844 174 S HN 0.656 nan 8.310 nan 0.000 0.459 175 Q N 2.714 122.598 119.800 0.140 0.000 3.035 175 Q HA 0.358 4.698 4.340 0.000 0.000 0.354 175 Q C -0.187 175.974 176.000 0.268 0.000 1.247 175 Q CA 0.013 55.988 55.803 0.286 0.000 1.068 175 Q CB 0.364 29.263 28.738 0.268 0.000 1.424 175 Q HN 0.803 nan 8.270 nan 0.000 0.486 176 T N -3.061 111.461 114.554 -0.053 0.000 2.887 176 T HA 0.927 5.277 4.350 0.000 0.000 0.292 176 T C -0.493 173.729 174.700 -0.796 0.000 1.087 176 T CA -0.842 61.112 62.100 -0.244 0.000 1.009 176 T CB 2.310 71.125 68.868 -0.088 0.000 1.203 176 T HN 0.185 nan 8.240 nan 0.000 0.518 177 A N 0.410 122.841 122.820 -0.649 0.000 2.485 177 A HA 0.847 5.167 4.320 0.000 0.000 0.292 177 A C 0.243 177.653 177.584 -0.290 0.000 1.147 177 A CA -0.609 51.062 52.037 -0.610 0.000 0.750 177 A CB 1.288 19.910 19.000 -0.630 0.000 1.331 177 A HN 1.376 nan 8.150 nan 0.000 0.419 178 T N -2.267 112.149 114.554 -0.230 0.000 3.438 178 T HA 0.517 4.867 4.350 0.000 0.000 0.244 178 T C 0.652 175.250 174.700 -0.169 0.000 1.269 178 T CA 0.451 62.443 62.100 -0.180 0.000 1.371 178 T CB 0.333 69.128 68.868 -0.123 0.000 1.002 178 T HN 1.150 nan 8.240 nan 0.000 0.637 179 A N 1.048 123.769 122.820 -0.165 0.000 2.119 179 A HA 0.659 4.979 4.320 0.000 0.000 0.216 179 A C 1.604 179.137 177.584 -0.085 0.000 1.152 179 A CA 0.293 52.276 52.037 -0.090 0.000 0.708 179 A CB -0.587 18.399 19.000 -0.023 0.000 0.805 179 A HN 0.962 nan 8.150 nan 0.000 0.460 180 A N 0.836 123.507 122.820 -0.249 0.000 2.483 180 A HA 0.458 4.778 4.320 0.000 0.000 0.238 180 A C 0.201 177.746 177.584 -0.065 0.000 1.070 180 A CA 0.370 52.273 52.037 -0.225 0.000 0.770 180 A CB -0.227 18.269 19.000 -0.840 0.000 1.008 180 A HN 0.835 nan 8.150 nan 0.000 0.497 181 N N 0.164 118.924 118.700 0.101 0.000 2.853 181 N HA 0.563 5.304 4.740 0.000 0.000 0.258 181 N C -2.921 172.739 175.510 0.250 0.000 1.444 181 N CA -1.595 51.553 53.050 0.164 0.000 0.837 181 N CB 0.944 39.517 38.487 0.144 0.000 1.489 181 N HN 0.063 nan 8.380 nan 0.000 0.529 182 P HA -0.068 nan 4.420 nan 0.000 0.220 182 P C 1.040 178.481 177.300 0.236 0.000 1.148 182 P CA 0.608 63.940 63.100 0.387 0.000 0.803 182 P CB 0.231 32.109 31.700 0.297 0.000 0.782 183 V N -0.606 119.455 119.914 0.245 0.000 2.407 183 V HA -0.282 3.838 4.120 0.000 0.000 0.248 183 V C 2.422 178.521 176.094 0.008 0.000 1.055 183 V CA 1.839 64.239 62.300 0.167 0.000 1.049 183 V CB -1.577 30.400 31.823 0.257 0.000 0.662 183 V HN 0.223 nan 8.190 nan 0.000 0.455 184 C N -0.094 119.227 119.300 0.035 0.000 2.385 184 C HA -0.210 4.250 4.460 0.000 0.000 0.275 184 C C 2.571 177.371 174.990 -0.316 0.000 1.199 184 C CA 0.692 59.657 59.018 -0.089 0.000 1.782 184 C CB -1.306 26.438 27.740 0.006 0.000 2.068 184 C HN 0.454 nan 8.230 nan 0.000 0.471 185 L N 1.363 122.376 121.223 -0.349 0.000 2.275 185 L HA -0.073 4.267 4.340 0.000 0.000 0.215 185 L C 2.162 178.792 176.870 -0.400 0.000 1.119 185 L CA 1.517 56.047 54.840 -0.518 0.000 0.790 185 L CB -1.470 40.204 42.059 -0.642 0.000 0.919 185 L HN 0.524 nan 8.230 nan 0.000 0.443 186 N N -0.662 117.839 118.700 -0.332 0.000 2.364 186 N HA -0.146 4.594 4.740 0.000 0.000 0.183 186 N C 1.337 176.746 175.510 -0.167 0.000 1.022 186 N CA 1.100 54.038 53.050 -0.187 0.000 0.883 186 N CB 0.137 38.498 38.487 -0.209 0.000 0.965 186 N HN 0.363 nan 8.380 nan 0.000 0.438 187 C N 0.492 119.652 119.300 -0.234 0.000 2.780 187 C HA 0.283 4.743 4.460 0.000 0.000 0.287 187 C C 1.557 176.374 174.990 -0.288 0.000 1.288 187 C CA -0.355 58.513 59.018 -0.250 0.000 1.713 187 C CB -0.289 27.270 27.740 -0.301 0.000 1.955 187 C HN 0.236 nan 8.230 nan 0.000 0.613 188 K N -0.303 119.910 120.400 -0.311 0.000 2.474 188 K HA 0.230 4.550 4.320 0.000 0.000 0.202 188 K C 0.543 176.978 176.600 -0.275 0.000 1.248 188 K CA 0.623 56.709 56.287 -0.335 0.000 0.946 188 K CB 0.601 32.801 32.500 -0.501 0.000 1.102 188 K HN 0.340 nan 8.250 nan 0.000 0.541 189 T N -0.170 114.252 114.554 -0.219 0.000 2.830 189 T HA 0.253 4.603 4.350 0.000 0.000 0.322 189 T C -1.393 173.285 174.700 -0.037 0.000 1.501 189 T CA -0.360 61.656 62.100 -0.141 0.000 1.036 189 T CB 1.307 70.093 68.868 -0.137 0.000 1.379 189 T HN -0.156 nan 8.240 nan 0.000 0.493 190 Q N 1.685 121.443 119.800 -0.070 0.000 2.129 190 Q HA 0.189 4.529 4.340 0.000 0.000 0.274 190 Q C 0.056 176.103 176.000 0.079 0.000 0.854 190 Q CA -0.187 55.550 55.803 -0.111 0.000 1.123 190 Q CB 0.869 29.580 28.738 -0.045 0.000 1.226 190 Q HN 0.641 nan 8.270 nan 0.000 0.454 191 D N 0.502 121.015 120.400 0.189 0.000 2.228 191 D HA -0.166 4.474 4.640 0.000 0.000 0.203 191 D C 1.446 177.912 176.300 0.276 0.000 0.988 191 D CA 1.285 55.447 54.000 0.271 0.000 0.864 191 D CB 0.097 41.029 40.800 0.220 0.000 0.928 191 D HN 0.508 nan 8.370 nan 0.000 0.469 192 H N -0.500 118.695 119.070 0.209 0.000 2.536 192 H HA 0.149 4.705 4.556 0.000 0.000 0.276 192 H C 2.028 177.546 175.328 0.317 0.000 1.019 192 H CA -0.218 56.041 56.048 0.351 0.000 1.159 192 H CB -0.769 29.286 29.762 0.488 0.000 1.373 192 H HN 0.171 nan 8.280 nan 0.000 0.584 193 I N 0.975 121.469 120.570 -0.126 0.000 2.315 193 I HA -0.259 3.911 4.170 0.000 0.000 0.251 193 I C 1.379 177.531 176.117 0.058 0.000 1.125 193 I CA 1.176 62.417 61.300 -0.099 0.000 1.392 193 I CB 0.145 38.104 38.000 -0.069 0.000 1.065 193 I HN 0.227 nan 8.210 nan 0.000 0.424 194 L N -0.313 121.001 121.223 0.153 0.000 2.640 194 L HA 0.132 4.472 4.340 0.000 0.000 0.230 194 L C 0.476 177.607 176.870 0.435 0.000 1.123 194 L CA 0.044 55.036 54.840 0.254 0.000 0.900 194 L CB -0.091 42.056 42.059 0.147 0.000 1.146 194 L HN 0.145 nan 8.230 nan 0.000 0.484 195 D N -0.974 119.706 120.400 0.465 0.000 2.513 195 D HA 0.055 4.695 4.640 0.000 0.000 0.222 195 D C -0.532 176.130 176.300 0.603 0.000 1.210 195 D CA 0.131 54.444 54.000 0.520 0.000 0.825 195 D CB 0.969 42.097 40.800 0.546 0.000 1.037 195 D HN 0.165 nan 8.370 nan 0.000 0.506 196 W N 2.144 123.599 121.300 0.258 0.000 2.830 196 W HA 0.582 5.242 4.660 0.000 0.000 0.335 196 W C -1.321 175.055 176.519 -0.239 0.000 1.043 196 W CA -0.884 56.543 57.345 0.137 0.000 1.239 196 W CB 1.222 30.876 29.460 0.324 0.000 1.378 196 W HN -0.224 nan 8.180 nan 0.000 0.456 197 A N 4.723 127.257 122.820 -0.477 0.000 2.351 197 A HA 0.166 4.486 4.320 0.000 0.000 0.257 197 A C -0.997 176.340 177.584 -0.412 0.000 1.087 197 A CA -0.341 51.331 52.037 -0.609 0.000 0.798 197 A CB 0.121 18.977 19.000 -0.240 0.000 1.033 197 A HN 0.658 nan 8.150 nan 0.000 0.488 198 Y N 2.349 122.458 120.300 -0.319 0.000 2.865 198 Y HA 0.009 4.559 4.550 0.000 0.000 0.338 198 Y C 1.046 176.873 175.900 -0.121 0.000 1.269 198 Y CA 1.533 59.558 58.100 -0.126 0.000 1.585 198 Y CB -0.039 38.373 38.460 -0.081 0.000 1.224 198 Y HN 0.713 nan 8.280 nan 0.000 0.554 199 M N 3.219 122.588 119.600 -0.385 0.000 2.949 199 M HA -0.242 4.238 4.480 0.000 0.000 0.194 199 M C 1.119 177.283 176.300 -0.226 0.000 0.618 199 M CA 1.375 56.491 55.300 -0.307 0.000 0.742 199 M CB -2.453 29.912 32.600 -0.391 0.000 2.662 199 M HN 1.442 nan 8.290 nan 0.000 0.291 200 G N 0.548 108.927 108.800 -0.702 0.000 2.143 200 G HA2 -0.208 3.752 3.960 0.000 0.000 0.248 200 G HA3 -0.208 3.752 3.960 0.000 0.000 0.248 200 G C -0.173 174.342 174.900 -0.642 0.000 0.991 200 G CA 0.515 44.800 45.100 -1.359 0.000 0.689 200 G HN 0.532 nan 8.290 nan 0.000 0.522 201 D N 1.071 121.244 120.400 -0.378 0.000 2.400 201 D HA 0.335 4.975 4.640 0.000 0.000 0.238 201 D C 0.954 177.168 176.300 -0.142 0.000 1.157 201 D CA 0.029 53.923 54.000 -0.177 0.000 0.889 201 D CB 0.527 41.288 40.800 -0.066 0.000 1.199 201 D HN 0.275 nan 8.370 nan 0.000 0.436 202 E N 1.150 121.305 120.200 -0.074 0.000 2.413 202 E HA 0.049 4.399 4.350 0.000 0.000 0.263 202 E C 0.066 176.699 176.600 0.055 0.000 1.015 202 E CA 0.713 57.097 56.400 -0.026 0.000 0.916 202 E CB 0.467 30.150 29.700 -0.028 0.000 0.947 202 E HN 0.382 nan 8.360 nan 0.000 0.440 203 H N 0.845 119.905 119.070 -0.016 0.000 3.123 203 H HA -0.008 4.548 4.556 0.000 0.000 0.346 203 H C 0.696 176.038 175.328 0.022 0.000 1.138 203 H CA 0.273 56.345 56.048 0.041 0.000 1.273 203 H CB 1.152 31.003 29.762 0.147 0.000 1.926 203 H HN 0.403 nan 8.280 nan 0.000 0.524 204 E N 2.004 122.256 120.200 0.086 0.000 2.160 204 E HA -0.092 4.258 4.350 0.000 0.000 0.195 204 E C 1.485 178.155 176.600 0.117 0.000 0.991 204 E CA 1.011 57.450 56.400 0.066 0.000 0.810 204 E CB -0.557 29.129 29.700 -0.022 0.000 0.742 204 E HN 0.556 nan 8.360 nan 0.000 0.466 205 A N 0.487 123.478 122.820 0.284 0.000 2.218 205 A HA 0.636 4.956 4.320 0.000 0.000 0.209 205 A C 1.613 179.138 177.584 -0.099 0.000 1.168 205 A CA 0.416 52.390 52.037 -0.106 0.000 0.804 205 A CB -0.240 18.439 19.000 -0.536 0.000 0.834 205 A HN 0.694 nan 8.150 nan 0.000 0.482 206 A N 0.062 122.975 122.820 0.154 0.000 2.276 206 A HA 0.484 4.804 4.320 0.000 0.000 0.300 206 A C 1.001 178.593 177.584 0.013 0.000 1.235 206 A CA -0.289 51.875 52.037 0.211 0.000 0.867 206 A CB 0.420 19.561 19.000 0.235 0.000 1.137 206 A HN 0.366 nan 8.150 nan 0.000 0.527 207 K N 1.840 122.187 120.400 -0.090 0.000 2.097 207 K HA -0.075 4.245 4.320 0.000 0.000 0.206 207 K C -0.464 175.800 176.600 -0.560 0.000 1.049 207 K CA 1.134 57.150 56.287 -0.452 0.000 0.933 207 K CB 0.039 32.126 32.500 -0.688 0.000 0.717 207 K HN 0.784 nan 8.250 nan 0.000 0.442 208 W N -0.141 121.203 121.300 0.074 0.000 2.864 208 W HA 0.330 4.990 4.660 0.000 0.000 0.343 208 W C -0.376 176.060 176.519 -0.138 0.000 1.109 208 W CA -0.954 56.352 57.345 -0.064 0.000 1.192 208 W CB 1.778 31.086 29.460 -0.254 0.000 1.426 208 W HN -0.080 nan 8.180 nan 0.000 0.529 209 S N -0.254 115.463 115.700 0.028 0.000 2.672 209 S HA 0.453 4.923 4.470 0.000 0.000 0.271 209 S C 0.441 174.954 174.600 -0.146 0.000 1.171 209 S CA -1.063 56.926 58.200 -0.351 0.000 0.817 209 S CB 1.641 64.711 63.200 -0.216 0.000 1.150 209 S HN 0.592 nan 8.310 nan 0.000 0.478 210 R N 0.359 120.734 120.500 -0.208 0.000 2.139 210 R HA -0.074 4.266 4.340 0.000 0.000 0.243 210 R C 1.749 178.100 176.300 0.085 0.000 1.145 210 R CA 1.963 58.103 56.100 0.065 0.000 0.976 210 R CB -0.874 29.442 30.300 0.026 0.000 0.866 210 R HN 0.899 nan 8.270 nan 0.000 0.449 211 T N -2.636 111.941 114.554 0.037 0.000 3.107 211 T HA 0.156 4.506 4.350 0.000 0.000 0.249 211 T C 0.692 175.448 174.700 0.095 0.000 1.096 211 T CA -0.354 61.780 62.100 0.058 0.000 1.012 211 T CB 0.295 69.180 68.868 0.029 0.000 0.977 211 T HN -0.116 nan 8.240 nan 0.000 0.527 212 S N 2.024 117.803 115.700 0.131 0.000 2.576 212 S HA 0.123 4.593 4.470 0.000 0.000 0.272 212 S C 0.233 174.962 174.600 0.214 0.000 1.352 212 S CA -0.491 57.836 58.200 0.211 0.000 1.021 212 S CB 0.427 63.827 63.200 0.333 0.000 0.887 212 S HN 0.511 nan 8.310 nan 0.000 0.542 213 E N 1.050 121.400 120.200 0.249 0.000 2.220 213 E HA 0.019 4.369 4.350 0.000 0.000 0.272 213 E C 0.834 177.595 176.600 0.268 0.000 1.099 213 E CA -0.188 56.348 56.400 0.227 0.000 0.907 213 E CB 0.680 30.508 29.700 0.214 0.000 1.022 213 E HN 0.416 nan 8.360 nan 0.000 0.428 214 V N 4.804 124.881 119.914 0.273 0.000 2.490 214 V HA -0.228 3.892 4.120 0.000 0.000 0.250 214 V C 1.703 178.041 176.094 0.407 0.000 1.061 214 V CA 1.573 64.097 62.300 0.373 0.000 1.064 214 V CB 0.119 32.160 31.823 0.364 0.000 0.670 214 V HN 0.578 nan 8.190 nan 0.000 0.461 215 V N 0.040 120.166 119.914 0.352 0.000 2.407 215 V HA -0.169 3.951 4.120 0.000 0.000 0.248 215 V C 2.645 178.837 176.094 0.163 0.000 1.055 215 V CA 2.138 64.618 62.300 0.301 0.000 1.049 215 V CB -0.665 31.285 31.823 0.213 0.000 0.662 215 V HN 0.576 nan 8.190 nan 0.000 0.455 216 E N -0.494 119.810 120.200 0.173 0.000 2.047 216 E HA -0.183 4.167 4.350 0.000 0.000 0.191 216 E C 2.080 178.678 176.600 -0.004 0.000 0.987 216 E CA 1.139 57.645 56.400 0.176 0.000 0.799 216 E CB -0.409 29.512 29.700 0.368 0.000 0.752 216 E HN 0.554 nan 8.360 nan 0.000 0.449 217 F N 1.988 121.639 119.950 -0.498 0.000 2.095 217 F HA -0.203 4.324 4.527 0.000 0.000 0.298 217 F C 2.290 177.786 175.800 -0.506 0.000 1.104 217 F CA 1.294 58.610 58.000 -1.141 0.000 1.232 217 F CB -0.887 37.637 39.000 -0.793 0.000 0.987 217 F HN -0.029 nan 8.300 nan 0.000 0.475 218 A N 0.601 123.297 122.820 -0.207 0.000 1.917 218 A HA -0.259 4.061 4.320 0.000 0.000 0.219 218 A C 2.346 179.797 177.584 -0.222 0.000 1.182 218 A CA 2.047 53.970 52.037 -0.190 0.000 0.633 218 A CB -0.836 18.013 19.000 -0.252 0.000 0.819 218 A HN 0.488 nan 8.150 nan 0.000 0.448 219 R N -0.791 119.495 120.500 -0.356 0.000 2.241 219 R HA -0.085 4.255 4.340 0.000 0.000 0.224 219 R C 0.720 176.845 176.300 -0.291 0.000 1.101 219 R CA 1.201 56.940 56.100 -0.602 0.000 0.995 219 R CB -0.235 29.756 30.300 -0.516 0.000 0.870 219 R HN 0.418 nan 8.270 nan 0.000 0.463 220 D N -0.286 120.060 120.400 -0.091 0.000 2.339 220 D HA 0.123 4.763 4.640 0.000 0.000 0.217 220 D C -0.332 176.013 176.300 0.075 0.000 1.050 220 D CA 0.466 54.511 54.000 0.074 0.000 0.856 220 D CB 0.387 41.365 40.800 0.297 0.000 0.922 220 D HN 0.044 nan 8.370 nan 0.000 0.518 221 L N -0.187 121.075 121.223 0.065 0.000 2.346 221 L HA 0.447 4.787 4.340 0.000 0.000 0.274 221 L C 0.462 177.377 176.870 0.074 0.000 1.007 221 L CA -0.533 54.323 54.840 0.027 0.000 0.818 221 L CB 1.985 43.958 42.059 -0.143 0.000 1.284 221 L HN -0.257 nan 8.230 nan 0.000 0.424 222 N N -1.519 117.085 118.700 -0.159 0.000 2.428 222 N HA 0.111 4.851 4.740 0.000 0.000 0.249 222 N C -0.666 174.563 175.510 -0.469 0.000 1.092 222 N CA -0.352 52.463 53.050 -0.391 0.000 0.833 222 N CB 0.551 38.668 38.487 -0.616 0.000 1.575 222 N HN 0.550 nan 8.380 nan 0.000 0.476 223 H N 0.959 120.001 119.070 -0.048 0.000 2.472 223 H HA 0.422 4.978 4.556 0.000 0.000 0.338 223 H C -2.495 172.758 175.328 -0.125 0.000 1.133 223 H CA -2.073 53.934 56.048 -0.068 0.000 1.216 223 H CB 1.724 31.464 29.762 -0.036 0.000 1.497 223 H HN 0.029 nan 8.280 nan 0.000 0.500 224 P HA 0.013 nan 4.420 nan 0.000 0.281 224 P C -0.100 177.139 177.300 -0.102 0.000 1.249 224 P CA -0.658 62.400 63.100 -0.070 0.000 0.810 224 P CB 1.212 32.902 31.700 -0.018 0.000 1.008 225 L N 1.244 122.358 121.223 -0.181 0.000 3.963 225 L HA -0.248 4.092 4.340 0.000 0.000 0.522 225 L C -0.882 175.716 176.870 -0.454 0.000 1.097 225 L CA 0.510 55.174 54.840 -0.293 0.000 0.727 225 L CB -2.466 39.446 42.059 -0.244 0.000 1.193 225 L HN 0.377 nan 8.230 nan 0.000 0.757 226 N N 2.109 120.490 118.700 -0.532 0.000 2.407 226 N HA 0.073 4.813 4.740 0.000 0.000 0.250 226 N C 1.482 176.537 175.510 -0.757 0.000 1.236 226 N CA 0.445 53.028 53.050 -0.778 0.000 0.879 226 N CB 0.243 37.842 38.487 -1.480 0.000 1.088 226 N HN 0.514 nan 8.380 nan 0.000 0.450 227 C N 0.505 119.471 119.300 -0.556 0.000 2.403 227 C HA -0.163 4.297 4.460 0.000 0.000 0.279 227 C C 2.029 176.922 174.990 -0.161 0.000 1.269 227 C CA 0.355 59.199 59.018 -0.290 0.000 1.774 227 C CB -1.568 26.114 27.740 -0.096 0.000 1.993 227 C HN 0.881 nan 8.230 nan 0.000 0.496 228 F N -0.444 119.468 119.950 -0.064 0.000 2.802 228 F HA 0.183 4.710 4.527 0.000 0.000 0.300 228 F C 1.905 177.655 175.800 -0.084 0.000 1.168 228 F CA 0.283 58.254 58.000 -0.047 0.000 1.433 228 F CB -1.414 37.548 39.000 -0.063 0.000 1.115 228 F HN 0.110 nan 8.300 nan 0.000 0.582 229 M N -0.547 118.918 119.600 -0.224 0.000 2.296 229 M HA -0.136 4.344 4.480 0.000 0.000 0.265 229 M C 1.134 177.360 176.300 -0.123 0.000 1.064 229 M CA 1.170 56.380 55.300 -0.149 0.000 1.109 229 M CB -0.554 31.893 32.600 -0.256 0.000 1.396 229 M HN 0.423 nan 8.290 nan 0.000 0.430 230 C N -1.602 117.568 119.300 -0.216 0.000 3.403 230 C HA 0.216 4.676 4.460 0.000 0.000 0.317 230 C C 0.382 175.164 174.990 -0.345 0.000 1.346 230 C CA -0.429 58.395 59.018 -0.323 0.000 1.743 230 C CB -0.403 27.027 27.740 -0.518 0.000 2.308 230 C HN 0.330 nan 8.230 nan 0.000 0.675 231 H N 1.032 120.113 119.070 0.019 0.000 2.744 231 H HA 0.272 4.828 4.556 0.000 0.000 0.339 231 H C -1.401 173.949 175.328 0.038 0.000 1.004 231 H CA -0.483 55.572 56.048 0.010 0.000 1.257 231 H CB 1.094 30.845 29.762 -0.019 0.000 1.552 231 H HN 0.213 nan 8.280 nan 0.000 0.522 232 D N 4.749 125.229 120.400 0.133 0.000 2.417 232 D HA 0.022 4.662 4.640 0.000 0.000 0.250 232 D C -1.187 175.135 176.300 0.037 0.000 1.166 232 D CA -1.223 52.831 54.000 0.091 0.000 0.881 232 D CB 1.338 42.204 40.800 0.111 0.000 1.164 232 D HN 0.219 nan 8.370 nan 0.000 0.467 233 P HA -0.114 nan 4.420 nan 0.000 0.225 233 P C 0.299 177.593 177.300 -0.009 0.000 1.156 233 P CA 1.271 64.330 63.100 -0.070 0.000 0.787 233 P CB 0.200 31.717 31.700 -0.305 0.000 0.802 234 H N -0.012 119.199 119.070 0.235 0.000 2.370 234 H HA 0.025 4.581 4.556 0.000 0.000 0.304 234 H C 2.287 177.728 175.328 0.189 0.000 1.055 234 H CA 1.699 57.931 56.048 0.307 0.000 1.373 234 H CB -0.215 29.718 29.762 0.286 0.000 1.423 234 H HN 0.171 nan 8.280 nan 0.000 0.533 235 S N 0.029 115.839 115.700 0.184 0.000 2.503 235 S HA 0.290 4.760 4.470 0.000 0.000 0.217 235 S C 1.748 176.286 174.600 -0.103 0.000 0.999 235 S CA 0.249 58.482 58.200 0.055 0.000 0.914 235 S CB 0.402 63.647 63.200 0.075 0.000 0.782 235 S HN 0.571 nan 8.310 nan 0.000 0.520 236 A N 0.199 122.896 122.820 -0.204 0.000 3.132 236 A HA -0.056 4.264 4.320 0.000 0.000 0.266 236 A C 0.966 178.465 177.584 -0.142 0.000 1.216 236 A CA 1.026 52.832 52.037 -0.386 0.000 0.985 236 A CB -2.499 15.993 19.000 -0.847 0.000 1.102 236 A HN 1.359 nan 8.150 nan 0.000 0.833 237 G N -0.592 108.189 108.800 -0.031 0.000 2.537 237 G HA2 0.550 4.510 3.960 0.000 0.000 0.273 237 G HA3 0.550 4.510 3.960 0.000 0.000 0.273 237 G C -2.042 172.910 174.900 0.087 0.000 1.189 237 G CA -0.762 44.355 45.100 0.028 0.000 0.881 237 G HN 0.371 nan 8.290 nan 0.000 0.535 238 P HA 0.278 nan 4.420 nan 0.000 0.275 238 P C -0.512 176.827 177.300 0.064 0.000 1.227 238 P CA -0.096 63.059 63.100 0.092 0.000 0.781 238 P CB 1.223 32.973 31.700 0.084 0.000 0.906 239 R N 0.741 121.263 120.500 0.038 0.000 2.747 239 R HA 0.734 5.074 4.340 0.000 0.000 0.272 239 R C -1.248 175.061 176.300 0.016 0.000 1.032 239 R CA -1.052 55.073 56.100 0.043 0.000 0.896 239 R CB 0.840 31.182 30.300 0.069 0.000 1.253 239 R HN 0.241 nan 8.270 nan 0.000 0.461 240 V N -1.092 118.838 119.914 0.026 0.000 2.960 240 V HA 0.688 4.809 4.120 0.000 0.000 0.315 240 V C 0.404 176.515 176.094 0.029 0.000 1.087 240 V CA -0.118 62.188 62.300 0.010 0.000 0.982 240 V CB 1.847 33.671 31.823 0.002 0.000 1.039 240 V HN 0.887 nan 8.190 nan 0.000 0.437 241 V N -1.376 118.549 119.914 0.018 0.000 3.502 241 V HA 0.486 4.606 4.120 0.000 0.000 0.288 241 V C 0.893 176.993 176.094 0.011 0.000 1.461 241 V CA 0.252 62.575 62.300 0.039 0.000 1.029 241 V CB 0.005 31.864 31.823 0.060 0.000 0.843 241 V HN 0.929 nan 8.190 nan 0.000 0.438 242 R N 3.316 123.793 120.500 -0.037 0.000 2.351 242 R HA 0.173 4.513 4.340 0.000 0.000 0.318 242 R C 1.154 177.356 176.300 -0.164 0.000 1.055 242 R CA 0.598 56.641 56.100 -0.095 0.000 0.968 242 R CB 0.306 30.549 30.300 -0.095 0.000 0.974 242 R HN 0.632 nan 8.270 nan 0.000 0.439 243 D N 3.325 123.643 120.400 -0.137 0.000 2.104 243 D HA -0.139 4.501 4.640 0.000 0.000 0.194 243 D C 1.502 177.528 176.300 -0.456 0.000 0.994 243 D CA 1.801 55.675 54.000 -0.211 0.000 0.830 243 D CB -0.792 39.841 40.800 -0.278 0.000 0.959 243 D HN 0.614 nan 8.370 nan 0.000 0.452 244 G N 0.244 108.656 108.800 -0.648 0.000 2.442 244 G HA2 -0.228 3.732 3.960 0.000 0.000 0.219 244 G HA3 -0.228 3.732 3.960 0.000 0.000 0.219 244 G C 1.539 175.643 174.900 -1.326 0.000 1.141 244 G CA 1.049 45.526 45.100 -1.039 0.000 0.763 244 G HN 0.326 nan 8.290 nan 0.000 0.554 245 L N 0.617 121.062 121.223 -1.296 0.000 2.044 245 L HA 0.172 4.512 4.340 0.000 0.000 0.205 245 L C 2.686 179.273 176.870 -0.471 0.000 1.075 245 L CA 1.225 55.604 54.840 -0.769 0.000 0.747 245 L CB -0.443 41.398 42.059 -0.364 0.000 0.903 245 L HN 0.254 nan 8.230 nan 0.000 0.435 246 I N 0.030 120.433 120.570 -0.278 0.000 2.208 246 I HA -0.350 3.820 4.170 0.000 0.000 0.245 246 I C 2.469 178.548 176.117 -0.064 0.000 1.097 246 I CA 1.756 63.000 61.300 -0.094 0.000 1.363 246 I CB -0.692 37.360 38.000 0.087 0.000 1.051 246 I HN 0.511 nan 8.210 nan 0.000 0.413 247 N N 1.326 119.973 118.700 -0.088 0.000 2.069 247 N HA -0.223 4.517 4.740 0.000 0.000 0.191 247 N C 1.960 177.403 175.510 -0.111 0.000 1.031 247 N CA 1.810 54.828 53.050 -0.053 0.000 0.852 247 N CB 0.054 38.443 38.487 -0.163 0.000 1.018 247 N HN 0.370 nan 8.380 nan 0.000 0.423 248 A N 0.844 123.515 122.820 -0.249 0.000 1.873 248 A HA -0.044 4.276 4.320 0.000 0.000 0.215 248 A C 2.528 179.978 177.584 -0.223 0.000 1.186 248 A CA 1.404 53.295 52.037 -0.244 0.000 0.616 248 A CB -0.802 17.935 19.000 -0.439 0.000 0.823 248 A HN 0.211 nan 8.150 nan 0.000 0.442 249 V N -0.887 118.828 119.914 -0.331 0.000 2.323 249 V HA -0.153 3.967 4.120 0.000 0.000 0.244 249 V C 2.389 178.466 176.094 -0.029 0.000 1.041 249 V CA 2.000 64.202 62.300 -0.163 0.000 1.025 249 V CB -0.317 31.404 31.823 -0.171 0.000 0.656 249 V HN 0.361 nan 8.190 nan 0.000 0.451 250 V N -0.625 119.266 119.914 -0.037 0.000 2.602 250 V HA -0.008 4.112 4.120 0.000 0.000 0.235 250 V C 2.101 178.203 176.094 0.014 0.000 1.087 250 V CA 1.189 63.488 62.300 -0.002 0.000 1.117 250 V CB -0.491 31.325 31.823 -0.011 0.000 0.820 250 V HN 0.412 nan 8.190 nan 0.000 0.490 251 D N 0.758 121.172 120.400 0.024 0.000 2.123 251 D HA -0.146 4.494 4.640 0.000 0.000 0.196 251 D C 2.158 178.486 176.300 0.047 0.000 0.992 251 D CA 1.313 55.339 54.000 0.044 0.000 0.833 251 D CB -0.200 40.651 40.800 0.085 0.000 0.954 251 D HN 0.300 nan 8.370 nan 0.000 0.455 252 R N -0.538 119.991 120.500 0.047 0.000 2.317 252 R HA 0.246 4.586 4.340 0.000 0.000 0.208 252 R C 1.188 177.536 176.300 0.080 0.000 0.914 252 R CA 0.433 56.575 56.100 0.070 0.000 1.060 252 R CB 0.386 30.739 30.300 0.088 0.000 1.015 252 R HN 0.128 nan 8.270 nan 0.000 0.498 253 G N 1.208 110.047 108.800 0.064 0.000 2.233 253 G HA2 -0.292 3.668 3.960 0.000 0.000 0.270 253 G HA3 -0.292 3.668 3.960 0.000 0.000 0.270 253 G C 0.646 175.606 174.900 0.100 0.000 1.011 253 G CA 0.340 45.482 45.100 0.070 0.000 0.762 253 G HN 0.330 nan 8.290 nan 0.000 0.511 254 L N -0.095 121.212 121.223 0.140 0.000 2.313 254 L HA 0.357 4.697 4.340 0.000 0.000 0.214 254 L C 1.828 178.832 176.870 0.223 0.000 1.119 254 L CA 0.841 55.810 54.840 0.216 0.000 0.809 254 L CB -0.508 41.782 42.059 0.385 0.000 0.933 254 L HN 1.140 nan 8.230 nan 0.000 0.449 255 G N -0.288 108.632 108.800 0.201 0.000 2.730 255 G HA2 -0.263 3.697 3.960 0.000 0.000 0.686 255 G HA3 -0.263 3.697 3.960 0.000 0.000 0.686 255 G C 0.577 175.673 174.900 0.326 0.000 1.343 255 G CA -0.163 45.056 45.100 0.197 0.000 0.826 255 G HN 0.182 nan 8.290 nan 0.000 0.582 256 T N -2.680 112.040 114.554 0.278 0.000 2.915 256 T HA 0.049 4.399 4.350 0.000 0.000 0.269 256 T C 0.870 175.586 174.700 0.027 0.000 1.071 256 T CA 2.000 64.275 62.100 0.290 0.000 1.132 256 T CB 0.046 69.070 68.868 0.260 0.000 0.878 256 T HN 0.829 nan 8.240 nan 0.000 0.479 257 Y N 1.347 121.687 120.300 0.068 0.000 2.749 257 Y HA 0.414 4.964 4.550 0.000 0.000 0.343 257 Y C -2.223 173.432 175.900 -0.407 0.000 1.015 257 Y CA -2.919 55.019 58.100 -0.270 0.000 1.270 257 Y CB 1.824 40.090 38.460 -0.324 0.000 1.097 257 Y HN 0.033 nan 8.280 nan 0.000 0.571 258 P HA -0.192 nan 4.420 nan 0.000 0.221 258 P C 1.166 178.374 177.300 -0.154 0.000 1.145 258 P CA 1.646 64.609 63.100 -0.230 0.000 0.795 258 P CB 0.123 31.598 31.700 -0.375 0.000 0.775 259 H N -2.762 116.120 119.070 -0.314 0.000 2.548 259 H HA 0.186 4.742 4.556 0.000 0.000 0.265 259 H C -0.229 175.056 175.328 -0.072 0.000 0.969 259 H CA 0.450 56.405 56.048 -0.155 0.000 1.155 259 H CB -0.181 29.494 29.762 -0.144 0.000 1.394 259 H HN 0.056 nan 8.280 nan 0.000 0.570 260 D N 1.589 121.722 120.400 -0.445 0.000 2.364 260 D HA 0.149 4.789 4.640 0.000 0.000 0.251 260 D C -2.002 174.195 176.300 -0.172 0.000 1.282 260 D CA -1.913 51.890 54.000 -0.328 0.000 0.927 260 D CB 1.792 42.295 40.800 -0.495 0.000 1.267 260 D HN -0.024 nan 8.370 nan 0.000 0.531 261 P HA -0.123 nan 4.420 nan 0.000 0.218 261 P C 1.569 178.847 177.300 -0.036 0.000 1.148 261 P CA 0.435 63.512 63.100 -0.039 0.000 0.822 261 P CB 0.739 32.427 31.700 -0.021 0.000 0.784 262 V N 0.992 120.870 119.914 -0.060 0.000 2.270 262 V HA -0.196 3.924 4.120 0.000 0.000 0.245 262 V C 2.824 178.875 176.094 -0.072 0.000 1.043 262 V CA 1.991 64.257 62.300 -0.055 0.000 1.014 262 V CB -1.126 30.662 31.823 -0.059 0.000 0.645 262 V HN 0.108 nan 8.190 nan 0.000 0.447 263 K N -0.003 120.314 120.400 -0.137 0.000 2.097 263 K HA -0.169 4.151 4.320 0.000 0.000 0.206 263 K C 2.373 178.924 176.600 -0.082 0.000 1.049 263 K CA 1.669 57.826 56.287 -0.216 0.000 0.933 263 K CB -0.227 31.984 32.500 -0.481 0.000 0.717 263 K HN 0.391 nan 8.250 nan 0.000 0.442 264 S N 0.867 116.582 115.700 0.024 0.000 2.383 264 S HA -0.166 4.304 4.470 0.000 0.000 0.229 264 S C 1.714 176.377 174.600 0.106 0.000 1.030 264 S CA 1.273 59.568 58.200 0.159 0.000 1.002 264 S CB -0.201 63.069 63.200 0.116 0.000 0.829 264 S HN 0.384 nan 8.310 nan 0.000 0.467 265 E N 1.158 121.386 120.200 0.047 0.000 2.076 265 E HA -0.093 4.257 4.350 0.000 0.000 0.190 265 E C 2.005 178.627 176.600 0.037 0.000 0.979 265 E CA 0.908 57.330 56.400 0.038 0.000 0.807 265 E CB -0.127 29.584 29.700 0.017 0.000 0.761 265 E HN 0.577 nan 8.360 nan 0.000 0.454 266 Q N -0.229 119.583 119.800 0.019 0.000 2.167 266 Q HA -0.073 4.267 4.340 0.000 0.000 0.202 266 Q C 0.556 176.584 176.000 0.046 0.000 0.970 266 Q CA 0.880 56.693 55.803 0.017 0.000 0.855 266 Q CB 0.188 28.917 28.738 -0.014 0.000 0.911 266 Q HN 0.211 nan 8.270 nan 0.000 0.438 267 Q N -0.093 119.755 119.800 0.080 0.000 2.831 267 Q HA 0.321 4.661 4.340 0.000 0.000 0.366 267 Q C -0.491 175.630 176.000 0.201 0.000 0.899 267 Q CA -0.569 55.323 55.803 0.149 0.000 0.987 267 Q CB 1.550 30.403 28.738 0.192 0.000 1.382 267 Q HN 0.158 nan 8.270 nan 0.000 0.403 268 G N 0.641 109.523 108.800 0.136 0.000 2.642 268 G HA2 0.735 4.695 3.960 0.000 0.000 0.291 268 G HA3 0.735 4.695 3.960 0.000 0.000 0.291 268 G C -0.937 174.025 174.900 0.103 0.000 1.345 268 G CA -0.498 44.678 45.100 0.126 0.000 1.043 268 G HN 0.305 nan 8.290 nan 0.000 0.528 269 M N 0.023 119.670 119.600 0.079 0.000 2.393 269 M HA 0.481 4.961 4.480 0.000 0.000 0.299 269 M C -1.311 175.010 176.300 0.035 0.000 1.103 269 M CA -0.452 54.882 55.300 0.057 0.000 0.910 269 M CB 2.275 34.902 32.600 0.046 0.000 1.659 269 M HN 0.415 nan 8.290 nan 0.000 0.445 270 T N 3.984 118.554 114.554 0.026 0.000 2.770 270 T HA 0.307 4.657 4.350 0.000 0.000 0.283 270 T C -0.683 174.014 174.700 -0.006 0.000 0.988 270 T CA -0.606 61.499 62.100 0.007 0.000 0.957 270 T CB 1.134 70.006 68.868 0.007 0.000 0.930 270 T HN 0.586 nan 8.240 nan 0.000 0.443 271 K N 3.404 123.787 120.400 -0.029 0.000 2.349 271 K HA 0.421 4.741 4.320 0.000 0.000 0.288 271 K C -0.909 175.640 176.600 -0.085 0.000 1.058 271 K CA -0.356 55.897 56.287 -0.057 0.000 0.953 271 K CB 0.389 32.835 32.500 -0.089 0.000 0.997 271 K HN 0.325 nan 8.250 nan 0.000 0.477 272 V N 4.103 123.966 119.914 -0.085 0.000 2.448 272 V HA 0.246 4.366 4.120 0.000 0.000 0.295 272 V C -0.293 175.657 176.094 -0.239 0.000 1.025 272 V CA -0.738 61.459 62.300 -0.172 0.000 0.859 272 V CB 1.834 33.572 31.823 -0.142 0.000 0.988 272 V HN 0.834 nan 8.190 nan 0.000 0.431 273 T N 5.477 119.829 114.554 -0.336 0.000 2.824 273 T HA 0.696 5.046 4.350 0.000 0.000 0.280 273 T C -0.732 173.716 174.700 -0.420 0.000 0.995 273 T CA -0.083 61.861 62.100 -0.259 0.000 1.009 273 T CB 0.823 69.584 68.868 -0.178 0.000 0.955 273 T HN 0.299 nan 8.240 nan 0.000 0.452 274 F N 1.584 121.553 119.950 0.031 0.000 2.480 274 F HA 0.484 5.011 4.527 0.000 0.000 0.329 274 F C 0.764 176.652 175.800 0.145 0.000 1.091 274 F CA -0.989 57.064 58.000 0.088 0.000 0.972 274 F CB 1.633 40.701 39.000 0.113 0.000 1.150 274 F HN 0.318 nan 8.300 nan 0.000 0.467 275 Q N 2.568 122.542 119.800 0.289 0.000 2.297 275 Q HA 0.619 4.959 4.340 0.000 0.000 0.268 275 Q C -0.800 175.305 176.000 0.177 0.000 1.045 275 Q CA -1.330 54.606 55.803 0.222 0.000 0.861 275 Q CB 2.481 31.295 28.738 0.126 0.000 1.344 275 Q HN 0.413 nan 8.270 nan 0.000 0.452 276 R N 0.045 120.613 120.500 0.113 0.000 2.513 276 R HA 0.349 4.689 4.340 0.000 0.000 0.301 276 R C 0.158 176.481 176.300 0.038 0.000 0.968 276 R CA -0.338 55.752 56.100 -0.016 0.000 0.872 276 R CB 1.466 31.602 30.300 -0.272 0.000 1.177 276 R HN 1.021 nan 8.270 nan 0.000 0.444 277 G N 1.523 110.332 108.800 0.015 0.000 2.305 277 G HA2 -0.398 3.562 3.960 0.000 0.000 0.287 277 G HA3 -0.398 3.562 3.960 0.000 0.000 0.287 277 G C 0.338 175.254 174.900 0.026 0.000 1.036 277 G CA 0.858 45.967 45.100 0.014 0.000 0.887 277 G HN 0.521 nan 8.290 nan 0.000 0.505 278 R N -2.265 118.258 120.500 0.038 0.000 3.878 278 R HA -0.210 4.130 4.340 0.000 0.000 0.330 278 R C 0.453 176.783 176.300 0.049 0.000 1.186 278 R CA 2.136 58.258 56.100 0.036 0.000 0.885 278 R CB -2.413 27.896 30.300 0.016 0.000 1.377 278 R HN 1.287 nan 8.270 nan 0.000 0.523 279 E N 0.721 120.971 120.200 0.084 0.000 2.199 279 E HA 0.338 4.688 4.350 0.000 0.000 0.269 279 E C -0.940 175.782 176.600 0.204 0.000 0.899 279 E CA -0.899 55.569 56.400 0.114 0.000 0.772 279 E CB 1.075 30.835 29.700 0.099 0.000 1.155 279 E HN 0.183 nan 8.360 nan 0.000 0.408 280 D N 3.095 123.600 120.400 0.175 0.000 2.525 280 D HA -0.043 4.597 4.640 0.000 0.000 0.235 280 D C -0.141 176.378 176.300 0.365 0.000 1.137 280 D CA 0.589 54.703 54.000 0.191 0.000 0.868 280 D CB 0.467 41.321 40.800 0.091 0.000 1.180 280 D HN 0.393 nan 8.370 nan 0.000 0.465 281 F N 2.213 122.214 119.950 0.086 0.000 2.268 281 F HA 0.212 4.740 4.527 0.000 0.000 0.262 281 F C 0.338 176.139 175.800 0.002 0.000 0.910 281 F CA 0.301 58.256 58.000 -0.076 0.000 1.142 281 F CB 0.385 39.296 39.000 -0.150 0.000 1.229 281 F HN 0.333 nan 8.300 nan 0.000 0.781 282 R N 0.916 121.337 120.500 -0.131 0.000 2.888 282 R HA 0.870 5.210 4.340 0.000 0.000 0.264 282 R C -1.653 174.688 176.300 0.069 0.000 1.045 282 R CA -0.712 55.293 56.100 -0.158 0.000 0.962 282 R CB 1.739 31.870 30.300 -0.282 0.000 1.210 282 R HN 0.173 nan 8.270 nan 0.000 0.479 283 A N 1.220 124.099 122.820 0.098 0.000 2.587 283 A HA 0.730 5.050 4.320 0.000 0.000 0.293 283 A C -0.832 176.843 177.584 0.153 0.000 1.087 283 A CA -0.993 51.083 52.037 0.065 0.000 0.692 283 A CB 1.420 20.249 19.000 -0.285 0.000 1.291 283 A HN 0.856 nan 8.150 nan 0.000 0.407 284 I N -1.787 118.877 120.570 0.157 0.000 3.145 284 I HA 0.950 5.120 4.170 0.000 0.000 0.313 284 I C 0.056 176.220 176.117 0.078 0.000 1.122 284 I CA -1.224 60.160 61.300 0.140 0.000 0.987 284 I CB 2.506 40.627 38.000 0.201 0.000 1.236 284 I HN 0.765 nan 8.210 nan 0.000 0.453 285 G N 3.937 112.775 108.800 0.063 0.000 2.660 285 G HA2 0.575 4.535 3.960 0.000 0.000 0.305 285 G HA3 0.575 4.535 3.960 0.000 0.000 0.305 285 G C -0.789 174.142 174.900 0.051 0.000 1.329 285 G CA -0.564 44.559 45.100 0.039 0.000 1.000 285 G HN 0.537 nan 8.290 nan 0.000 0.514 286 L N 2.525 123.780 121.223 0.053 0.000 2.367 286 L HA 0.325 4.665 4.340 0.000 0.000 0.275 286 L C 0.269 177.172 176.870 0.056 0.000 1.129 286 L CA -0.388 54.487 54.840 0.059 0.000 0.839 286 L CB 1.022 43.115 42.059 0.058 0.000 1.133 286 L HN 0.229 nan 8.230 nan 0.000 0.453 287 L N 2.906 124.167 121.223 0.063 0.000 2.334 287 L HA 0.206 4.546 4.340 0.000 0.000 0.277 287 L C 0.899 177.811 176.870 0.070 0.000 1.075 287 L CA -0.636 54.248 54.840 0.073 0.000 0.804 287 L CB 1.280 43.388 42.059 0.082 0.000 1.174 287 L HN 0.579 nan 8.230 nan 0.000 0.438 288 D N 0.324 120.769 120.400 0.075 0.000 2.178 288 D HA -0.067 4.573 4.640 0.000 0.000 0.201 288 D C 0.892 177.231 176.300 0.066 0.000 0.980 288 D CA 1.232 55.271 54.000 0.065 0.000 0.842 288 D CB 0.167 41.006 40.800 0.066 0.000 0.948 288 D HN 0.722 nan 8.370 nan 0.000 0.472 289 T N -3.548 111.055 114.554 0.082 0.000 2.901 289 T HA 0.661 5.011 4.350 0.000 0.000 0.293 289 T C -0.314 174.440 174.700 0.090 0.000 1.084 289 T CA -0.946 61.203 62.100 0.081 0.000 1.008 289 T CB 2.189 71.109 68.868 0.087 0.000 1.170 289 T HN -0.089 nan 8.240 nan 0.000 0.509 290 A N 1.589 124.459 122.820 0.084 0.000 3.026 290 A HA 0.348 4.669 4.320 0.000 0.000 0.272 290 A C 0.206 177.848 177.584 0.095 0.000 1.782 290 A CA -0.294 51.795 52.037 0.087 0.000 1.451 290 A CB -1.289 17.764 19.000 0.088 0.000 1.081 290 A HN 0.723 nan 8.150 nan 0.000 0.611 291 D N 1.512 121.981 120.400 0.115 0.000 2.428 291 D HA 0.187 4.827 4.640 0.000 0.000 0.221 291 D C 1.470 177.851 176.300 0.136 0.000 1.123 291 D CA 0.475 54.569 54.000 0.158 0.000 0.869 291 D CB 0.812 41.748 40.800 0.227 0.000 1.032 291 D HN 0.384 nan 8.370 nan 0.000 0.506 292 S N 3.554 119.319 115.700 0.108 0.000 2.419 292 S HA -0.198 4.272 4.470 0.000 0.000 0.233 292 S C 1.534 176.189 174.600 0.092 0.000 1.016 292 S CA 0.497 58.736 58.200 0.066 0.000 0.974 292 S CB -0.138 63.078 63.200 0.027 0.000 0.786 292 S HN 0.412 nan 8.310 nan 0.000 0.492 293 N N 1.805 120.607 118.700 0.169 0.000 2.094 293 N HA -0.070 4.670 4.740 0.000 0.000 0.191 293 N C 1.714 177.344 175.510 0.200 0.000 1.023 293 N CA 1.591 54.765 53.050 0.206 0.000 0.857 293 N CB -0.751 37.968 38.487 0.387 0.000 1.013 293 N HN 0.417 nan 8.380 nan 0.000 0.426 294 V N 1.139 121.175 119.914 0.203 0.000 2.535 294 V HA -0.043 4.077 4.120 0.000 0.000 0.246 294 V C 2.292 178.470 176.094 0.139 0.000 1.045 294 V CA 0.886 63.309 62.300 0.204 0.000 1.058 294 V CB -0.350 31.585 31.823 0.187 0.000 0.689 294 V HN 0.200 nan 8.190 nan 0.000 0.461 295 M N -0.429 119.223 119.600 0.087 0.000 2.080 295 M HA -0.229 4.251 4.480 0.000 0.000 0.260 295 M C 2.364 178.686 176.300 0.036 0.000 1.068 295 M CA 2.056 57.372 55.300 0.027 0.000 1.109 295 M CB -0.758 31.826 32.600 -0.026 0.000 1.342 295 M HN 0.406 nan 8.290 nan 0.000 0.405 296 C N 0.177 119.506 119.300 0.048 0.000 2.435 296 C HA 0.021 4.481 4.460 0.000 0.000 0.279 296 C C 2.848 177.919 174.990 0.134 0.000 1.321 296 C CA 0.609 59.663 59.018 0.061 0.000 1.752 296 C CB -1.509 26.214 27.740 -0.028 0.000 1.959 296 C HN 0.624 nan 8.230 nan 0.000 0.500 297 A N 0.239 123.160 122.820 0.168 0.000 2.248 297 A HA -0.168 4.152 4.320 0.000 0.000 0.210 297 A C 2.063 179.815 177.584 0.279 0.000 1.174 297 A CA 0.923 53.119 52.037 0.265 0.000 0.750 297 A CB -0.564 18.714 19.000 0.464 0.000 0.780 297 A HN 0.770 nan 8.150 nan 0.000 0.478 298 Q N -1.547 118.364 119.800 0.185 0.000 2.226 298 Q HA -0.167 4.173 4.340 0.000 0.000 0.204 298 Q C 1.476 177.581 176.000 0.175 0.000 0.975 298 Q CA 1.643 57.557 55.803 0.184 0.000 0.866 298 Q CB -0.191 28.575 28.738 0.046 0.000 0.915 298 Q HN 0.824 nan 8.270 nan 0.000 0.440 299 C N -2.587 116.730 119.300 0.029 0.000 3.484 299 C HA 0.126 4.586 4.460 0.000 0.000 0.543 299 C C 0.882 175.680 174.990 -0.320 0.000 1.395 299 C CA -0.518 58.386 59.018 -0.189 0.000 2.412 299 C CB -0.002 27.548 27.740 -0.316 0.000 3.532 299 C HN 0.410 nan 8.230 nan 0.000 0.584 300 H N 2.257 121.244 119.070 -0.139 0.000 2.768 300 H HA 0.404 4.960 4.556 0.000 0.000 0.219 300 H C -0.092 175.208 175.328 -0.046 0.000 1.898 300 H CA 0.720 56.688 56.048 -0.134 0.000 1.313 300 H CB -0.136 29.553 29.762 -0.121 0.000 1.701 300 H HN 0.428 nan 8.280 nan 0.000 0.534 301 V N -1.122 118.818 119.914 0.045 0.000 3.130 301 V HA 0.399 4.519 4.120 0.000 0.000 0.310 301 V C -0.158 175.917 176.094 -0.031 0.000 1.158 301 V CA -1.392 60.877 62.300 -0.051 0.000 1.029 301 V CB 2.741 34.444 31.823 -0.199 0.000 1.057 301 V HN 0.183 nan 8.190 nan 0.000 0.436 302 E N 1.996 122.110 120.200 -0.143 0.000 2.313 302 E HA 0.604 4.954 4.350 0.000 0.000 0.276 302 E C -1.014 175.689 176.600 0.171 0.000 1.031 302 E CA -0.029 56.290 56.400 -0.135 0.000 0.857 302 E CB 1.011 30.468 29.700 -0.405 0.000 1.040 302 E HN 1.017 nan 8.360 nan 0.000 0.408 303 Y N 1.275 121.620 120.300 0.076 0.000 2.638 303 Y HA 0.587 5.137 4.550 0.000 0.000 0.335 303 Y C -1.356 174.736 175.900 0.320 0.000 1.155 303 Y CA -1.583 56.597 58.100 0.133 0.000 1.046 303 Y CB 0.909 39.299 38.460 -0.118 0.000 1.303 303 Y HN 0.457 nan 8.280 nan 0.000 0.460 304 N N 0.471 119.262 118.700 0.151 0.000 2.400 304 N HA 0.609 5.349 4.740 0.000 0.000 0.288 304 N C -1.199 174.488 175.510 0.295 0.000 1.024 304 N CA -0.309 52.750 53.050 0.016 0.000 0.894 304 N CB 1.204 39.557 38.487 -0.224 0.000 1.173 304 N HN 0.941 nan 8.380 nan 0.000 0.487 305 C N 2.814 122.304 119.300 0.317 0.000 3.181 305 C HA 0.579 5.039 4.460 0.000 0.000 0.216 305 C C -1.092 174.079 174.990 0.301 0.000 1.834 305 C CA -1.102 58.181 59.018 0.441 0.000 1.208 305 C CB -1.739 26.430 27.740 0.715 0.000 2.103 305 C HN 0.775 nan 8.230 nan 0.000 0.579 306 N N -1.045 117.778 118.700 0.205 0.000 3.521 306 N HA 0.433 5.173 4.740 0.000 0.000 0.228 306 N C -3.622 171.987 175.510 0.165 0.000 1.328 306 N CA -0.904 52.254 53.050 0.180 0.000 0.907 306 N CB 0.899 39.506 38.487 0.200 0.000 1.487 306 N HN 0.114 nan 8.380 nan 0.000 0.503 307 P HA 0.415 nan 4.420 nan 0.000 0.274 307 P C -0.010 177.297 177.300 0.012 0.000 1.256 307 P CA 0.423 63.547 63.100 0.040 0.000 0.795 307 P CB 1.029 32.691 31.700 -0.064 0.000 1.038 308 G N -0.802 107.862 108.800 -0.227 0.000 2.694 308 G HA2 0.580 4.540 3.960 0.000 0.000 0.246 308 G HA3 0.580 4.540 3.960 0.000 0.000 0.246 308 G C -2.036 172.100 174.900 -1.273 0.000 1.205 308 G CA -0.467 44.178 45.100 -0.758 0.000 0.891 308 G HN 0.420 nan 8.290 nan 0.000 0.515 309 Y N -0.166 119.525 120.300 -1.015 0.000 2.588 309 Y HA 0.550 5.100 4.550 0.000 0.000 0.343 309 Y C 0.036 175.481 175.900 -0.758 0.000 1.065 309 Y CA -0.921 56.672 58.100 -0.845 0.000 1.038 309 Y CB 1.748 39.555 38.460 -1.089 0.000 1.297 309 Y HN 0.355 nan 8.280 nan 0.000 0.467 310 Q N 1.661 121.395 119.800 -0.109 0.000 2.288 310 Q HA 0.282 4.622 4.340 0.000 0.000 0.254 310 Q C 0.600 176.768 176.000 0.281 0.000 0.932 310 Q CA -0.280 55.561 55.803 0.064 0.000 0.902 310 Q CB 1.559 30.351 28.738 0.090 0.000 1.203 310 Q HN 0.765 nan 8.270 nan 0.000 0.415 311 L N 1.323 122.746 121.223 0.332 0.000 2.083 311 L HA -0.256 4.084 4.340 0.000 0.000 0.209 311 L C 2.508 179.468 176.870 0.149 0.000 1.083 311 L CA 1.601 56.619 54.840 0.296 0.000 0.752 311 L CB -0.455 41.705 42.059 0.168 0.000 0.899 311 L HN 0.742 nan 8.230 nan 0.000 0.433 312 S N 0.228 116.000 115.700 0.120 0.000 2.348 312 S HA -0.200 4.270 4.470 0.000 0.000 0.221 312 S C 1.386 176.029 174.600 0.072 0.000 1.033 312 S CA 1.486 59.731 58.200 0.075 0.000 1.010 312 S CB -0.328 62.912 63.200 0.066 0.000 0.891 312 S HN 0.647 nan 8.310 nan 0.000 0.442 313 D N -1.187 119.268 120.400 0.092 0.000 2.520 313 D HA 0.268 4.908 4.640 0.000 0.000 0.223 313 D C 1.235 177.596 176.300 0.101 0.000 1.186 313 D CA 0.440 54.487 54.000 0.078 0.000 0.821 313 D CB -0.295 40.542 40.800 0.061 0.000 1.072 313 D HN 0.691 nan 8.370 nan 0.000 0.518 314 G N 0.988 109.887 108.800 0.165 0.000 2.155 314 G HA2 -0.298 3.662 3.960 0.000 0.000 0.257 314 G HA3 -0.298 3.662 3.960 0.000 0.000 0.257 314 G C 0.423 175.420 174.900 0.161 0.000 0.983 314 G CA 0.653 45.872 45.100 0.198 0.000 0.676 314 G HN 0.899 nan 8.290 nan 0.000 0.528 315 S N -0.747 115.031 115.700 0.129 0.000 2.592 315 S HA 0.611 5.081 4.470 0.000 0.000 0.271 315 S C 0.517 175.187 174.600 0.117 0.000 1.326 315 S CA 0.411 58.681 58.200 0.116 0.000 1.024 315 S CB 1.814 65.057 63.200 0.071 0.000 0.921 315 S HN 1.245 nan 8.310 nan 0.000 0.527 316 R N 1.220 121.776 120.500 0.093 0.000 2.489 316 R HA 0.354 4.694 4.340 0.000 0.000 0.287 316 R C -0.766 175.477 176.300 -0.095 0.000 1.053 316 R CA -0.180 55.886 56.100 -0.057 0.000 1.036 316 R CB -0.567 29.720 30.300 -0.022 0.000 0.966 316 R HN 0.667 nan 8.270 nan 0.000 0.432 317 V N 5.298 125.102 119.914 -0.183 0.000 2.313 317 V HA 0.542 4.662 4.120 0.000 0.000 0.278 317 V C 1.201 177.269 176.094 -0.043 0.000 1.017 317 V CA -0.105 62.169 62.300 -0.044 0.000 0.823 317 V CB 1.351 33.231 31.823 0.096 0.000 1.010 317 V HN 1.054 nan 8.190 nan 0.000 0.443 318 G N 3.371 112.159 108.800 -0.020 0.000 2.522 318 G HA2 0.425 4.385 3.960 0.000 0.000 0.304 318 G HA3 0.425 4.385 3.960 0.000 0.000 0.304 318 G C 0.867 175.779 174.900 0.019 0.000 1.210 318 G CA -0.707 44.386 45.100 -0.012 0.000 0.960 318 G HN 0.436 nan 8.290 nan 0.000 0.497 319 M N 0.868 120.485 119.600 0.029 0.000 2.267 319 M HA -0.085 4.395 4.480 0.000 0.000 0.263 319 M C 2.150 178.469 176.300 0.032 0.000 1.063 319 M CA 1.215 56.545 55.300 0.049 0.000 1.090 319 M CB -0.951 31.689 32.600 0.066 0.000 1.392 319 M HN 0.769 nan 8.290 nan 0.000 0.422 320 D N -0.692 119.719 120.400 0.018 0.000 2.264 320 D HA -0.127 4.513 4.640 0.000 0.000 0.208 320 D C 0.545 176.843 176.300 -0.003 0.000 0.966 320 D CA 0.505 54.507 54.000 0.003 0.000 0.864 320 D CB -0.507 40.295 40.800 0.003 0.000 0.933 320 D HN 0.281 nan 8.370 nan 0.000 0.499 321 D N 0.560 120.962 120.400 0.004 0.000 2.350 321 D HA 0.019 4.659 4.640 0.000 0.000 0.249 321 D C 1.219 177.510 176.300 -0.015 0.000 1.119 321 D CA -0.422 53.576 54.000 -0.003 0.000 0.886 321 D CB 1.170 41.976 40.800 0.010 0.000 1.195 321 D HN -0.179 nan 8.370 nan 0.000 0.437 322 R N 2.891 123.375 120.500 -0.027 0.000 2.170 322 R HA -0.138 4.202 4.340 0.000 0.000 0.242 322 R C 1.817 178.084 176.300 -0.056 0.000 1.145 322 R CA 0.914 56.992 56.100 -0.037 0.000 0.984 322 R CB -0.120 30.159 30.300 -0.035 0.000 0.869 322 R HN 0.518 nan 8.270 nan 0.000 0.455 323 R N -0.283 120.156 120.500 -0.101 0.000 2.237 323 R HA -0.021 4.319 4.340 0.000 0.000 0.219 323 R C 1.896 178.064 176.300 -0.220 0.000 1.080 323 R CA 0.908 56.867 56.100 -0.235 0.000 0.995 323 R CB -0.116 30.029 30.300 -0.258 0.000 0.875 323 R HN 0.125 nan 8.270 nan 0.000 0.462 324 A N 0.895 123.672 122.820 -0.072 0.000 2.206 324 A HA -0.054 4.266 4.320 0.000 0.000 0.211 324 A C 0.596 178.228 177.584 0.080 0.000 1.158 324 A CA 0.524 52.565 52.037 0.005 0.000 0.761 324 A CB -0.013 19.021 19.000 0.058 0.000 0.801 324 A HN 0.143 nan 8.150 nan 0.000 0.473 325 N N -0.106 118.638 118.700 0.073 0.000 2.716 325 N HA 0.300 5.040 4.740 0.000 0.000 0.253 325 N C -1.676 173.910 175.510 0.127 0.000 1.170 325 N CA -0.387 52.746 53.050 0.139 0.000 0.807 325 N CB 0.298 38.867 38.487 0.136 0.000 1.183 325 N HN 0.334 nan 8.380 nan 0.000 0.524 326 H N 2.285 121.381 119.070 0.043 0.000 2.877 326 H HA 0.453 5.009 4.556 0.000 0.000 0.347 326 H C -1.484 173.948 175.328 0.173 0.000 1.042 326 H CA -0.495 55.514 56.048 -0.066 0.000 1.276 326 H CB 0.422 29.950 29.762 -0.390 0.000 1.681 326 H HN 0.095 nan 8.280 nan 0.000 0.521 327 F N 6.057 125.653 119.950 -0.591 0.000 2.385 327 F HA 0.214 4.741 4.527 0.000 0.000 0.360 327 F C 0.448 175.962 175.800 -0.477 0.000 1.122 327 F CA -0.760 57.069 58.000 -0.287 0.000 1.090 327 F CB 0.190 39.128 39.000 -0.104 0.000 1.150 327 F HN 0.639 nan 8.300 nan 0.000 0.472 328 F N 1.500 121.525 119.950 0.124 0.000 2.234 328 F HA -0.168 4.359 4.527 0.000 0.000 0.299 328 F C 1.388 177.465 175.800 0.463 0.000 1.087 328 F CA 1.082 59.239 58.000 0.262 0.000 1.340 328 F CB -0.192 39.030 39.000 0.370 0.000 1.031 328 F HN 0.570 nan 8.300 nan 0.000 0.500 329 W N 0.948 122.518 121.300 0.449 0.000 5.963 329 W HA -0.209 4.451 4.660 0.000 0.000 0.400 329 W C -0.674 176.238 176.519 0.654 0.000 1.530 329 W CA 0.044 57.716 57.345 0.545 0.000 1.004 329 W CB -1.092 28.619 29.460 0.419 0.000 2.706 329 W HN 0.046 nan 8.180 nan 0.000 1.495 330 A N 2.100 125.303 122.820 0.638 0.000 2.455 330 A HA 0.526 4.846 4.320 0.000 0.000 0.300 330 A C -0.090 177.790 177.584 0.493 0.000 1.040 330 A CA -0.158 52.206 52.037 0.545 0.000 0.697 330 A CB 0.889 20.172 19.000 0.471 0.000 1.265 330 A HN 0.346 nan 8.150 nan 0.000 0.407 331 N N 0.932 119.863 118.700 0.384 0.000 2.294 331 N HA 0.133 4.873 4.740 0.000 0.000 0.248 331 N C 0.952 176.250 175.510 -0.353 0.000 1.300 331 N CA 0.218 53.335 53.050 0.112 0.000 0.925 331 N CB 0.274 38.861 38.487 0.167 0.000 1.188 331 N HN 0.600 nan 8.380 nan 0.000 0.512 332 V N -0.476 118.755 119.914 -1.138 0.000 2.392 332 V HA -0.172 3.948 4.120 0.000 0.000 0.249 332 V C 1.212 176.957 176.094 -0.581 0.000 1.059 332 V CA 1.707 63.022 62.300 -1.643 0.000 1.051 332 V CB -0.937 29.644 31.823 -2.071 0.000 0.658 332 V HN 0.582 nan 8.190 nan 0.000 0.455 333 F N -0.024 119.888 119.950 -0.064 0.000 2.710 333 F HA 0.142 4.669 4.527 0.000 0.000 0.298 333 F C 1.850 177.728 175.800 0.130 0.000 1.137 333 F CA 0.697 58.770 58.000 0.123 0.000 1.444 333 F CB -0.210 38.834 39.000 0.073 0.000 1.111 333 F HN 0.264 nan 8.300 nan 0.000 0.580 334 D N -2.298 118.244 120.400 0.237 0.000 2.398 334 D HA -0.044 4.596 4.640 0.000 0.000 0.210 334 D C 1.731 178.166 176.300 0.224 0.000 1.094 334 D CA 0.166 54.302 54.000 0.227 0.000 0.839 334 D CB -0.144 40.791 40.800 0.225 0.000 0.963 334 D HN 0.235 nan 8.370 nan 0.000 0.506 335 Y N 2.058 122.395 120.300 0.062 0.000 2.163 335 Y HA -0.155 4.395 4.550 0.000 0.000 0.288 335 Y C 2.267 178.230 175.900 0.105 0.000 1.136 335 Y CA 1.663 59.800 58.100 0.062 0.000 1.147 335 Y CB 0.232 38.670 38.460 -0.036 0.000 0.987 335 Y HN -0.217 nan 8.280 nan 0.000 0.509 336 K N 0.404 120.929 120.400 0.208 0.000 2.063 336 K HA -0.286 4.034 4.320 0.000 0.000 0.208 336 K C 2.206 178.840 176.600 0.056 0.000 1.048 336 K CA 1.972 58.362 56.287 0.173 0.000 0.928 336 K CB -0.285 32.350 32.500 0.226 0.000 0.713 336 K HN 0.516 nan 8.250 nan 0.000 0.442 337 E N -0.266 119.989 120.200 0.092 0.000 2.110 337 E HA -0.184 4.166 4.350 0.000 0.000 0.193 337 E C 1.738 178.395 176.600 0.095 0.000 0.988 337 E CA 0.994 57.449 56.400 0.091 0.000 0.804 337 E CB -0.115 29.656 29.700 0.117 0.000 0.745 337 E HN 0.432 nan 8.360 nan 0.000 0.458 338 A N 1.036 123.912 122.820 0.093 0.000 1.933 338 A HA -0.087 4.233 4.320 0.000 0.000 0.218 338 A C 2.345 180.058 177.584 0.214 0.000 1.175 338 A CA 1.725 53.877 52.037 0.191 0.000 0.628 338 A CB -0.642 18.533 19.000 0.291 0.000 0.814 338 A HN 0.414 nan 8.150 nan 0.000 0.444 339 A N -0.877 121.929 122.820 -0.024 0.000 1.929 339 A HA -0.128 4.192 4.320 0.000 0.000 0.216 339 A C 2.093 179.786 177.584 0.181 0.000 1.176 339 A CA 1.450 53.563 52.037 0.127 0.000 0.628 339 A CB -0.475 18.506 19.000 -0.032 0.000 0.816 339 A HN 0.619 nan 8.150 nan 0.000 0.444 340 Q N -0.643 119.216 119.800 0.097 0.000 2.124 340 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 340 Q C 2.047 178.105 176.000 0.097 0.000 0.977 340 Q CA 1.462 57.315 55.803 0.083 0.000 0.850 340 Q CB -0.179 28.582 28.738 0.038 0.000 0.901 340 Q HN 0.855 nan 8.270 nan 0.000 0.429 341 E N 1.058 121.322 120.200 0.108 0.000 2.130 341 E HA -0.221 4.129 4.350 0.000 0.000 0.196 341 E C 1.573 178.219 176.600 0.076 0.000 0.998 341 E CA 1.476 57.937 56.400 0.101 0.000 0.806 341 E CB -0.081 29.700 29.700 0.135 0.000 0.738 341 E HN 0.589 nan 8.360 nan 0.000 0.459 342 I N -2.515 118.099 120.570 0.074 0.000 3.976 342 I HA 0.223 4.393 4.170 0.000 0.000 0.337 342 I C -0.166 176.017 176.117 0.112 0.000 1.359 342 I CA -0.085 61.221 61.300 0.010 0.000 1.098 342 I CB 0.364 38.232 38.000 -0.220 0.000 1.027 342 I HN -0.145 nan 8.210 nan 0.000 0.394 343 D N 1.943 122.436 120.400 0.154 0.000 2.812 343 D HA -0.290 4.350 4.640 0.000 0.000 0.237 343 D C -0.978 175.484 176.300 0.270 0.000 1.162 343 D CA 0.928 55.033 54.000 0.175 0.000 0.740 343 D CB -1.070 39.802 40.800 0.119 0.000 1.000 343 D HN 0.568 nan 8.370 nan 0.000 0.416 344 F N 1.862 121.905 119.950 0.154 0.000 2.581 344 F HA 0.646 5.173 4.527 0.000 0.000 0.311 344 F C -1.283 174.713 175.800 0.328 0.000 1.113 344 F CA -0.980 57.121 58.000 0.168 0.000 0.935 344 F CB 1.118 40.197 39.000 0.132 0.000 1.232 344 F HN -0.034 nan 8.300 nan 0.000 0.445 345 F N 2.125 121.817 119.950 -0.431 0.000 2.629 345 F HA 0.628 5.155 4.527 0.000 0.000 0.316 345 F C -0.378 175.121 175.800 -0.503 0.000 1.081 345 F CA -0.868 57.008 58.000 -0.207 0.000 0.954 345 F CB 1.204 40.213 39.000 0.015 0.000 1.337 345 F HN 0.371 nan 8.300 nan 0.000 0.474 346 D N 0.140 120.613 120.400 0.122 0.000 2.269 346 D HA 0.147 4.787 4.640 0.000 0.000 0.220 346 D C -0.543 176.017 176.300 0.433 0.000 0.962 346 D CA 1.835 55.972 54.000 0.228 0.000 0.884 346 D CB 0.214 41.300 40.800 0.477 0.000 1.023 346 D HN 0.422 nan 8.370 nan 0.000 0.484 347 F N -1.503 118.649 119.950 0.337 0.000 2.686 347 F HA 0.559 5.086 4.527 0.000 0.000 0.311 347 F C -1.616 174.363 175.800 0.298 0.000 1.128 347 F CA -1.578 56.611 58.000 0.314 0.000 0.946 347 F CB 1.109 40.253 39.000 0.240 0.000 1.336 347 F HN -0.478 nan 8.300 nan 0.000 0.457 348 R N 1.390 121.945 120.500 0.090 0.000 2.294 348 R HA 0.245 4.585 4.340 0.000 0.000 0.319 348 R C -0.495 175.727 176.300 -0.130 0.000 0.984 348 R CA -0.916 55.092 56.100 -0.153 0.000 0.861 348 R CB 0.812 31.057 30.300 -0.092 0.000 1.104 348 R HN 0.701 nan 8.270 nan 0.000 0.451 349 H N 2.004 120.843 119.070 -0.385 0.000 2.964 349 H HA -0.031 4.525 4.556 0.000 0.000 0.328 349 H C 0.696 175.998 175.328 -0.044 0.000 1.030 349 H CA 0.558 56.513 56.048 -0.155 0.000 1.445 349 H CB 1.253 30.887 29.762 -0.213 0.000 1.449 349 H HN 0.837 nan 8.280 nan 0.000 0.581 350 A N 3.882 126.510 122.820 -0.319 0.000 2.015 350 A HA -0.115 4.205 4.320 0.000 0.000 0.219 350 A C 2.134 179.698 177.584 -0.034 0.000 1.163 350 A CA 1.730 53.684 52.037 -0.137 0.000 0.646 350 A CB -0.083 18.826 19.000 -0.151 0.000 0.806 350 A HN 0.757 nan 8.150 nan 0.000 0.448 351 T N -1.263 113.351 114.554 0.100 0.000 2.988 351 T HA -0.023 4.327 4.350 0.000 0.000 0.240 351 T C 2.166 176.893 174.700 0.046 0.000 1.014 351 T CA 1.570 63.757 62.100 0.145 0.000 1.155 351 T CB -0.301 68.692 68.868 0.208 0.000 0.872 351 T HN 0.703 nan 8.240 nan 0.000 0.440 352 T N -0.674 113.849 114.554 -0.052 0.000 3.054 352 T HA 0.316 4.666 4.350 0.000 0.000 0.259 352 T C 1.982 176.443 174.700 -0.398 0.000 1.092 352 T CA 1.135 62.781 62.100 -0.756 0.000 1.121 352 T CB -0.357 67.660 68.868 -1.420 0.000 0.912 352 T HN 0.543 nan 8.240 nan 0.000 0.489 353 G N 1.536 110.248 108.800 -0.147 0.000 2.189 353 G HA2 -0.130 3.830 3.960 0.000 0.000 0.267 353 G HA3 -0.130 3.830 3.960 0.000 0.000 0.267 353 G C 0.366 175.158 174.900 -0.181 0.000 0.975 353 G CA 0.144 45.175 45.100 -0.115 0.000 0.644 353 G HN 1.286 nan 8.290 nan 0.000 0.537 354 A N 0.183 122.855 122.820 -0.246 0.000 2.462 354 A HA 0.721 5.041 4.320 0.000 0.000 0.243 354 A C 1.030 178.332 177.584 -0.471 0.000 1.076 354 A CA 0.977 52.827 52.037 -0.311 0.000 0.773 354 A CB 0.376 19.183 19.000 -0.321 0.000 1.010 354 A HN 2.101 nan 8.150 nan 0.000 0.493 355 A N 2.482 124.956 122.820 -0.578 0.000 2.454 355 A HA 0.556 4.876 4.320 0.000 0.000 0.260 355 A C -0.078 177.128 177.584 -0.630 0.000 1.106 355 A CA 0.127 51.569 52.037 -0.991 0.000 0.780 355 A CB -0.273 17.714 19.000 -1.687 0.000 1.044 355 A HN 0.823 nan 8.150 nan 0.000 0.498 356 L N 4.142 124.996 121.223 -0.616 0.000 2.371 356 L HA 0.552 4.893 4.340 0.000 0.000 0.262 356 L C -2.365 174.296 176.870 -0.349 0.000 1.006 356 L CA -2.247 52.149 54.840 -0.739 0.000 0.818 356 L CB 2.965 44.206 42.059 -1.363 0.000 1.354 356 L HN 0.487 nan 8.230 nan 0.000 0.415 357 P HA 0.251 nan 4.420 nan 0.000 0.282 357 P C -1.569 175.744 177.300 0.022 0.000 1.259 357 P CA -0.715 62.370 63.100 -0.024 0.000 0.826 357 P CB 1.647 33.324 31.700 -0.038 0.000 1.064 358 K N 2.161 122.599 120.400 0.063 0.000 2.307 358 K HA 0.412 4.732 4.320 0.000 0.000 0.263 358 K C -0.925 175.471 176.600 -0.341 0.000 0.973 358 K CA -0.501 55.681 56.287 -0.176 0.000 0.846 358 K CB 0.139 32.398 32.500 -0.402 0.000 1.100 358 K HN 0.242 nan 8.250 nan 0.000 0.438 359 L N 3.871 124.824 121.223 -0.450 0.000 2.325 359 L HA 0.493 4.833 4.340 0.000 0.000 0.279 359 L C -0.506 175.958 176.870 -0.676 0.000 1.054 359 L CA -0.402 54.061 54.840 -0.628 0.000 0.804 359 L CB 1.325 42.969 42.059 -0.692 0.000 1.200 359 L HN 0.747 nan 8.230 nan 0.000 0.436 360 Q N 0.556 119.914 119.800 -0.738 0.000 2.323 360 Q HA 0.332 4.672 4.340 0.000 0.000 0.271 360 Q C -0.746 174.687 176.000 -0.944 0.000 1.048 360 Q CA -0.796 54.513 55.803 -0.823 0.000 0.792 360 Q CB 1.437 29.718 28.738 -0.762 0.000 1.280 360 Q HN 0.655 nan 8.270 nan 0.000 0.441 361 H N -0.455 118.455 119.070 -0.267 0.000 1.736 361 H HA -0.152 4.404 4.556 0.000 0.000 0.327 361 H C -2.201 172.939 175.328 -0.314 0.000 0.823 361 H CA 0.027 55.935 56.048 -0.234 0.000 1.082 361 H CB -1.152 28.559 29.762 -0.086 0.000 1.537 361 H HN 0.372 nan 8.280 nan 0.000 0.284 362 P HA 0.088 nan 4.420 nan 0.000 0.214 362 P C 0.161 177.295 177.300 -0.275 0.000 1.807 362 P CA -0.248 62.534 63.100 -0.530 0.000 0.921 362 P CB 0.552 31.481 31.700 -1.285 0.000 1.835 363 E N 1.159 121.306 120.200 -0.088 0.000 2.077 363 E HA -0.161 4.189 4.350 0.000 0.000 0.193 363 E C 2.241 178.764 176.600 -0.128 0.000 0.989 363 E CA 1.894 58.290 56.400 -0.007 0.000 0.800 363 E CB -0.810 28.907 29.700 0.027 0.000 0.746 363 E HN 0.317 nan 8.360 nan 0.000 0.452 364 A N 0.910 123.615 122.820 -0.192 0.000 1.877 364 A HA -0.236 4.084 4.320 0.000 0.000 0.216 364 A C 1.934 178.967 177.584 -0.919 0.000 1.186 364 A CA 1.821 53.651 52.037 -0.344 0.000 0.620 364 A CB -0.504 18.398 19.000 -0.163 0.000 0.822 364 A HN 0.167 nan 8.150 nan 0.000 0.443 365 E N -0.662 118.956 120.200 -0.969 0.000 2.208 365 E HA -0.050 4.300 4.350 0.000 0.000 0.193 365 E C 1.943 178.267 176.600 -0.459 0.000 0.988 365 E CA 1.435 57.035 56.400 -1.334 0.000 0.828 365 E CB -0.361 29.008 29.700 -0.552 0.000 0.763 365 E HN 0.575 nan 8.360 nan 0.000 0.478 366 T N 0.441 114.936 114.554 -0.099 0.000 2.812 366 T HA -0.076 4.274 4.350 0.000 0.000 0.264 366 T C 1.359 176.191 174.700 0.219 0.000 1.042 366 T CA 0.623 62.845 62.100 0.203 0.000 1.140 366 T CB -0.323 68.749 68.868 0.341 0.000 0.870 366 T HN 0.135 nan 8.240 nan 0.000 0.445 367 F N 1.229 121.148 119.950 -0.053 0.000 2.216 367 F HA 0.060 4.587 4.527 0.000 0.000 0.300 367 F C 0.270 176.144 175.800 0.123 0.000 1.085 367 F CA -0.286 57.724 58.000 0.016 0.000 1.326 367 F CB -0.324 38.616 39.000 -0.100 0.000 1.027 367 F HN 0.134 nan 8.300 nan 0.000 0.497 368 W N 1.453 122.724 121.300 -0.048 0.000 2.343 368 W HA 0.324 4.984 4.660 0.000 0.000 0.337 368 W C 1.527 177.833 176.519 -0.355 0.000 1.320 368 W CA 0.598 57.758 57.345 -0.308 0.000 1.290 368 W CB -0.925 28.233 29.460 -0.503 0.000 1.206 368 W HN 0.399 nan 8.180 nan 0.000 0.565 369 G N 1.776 110.504 108.800 -0.120 0.000 2.205 369 G HA2 -0.323 3.637 3.960 0.000 0.000 0.261 369 G HA3 -0.323 3.637 3.960 0.000 0.000 0.261 369 G C 0.548 175.426 174.900 -0.036 0.000 0.980 369 G CA 0.380 45.448 45.100 -0.054 0.000 0.632 369 G HN 0.817 nan 8.290 nan 0.000 0.533 370 S N -0.472 115.168 115.700 -0.099 0.000 2.589 370 S HA 0.494 4.964 4.470 0.000 0.000 0.265 370 S C 1.643 176.176 174.600 -0.111 0.000 1.342 370 S CA 0.102 58.249 58.200 -0.089 0.000 1.005 370 S CB 1.855 65.004 63.200 -0.085 0.000 0.909 370 S HN 0.842 nan 8.310 nan 0.000 0.555 371 V N 1.898 121.755 119.914 -0.096 0.000 2.332 371 V HA -0.214 3.906 4.120 0.000 0.000 0.248 371 V C 2.372 178.386 176.094 -0.133 0.000 1.055 371 V CA 2.462 64.680 62.300 -0.136 0.000 1.038 371 V CB -1.490 30.215 31.823 -0.196 0.000 0.651 371 V HN 0.966 nan 8.190 nan 0.000 0.450 372 H N -0.664 118.410 119.070 0.007 0.000 2.326 372 H HA -0.122 4.434 4.556 0.000 0.000 0.301 372 H C 2.483 177.809 175.328 -0.003 0.000 1.081 372 H CA 1.535 57.646 56.048 0.105 0.000 1.334 372 H CB 0.011 29.980 29.762 0.345 0.000 1.385 372 H HN 0.325 nan 8.280 nan 0.000 0.504 373 E N 1.229 121.247 120.200 -0.304 0.000 2.085 373 E HA -0.195 4.155 4.350 0.000 0.000 0.194 373 E C 1.931 178.508 176.600 -0.038 0.000 0.994 373 E CA 0.898 57.083 56.400 -0.359 0.000 0.801 373 E CB 0.134 29.373 29.700 -0.769 0.000 0.743 373 E HN 0.352 nan 8.360 nan 0.000 0.453 374 R N 0.512 120.986 120.500 -0.042 0.000 2.189 374 R HA 0.001 4.341 4.340 0.000 0.000 0.223 374 R C 1.489 177.788 176.300 -0.002 0.000 1.092 374 R CA 0.473 56.571 56.100 -0.003 0.000 0.989 374 R CB -0.486 29.810 30.300 -0.008 0.000 0.876 374 R HN 0.233 nan 8.270 nan 0.000 0.457 375 N N 0.063 118.773 118.700 0.017 0.000 2.322 375 N HA 0.008 4.748 4.740 0.000 0.000 0.194 375 N C 0.604 176.152 175.510 0.063 0.000 1.126 375 N CA 0.788 53.856 53.050 0.031 0.000 0.845 375 N CB 0.851 39.358 38.487 0.032 0.000 0.976 375 N HN 0.362 nan 8.380 nan 0.000 0.475 376 G N 0.345 109.190 108.800 0.076 0.000 2.143 376 G HA2 -0.260 3.700 3.960 0.000 0.000 0.249 376 G HA3 -0.260 3.700 3.960 0.000 0.000 0.249 376 G C 0.116 175.116 174.900 0.167 0.000 0.981 376 G CA 0.121 45.275 45.100 0.089 0.000 0.665 376 G HN 0.164 nan 8.290 nan 0.000 0.528 377 V N 0.288 120.352 119.914 0.250 0.000 2.732 377 V HA 0.760 4.880 4.120 0.000 0.000 0.297 377 V C 0.806 177.169 176.094 0.448 0.000 1.060 377 V CA 0.310 62.801 62.300 0.318 0.000 1.038 377 V CB 1.473 33.530 31.823 0.390 0.000 1.003 377 V HN 1.345 nan 8.190 nan 0.000 0.481 378 A N 1.767 124.762 122.820 0.292 0.000 2.479 378 A HA 0.487 4.807 4.320 0.000 0.000 0.296 378 A C 0.916 178.495 177.584 -0.009 0.000 1.121 378 A CA -0.177 51.998 52.037 0.230 0.000 0.743 378 A CB 0.962 20.088 19.000 0.210 0.000 1.323 378 A HN 0.867 nan 8.150 nan 0.000 0.415 379 C N 0.154 119.373 119.300 -0.136 0.000 2.391 379 C HA -0.114 4.346 4.460 0.000 0.000 0.276 379 C C 3.001 177.974 174.990 -0.029 0.000 1.217 379 C CA 1.715 60.638 59.018 -0.158 0.000 1.766 379 C CB -1.712 25.938 27.740 -0.151 0.000 2.046 379 C HN 0.947 nan 8.230 nan 0.000 0.475 380 A N 0.723 123.535 122.820 -0.012 0.000 2.015 380 A HA -0.168 4.152 4.320 0.000 0.000 0.219 380 A C 1.794 179.366 177.584 -0.019 0.000 1.163 380 A CA 1.916 53.948 52.037 -0.009 0.000 0.646 380 A CB -0.503 18.491 19.000 -0.012 0.000 0.806 380 A HN 0.597 nan 8.150 nan 0.000 0.448 381 D N -0.481 119.911 120.400 -0.014 0.000 2.144 381 D HA -0.120 4.520 4.640 0.000 0.000 0.199 381 D C 1.738 177.998 176.300 -0.066 0.000 0.984 381 D CA 1.562 55.553 54.000 -0.015 0.000 0.834 381 D CB -0.272 40.544 40.800 0.027 0.000 0.955 381 D HN 0.504 nan 8.370 nan 0.000 0.465 382 C N -0.707 118.506 119.300 -0.145 0.000 2.791 382 C HA 0.127 4.587 4.460 0.000 0.000 0.288 382 C C 1.957 176.712 174.990 -0.391 0.000 1.271 382 C CA -0.182 58.658 59.018 -0.296 0.000 1.726 382 C CB -0.358 27.119 27.740 -0.438 0.000 2.145 382 C HN 0.401 nan 8.230 nan 0.000 0.572 383 H N 0.019 119.039 119.070 -0.084 0.000 2.885 383 H HA 0.247 4.803 4.556 0.000 0.000 0.260 383 H C 0.711 175.988 175.328 -0.085 0.000 0.985 383 H CA 0.656 56.647 56.048 -0.096 0.000 1.210 383 H CB 0.303 29.991 29.762 -0.124 0.000 1.466 383 H HN 0.522 nan 8.280 nan 0.000 0.493 384 M N 0.136 119.745 119.600 0.015 0.000 3.432 384 M HA 0.399 4.879 4.480 0.000 0.000 0.390 384 M C -3.348 172.928 176.300 -0.039 0.000 1.811 384 M CA -1.740 53.547 55.300 -0.021 0.000 0.536 384 M CB 2.415 34.984 32.600 -0.052 0.000 1.681 384 M HN -0.296 nan 8.290 nan 0.000 0.462 385 P HA 0.291 nan 4.420 nan 0.000 0.276 385 P C -0.746 176.516 177.300 -0.062 0.000 1.261 385 P CA -0.105 62.968 63.100 -0.044 0.000 0.800 385 P CB 0.798 32.471 31.700 -0.045 0.000 1.066 386 K N 0.015 120.379 120.400 -0.060 0.000 2.414 386 K HA 0.184 4.504 4.320 0.000 0.000 0.272 386 K C -0.112 176.398 176.600 -0.151 0.000 0.993 386 K CA -0.357 55.872 56.287 -0.097 0.000 0.964 386 K CB 0.077 32.543 32.500 -0.057 0.000 0.925 386 K HN 0.181 nan 8.250 nan 0.000 0.487 387 V N 2.437 122.180 119.914 -0.284 0.000 2.614 387 V HA 0.134 4.254 4.120 0.000 0.000 0.291 387 V C 0.568 176.566 176.094 -0.160 0.000 1.049 387 V CA -0.154 61.974 62.300 -0.287 0.000 1.038 387 V CB 1.037 32.523 31.823 -0.562 0.000 0.980 387 V HN 0.840 nan 8.190 nan 0.000 0.481 388 Q N 5.159 124.903 119.800 -0.093 0.000 2.290 388 Q HA 0.740 5.081 4.340 0.000 0.000 0.259 388 Q C -1.037 174.946 176.000 -0.028 0.000 0.941 388 Q CA -0.416 55.359 55.803 -0.047 0.000 0.912 388 Q CB 1.296 30.017 28.738 -0.028 0.000 1.244 388 Q HN 0.745 nan 8.270 nan 0.000 0.441 389 L N 1.794 123.012 121.223 -0.010 0.000 2.386 389 L HA 0.385 4.725 4.340 0.000 0.000 0.271 389 L C 0.995 177.874 176.870 0.015 0.000 0.993 389 L CA -0.754 54.093 54.840 0.012 0.000 0.819 389 L CB 2.363 44.442 42.059 0.033 0.000 1.294 389 L HN 0.901 nan 8.230 nan 0.000 0.414 390 E N 1.170 121.380 120.200 0.017 0.000 2.118 390 E HA -0.075 4.275 4.350 0.000 0.000 0.195 390 E C -0.156 176.456 176.600 0.020 0.000 0.992 390 E CA 1.110 57.520 56.400 0.016 0.000 0.804 390 E CB 0.168 29.877 29.700 0.016 0.000 0.741 390 E HN 0.463 nan 8.360 nan 0.000 0.458 391 N N -0.396 118.319 118.700 0.025 0.000 2.549 391 N HA 0.411 5.151 4.740 0.000 0.000 0.290 391 N C -0.746 174.787 175.510 0.038 0.000 1.122 391 N CA -0.022 53.044 53.050 0.028 0.000 0.885 391 N CB 2.023 40.525 38.487 0.025 0.000 1.455 391 N HN 0.158 nan 8.380 nan 0.000 0.521 392 G N 0.659 109.485 108.800 0.043 0.000 2.316 392 G HA2 0.087 4.047 3.960 0.000 0.000 0.296 392 G HA3 0.087 4.047 3.960 0.000 0.000 0.296 392 G C -1.752 173.189 174.900 0.069 0.000 1.399 392 G CA -0.867 44.269 45.100 0.061 0.000 0.833 392 G HN 0.361 nan 8.290 nan 0.000 0.565 393 K N 0.752 121.207 120.400 0.090 0.000 2.312 393 K HA 0.535 4.855 4.320 0.000 0.000 0.287 393 K C 0.339 177.032 176.600 0.155 0.000 1.062 393 K CA -0.524 55.823 56.287 0.101 0.000 0.934 393 K CB 0.907 33.462 32.500 0.092 0.000 1.027 393 K HN 0.325 nan 8.250 nan 0.000 0.478 394 V N 5.936 125.916 119.914 0.110 0.000 2.740 394 V HA 0.067 4.187 4.120 0.000 0.000 0.303 394 V C -0.271 175.928 176.094 0.176 0.000 1.054 394 V CA 0.132 62.482 62.300 0.084 0.000 1.106 394 V CB -0.336 31.504 31.823 0.028 0.000 0.957 394 V HN 0.790 nan 8.190 nan 0.000 0.486 395 Y N 0.996 121.325 120.300 0.049 0.000 2.644 395 Y HA 0.713 5.264 4.550 0.000 0.000 0.338 395 Y C -0.272 175.677 175.900 0.083 0.000 1.119 395 Y CA -1.336 56.802 58.100 0.063 0.000 1.060 395 Y CB 1.219 39.718 38.460 0.064 0.000 1.294 395 Y HN 0.369 nan 8.280 nan 0.000 0.472 396 T N 1.961 116.637 114.554 0.204 0.000 2.771 396 T HA 0.268 4.618 4.350 0.000 0.000 0.291 396 T C -0.064 174.789 174.700 0.256 0.000 0.954 396 T CA -0.451 61.723 62.100 0.123 0.000 1.045 396 T CB 0.795 69.761 68.868 0.164 0.000 0.917 396 T HN 0.753 nan 8.240 nan 0.000 0.484 397 S N 1.986 117.707 115.700 0.035 0.000 2.546 397 S HA -0.022 4.448 4.470 0.000 0.000 0.290 397 S C 0.400 175.134 174.600 0.223 0.000 1.290 397 S CA -0.107 58.183 58.200 0.149 0.000 1.069 397 S CB 0.055 63.265 63.200 0.016 0.000 0.846 397 S HN 0.736 nan 8.310 nan 0.000 0.495 398 H N 2.357 121.531 119.070 0.173 0.000 2.505 398 H HA 0.327 4.883 4.556 0.000 0.000 0.286 398 H C 0.288 175.718 175.328 0.170 0.000 1.072 398 H CA 0.024 56.188 56.048 0.193 0.000 1.141 398 H CB 0.441 30.346 29.762 0.239 0.000 1.550 398 H HN 0.398 nan 8.280 nan 0.000 0.547 399 S N 1.469 117.254 115.700 0.142 0.000 2.642 399 S HA 0.137 4.607 4.470 0.000 0.000 0.309 399 S C -0.256 174.335 174.600 -0.016 0.000 1.125 399 S CA -0.728 57.480 58.200 0.012 0.000 1.055 399 S CB -0.099 63.084 63.200 -0.029 0.000 1.157 399 S HN 0.298 nan 8.310 nan 0.000 0.513 400 Q N 4.041 123.825 119.800 -0.026 0.000 2.307 400 Q HA 0.419 4.759 4.340 0.000 0.000 0.261 400 Q C 0.326 176.217 176.000 -0.182 0.000 1.051 400 Q CA 0.207 55.964 55.803 -0.076 0.000 0.911 400 Q CB 0.434 29.145 28.738 -0.046 0.000 1.227 400 Q HN 0.762 nan 8.270 nan 0.000 0.418 401 R N -0.502 119.952 120.500 -0.078 0.000 2.747 401 R HA 0.575 4.915 4.340 0.000 0.000 0.272 401 R C -0.756 175.590 176.300 0.076 0.000 1.032 401 R CA -1.018 55.036 56.100 -0.076 0.000 0.896 401 R CB 0.602 30.843 30.300 -0.098 0.000 1.253 401 R HN 0.323 nan 8.270 nan 0.000 0.461 402 T N 1.252 115.817 114.554 0.018 0.000 2.946 402 T HA 0.109 4.459 4.350 0.000 0.000 0.311 402 T C -1.305 173.372 174.700 -0.038 0.000 1.063 402 T CA -1.296 60.824 62.100 0.033 0.000 1.139 402 T CB 0.579 69.418 68.868 -0.048 0.000 0.994 402 T HN 0.505 nan 8.240 nan 0.000 0.547 403 P HA -0.067 nan 4.420 nan 0.000 0.225 403 P C 1.253 178.482 177.300 -0.117 0.000 1.148 403 P CA 0.836 63.842 63.100 -0.157 0.000 0.779 403 P CB 0.096 31.649 31.700 -0.245 0.000 0.780 404 R N 0.093 120.523 120.500 -0.117 0.000 2.170 404 R HA -0.136 4.204 4.340 0.000 0.000 0.242 404 R C 1.288 177.545 176.300 -0.072 0.000 1.145 404 R CA 1.472 57.514 56.100 -0.097 0.000 0.984 404 R CB -0.593 29.649 30.300 -0.096 0.000 0.869 404 R HN 0.224 nan 8.270 nan 0.000 0.455 405 D N -0.113 120.246 120.400 -0.068 0.000 2.355 405 D HA -0.033 4.607 4.640 0.000 0.000 0.218 405 D C 0.988 177.261 176.300 -0.045 0.000 1.004 405 D CA 0.847 54.814 54.000 -0.054 0.000 0.880 405 D CB 0.335 41.102 40.800 -0.057 0.000 0.911 405 D HN 0.307 nan 8.370 nan 0.000 0.528 406 M N -2.007 117.563 119.600 -0.049 0.000 4.568 406 M HA 0.256 4.736 4.480 0.000 0.000 0.533 406 M C 0.010 176.288 176.300 -0.036 0.000 2.143 406 M CA -0.260 55.017 55.300 -0.039 0.000 0.483 406 M CB 0.817 33.392 32.600 -0.041 0.000 1.438 406 M HN -0.312 nan 8.290 nan 0.000 0.591 407 M N 0.882 120.463 119.600 -0.031 0.000 2.213 407 M HA 0.022 4.502 4.480 0.000 0.000 0.263 407 M C 2.012 178.322 176.300 0.015 0.000 1.062 407 M CA 2.201 57.490 55.300 -0.017 0.000 1.105 407 M CB -1.234 31.354 32.600 -0.021 0.000 1.385 407 M HN 0.762 nan 8.290 nan 0.000 0.417 408 G N -0.227 108.581 108.800 0.012 0.000 2.446 408 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 408 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 408 G C 1.562 176.476 174.900 0.024 0.000 1.168 408 G CA 0.552 45.667 45.100 0.026 0.000 0.771 408 G HN 0.404 nan 8.290 nan 0.000 0.551 409 Q N -0.121 119.681 119.800 0.003 0.000 2.250 409 Q HA 0.211 4.551 4.340 0.000 0.000 0.200 409 Q C 2.445 178.443 176.000 -0.004 0.000 0.941 409 Q CA 0.973 56.773 55.803 -0.005 0.000 0.872 409 Q CB 0.099 28.821 28.738 -0.027 0.000 0.965 409 Q HN 0.459 nan 8.270 nan 0.000 0.480 410 A N -1.681 121.132 122.820 -0.012 0.000 2.345 410 A HA 0.195 4.515 4.320 0.000 0.000 0.225 410 A C 1.432 179.023 177.584 0.012 0.000 1.243 410 A CA 0.039 52.057 52.037 -0.031 0.000 0.875 410 A CB 0.043 18.992 19.000 -0.086 0.000 0.929 410 A HN 0.353 nan 8.150 nan 0.000 0.502 411 C N -2.803 116.543 119.300 0.078 0.000 3.671 411 C HA 0.190 4.650 4.460 0.000 0.000 0.401 411 C C 1.920 177.074 174.990 0.273 0.000 1.507 411 C CA 0.410 59.543 59.018 0.192 0.000 2.037 411 C CB -0.818 27.003 27.740 0.133 0.000 2.457 411 C HN 0.466 nan 8.230 nan 0.000 0.471 412 L N 1.747 123.086 121.223 0.194 0.000 2.291 412 L HA 0.013 4.353 4.340 0.000 0.000 0.214 412 L C 1.831 178.781 176.870 0.133 0.000 1.120 412 L CA 1.307 56.270 54.840 0.204 0.000 0.799 412 L CB -0.792 41.360 42.059 0.154 0.000 0.925 412 L HN 0.517 nan 8.230 nan 0.000 0.446 413 N N -0.547 118.205 118.700 0.086 0.000 2.166 413 N HA -0.177 4.563 4.740 0.000 0.000 0.186 413 N C 1.862 177.385 175.510 0.021 0.000 1.019 413 N CA 1.344 54.421 53.050 0.045 0.000 0.856 413 N CB -0.096 38.408 38.487 0.028 0.000 0.993 413 N HN 0.345 nan 8.380 nan 0.000 0.426 414 C N -0.295 119.014 119.300 0.015 0.000 2.492 414 C HA 0.017 4.477 4.460 0.000 0.000 0.279 414 C C 0.900 175.766 174.990 -0.207 0.000 1.335 414 C CA 0.097 59.053 59.018 -0.102 0.000 1.734 414 C CB -0.786 26.872 27.740 -0.137 0.000 2.027 414 C HN 0.457 nan 8.230 nan 0.000 0.496 415 H N 0.440 119.545 119.070 0.057 0.000 2.565 415 H HA 0.321 4.877 4.556 0.000 0.000 0.231 415 H C 1.155 176.500 175.328 0.027 0.000 1.692 415 H CA 0.301 56.346 56.048 -0.004 0.000 1.269 415 H CB 0.233 30.039 29.762 0.074 0.000 1.615 415 H HN 0.386 nan 8.280 nan 0.000 0.554 416 A N 2.018 124.868 122.820 0.051 0.000 2.070 416 A HA -0.155 4.165 4.320 0.000 0.000 0.220 416 A C 2.172 179.793 177.584 0.061 0.000 1.159 416 A CA 1.124 53.193 52.037 0.054 0.000 0.656 416 A CB -0.008 18.999 19.000 0.012 0.000 0.800 416 A HN 0.571 nan 8.150 nan 0.000 0.453 417 E N -1.670 118.536 120.200 0.011 0.000 2.482 417 E HA -0.106 4.244 4.350 0.000 0.000 0.196 417 E C -0.298 176.385 176.600 0.138 0.000 1.047 417 E CA 0.067 56.466 56.400 -0.002 0.000 0.869 417 E CB -0.100 29.521 29.700 -0.131 0.000 0.836 417 E HN 0.611 nan 8.360 nan 0.000 0.520 418 W N 2.326 123.667 121.300 0.069 0.000 2.627 418 W HA 0.336 4.996 4.660 0.000 0.000 0.339 418 W C 0.359 176.899 176.519 0.034 0.000 1.058 418 W CA -1.290 56.084 57.345 0.047 0.000 1.223 418 W CB 1.373 30.865 29.460 0.054 0.000 1.389 418 W HN -0.160 nan 8.180 nan 0.000 0.541 419 T N -2.025 112.661 114.554 0.221 0.000 2.816 419 T HA 0.127 4.477 4.350 0.000 0.000 0.282 419 T C 1.033 175.757 174.700 0.040 0.000 0.993 419 T CA -0.287 61.870 62.100 0.095 0.000 0.994 419 T CB 1.521 70.406 68.868 0.029 0.000 1.025 419 T HN 0.571 nan 8.240 nan 0.000 0.529 420 E N 0.274 120.483 120.200 0.014 0.000 2.070 420 E HA -0.247 4.103 4.350 0.000 0.000 0.197 420 E C 1.374 177.921 176.600 -0.088 0.000 1.004 420 E CA 1.765 58.150 56.400 -0.025 0.000 0.805 420 E CB -0.195 29.495 29.700 -0.017 0.000 0.744 420 E HN 0.690 nan 8.360 nan 0.000 0.451 421 D N 0.112 120.461 120.400 -0.085 0.000 2.149 421 D HA -0.168 4.472 4.640 0.000 0.000 0.198 421 D C 2.009 178.201 176.300 -0.180 0.000 0.990 421 D CA 1.061 54.997 54.000 -0.107 0.000 0.839 421 D CB -0.175 40.569 40.800 -0.095 0.000 0.948 421 D HN 0.358 nan 8.370 nan 0.000 0.460 422 Q N 0.028 119.668 119.800 -0.265 0.000 2.079 422 Q HA -0.019 4.321 4.340 0.000 0.000 0.200 422 Q C 2.207 177.690 176.000 -0.863 0.000 0.974 422 Q CA 1.260 56.769 55.803 -0.490 0.000 0.840 422 Q CB -0.060 28.385 28.738 -0.488 0.000 0.898 422 Q HN 0.216 nan 8.270 nan 0.000 0.430 423 A N 0.948 123.282 122.820 -0.810 0.000 1.902 423 A HA -0.153 4.167 4.320 0.000 0.000 0.217 423 A C 2.073 179.389 177.584 -0.446 0.000 1.181 423 A CA 1.056 52.594 52.037 -0.833 0.000 0.623 423 A CB -0.682 18.161 19.000 -0.261 0.000 0.818 423 A HN 0.276 nan 8.150 nan 0.000 0.443 424 L N -2.261 118.809 121.223 -0.255 0.000 2.046 424 L HA -0.214 4.126 4.340 0.000 0.000 0.208 424 L C 2.591 179.413 176.870 -0.080 0.000 1.077 424 L CA 1.809 56.561 54.840 -0.147 0.000 0.747 424 L CB -0.680 41.325 42.059 -0.090 0.000 0.896 424 L HN 0.555 nan 8.230 nan 0.000 0.432 425 Y N 0.676 120.841 120.300 -0.225 0.000 2.181 425 Y HA -0.292 4.258 4.550 0.000 0.000 0.288 425 Y C 2.507 178.354 175.900 -0.090 0.000 1.146 425 Y CA 1.298 59.315 58.100 -0.138 0.000 1.164 425 Y CB -0.258 38.109 38.460 -0.155 0.000 0.982 425 Y HN 0.118 nan 8.280 nan 0.000 0.515 426 A N 0.150 122.909 122.820 -0.102 0.000 1.902 426 A HA -0.176 4.144 4.320 0.000 0.000 0.217 426 A C 2.275 179.906 177.584 0.078 0.000 1.181 426 A CA 1.956 53.950 52.037 -0.072 0.000 0.623 426 A CB -1.108 17.747 19.000 -0.241 0.000 0.818 426 A HN 0.545 nan 8.150 nan 0.000 0.443 427 I N -0.050 120.533 120.570 0.023 0.000 2.163 427 I HA -0.259 3.911 4.170 0.000 0.000 0.243 427 I C 1.882 178.048 176.117 0.082 0.000 1.085 427 I CA 1.643 62.982 61.300 0.065 0.000 1.347 427 I CB -0.457 37.415 38.000 -0.213 0.000 1.044 427 I HN 0.253 nan 8.210 nan 0.000 0.408 428 D N -0.170 120.226 120.400 -0.006 0.000 2.144 428 D HA -0.212 4.428 4.640 0.000 0.000 0.200 428 D C 1.928 178.221 176.300 -0.011 0.000 0.978 428 D CA 1.172 55.156 54.000 -0.027 0.000 0.833 428 D CB -0.318 40.440 40.800 -0.070 0.000 0.961 428 D HN 0.332 nan 8.370 nan 0.000 0.470 429 Y N 1.513 121.713 120.300 -0.167 0.000 2.081 429 Y HA -0.239 4.311 4.550 0.000 0.000 0.280 429 Y C 2.281 178.188 175.900 0.012 0.000 1.163 429 Y CA 1.473 59.489 58.100 -0.139 0.000 1.135 429 Y CB -0.399 37.951 38.460 -0.184 0.000 0.970 429 Y HN -0.094 nan 8.280 nan 0.000 0.498 430 I N -0.056 120.715 120.570 0.335 0.000 2.179 430 I HA -0.330 3.840 4.170 0.000 0.000 0.242 430 I C 2.350 178.602 176.117 0.225 0.000 1.088 430 I CA 1.672 63.154 61.300 0.303 0.000 1.357 430 I CB -0.396 37.788 38.000 0.306 0.000 1.051 430 I HN 0.159 nan 8.210 nan 0.000 0.409 431 K N 0.483 120.989 120.400 0.176 0.000 2.057 431 K HA -0.148 4.172 4.320 0.000 0.000 0.207 431 K C 1.918 178.575 176.600 0.095 0.000 1.049 431 K CA 1.385 57.745 56.287 0.121 0.000 0.931 431 K CB -0.276 32.263 32.500 0.065 0.000 0.714 431 K HN 0.281 nan 8.250 nan 0.000 0.440 432 N N 0.565 119.295 118.700 0.049 0.000 2.084 432 N HA -0.188 4.552 4.740 0.000 0.000 0.190 432 N C 1.696 177.234 175.510 0.047 0.000 1.030 432 N CA 1.153 54.218 53.050 0.025 0.000 0.849 432 N CB -0.530 37.920 38.487 -0.062 0.000 1.012 432 N HN 0.223 nan 8.380 nan 0.000 0.423 433 Y N 1.959 122.204 120.300 -0.092 0.000 2.145 433 Y HA -0.186 4.364 4.550 0.000 0.000 0.286 433 Y C 2.283 178.171 175.900 -0.020 0.000 1.145 433 Y CA 1.763 59.810 58.100 -0.088 0.000 1.148 433 Y CB -0.702 37.694 38.460 -0.106 0.000 0.981 433 Y HN 0.000 nan 8.280 nan 0.000 0.507 434 T N -0.973 113.584 114.554 0.005 0.000 2.708 434 T HA -0.248 4.102 4.350 0.000 0.000 0.266 434 T C 1.560 176.233 174.700 -0.045 0.000 1.037 434 T CA 1.878 63.933 62.100 -0.074 0.000 1.146 434 T CB -0.663 68.225 68.868 0.032 0.000 0.865 434 T HN 0.562 nan 8.240 nan 0.000 0.435 435 H N 0.990 120.034 119.070 -0.043 0.000 2.352 435 H HA -0.001 4.555 4.556 0.000 0.000 0.299 435 H C 2.345 177.653 175.328 -0.034 0.000 1.097 435 H CA 1.769 57.812 56.048 -0.007 0.000 1.311 435 H CB -0.801 28.963 29.762 0.004 0.000 1.377 435 H HN 0.329 nan 8.280 nan 0.000 0.504 436 G N 0.573 109.289 108.800 -0.140 0.000 2.440 436 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 436 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 436 G C 1.591 176.361 174.900 -0.218 0.000 1.154 436 G CA 0.834 45.813 45.100 -0.202 0.000 0.767 436 G HN 0.278 nan 8.290 nan 0.000 0.552 437 K N 0.260 120.499 120.400 -0.268 0.000 2.155 437 K HA 0.172 4.492 4.320 0.000 0.000 0.203 437 K C 2.383 178.964 176.600 -0.031 0.000 1.052 437 K CA 0.254 56.428 56.287 -0.188 0.000 0.948 437 K CB -0.385 31.938 32.500 -0.296 0.000 0.728 437 K HN 0.408 nan 8.250 nan 0.000 0.448 438 I N 0.547 121.110 120.570 -0.012 0.000 2.179 438 I HA -0.263 3.907 4.170 0.000 0.000 0.242 438 I C 2.174 178.355 176.117 0.106 0.000 1.088 438 I CA 0.952 62.349 61.300 0.162 0.000 1.357 438 I CB -0.291 37.814 38.000 0.175 0.000 1.051 438 I HN -0.169 nan 8.210 nan 0.000 0.409 439 V N 0.922 120.777 119.914 -0.100 0.000 2.295 439 V HA -0.302 3.818 4.120 0.000 0.000 0.246 439 V C 2.412 178.509 176.094 0.006 0.000 1.049 439 V CA 1.876 64.120 62.300 -0.094 0.000 1.024 439 V CB -0.692 30.999 31.823 -0.220 0.000 0.648 439 V HN 0.387 nan 8.190 nan 0.000 0.447 440 K N -0.012 120.402 120.400 0.023 0.000 2.057 440 K HA -0.142 4.178 4.320 0.000 0.000 0.207 440 K C 2.416 179.184 176.600 0.279 0.000 1.049 440 K CA 1.693 58.069 56.287 0.147 0.000 0.931 440 K CB -0.336 32.243 32.500 0.131 0.000 0.714 440 K HN 0.384 nan 8.250 nan 0.000 0.440 441 S N 1.355 117.172 115.700 0.194 0.000 2.370 441 S HA -0.167 4.303 4.470 0.000 0.000 0.226 441 S C 1.744 176.340 174.600 -0.007 0.000 1.033 441 S CA 1.348 59.658 58.200 0.184 0.000 1.011 441 S CB -0.181 63.179 63.200 0.267 0.000 0.852 441 S HN 0.347 nan 8.310 nan 0.000 0.457 442 E N -0.196 119.921 120.200 -0.138 0.000 2.106 442 E HA -0.170 4.180 4.350 0.000 0.000 0.192 442 E C 1.863 178.356 176.600 -0.178 0.000 0.984 442 E CA 1.110 57.313 56.400 -0.328 0.000 0.806 442 E CB -0.269 29.296 29.700 -0.225 0.000 0.750 442 E HN 0.654 nan 8.360 nan 0.000 0.458 443 Y N 0.158 120.358 120.300 -0.166 0.000 2.128 443 Y HA -0.278 4.272 4.550 0.000 0.000 0.284 443 Y C 1.711 177.422 175.900 -0.316 0.000 1.154 443 Y CA 1.771 59.718 58.100 -0.255 0.000 1.149 443 Y CB -0.478 37.795 38.460 -0.310 0.000 0.976 443 Y HN 0.050 nan 8.280 nan 0.000 0.505 444 W N 0.032 121.248 121.300 -0.140 0.000 2.409 444 W HA -0.110 4.550 4.660 0.000 0.000 0.299 444 W C 2.355 178.734 176.519 -0.232 0.000 1.203 444 W CA 1.186 58.421 57.345 -0.182 0.000 1.298 444 W CB -0.548 28.910 29.460 -0.003 0.000 1.127 444 W HN 0.055 nan 8.180 nan 0.000 0.528 445 L N -0.030 121.170 121.223 -0.039 0.000 2.012 445 L HA -0.269 4.071 4.340 0.000 0.000 0.210 445 L C 2.638 179.358 176.870 -0.249 0.000 1.073 445 L CA 1.601 56.339 54.840 -0.170 0.000 0.748 445 L CB -1.071 40.814 42.059 -0.291 0.000 0.891 445 L HN 0.019 nan 8.230 nan 0.000 0.431 446 A N -0.442 122.202 122.820 -0.293 0.000 1.933 446 A HA -0.256 4.064 4.320 0.000 0.000 0.218 446 A C 2.357 179.766 177.584 -0.292 0.000 1.175 446 A CA 1.911 53.783 52.037 -0.275 0.000 0.628 446 A CB -0.435 18.404 19.000 -0.268 0.000 0.814 446 A HN 0.342 nan 8.150 nan 0.000 0.444 447 K N -0.813 119.330 120.400 -0.429 0.000 2.026 447 K HA -0.148 4.172 4.320 0.000 0.000 0.208 447 K C 2.153 178.647 176.600 -0.178 0.000 1.048 447 K CA 1.722 57.769 56.287 -0.400 0.000 0.929 447 K CB -0.255 31.848 32.500 -0.663 0.000 0.713 447 K HN 0.538 nan 8.250 nan 0.000 0.439 448 M N 0.727 120.262 119.600 -0.109 0.000 2.067 448 M HA -0.174 4.306 4.480 0.000 0.000 0.260 448 M C 1.951 178.271 176.300 0.033 0.000 1.069 448 M CA 1.648 56.933 55.300 -0.025 0.000 1.117 448 M CB -0.169 32.423 32.600 -0.013 0.000 1.334 448 M HN 0.196 nan 8.290 nan 0.000 0.407 449 I N 0.796 121.309 120.570 -0.095 0.000 2.194 449 I HA -0.355 3.815 4.170 0.000 0.000 0.246 449 I C 1.704 177.847 176.117 0.044 0.000 1.093 449 I CA 1.495 62.738 61.300 -0.095 0.000 1.355 449 I CB -0.682 37.179 38.000 -0.232 0.000 1.046 449 I HN 0.321 nan 8.210 nan 0.000 0.413 450 D N 0.522 120.910 120.400 -0.020 0.000 2.263 450 D HA -0.097 4.543 4.640 0.000 0.000 0.208 450 D C 2.197 178.506 176.300 0.015 0.000 0.971 450 D CA 1.027 55.021 54.000 -0.010 0.000 0.867 450 D CB -0.092 40.669 40.800 -0.064 0.000 0.929 450 D HN 0.347 nan 8.370 nan 0.000 0.492 451 L N -0.659 120.572 121.223 0.015 0.000 2.395 451 L HA -0.022 4.318 4.340 0.000 0.000 0.218 451 L C 1.935 178.785 176.870 -0.034 0.000 1.130 451 L CA 0.075 54.896 54.840 -0.032 0.000 0.826 451 L CB -0.150 41.855 42.059 -0.089 0.000 0.941 451 L HN -0.069 nan 8.230 nan 0.000 0.451 452 F N 0.836 120.751 119.950 -0.057 0.000 2.102 452 F HA -0.108 4.419 4.527 0.000 0.000 0.298 452 F C -0.107 175.681 175.800 -0.020 0.000 1.105 452 F CA 1.681 59.659 58.000 -0.037 0.000 1.239 452 F CB -1.639 37.339 39.000 -0.036 0.000 0.991 452 F HN 0.091 nan 8.300 nan 0.000 0.474 453 P HA -0.134 nan 4.420 nan 0.000 0.217 453 P C 1.915 179.239 177.300 0.039 0.000 1.150 453 P CA 1.368 64.521 63.100 0.089 0.000 0.832 453 P CB -0.046 31.694 31.700 0.067 0.000 0.787 454 V N 0.339 120.262 119.914 0.016 0.000 2.295 454 V HA -0.270 3.850 4.120 0.000 0.000 0.246 454 V C 2.502 178.579 176.094 -0.028 0.000 1.049 454 V CA 2.314 64.607 62.300 -0.011 0.000 1.024 454 V CB -1.802 30.007 31.823 -0.024 0.000 0.648 454 V HN 0.106 nan 8.190 nan 0.000 0.447 455 A N 0.330 123.116 122.820 -0.058 0.000 1.877 455 A HA -0.224 4.096 4.320 0.000 0.000 0.216 455 A C 2.488 180.043 177.584 -0.048 0.000 1.186 455 A CA 2.862 54.846 52.037 -0.089 0.000 0.620 455 A CB -0.823 18.060 19.000 -0.196 0.000 0.822 455 A HN 0.531 nan 8.150 nan 0.000 0.443 456 K N 0.027 120.420 120.400 -0.011 0.000 2.057 456 K HA -0.120 4.200 4.320 0.000 0.000 0.207 456 K C 2.142 178.747 176.600 0.008 0.000 1.049 456 K CA 1.707 58.003 56.287 0.016 0.000 0.931 456 K CB -0.636 31.899 32.500 0.059 0.000 0.714 456 K HN 0.630 nan 8.250 nan 0.000 0.440 457 R N -0.387 120.118 120.500 0.008 0.000 2.148 457 R HA 0.119 4.459 4.340 0.000 0.000 0.223 457 R C 2.519 178.817 176.300 -0.004 0.000 1.088 457 R CA 0.942 57.045 56.100 0.005 0.000 0.985 457 R CB -0.140 30.164 30.300 0.007 0.000 0.880 457 R HN 0.465 nan 8.270 nan 0.000 0.451 458 A N 0.010 122.823 122.820 -0.012 0.000 2.208 458 A HA 0.209 4.530 4.320 0.000 0.000 0.209 458 A C 1.357 178.932 177.584 -0.016 0.000 1.161 458 A CA 0.743 52.770 52.037 -0.016 0.000 0.782 458 A CB -0.081 18.904 19.000 -0.025 0.000 0.816 458 A HN 0.409 nan 8.150 nan 0.000 0.477 459 G N -1.148 107.644 108.800 -0.014 0.000 2.132 459 G HA2 -0.179 3.781 3.960 0.000 0.000 0.228 459 G HA3 -0.179 3.781 3.960 0.000 0.000 0.228 459 G C 0.168 175.056 174.900 -0.019 0.000 1.000 459 G CA 0.016 45.109 45.100 -0.012 0.000 0.693 459 G HN 0.738 nan 8.290 nan 0.000 0.515 460 V N 1.691 121.587 119.914 -0.030 0.000 2.694 460 V HA 0.356 4.476 4.120 0.000 0.000 0.306 460 V C 1.596 177.672 176.094 -0.031 0.000 1.054 460 V CA 0.595 62.869 62.300 -0.042 0.000 1.161 460 V CB 1.140 32.919 31.823 -0.074 0.000 0.916 460 V HN 1.203 nan 8.190 nan 0.000 0.490 461 S N 4.185 119.868 115.700 -0.028 0.000 2.579 461 S HA 0.116 4.586 4.470 0.000 0.000 0.275 461 S C 0.975 175.568 174.600 -0.012 0.000 1.345 461 S CA -0.405 57.785 58.200 -0.017 0.000 1.031 461 S CB 0.897 64.087 63.200 -0.016 0.000 0.892 461 S HN 0.708 nan 8.310 nan 0.000 0.529 462 E N 1.473 121.673 120.200 -0.000 0.000 2.160 462 E HA -0.160 4.190 4.350 0.000 0.000 0.195 462 E C 1.297 177.902 176.600 0.008 0.000 0.991 462 E CA 1.362 57.768 56.400 0.011 0.000 0.810 462 E CB -0.423 29.285 29.700 0.012 0.000 0.742 462 E HN 0.749 nan 8.360 nan 0.000 0.466 463 D N -0.043 120.357 120.400 -0.000 0.000 2.104 463 D HA -0.121 4.519 4.640 0.000 0.000 0.194 463 D C 2.077 178.374 176.300 -0.006 0.000 0.994 463 D CA 0.769 54.768 54.000 -0.002 0.000 0.830 463 D CB -0.195 40.602 40.800 -0.005 0.000 0.959 463 D HN 0.019 nan 8.370 nan 0.000 0.452 464 V N 0.725 120.628 119.914 -0.020 0.000 2.358 464 V HA -0.176 3.944 4.120 0.000 0.000 0.246 464 V C 2.556 178.621 176.094 -0.048 0.000 1.047 464 V CA 1.008 63.284 62.300 -0.039 0.000 1.035 464 V CB -0.403 31.384 31.823 -0.060 0.000 0.658 464 V HN 0.215 nan 8.190 nan 0.000 0.452 465 L N 0.019 121.221 121.223 -0.036 0.000 2.046 465 L HA -0.211 4.129 4.340 0.000 0.000 0.208 465 L C 2.220 179.162 176.870 0.120 0.000 1.077 465 L CA 2.075 56.919 54.840 0.007 0.000 0.747 465 L CB -0.821 41.279 42.059 0.068 0.000 0.896 465 L HN 0.435 nan 8.230 nan 0.000 0.432 466 N N -0.758 117.985 118.700 0.071 0.000 2.188 466 N HA -0.189 4.551 4.740 0.000 0.000 0.184 466 N C 1.883 177.429 175.510 0.060 0.000 1.018 466 N CA 0.712 53.800 53.050 0.063 0.000 0.858 466 N CB -0.007 38.495 38.487 0.025 0.000 0.989 466 N HN 0.378 nan 8.380 nan 0.000 0.426 467 Q N 0.517 120.341 119.800 0.040 0.000 2.061 467 Q HA -0.132 4.208 4.340 0.000 0.000 0.204 467 Q C 2.240 178.283 176.000 0.071 0.000 0.984 467 Q CA 1.562 57.387 55.803 0.037 0.000 0.846 467 Q CB -0.135 28.610 28.738 0.011 0.000 0.902 467 Q HN 0.427 nan 8.270 nan 0.000 0.421 468 A N 1.032 123.902 122.820 0.082 0.000 1.933 468 A HA -0.190 4.130 4.320 0.000 0.000 0.218 468 A C 1.964 179.748 177.584 0.334 0.000 1.175 468 A CA 1.275 53.404 52.037 0.153 0.000 0.628 468 A CB -0.361 18.624 19.000 -0.026 0.000 0.814 468 A HN 0.215 nan 8.150 nan 0.000 0.444 469 R N -0.704 119.994 120.500 0.330 0.000 2.096 469 R HA -0.132 4.208 4.340 0.000 0.000 0.235 469 R C 2.249 178.628 176.300 0.132 0.000 1.127 469 R CA 1.447 57.676 56.100 0.216 0.000 0.968 469 R CB -0.237 30.125 30.300 0.102 0.000 0.861 469 R HN 0.795 nan 8.270 nan 0.000 0.440 470 E N 1.011 121.273 120.200 0.102 0.000 2.106 470 E HA -0.160 4.190 4.350 0.000 0.000 0.192 470 E C 1.865 178.555 176.600 0.149 0.000 0.984 470 E CA 0.809 57.255 56.400 0.077 0.000 0.806 470 E CB 0.045 29.766 29.700 0.035 0.000 0.750 470 E HN 0.269 nan 8.360 nan 0.000 0.458 471 L N -0.080 121.242 121.223 0.165 0.000 2.093 471 L HA -0.173 4.167 4.340 0.000 0.000 0.208 471 L C 2.632 179.657 176.870 0.259 0.000 1.085 471 L CA 1.490 56.443 54.840 0.188 0.000 0.755 471 L CB -0.572 41.573 42.059 0.143 0.000 0.904 471 L HN 0.354 nan 8.230 nan 0.000 0.435 472 H N -1.248 117.898 119.070 0.128 0.000 2.319 472 H HA -0.293 4.263 4.556 0.000 0.000 0.299 472 H C 2.337 177.724 175.328 0.097 0.000 1.092 472 H CA 1.855 57.947 56.048 0.074 0.000 1.302 472 H CB 0.035 29.766 29.762 -0.053 0.000 1.373 472 H HN 0.268 nan 8.280 nan 0.000 0.497 473 Y N 1.918 122.230 120.300 0.019 0.000 2.069 473 Y HA -0.318 4.232 4.550 0.000 0.000 0.278 473 Y C 2.082 178.024 175.900 0.071 0.000 1.175 473 Y CA 2.274 60.341 58.100 -0.055 0.000 1.134 473 Y CB -0.453 37.955 38.460 -0.087 0.000 0.965 473 Y HN 0.351 nan 8.280 nan 0.000 0.498 474 D N -0.243 120.397 120.400 0.400 0.000 2.117 474 D HA -0.128 4.512 4.640 0.000 0.000 0.198 474 D C 2.323 178.831 176.300 0.346 0.000 0.982 474 D CA 1.436 55.653 54.000 0.362 0.000 0.828 474 D CB -0.779 40.288 40.800 0.445 0.000 0.967 474 D HN 0.467 nan 8.370 nan 0.000 0.464 475 A N 0.419 123.447 122.820 0.346 0.000 1.908 475 A HA -0.254 4.066 4.320 0.000 0.000 0.218 475 A C 2.058 179.864 177.584 0.370 0.000 1.181 475 A CA 2.099 54.343 52.037 0.345 0.000 0.627 475 A CB -0.968 18.194 19.000 0.269 0.000 0.818 475 A HN 0.383 nan 8.150 nan 0.000 0.445 476 H N -0.836 118.389 119.070 0.258 0.000 2.299 476 H HA -0.087 4.469 4.556 0.000 0.000 0.302 476 H C 1.864 177.292 175.328 0.167 0.000 1.078 476 H CA 1.786 58.010 56.048 0.293 0.000 1.323 476 H CB -0.225 29.573 29.762 0.061 0.000 1.381 476 H HN 0.316 nan 8.280 nan 0.000 0.498 477 L N -0.054 121.174 121.223 0.008 0.000 1.990 477 L HA -0.230 4.110 4.340 0.000 0.000 0.213 477 L C 1.555 178.285 176.870 -0.233 0.000 1.072 477 L CA 1.782 56.469 54.840 -0.255 0.000 0.755 477 L CB -1.045 40.715 42.059 -0.499 0.000 0.889 477 L HN 0.354 nan 8.230 nan 0.000 0.432 478 Y N -2.338 118.045 120.300 0.138 0.000 2.571 478 Y HA -0.122 4.428 4.550 0.000 0.000 0.294 478 Y C 1.937 178.047 175.900 0.350 0.000 1.141 478 Y CA 0.929 59.140 58.100 0.184 0.000 1.308 478 Y CB -0.779 37.801 38.460 0.200 0.000 1.002 478 Y HN 0.519 nan 8.280 nan 0.000 0.551 479 W N 0.864 122.298 121.300 0.224 0.000 2.633 479 W HA 0.053 4.713 4.660 0.000 0.000 0.295 479 W C 2.107 178.702 176.519 0.127 0.000 1.133 479 W CA 1.043 58.513 57.345 0.208 0.000 1.490 479 W CB -0.602 28.920 29.460 0.102 0.000 1.127 479 W HN -0.087 nan 8.180 nan 0.000 0.538 480 E N 0.082 119.807 120.200 -0.792 0.000 2.204 480 E HA -0.259 4.091 4.350 0.000 0.000 0.195 480 E C 1.992 178.123 176.600 -0.781 0.000 0.990 480 E CA 1.356 56.944 56.400 -1.353 0.000 0.821 480 E CB -0.859 28.143 29.700 -1.165 0.000 0.750 480 E HN 0.460 nan 8.360 nan 0.000 0.477 481 W N 0.146 120.966 121.300 -0.799 0.000 2.305 481 W HA -0.254 4.407 4.660 0.000 0.000 0.308 481 W C 0.914 176.821 176.519 -1.020 0.000 1.226 481 W CA 1.443 58.199 57.345 -0.983 0.000 1.253 481 W CB -0.546 28.174 29.460 -1.233 0.000 1.146 481 W HN 0.252 nan 8.180 nan 0.000 0.507 482 W N -0.192 121.045 121.300 -0.104 0.000 2.737 482 W HA -0.066 4.594 4.660 0.000 0.000 0.262 482 W C 2.739 179.164 176.519 -0.156 0.000 1.282 482 W CA 1.775 59.084 57.345 -0.061 0.000 1.386 482 W CB -0.859 28.623 29.460 0.036 0.000 1.099 482 W HN -0.219 nan 8.180 nan 0.000 0.621 483 T N -2.370 112.057 114.554 -0.212 0.000 2.985 483 T HA 0.117 4.467 4.350 0.000 0.000 0.266 483 T C 1.921 176.492 174.700 -0.215 0.000 1.076 483 T CA 1.071 63.056 62.100 -0.191 0.000 1.135 483 T CB -0.538 68.160 68.868 -0.283 0.000 0.890 483 T HN 0.038 nan 8.240 nan 0.000 0.480 484 A N 1.373 123.987 122.820 -0.343 0.000 1.897 484 A HA 0.070 4.390 4.320 0.000 0.000 0.215 484 A C 1.480 178.918 177.584 -0.243 0.000 1.181 484 A CA 0.543 52.391 52.037 -0.315 0.000 0.620 484 A CB -0.329 18.344 19.000 -0.545 0.000 0.821 484 A HN 0.477 nan 8.150 nan 0.000 0.443 485 E N 0.495 120.512 120.200 -0.304 0.000 2.354 485 E HA 0.074 4.424 4.350 0.000 0.000 0.269 485 E C -0.226 176.372 176.600 -0.002 0.000 1.036 485 E CA -0.236 56.062 56.400 -0.170 0.000 0.876 485 E CB 0.356 29.927 29.700 -0.215 0.000 1.009 485 E HN 0.399 nan 8.360 nan 0.000 0.416 486 N N 1.124 119.848 118.700 0.039 0.000 2.353 486 N HA -0.068 4.672 4.740 0.000 0.000 0.185 486 N C 1.170 176.670 175.510 -0.016 0.000 1.098 486 N CA 0.367 53.430 53.050 0.020 0.000 0.872 486 N CB 0.355 38.862 38.487 0.033 0.000 0.970 486 N HN 0.360 nan 8.380 nan 0.000 0.467 487 S N -0.241 115.427 115.700 -0.053 0.000 2.575 487 S HA 0.039 4.509 4.470 0.000 0.000 0.215 487 S C 0.911 175.532 174.600 0.034 0.000 0.966 487 S CA -0.188 57.914 58.200 -0.164 0.000 0.911 487 S CB -0.081 62.705 63.200 -0.690 0.000 0.780 487 S HN -0.022 nan 8.310 nan 0.000 0.514 488 V N 1.156 121.137 119.914 0.112 0.000 5.616 488 V HA -0.180 3.940 4.120 0.000 0.000 0.301 488 V C 1.580 177.785 176.094 0.185 0.000 0.564 488 V CA 0.692 63.089 62.300 0.161 0.000 0.653 488 V CB -2.849 29.036 31.823 0.104 0.000 0.372 488 V HN 1.196 nan 8.190 nan 0.000 1.029 489 G N -0.524 108.422 108.800 0.242 0.000 2.268 489 G HA2 -0.405 3.555 3.960 0.000 0.000 0.240 489 G HA3 -0.405 3.555 3.960 0.000 0.000 0.240 489 G C 0.410 175.430 174.900 0.201 0.000 1.010 489 G CA 0.576 45.776 45.100 0.167 0.000 0.618 489 G HN 1.216 nan 8.290 nan 0.000 0.516 490 F N 1.514 121.515 119.950 0.084 0.000 2.161 490 F HA -0.015 4.512 4.527 0.000 0.000 0.300 490 F C 2.415 178.365 175.800 0.251 0.000 1.089 490 F CA 2.607 60.673 58.000 0.111 0.000 1.282 490 F CB -0.250 38.771 39.000 0.035 0.000 1.010 490 F HN 0.456 nan 8.300 nan 0.000 0.485 491 H N -1.700 117.580 119.070 0.350 0.000 2.489 491 H HA -0.070 4.486 4.556 0.000 0.000 0.293 491 H C 0.274 175.765 175.328 0.272 0.000 1.066 491 H CA 0.898 57.169 56.048 0.372 0.000 1.305 491 H CB 0.034 30.052 29.762 0.427 0.000 1.386 491 H HN 0.055 nan 8.280 nan 0.000 0.551 492 N N -1.151 117.735 118.700 0.310 0.000 2.946 492 N HA 0.017 4.757 4.740 0.000 0.000 0.213 492 N C -2.381 173.188 175.510 0.098 0.000 1.440 492 N CA -1.091 52.083 53.050 0.207 0.000 0.745 492 N CB 0.710 39.381 38.487 0.306 0.000 1.471 492 N HN -0.038 nan 8.380 nan 0.000 0.569 493 P HA -0.046 nan 4.420 nan 0.000 0.217 493 P C 0.600 177.890 177.300 -0.016 0.000 1.150 493 P CA 1.081 64.178 63.100 -0.004 0.000 0.832 493 P CB 0.630 32.334 31.700 0.006 0.000 0.787 494 D N -0.285 120.118 120.400 0.005 0.000 2.144 494 D HA -0.166 4.474 4.640 0.000 0.000 0.199 494 D C 2.174 178.496 176.300 0.036 0.000 0.984 494 D CA 0.960 54.970 54.000 0.016 0.000 0.834 494 D CB -0.501 40.309 40.800 0.018 0.000 0.955 494 D HN 0.315 nan 8.370 nan 0.000 0.465 495 Q N 0.368 120.209 119.800 0.068 0.000 2.079 495 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 495 Q C 2.078 178.027 176.000 -0.085 0.000 0.974 495 Q CA 1.314 57.216 55.803 0.166 0.000 0.840 495 Q CB 0.004 28.916 28.738 0.290 0.000 0.898 495 Q HN 0.176 nan 8.270 nan 0.000 0.430 496 A N 1.389 123.878 122.820 -0.552 0.000 1.883 496 A HA -0.243 4.077 4.320 0.000 0.000 0.217 496 A C 2.118 179.311 177.584 -0.652 0.000 1.186 496 A CA 1.678 52.872 52.037 -1.406 0.000 0.624 496 A CB -0.712 17.526 19.000 -1.269 0.000 0.822 496 A HN 0.429 nan 8.150 nan 0.000 0.444 497 R N -0.334 120.018 120.500 -0.247 0.000 2.073 497 R HA -0.179 4.161 4.340 0.000 0.000 0.234 497 R C 2.224 178.520 176.300 -0.008 0.000 1.134 497 R CA 1.851 57.928 56.100 -0.040 0.000 0.952 497 R CB -0.325 30.056 30.300 0.135 0.000 0.850 497 R HN 0.716 nan 8.270 nan 0.000 0.433 498 E N -0.309 119.918 120.200 0.044 0.000 2.077 498 E HA -0.181 4.169 4.350 0.000 0.000 0.193 498 E C 1.864 178.577 176.600 0.189 0.000 0.989 498 E CA 1.450 57.920 56.400 0.116 0.000 0.800 498 E CB -0.093 29.697 29.700 0.150 0.000 0.746 498 E HN 0.283 nan 8.360 nan 0.000 0.452 499 S N -0.035 115.806 115.700 0.234 0.000 2.356 499 S HA -0.115 4.355 4.470 0.000 0.000 0.223 499 S C 2.014 176.731 174.600 0.195 0.000 1.032 499 S CA 1.033 59.369 58.200 0.226 0.000 1.005 499 S CB -0.245 63.168 63.200 0.356 0.000 0.867 499 S HN 0.313 nan 8.310 nan 0.000 0.449 500 L N 0.685 121.943 121.223 0.058 0.000 2.093 500 L HA -0.039 4.301 4.340 0.000 0.000 0.208 500 L C 2.743 179.662 176.870 0.083 0.000 1.085 500 L CA 1.201 56.100 54.840 0.097 0.000 0.755 500 L CB -0.425 41.612 42.059 -0.036 0.000 0.904 500 L HN 0.387 nan 8.230 nan 0.000 0.435 501 M N -1.019 118.601 119.600 0.033 0.000 2.159 501 M HA -0.173 4.307 4.480 0.000 0.000 0.263 501 M C 2.247 178.553 176.300 0.011 0.000 1.063 501 M CA 1.744 57.052 55.300 0.014 0.000 1.110 501 M CB -0.591 32.012 32.600 0.006 0.000 1.374 501 M HN 0.248 nan 8.290 nan 0.000 0.411 502 T N -0.277 114.289 114.554 0.019 0.000 2.746 502 T HA -0.141 4.209 4.350 0.000 0.000 0.267 502 T C 1.940 176.692 174.700 0.087 0.000 1.039 502 T CA 1.797 63.886 62.100 -0.019 0.000 1.142 502 T CB -0.311 68.433 68.868 -0.205 0.000 0.866 502 T HN 0.411 nan 8.240 nan 0.000 0.444 503 S N 0.914 116.738 115.700 0.208 0.000 2.353 503 S HA -0.106 4.364 4.470 0.000 0.000 0.222 503 S C 2.059 176.758 174.600 0.165 0.000 1.035 503 S CA 1.187 59.562 58.200 0.291 0.000 1.025 503 S CB -0.581 62.849 63.200 0.383 0.000 0.902 503 S HN 0.476 nan 8.310 nan 0.000 0.440 504 I N 1.159 121.785 120.570 0.093 0.000 2.208 504 I HA -0.162 4.008 4.170 0.000 0.000 0.245 504 I C 2.645 178.666 176.117 -0.159 0.000 1.097 504 I CA 1.274 62.551 61.300 -0.038 0.000 1.363 504 I CB -0.485 37.464 38.000 -0.084 0.000 1.051 504 I HN 0.289 nan 8.210 nan 0.000 0.413 505 S N 0.572 116.214 115.700 -0.096 0.000 2.359 505 S HA -0.166 4.304 4.470 0.000 0.000 0.224 505 S C 2.010 176.574 174.600 -0.060 0.000 1.035 505 S CA 1.178 59.314 58.200 -0.107 0.000 1.018 505 S CB -0.157 63.006 63.200 -0.063 0.000 0.876 505 S HN 0.319 nan 8.310 nan 0.000 0.448 506 K N 1.487 121.903 120.400 0.026 0.000 2.026 506 K HA 0.072 4.392 4.320 0.000 0.000 0.208 506 K C 2.450 179.087 176.600 0.062 0.000 1.048 506 K CA 1.082 57.417 56.287 0.079 0.000 0.929 506 K CB -0.871 31.737 32.500 0.181 0.000 0.713 506 K HN 0.251 nan 8.250 nan 0.000 0.439 507 S N 1.445 117.184 115.700 0.066 0.000 2.359 507 S HA -0.121 4.349 4.470 0.000 0.000 0.224 507 S C 1.909 176.535 174.600 0.044 0.000 1.035 507 S CA 1.343 59.593 58.200 0.084 0.000 1.018 507 S CB -0.100 63.199 63.200 0.165 0.000 0.876 507 S HN 0.315 nan 8.310 nan 0.000 0.448 508 K N 0.904 121.220 120.400 -0.139 0.000 2.063 508 K HA -0.145 4.175 4.320 0.000 0.000 0.208 508 K C 2.308 178.849 176.600 -0.099 0.000 1.048 508 K CA 1.314 57.440 56.287 -0.268 0.000 0.928 508 K CB -0.159 32.005 32.500 -0.560 0.000 0.713 508 K HN 0.436 nan 8.250 nan 0.000 0.442 509 E N 0.564 120.723 120.200 -0.069 0.000 2.077 509 E HA -0.205 4.145 4.350 0.000 0.000 0.193 509 E C 1.904 178.501 176.600 -0.005 0.000 0.989 509 E CA 1.121 57.503 56.400 -0.030 0.000 0.800 509 E CB -0.019 29.674 29.700 -0.011 0.000 0.746 509 E HN 0.329 nan 8.360 nan 0.000 0.452 510 A N 0.366 123.196 122.820 0.017 0.000 1.930 510 A HA -0.101 4.219 4.320 0.000 0.000 0.217 510 A C 2.385 179.965 177.584 -0.007 0.000 1.175 510 A CA 1.184 53.231 52.037 0.017 0.000 0.627 510 A CB -0.547 18.490 19.000 0.062 0.000 0.815 510 A HN 0.220 nan 8.150 nan 0.000 0.443 511 V N -0.352 119.584 119.914 0.037 0.000 2.295 511 V HA -0.227 3.893 4.120 0.000 0.000 0.246 511 V C 2.856 178.964 176.094 0.022 0.000 1.049 511 V CA 2.394 64.727 62.300 0.055 0.000 1.024 511 V CB -0.706 31.237 31.823 0.200 0.000 0.648 511 V HN 0.676 nan 8.190 nan 0.000 0.447 512 S N -0.421 115.291 115.700 0.021 0.000 2.368 512 S HA -0.183 4.287 4.470 0.000 0.000 0.225 512 S C 1.960 176.548 174.600 -0.020 0.000 1.030 512 S CA 1.894 60.097 58.200 0.004 0.000 0.999 512 S CB -0.351 62.846 63.200 -0.005 0.000 0.844 512 S HN 0.423 nan 8.310 nan 0.000 0.459 513 L N 1.548 122.752 121.223 -0.032 0.000 1.989 513 L HA 0.000 4.340 4.340 0.000 0.000 0.211 513 L C 2.185 179.008 176.870 -0.079 0.000 1.071 513 L CA 1.867 56.678 54.840 -0.049 0.000 0.749 513 L CB -0.649 41.380 42.059 -0.049 0.000 0.890 513 L HN 0.401 nan 8.230 nan 0.000 0.431 514 L N -0.595 120.560 121.223 -0.112 0.000 2.056 514 L HA -0.166 4.174 4.340 0.000 0.000 0.207 514 L C 2.407 179.214 176.870 -0.105 0.000 1.078 514 L CA 1.045 55.788 54.840 -0.161 0.000 0.749 514 L CB -0.809 41.097 42.059 -0.256 0.000 0.901 514 L HN 0.357 nan 8.230 nan 0.000 0.433 515 N N 0.162 118.822 118.700 -0.066 0.000 2.104 515 N HA -0.191 4.549 4.740 0.000 0.000 0.190 515 N C 1.460 176.948 175.510 -0.037 0.000 1.024 515 N CA 1.513 54.538 53.050 -0.041 0.000 0.853 515 N CB -0.284 38.196 38.487 -0.013 0.000 1.008 515 N HN 0.291 nan 8.380 nan 0.000 0.424 516 D N 0.623 121.002 120.400 -0.035 0.000 2.097 516 D HA -0.034 4.606 4.640 0.000 0.000 0.197 516 D C 1.851 178.129 176.300 -0.036 0.000 0.984 516 D CA 1.168 55.150 54.000 -0.029 0.000 0.826 516 D CB -0.418 40.367 40.800 -0.025 0.000 0.973 516 D HN 0.223 nan 8.370 nan 0.000 0.460 517 A N 0.655 123.445 122.820 -0.050 0.000 1.908 517 A HA -0.158 4.162 4.320 0.000 0.000 0.218 517 A C 2.377 179.931 177.584 -0.051 0.000 1.181 517 A CA 1.038 53.043 52.037 -0.054 0.000 0.627 517 A CB -0.787 18.169 19.000 -0.073 0.000 0.818 517 A HN 0.207 nan 8.150 nan 0.000 0.445 518 I N -0.065 120.470 120.570 -0.058 0.000 2.179 518 I HA -0.258 3.912 4.170 0.000 0.000 0.242 518 I C 1.864 177.961 176.117 -0.034 0.000 1.088 518 I CA 1.618 62.889 61.300 -0.049 0.000 1.357 518 I CB -0.487 37.481 38.000 -0.053 0.000 1.051 518 I HN 0.239 nan 8.210 nan 0.000 0.409 519 D N 0.993 121.375 120.400 -0.030 0.000 2.144 519 D HA -0.138 4.502 4.640 0.000 0.000 0.199 519 D C 2.228 178.517 176.300 -0.019 0.000 0.984 519 D CA 1.492 55.480 54.000 -0.021 0.000 0.834 519 D CB -0.177 40.612 40.800 -0.017 0.000 0.955 519 D HN 0.366 nan 8.370 nan 0.000 0.465 520 A N 0.662 123.469 122.820 -0.022 0.000 1.969 520 A HA -0.167 4.153 4.320 0.000 0.000 0.218 520 A C 2.076 179.649 177.584 -0.018 0.000 1.169 520 A CA 1.074 53.100 52.037 -0.019 0.000 0.635 520 A CB -0.257 18.730 19.000 -0.020 0.000 0.810 520 A HN 0.059 nan 8.150 nan 0.000 0.445 521 Q N -0.397 119.390 119.800 -0.021 0.000 2.172 521 Q HA -0.045 4.295 4.340 0.000 0.000 0.200 521 Q C 2.237 178.228 176.000 -0.015 0.000 0.964 521 Q CA 1.312 57.103 55.803 -0.019 0.000 0.855 521 Q CB -0.480 28.244 28.738 -0.023 0.000 0.918 521 Q HN 0.498 nan 8.270 nan 0.000 0.444 522 V N 0.841 120.746 119.914 -0.016 0.000 2.453 522 V HA -0.108 4.012 4.120 0.000 0.000 0.247 522 V C 2.004 178.092 176.094 -0.011 0.000 1.048 522 V CA 1.493 63.785 62.300 -0.013 0.000 1.049 522 V CB -0.707 31.108 31.823 -0.013 0.000 0.672 522 V HN 0.243 nan 8.190 nan 0.000 0.457 523 A N -1.004 121.810 122.820 -0.011 0.000 2.252 523 A HA 0.483 4.803 4.320 0.000 0.000 0.207 523 A C 1.073 178.652 177.584 -0.009 0.000 1.194 523 A CA 1.286 53.318 52.037 -0.009 0.000 0.809 523 A CB -0.943 18.051 19.000 -0.009 0.000 0.814 523 A HN 1.233 nan 8.150 nan 0.000 0.482 524 S N 0.000 115.694 115.700 -0.009 0.000 2.498 524 S HA 0.000 4.470 4.470 0.000 0.000 0.327 524 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 524 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 524 S HN 0.000 nan 8.310 nan 0.000 0.517