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 3ltg_1_A DATA FIRST_RESID -2 DATA SEQUENCE HHHKIcIGTK SRLSVPSNKE HHYRNLRDRY TNcTYVDGNL ELTWLPNENL DATA SEQUENCE DLSFLDNIRE VTGYILISHV DVKKVVFPKL QIIRGRTLFS LSXXEEKYAL DATA SEQUENCE FVTYSKMYTL EIPDLRDVLN GQVGFHNNYN LcHMRTIQWS EIVSNGTDAY DATA SEQUENCE XXXXXXAPER EcPKcHEScT HGcWGEGPKN cQKFSKLTcS PQcAGGRcYG DATA SEQUENCE PKPREccHLF cAGGcTGPTQ KDcIAcKNFF DEGVcKEEcP PMRKYNPTTY DATA SEQUENCE VLETNPEGKY AYGATcVKEc PGHLLRDNGA cVRScPQDKM DKGGEcVPcN DATA SEQUENCE GPcPKTcPGV TVLHAGNIDS FRNcTVIDGN IRILDQTFSG FQDVYANYTM DATA SEQUENCE GPRYIPLDPE RLEVFSTVKE ITGYLNIEGT HPQFRNLSYF RNLETIHGRQ DATA SEQUENCE LMESMFAALA IVKSSLYSLE MRNLKQISSG SVVIQHNRDL cYVSNIRWPA DATA SEQUENCE IQKEPEQKVW VNENLRADLc EKNGTIcSDQ cNEDGcWGAG TDQcLNcKNF DATA SEQUENCE NFNGTcIADc GYISNAYKFD NRTcKIcHXX XXXcN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 H HA 0.000 nan 4.556 nan 0.000 0.296 -2 H C 0.000 175.369 175.328 0.068 0.000 0.993 -2 H CA 0.000 56.069 56.048 0.034 0.000 1.023 -2 H CB 0.000 29.770 29.762 0.013 0.000 1.292 -1 H N -0.314 118.908 119.070 0.253 0.000 3.237 -1 H HA -0.226 4.196 4.556 -0.224 0.000 0.231 -1 H C 0.966 176.403 175.328 0.181 0.000 1.148 -1 H CA 2.580 58.707 56.048 0.130 0.000 1.155 -1 H CB -2.591 27.211 29.762 0.067 0.000 1.210 -1 H HN 0.954 nan 8.280 nan 0.000 0.317 0 H N -1.176 117.997 119.070 0.171 0.000 1.452 0 H HA -0.218 4.204 4.556 -0.224 0.000 0.090 0 H C 0.773 176.157 175.328 0.095 0.000 0.618 0 H CA 2.046 58.177 56.048 0.139 0.000 1.901 0 H CB -0.846 28.984 29.762 0.113 0.000 2.257 0 H HN 0.992 nan 8.280 nan 0.000 0.961 1 K N 1.480 122.051 120.400 0.285 0.000 2.450 1 K HA 0.521 4.707 4.320 -0.224 0.000 0.257 1 K C -1.254 175.468 176.600 0.204 0.000 0.953 1 K CA -0.215 56.182 56.287 0.182 0.000 0.844 1 K CB 0.962 33.534 32.500 0.121 0.000 1.103 1 K HN 0.321 nan 8.250 nan 0.000 0.429 2 I N 4.592 125.285 120.570 0.205 0.000 2.331 2 I HA 0.256 4.292 4.170 -0.224 0.000 0.292 2 I C -0.233 175.964 176.117 0.134 0.000 0.998 2 I CA -0.849 60.615 61.300 0.273 0.000 1.267 2 I CB 1.233 39.445 38.000 0.352 0.000 1.386 2 I HN 0.622 nan 8.210 nan 0.000 0.476 3 c N 6.530 125.195 118.600 0.109 0.000 2.358 3 c HA 0.538 4.973 4.570 -0.224 0.000 0.354 3 c C 0.187 174.254 174.090 -0.038 0.000 1.183 3 c CA -0.604 55.726 56.329 0.002 0.000 2.150 3 c CB 1.195 43.737 42.510 0.054 0.000 2.361 3 c HN 0.455 nan 8.230 nan 0.000 0.535 4 I N 2.532 123.030 120.570 -0.120 0.000 2.336 4 I HA 0.341 4.377 4.170 -0.224 0.000 0.292 4 I C 0.980 177.048 176.117 -0.082 0.000 0.991 4 I CA 0.368 61.601 61.300 -0.112 0.000 1.227 4 I CB 0.341 38.244 38.000 -0.162 0.000 1.366 4 I HN 0.870 nan 8.210 nan 0.000 0.466 5 G N 4.738 113.521 108.800 -0.028 0.000 2.611 5 G HA2 0.469 4.295 3.960 -0.224 0.000 0.273 5 G HA3 0.469 4.295 3.960 -0.224 0.000 0.273 5 G C -0.185 174.723 174.900 0.012 0.000 1.305 5 G CA -0.142 44.974 45.100 0.027 0.000 1.010 5 G HN 0.663 nan 8.290 nan 0.000 0.509 6 T N -2.625 111.955 114.554 0.044 0.000 2.887 6 T HA 0.511 4.726 4.350 -0.224 0.000 0.288 6 T C 0.495 175.232 174.700 0.062 0.000 1.021 6 T CA -0.919 61.218 62.100 0.061 0.000 1.000 6 T CB 2.594 71.526 68.868 0.107 0.000 1.034 6 T HN 0.424 nan 8.240 nan 0.000 0.467 7 K N 0.814 121.269 120.400 0.092 0.000 2.242 7 K HA 0.130 4.316 4.320 -0.224 0.000 0.200 7 K C 0.972 177.681 176.600 0.181 0.000 1.050 7 K CA 0.201 56.566 56.287 0.130 0.000 0.981 7 K CB 0.247 32.812 32.500 0.109 0.000 0.795 7 K HN 0.759 nan 8.250 nan 0.000 0.477 8 S N 2.778 118.573 115.700 0.160 0.000 2.506 8 S HA 0.081 4.417 4.470 -0.224 0.000 0.291 8 S C -0.273 174.463 174.600 0.227 0.000 1.230 8 S CA -0.694 57.607 58.200 0.169 0.000 1.107 8 S CB -0.047 63.233 63.200 0.134 0.000 0.942 8 S HN 0.184 nan 8.310 nan 0.000 0.502 9 R N 2.168 122.825 120.500 0.261 0.000 2.480 9 R HA 0.706 4.911 4.340 -0.224 0.000 0.306 9 R C -0.359 176.157 176.300 0.361 0.000 0.958 9 R CA -1.159 55.151 56.100 0.350 0.000 0.861 9 R CB 0.545 31.127 30.300 0.469 0.000 1.171 9 R HN 0.429 nan 8.270 nan 0.000 0.445 10 L N 0.593 122.039 121.223 0.373 0.000 4.429 10 L HA -0.237 3.968 4.340 -0.224 0.000 0.422 10 L C -0.462 176.733 176.870 0.542 0.000 1.149 10 L CA 1.727 56.840 54.840 0.456 0.000 0.972 10 L CB -1.267 41.073 42.059 0.468 0.000 2.059 10 L HN 0.905 nan 8.230 nan 0.000 0.870 11 S N -1.079 114.863 115.700 0.404 0.000 2.457 11 S HA 0.609 4.944 4.470 -0.224 0.000 0.289 11 S C -0.045 174.555 174.600 0.000 0.000 1.163 11 S CA -0.013 58.314 58.200 0.213 0.000 1.078 11 S CB 1.648 64.932 63.200 0.140 0.000 0.987 11 S HN 0.522 nan 8.310 nan 0.000 0.482 12 V N 6.258 125.939 119.914 -0.389 0.000 2.732 12 V HA 0.730 4.716 4.120 -0.224 0.000 0.297 12 V C -2.348 173.372 176.094 -0.623 0.000 1.060 12 V CA -1.624 60.014 62.300 -1.103 0.000 1.038 12 V CB 1.049 31.988 31.823 -1.475 0.000 1.003 12 V HN 0.941 nan 8.190 nan 0.000 0.481 13 P HA 0.416 nan 4.420 nan 0.000 0.304 13 P C 0.294 177.421 177.300 -0.289 0.000 1.365 13 P CA -0.474 62.404 63.100 -0.371 0.000 0.935 13 P CB 2.020 33.487 31.700 -0.388 0.000 1.091 14 S N 2.179 117.772 115.700 -0.178 0.000 2.368 14 S HA -0.169 4.166 4.470 -0.224 0.000 0.225 14 S C 0.754 175.301 174.600 -0.089 0.000 1.030 14 S CA 0.836 58.961 58.200 -0.124 0.000 0.999 14 S CB -0.859 62.298 63.200 -0.071 0.000 0.844 14 S HN 0.668 nan 8.310 nan 0.000 0.459 15 N N 0.286 118.959 118.700 -0.044 0.000 2.476 15 N HA 0.378 4.983 4.740 -0.224 0.000 0.257 15 N C 0.206 175.695 175.510 -0.034 0.000 0.970 15 N CA -0.550 52.456 53.050 -0.074 0.000 0.938 15 N CB 0.811 39.225 38.487 -0.121 0.000 1.144 15 N HN -0.132 nan 8.380 nan 0.000 0.500 16 K N 2.023 122.409 120.400 -0.023 0.000 2.147 16 K HA -0.115 4.071 4.320 -0.224 0.000 0.205 16 K C 2.072 178.735 176.600 0.106 0.000 1.049 16 K CA 1.806 58.145 56.287 0.086 0.000 0.936 16 K CB -0.335 32.217 32.500 0.088 0.000 0.722 16 K HN 0.716 nan 8.250 nan 0.000 0.446 17 E N 0.557 120.742 120.200 -0.026 0.000 2.047 17 E HA -0.178 4.038 4.350 -0.224 0.000 0.191 17 E C 1.859 178.493 176.600 0.058 0.000 0.987 17 E CA 1.565 57.961 56.400 -0.006 0.000 0.799 17 E CB -0.892 28.744 29.700 -0.106 0.000 0.752 17 E HN 0.425 nan 8.360 nan 0.000 0.449 18 H N -0.654 118.450 119.070 0.057 0.000 2.353 18 H HA -0.132 4.289 4.556 -0.224 0.000 0.298 18 H C 2.194 177.550 175.328 0.047 0.000 1.103 18 H CA 1.849 57.904 56.048 0.011 0.000 1.293 18 H CB -0.697 29.050 29.762 -0.025 0.000 1.372 18 H HN 0.666 nan 8.280 nan 0.000 0.501 19 H N 0.116 119.256 119.070 0.117 0.000 2.326 19 H HA -0.158 4.262 4.556 -0.226 0.000 0.301 19 H C 2.316 177.687 175.328 0.072 0.000 1.081 19 H CA 1.787 57.885 56.048 0.083 0.000 1.334 19 H CB -0.627 29.202 29.762 0.111 0.000 1.385 19 H HN 0.332 nan 8.280 nan 0.000 0.504 20 Y N 1.347 121.608 120.300 -0.065 0.000 2.128 20 Y HA -0.211 4.204 4.550 -0.225 0.000 0.284 20 Y C 2.518 178.331 175.900 -0.145 0.000 1.154 20 Y CA 2.007 60.042 58.100 -0.107 0.000 1.149 20 Y CB -0.265 38.202 38.460 0.012 0.000 0.976 20 Y HN 0.084 nan 8.280 nan 0.000 0.505 21 R N 0.142 120.580 120.500 -0.102 0.000 2.103 21 R HA -0.207 3.998 4.340 -0.224 0.000 0.242 21 R C 1.978 178.067 176.300 -0.351 0.000 1.142 21 R CA 1.534 57.513 56.100 -0.202 0.000 0.960 21 R CB -0.474 29.803 30.300 -0.038 0.000 0.858 21 R HN 0.410 nan 8.270 nan 0.000 0.439 22 N N 0.793 119.316 118.700 -0.296 0.000 2.058 22 N HA -0.125 4.480 4.740 -0.224 0.000 0.191 22 N C 1.906 177.148 175.510 -0.447 0.000 1.037 22 N CA 1.181 54.029 53.050 -0.337 0.000 0.848 22 N CB -0.292 38.084 38.487 -0.185 0.000 1.021 22 N HN 0.172 nan 8.380 nan 0.000 0.422 23 L N 0.765 121.670 121.223 -0.530 0.000 2.042 23 L HA -0.139 4.067 4.340 -0.224 0.000 0.210 23 L C 2.638 178.882 176.870 -1.044 0.000 1.076 23 L CA 1.090 55.564 54.840 -0.609 0.000 0.749 23 L CB -0.345 41.380 42.059 -0.557 0.000 0.893 23 L HN 0.195 nan 8.230 nan 0.000 0.432 24 R N 0.351 120.107 120.500 -1.241 0.000 2.083 24 R HA -0.205 4.000 4.340 -0.224 0.000 0.237 24 R C 1.877 177.862 176.300 -0.525 0.000 1.137 24 R CA 2.167 57.620 56.100 -1.079 0.000 0.951 24 R CB -0.194 29.647 30.300 -0.766 0.000 0.851 24 R HN 0.258 nan 8.270 nan 0.000 0.434 25 D N -0.242 119.899 120.400 -0.432 0.000 2.104 25 D HA -0.206 4.300 4.640 -0.224 0.000 0.194 25 D C 1.953 178.158 176.300 -0.158 0.000 0.994 25 D CA 1.638 55.465 54.000 -0.287 0.000 0.830 25 D CB -0.242 40.293 40.800 -0.441 0.000 0.959 25 D HN 0.323 nan 8.370 nan 0.000 0.452 26 R N -0.746 119.584 120.500 -0.284 0.000 2.096 26 R HA -0.137 4.068 4.340 -0.224 0.000 0.235 26 R C 1.581 177.685 176.300 -0.327 0.000 1.127 26 R CA 1.310 57.264 56.100 -0.243 0.000 0.968 26 R CB -0.281 29.689 30.300 -0.550 0.000 0.861 26 R HN 0.300 nan 8.270 nan 0.000 0.440 27 Y N 0.281 120.509 120.300 -0.119 0.000 2.481 27 Y HA 0.223 4.638 4.550 -0.224 0.000 0.258 27 Y C 0.522 176.469 175.900 0.079 0.000 1.103 27 Y CA -0.183 57.919 58.100 0.003 0.000 1.287 27 Y CB 0.592 39.102 38.460 0.084 0.000 1.108 27 Y HN -0.055 nan 8.280 nan 0.000 0.529 28 T N 2.240 116.900 114.554 0.176 0.000 2.946 28 T HA -0.117 4.099 4.350 -0.224 0.000 0.312 28 T C 0.577 175.354 174.700 0.127 0.000 1.066 28 T CA 0.591 62.794 62.100 0.171 0.000 1.138 28 T CB 0.045 68.979 68.868 0.111 0.000 1.014 28 T HN 0.424 nan 8.240 nan 0.000 0.544 29 N N -1.505 117.257 118.700 0.104 0.000 2.809 29 N HA -0.193 4.413 4.740 -0.224 0.000 0.244 29 N C 0.337 175.883 175.510 0.060 0.000 1.018 29 N CA 0.824 53.912 53.050 0.064 0.000 0.917 29 N CB -1.871 36.651 38.487 0.058 0.000 1.130 29 N HN 0.752 nan 8.380 nan 0.000 0.591 30 c N 1.359 120.023 118.600 0.107 0.000 2.637 30 c HA 0.348 4.784 4.570 -0.224 0.000 0.418 30 c C 2.324 176.476 174.090 0.102 0.000 1.319 30 c CA 0.745 57.149 56.329 0.125 0.000 1.949 30 c CB -0.013 42.618 42.510 0.201 0.000 2.639 30 c HN 0.610 nan 8.230 nan 0.000 0.594 31 T N 1.721 116.338 114.554 0.105 0.000 3.018 31 T HA 0.140 4.355 4.350 -0.224 0.000 0.246 31 T C -0.073 174.732 174.700 0.175 0.000 1.026 31 T CA 0.306 62.462 62.100 0.093 0.000 1.081 31 T CB -0.089 68.806 68.868 0.044 0.000 0.970 31 T HN 0.726 nan 8.240 nan 0.000 0.475 32 Y N 2.046 122.379 120.300 0.055 0.000 2.333 32 Y HA 0.603 5.019 4.550 -0.224 0.000 0.324 32 Y C -1.063 174.878 175.900 0.069 0.000 1.033 32 Y CA -1.771 56.351 58.100 0.038 0.000 1.224 32 Y CB 1.882 40.354 38.460 0.020 0.000 1.120 32 Y HN 0.092 nan 8.280 nan 0.000 0.457 33 V N 6.355 126.123 119.914 -0.243 0.000 2.348 33 V HA 0.336 4.322 4.120 -0.224 0.000 0.270 33 V C -0.645 175.219 176.094 -0.384 0.000 1.037 33 V CA -0.233 61.973 62.300 -0.157 0.000 0.872 33 V CB 0.847 32.713 31.823 0.071 0.000 1.002 33 V HN 0.824 nan 8.190 nan 0.000 0.464 34 D N 5.591 125.829 120.400 -0.270 0.000 2.422 34 D HA 0.627 5.132 4.640 -0.224 0.000 0.227 34 D C 0.375 176.624 176.300 -0.085 0.000 1.190 34 D CA 1.483 55.371 54.000 -0.187 0.000 0.905 34 D CB 0.299 41.163 40.800 0.106 0.000 1.034 34 D HN 1.180 nan 8.370 nan 0.000 0.507 35 G N 2.949 111.680 108.800 -0.116 0.000 2.302 35 G HA2 -0.079 3.746 3.960 -0.224 0.000 0.276 35 G HA3 -0.079 3.746 3.960 -0.224 0.000 0.276 35 G C -1.131 173.673 174.900 -0.160 0.000 1.316 35 G CA -1.004 44.040 45.100 -0.093 0.000 0.988 35 G HN 0.423 nan 8.290 nan 0.000 0.479 36 N N 0.215 118.778 118.700 -0.227 0.000 2.473 36 N HA 0.484 5.089 4.740 -0.224 0.000 0.291 36 N C -0.660 174.747 175.510 -0.173 0.000 1.083 36 N CA -0.396 52.395 53.050 -0.432 0.000 0.951 36 N CB 2.286 40.157 38.487 -1.026 0.000 1.164 36 N HN 0.581 nan 8.380 nan 0.000 0.480 37 L N 1.953 123.100 121.223 -0.126 0.000 2.264 37 L HA 0.270 4.476 4.340 -0.224 0.000 0.287 37 L C -0.272 176.613 176.870 0.026 0.000 1.039 37 L CA -0.546 54.295 54.840 0.001 0.000 0.829 37 L CB 0.235 42.247 42.059 -0.079 0.000 1.211 37 L HN 0.541 nan 8.230 nan 0.000 0.427 38 E N 6.340 126.610 120.200 0.117 0.000 2.145 38 E HA 0.289 4.505 4.350 -0.224 0.000 0.262 38 E C -1.017 175.702 176.600 0.198 0.000 0.883 38 E CA -0.753 55.743 56.400 0.160 0.000 0.748 38 E CB 1.865 31.686 29.700 0.201 0.000 1.140 38 E HN 0.585 nan 8.360 nan 0.000 0.417 39 L N 3.916 125.243 121.223 0.172 0.000 2.312 39 L HA 0.209 4.414 4.340 -0.224 0.000 0.287 39 L C -0.045 176.952 176.870 0.212 0.000 1.091 39 L CA -0.104 54.855 54.840 0.199 0.000 0.846 39 L CB 0.206 42.367 42.059 0.170 0.000 1.219 39 L HN 0.648 nan 8.230 nan 0.000 0.439 40 T N -1.668 113.090 114.554 0.340 0.000 2.912 40 T HA 0.295 4.511 4.350 -0.224 0.000 0.288 40 T C 0.071 175.091 174.700 0.533 0.000 1.030 40 T CA -0.595 61.724 62.100 0.365 0.000 1.020 40 T CB 1.367 70.524 68.868 0.481 0.000 1.056 40 T HN 0.520 nan 8.240 nan 0.000 0.480 41 W N 1.359 122.824 121.300 0.276 0.000 6.840 41 W HA -0.153 4.374 4.660 -0.221 0.000 0.413 41 W C -1.101 175.581 176.519 0.271 0.000 1.605 41 W CA -0.005 57.479 57.345 0.231 0.000 1.122 41 W CB -1.522 27.994 29.460 0.093 0.000 2.811 41 W HN 0.578 nan 8.180 nan 0.000 1.578 42 L N 2.947 124.380 121.223 0.349 0.000 2.272 42 L HA 0.177 4.383 4.340 -0.224 0.000 0.284 42 L C -0.939 176.050 176.870 0.197 0.000 1.045 42 L CA -1.369 53.636 54.840 0.275 0.000 0.842 42 L CB 0.868 43.069 42.059 0.236 0.000 1.224 42 L HN -0.282 nan 8.230 nan 0.000 0.430 43 P HA 0.046 nan 4.420 nan 0.000 0.251 43 P C -0.121 177.233 177.300 0.090 0.000 1.198 43 P CA 0.172 63.362 63.100 0.149 0.000 0.847 43 P CB 0.445 32.255 31.700 0.182 0.000 1.082 44 N N 1.461 120.198 118.700 0.062 0.000 2.420 44 N HA 0.027 4.632 4.740 -0.224 0.000 0.262 44 N C 0.676 176.192 175.510 0.010 0.000 1.144 44 N CA 0.180 53.240 53.050 0.018 0.000 0.952 44 N CB 0.854 39.323 38.487 -0.029 0.000 1.081 44 N HN 0.205 nan 8.380 nan 0.000 0.480 45 E N 1.243 121.456 120.200 0.023 0.000 2.338 45 E HA -0.201 4.014 4.350 -0.224 0.000 0.197 45 E C 1.080 177.683 176.600 0.006 0.000 1.007 45 E CA 0.782 57.200 56.400 0.030 0.000 0.849 45 E CB -0.008 29.724 29.700 0.054 0.000 0.774 45 E HN 0.599 nan 8.360 nan 0.000 0.506 46 N N 1.007 119.696 118.700 -0.019 0.000 2.409 46 N HA -0.095 4.511 4.740 -0.224 0.000 0.179 46 N C 0.436 175.904 175.510 -0.071 0.000 1.032 46 N CA 0.301 53.328 53.050 -0.038 0.000 0.898 46 N CB -0.364 38.096 38.487 -0.046 0.000 0.971 46 N HN 0.082 nan 8.380 nan 0.000 0.441 47 L N 0.768 121.926 121.223 -0.108 0.000 2.543 47 L HA -0.027 4.178 4.340 -0.224 0.000 0.285 47 L C 0.220 177.056 176.870 -0.057 0.000 1.236 47 L CA 0.195 54.920 54.840 -0.191 0.000 0.871 47 L CB 0.048 41.982 42.059 -0.208 0.000 1.121 47 L HN 0.211 nan 8.230 nan 0.000 0.501 48 D N 3.577 123.982 120.400 0.008 0.000 2.329 48 D HA 0.247 4.753 4.640 -0.224 0.000 0.232 48 D C -0.036 176.333 176.300 0.115 0.000 1.088 48 D CA -0.190 53.855 54.000 0.075 0.000 0.835 48 D CB 0.996 41.859 40.800 0.105 0.000 1.078 48 D HN 0.318 nan 8.370 nan 0.000 0.495 49 L N 3.316 124.464 121.223 -0.124 0.000 2.978 49 L HA 0.113 4.318 4.340 -0.224 0.000 0.239 49 L C 1.533 178.036 176.870 -0.611 0.000 1.293 49 L CA -0.186 54.338 54.840 -0.527 0.000 1.085 49 L CB -0.088 41.682 42.059 -0.481 0.000 1.432 49 L HN 0.354 nan 8.230 nan 0.000 0.512 50 S N -1.067 114.449 115.700 -0.306 0.000 2.603 50 S HA -0.095 4.240 4.470 -0.224 0.000 0.220 50 S C 1.559 176.076 174.600 -0.138 0.000 0.967 50 S CA -0.082 58.003 58.200 -0.193 0.000 0.920 50 S CB -0.544 62.623 63.200 -0.055 0.000 0.773 50 S HN 0.578 nan 8.310 nan 0.000 0.529 51 F N 0.994 120.916 119.950 -0.047 0.000 2.407 51 F HA 0.324 4.716 4.527 -0.225 0.000 0.299 51 F C 1.523 177.281 175.800 -0.070 0.000 1.097 51 F CA 0.035 58.015 58.000 -0.033 0.000 1.422 51 F CB -0.739 38.256 39.000 -0.008 0.000 1.067 51 F HN 0.110 nan 8.300 nan 0.000 0.539 52 L N 0.591 121.565 121.223 -0.416 0.000 2.551 52 L HA -0.085 4.120 4.340 -0.224 0.000 0.228 52 L C 1.434 178.172 176.870 -0.221 0.000 1.153 52 L CA 0.534 55.137 54.840 -0.394 0.000 0.851 52 L CB -0.860 40.684 42.059 -0.857 0.000 0.959 52 L HN 0.083 nan 8.230 nan 0.000 0.451 53 D N 0.589 120.899 120.400 -0.151 0.000 2.178 53 D HA -0.133 4.373 4.640 -0.224 0.000 0.201 53 D C 1.582 177.855 176.300 -0.045 0.000 0.980 53 D CA 1.086 55.029 54.000 -0.096 0.000 0.842 53 D CB 0.038 40.797 40.800 -0.067 0.000 0.948 53 D HN 0.391 nan 8.370 nan 0.000 0.472 54 N N -0.272 118.419 118.700 -0.015 0.000 2.184 54 N HA 0.091 4.696 4.740 -0.224 0.000 0.206 54 N C 0.269 175.786 175.510 0.013 0.000 1.151 54 N CA -0.120 52.923 53.050 -0.012 0.000 0.878 54 N CB 1.529 39.999 38.487 -0.027 0.000 1.014 54 N HN 0.191 nan 8.380 nan 0.000 0.512 55 I N 1.646 122.240 120.570 0.040 0.000 2.668 55 I HA -0.049 3.986 4.170 -0.224 0.000 0.285 55 I C 1.698 177.848 176.117 0.055 0.000 1.168 55 I CA 0.501 61.843 61.300 0.069 0.000 1.424 55 I CB 0.892 38.949 38.000 0.095 0.000 1.377 55 I HN 0.028 nan 8.210 nan 0.000 0.560 56 R N 4.520 125.051 120.500 0.050 0.000 2.310 56 R HA 0.257 4.463 4.340 -0.224 0.000 0.199 56 R C 0.182 176.496 176.300 0.023 0.000 0.891 56 R CA 0.239 56.358 56.100 0.031 0.000 1.060 56 R CB 0.879 31.198 30.300 0.031 0.000 1.188 56 R HN 0.735 nan 8.270 nan 0.000 0.607 57 E N 0.238 120.459 120.200 0.036 0.000 2.343 57 E HA 0.314 4.529 4.350 -0.224 0.000 0.278 57 E C -1.862 174.675 176.600 -0.106 0.000 0.910 57 E CA -0.688 55.711 56.400 -0.001 0.000 0.757 57 E CB 2.799 32.549 29.700 0.084 0.000 1.218 57 E HN -0.103 nan 8.360 nan 0.000 0.435 58 V N 3.128 122.962 119.914 -0.133 0.000 2.483 58 V HA 0.160 4.146 4.120 -0.224 0.000 0.297 58 V C 1.116 177.100 176.094 -0.183 0.000 1.027 58 V CA -0.232 61.960 62.300 -0.181 0.000 0.855 58 V CB 1.429 33.185 31.823 -0.113 0.000 0.995 58 V HN 0.986 nan 8.190 nan 0.000 0.424 59 T N 1.285 115.681 114.554 -0.264 0.000 2.904 59 T HA 0.054 4.269 4.350 -0.224 0.000 0.267 59 T C 1.222 175.867 174.700 -0.092 0.000 1.059 59 T CA 1.012 63.005 62.100 -0.178 0.000 1.137 59 T CB 0.119 68.862 68.868 -0.209 0.000 0.879 59 T HN 0.768 nan 8.240 nan 0.000 0.467 60 G N 0.914 109.652 108.800 -0.104 0.000 3.182 60 G HA2 0.534 4.359 3.960 -0.224 0.000 0.167 60 G HA3 0.534 4.359 3.960 -0.224 0.000 0.167 60 G C -0.504 174.401 174.900 0.009 0.000 1.537 60 G CA -0.608 44.456 45.100 -0.060 0.000 1.046 60 G HN 0.607 nan 8.290 nan 0.000 0.580 61 Y N -1.147 119.172 120.300 0.032 0.000 2.534 61 Y HA 0.784 5.200 4.550 -0.224 0.000 0.329 61 Y C -0.455 175.450 175.900 0.009 0.000 1.154 61 Y CA -2.028 56.094 58.100 0.037 0.000 1.192 61 Y CB 1.081 39.602 38.460 0.100 0.000 1.275 61 Y HN 0.243 nan 8.280 nan 0.000 0.491 62 I N 3.439 124.156 120.570 0.245 0.000 2.362 62 I HA 0.296 4.331 4.170 -0.224 0.000 0.289 62 I C -1.216 175.009 176.117 0.179 0.000 0.994 62 I CA -0.747 60.626 61.300 0.122 0.000 1.158 62 I CB 1.615 39.573 38.000 -0.070 0.000 1.315 62 I HN 0.553 nan 8.210 nan 0.000 0.451 63 L N 8.571 129.898 121.223 0.175 0.000 2.305 63 L HA 0.596 4.801 4.340 -0.224 0.000 0.284 63 L C -0.900 175.975 176.870 0.009 0.000 1.013 63 L CA -0.027 54.816 54.840 0.005 0.000 0.819 63 L CB 1.110 43.132 42.059 -0.062 0.000 1.227 63 L HN 0.434 nan 8.230 nan 0.000 0.417 64 I N 4.566 125.103 120.570 -0.054 0.000 2.420 64 I HA 0.430 4.465 4.170 -0.224 0.000 0.282 64 I C -0.507 175.556 176.117 -0.090 0.000 1.019 64 I CA -0.197 61.097 61.300 -0.010 0.000 1.130 64 I CB 1.620 39.637 38.000 0.028 0.000 1.262 64 I HN 0.641 nan 8.210 nan 0.000 0.454 65 S N 4.304 119.964 115.700 -0.066 0.000 2.548 65 S HA 0.471 4.806 4.470 -0.224 0.000 0.276 65 S C -0.387 174.105 174.600 -0.179 0.000 1.129 65 S CA -0.378 57.736 58.200 -0.143 0.000 0.931 65 S CB 0.535 63.672 63.200 -0.104 0.000 1.068 65 S HN 0.786 nan 8.310 nan 0.000 0.480 66 H N 0.158 119.032 119.070 -0.326 0.000 2.677 66 H HA -0.116 4.309 4.556 -0.219 0.000 0.321 66 H C -0.633 174.581 175.328 -0.190 0.000 1.171 66 H CA 0.956 56.767 56.048 -0.395 0.000 1.139 66 H CB -1.722 27.378 29.762 -1.103 0.000 1.515 66 H HN 0.339 nan 8.280 nan 0.000 0.423 67 V N 0.570 120.464 119.914 -0.033 0.000 2.417 67 V HA 0.193 4.178 4.120 -0.224 0.000 0.291 67 V C 0.723 176.828 176.094 0.019 0.000 1.024 67 V CA -0.396 61.925 62.300 0.035 0.000 0.861 67 V CB 1.980 33.832 31.823 0.049 0.000 0.985 67 V HN 0.395 nan 8.190 nan 0.000 0.436 68 D N 1.710 122.138 120.400 0.047 0.000 2.469 68 D HA 0.087 4.592 4.640 -0.224 0.000 0.213 68 D C 0.596 176.918 176.300 0.038 0.000 1.135 68 D CA 0.261 54.279 54.000 0.030 0.000 0.834 68 D CB 1.438 42.269 40.800 0.051 0.000 1.009 68 D HN 0.423 nan 8.370 nan 0.000 0.507 69 V N 0.846 120.789 119.914 0.049 0.000 2.740 69 V HA 0.313 4.298 4.120 -0.224 0.000 0.303 69 V C 1.528 177.671 176.094 0.081 0.000 1.054 69 V CA 0.595 62.928 62.300 0.055 0.000 1.106 69 V CB 1.232 33.075 31.823 0.034 0.000 0.957 69 V HN 0.143 nan 8.190 nan 0.000 0.486 70 K N 5.139 125.616 120.400 0.127 0.000 2.032 70 K HA -0.026 4.159 4.320 -0.224 0.000 0.209 70 K C 1.128 177.844 176.600 0.194 0.000 1.048 70 K CA 2.053 58.487 56.287 0.246 0.000 0.927 70 K CB -0.525 32.122 32.500 0.245 0.000 0.712 70 K HN 0.845 nan 8.250 nan 0.000 0.441 71 K N 0.247 120.713 120.400 0.110 0.000 2.413 71 K HA 0.543 4.728 4.320 -0.224 0.000 0.257 71 K C -1.531 175.095 176.600 0.043 0.000 0.946 71 K CA -0.800 55.541 56.287 0.090 0.000 0.823 71 K CB 2.376 34.917 32.500 0.069 0.000 1.109 71 K HN 0.010 nan 8.250 nan 0.000 0.427 72 V N 3.614 123.564 119.914 0.060 0.000 2.370 72 V HA 0.290 4.276 4.120 -0.224 0.000 0.283 72 V C -0.383 175.736 176.094 0.041 0.000 1.023 72 V CA -0.796 61.511 62.300 0.011 0.000 0.857 72 V CB 1.521 33.387 31.823 0.070 0.000 0.985 72 V HN 0.587 nan 8.190 nan 0.000 0.443 73 V N 2.542 122.403 119.914 -0.089 0.000 2.483 73 V HA 0.633 4.618 4.120 -0.224 0.000 0.297 73 V C -1.004 174.989 176.094 -0.168 0.000 1.027 73 V CA -0.644 61.633 62.300 -0.039 0.000 0.855 73 V CB 1.467 33.264 31.823 -0.043 0.000 0.995 73 V HN 0.524 nan 8.190 nan 0.000 0.424 74 F N 6.207 126.078 119.950 -0.132 0.000 2.351 74 F HA 0.508 4.899 4.527 -0.227 0.000 0.362 74 F C -1.514 174.194 175.800 -0.153 0.000 1.131 74 F CA -2.363 55.548 58.000 -0.147 0.000 1.187 74 F CB 1.189 40.096 39.000 -0.156 0.000 1.434 74 F HN 0.393 nan 8.300 nan 0.000 0.553 75 P HA -0.131 nan 4.420 nan 0.000 0.218 75 P C 0.806 178.085 177.300 -0.035 0.000 1.149 75 P CA 1.534 64.610 63.100 -0.040 0.000 0.817 75 P CB 0.304 31.972 31.700 -0.052 0.000 0.785 76 K N -1.924 118.469 120.400 -0.013 0.000 2.440 76 K HA 0.174 4.360 4.320 -0.224 0.000 0.207 76 K C 0.407 177.000 176.600 -0.011 0.000 1.112 76 K CA -0.452 55.825 56.287 -0.016 0.000 1.036 76 K CB 0.093 32.586 32.500 -0.012 0.000 0.935 76 K HN 0.041 nan 8.250 nan 0.000 0.564 77 L N 3.323 124.553 121.223 0.012 0.000 2.559 77 L HA -0.104 4.102 4.340 -0.224 0.000 0.274 77 L C 1.046 177.874 176.870 -0.071 0.000 1.205 77 L CA 0.970 55.802 54.840 -0.015 0.000 0.907 77 L CB 0.461 42.510 42.059 -0.017 0.000 1.153 77 L HN 0.216 nan 8.230 nan 0.000 0.490 78 Q N 4.787 124.556 119.800 -0.052 0.000 2.245 78 Q HA 0.330 4.535 4.340 -0.224 0.000 0.250 78 Q C -0.421 175.558 176.000 -0.036 0.000 0.830 78 Q CA -0.258 55.513 55.803 -0.053 0.000 0.950 78 Q CB 1.036 29.756 28.738 -0.030 0.000 1.124 78 Q HN 0.505 nan 8.270 nan 0.000 0.502 79 I N 1.773 122.325 120.570 -0.031 0.000 2.607 79 I HA 0.467 4.502 4.170 -0.224 0.000 0.290 79 I C -1.019 175.082 176.117 -0.027 0.000 1.129 79 I CA -1.070 60.221 61.300 -0.014 0.000 1.042 79 I CB 2.329 40.328 38.000 -0.001 0.000 1.242 79 I HN 0.122 nan 8.210 nan 0.000 0.421 80 I N 5.811 126.373 120.570 -0.013 0.000 2.382 80 I HA 0.389 4.425 4.170 -0.224 0.000 0.285 80 I C 1.386 177.505 176.117 0.003 0.000 1.007 80 I CA -0.480 60.810 61.300 -0.016 0.000 1.142 80 I CB 1.605 39.603 38.000 -0.003 0.000 1.289 80 I HN 0.483 nan 8.210 nan 0.000 0.453 81 R N 3.996 124.489 120.500 -0.012 0.000 2.119 81 R HA 0.055 4.260 4.340 -0.224 0.000 0.222 81 R C 1.342 177.650 176.300 0.015 0.000 1.088 81 R CA 0.724 56.822 56.100 -0.004 0.000 0.984 81 R CB -0.060 30.225 30.300 -0.025 0.000 0.884 81 R HN 0.988 nan 8.270 nan 0.000 0.447 82 G N 2.081 110.900 108.800 0.032 0.000 2.356 82 G HA2 -0.325 3.501 3.960 -0.224 0.000 0.296 82 G HA3 -0.325 3.501 3.960 -0.224 0.000 0.296 82 G C 0.688 175.617 174.900 0.049 0.000 1.022 82 G CA 0.666 45.805 45.100 0.066 0.000 0.961 82 G HN 0.371 nan 8.290 nan 0.000 0.510 83 R N -0.460 120.058 120.500 0.030 0.000 2.148 83 R HA 0.013 4.218 4.340 -0.224 0.000 0.227 83 R C 1.273 177.602 176.300 0.047 0.000 1.103 83 R CA 1.554 57.667 56.100 0.023 0.000 0.983 83 R CB -0.097 30.206 30.300 0.004 0.000 0.874 83 R HN 0.669 nan 8.270 nan 0.000 0.451 84 T N -1.298 113.307 114.554 0.084 0.000 2.861 84 T HA 0.628 4.844 4.350 -0.224 0.000 0.287 84 T C -0.336 174.515 174.700 0.252 0.000 1.003 84 T CA -0.883 61.300 62.100 0.138 0.000 0.977 84 T CB 2.043 70.997 68.868 0.143 0.000 0.996 84 T HN -0.099 nan 8.240 nan 0.000 0.448 85 L N 2.175 123.518 121.223 0.199 0.000 2.333 85 L HA 0.677 4.882 4.340 -0.224 0.000 0.269 85 L C -0.827 176.021 176.870 -0.037 0.000 1.010 85 L CA -1.331 53.594 54.840 0.142 0.000 0.818 85 L CB 2.052 44.109 42.059 -0.003 0.000 1.306 85 L HN 0.738 nan 8.230 nan 0.000 0.430 86 F N 2.149 121.762 119.950 -0.562 0.000 2.405 86 F HA 0.567 4.958 4.527 -0.226 0.000 0.355 86 F C 0.047 175.580 175.800 -0.445 0.000 1.121 86 F CA -0.178 57.328 58.000 -0.823 0.000 1.112 86 F CB 1.152 39.264 39.000 -1.480 0.000 1.126 86 F HN 0.450 nan 8.300 nan 0.000 0.481 87 S N 6.366 121.457 115.700 -1.015 0.000 2.546 87 S HA 0.688 5.024 4.470 -0.224 0.000 0.274 87 S C -0.808 173.244 174.600 -0.912 0.000 1.121 87 S CA -0.972 56.716 58.200 -0.853 0.000 0.887 87 S CB 1.321 64.240 63.200 -0.468 0.000 1.094 87 S HN 0.753 nan 8.310 nan 0.000 0.474 88 L N 1.878 122.697 121.223 -0.672 0.000 2.425 88 L HA 0.357 4.562 4.340 -0.224 0.000 0.225 88 L C 1.285 178.003 176.870 -0.254 0.000 1.222 88 L CA -0.479 54.115 54.840 -0.410 0.000 0.832 88 L CB 0.185 42.123 42.059 -0.203 0.000 1.238 88 L HN 0.778 nan 8.230 nan 0.000 0.533 93 E N 1.285 121.364 120.200 -0.201 0.000 2.437 93 E HA 0.459 4.674 4.350 -0.224 0.000 0.263 93 E C -0.008 176.245 176.600 -0.578 0.000 1.030 93 E CA 0.615 56.802 56.400 -0.354 0.000 0.934 93 E CB -0.063 29.433 29.700 -0.339 0.000 0.943 93 E HN 0.462 nan 8.360 nan 0.000 0.444 94 K N 1.248 121.248 120.400 -0.667 0.000 2.358 94 K HA 0.477 4.663 4.320 -0.224 0.000 0.260 94 K C -1.393 174.826 176.600 -0.634 0.000 0.956 94 K CA -0.462 55.492 56.287 -0.556 0.000 0.834 94 K CB 1.481 33.800 32.500 -0.302 0.000 1.102 94 K HN 0.615 nan 8.250 nan 0.000 0.431 95 Y N 0.025 120.223 120.300 -0.169 0.000 2.387 95 Y HA 0.312 4.730 4.550 -0.220 0.000 0.336 95 Y C 0.941 176.829 175.900 -0.020 0.000 1.067 95 Y CA -0.565 57.483 58.100 -0.086 0.000 1.114 95 Y CB 1.946 40.367 38.460 -0.064 0.000 1.208 95 Y HN 0.748 nan 8.280 nan 0.000 0.458 96 A N 2.105 125.027 122.820 0.170 0.000 2.014 96 A HA 0.233 4.418 4.320 -0.224 0.000 0.210 96 A C -0.334 177.343 177.584 0.155 0.000 1.188 96 A CA 0.512 52.647 52.037 0.163 0.000 0.731 96 A CB 0.366 19.427 19.000 0.103 0.000 0.858 96 A HN 0.493 nan 8.150 nan 0.000 0.464 97 L N -1.001 120.283 121.223 0.101 0.000 2.406 97 L HA 0.719 4.924 4.340 -0.224 0.000 0.272 97 L C -1.657 175.151 176.870 -0.103 0.000 0.980 97 L CA -0.783 54.041 54.840 -0.027 0.000 0.831 97 L CB 1.413 43.405 42.059 -0.112 0.000 1.253 97 L HN 0.202 nan 8.230 nan 0.000 0.406 98 F N 5.335 125.070 119.950 -0.358 0.000 2.562 98 F HA 0.717 5.113 4.527 -0.218 0.000 0.319 98 F C -1.246 174.281 175.800 -0.454 0.000 1.154 98 F CA -0.606 57.076 58.000 -0.531 0.000 0.931 98 F CB 1.836 40.556 39.000 -0.468 0.000 1.198 98 F HN 0.158 nan 8.300 nan 0.000 0.444 99 V N 4.530 123.866 119.914 -0.963 0.000 2.380 99 V HA 0.474 4.459 4.120 -0.224 0.000 0.286 99 V C -0.463 175.249 176.094 -0.636 0.000 1.015 99 V CA -0.475 61.480 62.300 -0.574 0.000 0.834 99 V CB 1.500 33.184 31.823 -0.232 0.000 1.009 99 V HN 0.812 nan 8.190 nan 0.000 0.428 100 T N 0.033 114.250 114.554 -0.562 0.000 2.907 100 T HA 0.640 4.856 4.350 -0.224 0.000 0.292 100 T C -0.085 174.380 174.700 -0.392 0.000 1.043 100 T CA -0.639 61.135 62.100 -0.545 0.000 1.003 100 T CB 1.121 69.676 68.868 -0.521 0.000 1.084 100 T HN 0.587 nan 8.240 nan 0.000 0.483 101 Y N -0.402 119.678 120.300 -0.367 0.000 3.396 101 Y HA -0.203 4.204 4.550 -0.238 0.000 0.214 101 Y C 0.642 176.246 175.900 -0.493 0.000 1.203 101 Y CA 0.333 58.143 58.100 -0.483 0.000 1.401 101 Y CB -2.142 35.811 38.460 -0.844 0.000 1.409 101 Y HN 0.728 nan 8.280 nan 0.000 0.594 102 S N -0.533 115.032 115.700 -0.225 0.000 2.578 102 S HA 0.439 4.775 4.470 -0.224 0.000 0.301 102 S C 0.839 175.368 174.600 -0.120 0.000 1.091 102 S CA -1.138 56.970 58.200 -0.154 0.000 1.032 102 S CB 1.803 64.930 63.200 -0.120 0.000 1.064 102 S HN 0.255 nan 8.310 nan 0.000 0.508 103 K N 1.216 121.562 120.400 -0.090 0.000 2.374 103 K HA 0.175 4.360 4.320 -0.224 0.000 0.202 103 K C 0.485 176.956 176.600 -0.215 0.000 1.040 103 K CA -0.114 56.097 56.287 -0.125 0.000 1.085 103 K CB 0.226 32.678 32.500 -0.079 0.000 0.873 103 K HN 0.630 nan 8.250 nan 0.000 0.539 104 M N -0.188 119.340 119.600 -0.120 0.000 2.252 104 M HA -0.031 4.315 4.480 -0.224 0.000 0.329 104 M C 0.009 176.236 176.300 -0.122 0.000 1.101 104 M CA 0.991 56.252 55.300 -0.066 0.000 1.117 104 M CB -0.004 32.611 32.600 0.025 0.000 1.563 104 M HN 0.045 nan 8.290 nan 0.000 0.445 105 Y N 1.339 121.650 120.300 0.018 0.000 2.231 105 Y HA 0.028 4.448 4.550 -0.217 0.000 0.294 105 Y C 1.707 177.615 175.900 0.013 0.000 1.120 105 Y CA 1.762 59.866 58.100 0.006 0.000 1.141 105 Y CB 0.187 38.655 38.460 0.013 0.000 1.022 105 Y HN 0.817 nan 8.280 nan 0.000 0.523 106 T N -0.144 114.540 114.554 0.216 0.000 2.881 106 T HA 0.481 4.696 4.350 -0.224 0.000 0.290 106 T C -1.693 173.121 174.700 0.191 0.000 1.000 106 T CA -0.811 61.409 62.100 0.199 0.000 0.978 106 T CB 1.124 70.129 68.868 0.228 0.000 0.997 106 T HN -0.032 nan 8.240 nan 0.000 0.443 107 L N 4.403 125.765 121.223 0.231 0.000 2.294 107 L HA 0.620 4.825 4.340 -0.224 0.000 0.283 107 L C -0.548 176.539 176.870 0.362 0.000 1.015 107 L CA -0.081 54.928 54.840 0.282 0.000 0.831 107 L CB 1.001 43.251 42.059 0.317 0.000 1.217 107 L HN 0.751 nan 8.230 nan 0.000 0.420 108 E N 6.422 126.779 120.200 0.261 0.000 2.114 108 E HA 0.397 4.613 4.350 -0.224 0.000 0.266 108 E C -0.637 175.945 176.600 -0.030 0.000 0.896 108 E CA -0.027 56.484 56.400 0.185 0.000 0.750 108 E CB 1.364 31.142 29.700 0.129 0.000 1.121 108 E HN 0.593 nan 8.360 nan 0.000 0.413 109 I N 4.734 125.007 120.570 -0.495 0.000 2.934 109 I HA 0.173 4.209 4.170 -0.224 0.000 0.312 109 I C -1.685 173.738 176.117 -1.157 0.000 1.342 109 I CA -1.618 59.197 61.300 -0.808 0.000 0.946 109 I CB 0.619 37.999 38.000 -1.034 0.000 2.034 109 I HN 0.301 nan 8.210 nan 0.000 0.604 110 P HA -0.147 nan 4.420 nan 0.000 0.223 110 P C 0.528 177.630 177.300 -0.330 0.000 1.144 110 P CA 1.422 64.253 63.100 -0.448 0.000 0.783 110 P CB 0.349 31.955 31.700 -0.156 0.000 0.771 111 D N -0.505 119.703 120.400 -0.321 0.000 2.957 111 D HA 0.161 4.666 4.640 -0.224 0.000 0.352 111 D C -0.881 175.306 176.300 -0.188 0.000 1.352 111 D CA -0.628 53.264 54.000 -0.179 0.000 0.831 111 D CB -0.592 40.142 40.800 -0.108 0.000 1.147 111 D HN -0.056 nan 8.370 nan 0.000 0.467 112 L N 1.574 122.637 121.223 -0.266 0.000 2.272 112 L HA 0.416 4.621 4.340 -0.224 0.000 0.284 112 L C 0.938 177.771 176.870 -0.061 0.000 1.045 112 L CA -0.160 54.569 54.840 -0.185 0.000 0.842 112 L CB 0.681 42.571 42.059 -0.281 0.000 1.224 112 L HN -0.147 nan 8.230 nan 0.000 0.430 113 R N 1.783 122.264 120.500 -0.032 0.000 2.140 113 R HA 0.292 4.497 4.340 -0.224 0.000 0.213 113 R C -0.300 176.018 176.300 0.029 0.000 1.059 113 R CA 0.228 56.327 56.100 -0.003 0.000 1.000 113 R CB -0.284 30.020 30.300 0.008 0.000 0.910 113 R HN 0.618 nan 8.270 nan 0.000 0.455 114 D N -0.717 119.707 120.400 0.040 0.000 2.966 114 D HA 0.181 4.686 4.640 -0.224 0.000 0.222 114 D C -1.533 174.807 176.300 0.067 0.000 1.292 114 D CA -0.377 53.660 54.000 0.062 0.000 0.907 114 D CB 2.290 43.125 40.800 0.058 0.000 1.621 114 D HN -0.312 nan 8.370 nan 0.000 0.557 115 V N 5.204 125.175 119.914 0.095 0.000 2.294 115 V HA 0.160 4.145 4.120 -0.224 0.000 0.272 115 V C 1.143 177.281 176.094 0.073 0.000 1.027 115 V CA -0.407 61.946 62.300 0.088 0.000 0.823 115 V CB 1.119 33.019 31.823 0.129 0.000 1.030 115 V HN 0.552 nan 8.190 nan 0.000 0.457 116 L N 3.662 124.916 121.223 0.052 0.000 2.217 116 L HA 0.157 4.362 4.340 -0.224 0.000 0.211 116 L C 1.031 177.924 176.870 0.038 0.000 1.107 116 L CA 1.391 56.257 54.840 0.044 0.000 0.783 116 L CB -0.363 41.715 42.059 0.030 0.000 0.919 116 L HN 0.649 nan 8.230 nan 0.000 0.442 117 N N -1.314 117.408 118.700 0.036 0.000 2.405 117 N HA 0.441 5.047 4.740 -0.224 0.000 0.274 117 N C -0.427 175.097 175.510 0.024 0.000 1.170 117 N CA 0.590 53.655 53.050 0.025 0.000 0.848 117 N CB 1.972 40.469 38.487 0.018 0.000 1.629 117 N HN 0.117 nan 8.380 nan 0.000 0.481 118 G N 1.526 110.325 108.800 -0.001 0.000 2.795 118 G HA2 -0.150 3.676 3.960 -0.224 0.000 0.664 118 G HA3 -0.150 3.676 3.960 -0.224 0.000 0.664 118 G C -1.313 173.575 174.900 -0.020 0.000 1.381 118 G CA -0.645 44.438 45.100 -0.029 0.000 0.853 118 G HN 0.555 nan 8.290 nan 0.000 0.545 119 Q N -1.248 118.512 119.800 -0.066 0.000 2.297 119 Q HA 0.663 4.868 4.340 -0.224 0.000 0.268 119 Q C 0.279 176.342 176.000 0.105 0.000 1.045 119 Q CA -0.821 54.964 55.803 -0.029 0.000 0.861 119 Q CB 2.185 30.835 28.738 -0.146 0.000 1.344 119 Q HN 0.665 nan 8.270 nan 0.000 0.452 120 V N 0.229 120.148 119.914 0.009 0.000 2.607 120 V HA 0.736 4.721 4.120 -0.224 0.000 0.289 120 V C 0.342 176.347 176.094 -0.149 0.000 1.053 120 V CA -0.268 61.915 62.300 -0.194 0.000 0.996 120 V CB 1.519 32.966 31.823 -0.627 0.000 0.995 120 V HN 0.840 nan 8.190 nan 0.000 0.476 121 G N 3.160 111.703 108.800 -0.428 0.000 2.740 121 G HA2 0.683 4.509 3.960 -0.224 0.000 0.296 121 G HA3 0.683 4.509 3.960 -0.224 0.000 0.296 121 G C -1.607 172.736 174.900 -0.929 0.000 1.439 121 G CA -0.385 44.421 45.100 -0.491 0.000 1.066 121 G HN 0.369 nan 8.290 nan 0.000 0.527 122 F N 1.539 121.246 119.950 -0.405 0.000 2.532 122 F HA 0.606 4.998 4.527 -0.226 0.000 0.321 122 F C 0.107 175.662 175.800 -0.409 0.000 1.089 122 F CA -0.750 56.980 58.000 -0.451 0.000 0.926 122 F CB 2.765 41.571 39.000 -0.323 0.000 1.168 122 F HN 0.406 nan 8.300 nan 0.000 0.459 123 H N 3.364 122.164 119.070 -0.451 0.000 3.149 123 H HA 0.220 4.649 4.556 -0.212 0.000 0.334 123 H C -0.850 174.107 175.328 -0.618 0.000 1.000 123 H CA -0.702 55.054 56.048 -0.486 0.000 1.415 123 H CB 1.136 30.586 29.762 -0.520 0.000 1.819 123 H HN 0.735 nan 8.280 nan 0.000 0.486 124 N N 2.971 121.179 118.700 -0.821 0.000 2.783 124 N HA -0.184 4.421 4.740 -0.224 0.000 0.247 124 N C -1.163 173.777 175.510 -0.950 0.000 1.089 124 N CA 0.696 53.187 53.050 -0.932 0.000 0.690 124 N CB -1.258 36.746 38.487 -0.806 0.000 0.991 124 N HN 0.618 nan 8.380 nan 0.000 0.552 125 N N 0.670 118.914 118.700 -0.760 0.000 2.707 125 N HA 0.173 4.778 4.740 -0.224 0.000 0.235 125 N C 0.504 175.739 175.510 -0.459 0.000 1.028 125 N CA -0.309 52.436 53.050 -0.507 0.000 0.906 125 N CB 0.240 38.550 38.487 -0.296 0.000 1.131 125 N HN 0.280 nan 8.380 nan 0.000 0.509 126 Y N 0.758 120.959 120.300 -0.165 0.000 2.421 126 Y HA -0.031 4.505 4.550 -0.024 0.000 0.292 126 Y C 1.348 177.150 175.900 -0.163 0.000 1.136 126 Y CA 0.753 58.764 58.100 -0.148 0.000 1.255 126 Y CB 0.158 38.548 38.460 -0.116 0.000 0.991 126 Y HN 0.318 nan 8.280 nan 0.000 0.552 127 N N -0.572 118.060 118.700 -0.113 0.000 2.322 127 N HA 0.041 4.646 4.740 -0.224 0.000 0.181 127 N C 0.327 175.752 175.510 -0.142 0.000 1.088 127 N CA 0.066 52.993 53.050 -0.204 0.000 0.885 127 N CB 0.139 38.218 38.487 -0.680 0.000 1.013 127 N HN 0.182 nan 8.380 nan 0.000 0.472 128 L N 0.820 121.945 121.223 -0.162 0.000 2.514 128 L HA -0.007 4.198 4.340 -0.224 0.000 0.280 128 L C -0.225 176.542 176.870 -0.172 0.000 1.223 128 L CA 0.458 55.212 54.840 -0.143 0.000 0.864 128 L CB 0.295 42.243 42.059 -0.184 0.000 1.118 128 L HN 0.188 nan 8.230 nan 0.000 0.494 129 c N 1.874 120.371 118.600 -0.171 0.000 3.154 129 c HA 0.496 4.931 4.570 -0.224 0.000 0.312 129 c C 0.687 174.618 174.090 -0.265 0.000 1.349 129 c CA -0.284 55.856 56.329 -0.315 0.000 1.518 129 c CB 1.250 43.456 42.510 -0.507 0.000 1.934 129 c HN 1.089 nan 8.230 nan 0.000 0.462 130 H N -0.060 118.951 119.070 -0.099 0.000 4.392 130 H HA -0.214 4.211 4.556 -0.218 0.000 0.131 130 H C 1.464 176.664 175.328 -0.214 0.000 0.736 130 H CA 1.474 57.444 56.048 -0.129 0.000 1.251 130 H CB -1.019 28.684 29.762 -0.098 0.000 0.781 130 H HN 0.538 nan 8.280 nan 0.000 0.503 131 M N 0.590 120.096 119.600 -0.156 0.000 2.195 131 M HA -0.132 4.213 4.480 -0.224 0.000 0.260 131 M C 2.002 178.260 176.300 -0.069 0.000 1.066 131 M CA 1.707 56.881 55.300 -0.210 0.000 1.089 131 M CB -0.673 31.588 32.600 -0.565 0.000 1.377 131 M HN 0.366 nan 8.290 nan 0.000 0.411 132 R N -0.491 119.958 120.500 -0.084 0.000 2.236 132 R HA -0.022 4.183 4.340 -0.224 0.000 0.208 132 R C 1.794 178.074 176.300 -0.033 0.000 1.036 132 R CA 1.537 57.625 56.100 -0.021 0.000 1.001 132 R CB -0.551 29.724 30.300 -0.042 0.000 0.896 132 R HN 0.534 nan 8.270 nan 0.000 0.464 133 T N -1.660 112.844 114.554 -0.084 0.000 3.169 133 T HA 0.114 4.330 4.350 -0.224 0.000 0.250 133 T C 1.614 176.187 174.700 -0.212 0.000 1.111 133 T CA -0.021 62.020 62.100 -0.098 0.000 1.010 133 T CB -0.041 68.795 68.868 -0.054 0.000 0.984 133 T HN -0.090 nan 8.240 nan 0.000 0.537 134 I N 0.746 121.101 120.570 -0.358 0.000 2.339 134 I HA 0.142 4.177 4.170 -0.224 0.000 0.245 134 I C 1.361 177.159 176.117 -0.532 0.000 1.096 134 I CA 0.938 61.804 61.300 -0.723 0.000 1.408 134 I CB -1.258 35.846 38.000 -1.493 0.000 1.092 134 I HN 0.507 nan 8.210 nan 0.000 0.423 135 Q N -0.530 119.082 119.800 -0.314 0.000 2.430 135 Q HA -0.220 3.985 4.340 -0.224 0.000 0.307 135 Q C 0.143 176.076 176.000 -0.112 0.000 1.434 135 Q CA 0.028 55.777 55.803 -0.089 0.000 0.762 135 Q CB -1.426 27.319 28.738 0.012 0.000 1.093 135 Q HN 0.449 nan 8.270 nan 0.000 0.370 136 W N -0.009 121.303 121.300 0.020 0.000 2.421 136 W HA -0.129 4.395 4.660 -0.227 0.000 0.270 136 W C 2.347 178.900 176.519 0.056 0.000 1.233 136 W CA 1.003 58.376 57.345 0.047 0.000 1.226 136 W CB -0.304 29.201 29.460 0.075 0.000 1.121 136 W HN 0.516 nan 8.180 nan 0.000 0.579 137 S N 0.524 116.367 115.700 0.238 0.000 2.420 137 S HA -0.300 4.036 4.470 -0.224 0.000 0.237 137 S C 1.860 176.541 174.600 0.135 0.000 1.023 137 S CA 1.984 60.283 58.200 0.164 0.000 0.991 137 S CB -0.231 63.042 63.200 0.122 0.000 0.792 137 S HN 0.444 nan 8.310 nan 0.000 0.488 138 E N 0.970 121.242 120.200 0.119 0.000 2.028 138 E HA -0.028 4.187 4.350 -0.224 0.000 0.190 138 E C 1.829 178.474 176.600 0.076 0.000 0.984 138 E CA 1.481 57.940 56.400 0.098 0.000 0.800 138 E CB -0.597 29.152 29.700 0.081 0.000 0.758 138 E HN 0.621 nan 8.360 nan 0.000 0.448 139 I N 0.440 121.055 120.570 0.076 0.000 2.233 139 I HA -0.073 3.963 4.170 -0.224 0.000 0.243 139 I C 0.394 176.610 176.117 0.164 0.000 1.093 139 I CA 0.329 61.700 61.300 0.118 0.000 1.380 139 I CB 0.152 38.258 38.000 0.176 0.000 1.067 139 I HN -0.052 nan 8.210 nan 0.000 0.413 140 V N 2.267 122.309 119.914 0.213 0.000 2.397 140 V HA 0.022 4.008 4.120 -0.224 0.000 0.262 140 V C 0.719 176.886 176.094 0.121 0.000 1.047 140 V CA 0.071 62.478 62.300 0.178 0.000 1.003 140 V CB 0.175 32.116 31.823 0.197 0.000 1.037 140 V HN 0.214 nan 8.190 nan 0.000 0.480 141 S N 4.875 120.633 115.700 0.097 0.000 2.563 141 S HA 0.076 4.412 4.470 -0.224 0.000 0.269 141 S C 1.205 175.844 174.600 0.065 0.000 1.364 141 S CA 0.483 58.729 58.200 0.076 0.000 1.010 141 S CB 0.052 63.291 63.200 0.066 0.000 0.877 141 S HN 1.059 nan 8.310 nan 0.000 0.549 142 N N -0.443 118.290 118.700 0.055 0.000 2.920 142 N HA -0.150 4.455 4.740 -0.224 0.000 0.199 142 N C 0.478 176.018 175.510 0.049 0.000 0.997 142 N CA 1.601 54.677 53.050 0.044 0.000 1.034 142 N CB -1.692 36.816 38.487 0.034 0.000 0.977 142 N HN 1.286 nan 8.380 nan 0.000 0.579 143 G N 0.381 109.219 108.800 0.063 0.000 2.326 143 G HA2 -0.104 3.721 3.960 -0.224 0.000 0.286 143 G HA3 -0.104 3.721 3.960 -0.224 0.000 0.286 143 G C -0.153 174.787 174.900 0.067 0.000 1.096 143 G CA 1.242 46.382 45.100 0.067 0.000 1.003 143 G HN 1.124 nan 8.290 nan 0.000 0.503 144 T N -1.099 113.504 114.554 0.082 0.000 2.863 144 T HA 0.543 4.758 4.350 -0.224 0.000 0.285 144 T C -0.327 174.439 174.700 0.111 0.000 1.009 144 T CA -0.124 62.022 62.100 0.077 0.000 0.989 144 T CB 1.956 70.856 68.868 0.053 0.000 1.004 144 T HN 0.245 nan 8.240 nan 0.000 0.455 145 D N 2.289 122.749 120.400 0.099 0.000 2.389 145 D HA 0.561 5.067 4.640 -0.224 0.000 0.247 145 D C -0.238 176.123 176.300 0.101 0.000 1.128 145 D CA 0.052 54.129 54.000 0.128 0.000 0.884 145 D CB 1.131 41.990 40.800 0.099 0.000 1.194 145 D HN 0.851 nan 8.370 nan 0.000 0.441 146 A N 2.493 125.377 122.820 0.107 0.000 2.435 146 A HA 0.689 4.874 4.320 -0.224 0.000 0.296 146 A C -0.147 177.380 177.584 -0.095 0.000 1.147 146 A CA -0.352 51.675 52.037 -0.017 0.000 0.775 146 A CB 0.005 18.954 19.000 -0.085 0.000 1.340 146 A HN 0.660 nan 8.150 nan 0.000 0.427 155 P HA 0.838 nan 4.420 nan 0.000 0.298 155 P C 0.616 177.909 177.300 -0.013 0.000 1.341 155 P CA 0.233 63.294 63.100 -0.064 0.000 1.032 155 P CB 1.634 33.276 31.700 -0.097 0.000 1.386 156 E N -0.090 120.125 120.200 0.025 0.000 2.106 156 E HA 0.036 4.251 4.350 -0.224 0.000 0.192 156 E C 1.345 177.960 176.600 0.024 0.000 0.984 156 E CA 1.619 58.040 56.400 0.034 0.000 0.806 156 E CB -0.741 28.988 29.700 0.048 0.000 0.750 156 E HN 0.785 nan 8.360 nan 0.000 0.458 157 R N 1.410 121.929 120.500 0.032 0.000 2.583 157 R HA 0.401 4.606 4.340 -0.224 0.000 0.268 157 R C 0.268 176.573 176.300 0.009 0.000 1.101 157 R CA -0.083 56.041 56.100 0.042 0.000 1.180 157 R CB -0.186 30.172 30.300 0.097 0.000 1.128 157 R HN 0.458 nan 8.270 nan 0.000 0.568 158 E N -0.045 120.160 120.200 0.009 0.000 2.316 158 E HA 0.222 4.437 4.350 -0.224 0.000 0.275 158 E C -0.702 175.892 176.600 -0.010 0.000 1.029 158 E CA -0.331 56.068 56.400 -0.003 0.000 0.871 158 E CB 1.154 30.855 29.700 0.001 0.000 1.022 158 E HN 0.531 nan 8.360 nan 0.000 0.418 159 c N 4.595 123.181 118.600 -0.023 0.000 2.281 159 c HA 0.328 4.763 4.570 -0.224 0.000 0.325 159 c C -1.994 172.122 174.090 0.044 0.000 1.282 159 c CA -1.515 54.788 56.329 -0.044 0.000 1.640 159 c CB 0.233 42.648 42.510 -0.158 0.000 2.288 159 c HN 0.540 nan 8.230 nan 0.000 0.507 160 P HA 0.178 nan 4.420 nan 0.000 0.260 160 P C -0.021 177.379 177.300 0.166 0.000 1.172 160 P CA 0.526 63.712 63.100 0.144 0.000 0.760 160 P CB 0.314 32.122 31.700 0.180 0.000 0.773 161 K N 2.513 122.957 120.400 0.073 0.000 2.511 161 K HA -0.047 4.139 4.320 -0.224 0.000 0.277 161 K C 0.530 177.147 176.600 0.028 0.000 1.025 161 K CA 0.030 56.343 56.287 0.043 0.000 1.112 161 K CB -0.919 31.582 32.500 0.002 0.000 0.859 161 K HN 0.728 nan 8.250 nan 0.000 0.485 162 c N 3.152 121.764 118.600 0.020 0.000 2.597 162 c HA 0.100 4.536 4.570 -0.224 0.000 0.412 162 c C 1.128 175.227 174.090 0.015 0.000 1.348 162 c CA -0.027 56.286 56.329 -0.026 0.000 1.769 162 c CB -1.358 41.142 42.510 -0.015 0.000 2.641 162 c HN 0.994 nan 8.230 nan 0.000 0.612 163 H N 3.035 122.071 119.070 -0.056 0.000 3.016 163 H HA -0.000 4.421 4.556 -0.225 0.000 0.345 163 H C 1.344 176.658 175.328 -0.023 0.000 1.066 163 H CA 0.627 56.656 56.048 -0.032 0.000 1.390 163 H CB 0.753 30.499 29.762 -0.028 0.000 1.344 163 H HN 0.724 nan 8.280 nan 0.000 0.605 164 E N 2.463 122.632 120.200 -0.052 0.000 2.110 164 E HA -0.160 4.055 4.350 -0.224 0.000 0.193 164 E C 2.219 178.932 176.600 0.188 0.000 0.988 164 E CA 1.332 57.763 56.400 0.052 0.000 0.804 164 E CB -0.149 29.515 29.700 -0.059 0.000 0.745 164 E HN 0.669 nan 8.360 nan 0.000 0.458 165 S N 0.550 116.518 115.700 0.447 0.000 2.392 165 S HA -0.172 4.164 4.470 -0.224 0.000 0.232 165 S C 1.217 175.858 174.600 0.068 0.000 1.041 165 S CA 0.552 58.847 58.200 0.158 0.000 1.026 165 S CB -0.422 62.752 63.200 -0.044 0.000 0.845 165 S HN 0.271 nan 8.310 nan 0.000 0.465 166 c N 3.035 121.690 118.600 0.092 0.000 2.601 166 c HA 0.087 4.522 4.570 -0.224 0.000 0.405 166 c C 2.093 176.184 174.090 0.001 0.000 1.441 166 c CA -0.227 56.132 56.329 0.050 0.000 1.555 166 c CB -0.919 41.628 42.510 0.062 0.000 2.450 166 c HN 0.518 nan 8.230 nan 0.000 0.614 167 T N 1.777 116.307 114.554 -0.040 0.000 2.788 167 T HA -0.110 4.106 4.350 -0.224 0.000 0.268 167 T C 1.516 175.957 174.700 -0.432 0.000 1.044 167 T CA 1.693 63.648 62.100 -0.241 0.000 1.139 167 T CB -0.108 68.603 68.868 -0.262 0.000 0.867 167 T HN 0.772 nan 8.240 nan 0.000 0.454 168 H N -1.436 117.665 119.070 0.052 0.000 1.837 168 H HA 0.435 4.856 4.556 -0.225 0.000 0.168 168 H C 0.940 176.300 175.328 0.054 0.000 0.966 168 H CA 0.525 56.595 56.048 0.036 0.000 1.037 168 H CB 0.203 29.977 29.762 0.020 0.000 1.008 168 H HN 0.360 nan 8.280 nan 0.000 0.340 169 G N 0.155 109.089 108.800 0.224 0.000 2.680 169 G HA2 0.527 4.352 3.960 -0.224 0.000 0.290 169 G HA3 0.527 4.352 3.960 -0.224 0.000 0.290 169 G C -0.695 174.161 174.900 -0.073 0.000 1.355 169 G CA -0.104 45.004 45.100 0.014 0.000 0.903 169 G HN 0.546 nan 8.290 nan 0.000 0.474 170 c N -2.661 115.828 118.600 -0.185 0.000 2.994 170 c HA 0.694 5.129 4.570 -0.224 0.000 0.304 170 c C 0.302 174.205 174.090 -0.313 0.000 1.273 170 c CA -1.089 55.126 56.329 -0.190 0.000 1.537 170 c CB 0.757 43.167 42.510 -0.167 0.000 2.001 170 c HN 0.839 nan 8.230 nan 0.000 0.471 171 W N 1.327 122.555 121.300 -0.120 0.000 2.942 171 W HA 0.485 5.010 4.660 -0.225 0.000 0.263 171 W C 1.303 177.805 176.519 -0.028 0.000 1.296 171 W CA 1.292 58.608 57.345 -0.048 0.000 1.504 171 W CB 0.240 29.682 29.460 -0.031 0.000 1.096 171 W HN 1.260 nan 8.180 nan 0.000 0.639 172 G N -0.553 108.248 108.800 0.002 0.000 2.510 172 G HA2 0.189 4.014 3.960 -0.224 0.000 0.277 172 G HA3 0.189 4.014 3.960 -0.224 0.000 0.277 172 G C -1.532 173.243 174.900 -0.210 0.000 1.223 172 G CA -0.943 44.097 45.100 -0.100 0.000 0.887 172 G HN -0.172 nan 8.290 nan 0.000 0.485 173 E N -0.379 119.798 120.200 -0.038 0.000 2.366 173 E HA 0.496 4.711 4.350 -0.224 0.000 0.266 173 E C 0.601 177.229 176.600 0.047 0.000 1.051 173 E CA 1.264 57.667 56.400 0.005 0.000 0.884 173 E CB 0.866 30.599 29.700 0.054 0.000 1.006 173 E HN 1.834 nan 8.360 nan 0.000 0.417 174 G N 3.331 112.208 108.800 0.128 0.000 2.710 174 G HA2 -0.163 3.662 3.960 -0.224 0.000 0.668 174 G HA3 -0.163 3.662 3.960 -0.224 0.000 0.668 174 G C -2.247 172.636 174.900 -0.028 0.000 1.320 174 G CA -0.391 44.813 45.100 0.173 0.000 0.860 174 G HN 0.525 nan 8.290 nan 0.000 0.538 175 P HA 0.119 nan 4.420 nan 0.000 0.234 175 P C 1.265 178.442 177.300 -0.206 0.000 1.175 175 P CA 0.907 63.673 63.100 -0.558 0.000 0.801 175 P CB 0.158 31.395 31.700 -0.772 0.000 0.891 176 K N -0.387 119.941 120.400 -0.120 0.000 2.432 176 K HA 0.053 4.239 4.320 -0.224 0.000 0.196 176 K C 0.955 177.545 176.600 -0.017 0.000 1.038 176 K CA 0.532 56.785 56.287 -0.056 0.000 0.986 176 K CB -0.364 32.112 32.500 -0.040 0.000 0.782 176 K HN 0.059 nan 8.250 nan 0.000 0.485 177 N N 0.816 119.517 118.700 0.001 0.000 2.322 177 N HA 0.028 4.633 4.740 -0.224 0.000 0.194 177 N C -0.235 175.346 175.510 0.118 0.000 1.126 177 N CA -0.031 53.067 53.050 0.080 0.000 0.845 177 N CB -0.086 38.447 38.487 0.077 0.000 0.976 177 N HN 0.069 nan 8.380 nan 0.000 0.475 178 c N 1.468 120.098 118.600 0.050 0.000 2.657 178 c HA 0.028 4.464 4.570 -0.224 0.000 0.420 178 c C 1.178 175.338 174.090 0.118 0.000 1.323 178 c CA -0.492 55.875 56.329 0.062 0.000 1.894 178 c CB -0.347 42.180 42.510 0.028 0.000 2.681 178 c HN 0.385 nan 8.230 nan 0.000 0.613 179 Q N 2.832 122.685 119.800 0.088 0.000 2.288 179 Q HA 0.246 4.452 4.340 -0.224 0.000 0.258 179 Q C -0.463 175.492 176.000 -0.076 0.000 0.957 179 Q CA 0.096 55.901 55.803 0.003 0.000 0.919 179 Q CB 0.508 29.104 28.738 -0.237 0.000 1.185 179 Q HN 0.636 nan 8.270 nan 0.000 0.408 180 K N 2.976 123.303 120.400 -0.122 0.000 2.118 180 K HA 0.328 4.514 4.320 -0.224 0.000 0.267 180 K C -1.013 175.425 176.600 -0.271 0.000 0.991 180 K CA -0.242 56.018 56.287 -0.046 0.000 0.916 180 K CB 0.962 33.468 32.500 0.011 0.000 1.041 180 K HN 0.425 nan 8.250 nan 0.000 0.455 181 F N 1.254 121.243 119.950 0.064 0.000 2.550 181 F HA 0.154 4.546 4.527 -0.225 0.000 0.348 181 F C 0.605 176.438 175.800 0.055 0.000 1.219 181 F CA -0.513 57.524 58.000 0.062 0.000 1.203 181 F CB 1.064 40.110 39.000 0.078 0.000 1.436 181 F HN 0.529 nan 8.300 nan 0.000 0.541 182 S N -0.091 115.690 115.700 0.134 0.000 2.474 182 S HA -0.127 4.208 4.470 -0.224 0.000 0.235 182 S C 1.979 176.656 174.600 0.127 0.000 0.997 182 S CA 0.842 59.117 58.200 0.125 0.000 0.949 182 S CB 0.181 63.440 63.200 0.098 0.000 0.766 182 S HN 0.585 nan 8.310 nan 0.000 0.517 183 K N 0.820 121.312 120.400 0.153 0.000 2.312 183 K HA 0.279 4.464 4.320 -0.224 0.000 0.206 183 K C 1.759 178.444 176.600 0.141 0.000 1.121 183 K CA 0.139 56.504 56.287 0.130 0.000 0.923 183 K CB -0.050 32.518 32.500 0.114 0.000 1.162 183 K HN 0.234 nan 8.250 nan 0.000 0.478 184 L N 0.994 122.349 121.223 0.220 0.000 2.109 184 L HA -0.058 4.147 4.340 -0.224 0.000 0.207 184 L C 2.193 179.105 176.870 0.070 0.000 1.086 184 L CA 1.198 56.129 54.840 0.152 0.000 0.760 184 L CB -0.749 41.429 42.059 0.198 0.000 0.910 184 L HN 0.153 nan 8.230 nan 0.000 0.437 185 T N -0.571 114.041 114.554 0.097 0.000 2.760 185 T HA -0.177 4.038 4.350 -0.224 0.000 0.269 185 T C 1.149 175.860 174.700 0.018 0.000 1.047 185 T CA 0.595 62.717 62.100 0.037 0.000 1.139 185 T CB -0.733 68.186 68.868 0.085 0.000 0.855 185 T HN 0.280 nan 8.240 nan 0.000 0.471 186 c N 2.574 121.193 118.600 0.033 0.000 2.702 186 c HA 0.319 4.755 4.570 -0.224 0.000 0.411 186 c C 1.499 175.584 174.090 -0.009 0.000 1.286 186 c CA -0.962 55.372 56.329 0.007 0.000 1.979 186 c CB -0.157 42.365 42.510 0.020 0.000 2.728 186 c HN 0.545 nan 8.230 nan 0.000 0.652 187 S N 3.630 119.315 115.700 -0.025 0.000 2.562 187 S HA 0.134 4.470 4.470 -0.224 0.000 0.281 187 S C -0.670 173.921 174.600 -0.015 0.000 1.333 187 S CA -0.810 57.375 58.200 -0.024 0.000 1.052 187 S CB 0.689 63.867 63.200 -0.036 0.000 0.884 187 S HN 0.691 nan 8.310 nan 0.000 0.506 188 P HA -0.153 nan 4.420 nan 0.000 0.219 188 P C 1.060 178.354 177.300 -0.010 0.000 1.146 188 P CA 1.146 64.242 63.100 -0.008 0.000 0.808 188 P CB 0.039 31.734 31.700 -0.008 0.000 0.779 189 Q N -1.068 118.723 119.800 -0.015 0.000 2.364 189 Q HA -0.083 4.122 4.340 -0.224 0.000 0.209 189 Q C 0.369 176.358 176.000 -0.018 0.000 0.977 189 Q CA 0.893 56.686 55.803 -0.017 0.000 0.885 189 Q CB -0.249 28.477 28.738 -0.019 0.000 0.941 189 Q HN 0.320 nan 8.270 nan 0.000 0.464 190 c N 0.689 119.278 118.600 -0.018 0.000 2.987 190 c HA 0.624 5.060 4.570 -0.224 0.000 0.262 190 c C 0.532 174.618 174.090 -0.007 0.000 1.531 190 c CA -1.565 54.754 56.329 -0.016 0.000 1.571 190 c CB -1.019 41.480 42.510 -0.019 0.000 2.381 190 c HN 0.259 nan 8.230 nan 0.000 0.519 191 A N 0.751 123.568 122.820 -0.004 0.000 2.546 191 A HA 0.460 4.645 4.320 -0.224 0.000 0.243 191 A C 1.367 178.953 177.584 0.003 0.000 1.063 191 A CA 1.266 53.305 52.037 0.003 0.000 0.757 191 A CB -0.468 18.533 19.000 0.002 0.000 0.991 191 A HN 2.122 nan 8.150 nan 0.000 0.503 192 G N 1.123 109.931 108.800 0.014 0.000 2.204 192 G HA2 0.288 4.114 3.960 -0.224 0.000 0.244 192 G HA3 0.288 4.114 3.960 -0.224 0.000 0.244 192 G C 0.705 175.615 174.900 0.017 0.000 1.062 192 G CA 0.557 45.667 45.100 0.017 0.000 0.798 192 G HN 2.450 nan 8.290 nan 0.000 0.496 193 G N -1.380 107.435 108.800 0.025 0.000 2.634 193 G HA2 0.751 4.576 3.960 -0.224 0.000 0.309 193 G HA3 0.751 4.576 3.960 -0.224 0.000 0.309 193 G C -1.149 173.782 174.900 0.052 0.000 1.299 193 G CA -0.824 44.297 45.100 0.034 0.000 0.798 193 G HN 0.544 nan 8.290 nan 0.000 0.490 194 R N -0.528 120.012 120.500 0.067 0.000 2.514 194 R HA 0.473 4.678 4.340 -0.224 0.000 0.296 194 R C -0.369 175.988 176.300 0.095 0.000 1.012 194 R CA -0.588 55.562 56.100 0.082 0.000 0.897 194 R CB 1.514 31.873 30.300 0.097 0.000 1.184 194 R HN 0.891 nan 8.270 nan 0.000 0.440 195 c N 1.912 120.550 118.600 0.063 0.000 2.463 195 c HA 0.347 4.782 4.570 -0.224 0.000 0.380 195 c C 1.587 175.716 174.090 0.065 0.000 1.264 195 c CA -0.853 55.487 56.329 0.019 0.000 2.161 195 c CB -0.471 41.992 42.510 -0.079 0.000 2.515 195 c HN 1.037 nan 8.230 nan 0.000 0.565 196 Y N 1.272 121.602 120.300 0.049 0.000 2.544 196 Y HA 0.494 4.909 4.550 -0.225 0.000 0.286 196 Y C 0.749 176.675 175.900 0.044 0.000 1.141 196 Y CA 0.095 58.224 58.100 0.048 0.000 1.299 196 Y CB -0.594 37.893 38.460 0.044 0.000 1.030 196 Y HN 0.980 nan 8.280 nan 0.000 0.543 197 G N -0.041 108.542 108.800 -0.361 0.000 2.692 197 G HA2 0.395 4.220 3.960 -0.224 0.000 0.291 197 G HA3 0.395 4.220 3.960 -0.224 0.000 0.291 197 G C -2.497 172.294 174.900 -0.180 0.000 1.423 197 G CA -1.462 43.505 45.100 -0.223 0.000 0.843 197 G HN -0.225 nan 8.290 nan 0.000 0.486 198 P HA 0.019 nan 4.420 nan 0.000 0.221 198 P C 0.342 177.594 177.300 -0.079 0.000 1.150 198 P CA 0.570 63.629 63.100 -0.069 0.000 0.800 198 P CB 0.331 32.005 31.700 -0.044 0.000 0.787 199 K N 0.883 121.225 120.400 -0.097 0.000 2.336 199 K HA 0.062 4.248 4.320 -0.224 0.000 0.262 199 K C -1.377 175.170 176.600 -0.088 0.000 0.992 199 K CA -1.547 54.691 56.287 -0.081 0.000 0.927 199 K CB -0.470 31.987 32.500 -0.072 0.000 0.956 199 K HN 0.063 nan 8.250 nan 0.000 0.495 200 P HA 0.022 nan 4.420 nan 0.000 0.236 200 P C 0.389 177.660 177.300 -0.049 0.000 1.177 200 P CA 0.936 64.007 63.100 -0.049 0.000 0.773 200 P CB 0.400 32.081 31.700 -0.031 0.000 0.878 201 R N -0.112 120.356 120.500 -0.054 0.000 2.362 201 R HA 0.161 4.366 4.340 -0.224 0.000 0.227 201 R C 1.052 177.317 176.300 -0.057 0.000 0.905 201 R CA 0.129 56.211 56.100 -0.031 0.000 1.067 201 R CB 0.174 30.471 30.300 -0.005 0.000 1.078 201 R HN 0.272 nan 8.270 nan 0.000 0.516 202 E N 0.618 120.709 120.200 -0.181 0.000 2.359 202 E HA 0.054 4.270 4.350 -0.224 0.000 0.187 202 E C -0.036 176.247 176.600 -0.527 0.000 1.081 202 E CA -0.317 55.778 56.400 -0.509 0.000 0.929 202 E CB 0.156 29.472 29.700 -0.640 0.000 1.086 202 E HN 0.237 nan 8.360 nan 0.000 0.462 203 c N -0.740 117.784 118.600 -0.127 0.000 2.534 203 c HA 0.496 4.932 4.570 -0.224 0.000 0.398 203 c C 0.798 174.991 174.090 0.172 0.000 1.609 203 c CA -1.120 55.206 56.329 -0.005 0.000 1.916 203 c CB 0.606 43.110 42.510 -0.010 0.000 1.954 203 c HN 0.300 nan 8.230 nan 0.000 0.508 204 c N 0.032 118.717 118.600 0.141 0.000 2.595 204 c HA 0.466 4.901 4.570 -0.224 0.000 0.338 204 c C 0.244 174.386 174.090 0.087 0.000 1.219 204 c CA -0.282 56.151 56.329 0.173 0.000 1.811 204 c CB 0.487 43.114 42.510 0.195 0.000 2.313 204 c HN 0.896 nan 8.230 nan 0.000 0.499 205 H N 1.125 120.212 119.070 0.029 0.000 2.897 205 H HA 0.054 4.475 4.556 -0.225 0.000 0.347 205 H C 0.519 175.805 175.328 -0.071 0.000 1.068 205 H CA 0.537 56.547 56.048 -0.063 0.000 1.426 205 H CB 0.775 30.491 29.762 -0.076 0.000 1.410 205 H HN 0.543 nan 8.280 nan 0.000 0.597 206 L N 4.699 125.621 121.223 -0.501 0.000 2.353 206 L HA -0.192 4.013 4.340 -0.224 0.000 0.220 206 L C 1.920 178.869 176.870 0.132 0.000 1.133 206 L CA 0.886 55.605 54.840 -0.201 0.000 0.798 206 L CB -0.569 41.310 42.059 -0.299 0.000 0.922 206 L HN 0.549 nan 8.230 nan 0.000 0.445 207 F N -1.722 118.434 119.950 0.342 0.000 2.367 207 F HA 0.011 4.403 4.527 -0.225 0.000 0.298 207 F C 1.712 177.617 175.800 0.175 0.000 1.094 207 F CA -1.116 57.037 58.000 0.256 0.000 1.409 207 F CB -1.491 37.663 39.000 0.258 0.000 1.064 207 F HN -0.122 nan 8.300 nan 0.000 0.528 208 c N 1.780 120.583 118.600 0.339 0.000 2.563 208 c HA 0.396 4.831 4.570 -0.224 0.000 0.411 208 c C 0.942 175.138 174.090 0.176 0.000 1.386 208 c CA -0.754 55.712 56.329 0.228 0.000 1.703 208 c CB -1.259 41.365 42.510 0.189 0.000 2.596 208 c HN 0.371 nan 8.230 nan 0.000 0.605 209 A N 3.340 126.248 122.820 0.145 0.000 2.287 209 A HA 0.618 4.803 4.320 -0.224 0.000 0.317 209 A C 0.825 178.463 177.584 0.090 0.000 1.220 209 A CA 0.375 52.477 52.037 0.108 0.000 0.835 209 A CB 0.324 19.378 19.000 0.089 0.000 1.180 209 A HN 2.156 nan 8.150 nan 0.000 0.500 210 G N 1.353 110.203 108.800 0.083 0.000 2.249 210 G HA2 0.312 4.137 3.960 -0.224 0.000 0.273 210 G HA3 0.312 4.137 3.960 -0.224 0.000 0.273 210 G C 1.349 176.293 174.900 0.073 0.000 1.036 210 G CA 0.956 46.098 45.100 0.069 0.000 0.824 210 G HN 3.048 nan 8.290 nan 0.000 0.504 211 G N -2.580 106.276 108.800 0.094 0.000 2.353 211 G HA2 0.547 4.372 3.960 -0.224 0.000 0.615 211 G HA3 0.547 4.372 3.960 -0.224 0.000 0.615 211 G C 0.196 175.163 174.900 0.113 0.000 1.280 211 G CA 0.662 45.825 45.100 0.104 0.000 1.000 211 G HN 2.739 nan 8.290 nan 0.000 0.516 212 c N -4.131 114.534 118.600 0.109 0.000 2.753 212 c HA 0.662 5.097 4.570 -0.224 0.000 0.305 212 c C 0.811 174.918 174.090 0.029 0.000 1.253 212 c CA 0.269 56.647 56.329 0.081 0.000 1.206 212 c CB 0.738 43.314 42.510 0.110 0.000 1.276 212 c HN 1.615 nan 8.230 nan 0.000 0.477 213 T N -0.171 114.328 114.554 -0.091 0.000 2.955 213 T HA 0.578 4.793 4.350 -0.224 0.000 0.251 213 T C 0.684 175.030 174.700 -0.590 0.000 1.002 213 T CA 0.947 62.913 62.100 -0.224 0.000 0.970 213 T CB 0.686 69.485 68.868 -0.115 0.000 1.091 213 T HN 1.572 nan 8.240 nan 0.000 0.495 214 G N 1.300 109.787 108.800 -0.522 0.000 2.721 214 G HA2 0.510 4.336 3.960 -0.224 0.000 0.296 214 G HA3 0.510 4.336 3.960 -0.224 0.000 0.296 214 G C -2.428 172.345 174.900 -0.212 0.000 1.383 214 G CA -0.993 43.762 45.100 -0.576 0.000 0.788 214 G HN -0.279 nan 8.290 nan 0.000 0.500 215 P HA 0.062 nan 4.420 nan 0.000 0.225 215 P C 1.206 178.579 177.300 0.123 0.000 1.156 215 P CA 0.891 64.068 63.100 0.129 0.000 0.787 215 P CB -0.107 31.677 31.700 0.139 0.000 0.802 216 T N -1.625 112.964 114.554 0.058 0.000 2.882 216 T HA 0.084 4.300 4.350 -0.224 0.000 0.287 216 T C 1.423 176.112 174.700 -0.019 0.000 1.014 216 T CA -0.602 61.520 62.100 0.036 0.000 1.049 216 T CB 0.679 69.538 68.868 -0.014 0.000 1.001 216 T HN 0.052 nan 8.240 nan 0.000 0.525 217 Q N 1.049 120.690 119.800 -0.264 0.000 2.500 217 Q HA -0.104 4.102 4.340 -0.224 0.000 0.213 217 Q C 1.553 177.511 176.000 -0.070 0.000 0.974 217 Q CA 1.236 56.867 55.803 -0.287 0.000 0.918 217 Q CB -0.324 28.087 28.738 -0.544 0.000 0.980 217 Q HN 0.863 nan 8.270 nan 0.000 0.505 218 K N 0.629 120.989 120.400 -0.067 0.000 2.366 218 K HA -0.045 4.141 4.320 -0.224 0.000 0.198 218 K C 0.296 176.887 176.600 -0.014 0.000 1.044 218 K CA 0.944 57.205 56.287 -0.043 0.000 0.973 218 K CB 0.400 32.870 32.500 -0.049 0.000 0.767 218 K HN 0.238 nan 8.250 nan 0.000 0.475 219 D N 0.110 120.508 120.400 -0.004 0.000 2.363 219 D HA 0.021 4.526 4.640 -0.224 0.000 0.214 219 D C 0.123 176.448 176.300 0.042 0.000 1.093 219 D CA -0.056 53.943 54.000 -0.001 0.000 0.837 219 D CB -0.038 40.731 40.800 -0.051 0.000 0.948 219 D HN 0.090 nan 8.370 nan 0.000 0.507 220 c N 1.211 119.862 118.600 0.084 0.000 2.634 220 c HA 0.030 4.465 4.570 -0.224 0.000 0.417 220 c C 2.492 176.658 174.090 0.126 0.000 1.334 220 c CA -0.366 56.040 56.329 0.128 0.000 1.829 220 c CB 0.027 42.641 42.510 0.174 0.000 2.665 220 c HN 0.288 nan 8.230 nan 0.000 0.614 221 I N 1.886 122.524 120.570 0.113 0.000 2.193 221 I HA -0.017 4.018 4.170 -0.224 0.000 0.240 221 I C 1.288 177.468 176.117 0.105 0.000 1.084 221 I CA 1.608 62.965 61.300 0.096 0.000 1.365 221 I CB -0.214 37.829 38.000 0.071 0.000 1.064 221 I HN 0.800 nan 8.210 nan 0.000 0.410 222 A N -1.137 121.748 122.820 0.108 0.000 2.593 222 A HA 0.640 4.825 4.320 -0.224 0.000 0.290 222 A C -1.530 176.138 177.584 0.140 0.000 1.126 222 A CA -0.446 51.646 52.037 0.092 0.000 0.695 222 A CB 1.417 20.436 19.000 0.031 0.000 1.290 222 A HN 0.206 nan 8.150 nan 0.000 0.414 223 c N 0.062 118.748 118.600 0.144 0.000 2.634 223 c HA 0.474 4.909 4.570 -0.224 0.000 0.313 223 c C 1.545 175.693 174.090 0.096 0.000 1.198 223 c CA -0.626 55.798 56.329 0.158 0.000 1.605 223 c CB 1.827 44.456 42.510 0.199 0.000 2.196 223 c HN 1.018 nan 8.230 nan 0.000 0.486 224 K N 1.199 121.668 120.400 0.114 0.000 2.211 224 K HA -0.133 4.052 4.320 -0.224 0.000 0.203 224 K C 1.234 177.833 176.600 -0.002 0.000 1.050 224 K CA 1.961 58.290 56.287 0.069 0.000 0.945 224 K CB -0.007 32.565 32.500 0.119 0.000 0.732 224 K HN 0.827 nan 8.250 nan 0.000 0.451 225 N N -0.974 117.714 118.700 -0.020 0.000 2.531 225 N HA 0.024 4.629 4.740 -0.224 0.000 0.223 225 N C -0.098 175.309 175.510 -0.172 0.000 1.023 225 N CA -0.187 52.805 53.050 -0.097 0.000 1.124 225 N CB 0.273 38.655 38.487 -0.174 0.000 1.427 225 N HN -0.101 nan 8.380 nan 0.000 0.558 226 F N -0.547 119.365 119.950 -0.063 0.000 2.623 226 F HA 0.357 4.750 4.527 -0.224 0.000 0.323 226 F C -1.829 173.993 175.800 0.038 0.000 1.158 226 F CA -1.102 56.892 58.000 -0.011 0.000 1.030 226 F CB 2.431 41.394 39.000 -0.061 0.000 1.280 226 F HN 0.109 nan 8.300 nan 0.000 0.474 227 F N 5.034 125.069 119.950 0.142 0.000 2.347 227 F HA 0.417 4.810 4.527 -0.224 0.000 0.366 227 F C -0.639 175.201 175.800 0.066 0.000 1.107 227 F CA -0.424 57.613 58.000 0.063 0.000 1.058 227 F CB 0.552 39.560 39.000 0.012 0.000 1.236 227 F HN 0.312 nan 8.300 nan 0.000 0.456 228 D N 5.633 125.808 120.400 -0.374 0.000 2.485 228 D HA 0.156 4.661 4.640 -0.224 0.000 0.229 228 D C -0.082 175.893 176.300 -0.541 0.000 1.101 228 D CA 0.031 53.845 54.000 -0.311 0.000 0.906 228 D CB 0.450 41.148 40.800 -0.170 0.000 1.019 228 D HN 0.673 nan 8.370 nan 0.000 0.516 229 E N 2.376 122.214 120.200 -0.604 0.000 2.320 229 E HA -0.199 4.017 4.350 -0.224 0.000 0.234 229 E C 0.985 177.254 176.600 -0.552 0.000 1.183 229 E CA 1.340 57.496 56.400 -0.407 0.000 0.713 229 E CB -1.393 28.185 29.700 -0.203 0.000 1.226 229 E HN 0.868 nan 8.360 nan 0.000 0.382 230 G N -2.583 105.493 108.800 -1.207 0.000 2.241 230 G HA2 -0.317 3.509 3.960 -0.224 0.000 0.244 230 G HA3 -0.317 3.509 3.960 -0.224 0.000 0.244 230 G C 0.383 175.041 174.900 -0.404 0.000 0.998 230 G CA 0.075 44.830 45.100 -0.576 0.000 0.621 230 G HN 0.720 nan 8.290 nan 0.000 0.519 231 V N 0.263 119.909 119.914 -0.446 0.000 2.850 231 V HA 0.689 4.675 4.120 -0.224 0.000 0.315 231 V C 0.423 176.404 176.094 -0.188 0.000 1.064 231 V CA -0.637 61.532 62.300 -0.218 0.000 0.979 231 V CB 1.984 33.706 31.823 -0.167 0.000 1.039 231 V HN 0.393 nan 8.190 nan 0.000 0.452 232 c N 4.168 122.734 118.600 -0.057 0.000 2.319 232 c HA 0.713 5.148 4.570 -0.224 0.000 0.323 232 c C -0.184 173.838 174.090 -0.114 0.000 1.277 232 c CA -1.014 55.303 56.329 -0.020 0.000 1.517 232 c CB 0.439 43.014 42.510 0.108 0.000 2.206 232 c HN 0.943 nan 8.230 nan 0.000 0.486 233 K N 2.947 123.235 120.400 -0.186 0.000 2.469 233 K HA 0.413 4.598 4.320 -0.224 0.000 0.254 233 K C 0.283 176.717 176.600 -0.276 0.000 0.939 233 K CA -0.450 55.682 56.287 -0.259 0.000 0.812 233 K CB 1.351 33.774 32.500 -0.129 0.000 1.301 233 K HN 0.410 nan 8.250 nan 0.000 0.433 234 E N 1.445 121.444 120.200 -0.336 0.000 2.114 234 E HA -0.180 4.035 4.350 -0.224 0.000 0.199 234 E C -0.357 176.228 176.600 -0.026 0.000 1.008 234 E CA 1.768 58.070 56.400 -0.163 0.000 0.810 234 E CB 0.232 29.900 29.700 -0.053 0.000 0.739 234 E HN 0.621 nan 8.360 nan 0.000 0.456 235 E N -1.472 118.641 120.200 -0.146 0.000 2.393 235 E HA 0.284 4.499 4.350 -0.224 0.000 0.273 235 E C -1.327 175.015 176.600 -0.430 0.000 0.918 235 E CA -0.617 55.583 56.400 -0.333 0.000 0.773 235 E CB 2.407 31.980 29.700 -0.211 0.000 1.275 235 E HN -0.043 nan 8.360 nan 0.000 0.451 236 c N 2.937 121.127 118.600 -0.683 0.000 2.514 236 c HA 0.317 4.753 4.570 -0.224 0.000 0.392 236 c C -2.130 171.786 174.090 -0.290 0.000 1.294 236 c CA -1.649 54.386 56.329 -0.490 0.000 1.957 236 c CB -0.500 41.646 42.510 -0.606 0.000 2.541 236 c HN 0.430 nan 8.230 nan 0.000 0.569 237 P HA 0.109 nan 4.420 nan 0.000 0.256 237 P C -2.456 174.744 177.300 -0.165 0.000 1.173 237 P CA -0.437 62.569 63.100 -0.156 0.000 0.768 237 P CB -0.291 31.331 31.700 -0.130 0.000 0.758 238 P HA 0.143 nan 4.420 nan 0.000 0.271 238 P C 1.254 178.463 177.300 -0.151 0.000 1.218 238 P CA -0.045 62.972 63.100 -0.139 0.000 0.780 238 P CB 0.362 32.007 31.700 -0.092 0.000 0.901 239 M N 0.840 120.327 119.600 -0.189 0.000 2.200 239 M HA -0.042 4.304 4.480 -0.224 0.000 0.265 239 M C 0.664 176.896 176.300 -0.113 0.000 1.066 239 M CA 1.741 56.917 55.300 -0.206 0.000 1.127 239 M CB -0.678 31.750 32.600 -0.288 0.000 1.379 239 M HN 0.321 nan 8.290 nan 0.000 0.420 240 R N 0.563 121.017 120.500 -0.077 0.000 2.437 240 R HA 0.470 4.675 4.340 -0.224 0.000 0.310 240 R C -0.454 175.835 176.300 -0.018 0.000 0.955 240 R CA -0.454 55.625 56.100 -0.035 0.000 0.851 240 R CB 2.092 32.386 30.300 -0.010 0.000 1.161 240 R HN -0.027 nan 8.270 nan 0.000 0.446 241 K N 2.766 123.159 120.400 -0.012 0.000 2.274 241 K HA 0.192 4.378 4.320 -0.224 0.000 0.262 241 K C -1.326 175.298 176.600 0.040 0.000 0.961 241 K CA -0.705 55.587 56.287 0.009 0.000 0.833 241 K CB 1.216 33.703 32.500 -0.022 0.000 1.102 241 K HN 0.502 nan 8.250 nan 0.000 0.436 242 Y N 4.026 124.292 120.300 -0.056 0.000 2.402 242 Y HA 0.118 4.534 4.550 -0.224 0.000 0.333 242 Y C -0.194 175.658 175.900 -0.081 0.000 1.076 242 Y CA -0.146 57.918 58.100 -0.061 0.000 1.299 242 Y CB 0.630 39.054 38.460 -0.060 0.000 1.197 242 Y HN 0.542 nan 8.280 nan 0.000 0.517 243 N N 8.909 127.212 118.700 -0.662 0.000 2.462 243 N HA 0.201 4.806 4.740 -0.224 0.000 0.242 243 N C -2.012 173.029 175.510 -0.782 0.000 1.010 243 N CA -2.366 50.372 53.050 -0.519 0.000 0.939 243 N CB 1.440 39.726 38.487 -0.334 0.000 1.127 243 N HN 0.458 nan 8.380 nan 0.000 0.509 244 P HA -0.100 nan 4.420 nan 0.000 0.219 244 P C 0.868 177.829 177.300 -0.564 0.000 1.146 244 P CA 1.302 64.112 63.100 -0.483 0.000 0.808 244 P CB 0.368 31.953 31.700 -0.192 0.000 0.779 245 T N -0.307 114.054 114.554 -0.321 0.000 2.809 245 T HA -0.059 4.156 4.350 -0.224 0.000 0.260 245 T C 1.778 176.453 174.700 -0.041 0.000 1.039 245 T CA 2.243 64.257 62.100 -0.143 0.000 1.141 245 T CB -0.925 67.895 68.868 -0.079 0.000 0.869 245 T HN 0.327 nan 8.240 nan 0.000 0.437 246 T N -1.581 112.910 114.554 -0.105 0.000 3.086 246 T HA 0.121 4.336 4.350 -0.224 0.000 0.250 246 T C 0.227 174.993 174.700 0.110 0.000 1.074 246 T CA -0.397 61.715 62.100 0.019 0.000 0.988 246 T CB -0.602 68.243 68.868 -0.039 0.000 0.988 246 T HN 0.351 nan 8.240 nan 0.000 0.530 247 Y N -0.193 119.976 120.300 -0.218 0.000 3.168 247 Y HA -0.101 4.315 4.550 -0.224 0.000 0.207 247 Y C 0.107 175.905 175.900 -0.170 0.000 1.280 247 Y CA 0.088 58.065 58.100 -0.204 0.000 1.235 247 Y CB -2.316 36.138 38.460 -0.011 0.000 1.370 247 Y HN 0.360 nan 8.280 nan 0.000 0.537 248 V N 1.442 121.212 119.914 -0.239 0.000 2.808 248 V HA 0.449 4.434 4.120 -0.224 0.000 0.308 248 V C -0.441 175.577 176.094 -0.126 0.000 1.099 248 V CA -1.238 61.011 62.300 -0.086 0.000 0.920 248 V CB 2.222 34.019 31.823 -0.043 0.000 1.014 248 V HN 0.220 nan 8.190 nan 0.000 0.425 249 L N 5.559 126.805 121.223 0.039 0.000 2.395 249 L HA 0.404 4.610 4.340 -0.224 0.000 0.268 249 L C 0.598 177.479 176.870 0.019 0.000 1.223 249 L CA -0.074 54.820 54.840 0.089 0.000 1.093 249 L CB 0.192 42.344 42.059 0.155 0.000 1.349 249 L HN 0.771 nan 8.230 nan 0.000 0.427 250 E N 1.289 121.473 120.200 -0.027 0.000 2.422 250 E HA 0.005 4.221 4.350 -0.224 0.000 0.260 250 E C 0.093 176.681 176.600 -0.020 0.000 1.108 250 E CA 0.231 56.613 56.400 -0.031 0.000 0.943 250 E CB 0.771 30.439 29.700 -0.053 0.000 0.961 250 E HN 0.316 nan 8.360 nan 0.000 0.443 251 T N 1.913 116.454 114.554 -0.022 0.000 2.897 251 T HA 0.076 4.291 4.350 -0.224 0.000 0.294 251 T C -0.360 174.317 174.700 -0.038 0.000 1.004 251 T CA -0.552 61.532 62.100 -0.026 0.000 1.106 251 T CB 0.269 69.125 68.868 -0.019 0.000 0.949 251 T HN 0.295 nan 8.240 nan 0.000 0.520 252 N N 5.073 123.742 118.700 -0.052 0.000 2.469 252 N HA 0.314 4.920 4.740 -0.224 0.000 0.253 252 N C -1.498 173.974 175.510 -0.063 0.000 0.970 252 N CA -2.313 50.702 53.050 -0.060 0.000 0.940 252 N CB 1.865 40.309 38.487 -0.072 0.000 1.128 252 N HN 0.340 nan 8.380 nan 0.000 0.503 253 P HA -0.096 nan 4.420 nan 0.000 0.216 253 P C 0.377 177.646 177.300 -0.051 0.000 1.150 253 P CA 1.140 64.214 63.100 -0.043 0.000 0.837 253 P CB 0.513 32.193 31.700 -0.034 0.000 0.786 254 E N 0.173 120.339 120.200 -0.058 0.000 2.526 254 E HA 0.078 4.294 4.350 -0.224 0.000 0.198 254 E C 1.206 177.753 176.600 -0.088 0.000 1.091 254 E CA 0.121 56.482 56.400 -0.065 0.000 0.880 254 E CB -0.724 28.938 29.700 -0.062 0.000 0.873 254 E HN 0.235 nan 8.360 nan 0.000 0.527 255 G N 1.204 109.940 108.800 -0.107 0.000 2.398 255 G HA2 0.175 4.000 3.960 -0.224 0.000 0.246 255 G HA3 0.175 4.000 3.960 -0.224 0.000 0.246 255 G C -0.136 174.649 174.900 -0.192 0.000 1.289 255 G CA -0.156 44.847 45.100 -0.162 0.000 0.869 255 G HN -0.028 nan 8.290 nan 0.000 0.543 256 K N 0.473 120.743 120.400 -0.218 0.000 2.400 256 K HA 0.419 4.604 4.320 -0.224 0.000 0.246 256 K C -1.243 175.192 176.600 -0.275 0.000 0.995 256 K CA -0.735 55.438 56.287 -0.188 0.000 0.840 256 K CB 2.008 34.464 32.500 -0.074 0.000 1.293 256 K HN 0.531 nan 8.250 nan 0.000 0.445 257 Y N 0.356 120.655 120.300 -0.001 0.000 2.320 257 Y HA 0.395 4.810 4.550 -0.225 0.000 0.324 257 Y C 0.279 176.213 175.900 0.056 0.000 1.190 257 Y CA -0.695 57.415 58.100 0.016 0.000 1.215 257 Y CB 1.519 39.992 38.460 0.021 0.000 1.221 257 Y HN 0.551 nan 8.280 nan 0.000 0.486 258 A N 4.096 127.054 122.820 0.229 0.000 2.279 258 A HA 0.250 4.436 4.320 -0.224 0.000 0.306 258 A C -1.372 176.430 177.584 0.364 0.000 1.300 258 A CA -0.402 51.793 52.037 0.264 0.000 0.925 258 A CB -0.660 18.459 19.000 0.199 0.000 1.152 258 A HN 0.845 nan 8.150 nan 0.000 0.544 259 Y N 4.228 124.660 120.300 0.220 0.000 2.593 259 Y HA 0.465 4.880 4.550 -0.224 0.000 0.331 259 Y C 1.000 177.013 175.900 0.189 0.000 0.986 259 Y CA 0.192 58.390 58.100 0.164 0.000 1.262 259 Y CB 0.154 38.683 38.460 0.116 0.000 1.098 259 Y HN 1.277 nan 8.280 nan 0.000 0.506 260 G N 3.628 112.551 108.800 0.206 0.000 2.561 260 G HA2 -0.385 3.440 3.960 -0.224 0.000 0.289 260 G HA3 -0.385 3.440 3.960 -0.224 0.000 0.289 260 G C 0.454 175.318 174.900 -0.061 0.000 1.169 260 G CA 0.177 45.288 45.100 0.019 0.000 0.980 260 G HN 1.324 nan 8.290 nan 0.000 0.550 261 A N -0.043 122.650 122.820 -0.212 0.000 2.577 261 A HA 0.669 4.854 4.320 -0.224 0.000 0.280 261 A C 0.759 178.292 177.584 -0.085 0.000 1.331 261 A CA 1.530 53.268 52.037 -0.498 0.000 0.935 261 A CB -0.075 18.648 19.000 -0.463 0.000 1.082 261 A HN 1.022 nan 8.150 nan 0.000 0.525 262 T N -0.689 113.929 114.554 0.107 0.000 2.932 262 T HA 0.450 4.665 4.350 -0.224 0.000 0.289 262 T C -0.839 174.067 174.700 0.344 0.000 1.039 262 T CA -0.231 61.993 62.100 0.206 0.000 1.024 262 T CB 1.320 70.152 68.868 -0.060 0.000 1.090 262 T HN 0.184 nan 8.240 nan 0.000 0.496 263 c N 3.438 122.210 118.600 0.286 0.000 2.356 263 c HA 0.729 5.165 4.570 -0.224 0.000 0.324 263 c C -0.095 174.091 174.090 0.161 0.000 1.167 263 c CA -0.893 55.549 56.329 0.188 0.000 1.420 263 c CB -0.685 41.876 42.510 0.086 0.000 2.036 263 c HN 0.744 nan 8.230 nan 0.000 0.435 264 V N 2.096 122.127 119.914 0.195 0.000 2.769 264 V HA 0.653 4.639 4.120 -0.224 0.000 0.312 264 V C 0.493 176.699 176.094 0.188 0.000 1.061 264 V CA -0.698 61.715 62.300 0.188 0.000 0.931 264 V CB 1.937 33.896 31.823 0.227 0.000 1.010 264 V HN 0.608 nan 8.190 nan 0.000 0.433 265 K N 1.088 121.574 120.400 0.143 0.000 2.007 265 K HA 0.124 4.310 4.320 -0.224 0.000 0.206 265 K C 0.900 177.631 176.600 0.218 0.000 1.047 265 K CA 1.506 57.883 56.287 0.150 0.000 0.937 265 K CB 0.094 32.646 32.500 0.086 0.000 0.718 265 K HN 0.842 nan 8.250 nan 0.000 0.438 266 E N -0.385 119.891 120.200 0.125 0.000 2.202 266 E HA 0.159 4.375 4.350 -0.224 0.000 0.272 266 E C -1.066 175.509 176.600 -0.043 0.000 0.951 266 E CA -0.655 55.766 56.400 0.035 0.000 0.813 266 E CB 1.729 31.435 29.700 0.010 0.000 1.151 266 E HN 0.126 nan 8.360 nan 0.000 0.398 267 c N 4.230 122.715 118.600 -0.193 0.000 2.463 267 c HA 0.395 4.830 4.570 -0.224 0.000 0.380 267 c C -1.879 172.037 174.090 -0.291 0.000 1.264 267 c CA -1.370 54.798 56.329 -0.267 0.000 2.161 267 c CB -0.016 42.255 42.510 -0.397 0.000 2.515 267 c HN 0.496 nan 8.230 nan 0.000 0.565 268 P HA 0.109 nan 4.420 nan 0.000 0.267 268 P C 0.763 177.839 177.300 -0.373 0.000 1.200 268 P CA 0.490 63.357 63.100 -0.387 0.000 0.772 268 P CB 0.432 31.770 31.700 -0.603 0.000 0.855 269 G N 2.367 111.073 108.800 -0.156 0.000 2.547 269 G HA2 -0.319 3.507 3.960 -0.224 0.000 0.221 269 G HA3 -0.319 3.507 3.960 -0.224 0.000 0.221 269 G C 1.166 176.015 174.900 -0.085 0.000 1.140 269 G CA 1.456 46.505 45.100 -0.084 0.000 0.760 269 G HN 0.832 nan 8.290 nan 0.000 0.583 270 H N -1.111 117.892 119.070 -0.111 0.000 2.555 270 H HA 0.477 4.899 4.556 -0.224 0.000 0.269 270 H C 0.839 176.106 175.328 -0.101 0.000 0.988 270 H CA -0.175 55.822 56.048 -0.086 0.000 1.178 270 H CB -0.110 29.617 29.762 -0.058 0.000 1.373 270 H HN 0.293 nan 8.280 nan 0.000 0.588 271 L N 0.905 121.831 121.223 -0.495 0.000 2.322 271 L HA 0.449 4.655 4.340 -0.224 0.000 0.269 271 L C -0.565 176.147 176.870 -0.263 0.000 1.012 271 L CA -1.197 53.427 54.840 -0.359 0.000 0.815 271 L CB 2.320 44.099 42.059 -0.467 0.000 1.295 271 L HN 0.130 nan 8.230 nan 0.000 0.438 272 L N 1.748 122.855 121.223 -0.192 0.000 2.334 272 L HA 0.542 4.747 4.340 -0.224 0.000 0.276 272 L C -0.168 176.595 176.870 -0.180 0.000 1.014 272 L CA -0.746 53.990 54.840 -0.174 0.000 0.815 272 L CB 1.656 43.642 42.059 -0.122 0.000 1.268 272 L HN 0.606 nan 8.230 nan 0.000 0.428 273 R N 0.679 121.039 120.500 -0.233 0.000 2.297 273 R HA 0.483 4.689 4.340 -0.224 0.000 0.308 273 R C -1.408 174.844 176.300 -0.080 0.000 1.029 273 R CA -0.594 55.351 56.100 -0.259 0.000 0.929 273 R CB 1.355 31.236 30.300 -0.699 0.000 1.046 273 R HN 0.493 nan 8.270 nan 0.000 0.461 274 D N 2.580 122.993 120.400 0.022 0.000 2.616 274 D HA 0.090 4.595 4.640 -0.224 0.000 0.238 274 D C -0.635 175.725 176.300 0.101 0.000 1.354 274 D CA -0.461 53.570 54.000 0.052 0.000 0.970 274 D CB 0.570 41.383 40.800 0.021 0.000 1.369 274 D HN 0.824 nan 8.370 nan 0.000 0.585 275 N N 3.514 122.282 118.700 0.113 0.000 2.756 275 N HA -0.215 4.391 4.740 -0.224 0.000 0.248 275 N C 0.847 176.413 175.510 0.094 0.000 1.062 275 N CA 1.064 54.166 53.050 0.087 0.000 0.696 275 N CB -0.972 37.547 38.487 0.053 0.000 0.946 275 N HN 1.039 nan 8.380 nan 0.000 0.548 276 G N -1.797 107.099 108.800 0.159 0.000 2.175 276 G HA2 -0.193 3.633 3.960 -0.224 0.000 0.265 276 G HA3 -0.193 3.633 3.960 -0.224 0.000 0.265 276 G C 0.210 175.223 174.900 0.188 0.000 0.979 276 G CA 1.198 46.316 45.100 0.030 0.000 0.663 276 G HN 1.135 nan 8.290 nan 0.000 0.533 277 A N -1.688 121.281 122.820 0.247 0.000 2.344 277 A HA 0.789 4.974 4.320 -0.224 0.000 0.307 277 A C -0.127 177.566 177.584 0.182 0.000 1.151 277 A CA 0.063 52.227 52.037 0.210 0.000 0.842 277 A CB 1.603 20.684 19.000 0.134 0.000 1.350 277 A HN 1.011 nan 8.150 nan 0.000 0.459 278 c N 1.475 120.152 118.600 0.129 0.000 2.437 278 c HA 0.600 5.035 4.570 -0.224 0.000 0.307 278 c C -0.020 174.082 174.090 0.021 0.000 1.093 278 c CA -0.588 55.754 56.329 0.021 0.000 1.463 278 c CB -0.585 41.932 42.510 0.012 0.000 1.926 278 c HN 0.759 nan 8.230 nan 0.000 0.420 279 V N 2.593 122.499 119.914 -0.014 0.000 2.769 279 V HA 0.638 4.623 4.120 -0.224 0.000 0.312 279 V C 0.940 177.018 176.094 -0.026 0.000 1.058 279 V CA -0.794 61.510 62.300 0.007 0.000 0.952 279 V CB 1.407 33.239 31.823 0.015 0.000 1.019 279 V HN 0.847 nan 8.190 nan 0.000 0.445 280 R N 1.423 121.926 120.500 0.004 0.000 2.153 280 R HA 0.236 4.442 4.340 -0.224 0.000 0.218 280 R C 0.659 176.949 176.300 -0.016 0.000 1.072 280 R CA 0.713 56.811 56.100 -0.003 0.000 0.990 280 R CB -0.058 30.266 30.300 0.040 0.000 0.889 280 R HN 0.606 nan 8.270 nan 0.000 0.452 281 S N -0.118 115.578 115.700 -0.006 0.000 2.513 281 S HA 0.383 4.718 4.470 -0.224 0.000 0.299 281 S C -0.670 173.924 174.600 -0.011 0.000 1.087 281 S CA -0.895 57.299 58.200 -0.009 0.000 1.012 281 S CB 1.928 65.130 63.200 0.004 0.000 1.044 281 S HN 0.268 nan 8.310 nan 0.000 0.485 282 c N 3.712 122.301 118.600 -0.017 0.000 2.689 282 c HA 0.338 4.773 4.570 -0.224 0.000 0.409 282 c C -1.666 172.424 174.090 0.001 0.000 1.293 282 c CA -0.806 55.517 56.329 -0.011 0.000 2.136 282 c CB -0.556 41.944 42.510 -0.016 0.000 2.719 282 c HN 0.634 nan 8.230 nan 0.000 0.644 283 P HA 0.144 nan 4.420 nan 0.000 0.273 283 P C 0.287 177.592 177.300 0.008 0.000 1.250 283 P CA -0.122 62.983 63.100 0.009 0.000 0.793 283 P CB 0.396 32.103 31.700 0.011 0.000 1.011 284 Q N 1.002 120.808 119.800 0.009 0.000 2.096 284 Q HA -0.167 4.038 4.340 -0.224 0.000 0.204 284 Q C 1.053 177.058 176.000 0.009 0.000 0.982 284 Q CA 1.912 57.720 55.803 0.009 0.000 0.850 284 Q CB -0.688 28.055 28.738 0.008 0.000 0.901 284 Q HN 0.533 nan 8.270 nan 0.000 0.422 285 D N -1.457 118.948 120.400 0.009 0.000 2.325 285 D HA 0.093 4.598 4.640 -0.224 0.000 0.234 285 D C -0.087 176.219 176.300 0.010 0.000 1.122 285 D CA 0.344 54.349 54.000 0.009 0.000 0.850 285 D CB -0.182 40.624 40.800 0.009 0.000 0.921 285 D HN 0.108 nan 8.370 nan 0.000 0.513 286 K N 0.245 120.650 120.400 0.008 0.000 2.435 286 K HA 0.649 4.835 4.320 -0.224 0.000 0.251 286 K C -1.185 175.418 176.600 0.004 0.000 0.954 286 K CA -0.993 55.298 56.287 0.007 0.000 0.820 286 K CB 2.181 34.685 32.500 0.007 0.000 1.292 286 K HN 0.137 nan 8.250 nan 0.000 0.436 287 M N 1.798 121.399 119.600 0.003 0.000 2.364 287 M HA 0.368 4.713 4.480 -0.224 0.000 0.334 287 M C -0.823 175.471 176.300 -0.009 0.000 1.107 287 M CA -0.483 54.818 55.300 0.002 0.000 0.988 287 M CB 1.936 34.541 32.600 0.007 0.000 1.673 287 M HN 0.816 nan 8.290 nan 0.000 0.441 288 D N 3.968 124.358 120.400 -0.017 0.000 2.312 288 D HA 0.520 5.026 4.640 -0.224 0.000 0.252 288 D C -1.384 174.900 176.300 -0.027 0.000 1.150 288 D CA 0.368 54.343 54.000 -0.040 0.000 0.870 288 D CB 0.723 41.480 40.800 -0.072 0.000 1.153 288 D HN 0.719 nan 8.370 nan 0.000 0.457 289 K N 1.819 122.201 120.400 -0.030 0.000 2.690 289 K HA 0.594 4.779 4.320 -0.224 0.000 0.264 289 K C 0.465 177.054 176.600 -0.018 0.000 1.040 289 K CA -0.468 55.812 56.287 -0.011 0.000 0.946 289 K CB 0.320 32.821 32.500 0.001 0.000 1.268 289 K HN 1.031 nan 8.250 nan 0.000 0.473 290 G N 0.519 109.311 108.800 -0.012 0.000 2.221 290 G HA2 0.202 4.027 3.960 -0.224 0.000 0.265 290 G HA3 0.202 4.027 3.960 -0.224 0.000 0.265 290 G C 1.465 176.338 174.900 -0.046 0.000 1.041 290 G CA 1.574 46.665 45.100 -0.015 0.000 0.807 290 G HN 2.536 nan 8.290 nan 0.000 0.502 291 G N -1.234 107.522 108.800 -0.073 0.000 2.159 291 G HA2 -0.107 3.718 3.960 -0.224 0.000 0.256 291 G HA3 -0.107 3.718 3.960 -0.224 0.000 0.256 291 G C 0.044 174.869 174.900 -0.125 0.000 0.977 291 G CA 1.270 46.303 45.100 -0.112 0.000 0.652 291 G HN 1.803 nan 8.290 nan 0.000 0.531 292 E N -0.346 119.800 120.200 -0.089 0.000 2.234 292 E HA 0.557 4.772 4.350 -0.224 0.000 0.266 292 E C 0.243 176.814 176.600 -0.048 0.000 0.877 292 E CA -0.862 55.492 56.400 -0.076 0.000 0.758 292 E CB 1.006 30.676 29.700 -0.049 0.000 1.170 292 E HN 0.213 nan 8.360 nan 0.000 0.415 293 c N 3.817 122.392 118.600 -0.040 0.000 2.651 293 c HA 0.342 4.778 4.570 -0.224 0.000 0.410 293 c C 0.082 174.170 174.090 -0.003 0.000 1.372 293 c CA -0.426 55.891 56.329 -0.020 0.000 1.707 293 c CB -0.939 41.564 42.510 -0.012 0.000 2.501 293 c HN 0.447 nan 8.230 nan 0.000 0.598 294 V N 6.498 126.412 119.914 -0.001 0.000 3.001 294 V HA 0.532 4.517 4.120 -0.224 0.000 0.314 294 V C -2.134 173.965 176.094 0.009 0.000 1.099 294 V CA -1.578 60.726 62.300 0.007 0.000 0.989 294 V CB 2.491 34.318 31.823 0.006 0.000 1.040 294 V HN 0.644 nan 8.190 nan 0.000 0.434 295 P HA 0.121 nan 4.420 nan 0.000 0.271 295 P C -0.449 176.858 177.300 0.011 0.000 1.220 295 P CA -0.081 63.027 63.100 0.012 0.000 0.768 295 P CB 0.290 31.998 31.700 0.013 0.000 0.848 296 c N 2.862 121.468 118.600 0.011 0.000 2.394 296 c HA 0.360 4.795 4.570 -0.224 0.000 0.362 296 c C 0.671 174.769 174.090 0.012 0.000 1.268 296 c CA -1.102 55.234 56.329 0.012 0.000 1.828 296 c CB -1.223 41.294 42.510 0.013 0.000 2.442 296 c HN 0.482 nan 8.230 nan 0.000 0.549 297 N N 2.700 121.408 118.700 0.013 0.000 2.431 297 N HA 0.474 5.080 4.740 -0.224 0.000 0.265 297 N C 0.807 176.324 175.510 0.012 0.000 1.184 297 N CA 2.050 55.107 53.050 0.012 0.000 0.943 297 N CB 0.414 38.908 38.487 0.012 0.000 1.080 297 N HN 1.442 nan 8.380 nan 0.000 0.477 298 G N 4.162 112.969 108.800 0.011 0.000 2.508 298 G HA2 -0.209 3.616 3.960 -0.224 0.000 0.220 298 G HA3 -0.209 3.616 3.960 -0.224 0.000 0.220 298 G C -2.633 172.273 174.900 0.010 0.000 1.287 298 G CA -0.779 44.327 45.100 0.010 0.000 0.916 298 G HN 0.573 nan 8.290 nan 0.000 0.574 299 P HA 0.526 nan 4.420 nan 0.000 0.274 299 P C 0.064 177.371 177.300 0.012 0.000 1.237 299 P CA -0.507 62.599 63.100 0.010 0.000 0.793 299 P CB 0.795 32.501 31.700 0.009 0.000 0.977 300 c N 3.025 121.632 118.600 0.012 0.000 2.539 300 c HA 0.356 4.792 4.570 -0.224 0.000 0.392 300 c C -1.536 172.564 174.090 0.017 0.000 1.269 300 c CA -0.624 55.713 56.329 0.014 0.000 2.250 300 c CB -0.413 42.105 42.510 0.013 0.000 2.584 300 c HN 0.584 nan 8.230 nan 0.000 0.589 301 P HA 0.170 nan 4.420 nan 0.000 0.275 301 P C -0.945 176.371 177.300 0.028 0.000 1.228 301 P CA -0.231 62.884 63.100 0.025 0.000 0.786 301 P CB 0.567 32.285 31.700 0.030 0.000 0.927 302 K N 1.029 121.447 120.400 0.031 0.000 2.295 302 K HA 0.334 4.519 4.320 -0.224 0.000 0.270 302 K C -0.474 176.154 176.600 0.047 0.000 1.011 302 K CA 0.082 56.389 56.287 0.033 0.000 0.953 302 K CB 0.271 32.789 32.500 0.030 0.000 0.956 302 K HN 0.438 nan 8.250 nan 0.000 0.477 303 T N 2.459 117.041 114.554 0.045 0.000 2.916 303 T HA 0.478 4.693 4.350 -0.224 0.000 0.305 303 T C -1.371 173.365 174.700 0.060 0.000 1.119 303 T CA -0.680 61.458 62.100 0.064 0.000 1.008 303 T CB 0.760 69.659 68.868 0.052 0.000 1.129 303 T HN 0.872 nan 8.240 nan 0.000 0.480 304 c N 2.092 120.752 118.600 0.100 0.000 2.802 304 c HA 0.918 5.353 4.570 -0.224 0.000 0.307 304 c C -2.746 171.415 174.090 0.119 0.000 1.222 304 c CA -2.462 53.908 56.329 0.068 0.000 1.580 304 c CB 1.483 44.020 42.510 0.045 0.000 2.119 304 c HN 0.583 nan 8.230 nan 0.000 0.479 305 P HA 0.383 nan 4.420 nan 0.000 0.277 305 P C 0.324 177.750 177.300 0.210 0.000 1.240 305 P CA 0.760 63.912 63.100 0.087 0.000 0.798 305 P CB 0.595 32.310 31.700 0.025 0.000 0.979 306 G N 0.538 109.446 108.800 0.180 0.000 2.634 306 G HA2 0.482 4.307 3.960 -0.224 0.000 0.255 306 G HA3 0.482 4.307 3.960 -0.224 0.000 0.255 306 G C -0.371 174.639 174.900 0.183 0.000 1.205 306 G CA -0.402 44.819 45.100 0.202 0.000 0.884 306 G HN 0.521 nan 8.290 nan 0.000 0.549 307 V N -2.347 117.669 119.914 0.171 0.000 2.876 307 V HA 0.646 4.631 4.120 -0.224 0.000 0.312 307 V C 1.099 177.195 176.094 0.003 0.000 1.085 307 V CA 0.102 62.459 62.300 0.096 0.000 0.945 307 V CB 1.157 33.058 31.823 0.131 0.000 1.017 307 V HN 1.034 nan 8.190 nan 0.000 0.428 308 T N 0.690 115.251 114.554 0.012 0.000 2.867 308 T HA 0.072 4.287 4.350 -0.224 0.000 0.268 308 T C 0.549 175.237 174.700 -0.020 0.000 1.057 308 T CA 1.302 63.409 62.100 0.012 0.000 1.136 308 T CB -0.051 68.854 68.868 0.061 0.000 0.874 308 T HN 0.888 nan 8.240 nan 0.000 0.466 309 V N 1.234 121.107 119.914 -0.069 0.000 2.777 309 V HA 0.499 4.484 4.120 -0.224 0.000 0.306 309 V C -0.952 174.932 176.094 -0.351 0.000 1.112 309 V CA -1.272 60.920 62.300 -0.181 0.000 0.917 309 V CB 2.081 33.800 31.823 -0.174 0.000 1.018 309 V HN 0.397 nan 8.190 nan 0.000 0.426 310 L N 6.021 127.022 121.223 -0.369 0.000 2.397 310 L HA 0.709 4.914 4.340 -0.224 0.000 0.271 310 L C -0.200 176.362 176.870 -0.512 0.000 1.148 310 L CA 0.855 55.448 54.840 -0.411 0.000 0.825 310 L CB 0.414 42.313 42.059 -0.267 0.000 1.117 310 L HN 0.971 nan 8.230 nan 0.000 0.456 311 H N 1.729 120.650 119.070 -0.249 0.000 2.932 311 H HA 0.576 4.997 4.556 -0.225 0.000 0.307 311 H C 0.398 175.619 175.328 -0.178 0.000 1.391 311 H CA -0.526 55.356 56.048 -0.275 0.000 1.130 311 H CB 0.092 29.669 29.762 -0.308 0.000 1.836 311 H HN 0.442 nan 8.280 nan 0.000 0.522 312 A N 0.386 123.268 122.820 0.104 0.000 1.927 312 A HA -0.126 4.060 4.320 -0.224 0.000 0.220 312 A C 2.334 179.993 177.584 0.125 0.000 1.185 312 A CA 2.633 54.730 52.037 0.099 0.000 0.639 312 A CB -1.746 17.349 19.000 0.159 0.000 0.820 312 A HN 0.959 nan 8.150 nan 0.000 0.451 313 G N 0.585 109.461 108.800 0.126 0.000 2.440 313 G HA2 -0.289 3.536 3.960 -0.224 0.000 0.218 313 G HA3 -0.289 3.536 3.960 -0.224 0.000 0.218 313 G C 1.149 176.123 174.900 0.122 0.000 1.154 313 G CA 1.444 46.622 45.100 0.129 0.000 0.767 313 G HN 0.800 nan 8.290 nan 0.000 0.552 314 N N -0.380 118.371 118.700 0.084 0.000 2.220 314 N HA 0.158 4.763 4.740 -0.224 0.000 0.195 314 N C 1.702 177.165 175.510 -0.079 0.000 1.123 314 N CA -0.134 52.868 53.050 -0.081 0.000 0.874 314 N CB -0.148 38.233 38.487 -0.177 0.000 0.995 314 N HN 0.353 nan 8.380 nan 0.000 0.498 315 I N 0.625 121.185 120.570 -0.016 0.000 2.226 315 I HA -0.261 3.774 4.170 -0.224 0.000 0.245 315 I C 0.871 176.962 176.117 -0.043 0.000 1.100 315 I CA 1.565 62.882 61.300 0.028 0.000 1.374 315 I CB 0.015 37.983 38.000 -0.054 0.000 1.057 315 I HN -0.056 nan 8.210 nan 0.000 0.413 316 D N 0.430 120.782 120.400 -0.080 0.000 2.149 316 D HA -0.178 4.327 4.640 -0.224 0.000 0.198 316 D C 2.406 178.613 176.300 -0.155 0.000 0.990 316 D CA 1.600 55.538 54.000 -0.102 0.000 0.839 316 D CB -0.219 40.540 40.800 -0.069 0.000 0.948 316 D HN 0.460 nan 8.370 nan 0.000 0.460 317 S N -0.419 115.132 115.700 -0.248 0.000 2.462 317 S HA -0.195 4.141 4.470 -0.224 0.000 0.243 317 S C 1.599 175.908 174.600 -0.484 0.000 1.003 317 S CA 0.686 58.651 58.200 -0.392 0.000 0.970 317 S CB -0.864 62.009 63.200 -0.545 0.000 0.762 317 S HN 0.266 nan 8.310 nan 0.000 0.510 318 F N 1.915 121.784 119.950 -0.134 0.000 2.732 318 F HA 0.368 4.760 4.527 -0.225 0.000 0.303 318 F C 1.708 177.404 175.800 -0.175 0.000 1.110 318 F CA -0.116 57.798 58.000 -0.143 0.000 1.355 318 F CB -0.476 38.397 39.000 -0.212 0.000 1.081 318 F HN 0.227 nan 8.300 nan 0.000 0.565 319 R N 0.940 121.408 120.500 -0.054 0.000 2.502 319 R HA 0.041 4.247 4.340 -0.224 0.000 0.292 319 R C 0.821 177.109 176.300 -0.020 0.000 0.998 319 R CA 0.458 56.522 56.100 -0.060 0.000 1.056 319 R CB -1.188 29.071 30.300 -0.068 0.000 0.939 319 R HN 0.432 nan 8.270 nan 0.000 0.411 320 N N -0.577 118.117 118.700 -0.011 0.000 2.782 320 N HA -0.156 4.450 4.740 -0.224 0.000 0.251 320 N C -0.759 174.777 175.510 0.044 0.000 1.101 320 N CA 0.966 54.023 53.050 0.012 0.000 0.764 320 N CB -2.001 36.488 38.487 0.003 0.000 1.122 320 N HN 0.804 nan 8.380 nan 0.000 0.561 321 c N -0.453 118.196 118.600 0.082 0.000 2.576 321 c HA 0.267 4.702 4.570 -0.224 0.000 0.401 321 c C 2.162 176.327 174.090 0.125 0.000 1.314 321 c CA 0.060 56.465 56.329 0.126 0.000 1.855 321 c CB 0.444 43.091 42.510 0.229 0.000 2.537 321 c HN 0.460 nan 8.230 nan 0.000 0.578 322 T N 2.084 116.698 114.554 0.101 0.000 3.044 322 T HA 0.111 4.326 4.350 -0.224 0.000 0.255 322 T C 0.355 175.117 174.700 0.103 0.000 1.073 322 T CA 0.920 63.074 62.100 0.090 0.000 1.125 322 T CB 0.204 69.111 68.868 0.064 0.000 0.908 322 T HN 0.495 nan 8.240 nan 0.000 0.480 323 V N 1.481 121.462 119.914 0.111 0.000 2.709 323 V HA 0.518 4.503 4.120 -0.224 0.000 0.308 323 V C -0.994 175.182 176.094 0.137 0.000 1.062 323 V CA -0.991 61.376 62.300 0.111 0.000 0.901 323 V CB 2.227 34.103 31.823 0.087 0.000 1.003 323 V HN 0.209 nan 8.190 nan 0.000 0.425 324 I N 3.480 124.125 120.570 0.125 0.000 2.359 324 I HA 0.325 4.361 4.170 -0.224 0.000 0.284 324 I C -0.626 175.542 176.117 0.084 0.000 1.018 324 I CA -0.276 61.108 61.300 0.138 0.000 1.173 324 I CB 1.404 39.453 38.000 0.083 0.000 1.326 324 I HN 0.524 nan 8.210 nan 0.000 0.462 325 D N 6.345 126.799 120.400 0.091 0.000 2.468 325 D HA 0.554 5.059 4.640 -0.224 0.000 0.218 325 D C 0.194 176.515 176.300 0.034 0.000 1.155 325 D CA 0.464 54.494 54.000 0.049 0.000 0.924 325 D CB 0.512 41.336 40.800 0.040 0.000 1.029 325 D HN 0.799 nan 8.370 nan 0.000 0.515 326 G N 2.620 111.414 108.800 -0.009 0.000 2.339 326 G HA2 -0.019 3.806 3.960 -0.224 0.000 0.275 326 G HA3 -0.019 3.806 3.960 -0.224 0.000 0.275 326 G C -1.133 173.668 174.900 -0.165 0.000 1.323 326 G CA -0.982 44.083 45.100 -0.058 0.000 0.927 326 G HN 0.440 nan 8.290 nan 0.000 0.486 327 N N -0.999 117.545 118.700 -0.260 0.000 2.432 327 N HA 0.727 5.332 4.740 -0.224 0.000 0.292 327 N C -1.104 174.210 175.510 -0.327 0.000 1.193 327 N CA -0.751 52.009 53.050 -0.482 0.000 0.878 327 N CB 2.345 40.295 38.487 -0.896 0.000 1.252 327 N HN 0.376 nan 8.380 nan 0.000 0.520 328 I N 1.552 121.918 120.570 -0.339 0.000 2.439 328 I HA 0.317 4.353 4.170 -0.224 0.000 0.285 328 I C -0.727 175.293 176.117 -0.161 0.000 1.021 328 I CA -0.694 60.441 61.300 -0.276 0.000 1.091 328 I CB 1.301 39.062 38.000 -0.398 0.000 1.242 328 I HN 0.255 nan 8.210 nan 0.000 0.439 329 R N 7.281 127.707 120.500 -0.124 0.000 2.343 329 R HA 0.617 4.822 4.340 -0.224 0.000 0.320 329 R C -0.899 175.313 176.300 -0.146 0.000 0.956 329 R CA -0.655 55.406 56.100 -0.065 0.000 0.836 329 R CB 1.788 32.074 30.300 -0.024 0.000 1.151 329 R HN 0.576 nan 8.270 nan 0.000 0.450 330 I N 5.215 125.709 120.570 -0.125 0.000 2.354 330 I HA 0.341 4.377 4.170 -0.224 0.000 0.286 330 I C -0.040 175.985 176.117 -0.154 0.000 1.007 330 I CA -0.387 60.780 61.300 -0.221 0.000 1.167 330 I CB 1.005 38.885 38.000 -0.200 0.000 1.320 330 I HN 0.248 nan 8.210 nan 0.000 0.458 331 L N 4.410 125.490 121.223 -0.238 0.000 2.286 331 L HA 0.489 4.694 4.340 -0.224 0.000 0.265 331 L C 0.761 177.602 176.870 -0.049 0.000 1.012 331 L CA -0.941 53.838 54.840 -0.101 0.000 0.818 331 L CB 1.204 43.196 42.059 -0.113 0.000 1.337 331 L HN 0.413 nan 8.230 nan 0.000 0.438 332 D N -0.062 120.404 120.400 0.109 0.000 2.172 332 D HA -0.199 4.306 4.640 -0.224 0.000 0.196 332 D C 1.803 178.183 176.300 0.133 0.000 0.999 332 D CA 1.533 55.660 54.000 0.213 0.000 0.856 332 D CB 0.110 41.008 40.800 0.165 0.000 0.934 332 D HN 0.453 nan 8.370 nan 0.000 0.453 333 Q N -0.165 119.647 119.800 0.019 0.000 2.135 333 Q HA -0.083 4.122 4.340 -0.224 0.000 0.204 333 Q C 2.227 178.127 176.000 -0.166 0.000 0.981 333 Q CA 1.236 57.032 55.803 -0.011 0.000 0.856 333 Q CB -0.825 27.857 28.738 -0.093 0.000 0.902 333 Q HN 0.274 nan 8.270 nan 0.000 0.425 334 T N 0.102 114.437 114.554 -0.366 0.000 2.708 334 T HA -0.109 4.106 4.350 -0.224 0.000 0.266 334 T C 1.430 175.859 174.700 -0.452 0.000 1.037 334 T CA 1.438 63.215 62.100 -0.539 0.000 1.146 334 T CB -0.385 67.986 68.868 -0.828 0.000 0.865 334 T HN 0.246 nan 8.240 nan 0.000 0.435 335 F N 1.162 121.040 119.950 -0.121 0.000 2.128 335 F HA -0.016 4.376 4.527 -0.225 0.000 0.295 335 F C 2.975 178.792 175.800 0.029 0.000 1.100 335 F CA 0.873 58.826 58.000 -0.079 0.000 1.260 335 F CB -0.625 38.358 39.000 -0.029 0.000 1.009 335 F HN 0.129 nan 8.300 nan 0.000 0.476 336 S N -0.121 115.729 115.700 0.249 0.000 2.399 336 S HA 0.190 4.525 4.470 -0.224 0.000 0.231 336 S C 1.109 175.816 174.600 0.179 0.000 1.022 336 S CA 0.856 59.179 58.200 0.205 0.000 0.983 336 S CB -0.914 62.396 63.200 0.183 0.000 0.803 336 S HN 0.660 nan 8.310 nan 0.000 0.480 337 G N 0.523 109.428 108.800 0.175 0.000 2.721 337 G HA2 0.140 3.966 3.960 -0.224 0.000 0.686 337 G HA3 0.140 3.966 3.960 -0.224 0.000 0.686 337 G C -0.821 174.295 174.900 0.361 0.000 1.236 337 G CA -0.363 44.886 45.100 0.248 0.000 0.786 337 G HN 1.358 nan 8.290 nan 0.000 0.616 338 F N -0.109 119.886 119.950 0.076 0.000 2.601 338 F HA 0.834 5.226 4.527 -0.225 0.000 0.309 338 F C -0.502 175.332 175.800 0.056 0.000 1.089 338 F CA -2.676 55.357 58.000 0.056 0.000 0.940 338 F CB 1.794 40.818 39.000 0.040 0.000 1.273 338 F HN 0.637 nan 8.300 nan 0.000 0.450 339 Q N 3.326 123.025 119.800 -0.169 0.000 2.244 339 Q HA 0.131 4.337 4.340 -0.224 0.000 0.276 339 Q C -0.331 175.313 176.000 -0.594 0.000 1.122 339 Q CA 0.710 56.323 55.803 -0.317 0.000 0.920 339 Q CB -0.082 28.568 28.738 -0.147 0.000 1.186 339 Q HN 0.676 nan 8.270 nan 0.000 0.393 340 D N 1.714 121.701 120.400 -0.688 0.000 2.384 340 D HA 0.413 4.919 4.640 -0.224 0.000 0.244 340 D C -1.128 174.890 176.300 -0.470 0.000 1.251 340 D CA -0.120 53.486 54.000 -0.657 0.000 0.961 340 D CB 1.080 41.585 40.800 -0.492 0.000 1.116 340 D HN 0.359 nan 8.370 nan 0.000 0.484 341 V N 1.048 120.682 119.914 -0.467 0.000 3.147 341 V HA 0.388 4.373 4.120 -0.224 0.000 0.299 341 V C -1.775 174.030 176.094 -0.482 0.000 1.302 341 V CA -0.604 61.435 62.300 -0.436 0.000 1.015 341 V CB 1.702 33.428 31.823 -0.163 0.000 1.086 341 V HN 0.510 nan 8.190 nan 0.000 0.437 342 Y N 3.542 123.834 120.300 -0.015 0.000 2.446 342 Y HA 0.665 5.080 4.550 -0.225 0.000 0.338 342 Y C 1.384 177.243 175.900 -0.068 0.000 1.055 342 Y CA -0.245 57.839 58.100 -0.027 0.000 1.101 342 Y CB 1.872 40.319 38.460 -0.022 0.000 1.221 342 Y HN 0.811 nan 8.280 nan 0.000 0.460 343 A N 1.724 124.580 122.820 0.059 0.000 1.929 343 A HA -0.377 3.808 4.320 -0.224 0.000 0.221 343 A C 1.749 179.179 177.584 -0.257 0.000 1.211 343 A CA 2.579 54.543 52.037 -0.121 0.000 0.657 343 A CB -1.014 17.939 19.000 -0.078 0.000 0.827 343 A HN 0.976 nan 8.150 nan 0.000 0.462 344 N N -1.945 116.709 118.700 -0.077 0.000 2.396 344 N HA -0.216 4.390 4.740 -0.224 0.000 0.191 344 N C 0.317 175.873 175.510 0.077 0.000 1.015 344 N CA 1.564 54.606 53.050 -0.014 0.000 0.893 344 N CB -0.762 37.762 38.487 0.061 0.000 0.956 344 N HN 0.774 nan 8.380 nan 0.000 0.445 345 Y N -2.492 117.851 120.300 0.071 0.000 4.943 345 Y HA -0.290 4.126 4.550 -0.224 0.000 0.258 345 Y C 0.035 175.956 175.900 0.035 0.000 0.930 345 Y CA 0.664 58.791 58.100 0.045 0.000 1.902 345 Y CB -2.554 35.930 38.460 0.040 0.000 1.386 345 Y HN 0.180 nan 8.280 nan 0.000 0.558 346 T N -0.823 113.838 114.554 0.179 0.000 2.884 346 T HA 0.417 4.632 4.350 -0.224 0.000 0.298 346 T C 0.303 175.043 174.700 0.068 0.000 0.998 346 T CA -0.727 61.461 62.100 0.146 0.000 1.124 346 T CB 1.747 70.731 68.868 0.195 0.000 0.931 346 T HN 0.314 nan 8.240 nan 0.000 0.531 347 M N 2.526 122.138 119.600 0.019 0.000 2.248 347 M HA 0.427 4.772 4.480 -0.224 0.000 0.337 347 M C 0.593 176.800 176.300 -0.156 0.000 1.121 347 M CA 0.332 55.583 55.300 -0.081 0.000 1.155 347 M CB -0.016 32.552 32.600 -0.052 0.000 1.514 347 M HN 0.995 nan 8.290 nan 0.000 0.452 348 G N 3.439 112.032 108.800 -0.344 0.000 3.013 348 G HA2 0.734 4.559 3.960 -0.224 0.000 0.278 348 G HA3 0.734 4.559 3.960 -0.224 0.000 0.278 348 G C -3.012 171.726 174.900 -0.270 0.000 1.353 348 G CA -1.097 43.747 45.100 -0.427 0.000 1.043 348 G HN 0.513 nan 8.290 nan 0.000 0.523 349 P HA 0.439 nan 4.420 nan 0.000 0.274 349 P C -0.515 176.562 177.300 -0.372 0.000 1.237 349 P CA -0.114 62.809 63.100 -0.295 0.000 0.793 349 P CB 0.785 32.264 31.700 -0.367 0.000 0.977 350 R N 1.758 122.059 120.500 -0.333 0.000 2.387 350 R HA 0.449 4.655 4.340 -0.224 0.000 0.314 350 R C -0.904 175.248 176.300 -0.246 0.000 0.958 350 R CA -0.623 55.344 56.100 -0.222 0.000 0.846 350 R CB -0.004 30.227 30.300 -0.116 0.000 1.147 350 R HN 0.515 nan 8.270 nan 0.000 0.447 351 Y N 2.831 123.089 120.300 -0.069 0.000 2.341 351 Y HA 0.333 4.748 4.550 -0.225 0.000 0.340 351 Y C 1.388 177.313 175.900 0.041 0.000 0.997 351 Y CA -1.202 56.894 58.100 -0.007 0.000 1.149 351 Y CB 0.902 39.370 38.460 0.014 0.000 1.171 351 Y HN 0.791 nan 8.280 nan 0.000 0.494 352 I N 3.818 124.476 120.570 0.146 0.000 3.156 352 I HA -0.025 4.010 4.170 -0.224 0.000 0.327 352 I C -2.584 173.625 176.117 0.152 0.000 1.194 352 I CA -0.916 60.452 61.300 0.115 0.000 1.473 352 I CB 0.007 38.062 38.000 0.092 0.000 1.294 352 I HN 0.282 nan 8.210 nan 0.000 0.548 353 P HA 0.382 nan 4.420 nan 0.000 0.274 353 P C -0.955 176.398 177.300 0.089 0.000 1.256 353 P CA -0.380 62.795 63.100 0.125 0.000 0.795 353 P CB 1.025 32.805 31.700 0.134 0.000 1.038 354 L N -0.434 120.822 121.223 0.056 0.000 2.350 354 L HA 0.752 4.957 4.340 -0.224 0.000 0.260 354 L C -1.034 175.829 176.870 -0.011 0.000 1.015 354 L CA -0.863 53.984 54.840 0.012 0.000 0.821 354 L CB 1.597 43.633 42.059 -0.038 0.000 1.370 354 L HN 0.222 nan 8.230 nan 0.000 0.416 355 D N 0.603 120.976 120.400 -0.044 0.000 2.268 355 D HA 0.495 5.000 4.640 -0.224 0.000 0.249 355 D C -2.323 173.913 176.300 -0.107 0.000 1.008 355 D CA -2.192 51.722 54.000 -0.144 0.000 0.939 355 D CB 0.978 41.720 40.800 -0.097 0.000 1.170 355 D HN 0.376 nan 8.370 nan 0.000 0.468 356 P HA -0.214 nan 4.420 nan 0.000 0.217 356 P C 1.197 178.478 177.300 -0.033 0.000 1.148 356 P CA 1.600 64.690 63.100 -0.018 0.000 0.834 356 P CB 0.206 32.001 31.700 0.158 0.000 0.783 357 E N -0.330 119.898 120.200 0.047 0.000 2.160 357 E HA -0.235 3.980 4.350 -0.224 0.000 0.195 357 E C 1.813 178.423 176.600 0.017 0.000 0.991 357 E CA 0.816 57.276 56.400 0.100 0.000 0.810 357 E CB -0.084 29.664 29.700 0.081 0.000 0.742 357 E HN 0.038 nan 8.360 nan 0.000 0.466 358 R N 0.214 120.681 120.500 -0.055 0.000 2.241 358 R HA -0.102 4.104 4.340 -0.224 0.000 0.224 358 R C 2.177 178.367 176.300 -0.184 0.000 1.101 358 R CA 0.567 56.607 56.100 -0.100 0.000 0.995 358 R CB -0.517 29.724 30.300 -0.098 0.000 0.870 358 R HN 0.369 nan 8.270 nan 0.000 0.463 359 L N 1.048 122.106 121.223 -0.275 0.000 2.633 359 L HA -0.040 4.165 4.340 -0.224 0.000 0.235 359 L C 1.728 178.472 176.870 -0.209 0.000 1.163 359 L CA 0.450 55.059 54.840 -0.385 0.000 0.859 359 L CB -0.281 41.281 42.059 -0.830 0.000 0.973 359 L HN 0.003 nan 8.230 nan 0.000 0.451 360 E N 0.163 120.348 120.200 -0.026 0.000 2.515 360 E HA -0.092 4.123 4.350 -0.224 0.000 0.201 360 E C 2.055 178.605 176.600 -0.084 0.000 1.071 360 E CA 0.504 56.953 56.400 0.081 0.000 0.880 360 E CB 0.160 29.918 29.700 0.096 0.000 0.828 360 E HN 0.411 nan 8.360 nan 0.000 0.540 361 V N -0.398 119.346 119.914 -0.282 0.000 2.515 361 V HA -0.195 3.791 4.120 -0.224 0.000 0.250 361 V C 1.705 177.589 176.094 -0.351 0.000 1.058 361 V CA 1.297 63.371 62.300 -0.376 0.000 1.064 361 V CB -0.785 30.664 31.823 -0.623 0.000 0.675 361 V HN 0.198 nan 8.190 nan 0.000 0.461 362 F N 0.302 120.154 119.950 -0.164 0.000 2.769 362 F HA 0.096 4.488 4.527 -0.225 0.000 0.304 362 F C 2.387 178.100 175.800 -0.145 0.000 1.158 362 F CA 0.603 58.468 58.000 -0.224 0.000 1.398 362 F CB -0.175 38.411 39.000 -0.690 0.000 1.094 362 F HN 0.081 nan 8.300 nan 0.000 0.553 363 S N 0.075 115.795 115.700 0.033 0.000 2.406 363 S HA -0.144 4.192 4.470 -0.224 0.000 0.228 363 S C 2.186 176.815 174.600 0.049 0.000 1.020 363 S CA 1.801 60.021 58.200 0.034 0.000 0.965 363 S CB -0.355 62.852 63.200 0.010 0.000 0.798 363 S HN 0.457 nan 8.310 nan 0.000 0.488 364 T N -0.166 114.421 114.554 0.054 0.000 3.088 364 T HA 0.248 4.464 4.350 -0.224 0.000 0.259 364 T C 0.611 175.368 174.700 0.094 0.000 1.122 364 T CA -0.041 62.095 62.100 0.059 0.000 1.095 364 T CB -0.337 68.557 68.868 0.044 0.000 0.930 364 T HN 0.107 nan 8.240 nan 0.000 0.508 365 V N 2.240 122.244 119.914 0.150 0.000 2.585 365 V HA 0.167 4.152 4.120 -0.224 0.000 0.296 365 V C 1.163 177.340 176.094 0.138 0.000 1.035 365 V CA 0.294 62.705 62.300 0.185 0.000 1.084 365 V CB 1.000 33.008 31.823 0.308 0.000 0.953 365 V HN 0.375 nan 8.190 nan 0.000 0.483 366 K N 2.312 122.770 120.400 0.097 0.000 2.424 366 K HA 0.292 4.477 4.320 -0.224 0.000 0.198 366 K C 0.162 176.780 176.600 0.030 0.000 1.190 366 K CA 0.221 56.541 56.287 0.055 0.000 0.935 366 K CB 0.745 33.273 32.500 0.047 0.000 1.087 366 K HN 0.732 nan 8.250 nan 0.000 0.524 367 E N 0.594 120.824 120.200 0.049 0.000 2.314 367 E HA 0.387 4.602 4.350 -0.224 0.000 0.272 367 E C -1.332 175.293 176.600 0.041 0.000 0.884 367 E CA -0.454 55.965 56.400 0.032 0.000 0.753 367 E CB 2.821 32.590 29.700 0.115 0.000 1.213 367 E HN -0.022 nan 8.360 nan 0.000 0.432 368 I N 2.045 122.610 120.570 -0.008 0.000 2.382 368 I HA 0.122 4.158 4.170 -0.224 0.000 0.286 368 I C 1.380 177.538 176.117 0.069 0.000 1.002 368 I CA -0.277 61.013 61.300 -0.016 0.000 1.135 368 I CB 1.741 39.659 38.000 -0.137 0.000 1.288 368 I HN 0.701 nan 8.210 nan 0.000 0.448 369 T N 1.321 115.936 114.554 0.103 0.000 2.951 369 T HA 0.057 4.272 4.350 -0.224 0.000 0.268 369 T C 1.128 175.873 174.700 0.075 0.000 1.073 369 T CA 0.754 62.942 62.100 0.147 0.000 1.134 369 T CB 0.018 68.911 68.868 0.042 0.000 0.884 369 T HN 0.649 nan 8.240 nan 0.000 0.479 370 G N 0.934 109.723 108.800 -0.017 0.000 3.329 370 G HA2 0.521 4.346 3.960 -0.224 0.000 0.180 370 G HA3 0.521 4.346 3.960 -0.224 0.000 0.180 370 G C -0.558 174.325 174.900 -0.028 0.000 1.640 370 G CA -0.533 44.523 45.100 -0.074 0.000 1.018 370 G HN 0.643 nan 8.290 nan 0.000 0.581 371 Y N -1.496 118.779 120.300 -0.041 0.000 2.509 371 Y HA 0.747 5.162 4.550 -0.225 0.000 0.341 371 Y C -0.788 175.035 175.900 -0.128 0.000 1.038 371 Y CA -2.099 55.959 58.100 -0.071 0.000 1.089 371 Y CB 1.622 40.051 38.460 -0.052 0.000 1.241 371 Y HN 0.380 nan 8.280 nan 0.000 0.468 372 L N 3.932 125.188 121.223 0.055 0.000 2.272 372 L HA 0.481 4.687 4.340 -0.224 0.000 0.289 372 L C -1.023 175.865 176.870 0.030 0.000 1.032 372 L CA -0.213 54.572 54.840 -0.090 0.000 0.810 372 L CB 0.651 42.529 42.059 -0.303 0.000 1.205 372 L HN 0.913 nan 8.230 nan 0.000 0.422 373 N N 5.696 124.429 118.700 0.054 0.000 2.314 373 N HA 0.526 5.131 4.740 -0.224 0.000 0.294 373 N C -1.607 173.922 175.510 0.031 0.000 1.029 373 N CA -0.541 52.545 53.050 0.059 0.000 0.845 373 N CB 1.440 40.011 38.487 0.140 0.000 1.321 373 N HN 0.669 nan 8.380 nan 0.000 0.481 374 I N 2.914 123.520 120.570 0.060 0.000 2.497 374 I HA 0.176 4.211 4.170 -0.224 0.000 0.284 374 I C 0.215 176.426 176.117 0.156 0.000 1.060 374 I CA -0.270 61.116 61.300 0.144 0.000 1.071 374 I CB 1.826 39.967 38.000 0.234 0.000 1.216 374 I HN 0.629 nan 8.210 nan 0.000 0.442 375 E N 3.962 124.255 120.200 0.156 0.000 2.715 375 E HA 0.244 4.459 4.350 -0.224 0.000 0.224 375 E C 0.691 177.430 176.600 0.231 0.000 0.962 375 E CA -0.377 56.117 56.400 0.157 0.000 1.145 375 E CB 1.062 30.811 29.700 0.081 0.000 1.083 375 E HN 0.614 nan 8.360 nan 0.000 0.506 376 G N 1.960 110.964 108.800 0.341 0.000 2.483 376 G HA2 0.349 4.174 3.960 -0.224 0.000 0.248 376 G HA3 0.349 4.174 3.960 -0.224 0.000 0.248 376 G C -0.007 175.268 174.900 0.626 0.000 1.248 376 G CA 0.171 45.605 45.100 0.557 0.000 0.838 376 G HN 0.112 nan 8.290 nan 0.000 0.566 377 T N -1.399 113.403 114.554 0.414 0.000 2.886 377 T HA 0.630 4.845 4.350 -0.224 0.000 0.292 377 T C -0.967 173.686 174.700 -0.077 0.000 1.012 377 T CA -0.827 61.386 62.100 0.188 0.000 0.982 377 T CB 2.032 70.991 68.868 0.152 0.000 1.018 377 T HN 0.925 nan 8.240 nan 0.000 0.451 378 H N 1.715 120.628 119.070 -0.262 0.000 3.112 378 H HA 0.396 4.817 4.556 -0.225 0.000 0.347 378 H C -2.639 172.627 175.328 -0.102 0.000 1.188 378 H CA -1.275 54.586 56.048 -0.311 0.000 1.240 378 H CB 2.168 31.476 29.762 -0.757 0.000 1.920 378 H HN 0.366 nan 8.280 nan 0.000 0.535 379 P HA -0.108 nan 4.420 nan 0.000 0.219 379 P C 0.542 177.843 177.300 0.002 0.000 1.146 379 P CA 1.324 64.327 63.100 -0.161 0.000 0.808 379 P CB 0.311 31.868 31.700 -0.238 0.000 0.779 380 Q N -2.414 117.521 119.800 0.226 0.000 2.356 380 Q HA 0.124 4.329 4.340 -0.224 0.000 0.205 380 Q C 0.351 176.529 176.000 0.296 0.000 0.901 380 Q CA -0.263 55.696 55.803 0.259 0.000 0.938 380 Q CB -0.044 28.875 28.738 0.302 0.000 1.081 380 Q HN 0.266 nan 8.270 nan 0.000 0.517 381 F N 2.439 122.453 119.950 0.108 0.000 2.567 381 F HA 0.237 4.629 4.527 -0.225 0.000 0.352 381 F C -0.116 175.766 175.800 0.136 0.000 1.229 381 F CA -0.652 57.392 58.000 0.072 0.000 1.228 381 F CB -0.011 38.857 39.000 -0.221 0.000 1.568 381 F HN -0.156 nan 8.300 nan 0.000 0.634 382 R N 2.697 123.173 120.500 -0.041 0.000 2.943 382 R HA 0.411 4.616 4.340 -0.224 0.000 0.246 382 R C -0.415 175.824 176.300 -0.102 0.000 1.201 382 R CA -1.003 55.032 56.100 -0.108 0.000 1.056 382 R CB 0.581 30.843 30.300 -0.062 0.000 1.243 382 R HN 0.731 nan 8.270 nan 0.000 0.498 383 N N -0.352 118.313 118.700 -0.058 0.000 5.058 383 N HA -0.255 4.351 4.740 -0.224 0.000 0.355 383 N C -0.845 174.655 175.510 -0.018 0.000 1.111 383 N CA 0.419 53.439 53.050 -0.050 0.000 2.822 383 N CB -0.221 38.217 38.487 -0.082 0.000 0.477 383 N HN 0.458 nan 8.380 nan 0.000 0.817 384 L N 0.417 121.659 121.223 0.032 0.000 3.347 384 L HA 0.272 4.477 4.340 -0.224 0.000 0.306 384 L C 1.514 178.442 176.870 0.097 0.000 1.301 384 L CA 0.515 55.492 54.840 0.228 0.000 0.985 384 L CB -0.414 41.802 42.059 0.262 0.000 1.400 384 L HN 0.748 nan 8.230 nan 0.000 0.601 385 S N -2.132 113.460 115.700 -0.180 0.000 2.474 385 S HA -0.183 4.152 4.470 -0.224 0.000 0.235 385 S C 1.736 176.196 174.600 -0.234 0.000 0.997 385 S CA 0.744 58.807 58.200 -0.228 0.000 0.949 385 S CB -0.659 62.358 63.200 -0.305 0.000 0.766 385 S HN 0.511 nan 8.310 nan 0.000 0.517 386 Y N 0.737 121.026 120.300 -0.019 0.000 2.256 386 Y HA 0.003 4.418 4.550 -0.224 0.000 0.288 386 Y C 1.337 177.095 175.900 -0.237 0.000 1.155 386 Y CA 0.696 58.711 58.100 -0.142 0.000 1.203 386 Y CB -0.771 37.564 38.460 -0.209 0.000 0.980 386 Y HN 0.305 nan 8.280 nan 0.000 0.530 387 F N 0.811 120.850 119.950 0.149 0.000 2.730 387 F HA 0.223 4.616 4.527 -0.225 0.000 0.295 387 F C 1.717 177.477 175.800 -0.067 0.000 1.143 387 F CA -0.595 57.424 58.000 0.032 0.000 1.367 387 F CB -0.104 38.877 39.000 -0.031 0.000 0.970 387 F HN 0.015 nan 8.300 nan 0.000 0.514 388 R N -0.714 119.812 120.500 0.042 0.000 2.285 388 R HA -0.068 4.138 4.340 -0.224 0.000 0.213 388 R C 0.511 176.784 176.300 -0.044 0.000 1.068 388 R CA 1.287 57.357 56.100 -0.050 0.000 1.004 388 R CB -0.311 29.945 30.300 -0.074 0.000 0.873 388 R HN 0.154 nan 8.270 nan 0.000 0.467 389 N N 0.626 119.331 118.700 0.009 0.000 2.220 389 N HA 0.043 4.648 4.740 -0.224 0.000 0.195 389 N C -0.158 175.361 175.510 0.016 0.000 1.123 389 N CA -0.250 52.803 53.050 0.006 0.000 0.874 389 N CB 0.292 38.794 38.487 0.025 0.000 0.995 389 N HN 0.129 nan 8.380 nan 0.000 0.498 390 L N 1.941 123.190 121.223 0.042 0.000 2.584 390 L HA 0.006 4.211 4.340 -0.224 0.000 0.272 390 L C 1.020 177.847 176.870 -0.070 0.000 1.195 390 L CA 0.780 55.624 54.840 0.007 0.000 0.920 390 L CB 0.452 42.515 42.059 0.006 0.000 1.173 390 L HN 0.098 nan 8.230 nan 0.000 0.489 391 E N 2.003 122.168 120.200 -0.059 0.000 2.175 391 E HA 0.107 4.322 4.350 -0.224 0.000 0.195 391 E C -0.069 176.477 176.600 -0.089 0.000 0.934 391 E CA 0.869 57.229 56.400 -0.067 0.000 0.870 391 E CB 0.381 30.059 29.700 -0.037 0.000 0.838 391 E HN 0.774 nan 8.360 nan 0.000 0.474 392 T N -0.905 113.574 114.554 -0.125 0.000 2.912 392 T HA 0.606 4.821 4.350 -0.224 0.000 0.299 392 T C -0.747 173.790 174.700 -0.272 0.000 1.052 392 T CA -0.789 61.184 62.100 -0.210 0.000 0.996 392 T CB 1.353 70.040 68.868 -0.302 0.000 1.070 392 T HN -0.034 nan 8.240 nan 0.000 0.465 393 I N 3.523 123.952 120.570 -0.235 0.000 2.359 393 I HA 0.308 4.343 4.170 -0.224 0.000 0.284 393 I C -0.230 175.785 176.117 -0.170 0.000 1.018 393 I CA -0.922 60.272 61.300 -0.177 0.000 1.173 393 I CB 0.690 38.634 38.000 -0.094 0.000 1.326 393 I HN 0.724 nan 8.210 nan 0.000 0.462 394 H N 3.961 123.029 119.070 -0.002 0.000 2.722 394 H HA 0.263 4.684 4.556 -0.225 0.000 0.328 394 H C 1.034 176.373 175.328 0.019 0.000 1.067 394 H CA -0.154 55.899 56.048 0.008 0.000 1.447 394 H CB 0.936 30.698 29.762 0.001 0.000 1.469 394 H HN 0.742 nan 8.280 nan 0.000 0.544 395 G N 2.817 111.700 108.800 0.138 0.000 3.741 395 G HA2 0.009 3.835 3.960 -0.224 0.000 0.263 395 G HA3 0.009 3.835 3.960 -0.224 0.000 0.263 395 G C 1.041 176.005 174.900 0.107 0.000 1.175 395 G CA -0.381 44.787 45.100 0.113 0.000 1.642 395 G HN 0.644 nan 8.290 nan 0.000 0.644 396 R N -0.509 120.058 120.500 0.111 0.000 2.115 396 R HA 0.040 4.246 4.340 -0.224 0.000 0.226 396 R C 0.718 177.072 176.300 0.090 0.000 1.100 396 R CA 0.914 57.069 56.100 0.092 0.000 0.980 396 R CB 0.167 30.500 30.300 0.055 0.000 0.875 396 R HN 0.439 nan 8.270 nan 0.000 0.445 397 Q N 0.169 120.023 119.800 0.089 0.000 2.377 397 Q HA 0.479 4.684 4.340 -0.224 0.000 0.271 397 Q C -1.077 175.064 176.000 0.234 0.000 1.077 397 Q CA -0.549 55.320 55.803 0.110 0.000 0.820 397 Q CB 2.717 31.499 28.738 0.073 0.000 1.347 397 Q HN 0.050 nan 8.270 nan 0.000 0.444 398 L N 0.855 122.222 121.223 0.240 0.000 2.301 398 L HA 0.574 4.779 4.340 -0.224 0.000 0.264 398 L C -0.096 176.807 176.870 0.055 0.000 1.016 398 L CA -1.136 53.834 54.840 0.216 0.000 0.821 398 L CB 1.548 43.687 42.059 0.132 0.000 1.346 398 L HN 0.457 nan 8.230 nan 0.000 0.429 399 M N 0.420 119.791 119.600 -0.382 0.000 2.226 399 M HA 0.099 4.444 4.480 -0.224 0.000 0.324 399 M C 1.091 177.265 176.300 -0.210 0.000 1.112 399 M CA 0.093 55.066 55.300 -0.546 0.000 1.176 399 M CB 0.798 32.971 32.600 -0.711 0.000 1.430 399 M HN 0.636 nan 8.290 nan 0.000 0.462 400 E N 0.702 120.798 120.200 -0.172 0.000 2.153 400 E HA -0.090 4.126 4.350 -0.224 0.000 0.194 400 E C 0.215 176.671 176.600 -0.240 0.000 0.988 400 E CA 0.977 57.301 56.400 -0.128 0.000 0.811 400 E CB 0.156 29.812 29.700 -0.072 0.000 0.746 400 E HN 0.658 nan 8.360 nan 0.000 0.466 401 S N -0.604 114.916 115.700 -0.301 0.000 2.472 401 S HA 0.450 4.785 4.470 -0.224 0.000 0.303 401 S C 0.375 174.675 174.600 -0.500 0.000 1.099 401 S CA -0.635 57.318 58.200 -0.412 0.000 1.077 401 S CB 2.011 64.999 63.200 -0.353 0.000 1.031 401 S HN 0.180 nan 8.310 nan 0.000 0.487 402 M N 0.716 119.909 119.600 -0.678 0.000 2.872 402 M HA -0.218 4.127 4.480 -0.224 0.000 0.183 402 M C -0.386 175.728 176.300 -0.311 0.000 0.631 402 M CA 0.757 55.655 55.300 -0.670 0.000 0.672 402 M CB -1.850 30.226 32.600 -0.873 0.000 2.432 402 M HN 0.847 nan 8.290 nan 0.000 0.376 403 F N -1.850 118.009 119.950 -0.153 0.000 3.039 403 F HA -0.224 4.168 4.527 -0.225 0.000 0.287 403 F C 0.735 176.490 175.800 -0.074 0.000 0.956 403 F CA -0.062 57.882 58.000 -0.093 0.000 0.971 403 F CB -1.818 37.161 39.000 -0.034 0.000 0.943 403 F HN 0.491 nan 8.300 nan 0.000 0.766 404 A N 0.411 123.218 122.820 -0.021 0.000 2.328 404 A HA 0.738 4.923 4.320 -0.224 0.000 0.284 404 A C 0.805 178.348 177.584 -0.068 0.000 1.160 404 A CA 0.282 52.281 52.037 -0.062 0.000 0.818 404 A CB 1.156 20.055 19.000 -0.169 0.000 1.087 404 A HN 0.704 nan 8.150 nan 0.000 0.504 405 A N 2.217 125.041 122.820 0.008 0.000 1.997 405 A HA 0.429 4.614 4.320 -0.224 0.000 0.212 405 A C 0.458 178.064 177.584 0.037 0.000 1.178 405 A CA 0.738 52.812 52.037 0.063 0.000 0.698 405 A CB -0.027 19.011 19.000 0.064 0.000 0.842 405 A HN 1.251 nan 8.150 nan 0.000 0.458 406 L N -0.457 120.746 121.223 -0.033 0.000 2.406 406 L HA 0.751 4.956 4.340 -0.224 0.000 0.270 406 L C -0.738 176.066 176.870 -0.110 0.000 0.982 406 L CA -0.394 54.408 54.840 -0.064 0.000 0.843 406 L CB 1.494 43.508 42.059 -0.076 0.000 1.225 406 L HN 0.150 nan 8.230 nan 0.000 0.412 407 A N 6.654 129.417 122.820 -0.095 0.000 2.363 407 A HA 0.744 4.929 4.320 -0.224 0.000 0.296 407 A C -0.939 176.612 177.584 -0.055 0.000 1.237 407 A CA -0.261 51.711 52.037 -0.109 0.000 0.773 407 A CB 0.404 19.307 19.000 -0.162 0.000 1.153 407 A HN 0.639 nan 8.150 nan 0.000 0.473 408 I N 3.355 123.902 120.570 -0.037 0.000 2.359 408 I HA 0.418 4.453 4.170 -0.224 0.000 0.284 408 I C -0.916 175.214 176.117 0.022 0.000 1.018 408 I CA -0.619 60.693 61.300 0.021 0.000 1.173 408 I CB 1.654 39.684 38.000 0.049 0.000 1.326 408 I HN 0.294 nan 8.210 nan 0.000 0.462 409 V N 6.115 126.052 119.914 0.038 0.000 2.577 409 V HA 0.298 4.283 4.120 -0.224 0.000 0.303 409 V C 0.042 176.185 176.094 0.083 0.000 1.042 409 V CA -0.977 61.346 62.300 0.039 0.000 0.872 409 V CB 1.727 33.543 31.823 -0.011 0.000 0.998 409 V HN 0.717 nan 8.190 nan 0.000 0.423 410 K N 1.658 122.124 120.400 0.111 0.000 3.077 410 K HA -0.165 4.021 4.320 -0.224 0.000 0.264 410 K C 0.341 177.015 176.600 0.123 0.000 1.008 410 K CA 1.040 57.408 56.287 0.136 0.000 0.740 410 K CB -1.036 31.562 32.500 0.165 0.000 1.273 410 K HN 1.019 nan 8.250 nan 0.000 0.477 411 S N -1.550 114.217 115.700 0.113 0.000 2.651 411 S HA 0.602 4.937 4.470 -0.224 0.000 0.291 411 S C 0.365 175.029 174.600 0.106 0.000 1.141 411 S CA -0.329 57.974 58.200 0.172 0.000 1.027 411 S CB 1.991 65.306 63.200 0.192 0.000 1.043 411 S HN 0.396 nan 8.310 nan 0.000 0.530 412 S N 1.338 117.123 115.700 0.141 0.000 3.548 412 S HA 0.496 4.831 4.470 -0.224 0.000 0.195 412 S C -0.638 173.992 174.600 0.051 0.000 1.432 412 S CA -0.667 57.590 58.200 0.095 0.000 1.087 412 S CB -1.123 62.156 63.200 0.132 0.000 1.337 412 S HN 0.506 nan 8.310 nan 0.000 0.505 413 L N 1.324 122.554 121.223 0.010 0.000 2.346 413 L HA 0.502 4.707 4.340 -0.224 0.000 0.274 413 L C 0.443 177.382 176.870 0.115 0.000 1.007 413 L CA -0.563 54.283 54.840 0.011 0.000 0.818 413 L CB 1.114 43.137 42.059 -0.060 0.000 1.284 413 L HN 0.368 nan 8.230 nan 0.000 0.424 414 Y N -0.344 119.944 120.300 -0.020 0.000 2.479 414 Y HA 0.191 4.606 4.550 -0.225 0.000 0.283 414 Y C 0.958 176.942 175.900 0.141 0.000 1.109 414 Y CA 0.239 58.366 58.100 0.045 0.000 1.239 414 Y CB 0.808 39.292 38.460 0.039 0.000 1.108 414 Y HN 0.675 nan 8.280 nan 0.000 0.548 415 S N -1.965 113.888 115.700 0.255 0.000 2.588 415 S HA 0.286 4.621 4.470 -0.224 0.000 0.269 415 S C -0.260 174.426 174.600 0.143 0.000 1.157 415 S CA -0.846 57.496 58.200 0.236 0.000 0.824 415 S CB 1.295 64.575 63.200 0.133 0.000 1.126 415 S HN -0.116 nan 8.310 nan 0.000 0.464 416 L N 1.060 122.393 121.223 0.183 0.000 2.022 416 L HA 0.351 4.556 4.340 -0.224 0.000 0.204 416 L C 1.756 178.695 176.870 0.114 0.000 1.076 416 L CA 2.219 57.197 54.840 0.230 0.000 0.749 416 L CB -1.805 40.560 42.059 0.510 0.000 0.903 416 L HN 1.147 nan 8.230 nan 0.000 0.439 417 E N -1.041 119.216 120.200 0.096 0.000 3.801 417 E HA -0.241 3.974 4.350 -0.224 0.000 0.319 417 E C 0.400 176.925 176.600 -0.125 0.000 0.784 417 E CA 0.757 57.146 56.400 -0.019 0.000 1.183 417 E CB -1.264 28.396 29.700 -0.067 0.000 1.601 417 E HN 0.553 nan 8.360 nan 0.000 0.441 418 M N 0.877 120.310 119.600 -0.278 0.000 2.852 418 M HA 0.335 4.681 4.480 -0.224 0.000 0.321 418 M C 0.641 176.322 176.300 -1.032 0.000 1.337 418 M CA -0.543 54.452 55.300 -0.509 0.000 1.406 418 M CB 0.350 32.692 32.600 -0.429 0.000 1.152 418 M HN 0.026 nan 8.290 nan 0.000 0.508 419 R N 1.941 122.075 120.500 -0.609 0.000 3.064 419 R HA 0.228 4.433 4.340 -0.224 0.000 0.280 419 R C 0.001 176.092 176.300 -0.349 0.000 1.182 419 R CA 0.484 56.311 56.100 -0.454 0.000 1.155 419 R CB -0.362 29.863 30.300 -0.124 0.000 1.112 419 R HN 0.769 nan 8.270 nan 0.000 0.564 420 N N -2.359 116.245 118.700 -0.161 0.000 2.889 420 N HA -0.235 4.371 4.740 -0.224 0.000 0.234 420 N C -0.352 175.082 175.510 -0.126 0.000 0.915 420 N CA 1.129 54.114 53.050 -0.108 0.000 1.025 420 N CB -0.948 37.485 38.487 -0.090 0.000 1.073 420 N HN 0.428 nan 8.380 nan 0.000 0.613 421 L N 1.756 122.828 121.223 -0.251 0.000 2.451 421 L HA 0.073 4.278 4.340 -0.224 0.000 0.272 421 L C 1.003 177.889 176.870 0.027 0.000 1.258 421 L CA 0.694 55.420 54.840 -0.189 0.000 1.132 421 L CB 0.237 42.038 42.059 -0.430 0.000 1.361 421 L HN 0.001 nan 8.230 nan 0.000 0.438 422 K N 1.944 122.359 120.400 0.025 0.000 2.262 422 K HA 0.115 4.300 4.320 -0.224 0.000 0.200 422 K C 0.243 176.885 176.600 0.069 0.000 1.049 422 K CA 0.545 56.871 56.287 0.065 0.000 0.979 422 K CB 0.339 32.857 32.500 0.030 0.000 0.773 422 K HN 0.603 nan 8.250 nan 0.000 0.474 423 Q N 0.242 120.065 119.800 0.037 0.000 2.281 423 Q HA 0.359 4.565 4.340 -0.224 0.000 0.263 423 Q C -1.623 174.379 176.000 0.003 0.000 0.989 423 Q CA -0.253 55.567 55.803 0.028 0.000 0.852 423 Q CB 1.903 30.639 28.738 -0.003 0.000 1.337 423 Q HN 0.038 nan 8.270 nan 0.000 0.418 424 I N 3.106 123.707 120.570 0.051 0.000 2.354 424 I HA 0.263 4.298 4.170 -0.224 0.000 0.286 424 I C -0.142 175.995 176.117 0.033 0.000 1.007 424 I CA -0.451 60.869 61.300 0.033 0.000 1.167 424 I CB 1.597 39.649 38.000 0.086 0.000 1.320 424 I HN 0.473 nan 8.210 nan 0.000 0.458 425 S N 3.465 119.172 115.700 0.012 0.000 2.462 425 S HA 0.387 4.722 4.470 -0.224 0.000 0.294 425 S C 0.474 175.109 174.600 0.058 0.000 1.144 425 S CA -0.578 57.647 58.200 0.042 0.000 1.088 425 S CB 1.620 64.858 63.200 0.062 0.000 1.009 425 S HN 0.770 nan 8.310 nan 0.000 0.484 426 S N 1.267 116.995 115.700 0.047 0.000 3.748 426 S HA -0.071 4.265 4.470 -0.224 0.000 0.329 426 S C 0.326 174.954 174.600 0.046 0.000 1.104 426 S CA 0.647 58.870 58.200 0.039 0.000 0.954 426 S CB -1.498 61.728 63.200 0.042 0.000 0.910 426 S HN 1.788 nan 8.310 nan 0.000 0.494 427 G N 0.061 108.894 108.800 0.055 0.000 2.949 427 G HA2 0.741 4.566 3.960 -0.224 0.000 0.285 427 G HA3 0.741 4.566 3.960 -0.224 0.000 0.285 427 G C -0.627 174.324 174.900 0.085 0.000 1.395 427 G CA 0.131 45.274 45.100 0.071 0.000 0.901 427 G HN 1.394 nan 8.290 nan 0.000 0.519 428 S N -1.797 113.974 115.700 0.117 0.000 2.578 428 S HA 0.689 5.024 4.470 -0.224 0.000 0.301 428 S C -0.528 174.106 174.600 0.057 0.000 1.091 428 S CA -0.633 57.646 58.200 0.131 0.000 1.032 428 S CB 1.724 65.115 63.200 0.319 0.000 1.064 428 S HN 1.625 nan 8.310 nan 0.000 0.508 429 V N 2.509 122.409 119.914 -0.024 0.000 2.427 429 V HA 0.758 4.743 4.120 -0.224 0.000 0.286 429 V C -1.136 174.891 176.094 -0.112 0.000 1.034 429 V CA -0.454 61.734 62.300 -0.188 0.000 0.893 429 V CB 1.124 32.630 31.823 -0.528 0.000 0.982 429 V HN 0.848 nan 8.190 nan 0.000 0.452 430 V N 8.240 128.083 119.914 -0.117 0.000 2.349 430 V HA 0.511 4.496 4.120 -0.224 0.000 0.284 430 V C -0.225 175.800 176.094 -0.115 0.000 1.014 430 V CA -0.240 62.029 62.300 -0.053 0.000 0.826 430 V CB 1.296 33.059 31.823 -0.100 0.000 1.009 430 V HN 0.806 nan 8.190 nan 0.000 0.431 431 I N 6.016 126.524 120.570 -0.102 0.000 2.405 431 I HA 0.508 4.543 4.170 -0.224 0.000 0.280 431 I C -0.172 175.949 176.117 0.006 0.000 1.027 431 I CA -0.195 61.071 61.300 -0.057 0.000 1.161 431 I CB 1.439 39.403 38.000 -0.061 0.000 1.300 431 I HN 0.777 nan 8.210 nan 0.000 0.463 432 Q N 4.014 123.823 119.800 0.015 0.000 2.389 432 Q HA 0.454 4.659 4.340 -0.224 0.000 0.277 432 Q C -0.087 175.975 176.000 0.104 0.000 1.082 432 Q CA -0.947 54.885 55.803 0.048 0.000 0.810 432 Q CB 1.639 30.390 28.738 0.023 0.000 1.374 432 Q HN 0.539 nan 8.270 nan 0.000 0.422 433 H N 0.542 119.605 119.070 -0.012 0.000 2.770 433 H HA -0.147 4.275 4.556 -0.224 0.000 0.309 433 H C -1.341 173.984 175.328 -0.006 0.000 1.206 433 H CA 1.034 57.076 56.048 -0.011 0.000 1.147 433 H CB -1.134 28.619 29.762 -0.016 0.000 1.422 433 H HN 0.691 nan 8.280 nan 0.000 0.420 434 N N 1.376 120.017 118.700 -0.097 0.000 2.462 434 N HA 0.135 4.741 4.740 -0.224 0.000 0.242 434 N C 1.184 176.579 175.510 -0.191 0.000 1.010 434 N CA -0.317 52.662 53.050 -0.119 0.000 0.939 434 N CB 0.838 39.304 38.487 -0.035 0.000 1.127 434 N HN 0.436 nan 8.380 nan 0.000 0.509 435 R N 0.953 121.298 120.500 -0.259 0.000 2.103 435 R HA -0.109 4.096 4.340 -0.224 0.000 0.242 435 R C 0.038 176.196 176.300 -0.236 0.000 1.142 435 R CA 1.403 57.352 56.100 -0.252 0.000 0.960 435 R CB 0.156 30.326 30.300 -0.217 0.000 0.858 435 R HN 0.565 nan 8.270 nan 0.000 0.439 436 D N -0.328 119.889 120.400 -0.305 0.000 2.501 436 D HA 0.035 4.540 4.640 -0.224 0.000 0.224 436 D C -0.124 175.908 176.300 -0.447 0.000 1.202 436 D CA -0.168 53.532 54.000 -0.501 0.000 0.829 436 D CB 0.489 40.694 40.800 -0.991 0.000 1.023 436 D HN 0.017 nan 8.370 nan 0.000 0.499 437 L N 1.548 122.636 121.223 -0.225 0.000 2.349 437 L HA 0.290 4.495 4.340 -0.224 0.000 0.275 437 L C -0.266 176.565 176.870 -0.065 0.000 1.115 437 L CA 0.261 55.049 54.840 -0.086 0.000 0.820 437 L CB 1.192 43.247 42.059 -0.007 0.000 1.135 437 L HN 0.087 nan 8.230 nan 0.000 0.445 438 c N 3.347 121.949 118.600 0.003 0.000 3.080 438 c HA 0.574 5.010 4.570 -0.224 0.000 0.307 438 c C 0.404 174.497 174.090 0.006 0.000 1.311 438 c CA -0.177 56.072 56.329 -0.134 0.000 1.533 438 c CB 1.077 43.430 42.510 -0.261 0.000 1.970 438 c HN 0.978 nan 8.230 nan 0.000 0.467 439 Y N 0.063 120.355 120.300 -0.013 0.000 2.738 439 Y HA -0.359 4.056 4.550 -0.225 0.000 0.480 439 Y C 1.978 177.847 175.900 -0.051 0.000 1.246 439 Y CA 2.057 60.131 58.100 -0.043 0.000 2.651 439 Y CB -2.079 36.361 38.460 -0.034 0.000 0.998 439 Y HN 0.664 nan 8.280 nan 0.000 0.546 440 V N -1.935 118.097 119.914 0.197 0.000 2.370 440 V HA -0.318 3.667 4.120 -0.224 0.000 0.252 440 V C 2.184 178.421 176.094 0.239 0.000 1.068 440 V CA 2.641 65.108 62.300 0.279 0.000 1.061 440 V CB -1.245 30.778 31.823 0.333 0.000 0.656 440 V HN 0.609 nan 8.190 nan 0.000 0.455 441 S N 0.824 116.593 115.700 0.115 0.000 2.399 441 S HA -0.168 4.167 4.470 -0.224 0.000 0.231 441 S C 1.758 176.370 174.600 0.019 0.000 1.022 441 S CA 1.797 60.041 58.200 0.073 0.000 0.983 441 S CB -0.639 62.571 63.200 0.016 0.000 0.803 441 S HN 0.769 nan 8.310 nan 0.000 0.480 442 N N 0.572 119.247 118.700 -0.041 0.000 2.299 442 N HA 0.265 4.870 4.740 -0.224 0.000 0.187 442 N C -0.067 175.315 175.510 -0.214 0.000 1.099 442 N CA 0.057 53.046 53.050 -0.102 0.000 0.867 442 N CB 0.135 38.568 38.487 -0.090 0.000 0.974 442 N HN 0.452 nan 8.380 nan 0.000 0.477 443 I N 2.524 122.879 120.570 -0.359 0.000 2.533 443 I HA 0.006 4.042 4.170 -0.224 0.000 0.284 443 I C 0.809 176.544 176.117 -0.637 0.000 1.109 443 I CA -0.257 60.607 61.300 -0.726 0.000 1.412 443 I CB 0.474 37.629 38.000 -1.409 0.000 1.396 443 I HN -0.079 nan 8.210 nan 0.000 0.543 444 R N 5.743 125.959 120.500 -0.473 0.000 2.296 444 R HA 0.185 4.390 4.340 -0.224 0.000 0.327 444 R C -0.276 175.874 176.300 -0.249 0.000 1.137 444 R CA -0.523 55.420 56.100 -0.263 0.000 1.020 444 R CB 0.045 30.258 30.300 -0.145 0.000 1.110 444 R HN 0.628 nan 8.270 nan 0.000 0.499 445 W N 2.941 124.186 121.300 -0.093 0.000 2.392 445 W HA 0.024 4.550 4.660 -0.224 0.000 0.279 445 W C -0.905 175.592 176.519 -0.036 0.000 1.225 445 W CA 0.223 57.531 57.345 -0.062 0.000 1.233 445 W CB -0.858 28.578 29.460 -0.041 0.000 1.122 445 W HN 0.514 nan 8.180 nan 0.000 0.561 446 P HA -0.198 nan 4.420 nan 0.000 0.219 446 P C 1.539 178.868 177.300 0.048 0.000 1.146 446 P CA 2.587 65.734 63.100 0.079 0.000 0.808 446 P CB -0.313 31.407 31.700 0.032 0.000 0.779 447 A N -0.843 121.983 122.820 0.010 0.000 1.978 447 A HA -0.176 4.009 4.320 -0.224 0.000 0.220 447 A C 2.192 179.794 177.584 0.029 0.000 1.170 447 A CA 1.416 53.447 52.037 -0.010 0.000 0.636 447 A CB -1.444 17.516 19.000 -0.068 0.000 0.810 447 A HN 0.168 nan 8.150 nan 0.000 0.448 448 I N -1.010 119.604 120.570 0.074 0.000 2.703 448 I HA -0.069 3.966 4.170 -0.224 0.000 0.259 448 I C 0.775 176.966 176.117 0.125 0.000 1.151 448 I CA 0.182 61.562 61.300 0.134 0.000 1.470 448 I CB -0.063 38.086 38.000 0.249 0.000 1.112 448 I HN 0.422 nan 8.210 nan 0.000 0.437 449 Q N 0.993 120.868 119.800 0.126 0.000 2.394 449 Q HA -0.010 4.195 4.340 -0.224 0.000 0.248 449 Q C 0.822 176.857 176.000 0.058 0.000 0.992 449 Q CA 0.111 55.971 55.803 0.095 0.000 0.888 449 Q CB 1.404 30.199 28.738 0.095 0.000 1.257 449 Q HN 0.116 nan 8.270 nan 0.000 0.462 450 K N 0.892 121.320 120.400 0.047 0.000 2.166 450 K HA -0.016 4.170 4.320 -0.224 0.000 0.201 450 K C -0.223 176.391 176.600 0.024 0.000 1.052 450 K CA 0.903 57.210 56.287 0.034 0.000 0.969 450 K CB 0.675 33.195 32.500 0.033 0.000 0.761 450 K HN 0.480 nan 8.250 nan 0.000 0.459 451 E N 0.255 120.468 120.200 0.022 0.000 2.224 451 E HA 0.163 4.378 4.350 -0.224 0.000 0.265 451 E C -2.302 174.304 176.600 0.009 0.000 0.878 451 E CA -2.404 54.004 56.400 0.013 0.000 0.759 451 E CB 1.735 31.440 29.700 0.009 0.000 1.164 451 E HN -0.090 nan 8.360 nan 0.000 0.414 452 P HA -0.232 nan 4.420 nan 0.000 0.217 452 P C 1.103 178.395 177.300 -0.013 0.000 1.148 452 P CA 1.361 64.458 63.100 -0.005 0.000 0.834 452 P CB 0.384 32.080 31.700 -0.007 0.000 0.783 453 E N 0.149 120.345 120.200 -0.008 0.000 2.204 453 E HA -0.173 4.042 4.350 -0.224 0.000 0.195 453 E C 0.525 177.120 176.600 -0.007 0.000 0.990 453 E CA 0.759 57.154 56.400 -0.008 0.000 0.821 453 E CB -1.164 28.535 29.700 -0.002 0.000 0.750 453 E HN 0.449 nan 8.360 nan 0.000 0.477 454 Q N 1.536 121.336 119.800 -0.000 0.000 2.286 454 Q HA 0.128 4.333 4.340 -0.224 0.000 0.290 454 Q C -0.213 175.764 176.000 -0.039 0.000 1.049 454 Q CA 0.642 56.450 55.803 0.009 0.000 0.923 454 Q CB 0.554 29.306 28.738 0.024 0.000 1.183 454 Q HN 0.087 nan 8.270 nan 0.000 0.383 455 K N 1.042 121.402 120.400 -0.066 0.000 2.123 455 K HA 0.573 4.758 4.320 -0.224 0.000 0.248 455 K C -0.659 175.762 176.600 -0.298 0.000 0.969 455 K CA -0.736 55.381 56.287 -0.284 0.000 0.882 455 K CB 1.714 33.898 32.500 -0.525 0.000 1.080 455 K HN 0.449 nan 8.250 nan 0.000 0.441 456 V N -0.648 118.998 119.914 -0.447 0.000 2.588 456 V HA 0.546 4.531 4.120 -0.224 0.000 0.304 456 V C -1.655 174.174 176.094 -0.442 0.000 1.042 456 V CA -0.666 61.444 62.300 -0.315 0.000 0.877 456 V CB 1.218 32.931 31.823 -0.183 0.000 0.996 456 V HN 0.722 nan 8.190 nan 0.000 0.425 457 W N 4.579 125.793 121.300 -0.143 0.000 2.411 457 W HA 0.701 5.227 4.660 -0.224 0.000 0.317 457 W C -1.214 175.232 176.519 -0.121 0.000 1.030 457 W CA -0.674 56.607 57.345 -0.107 0.000 1.239 457 W CB 2.293 31.689 29.460 -0.106 0.000 1.304 457 W HN 0.549 nan 8.180 nan 0.000 0.437 458 V N 4.986 124.964 119.914 0.105 0.000 2.398 458 V HA 0.269 4.254 4.120 -0.224 0.000 0.282 458 V C -0.759 175.388 176.094 0.088 0.000 1.014 458 V CA -0.572 61.774 62.300 0.076 0.000 0.838 458 V CB 1.116 32.994 31.823 0.091 0.000 1.018 458 V HN 0.453 nan 8.190 nan 0.000 0.432 459 N N 2.373 121.125 118.700 0.086 0.000 2.277 459 N HA 0.544 5.150 4.740 -0.224 0.000 0.286 459 N C 0.074 175.626 175.510 0.070 0.000 1.140 459 N CA -0.816 52.281 53.050 0.077 0.000 0.799 459 N CB 2.001 40.543 38.487 0.092 0.000 1.596 459 N HN 0.602 nan 8.380 nan 0.000 0.473 460 E N -1.241 118.998 120.200 0.065 0.000 3.628 460 E HA -0.236 3.980 4.350 -0.224 0.000 0.309 460 E C -0.574 176.043 176.600 0.028 0.000 0.839 460 E CA 0.500 56.949 56.400 0.082 0.000 1.123 460 E CB -0.674 29.130 29.700 0.173 0.000 1.568 460 E HN 0.570 nan 8.360 nan 0.000 0.440 461 N N 0.345 119.049 118.700 0.007 0.000 2.374 461 N HA 0.199 4.804 4.740 -0.224 0.000 0.284 461 N C 0.170 175.643 175.510 -0.062 0.000 1.280 461 N CA -0.461 52.568 53.050 -0.036 0.000 0.963 461 N CB 0.209 38.692 38.487 -0.007 0.000 1.141 461 N HN 0.022 nan 8.380 nan 0.000 0.565 462 L N 2.032 123.199 121.223 -0.093 0.000 2.513 462 L HA 0.017 4.222 4.340 -0.224 0.000 0.272 462 L C 0.648 177.471 176.870 -0.079 0.000 1.187 462 L CA 0.200 54.977 54.840 -0.104 0.000 0.895 462 L CB 0.029 42.001 42.059 -0.146 0.000 1.147 462 L HN 0.268 nan 8.230 nan 0.000 0.483 463 R N 3.879 124.340 120.500 -0.065 0.000 2.505 463 R HA -0.120 4.086 4.340 -0.224 0.000 0.274 463 R C 1.135 177.393 176.300 -0.071 0.000 0.955 463 R CA 0.702 56.769 56.100 -0.055 0.000 1.109 463 R CB 0.070 30.341 30.300 -0.048 0.000 0.890 463 R HN 0.914 nan 8.270 nan 0.000 0.415 464 A N 3.771 126.553 122.820 -0.064 0.000 2.019 464 A HA -0.165 4.020 4.320 -0.224 0.000 0.219 464 A C 1.392 178.928 177.584 -0.079 0.000 1.164 464 A CA 1.418 53.406 52.037 -0.081 0.000 0.644 464 A CB -0.037 18.924 19.000 -0.065 0.000 0.805 464 A HN 0.651 nan 8.150 nan 0.000 0.449 465 D N 0.108 120.473 120.400 -0.059 0.000 2.117 465 D HA -0.082 4.424 4.640 -0.224 0.000 0.198 465 D C 1.869 178.135 176.300 -0.056 0.000 0.982 465 D CA 0.885 54.855 54.000 -0.051 0.000 0.828 465 D CB -0.302 40.475 40.800 -0.038 0.000 0.967 465 D HN 0.447 nan 8.370 nan 0.000 0.464 466 L N 0.131 121.317 121.223 -0.061 0.000 2.201 466 L HA -0.130 4.075 4.340 -0.224 0.000 0.212 466 L C 2.396 179.219 176.870 -0.077 0.000 1.105 466 L CA 0.494 55.297 54.840 -0.061 0.000 0.775 466 L CB -0.132 41.889 42.059 -0.062 0.000 0.913 466 L HN 0.126 nan 8.230 nan 0.000 0.440 467 c N -0.558 117.978 118.600 -0.106 0.000 2.450 467 c HA -0.088 4.347 4.570 -0.224 0.000 0.279 467 c C 2.638 176.656 174.090 -0.121 0.000 1.335 467 c CA 0.307 56.549 56.329 -0.146 0.000 1.749 467 c CB -0.419 41.956 42.510 -0.226 0.000 1.963 467 c HN 0.486 nan 8.230 nan 0.000 0.501 468 E N 0.907 121.050 120.200 -0.094 0.000 2.006 468 E HA -0.230 3.985 4.350 -0.224 0.000 0.192 468 E C 2.105 178.676 176.600 -0.048 0.000 0.993 468 E CA 1.250 57.609 56.400 -0.068 0.000 0.808 468 E CB -0.127 29.540 29.700 -0.055 0.000 0.764 468 E HN 0.393 nan 8.360 nan 0.000 0.449 469 K N 1.201 121.576 120.400 -0.043 0.000 2.015 469 K HA -0.225 3.961 4.320 -0.224 0.000 0.216 469 K C 1.754 178.338 176.600 -0.027 0.000 1.052 469 K CA 1.992 58.261 56.287 -0.030 0.000 0.937 469 K CB -0.396 32.087 32.500 -0.029 0.000 0.719 469 K HN -0.040 nan 8.250 nan 0.000 0.446 470 N N -1.517 117.163 118.700 -0.034 0.000 2.322 470 N HA -0.148 4.457 4.740 -0.224 0.000 0.189 470 N C 0.961 176.461 175.510 -0.016 0.000 1.012 470 N CA 1.664 54.700 53.050 -0.023 0.000 0.880 470 N CB 0.015 38.480 38.487 -0.037 0.000 0.967 470 N HN 0.504 nan 8.380 nan 0.000 0.439 471 G N -1.822 106.960 108.800 -0.029 0.000 2.345 471 G HA2 -0.295 3.530 3.960 -0.224 0.000 0.218 471 G HA3 -0.295 3.530 3.960 -0.224 0.000 0.218 471 G C 0.364 175.254 174.900 -0.017 0.000 1.058 471 G CA 0.359 45.450 45.100 -0.015 0.000 0.632 471 G HN 0.490 nan 8.290 nan 0.000 0.508 472 T N 1.441 115.974 114.554 -0.035 0.000 3.058 472 T HA 0.513 4.728 4.350 -0.224 0.000 0.249 472 T C 0.630 175.206 174.700 -0.208 0.000 0.949 472 T CA 0.534 62.608 62.100 -0.042 0.000 1.204 472 T CB -0.492 68.325 68.868 -0.085 0.000 0.963 472 T HN 1.473 nan 8.240 nan 0.000 0.634 473 I N -1.735 118.827 120.570 -0.013 0.000 3.466 473 I HA 0.726 4.761 4.170 -0.224 0.000 0.311 473 I C -0.349 175.880 176.117 0.186 0.000 1.155 473 I CA -1.662 59.636 61.300 -0.004 0.000 0.959 473 I CB 1.186 39.161 38.000 -0.042 0.000 1.332 473 I HN 0.243 nan 8.210 nan 0.000 0.483 474 c N 1.665 120.337 118.600 0.120 0.000 2.652 474 c HA 0.358 4.794 4.570 -0.224 0.000 0.412 474 c C 1.216 175.334 174.090 0.047 0.000 1.294 474 c CA 0.048 56.432 56.329 0.092 0.000 2.127 474 c CB 0.403 42.928 42.510 0.025 0.000 2.691 474 c HN 0.782 nan 8.230 nan 0.000 0.615 475 S N 1.754 117.473 115.700 0.033 0.000 2.560 475 S HA -0.052 4.283 4.470 -0.224 0.000 0.276 475 S C 1.343 175.945 174.600 0.004 0.000 1.350 475 S CA 0.339 58.550 58.200 0.017 0.000 1.024 475 S CB 0.402 63.607 63.200 0.009 0.000 0.864 475 S HN 0.821 nan 8.310 nan 0.000 0.536 476 D N 1.388 121.790 120.400 0.002 0.000 2.264 476 D HA -0.072 4.433 4.640 -0.224 0.000 0.208 476 D C 0.401 176.696 176.300 -0.009 0.000 0.966 476 D CA 0.670 54.667 54.000 -0.005 0.000 0.864 476 D CB -0.249 40.549 40.800 -0.004 0.000 0.933 476 D HN 0.435 nan 8.370 nan 0.000 0.499 477 Q N -0.051 119.745 119.800 -0.007 0.000 2.368 477 Q HA 0.314 4.520 4.340 -0.224 0.000 0.237 477 Q C 0.267 176.257 176.000 -0.017 0.000 0.987 477 Q CA -0.058 55.739 55.803 -0.010 0.000 0.896 477 Q CB 1.203 29.938 28.738 -0.005 0.000 1.241 477 Q HN 0.338 nan 8.270 nan 0.000 0.485 478 c N 1.500 120.085 118.600 -0.024 0.000 0.173 478 c HA -0.101 4.334 4.570 -0.224 0.000 0.018 478 c C 0.278 174.341 174.090 -0.045 0.000 0.171 478 c CA -1.400 54.907 56.329 -0.037 0.000 0.500 478 c CB -1.684 40.800 42.510 -0.042 0.000 3.212 478 c HN 1.112 nan 8.230 nan 0.000 1.118 479 N N 1.279 119.948 118.700 -0.052 0.000 2.263 479 N HA 0.450 5.055 4.740 -0.224 0.000 0.239 479 N C 0.987 176.455 175.510 -0.070 0.000 1.317 479 N CA 0.516 53.533 53.050 -0.055 0.000 0.909 479 N CB 0.437 38.891 38.487 -0.055 0.000 1.171 479 N HN 1.042 nan 8.380 nan 0.000 0.492 480 E N -1.201 118.958 120.200 -0.068 0.000 2.515 480 E HA -0.128 4.087 4.350 -0.224 0.000 0.201 480 E C 0.833 177.368 176.600 -0.109 0.000 1.071 480 E CA 1.066 57.419 56.400 -0.078 0.000 0.880 480 E CB -0.895 28.767 29.700 -0.063 0.000 0.828 480 E HN 0.613 nan 8.360 nan 0.000 0.540 481 D N -0.339 119.986 120.400 -0.125 0.000 2.178 481 D HA 0.226 4.732 4.640 -0.224 0.000 0.202 481 D C 1.279 177.423 176.300 -0.260 0.000 0.974 481 D CA 1.544 55.438 54.000 -0.177 0.000 0.841 481 D CB 0.221 40.925 40.800 -0.160 0.000 0.953 481 D HN 0.740 nan 8.370 nan 0.000 0.478 482 G N -1.174 107.490 108.800 -0.228 0.000 2.422 482 G HA2 0.014 3.839 3.960 -0.224 0.000 0.607 482 G HA3 0.014 3.839 3.960 -0.224 0.000 0.607 482 G C -0.564 174.156 174.900 -0.299 0.000 1.270 482 G CA -0.667 44.270 45.100 -0.270 0.000 0.992 482 G HN 0.632 nan 8.290 nan 0.000 0.499 483 c N -3.915 114.496 118.600 -0.316 0.000 3.241 483 c HA 0.777 5.212 4.570 -0.224 0.000 0.312 483 c C 0.644 174.480 174.090 -0.423 0.000 1.350 483 c CA -0.763 55.370 56.329 -0.327 0.000 1.415 483 c CB 0.761 43.193 42.510 -0.130 0.000 1.770 483 c HN 1.088 nan 8.230 nan 0.000 0.466 484 W N 1.469 122.635 121.300 -0.223 0.000 3.047 484 W HA 0.476 5.002 4.660 -0.225 0.000 0.250 484 W C 1.282 177.522 176.519 -0.465 0.000 1.314 484 W CA 1.076 58.275 57.345 -0.244 0.000 1.540 484 W CB 0.192 29.552 29.460 -0.166 0.000 1.127 484 W HN 1.305 nan 8.180 nan 0.000 0.679 485 G N -1.965 106.484 108.800 -0.584 0.000 2.322 485 G HA2 0.342 4.167 3.960 -0.224 0.000 0.295 485 G HA3 0.342 4.167 3.960 -0.224 0.000 0.295 485 G C 0.163 174.667 174.900 -0.659 0.000 1.369 485 G CA -0.357 44.099 45.100 -1.073 0.000 0.821 485 G HN -0.047 nan 8.290 nan 0.000 0.536 486 A N -0.655 121.957 122.820 -0.346 0.000 1.972 486 A HA 0.406 4.591 4.320 -0.224 0.000 0.219 486 A C 1.946 179.531 177.584 0.002 0.000 1.169 486 A CA 2.418 54.475 52.037 0.033 0.000 0.635 486 A CB -1.013 18.064 19.000 0.130 0.000 0.810 486 A HN 2.072 nan 8.150 nan 0.000 0.446 487 G N -2.072 106.702 108.800 -0.042 0.000 2.744 487 G HA2 0.226 4.051 3.960 -0.224 0.000 0.257 487 G HA3 0.226 4.051 3.960 -0.224 0.000 0.257 487 G C 0.848 175.741 174.900 -0.012 0.000 1.244 487 G CA 0.522 45.609 45.100 -0.022 0.000 0.916 487 G HN 0.261 nan 8.290 nan 0.000 0.564 488 T N -1.507 113.042 114.554 -0.008 0.000 3.057 488 T HA -0.009 4.206 4.350 -0.224 0.000 0.254 488 T C 1.448 176.144 174.700 -0.007 0.000 1.094 488 T CA 1.344 63.442 62.100 -0.003 0.000 1.088 488 T CB -0.213 68.656 68.868 0.002 0.000 0.934 488 T HN 0.567 nan 8.240 nan 0.000 0.497 489 D N -0.136 120.257 120.400 -0.013 0.000 2.360 489 D HA 0.080 4.585 4.640 -0.224 0.000 0.210 489 D C 1.565 177.871 176.300 0.010 0.000 1.047 489 D CA 0.123 54.114 54.000 -0.014 0.000 0.854 489 D CB -0.267 40.516 40.800 -0.030 0.000 0.936 489 D HN 0.283 nan 8.370 nan 0.000 0.514 490 Q N -0.113 119.698 119.800 0.019 0.000 2.280 490 Q HA 0.187 4.392 4.340 -0.224 0.000 0.202 490 Q C -0.711 175.363 176.000 0.124 0.000 0.903 490 Q CA -0.070 55.778 55.803 0.075 0.000 0.948 490 Q CB -0.179 28.564 28.738 0.008 0.000 1.058 490 Q HN 0.175 nan 8.270 nan 0.000 0.493 491 c N 0.246 118.877 118.600 0.052 0.000 2.330 491 c HA 0.280 4.715 4.570 -0.224 0.000 0.344 491 c C 1.891 175.999 174.090 0.031 0.000 1.273 491 c CA -0.787 55.548 56.329 0.012 0.000 1.879 491 c CB -0.093 42.407 42.510 -0.017 0.000 2.376 491 c HN 0.601 nan 8.230 nan 0.000 0.534 492 L N 2.794 123.997 121.223 -0.034 0.000 1.978 492 L HA -0.142 4.063 4.340 -0.224 0.000 0.218 492 L C 0.922 177.788 176.870 -0.006 0.000 1.075 492 L CA 1.722 56.554 54.840 -0.013 0.000 0.767 492 L CB -0.291 41.664 42.059 -0.173 0.000 0.890 492 L HN 0.727 nan 8.230 nan 0.000 0.434 493 N N -2.508 116.167 118.700 -0.042 0.000 2.329 493 N HA 0.279 4.884 4.740 -0.224 0.000 0.282 493 N C -1.473 174.016 175.510 -0.036 0.000 1.198 493 N CA -0.455 52.576 53.050 -0.033 0.000 0.790 493 N CB 2.364 40.827 38.487 -0.041 0.000 1.579 493 N HN -0.053 nan 8.380 nan 0.000 0.475 494 c N 1.173 119.755 118.600 -0.029 0.000 2.355 494 c HA 0.446 4.881 4.570 -0.224 0.000 0.332 494 c C 0.624 174.695 174.090 -0.032 0.000 1.255 494 c CA -0.864 55.448 56.329 -0.028 0.000 1.792 494 c CB 0.567 43.065 42.510 -0.020 0.000 2.300 494 c HN 0.630 nan 8.230 nan 0.000 0.515 495 K N 1.885 122.266 120.400 -0.032 0.000 2.090 495 K HA 0.454 4.639 4.320 -0.224 0.000 0.249 495 K C 0.063 176.647 176.600 -0.027 0.000 0.995 495 K CA -0.296 55.972 56.287 -0.031 0.000 0.914 495 K CB 0.336 32.818 32.500 -0.030 0.000 1.057 495 K HN 0.638 nan 8.250 nan 0.000 0.462 496 N N -1.624 117.059 118.700 -0.028 0.000 2.979 496 N HA -0.222 4.384 4.740 -0.224 0.000 0.234 496 N C -0.731 174.763 175.510 -0.028 0.000 0.938 496 N CA 1.572 54.607 53.050 -0.026 0.000 0.961 496 N CB -2.054 36.421 38.487 -0.020 0.000 1.089 496 N HN 1.141 nan 8.380 nan 0.000 0.576 497 F N -2.019 117.911 119.950 -0.033 0.000 2.181 497 F HA 0.136 4.528 4.527 -0.224 0.000 0.357 497 F C -0.257 175.536 175.800 -0.011 0.000 1.299 497 F CA -0.243 57.733 58.000 -0.039 0.000 1.064 497 F CB -1.258 37.711 39.000 -0.051 0.000 3.953 497 F HN 0.324 nan 8.300 nan 0.000 0.306 498 N N 2.260 120.952 118.700 -0.014 0.000 2.372 498 N HA 0.781 5.386 4.740 -0.224 0.000 0.291 498 N C -1.027 174.534 175.510 0.085 0.000 1.024 498 N CA -0.770 52.290 53.050 0.017 0.000 0.873 498 N CB 1.630 40.106 38.487 -0.018 0.000 1.206 498 N HN 1.704 nan 8.380 nan 0.000 0.486 499 F N 5.272 125.183 119.950 -0.064 0.000 2.579 499 F HA 0.360 4.752 4.527 -0.224 0.000 0.325 499 F C 0.379 176.160 175.800 -0.032 0.000 1.162 499 F CA -0.476 57.489 58.000 -0.059 0.000 0.946 499 F CB 0.739 39.703 39.000 -0.059 0.000 1.211 499 F HN 0.704 nan 8.300 nan 0.000 0.447 500 N N 3.117 121.466 118.700 -0.586 0.000 1.461 500 N HA -0.230 4.376 4.740 -0.224 0.000 0.168 500 N C 0.916 176.269 175.510 -0.263 0.000 0.819 500 N CA 2.117 54.833 53.050 -0.558 0.000 1.102 500 N CB -1.425 36.528 38.487 -0.889 0.000 1.378 500 N HN 0.983 nan 8.380 nan 0.000 0.466 501 G N -0.656 108.008 108.800 -0.228 0.000 3.126 501 G HA2 0.314 4.139 3.960 -0.224 0.000 0.224 501 G HA3 0.314 4.139 3.960 -0.224 0.000 0.224 501 G C 0.447 175.293 174.900 -0.089 0.000 1.142 501 G CA 1.334 46.360 45.100 -0.123 0.000 0.759 501 G HN 0.951 nan 8.290 nan 0.000 0.550 502 T N -2.761 111.730 114.554 -0.104 0.000 2.905 502 T HA 0.609 4.824 4.350 -0.224 0.000 0.283 502 T C -0.812 173.886 174.700 -0.003 0.000 1.031 502 T CA -0.864 61.209 62.100 -0.045 0.000 1.002 502 T CB 2.129 70.975 68.868 -0.037 0.000 1.200 502 T HN -0.048 nan 8.240 nan 0.000 0.560 503 c N 0.439 119.052 118.600 0.021 0.000 2.547 503 c HA 0.940 5.376 4.570 -0.224 0.000 0.313 503 c C 0.534 174.651 174.090 0.044 0.000 1.191 503 c CA -0.583 55.767 56.329 0.035 0.000 1.474 503 c CB 0.051 42.567 42.510 0.010 0.000 2.081 503 c HN 1.125 nan 8.230 nan 0.000 0.476 504 I N 0.600 121.202 120.570 0.054 0.000 3.108 504 I HA 0.980 5.015 4.170 -0.224 0.000 0.312 504 I C 0.072 176.196 176.117 0.010 0.000 1.095 504 I CA -1.003 60.322 61.300 0.040 0.000 1.000 504 I CB 1.090 39.126 38.000 0.060 0.000 1.229 504 I HN 1.040 nan 8.210 nan 0.000 0.454 505 A N 2.640 125.460 122.820 -0.001 0.000 2.273 505 A HA 0.800 4.985 4.320 -0.224 0.000 0.320 505 A C 0.289 177.859 177.584 -0.023 0.000 1.358 505 A CA 0.731 52.760 52.037 -0.013 0.000 0.910 505 A CB -0.683 18.311 19.000 -0.011 0.000 1.159 505 A HN 3.010 nan 8.150 nan 0.000 0.526 506 D N 0.001 120.381 120.400 -0.034 0.000 10.405 506 D HA -0.124 4.382 4.640 -0.224 0.000 0.309 506 D C 0.392 176.649 176.300 -0.071 0.000 2.986 506 D CA 0.165 54.137 54.000 -0.047 0.000 2.704 506 D CB -1.722 39.056 40.800 -0.038 0.000 1.147 506 D HN 1.426 nan 8.370 nan 0.000 0.881 507 c N 2.340 120.882 118.600 -0.097 0.000 2.526 507 c HA 0.504 4.940 4.570 -0.224 0.000 0.286 507 c C 2.916 176.934 174.090 -0.120 0.000 1.416 507 c CA 0.623 56.861 56.329 -0.152 0.000 1.671 507 c CB -1.376 41.029 42.510 -0.174 0.000 1.650 507 c HN 1.160 nan 8.230 nan 0.000 0.590 508 G N -0.089 108.664 108.800 -0.078 0.000 2.402 508 G HA2 0.124 3.949 3.960 -0.224 0.000 0.216 508 G HA3 0.124 3.949 3.960 -0.224 0.000 0.216 508 G C 0.912 175.776 174.900 -0.060 0.000 1.162 508 G CA 1.098 46.163 45.100 -0.058 0.000 0.777 508 G HN 0.629 nan 8.290 nan 0.000 0.539 509 Y N -1.028 119.236 120.300 -0.059 0.000 2.142 509 Y HA 0.409 4.824 4.550 -0.224 0.000 0.367 509 Y C 2.007 177.861 175.900 -0.075 0.000 1.278 509 Y CA -0.213 57.859 58.100 -0.046 0.000 1.724 509 Y CB -0.867 37.579 38.460 -0.024 0.000 1.476 509 Y HN 1.673 nan 8.280 nan 0.000 0.685 510 I N -0.622 119.926 120.570 -0.035 0.000 6.822 510 I HA -0.125 3.910 4.170 -0.224 0.000 0.126 510 I C 1.255 177.337 176.117 -0.059 0.000 1.756 510 I CA 1.791 63.075 61.300 -0.026 0.000 2.250 510 I CB -2.926 35.054 38.000 -0.033 0.000 3.407 510 I HN 2.278 nan 8.210 nan 0.000 0.229 511 S N -0.314 115.366 115.700 -0.032 0.000 4.155 511 S HA -0.356 3.979 4.470 -0.224 0.000 0.538 511 S C 0.706 175.273 174.600 -0.054 0.000 1.284 511 S CA 2.709 60.892 58.200 -0.029 0.000 3.676 511 S CB -0.927 62.271 63.200 -0.004 0.000 1.966 511 S HN 2.679 nan 8.310 nan 0.000 0.455 512 N N 2.533 121.200 118.700 -0.055 0.000 2.456 512 N HA 0.674 5.279 4.740 -0.224 0.000 0.288 512 N C -0.851 174.568 175.510 -0.153 0.000 1.059 512 N CA 0.071 53.083 53.050 -0.064 0.000 0.946 512 N CB 1.526 40.004 38.487 -0.017 0.000 1.150 512 N HN 1.020 nan 8.380 nan 0.000 0.479 513 A N 0.775 123.509 122.820 -0.143 0.000 2.549 513 A HA 0.398 4.583 4.320 -0.224 0.000 0.306 513 A C -1.738 175.801 177.584 -0.074 0.000 1.053 513 A CA -1.164 50.736 52.037 -0.230 0.000 0.892 513 A CB -0.159 18.498 19.000 -0.571 0.000 1.329 513 A HN 0.742 nan 8.150 nan 0.000 0.388 514 Y N -0.244 120.021 120.300 -0.058 0.000 2.304 514 Y HA 0.716 5.131 4.550 -0.224 0.000 0.328 514 Y C 0.359 176.300 175.900 0.068 0.000 1.123 514 Y CA -0.376 57.728 58.100 0.006 0.000 1.218 514 Y CB 0.868 39.341 38.460 0.021 0.000 1.207 514 Y HN 0.856 nan 8.280 nan 0.000 0.495 515 K N 5.430 125.871 120.400 0.069 0.000 2.180 515 K HA 0.272 4.458 4.320 -0.224 0.000 0.250 515 K C -0.585 176.054 176.600 0.065 0.000 1.135 515 K CA -0.280 55.989 56.287 -0.031 0.000 1.037 515 K CB -1.594 30.884 32.500 -0.036 0.000 1.624 515 K HN 0.816 nan 8.250 nan 0.000 0.382 516 F N -0.368 119.553 119.950 -0.049 0.000 2.757 516 F HA 0.478 4.870 4.527 -0.225 0.000 0.292 516 F C -0.256 175.553 175.800 0.014 0.000 1.204 516 F CA -1.085 56.948 58.000 0.055 0.000 1.417 516 F CB -0.013 39.089 39.000 0.169 0.000 1.001 516 F HN 0.381 nan 8.300 nan 0.000 0.508 517 D N 0.198 120.462 120.400 -0.227 0.000 2.912 517 D HA 0.015 4.520 4.640 -0.224 0.000 0.263 517 D C 0.359 176.564 176.300 -0.158 0.000 1.152 517 D CA -0.211 53.655 54.000 -0.223 0.000 0.728 517 D CB 0.543 41.104 40.800 -0.399 0.000 1.337 517 D HN 0.093 nan 8.370 nan 0.000 0.435 518 N N 0.589 119.226 118.700 -0.106 0.000 2.354 518 N HA -0.066 4.539 4.740 -0.224 0.000 0.179 518 N C 1.428 176.880 175.510 -0.097 0.000 1.021 518 N CA 1.759 54.760 53.050 -0.082 0.000 0.887 518 N CB -0.507 37.949 38.487 -0.053 0.000 0.974 518 N HN 0.419 nan 8.380 nan 0.000 0.437 519 R N 0.451 120.882 120.500 -0.116 0.000 2.280 519 R HA 0.184 4.389 4.340 -0.224 0.000 0.195 519 R C 1.126 177.342 176.300 -0.139 0.000 0.935 519 R CA 0.970 57.007 56.100 -0.106 0.000 1.033 519 R CB -1.128 29.119 30.300 -0.088 0.000 0.964 519 R HN 0.679 nan 8.270 nan 0.000 0.489 520 T N -3.512 110.904 114.554 -0.229 0.000 2.909 520 T HA 0.615 4.831 4.350 -0.224 0.000 0.299 520 T C -0.443 174.056 174.700 -0.335 0.000 1.073 520 T CA -0.665 61.263 62.100 -0.286 0.000 0.999 520 T CB 1.439 70.041 68.868 -0.442 0.000 1.098 520 T HN 0.216 nan 8.240 nan 0.000 0.477 521 c N 1.030 119.519 118.600 -0.185 0.000 2.630 521 c HA 1.110 5.545 4.570 -0.224 0.000 0.346 521 c C 0.441 174.520 174.090 -0.018 0.000 1.245 521 c CA -0.727 55.480 56.329 -0.204 0.000 1.804 521 c CB 0.872 43.223 42.510 -0.266 0.000 2.279 521 c HN 1.402 nan 8.230 nan 0.000 0.498 522 K N -0.660 119.630 120.400 -0.184 0.000 2.482 522 K HA 0.908 5.093 4.320 -0.224 0.000 0.257 522 K C -0.496 176.104 176.600 0.000 0.000 0.969 522 K CA 0.134 56.420 56.287 -0.001 0.000 0.842 522 K CB 0.404 32.818 32.500 -0.144 0.000 1.359 522 K HN 1.661 nan 8.250 nan 0.000 0.441 523 I N -0.123 120.638 120.570 0.318 0.000 2.882 523 I HA 0.535 4.571 4.170 -0.224 0.000 0.286 523 I C 0.576 176.822 176.117 0.214 0.000 1.139 523 I CA -0.704 60.764 61.300 0.280 0.000 1.379 523 I CB -0.141 38.062 38.000 0.338 0.000 1.410 523 I HN 0.832 nan 8.210 nan 0.000 0.594 524 c N 3.813 122.490 118.600 0.127 0.000 2.411 524 c HA 0.701 5.136 4.570 -0.224 0.000 0.330 524 c C 0.723 174.837 174.090 0.040 0.000 1.224 524 c CA -0.831 55.508 56.329 0.018 0.000 1.770 524 c CB 0.307 42.816 42.510 -0.002 0.000 2.297 524 c HN 1.022 nan 8.230 nan 0.000 0.507 532 N N 0.000 118.710 118.700 0.017 0.000 1.763 532 N HA 0.000 4.605 4.740 -0.224 0.000 0.220 532 N CA 0.000 53.069 53.050 0.033 0.000 0.885 532 N CB 0.000 38.471 38.487 -0.026 0.000 1.341 532 N HN 0.000 nan 8.380 nan 0.000 0.667