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 2eud_1_A DATA FIRST_RESID 90 DATA SEQUENCE TTKQFSKVVE DLYRYVNAAT GKPAPMISDD VYNIVMENKD KLNSAIVYDR DATA SEQUENCE DFQYSYFGFK TLERSYLLRI NGQVAERPQH LIMRVALGIH GRDIEAALET DATA SEQUENCE YNLMSLKYFT HASPTLFNAG TPKPQMSSCF LVAMKEDSIE GIYDTLKECA DATA SEQUENCE LISKTAGGIG LHIHNIRSTG SYIAGTNGTS NGLIPMIRVF NNTARYVDQG DATA SEQUENCE GNKRPGAFAL YLEPWHADIF DFIDIRKNHG KEEIRARDLF PALWIPDLFM DATA SEQUENCE KRVEENGTWT LFSPTSAPGL SDCYGDEFEA LYTRYEKEGR GKTIKAQKLW DATA SEQUENCE YSILEAQTET GTPFVVYKDA CNRKSNQKNL GVIKSSNLCC EIVEYSAPDE DATA SEQUENCE TAVCNLASVA LPAFIETSED GKTSTYNFKK LHEIAKVVTR NLNRVIDRNY DATA SEQUENCE YPVEEARKSN MRHRPIALGV QGLADTFMLL RLPFDSEEAR LLNIQIFETI DATA SEQUENCE YHASMEASCE LAQKDGPYET FQGSPASQGI LQFDMWDQKP YGMWDWDTLR DATA SEQUENCE KDIMKHGVRN SLTMAPMPTA STSQILGYNE CFEPVTSNMX XXXXXXXXFQ DATA SEQUENCE VVNPYLLRDL VDLGIWDEGM KQYLITQNGS IQGLPNVPQE LKDLYKTVWE DATA SEQUENCE ISQKTIINMA ADRSVYIDQS HSLNLFLRAP TMGKLTSMHF YGWKKGLKTG DATA SEQUENCE MYYLRTQ 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 90 T HA 0.000 nan 4.350 nan 0.000 0.228 90 T C 0.000 174.748 174.700 0.080 0.000 1.109 90 T CA 0.000 62.144 62.100 0.073 0.000 1.349 90 T CB 0.000 68.920 68.868 0.086 0.000 0.612 91 T N 1.223 115.823 114.554 0.077 0.000 2.923 91 T HA 0.115 4.467 4.350 0.003 0.000 0.320 91 T C 1.107 175.882 174.700 0.125 0.000 1.074 91 T CA 0.572 62.712 62.100 0.067 0.000 1.131 91 T CB 0.478 69.370 68.868 0.039 0.000 1.058 91 T HN 0.795 nan 8.240 nan 0.000 0.535 92 K N 0.961 121.392 120.400 0.052 0.000 2.286 92 K HA 0.096 4.418 4.320 0.003 0.000 0.203 92 K C 1.066 177.726 176.600 0.100 0.000 1.078 92 K CA -0.063 56.220 56.287 -0.007 0.000 0.957 92 K CB 0.239 32.594 32.500 -0.242 0.000 1.018 92 K HN 0.656 nan 8.250 nan 0.000 0.484 93 Q N 1.241 121.069 119.800 0.046 0.000 2.247 93 Q HA -0.119 4.223 4.340 0.003 0.000 0.288 93 Q C 0.522 176.583 176.000 0.102 0.000 1.079 93 Q CA -0.219 55.645 55.803 0.101 0.000 0.932 93 Q CB 0.362 29.123 28.738 0.038 0.000 1.133 93 Q HN 0.287 nan 8.270 nan 0.000 0.377 94 F N 3.696 123.686 119.950 0.066 0.000 2.069 94 F HA -0.254 4.275 4.527 0.003 0.000 0.298 94 F C 2.234 177.973 175.800 -0.101 0.000 1.113 94 F CA 2.234 60.185 58.000 -0.083 0.000 1.214 94 F CB -0.654 38.387 39.000 0.067 0.000 0.978 94 F HN 0.747 nan 8.300 nan 0.000 0.474 95 S N -0.048 115.530 115.700 -0.203 0.000 2.402 95 S HA -0.261 4.211 4.470 0.003 0.000 0.233 95 S C 2.201 176.661 174.600 -0.234 0.000 1.030 95 S CA 1.343 59.358 58.200 -0.308 0.000 1.003 95 S CB -0.718 62.409 63.200 -0.121 0.000 0.813 95 S HN 0.421 nan 8.310 nan 0.000 0.477 96 K N 1.327 121.637 120.400 -0.150 0.000 2.062 96 K HA 0.077 4.399 4.320 0.003 0.000 0.205 96 K C 2.073 178.601 176.600 -0.120 0.000 1.051 96 K CA 1.291 57.523 56.287 -0.092 0.000 0.941 96 K CB -0.761 31.711 32.500 -0.048 0.000 0.719 96 K HN 0.403 nan 8.250 nan 0.000 0.440 97 V N 1.064 120.849 119.914 -0.214 0.000 2.407 97 V HA -0.194 3.928 4.120 0.003 0.000 0.248 97 V C 2.519 178.501 176.094 -0.187 0.000 1.055 97 V CA 1.273 63.447 62.300 -0.210 0.000 1.049 97 V CB -0.255 31.348 31.823 -0.366 0.000 0.662 97 V HN 0.017 nan 8.190 nan 0.000 0.455 98 V N -0.024 119.704 119.914 -0.312 0.000 2.343 98 V HA -0.251 3.871 4.120 0.003 0.000 0.247 98 V C 2.537 178.644 176.094 0.022 0.000 1.051 98 V CA 2.185 64.361 62.300 -0.207 0.000 1.036 98 V CB -0.546 31.046 31.823 -0.386 0.000 0.654 98 V HN 0.591 nan 8.190 nan 0.000 0.451 99 E N 0.796 121.024 120.200 0.048 0.000 2.038 99 E HA -0.235 4.116 4.350 0.003 0.000 0.195 99 E C 1.826 178.475 176.600 0.081 0.000 1.000 99 E CA 1.895 58.382 56.400 0.145 0.000 0.803 99 E CB -0.366 29.396 29.700 0.103 0.000 0.750 99 E HN 0.597 nan 8.360 nan 0.000 0.448 100 D N -0.089 120.332 120.400 0.036 0.000 2.104 100 D HA -0.154 4.488 4.640 0.003 0.000 0.194 100 D C 2.077 178.413 176.300 0.059 0.000 0.994 100 D CA 1.019 55.044 54.000 0.042 0.000 0.830 100 D CB -0.299 40.514 40.800 0.022 0.000 0.959 100 D HN 0.257 nan 8.370 nan 0.000 0.452 101 L N -0.569 120.674 121.223 0.033 0.000 2.141 101 L HA -0.178 4.164 4.340 0.003 0.000 0.209 101 L C 2.358 179.272 176.870 0.073 0.000 1.094 101 L CA 0.840 55.695 54.840 0.025 0.000 0.763 101 L CB -0.321 41.741 42.059 0.005 0.000 0.908 101 L HN 0.066 nan 8.230 nan 0.000 0.437 102 Y N 0.392 120.635 120.300 -0.095 0.000 2.365 102 Y HA -0.026 4.526 4.550 0.003 0.000 0.293 102 Y C 2.386 178.176 175.900 -0.183 0.000 1.119 102 Y CA 0.966 58.945 58.100 -0.202 0.000 1.203 102 Y CB 0.141 38.310 38.460 -0.485 0.000 1.026 102 Y HN -0.051 nan 8.280 nan 0.000 0.549 103 R N -0.692 119.736 120.500 -0.120 0.000 2.300 103 R HA -0.030 4.312 4.340 0.003 0.000 0.199 103 R C -0.247 175.997 176.300 -0.094 0.000 0.920 103 R CA -0.218 55.782 56.100 -0.167 0.000 1.046 103 R CB -1.250 29.007 30.300 -0.071 0.000 0.984 103 R HN 0.307 nan 8.270 nan 0.000 0.493 104 Y N 1.223 121.441 120.300 -0.137 0.000 2.904 104 Y HA -0.088 4.463 4.550 0.003 0.000 0.336 104 Y C -0.146 175.687 175.900 -0.112 0.000 1.263 104 Y CA 0.337 58.376 58.100 -0.102 0.000 1.547 104 Y CB 0.501 38.913 38.460 -0.081 0.000 1.272 104 Y HN -0.293 nan 8.280 nan 0.000 0.596 105 V N 7.175 126.525 119.914 -0.940 0.000 2.638 105 V HA 0.150 4.272 4.120 0.003 0.000 0.306 105 V C -0.328 175.171 176.094 -0.992 0.000 1.052 105 V CA -1.530 60.338 62.300 -0.720 0.000 0.885 105 V CB 1.833 33.427 31.823 -0.383 0.000 0.999 105 V HN 0.841 nan 8.190 nan 0.000 0.424 106 N N 3.369 121.722 118.700 -0.579 0.000 2.402 106 N HA 0.117 4.859 4.740 0.003 0.000 0.259 106 N C 1.145 176.526 175.510 -0.216 0.000 1.167 106 N CA 0.513 53.374 53.050 -0.316 0.000 0.949 106 N CB 1.731 40.163 38.487 -0.092 0.000 1.212 106 N HN 0.854 nan 8.380 nan 0.000 0.493 107 A N 4.557 127.259 122.820 -0.196 0.000 1.903 107 A HA -0.210 4.112 4.320 0.003 0.000 0.219 107 A C 2.108 179.647 177.584 -0.076 0.000 1.191 107 A CA 2.063 54.027 52.037 -0.122 0.000 0.638 107 A CB -0.828 18.124 19.000 -0.081 0.000 0.823 107 A HN 0.771 nan 8.150 nan 0.000 0.451 108 A N -2.424 120.365 122.820 -0.051 0.000 2.178 108 A HA 0.017 4.338 4.320 0.003 0.000 0.218 108 A C 2.084 179.645 177.584 -0.039 0.000 1.157 108 A CA 2.245 54.261 52.037 -0.034 0.000 0.689 108 A CB -0.575 18.414 19.000 -0.018 0.000 0.787 108 A HN 0.517 nan 8.150 nan 0.000 0.465 109 T N -3.366 111.155 114.554 -0.054 0.000 2.958 109 T HA 0.386 4.738 4.350 0.003 0.000 0.256 109 T C 1.163 175.824 174.700 -0.064 0.000 0.983 109 T CA 1.209 63.278 62.100 -0.051 0.000 0.924 109 T CB -0.086 68.754 68.868 -0.046 0.000 1.136 109 T HN 1.478 nan 8.240 nan 0.000 0.506 110 G N 2.311 111.059 108.800 -0.087 0.000 2.153 110 G HA2 -0.228 3.733 3.960 0.003 0.000 0.252 110 G HA3 -0.228 3.733 3.960 0.003 0.000 0.252 110 G C -0.149 174.691 174.900 -0.102 0.000 0.994 110 G CA 0.385 45.428 45.100 -0.094 0.000 0.698 110 G HN 0.563 nan 8.290 nan 0.000 0.521 111 K N 0.877 121.211 120.400 -0.109 0.000 2.211 111 K HA 0.461 4.783 4.320 0.003 0.000 0.275 111 K C -2.614 173.903 176.600 -0.139 0.000 1.024 111 K CA -2.017 54.208 56.287 -0.103 0.000 0.887 111 K CB 1.626 34.081 32.500 -0.075 0.000 1.084 111 K HN -0.005 nan 8.250 nan 0.000 0.463 112 P HA 0.003 nan 4.420 nan 0.000 0.271 112 P C -1.102 176.123 177.300 -0.125 0.000 1.220 112 P CA -0.057 62.946 63.100 -0.162 0.000 0.768 112 P CB 0.834 32.441 31.700 -0.155 0.000 0.848 113 A N 5.118 127.877 122.820 -0.101 0.000 3.216 113 A HA 0.404 4.726 4.320 0.003 0.000 0.321 113 A C -2.483 175.146 177.584 0.075 0.000 1.042 113 A CA -1.316 50.727 52.037 0.009 0.000 0.838 113 A CB 0.245 19.303 19.000 0.097 0.000 1.136 113 A HN 0.322 nan 8.150 nan 0.000 0.483 114 P HA 0.112 nan 4.420 nan 0.000 0.265 114 P C 0.151 177.446 177.300 -0.008 0.000 1.193 114 P CA 0.208 63.257 63.100 -0.085 0.000 0.765 114 P CB 0.760 32.301 31.700 -0.264 0.000 0.823 115 M N 2.535 122.145 119.600 0.017 0.000 2.475 115 M HA 0.304 4.786 4.480 0.003 0.000 0.283 115 M C 0.217 176.548 176.300 0.051 0.000 1.165 115 M CA 0.302 55.605 55.300 0.005 0.000 0.976 115 M CB 0.184 32.755 32.600 -0.049 0.000 1.428 115 M HN 0.261 nan 8.290 nan 0.000 0.495 116 I N -0.056 120.585 120.570 0.118 0.000 2.656 116 I HA 0.237 4.409 4.170 0.003 0.000 0.292 116 I C 0.167 176.413 176.117 0.216 0.000 1.144 116 I CA -0.800 60.594 61.300 0.157 0.000 1.038 116 I CB 2.491 40.592 38.000 0.168 0.000 1.244 116 I HN 0.097 nan 8.210 nan 0.000 0.420 117 S N 2.827 118.611 115.700 0.140 0.000 2.576 117 S HA 0.093 4.565 4.470 0.003 0.000 0.272 117 S C 0.523 175.232 174.600 0.182 0.000 1.352 117 S CA -0.449 57.834 58.200 0.139 0.000 1.021 117 S CB 1.042 64.292 63.200 0.083 0.000 0.887 117 S HN 0.570 nan 8.310 nan 0.000 0.542 118 D N 1.424 121.942 120.400 0.198 0.000 2.084 118 D HA -0.151 4.491 4.640 0.003 0.000 0.194 118 D C 1.861 178.221 176.300 0.100 0.000 0.990 118 D CA 1.768 55.888 54.000 0.199 0.000 0.826 118 D CB -0.560 40.346 40.800 0.177 0.000 0.971 118 D HN 0.875 nan 8.370 nan 0.000 0.453 119 D N 0.977 121.424 120.400 0.078 0.000 2.104 119 D HA -0.138 4.504 4.640 0.003 0.000 0.194 119 D C 2.081 178.394 176.300 0.021 0.000 0.994 119 D CA 0.993 55.021 54.000 0.045 0.000 0.830 119 D CB -0.546 40.283 40.800 0.047 0.000 0.959 119 D HN 0.103 nan 8.370 nan 0.000 0.452 120 V N 0.147 120.082 119.914 0.035 0.000 2.515 120 V HA -0.217 3.905 4.120 0.003 0.000 0.250 120 V C 2.358 178.437 176.094 -0.024 0.000 1.058 120 V CA 1.444 63.759 62.300 0.024 0.000 1.064 120 V CB -1.011 30.844 31.823 0.055 0.000 0.675 120 V HN 0.211 nan 8.190 nan 0.000 0.461 121 Y N 2.056 122.231 120.300 -0.208 0.000 2.163 121 Y HA -0.195 4.356 4.550 0.003 0.000 0.288 121 Y C 2.468 178.196 175.900 -0.286 0.000 1.136 121 Y CA 1.868 59.731 58.100 -0.394 0.000 1.147 121 Y CB -0.396 37.493 38.460 -0.952 0.000 0.987 121 Y HN 0.299 nan 8.280 nan 0.000 0.509 122 N N 0.577 119.106 118.700 -0.285 0.000 2.289 122 N HA -0.163 4.579 4.740 0.003 0.000 0.184 122 N C 1.898 177.273 175.510 -0.225 0.000 1.016 122 N CA 1.820 54.703 53.050 -0.278 0.000 0.872 122 N CB -0.324 38.108 38.487 -0.092 0.000 0.973 122 N HN 0.480 nan 8.380 nan 0.000 0.433 123 I N 0.190 120.670 120.570 -0.149 0.000 2.439 123 I HA -0.139 4.033 4.170 0.003 0.000 0.251 123 I C 1.969 178.024 176.117 -0.103 0.000 1.139 123 I CA 0.497 61.745 61.300 -0.088 0.000 1.438 123 I CB -0.035 37.950 38.000 -0.026 0.000 1.085 123 I HN -0.115 nan 8.210 nan 0.000 0.427 124 V N 0.435 120.252 119.914 -0.161 0.000 2.379 124 V HA -0.225 3.897 4.120 0.003 0.000 0.245 124 V C 2.508 178.473 176.094 -0.215 0.000 1.044 124 V CA 1.356 63.571 62.300 -0.141 0.000 1.036 124 V CB -0.412 31.281 31.823 -0.216 0.000 0.664 124 V HN 0.342 nan 8.190 nan 0.000 0.453 125 M N -0.254 119.116 119.600 -0.384 0.000 2.213 125 M HA -0.126 4.356 4.480 0.003 0.000 0.263 125 M C 1.957 178.140 176.300 -0.194 0.000 1.062 125 M CA 1.467 56.557 55.300 -0.350 0.000 1.105 125 M CB -1.136 31.143 32.600 -0.535 0.000 1.385 125 M HN 0.439 nan 8.290 nan 0.000 0.417 126 E N -0.187 119.915 120.200 -0.163 0.000 2.502 126 E HA -0.056 4.295 4.350 0.003 0.000 0.194 126 E C 0.084 176.647 176.600 -0.062 0.000 1.062 126 E CA 0.304 56.646 56.400 -0.096 0.000 0.867 126 E CB -0.018 29.634 29.700 -0.081 0.000 0.888 126 E HN 0.561 nan 8.360 nan 0.000 0.510 127 N N -0.325 118.339 118.700 -0.059 0.000 2.390 127 N HA -0.006 4.736 4.740 0.003 0.000 0.259 127 N C 0.505 176.009 175.510 -0.010 0.000 1.395 127 N CA -0.082 52.952 53.050 -0.026 0.000 0.852 127 N CB 0.608 39.087 38.487 -0.013 0.000 1.371 127 N HN 0.031 nan 8.380 nan 0.000 0.491 128 K N 0.148 120.531 120.400 -0.027 0.000 2.074 128 K HA -0.157 4.165 4.320 0.003 0.000 0.209 128 K C 0.415 177.031 176.600 0.026 0.000 1.048 128 K CA 1.445 57.730 56.287 -0.003 0.000 0.926 128 K CB -0.038 32.437 32.500 -0.041 0.000 0.713 128 K HN 0.077 nan 8.250 nan 0.000 0.444 129 D N 1.524 121.930 120.400 0.010 0.000 2.097 129 D HA -0.160 4.482 4.640 0.003 0.000 0.197 129 D C 1.957 178.269 176.300 0.019 0.000 0.984 129 D CA 1.325 55.336 54.000 0.017 0.000 0.826 129 D CB -0.107 40.697 40.800 0.007 0.000 0.973 129 D HN 0.363 nan 8.370 nan 0.000 0.460 130 K N 0.258 120.664 120.400 0.009 0.000 2.057 130 K HA -0.132 4.189 4.320 0.003 0.000 0.207 130 K C 2.002 178.597 176.600 -0.008 0.000 1.049 130 K CA 0.687 56.975 56.287 0.001 0.000 0.931 130 K CB 0.050 32.548 32.500 -0.004 0.000 0.714 130 K HN -0.068 nan 8.250 nan 0.000 0.440 131 L N 1.834 123.061 121.223 0.007 0.000 2.072 131 L HA -0.090 4.252 4.340 0.003 0.000 0.205 131 L C 1.941 178.803 176.870 -0.013 0.000 1.079 131 L CA 1.472 56.302 54.840 -0.017 0.000 0.752 131 L CB -1.293 40.819 42.059 0.088 0.000 0.906 131 L HN 0.260 nan 8.230 nan 0.000 0.436 132 N N -0.161 118.595 118.700 0.093 0.000 2.120 132 N HA -0.137 4.605 4.740 0.003 0.000 0.188 132 N C 1.712 177.283 175.510 0.102 0.000 1.024 132 N CA 1.616 54.752 53.050 0.144 0.000 0.852 132 N CB -0.206 38.370 38.487 0.147 0.000 1.003 132 N HN 0.417 nan 8.380 nan 0.000 0.424 133 S N -0.679 115.055 115.700 0.057 0.000 2.701 133 S HA 0.357 4.829 4.470 0.003 0.000 0.220 133 S C 1.446 176.058 174.600 0.019 0.000 0.954 133 S CA 0.210 58.442 58.200 0.054 0.000 0.936 133 S CB 0.330 63.555 63.200 0.043 0.000 0.777 133 S HN 0.311 nan 8.310 nan 0.000 0.518 134 A N 1.255 124.047 122.820 -0.046 0.000 2.063 134 A HA 0.474 4.796 4.320 0.003 0.000 0.211 134 A C 0.796 178.303 177.584 -0.128 0.000 1.177 134 A CA -0.167 51.819 52.037 -0.085 0.000 0.759 134 A CB -0.207 18.698 19.000 -0.158 0.000 0.857 134 A HN 0.562 nan 8.150 nan 0.000 0.468 135 I N 1.404 121.816 120.570 -0.263 0.000 2.556 135 I HA 0.077 4.249 4.170 0.003 0.000 0.284 135 I C -0.639 175.410 176.117 -0.114 0.000 1.114 135 I CA 0.023 61.108 61.300 -0.358 0.000 1.418 135 I CB 1.431 39.047 38.000 -0.639 0.000 1.394 135 I HN -0.097 nan 8.210 nan 0.000 0.552 136 V N 7.910 127.823 119.914 -0.002 0.000 2.240 136 V HA 0.075 4.197 4.120 0.003 0.000 0.265 136 V C 0.282 176.372 176.094 -0.006 0.000 1.073 136 V CA -0.367 61.964 62.300 0.052 0.000 0.857 136 V CB -0.096 31.774 31.823 0.078 0.000 1.114 136 V HN 0.615 nan 8.190 nan 0.000 0.469 137 Y N 0.444 120.801 120.300 0.094 0.000 2.446 137 Y HA -0.188 4.364 4.550 0.003 0.000 0.287 137 Y C 2.094 178.061 175.900 0.111 0.000 1.159 137 Y CA 1.362 59.504 58.100 0.069 0.000 1.297 137 Y CB -0.159 38.335 38.460 0.057 0.000 0.974 137 Y HN 0.557 nan 8.280 nan 0.000 0.557 138 D N -0.300 120.265 120.400 0.276 0.000 2.312 138 D HA -0.078 4.564 4.640 0.003 0.000 0.211 138 D C 1.714 178.199 176.300 0.307 0.000 0.964 138 D CA 0.540 54.760 54.000 0.367 0.000 0.877 138 D CB -0.139 40.799 40.800 0.229 0.000 0.924 138 D HN 0.439 nan 8.370 nan 0.000 0.515 139 R N 0.713 121.289 120.500 0.127 0.000 2.280 139 R HA -0.057 4.284 4.340 0.003 0.000 0.207 139 R C 1.051 177.371 176.300 0.033 0.000 1.043 139 R CA 0.434 56.555 56.100 0.034 0.000 1.006 139 R CB 0.118 30.391 30.300 -0.045 0.000 0.885 139 R HN 0.025 nan 8.270 nan 0.000 0.467 140 D N -0.130 120.285 120.400 0.024 0.000 2.350 140 D HA -0.114 4.528 4.640 0.003 0.000 0.216 140 D C 0.526 176.734 176.300 -0.152 0.000 0.968 140 D CA 0.986 54.971 54.000 -0.024 0.000 0.894 140 D CB 0.020 40.670 40.800 -0.251 0.000 0.909 140 D HN 0.183 nan 8.370 nan 0.000 0.520 141 F N 0.323 120.307 119.950 0.056 0.000 2.732 141 F HA 0.179 4.708 4.527 0.003 0.000 0.303 141 F C 1.856 177.609 175.800 -0.077 0.000 1.110 141 F CA 0.064 58.061 58.000 -0.005 0.000 1.355 141 F CB 0.101 39.083 39.000 -0.030 0.000 1.081 141 F HN -0.156 nan 8.300 nan 0.000 0.565 142 Q N -0.372 119.372 119.800 -0.094 0.000 2.247 142 Q HA 0.077 4.419 4.340 0.003 0.000 0.205 142 Q C -0.937 174.716 176.000 -0.579 0.000 0.896 142 Q CA 0.138 55.734 55.803 -0.346 0.000 0.950 142 Q CB 0.188 28.635 28.738 -0.485 0.000 1.054 142 Q HN 0.379 nan 8.270 nan 0.000 0.482 143 Y N -0.299 119.965 120.300 -0.059 0.000 2.376 143 Y HA 0.177 4.729 4.550 0.003 0.000 0.340 143 Y C 0.694 176.575 175.900 -0.032 0.000 0.965 143 Y CA -1.042 57.018 58.100 -0.066 0.000 1.078 143 Y CB 1.361 39.802 38.460 -0.031 0.000 1.193 143 Y HN -0.027 nan 8.280 nan 0.000 0.452 144 S N 1.512 117.262 115.700 0.084 0.000 2.612 144 S HA -0.070 4.402 4.470 0.003 0.000 0.253 144 S C 0.934 175.623 174.600 0.148 0.000 1.346 144 S CA -0.247 58.002 58.200 0.081 0.000 0.976 144 S CB 0.333 63.562 63.200 0.049 0.000 0.949 144 S HN 0.738 nan 8.310 nan 0.000 0.584 145 Y N 0.832 121.143 120.300 0.018 0.000 2.089 145 Y HA -0.103 4.449 4.550 0.003 0.000 0.282 145 Y C 2.042 177.998 175.900 0.094 0.000 1.139 145 Y CA 1.821 59.924 58.100 0.006 0.000 1.123 145 Y CB -0.773 37.599 38.460 -0.146 0.000 0.980 145 Y HN 0.728 nan 8.280 nan 0.000 0.493 146 F N 0.679 120.598 119.950 -0.052 0.000 2.293 146 F HA 0.033 4.562 4.527 0.003 0.000 0.300 146 F C 2.202 177.941 175.800 -0.102 0.000 1.086 146 F CA 1.300 59.231 58.000 -0.114 0.000 1.375 146 F CB -0.860 38.134 39.000 -0.011 0.000 1.045 146 F HN 0.080 nan 8.300 nan 0.000 0.516 147 G N -0.107 108.622 108.800 -0.119 0.000 2.453 147 G HA2 -0.330 3.631 3.960 0.003 0.000 0.215 147 G HA3 -0.330 3.631 3.960 0.003 0.000 0.215 147 G C 1.689 176.429 174.900 -0.267 0.000 1.201 147 G CA 0.809 45.791 45.100 -0.197 0.000 0.784 147 G HN 0.430 nan 8.290 nan 0.000 0.545 148 F N 1.737 121.523 119.950 -0.273 0.000 2.095 148 F HA -0.049 4.480 4.527 0.003 0.000 0.298 148 F C 2.609 178.187 175.800 -0.370 0.000 1.104 148 F CA 1.881 59.678 58.000 -0.339 0.000 1.232 148 F CB 0.036 38.891 39.000 -0.243 0.000 0.987 148 F HN -0.082 nan 8.300 nan 0.000 0.475 149 K N 0.072 120.247 120.400 -0.375 0.000 2.103 149 K HA -0.137 4.185 4.320 0.003 0.000 0.207 149 K C 2.072 178.405 176.600 -0.444 0.000 1.048 149 K CA 1.772 57.801 56.287 -0.431 0.000 0.930 149 K CB -1.101 31.172 32.500 -0.379 0.000 0.716 149 K HN 0.329 nan 8.250 nan 0.000 0.444 150 T N 2.037 116.262 114.554 -0.549 0.000 2.777 150 T HA -0.052 4.300 4.350 0.003 0.000 0.266 150 T C 2.029 176.564 174.700 -0.275 0.000 1.040 150 T CA 0.880 62.716 62.100 -0.439 0.000 1.141 150 T CB -0.107 68.402 68.868 -0.597 0.000 0.868 150 T HN 0.103 nan 8.240 nan 0.000 0.444 151 L N 0.597 121.535 121.223 -0.475 0.000 2.017 151 L HA -0.094 4.248 4.340 0.003 0.000 0.208 151 L C 2.797 179.498 176.870 -0.283 0.000 1.073 151 L CA 1.517 56.110 54.840 -0.413 0.000 0.745 151 L CB -0.457 41.220 42.059 -0.636 0.000 0.894 151 L HN 0.332 nan 8.230 nan 0.000 0.432 152 E N 0.308 120.174 120.200 -0.556 0.000 2.072 152 E HA -0.274 4.077 4.350 0.003 0.000 0.191 152 E C 2.342 178.818 176.600 -0.206 0.000 0.985 152 E CA 1.057 57.186 56.400 -0.452 0.000 0.801 152 E CB 0.089 29.395 29.700 -0.656 0.000 0.750 152 E HN 0.263 nan 8.360 nan 0.000 0.452 153 R N -0.509 119.891 120.500 -0.166 0.000 2.092 153 R HA -0.039 4.303 4.340 0.003 0.000 0.231 153 R C 1.242 177.515 176.300 -0.045 0.000 1.119 153 R CA 1.879 57.932 56.100 -0.078 0.000 0.970 153 R CB 0.156 30.422 30.300 -0.057 0.000 0.864 153 R HN 0.030 nan 8.270 nan 0.000 0.440 154 S N -2.004 113.709 115.700 0.023 0.000 2.744 154 S HA 0.171 4.643 4.470 0.003 0.000 0.265 154 S C 0.210 174.720 174.600 -0.150 0.000 1.065 154 S CA -0.543 57.607 58.200 -0.084 0.000 1.191 154 S CB 0.360 63.491 63.200 -0.116 0.000 1.150 154 S HN 0.236 nan 8.310 nan 0.000 0.646 155 Y N 1.634 121.940 120.300 0.010 0.000 2.472 155 Y HA 0.447 4.999 4.550 0.003 0.000 0.288 155 Y C 0.723 176.628 175.900 0.008 0.000 1.154 155 Y CA -0.513 57.637 58.100 0.085 0.000 1.238 155 Y CB -0.281 38.178 38.460 -0.002 0.000 1.287 155 Y HN 0.046 nan 8.280 nan 0.000 0.524 156 L N 2.607 123.876 121.223 0.077 0.000 2.513 156 L HA -0.022 4.320 4.340 0.003 0.000 0.272 156 L C -0.111 176.761 176.870 0.003 0.000 1.187 156 L CA 0.063 54.913 54.840 0.016 0.000 0.895 156 L CB -0.019 42.004 42.059 -0.060 0.000 1.147 156 L HN 0.123 nan 8.230 nan 0.000 0.483 157 L N 4.908 126.143 121.223 0.020 0.000 2.525 157 L HA 0.097 4.439 4.340 0.003 0.000 0.278 157 L C 0.602 177.441 176.870 -0.053 0.000 1.218 157 L CA 0.372 55.198 54.840 -0.023 0.000 0.878 157 L CB 0.027 42.080 42.059 -0.010 0.000 1.127 157 L HN 0.648 nan 8.230 nan 0.000 0.492 158 R N 4.025 124.462 120.500 -0.105 0.000 2.778 158 R HA 0.667 5.009 4.340 0.003 0.000 0.277 158 R C -0.906 175.266 176.300 -0.214 0.000 0.977 158 R CA -0.905 55.124 56.100 -0.119 0.000 0.950 158 R CB 2.144 32.381 30.300 -0.105 0.000 1.165 158 R HN 0.503 nan 8.270 nan 0.000 0.474 159 I N 2.464 122.927 120.570 -0.178 0.000 2.420 159 I HA 0.116 4.288 4.170 0.003 0.000 0.282 159 I C -0.070 175.994 176.117 -0.088 0.000 1.019 159 I CA -0.394 60.753 61.300 -0.255 0.000 1.130 159 I CB 1.217 39.146 38.000 -0.118 0.000 1.262 159 I HN 0.715 nan 8.210 nan 0.000 0.454 160 N N 4.970 123.629 118.700 -0.069 0.000 2.754 160 N HA -0.177 4.565 4.740 0.003 0.000 0.248 160 N C 0.874 176.390 175.510 0.010 0.000 1.093 160 N CA 1.200 54.289 53.050 0.064 0.000 0.699 160 N CB -0.495 38.071 38.487 0.132 0.000 1.016 160 N HN 1.154 nan 8.380 nan 0.000 0.552 161 G N -0.994 107.787 108.800 -0.033 0.000 2.179 161 G HA2 -0.345 3.617 3.960 0.003 0.000 0.260 161 G HA3 -0.345 3.617 3.960 0.003 0.000 0.260 161 G C -0.103 174.784 174.900 -0.022 0.000 0.977 161 G CA 0.848 45.931 45.100 -0.027 0.000 0.641 161 G HN 0.622 nan 8.290 nan 0.000 0.533 162 Q N 0.208 119.994 119.800 -0.022 0.000 2.282 162 Q HA 0.625 4.967 4.340 0.003 0.000 0.260 162 Q C 0.386 176.376 176.000 -0.017 0.000 0.964 162 Q CA -0.633 55.166 55.803 -0.007 0.000 0.880 162 Q CB 1.855 30.599 28.738 0.010 0.000 1.286 162 Q HN 0.353 nan 8.270 nan 0.000 0.445 163 V N 3.857 123.768 119.914 -0.004 0.000 2.493 163 V HA 0.117 4.239 4.120 0.003 0.000 0.292 163 V C 0.748 176.856 176.094 0.024 0.000 1.016 163 V CA 1.149 63.447 62.300 -0.002 0.000 1.097 163 V CB 0.358 32.184 31.823 0.005 0.000 0.947 163 V HN 0.993 nan 8.190 nan 0.000 0.479 164 A N 4.261 127.093 122.820 0.020 0.000 2.085 164 A HA 0.238 4.560 4.320 0.003 0.000 0.208 164 A C 0.852 178.510 177.584 0.123 0.000 1.191 164 A CA 0.046 52.110 52.037 0.045 0.000 0.799 164 A CB 0.141 19.138 19.000 -0.004 0.000 0.877 164 A HN 0.754 nan 8.150 nan 0.000 0.473 165 E N 0.220 120.503 120.200 0.139 0.000 2.214 165 E HA 0.455 4.806 4.350 0.003 0.000 0.274 165 E C -0.591 176.143 176.600 0.224 0.000 0.977 165 E CA -0.624 55.940 56.400 0.274 0.000 0.827 165 E CB 1.347 31.167 29.700 0.200 0.000 1.130 165 E HN 0.278 nan 8.360 nan 0.000 0.394 166 R N 2.236 122.879 120.500 0.238 0.000 2.573 166 R HA 0.196 4.538 4.340 0.003 0.000 0.272 166 R C -1.768 174.471 176.300 -0.102 0.000 1.009 166 R CA -1.873 54.189 56.100 -0.063 0.000 1.059 166 R CB 0.607 30.693 30.300 -0.357 0.000 1.112 166 R HN 0.275 nan 8.270 nan 0.000 0.517 167 P HA -0.221 nan 4.420 nan 0.000 0.217 167 P C 0.831 178.077 177.300 -0.090 0.000 1.151 167 P CA 1.290 64.291 63.100 -0.164 0.000 0.849 167 P CB 0.318 31.852 31.700 -0.277 0.000 0.787 168 Q N -1.589 118.129 119.800 -0.137 0.000 2.119 168 Q HA -0.168 4.174 4.340 0.003 0.000 0.201 168 Q C 2.123 178.073 176.000 -0.083 0.000 0.972 168 Q CA 1.623 57.356 55.803 -0.116 0.000 0.847 168 Q CB -1.183 27.333 28.738 -0.370 0.000 0.903 168 Q HN 0.587 nan 8.270 nan 0.000 0.433 169 H N 0.216 119.296 119.070 0.015 0.000 2.321 169 H HA -0.064 4.494 4.556 0.003 0.000 0.300 169 H C 2.210 177.611 175.328 0.122 0.000 1.087 169 H CA 0.973 57.101 56.048 0.133 0.000 1.319 169 H CB 0.017 29.962 29.762 0.304 0.000 1.379 169 H HN 0.123 nan 8.280 nan 0.000 0.501 170 L N 0.865 122.208 121.223 0.200 0.000 2.083 170 L HA -0.162 4.180 4.340 0.003 0.000 0.209 170 L C 1.959 178.886 176.870 0.095 0.000 1.083 170 L CA 1.274 56.195 54.840 0.136 0.000 0.752 170 L CB -0.195 41.906 42.059 0.070 0.000 0.899 170 L HN 0.276 nan 8.230 nan 0.000 0.433 171 I N -0.844 119.766 120.570 0.068 0.000 2.315 171 I HA -0.275 3.896 4.170 0.003 0.000 0.248 171 I C 2.445 178.623 176.117 0.102 0.000 1.117 171 I CA 1.173 62.525 61.300 0.085 0.000 1.404 171 I CB -0.211 37.855 38.000 0.110 0.000 1.071 171 I HN 0.391 nan 8.210 nan 0.000 0.419 172 M N 0.901 120.487 119.600 -0.023 0.000 2.254 172 M HA -0.126 4.355 4.480 0.003 0.000 0.265 172 M C 2.277 178.561 176.300 -0.026 0.000 1.066 172 M CA 1.596 56.764 55.300 -0.219 0.000 1.123 172 M CB -0.520 31.526 32.600 -0.924 0.000 1.388 172 M HN 0.000 nan 8.290 nan 0.000 0.425 173 R N -0.736 119.835 120.500 0.117 0.000 2.073 173 R HA -0.107 4.235 4.340 0.003 0.000 0.234 173 R C 1.725 178.094 176.300 0.115 0.000 1.134 173 R CA 1.957 58.187 56.100 0.217 0.000 0.952 173 R CB -0.537 29.904 30.300 0.236 0.000 0.850 173 R HN 0.314 nan 8.270 nan 0.000 0.433 174 V N 1.334 121.296 119.914 0.079 0.000 2.343 174 V HA -0.223 3.898 4.120 0.003 0.000 0.247 174 V C 2.557 178.655 176.094 0.007 0.000 1.051 174 V CA 1.897 64.212 62.300 0.025 0.000 1.036 174 V CB -0.813 31.018 31.823 0.014 0.000 0.654 174 V HN 0.590 nan 8.190 nan 0.000 0.451 175 A N -0.184 122.675 122.820 0.065 0.000 1.883 175 A HA -0.190 4.132 4.320 0.003 0.000 0.217 175 A C 2.117 179.776 177.584 0.124 0.000 1.186 175 A CA 1.917 54.031 52.037 0.128 0.000 0.624 175 A CB -0.594 18.509 19.000 0.172 0.000 0.822 175 A HN 0.400 nan 8.150 nan 0.000 0.444 176 L N -0.192 121.090 121.223 0.099 0.000 2.056 176 L HA -0.034 4.308 4.340 0.003 0.000 0.207 176 L C 2.758 179.664 176.870 0.060 0.000 1.078 176 L CA 1.847 56.747 54.840 0.099 0.000 0.749 176 L CB -1.653 40.478 42.059 0.119 0.000 0.901 176 L HN 0.412 nan 8.230 nan 0.000 0.433 177 G N -0.842 107.981 108.800 0.039 0.000 2.462 177 G HA2 -0.223 3.739 3.960 0.003 0.000 0.220 177 G HA3 -0.223 3.739 3.960 0.003 0.000 0.220 177 G C 1.695 176.565 174.900 -0.049 0.000 1.121 177 G CA 0.930 46.035 45.100 0.008 0.000 0.758 177 G HN 0.386 nan 8.290 nan 0.000 0.559 178 I N -0.769 119.730 120.570 -0.118 0.000 2.385 178 I HA 0.013 4.185 4.170 0.003 0.000 0.244 178 I C 2.190 178.129 176.117 -0.297 0.000 1.089 178 I CA 0.656 61.794 61.300 -0.271 0.000 1.410 178 I CB -0.148 37.570 38.000 -0.471 0.000 1.117 178 I HN 0.123 nan 8.210 nan 0.000 0.429 179 H N 0.720 119.801 119.070 0.019 0.000 2.563 179 H HA 0.187 4.745 4.556 0.003 0.000 0.264 179 H C 1.561 176.903 175.328 0.024 0.000 0.957 179 H CA 0.740 56.803 56.048 0.025 0.000 1.173 179 H CB 0.046 29.828 29.762 0.033 0.000 1.420 179 H HN 0.420 nan 8.280 nan 0.000 0.551 180 G N 2.081 110.944 108.800 0.104 0.000 2.629 180 G HA2 -0.410 3.552 3.960 0.003 0.000 0.313 180 G HA3 -0.410 3.552 3.960 0.003 0.000 0.313 180 G C 1.325 176.268 174.900 0.072 0.000 1.217 180 G CA 0.550 45.694 45.100 0.073 0.000 0.994 180 G HN 0.322 nan 8.290 nan 0.000 0.549 181 R N 1.547 122.080 120.500 0.054 0.000 2.285 181 R HA 0.020 4.362 4.340 0.003 0.000 0.213 181 R C 1.086 177.408 176.300 0.037 0.000 1.068 181 R CA 0.902 57.024 56.100 0.037 0.000 1.004 181 R CB -0.687 29.630 30.300 0.027 0.000 0.873 181 R HN 0.553 nan 8.270 nan 0.000 0.467 182 D N 1.104 121.537 120.400 0.056 0.000 2.545 182 D HA 0.008 4.650 4.640 0.003 0.000 0.227 182 D C 0.998 177.306 176.300 0.013 0.000 1.150 182 D CA -0.153 53.866 54.000 0.031 0.000 1.046 182 D CB -0.021 40.804 40.800 0.043 0.000 1.098 182 D HN -0.114 nan 8.370 nan 0.000 0.502 183 I N 1.879 122.454 120.570 0.007 0.000 2.264 183 I HA -0.204 3.968 4.170 0.003 0.000 0.248 183 I C 2.282 178.384 176.117 -0.026 0.000 1.111 183 I CA 1.056 62.356 61.300 0.001 0.000 1.382 183 I CB -0.295 37.705 38.000 -0.001 0.000 1.060 183 I HN 0.445 nan 8.210 nan 0.000 0.418 184 E N 0.574 120.750 120.200 -0.040 0.000 2.110 184 E HA -0.235 4.117 4.350 0.003 0.000 0.193 184 E C 2.295 178.834 176.600 -0.102 0.000 0.988 184 E CA 1.193 57.561 56.400 -0.053 0.000 0.804 184 E CB -0.050 29.622 29.700 -0.046 0.000 0.745 184 E HN 0.503 nan 8.360 nan 0.000 0.458 185 A N 1.073 123.781 122.820 -0.187 0.000 1.898 185 A HA -0.026 4.296 4.320 0.003 0.000 0.216 185 A C 2.385 179.705 177.584 -0.440 0.000 1.181 185 A CA 1.531 53.305 52.037 -0.439 0.000 0.620 185 A CB -0.692 17.868 19.000 -0.734 0.000 0.819 185 A HN 0.399 nan 8.150 nan 0.000 0.442 186 A N -0.319 122.393 122.820 -0.180 0.000 1.902 186 A HA -0.048 4.274 4.320 0.003 0.000 0.217 186 A C 2.031 179.668 177.584 0.089 0.000 1.181 186 A CA 1.590 53.681 52.037 0.089 0.000 0.623 186 A CB -0.503 18.566 19.000 0.116 0.000 0.818 186 A HN 0.380 nan 8.150 nan 0.000 0.443 187 L N -0.135 121.110 121.223 0.036 0.000 2.046 187 L HA -0.180 4.162 4.340 0.003 0.000 0.208 187 L C 2.466 179.397 176.870 0.102 0.000 1.077 187 L CA 2.290 57.177 54.840 0.079 0.000 0.747 187 L CB -1.402 40.675 42.059 0.030 0.000 0.896 187 L HN 0.672 nan 8.230 nan 0.000 0.432 188 E N -0.590 119.628 120.200 0.031 0.000 2.031 188 E HA -0.202 4.150 4.350 0.003 0.000 0.193 188 E C 1.941 178.587 176.600 0.077 0.000 0.994 188 E CA 1.887 58.301 56.400 0.024 0.000 0.800 188 E CB 0.170 29.861 29.700 -0.015 0.000 0.752 188 E HN 0.343 nan 8.360 nan 0.000 0.447 189 T N 0.216 114.860 114.554 0.150 0.000 2.788 189 T HA -0.203 4.149 4.350 0.003 0.000 0.268 189 T C 1.446 176.198 174.700 0.087 0.000 1.044 189 T CA 1.454 63.714 62.100 0.266 0.000 1.139 189 T CB -0.496 68.640 68.868 0.447 0.000 0.867 189 T HN 0.360 nan 8.240 nan 0.000 0.454 190 Y N 2.825 123.129 120.300 0.007 0.000 2.145 190 Y HA -0.169 4.383 4.550 0.003 0.000 0.286 190 Y C 2.204 178.053 175.900 -0.086 0.000 1.145 190 Y CA 1.325 59.388 58.100 -0.063 0.000 1.148 190 Y CB -0.589 37.817 38.460 -0.090 0.000 0.981 190 Y HN 0.123 nan 8.280 nan 0.000 0.507 191 N N 0.531 119.012 118.700 -0.365 0.000 2.106 191 N HA -0.156 4.586 4.740 0.003 0.000 0.188 191 N C 2.002 177.329 175.510 -0.305 0.000 1.029 191 N CA 1.778 54.578 53.050 -0.416 0.000 0.848 191 N CB -0.554 37.853 38.487 -0.133 0.000 1.007 191 N HN 0.420 nan 8.380 nan 0.000 0.423 192 L N 0.538 121.644 121.223 -0.195 0.000 2.046 192 L HA -0.079 4.263 4.340 0.003 0.000 0.208 192 L C 2.450 179.155 176.870 -0.276 0.000 1.077 192 L CA 0.992 55.754 54.840 -0.130 0.000 0.747 192 L CB -0.322 41.766 42.059 0.047 0.000 0.896 192 L HN 0.144 nan 8.230 nan 0.000 0.432 193 M N -0.462 118.826 119.600 -0.519 0.000 2.156 193 M HA -0.144 4.338 4.480 0.003 0.000 0.264 193 M C 2.569 178.659 176.300 -0.351 0.000 1.067 193 M CA 1.955 56.916 55.300 -0.566 0.000 1.131 193 M CB -0.275 32.038 32.600 -0.477 0.000 1.368 193 M HN 0.357 nan 8.290 nan 0.000 0.416 194 S N 0.018 115.459 115.700 -0.432 0.000 2.447 194 S HA -0.055 4.417 4.470 0.003 0.000 0.233 194 S C 1.543 175.966 174.600 -0.296 0.000 1.006 194 S CA 0.678 58.641 58.200 -0.395 0.000 0.957 194 S CB -0.292 62.462 63.200 -0.743 0.000 0.773 194 S HN 0.303 nan 8.310 nan 0.000 0.507 195 L N 0.807 121.891 121.223 -0.233 0.000 2.592 195 L HA 0.422 4.764 4.340 0.003 0.000 0.227 195 L C 0.630 177.362 176.870 -0.229 0.000 1.127 195 L CA 0.511 55.262 54.840 -0.149 0.000 0.884 195 L CB -1.166 40.934 42.059 0.070 0.000 1.065 195 L HN 0.305 nan 8.230 nan 0.000 0.457 196 K N -2.222 118.049 120.400 -0.216 0.000 3.218 196 K HA -0.267 4.055 4.320 0.003 0.000 0.276 196 K C 0.585 177.064 176.600 -0.202 0.000 1.173 196 K CA 0.499 56.665 56.287 -0.203 0.000 0.812 196 K CB -1.944 30.430 32.500 -0.211 0.000 1.275 196 K HN 0.169 nan 8.250 nan 0.000 0.504 197 Y N -0.310 119.887 120.300 -0.171 0.000 2.420 197 Y HA 0.075 4.627 4.550 0.003 0.000 0.292 197 Y C 0.962 176.974 175.900 0.188 0.000 1.119 197 Y CA 1.161 59.215 58.100 -0.077 0.000 1.229 197 Y CB 0.359 38.810 38.460 -0.016 0.000 1.026 197 Y HN 0.334 nan 8.280 nan 0.000 0.554 198 F N -3.768 116.263 119.950 0.136 0.000 2.858 198 F HA 0.633 5.162 4.527 0.003 0.000 0.319 198 F C -0.959 174.867 175.800 0.044 0.000 1.166 198 F CA -1.235 56.812 58.000 0.080 0.000 0.899 198 F CB 1.440 40.477 39.000 0.063 0.000 1.332 198 F HN -0.410 nan 8.300 nan 0.000 0.461 199 T N -0.603 114.079 114.554 0.213 0.000 2.821 199 T HA 0.409 4.761 4.350 0.003 0.000 0.306 199 T C -1.904 172.865 174.700 0.114 0.000 1.313 199 T CA -0.459 61.694 62.100 0.089 0.000 1.012 199 T CB 1.350 70.237 68.868 0.031 0.000 1.298 199 T HN 0.838 nan 8.240 nan 0.000 0.502 200 H N 0.205 119.355 119.070 0.135 0.000 2.559 200 H HA 0.691 5.249 4.556 0.003 0.000 0.343 200 H C 0.590 175.936 175.328 0.030 0.000 1.209 200 H CA -0.345 55.765 56.048 0.104 0.000 1.287 200 H CB 1.567 31.381 29.762 0.087 0.000 1.650 200 H HN 0.854 nan 8.280 nan 0.000 0.567 201 A N 0.617 123.509 122.820 0.120 0.000 2.386 201 A HA 0.046 4.368 4.320 0.003 0.000 0.246 201 A C 1.410 178.967 177.584 -0.046 0.000 1.089 201 A CA 0.156 52.214 52.037 0.035 0.000 0.790 201 A CB 0.122 19.139 19.000 0.029 0.000 1.042 201 A HN 0.807 nan 8.150 nan 0.000 0.497 202 S N 1.439 117.066 115.700 -0.123 0.000 2.365 202 S HA -0.132 4.339 4.470 0.003 0.000 0.225 202 S C -0.659 173.443 174.600 -0.830 0.000 1.039 202 S CA 2.280 60.198 58.200 -0.470 0.000 1.033 202 S CB -1.300 61.662 63.200 -0.396 0.000 0.887 202 S HN 0.712 nan 8.310 nan 0.000 0.447 203 P HA -0.073 nan 4.420 nan 0.000 0.217 203 P C 1.353 178.643 177.300 -0.017 0.000 1.148 203 P CA 1.333 64.432 63.100 -0.001 0.000 0.828 203 P CB -0.233 31.523 31.700 0.093 0.000 0.783 204 T N -0.796 113.723 114.554 -0.058 0.000 2.812 204 T HA -0.016 4.336 4.350 0.003 0.000 0.264 204 T C 1.663 176.347 174.700 -0.026 0.000 1.042 204 T CA 0.917 63.004 62.100 -0.020 0.000 1.140 204 T CB -0.739 68.136 68.868 0.012 0.000 0.870 204 T HN 0.078 nan 8.240 nan 0.000 0.445 205 L N -0.293 120.881 121.223 -0.083 0.000 2.141 205 L HA 0.036 4.378 4.340 0.003 0.000 0.209 205 L C 2.190 179.104 176.870 0.074 0.000 1.094 205 L CA 1.226 56.062 54.840 -0.006 0.000 0.763 205 L CB -0.660 41.424 42.059 0.042 0.000 0.908 205 L HN 0.291 nan 8.230 nan 0.000 0.437 206 F N 0.564 120.539 119.950 0.043 0.000 2.053 206 F HA -0.153 4.376 4.527 0.003 0.000 0.292 206 F C 2.299 178.090 175.800 -0.016 0.000 1.125 206 F CA 0.826 58.803 58.000 -0.038 0.000 1.193 206 F CB -0.203 38.745 39.000 -0.087 0.000 0.996 206 F HN 0.161 nan 8.300 nan 0.000 0.470 207 N N 0.363 119.199 118.700 0.227 0.000 2.392 207 N HA 0.117 4.859 4.740 0.003 0.000 0.177 207 N C 0.397 175.948 175.510 0.068 0.000 1.066 207 N CA 0.393 53.514 53.050 0.119 0.000 0.895 207 N CB -0.251 38.305 38.487 0.114 0.000 0.988 207 N HN 0.010 nan 8.380 nan 0.000 0.457 208 A N 0.538 123.389 122.820 0.052 0.000 2.548 208 A HA 0.437 4.759 4.320 0.003 0.000 0.247 208 A C 1.437 179.047 177.584 0.043 0.000 1.067 208 A CA 0.747 52.797 52.037 0.021 0.000 0.757 208 A CB -0.459 18.530 19.000 -0.018 0.000 0.996 208 A HN 0.460 nan 8.150 nan 0.000 0.504 209 G N 1.837 110.661 108.800 0.040 0.000 2.176 209 G HA2 -0.180 3.782 3.960 0.003 0.000 0.253 209 G HA3 -0.180 3.782 3.960 0.003 0.000 0.253 209 G C 0.553 175.491 174.900 0.063 0.000 0.979 209 G CA 1.166 46.302 45.100 0.060 0.000 0.641 209 G HN 2.105 nan 8.290 nan 0.000 0.530 210 T N -2.512 112.071 114.554 0.048 0.000 2.936 210 T HA 0.694 5.046 4.350 0.003 0.000 0.282 210 T C -0.911 173.796 174.700 0.012 0.000 1.003 210 T CA -1.034 61.087 62.100 0.035 0.000 1.005 210 T CB 2.564 71.444 68.868 0.020 0.000 1.097 210 T HN -0.109 nan 8.240 nan 0.000 0.532 211 P HA -0.070 nan 4.420 nan 0.000 0.215 211 P C 0.207 177.433 177.300 -0.123 0.000 1.157 211 P CA 1.327 64.404 63.100 -0.038 0.000 0.874 211 P CB 0.086 31.758 31.700 -0.046 0.000 0.790 212 K N -0.245 120.038 120.400 -0.195 0.000 2.459 212 K HA 0.215 4.537 4.320 0.003 0.000 0.218 212 K C -2.338 174.157 176.600 -0.175 0.000 1.067 212 K CA -1.579 54.454 56.287 -0.424 0.000 1.045 212 K CB 0.789 32.920 32.500 -0.614 0.000 1.623 212 K HN 0.143 nan 8.250 nan 0.000 0.509 213 P HA -0.037 nan 4.420 nan 0.000 0.249 213 P C -0.590 176.772 177.300 0.104 0.000 1.737 213 P CA -0.181 62.945 63.100 0.043 0.000 1.128 213 P CB 0.359 32.080 31.700 0.036 0.000 1.942 214 Q N 3.101 122.987 119.800 0.144 0.000 2.441 214 Q HA 0.244 4.586 4.340 0.003 0.000 0.234 214 Q C 0.622 176.693 176.000 0.118 0.000 1.078 214 Q CA -0.094 55.819 55.803 0.183 0.000 0.907 214 Q CB 0.632 29.542 28.738 0.287 0.000 1.269 214 Q HN 0.435 nan 8.270 nan 0.000 0.502 215 M N 0.336 119.961 119.600 0.043 0.000 2.495 215 M HA 0.111 4.593 4.480 0.003 0.000 0.237 215 M C 0.455 176.761 176.300 0.010 0.000 1.131 215 M CA 0.056 55.370 55.300 0.024 0.000 1.032 215 M CB 0.612 33.204 32.600 -0.014 0.000 1.513 215 M HN 0.164 nan 8.290 nan 0.000 0.488 216 S N -0.143 115.550 115.700 -0.013 0.000 2.601 216 S HA 0.202 4.674 4.470 0.003 0.000 0.271 216 S C 1.062 175.604 174.600 -0.097 0.000 1.305 216 S CA -0.583 57.554 58.200 -0.105 0.000 1.022 216 S CB 1.658 64.698 63.200 -0.265 0.000 0.940 216 S HN 0.165 nan 8.310 nan 0.000 0.525 217 S N 0.314 115.937 115.700 -0.128 0.000 2.458 217 S HA 0.178 4.650 4.470 0.003 0.000 0.223 217 S C 0.300 174.853 174.600 -0.078 0.000 1.019 217 S CA 0.083 58.249 58.200 -0.057 0.000 0.937 217 S CB -0.092 63.093 63.200 -0.025 0.000 0.788 217 S HN 0.771 nan 8.310 nan 0.000 0.511 218 C N -0.190 118.945 119.300 -0.275 0.000 3.321 218 C HA 0.671 5.133 4.460 0.003 0.000 0.329 218 C C -1.698 172.978 174.990 -0.525 0.000 1.394 218 C CA -1.366 57.540 59.018 -0.188 0.000 1.291 218 C CB 0.864 28.569 27.740 -0.060 0.000 1.606 218 C HN 0.348 nan 8.230 nan 0.000 0.463 219 F N 1.081 121.015 119.950 -0.027 0.000 2.569 219 F HA 0.678 5.207 4.527 0.003 0.000 0.312 219 F C -0.334 175.412 175.800 -0.089 0.000 1.109 219 F CA -0.847 57.129 58.000 -0.041 0.000 0.919 219 F CB 1.050 40.027 39.000 -0.038 0.000 1.211 219 F HN 0.178 nan 8.300 nan 0.000 0.446 220 L N 4.390 125.645 121.223 0.052 0.000 2.277 220 L HA 0.590 4.932 4.340 0.003 0.000 0.284 220 L C -0.735 176.095 176.870 -0.066 0.000 1.028 220 L CA -0.786 54.021 54.840 -0.055 0.000 0.835 220 L CB 1.003 42.997 42.059 -0.108 0.000 1.215 220 L HN 0.321 nan 8.230 nan 0.000 0.425 221 V N 2.280 122.112 119.914 -0.137 0.000 2.472 221 V HA 0.610 4.732 4.120 0.003 0.000 0.290 221 V C 0.545 176.393 176.094 -0.411 0.000 1.037 221 V CA -0.568 61.615 62.300 -0.195 0.000 0.908 221 V CB 1.749 33.464 31.823 -0.180 0.000 0.985 221 V HN 0.856 nan 8.190 nan 0.000 0.454 222 A N 4.908 127.495 122.820 -0.387 0.000 2.290 222 A HA 0.733 5.055 4.320 0.003 0.000 0.310 222 A C -0.184 177.164 177.584 -0.393 0.000 1.202 222 A CA -0.661 50.996 52.037 -0.633 0.000 0.837 222 A CB 0.737 19.628 19.000 -0.182 0.000 1.139 222 A HN 0.894 nan 8.150 nan 0.000 0.509 223 M N 3.033 122.370 119.600 -0.439 0.000 2.427 223 M HA 0.129 4.611 4.480 0.003 0.000 0.345 223 M C 0.898 177.156 176.300 -0.071 0.000 1.653 223 M CA 0.538 55.719 55.300 -0.198 0.000 1.138 223 M CB -0.333 32.162 32.600 -0.174 0.000 1.995 223 M HN 0.751 nan 8.290 nan 0.000 0.459 224 K N 2.528 122.913 120.400 -0.025 0.000 2.074 224 K HA -0.143 4.178 4.320 0.003 0.000 0.209 224 K C 0.316 176.942 176.600 0.043 0.000 1.048 224 K CA 1.765 58.061 56.287 0.015 0.000 0.926 224 K CB 0.009 32.526 32.500 0.029 0.000 0.713 224 K HN 0.806 nan 8.250 nan 0.000 0.444 225 E N -0.358 119.875 120.200 0.056 0.000 2.388 225 E HA -0.009 4.343 4.350 0.003 0.000 0.281 225 E C -1.860 174.790 176.600 0.083 0.000 1.046 225 E CA -0.424 56.019 56.400 0.072 0.000 0.825 225 E CB 1.409 31.151 29.700 0.070 0.000 1.243 225 E HN -0.085 nan 8.360 nan 0.000 0.438 226 D N 2.119 122.574 120.400 0.092 0.000 2.767 226 D HA 0.166 4.808 4.640 0.003 0.000 0.231 226 D C -1.195 175.162 176.300 0.094 0.000 1.105 226 D CA 0.389 54.450 54.000 0.100 0.000 1.024 226 D CB -0.308 40.559 40.800 0.111 0.000 1.123 226 D HN 0.410 nan 8.370 nan 0.000 0.470 227 S N 0.152 115.910 115.700 0.096 0.000 2.579 227 S HA 0.327 4.799 4.470 0.003 0.000 0.272 227 S C 1.049 175.723 174.600 0.122 0.000 1.141 227 S CA -0.881 57.374 58.200 0.093 0.000 0.843 227 S CB 0.969 64.216 63.200 0.078 0.000 1.122 227 S HN -0.062 nan 8.310 nan 0.000 0.468 228 I N 1.326 121.967 120.570 0.118 0.000 2.264 228 I HA -0.127 4.045 4.170 0.003 0.000 0.248 228 I C 2.544 178.792 176.117 0.219 0.000 1.111 228 I CA 1.891 63.296 61.300 0.176 0.000 1.382 228 I CB -1.178 36.866 38.000 0.072 0.000 1.060 228 I HN 1.005 nan 8.210 nan 0.000 0.418 229 E N 0.778 121.055 120.200 0.127 0.000 2.072 229 E HA -0.149 4.203 4.350 0.003 0.000 0.191 229 E C 2.340 179.021 176.600 0.134 0.000 0.985 229 E CA 1.251 57.721 56.400 0.118 0.000 0.801 229 E CB -0.241 29.500 29.700 0.069 0.000 0.750 229 E HN 0.434 nan 8.360 nan 0.000 0.452 230 G N 0.992 109.861 108.800 0.115 0.000 2.408 230 G HA2 -0.202 3.760 3.960 0.003 0.000 0.217 230 G HA3 -0.202 3.760 3.960 0.003 0.000 0.217 230 G C 1.568 176.534 174.900 0.111 0.000 1.150 230 G CA 0.726 45.885 45.100 0.098 0.000 0.776 230 G HN 0.236 nan 8.290 nan 0.000 0.542 231 I N -0.834 119.819 120.570 0.138 0.000 2.252 231 I HA -0.137 4.035 4.170 0.003 0.000 0.245 231 I C 2.323 178.421 176.117 -0.032 0.000 1.102 231 I CA 0.946 62.312 61.300 0.110 0.000 1.385 231 I CB -0.187 37.885 38.000 0.120 0.000 1.064 231 I HN 0.102 nan 8.210 nan 0.000 0.414 232 Y N 0.582 120.898 120.300 0.027 0.000 2.457 232 Y HA -0.163 4.389 4.550 0.003 0.000 0.292 232 Y C 2.194 178.096 175.900 0.003 0.000 1.125 232 Y CA 0.916 59.005 58.100 -0.019 0.000 1.254 232 Y CB -0.320 38.123 38.460 -0.028 0.000 1.012 232 Y HN 0.164 nan 8.280 nan 0.000 0.555 233 D N -1.043 119.431 120.400 0.123 0.000 2.149 233 D HA -0.112 4.530 4.640 0.003 0.000 0.201 233 D C 2.027 178.363 176.300 0.060 0.000 0.972 233 D CA 1.571 55.620 54.000 0.081 0.000 0.835 233 D CB -0.259 40.584 40.800 0.071 0.000 0.966 233 D HN 0.237 nan 8.370 nan 0.000 0.476 234 T N 1.177 115.776 114.554 0.075 0.000 2.821 234 T HA -0.111 4.241 4.350 0.003 0.000 0.267 234 T C 1.926 176.723 174.700 0.162 0.000 1.046 234 T CA 0.382 62.550 62.100 0.114 0.000 1.139 234 T CB -0.217 68.749 68.868 0.164 0.000 0.871 234 T HN 0.030 nan 8.240 nan 0.000 0.454 235 L N 1.575 122.809 121.223 0.018 0.000 2.046 235 L HA 0.011 4.353 4.340 0.003 0.000 0.208 235 L C 2.373 179.219 176.870 -0.040 0.000 1.077 235 L CA 1.845 56.564 54.840 -0.202 0.000 0.747 235 L CB -0.506 41.168 42.059 -0.641 0.000 0.896 235 L HN 0.088 nan 8.230 nan 0.000 0.432 236 K N -0.566 119.829 120.400 -0.009 0.000 2.057 236 K HA -0.261 4.061 4.320 0.003 0.000 0.207 236 K C 2.152 178.773 176.600 0.035 0.000 1.049 236 K CA 1.833 58.137 56.287 0.029 0.000 0.931 236 K CB -0.247 32.280 32.500 0.045 0.000 0.714 236 K HN 0.524 nan 8.250 nan 0.000 0.440 237 E N 0.094 120.314 120.200 0.034 0.000 2.077 237 E HA -0.202 4.149 4.350 0.003 0.000 0.193 237 E C 1.931 178.532 176.600 0.001 0.000 0.989 237 E CA 1.480 57.884 56.400 0.007 0.000 0.800 237 E CB -0.048 29.650 29.700 -0.003 0.000 0.746 237 E HN 0.451 nan 8.360 nan 0.000 0.452 238 C N 0.317 119.660 119.300 0.071 0.000 2.440 238 C HA -0.021 4.441 4.460 0.003 0.000 0.278 238 C C 2.828 177.911 174.990 0.155 0.000 1.295 238 C CA 0.820 59.907 59.018 0.115 0.000 1.738 238 C CB -0.968 26.981 27.740 0.348 0.000 1.987 238 C HN 0.586 nan 8.230 nan 0.000 0.492 239 A N 0.391 123.292 122.820 0.135 0.000 1.873 239 A HA -0.078 4.244 4.320 0.003 0.000 0.215 239 A C 2.101 179.717 177.584 0.054 0.000 1.186 239 A CA 1.360 53.464 52.037 0.111 0.000 0.616 239 A CB -0.602 18.452 19.000 0.089 0.000 0.823 239 A HN 0.589 nan 8.150 nan 0.000 0.442 240 L N -0.586 120.652 121.223 0.023 0.000 2.046 240 L HA -0.188 4.154 4.340 0.003 0.000 0.208 240 L C 2.493 179.337 176.870 -0.044 0.000 1.077 240 L CA 1.274 56.112 54.840 -0.002 0.000 0.747 240 L CB -0.504 41.548 42.059 -0.011 0.000 0.896 240 L HN 0.379 nan 8.230 nan 0.000 0.432 241 I N -0.886 119.618 120.570 -0.110 0.000 2.226 241 I HA -0.273 3.899 4.170 0.003 0.000 0.245 241 I C 2.543 178.596 176.117 -0.106 0.000 1.100 241 I CA 1.126 62.274 61.300 -0.253 0.000 1.374 241 I CB -0.184 37.564 38.000 -0.420 0.000 1.057 241 I HN 0.153 nan 8.210 nan 0.000 0.413 242 S N 0.394 116.099 115.700 0.009 0.000 2.442 242 S HA -0.137 4.335 4.470 0.003 0.000 0.236 242 S C 1.874 176.506 174.600 0.052 0.000 1.007 242 S CA 0.882 59.137 58.200 0.092 0.000 0.965 242 S CB -0.157 63.156 63.200 0.188 0.000 0.773 242 S HN 0.332 nan 8.310 nan 0.000 0.504 243 K N 0.954 121.368 120.400 0.023 0.000 2.113 243 K HA -0.102 4.220 4.320 0.003 0.000 0.208 243 K C 1.304 177.918 176.600 0.024 0.000 1.047 243 K CA 1.400 57.694 56.287 0.011 0.000 0.928 243 K CB -0.421 32.090 32.500 0.019 0.000 0.716 243 K HN 0.577 nan 8.250 nan 0.000 0.446 244 T N -1.981 112.605 114.554 0.054 0.000 2.819 244 T HA 0.603 4.955 4.350 0.003 0.000 0.271 244 T C 0.003 174.771 174.700 0.114 0.000 0.986 244 T CA -0.891 61.258 62.100 0.081 0.000 0.989 244 T CB 1.205 70.158 68.868 0.141 0.000 1.396 244 T HN 0.101 nan 8.240 nan 0.000 0.597 245 A N -0.598 122.315 122.820 0.155 0.000 2.425 245 A HA 0.663 4.985 4.320 0.003 0.000 0.242 245 A C 0.926 178.681 177.584 0.285 0.000 1.077 245 A CA 0.300 52.460 52.037 0.206 0.000 0.781 245 A CB -0.998 18.160 19.000 0.263 0.000 1.020 245 A HN 2.216 nan 8.150 nan 0.000 0.494 246 G N -0.734 108.228 108.800 0.270 0.000 2.592 246 G HA2 0.512 4.474 3.960 0.003 0.000 0.685 246 G HA3 0.512 4.474 3.960 0.003 0.000 0.685 246 G C -0.158 174.910 174.900 0.279 0.000 1.278 246 G CA -0.157 45.134 45.100 0.318 0.000 0.822 246 G HN 1.768 nan 8.290 nan 0.000 0.652 247 G N -0.731 108.202 108.800 0.222 0.000 2.488 247 G HA2 0.784 4.746 3.960 0.003 0.000 0.318 247 G HA3 0.784 4.746 3.960 0.003 0.000 0.318 247 G C -0.187 174.796 174.900 0.137 0.000 1.188 247 G CA -0.928 44.275 45.100 0.171 0.000 0.944 247 G HN 0.912 nan 8.290 nan 0.000 0.495 248 I N 0.033 120.591 120.570 -0.020 0.000 2.569 248 I HA 0.522 4.694 4.170 0.003 0.000 0.296 248 I C 0.361 176.408 176.117 -0.116 0.000 1.028 248 I CA -0.881 60.318 61.300 -0.169 0.000 1.082 248 I CB 2.537 40.139 38.000 -0.664 0.000 1.264 248 I HN 0.590 nan 8.210 nan 0.000 0.429 249 G N 5.528 114.286 108.800 -0.069 0.000 2.470 249 G HA2 0.665 4.627 3.960 0.003 0.000 0.320 249 G HA3 0.665 4.627 3.960 0.003 0.000 0.320 249 G C -1.727 173.114 174.900 -0.098 0.000 1.245 249 G CA -0.346 44.763 45.100 0.014 0.000 0.935 249 G HN 0.374 nan 8.290 nan 0.000 0.476 250 L N 3.509 124.693 121.223 -0.065 0.000 2.406 250 L HA 0.490 4.831 4.340 0.003 0.000 0.272 250 L C -0.278 176.457 176.870 -0.225 0.000 0.980 250 L CA -0.902 53.791 54.840 -0.245 0.000 0.831 250 L CB 1.415 43.276 42.059 -0.329 0.000 1.253 250 L HN 0.752 nan 8.230 nan 0.000 0.406 251 H N 5.068 123.945 119.070 -0.321 0.000 2.467 251 H HA 0.488 5.046 4.556 0.003 0.000 0.331 251 H C 0.028 175.039 175.328 -0.528 0.000 1.120 251 H CA -0.765 54.969 56.048 -0.523 0.000 1.270 251 H CB 1.633 30.990 29.762 -0.676 0.000 1.466 251 H HN 0.801 nan 8.280 nan 0.000 0.504 252 I N -0.175 120.071 120.570 -0.539 0.000 3.621 252 I HA 0.127 4.299 4.170 0.003 0.000 0.325 252 I C 0.233 176.179 176.117 -0.286 0.000 1.554 252 I CA -0.743 60.334 61.300 -0.372 0.000 1.053 252 I CB -0.033 37.752 38.000 -0.358 0.000 1.302 252 I HN 0.430 nan 8.210 nan 0.000 0.518 253 H N 2.775 121.819 119.070 -0.043 0.000 2.422 253 H HA -0.095 4.463 4.556 0.003 0.000 0.298 253 H C 1.523 177.002 175.328 0.251 0.000 1.098 253 H CA 1.783 57.851 56.048 0.033 0.000 1.315 253 H CB -0.361 29.481 29.762 0.133 0.000 1.382 253 H HN 0.652 nan 8.280 nan 0.000 0.523 254 N N 1.238 120.121 118.700 0.305 0.000 2.461 254 N HA -0.052 4.690 4.740 0.003 0.000 0.188 254 N C 0.405 176.051 175.510 0.226 0.000 1.134 254 N CA 0.145 53.363 53.050 0.281 0.000 0.878 254 N CB 0.070 38.688 38.487 0.220 0.000 0.972 254 N HN 0.134 nan 8.380 nan 0.000 0.456 255 I N 1.675 122.365 120.570 0.201 0.000 2.395 255 I HA 0.164 4.336 4.170 0.003 0.000 0.289 255 I C 1.030 177.333 176.117 0.309 0.000 1.023 255 I CA -0.746 60.668 61.300 0.191 0.000 1.350 255 I CB 0.709 38.770 38.000 0.102 0.000 1.409 255 I HN 0.011 nan 8.210 nan 0.000 0.507 256 R N 3.812 124.439 120.500 0.213 0.000 2.537 256 R HA 0.002 4.344 4.340 0.003 0.000 0.281 256 R C 0.486 176.905 176.300 0.198 0.000 0.988 256 R CA 0.141 56.347 56.100 0.177 0.000 1.077 256 R CB 0.495 30.873 30.300 0.130 0.000 0.932 256 R HN 0.861 nan 8.270 nan 0.000 0.409 257 S N 2.388 118.163 115.700 0.126 0.000 2.614 257 S HA 0.115 4.587 4.470 0.003 0.000 0.265 257 S C -0.071 174.603 174.600 0.123 0.000 1.303 257 S CA -0.886 57.397 58.200 0.139 0.000 1.000 257 S CB 1.321 64.502 63.200 -0.032 0.000 0.935 257 S HN 0.569 nan 8.310 nan 0.000 0.551 258 T N 1.727 116.360 114.554 0.132 0.000 2.905 258 T HA 0.413 4.765 4.350 0.003 0.000 0.299 258 T C 1.578 176.325 174.700 0.079 0.000 1.024 258 T CA 1.077 63.237 62.100 0.101 0.000 1.151 258 T CB -0.351 68.576 68.868 0.099 0.000 0.987 258 T HN 1.658 nan 8.240 nan 0.000 0.535 259 G N 3.044 111.886 108.800 0.069 0.000 2.234 259 G HA2 -0.303 3.659 3.960 0.003 0.000 0.260 259 G HA3 -0.303 3.659 3.960 0.003 0.000 0.260 259 G C 0.522 175.467 174.900 0.076 0.000 0.987 259 G CA 0.178 45.316 45.100 0.063 0.000 0.625 259 G HN 0.825 nan 8.290 nan 0.000 0.532 260 S N -0.080 115.670 115.700 0.084 0.000 2.563 260 S HA 0.346 4.818 4.470 0.003 0.000 0.284 260 S C 0.183 174.862 174.600 0.131 0.000 1.331 260 S CA -0.189 58.075 58.200 0.107 0.000 1.047 260 S CB 0.514 63.775 63.200 0.101 0.000 0.859 260 S HN 0.611 nan 8.310 nan 0.000 0.514 261 Y N 2.646 122.959 120.300 0.021 0.000 2.497 261 Y HA 0.372 4.924 4.550 0.003 0.000 0.334 261 Y C -0.174 175.740 175.900 0.023 0.000 1.199 261 Y CA 0.177 58.288 58.100 0.018 0.000 1.425 261 Y CB 0.276 38.742 38.460 0.010 0.000 1.291 261 Y HN 0.456 nan 8.280 nan 0.000 0.562 262 I N 6.043 126.246 120.570 -0.611 0.000 2.439 262 I HA 0.413 4.585 4.170 0.003 0.000 0.285 262 I C -0.426 175.246 176.117 -0.743 0.000 1.021 262 I CA -1.054 59.982 61.300 -0.440 0.000 1.091 262 I CB 1.517 39.383 38.000 -0.224 0.000 1.242 262 I HN 0.787 nan 8.210 nan 0.000 0.439 263 A N 4.144 126.730 122.820 -0.390 0.000 2.477 263 A HA 0.552 4.874 4.320 0.003 0.000 0.246 263 A C 1.174 178.677 177.584 -0.135 0.000 1.078 263 A CA 0.749 52.675 52.037 -0.185 0.000 0.770 263 A CB 0.043 19.092 19.000 0.081 0.000 1.011 263 A HN 1.311 nan 8.150 nan 0.000 0.494 264 G N 0.201 108.946 108.800 -0.092 0.000 2.157 264 G HA2 0.038 4.000 3.960 0.003 0.000 0.239 264 G HA3 0.038 4.000 3.960 0.003 0.000 0.239 264 G C 0.339 175.193 174.900 -0.076 0.000 0.982 264 G CA 0.885 45.950 45.100 -0.058 0.000 0.650 264 G HN 2.245 nan 8.290 nan 0.000 0.527 265 T N -1.840 112.640 114.554 -0.124 0.000 2.827 265 T HA 0.471 4.823 4.350 0.003 0.000 0.328 265 T C 0.414 175.038 174.700 -0.127 0.000 1.598 265 T CA 0.336 62.375 62.100 -0.101 0.000 1.043 265 T CB 0.684 69.498 68.868 -0.091 0.000 1.447 265 T HN 0.072 nan 8.240 nan 0.000 0.491 266 N N 0.448 119.105 118.700 -0.071 0.000 2.336 266 N HA 0.259 5.001 4.740 0.003 0.000 0.189 266 N C 0.962 176.444 175.510 -0.048 0.000 1.113 266 N CA 0.016 53.037 53.050 -0.049 0.000 0.858 266 N CB 0.295 38.774 38.487 -0.013 0.000 0.970 266 N HN 0.668 nan 8.380 nan 0.000 0.471 267 G N 0.043 108.807 108.800 -0.060 0.000 2.599 267 G HA2 0.348 4.310 3.960 0.003 0.000 0.264 267 G HA3 0.348 4.310 3.960 0.003 0.000 0.264 267 G C 0.031 174.896 174.900 -0.057 0.000 1.200 267 G CA -0.228 44.847 45.100 -0.042 0.000 0.896 267 G HN 0.119 nan 8.290 nan 0.000 0.536 268 T N -2.859 111.681 114.554 -0.023 0.000 2.916 268 T HA 0.590 4.942 4.350 0.003 0.000 0.292 268 T C 0.237 174.944 174.700 0.010 0.000 1.064 268 T CA -0.377 61.717 62.100 -0.010 0.000 1.011 268 T CB 1.518 70.401 68.868 0.026 0.000 1.152 268 T HN 0.731 nan 8.240 nan 0.000 0.510 269 S N 0.102 115.819 115.700 0.028 0.000 2.552 269 S HA 0.044 4.516 4.470 0.003 0.000 0.289 269 S C 1.114 175.749 174.600 0.058 0.000 1.304 269 S CA -0.130 58.100 58.200 0.049 0.000 1.063 269 S CB -0.609 62.635 63.200 0.073 0.000 0.848 269 S HN 0.742 nan 8.310 nan 0.000 0.499 270 N N 2.708 121.445 118.700 0.061 0.000 2.457 270 N HA 0.206 4.948 4.740 0.003 0.000 0.180 270 N C 0.923 176.482 175.510 0.081 0.000 1.050 270 N CA 0.270 53.357 53.050 0.063 0.000 0.906 270 N CB -0.078 38.444 38.487 0.058 0.000 0.968 270 N HN 0.908 nan 8.380 nan 0.000 0.445 271 G N 0.462 109.322 108.800 0.100 0.000 2.627 271 G HA2 -0.261 3.701 3.960 0.003 0.000 0.214 271 G HA3 -0.261 3.701 3.960 0.003 0.000 0.214 271 G C 0.372 175.345 174.900 0.123 0.000 1.331 271 G CA -0.514 44.664 45.100 0.130 0.000 0.891 271 G HN 0.058 nan 8.290 nan 0.000 0.539 272 L N 0.231 121.531 121.223 0.128 0.000 2.027 272 L HA -0.021 4.321 4.340 0.003 0.000 0.206 272 L C 3.166 180.090 176.870 0.089 0.000 1.074 272 L CA 1.219 56.106 54.840 0.077 0.000 0.745 272 L CB -0.615 41.447 42.059 0.005 0.000 0.898 272 L HN 0.578 nan 8.230 nan 0.000 0.433 273 I N 0.432 121.059 120.570 0.095 0.000 2.087 273 I HA -0.225 3.947 4.170 0.003 0.000 0.240 273 I C 0.010 176.165 176.117 0.063 0.000 1.054 273 I CA 2.092 63.436 61.300 0.073 0.000 1.311 273 I CB -2.716 35.319 38.000 0.059 0.000 1.024 273 I HN 0.176 nan 8.210 nan 0.000 0.402 274 P HA -0.158 nan 4.420 nan 0.000 0.218 274 P C 2.149 179.492 177.300 0.071 0.000 1.148 274 P CA 1.433 64.566 63.100 0.055 0.000 0.822 274 P CB -0.104 31.629 31.700 0.055 0.000 0.784 275 M N -1.255 118.404 119.600 0.098 0.000 2.156 275 M HA -0.106 4.376 4.480 0.003 0.000 0.264 275 M C 1.553 177.985 176.300 0.220 0.000 1.067 275 M CA 1.716 57.101 55.300 0.141 0.000 1.131 275 M CB -0.355 32.339 32.600 0.157 0.000 1.368 275 M HN -0.201 nan 8.290 nan 0.000 0.416 276 I N 0.775 121.446 120.570 0.168 0.000 2.208 276 I HA -0.291 3.881 4.170 0.003 0.000 0.245 276 I C 2.333 178.533 176.117 0.137 0.000 1.097 276 I CA 1.625 63.025 61.300 0.167 0.000 1.363 276 I CB -1.449 36.602 38.000 0.084 0.000 1.051 276 I HN 0.393 nan 8.210 nan 0.000 0.413 277 R N -0.035 120.506 120.500 0.067 0.000 2.152 277 R HA -0.099 4.243 4.340 0.003 0.000 0.232 277 R C 2.305 178.603 176.300 -0.004 0.000 1.117 277 R CA 0.828 56.938 56.100 0.016 0.000 0.981 277 R CB -0.233 30.068 30.300 0.001 0.000 0.870 277 R HN 0.234 nan 8.270 nan 0.000 0.451 278 V N 0.150 120.064 119.914 -0.000 0.000 2.358 278 V HA -0.209 3.913 4.120 0.003 0.000 0.246 278 V C 1.786 177.760 176.094 -0.201 0.000 1.047 278 V CA 1.672 63.901 62.300 -0.118 0.000 1.035 278 V CB -0.440 31.257 31.823 -0.209 0.000 0.658 278 V HN 0.159 nan 8.190 nan 0.000 0.452 279 F N 0.717 120.607 119.950 -0.101 0.000 2.186 279 F HA -0.141 4.388 4.527 0.003 0.000 0.299 279 F C 2.295 177.941 175.800 -0.256 0.000 1.090 279 F CA 2.002 59.929 58.000 -0.122 0.000 1.307 279 F CB -0.634 38.357 39.000 -0.014 0.000 1.019 279 F HN 0.206 nan 8.300 nan 0.000 0.489 280 N N 0.441 119.119 118.700 -0.037 0.000 2.069 280 N HA -0.267 4.475 4.740 0.003 0.000 0.191 280 N C 1.978 177.400 175.510 -0.146 0.000 1.031 280 N CA 1.511 54.480 53.050 -0.134 0.000 0.852 280 N CB -0.365 38.072 38.487 -0.084 0.000 1.018 280 N HN 0.140 nan 8.380 nan 0.000 0.423 281 N N -0.551 118.087 118.700 -0.104 0.000 2.149 281 N HA -0.136 4.606 4.740 0.003 0.000 0.188 281 N C 1.124 176.593 175.510 -0.068 0.000 1.019 281 N CA 1.561 54.562 53.050 -0.082 0.000 0.857 281 N CB -0.354 38.086 38.487 -0.079 0.000 0.997 281 N HN 0.250 nan 8.380 nan 0.000 0.426 282 T N 0.381 114.868 114.554 -0.112 0.000 2.904 282 T HA 0.115 4.467 4.350 0.003 0.000 0.267 282 T C 1.843 176.507 174.700 -0.060 0.000 1.059 282 T CA 0.990 63.062 62.100 -0.048 0.000 1.137 282 T CB -0.273 68.531 68.868 -0.106 0.000 0.879 282 T HN 0.455 nan 8.240 nan 0.000 0.467 283 A N 1.535 124.201 122.820 -0.257 0.000 1.969 283 A HA -0.054 4.268 4.320 0.003 0.000 0.218 283 A C 2.319 179.838 177.584 -0.108 0.000 1.169 283 A CA 1.157 52.994 52.037 -0.333 0.000 0.635 283 A CB -0.319 18.248 19.000 -0.721 0.000 0.810 283 A HN 0.405 nan 8.150 nan 0.000 0.445 284 R N -2.567 117.893 120.500 -0.066 0.000 2.161 284 R HA -0.003 4.339 4.340 0.003 0.000 0.213 284 R C 2.033 178.369 176.300 0.061 0.000 1.055 284 R CA 1.177 57.275 56.100 -0.003 0.000 0.996 284 R CB -0.306 29.991 30.300 -0.006 0.000 0.901 284 R HN 0.671 nan 8.270 nan 0.000 0.456 285 Y N 1.153 121.421 120.300 -0.053 0.000 2.206 285 Y HA -0.001 4.551 4.550 0.003 0.000 0.292 285 Y C 0.860 176.750 175.900 -0.017 0.000 1.123 285 Y CA 0.557 58.636 58.100 -0.034 0.000 1.142 285 Y CB 0.195 38.631 38.460 -0.039 0.000 1.006 285 Y HN -0.316 nan 8.280 nan 0.000 0.518 286 V N 3.133 122.943 119.914 -0.173 0.000 2.054 286 V HA -0.008 4.114 4.120 0.003 0.000 0.243 286 V C 0.814 176.835 176.094 -0.121 0.000 1.480 286 V CA 0.537 62.694 62.300 -0.237 0.000 1.440 286 V CB -0.513 31.267 31.823 -0.072 0.000 1.489 286 V HN 0.387 nan 8.190 nan 0.000 0.502 287 D N 1.457 121.762 120.400 -0.159 0.000 2.197 287 D HA -0.042 4.600 4.640 0.003 0.000 0.212 287 D C 1.644 177.898 176.300 -0.076 0.000 0.963 287 D CA 0.659 54.609 54.000 -0.083 0.000 0.864 287 D CB 0.372 41.128 40.800 -0.073 0.000 1.009 287 D HN 0.414 nan 8.370 nan 0.000 0.479 288 Q N 0.612 120.348 119.800 -0.107 0.000 2.362 288 Q HA 0.072 4.414 4.340 0.003 0.000 0.210 288 Q C 1.350 177.303 176.000 -0.079 0.000 0.924 288 Q CA 0.016 55.765 55.803 -0.089 0.000 0.982 288 Q CB -0.552 28.128 28.738 -0.097 0.000 1.028 288 Q HN 0.228 nan 8.270 nan 0.000 0.482 289 G N -0.177 108.584 108.800 -0.065 0.000 2.572 289 G HA2 0.077 4.039 3.960 0.003 0.000 0.216 289 G HA3 0.077 4.039 3.960 0.003 0.000 0.216 289 G C 1.201 176.044 174.900 -0.094 0.000 1.133 289 G CA 0.511 45.576 45.100 -0.059 0.000 0.791 289 G HN 0.533 nan 8.290 nan 0.000 0.538 290 G N 1.262 110.000 108.800 -0.103 0.000 4.825 290 G HA2 -0.490 3.472 3.960 0.003 0.000 0.224 290 G HA3 -0.490 3.472 3.960 0.003 0.000 0.224 290 G C 1.563 176.336 174.900 -0.213 0.000 1.356 290 G CA 0.991 46.004 45.100 -0.145 0.000 0.966 290 G HN 0.564 nan 8.290 nan 0.000 0.690 291 N N 2.052 120.585 118.700 -0.278 0.000 2.205 291 N HA -0.089 4.653 4.740 0.003 0.000 0.186 291 N C 1.121 176.506 175.510 -0.209 0.000 1.015 291 N CA 1.777 54.557 53.050 -0.450 0.000 0.862 291 N CB -0.255 38.009 38.487 -0.371 0.000 0.986 291 N HN 0.718 nan 8.380 nan 0.000 0.429 292 K N 0.911 121.263 120.400 -0.080 0.000 2.355 292 K HA 0.039 4.361 4.320 0.003 0.000 0.270 292 K C -0.409 176.211 176.600 0.033 0.000 1.003 292 K CA -0.062 56.236 56.287 0.018 0.000 0.957 292 K CB 0.552 33.074 32.500 0.037 0.000 0.939 292 K HN 0.087 nan 8.250 nan 0.000 0.482 293 R N 4.696 125.252 120.500 0.094 0.000 2.255 293 R HA 0.165 4.507 4.340 0.003 0.000 0.326 293 R C -1.886 174.492 176.300 0.131 0.000 0.986 293 R CA -1.813 54.353 56.100 0.111 0.000 0.847 293 R CB 1.035 31.423 30.300 0.145 0.000 1.111 293 R HN 0.660 nan 8.270 nan 0.000 0.452 294 P HA -0.352 nan 4.420 nan 0.000 0.249 294 P C 1.056 178.432 177.300 0.127 0.000 0.857 294 P CA 1.691 64.848 63.100 0.095 0.000 1.100 294 P CB 0.032 31.787 31.700 0.092 0.000 0.761 295 G N -0.830 108.052 108.800 0.136 0.000 2.736 295 G HA2 -0.016 3.946 3.960 0.003 0.000 0.214 295 G HA3 -0.016 3.946 3.960 0.003 0.000 0.214 295 G C 0.744 175.853 174.900 0.348 0.000 1.327 295 G CA 2.160 47.345 45.100 0.142 0.000 0.818 295 G HN 0.866 nan 8.290 nan 0.000 0.611 296 A N -1.983 121.099 122.820 0.437 0.000 2.872 296 A HA -0.164 4.158 4.320 0.003 0.000 0.273 296 A C 0.278 178.198 177.584 0.560 0.000 1.442 296 A CA 1.028 53.336 52.037 0.451 0.000 0.801 296 A CB -2.257 16.939 19.000 0.325 0.000 1.031 296 A HN 0.428 nan 8.150 nan 0.000 0.582 297 F N -0.799 119.324 119.950 0.288 0.000 2.443 297 F HA 0.603 5.132 4.527 0.003 0.000 0.335 297 F C 0.669 176.636 175.800 0.279 0.000 1.104 297 F CA -0.160 57.973 58.000 0.223 0.000 1.013 297 F CB 1.866 40.958 39.000 0.154 0.000 1.136 297 F HN 0.478 nan 8.300 nan 0.000 0.470 298 A N 5.238 128.258 122.820 0.332 0.000 2.355 298 A HA 0.811 5.133 4.320 0.003 0.000 0.317 298 A C -1.291 176.405 177.584 0.186 0.000 1.094 298 A CA -0.628 51.578 52.037 0.282 0.000 0.764 298 A CB 1.017 20.212 19.000 0.325 0.000 1.230 298 A HN 0.774 nan 8.150 nan 0.000 0.448 299 L N 2.000 123.278 121.223 0.092 0.000 2.322 299 L HA 0.485 4.827 4.340 0.003 0.000 0.281 299 L C -1.343 175.564 176.870 0.062 0.000 1.014 299 L CA -0.578 54.333 54.840 0.120 0.000 0.815 299 L CB 1.408 43.604 42.059 0.228 0.000 1.247 299 L HN 0.704 nan 8.230 nan 0.000 0.421 300 Y N 3.884 124.155 120.300 -0.048 0.000 2.335 300 Y HA 0.627 5.178 4.550 0.003 0.000 0.338 300 Y C -0.238 175.472 175.900 -0.316 0.000 0.977 300 Y CA -0.442 57.602 58.100 -0.093 0.000 1.114 300 Y CB 1.815 40.158 38.460 -0.196 0.000 1.182 300 Y HN 0.355 nan 8.280 nan 0.000 0.463 301 L N 3.414 124.554 121.223 -0.138 0.000 2.455 301 L HA 0.424 4.766 4.340 0.003 0.000 0.264 301 L C -0.920 175.903 176.870 -0.079 0.000 0.968 301 L CA -0.723 53.935 54.840 -0.304 0.000 0.827 301 L CB 2.203 43.557 42.059 -1.176 0.000 1.317 301 L HN 0.667 nan 8.230 nan 0.000 0.407 302 E N 5.224 125.358 120.200 -0.110 0.000 2.338 302 E HA 0.139 4.490 4.350 0.003 0.000 0.272 302 E C -1.645 174.631 176.600 -0.541 0.000 1.029 302 E CA -1.586 54.594 56.400 -0.367 0.000 0.872 302 E CB 1.043 30.378 29.700 -0.607 0.000 1.015 302 E HN 0.383 nan 8.360 nan 0.000 0.417 303 P HA -0.157 nan 4.420 nan 0.000 0.234 303 P C 0.438 177.898 177.300 0.267 0.000 1.162 303 P CA 1.071 64.017 63.100 -0.256 0.000 0.759 303 P CB -0.082 31.155 31.700 -0.773 0.000 0.813 304 W N -1.726 119.900 121.300 0.545 0.000 3.278 304 W HA 0.178 4.839 4.660 0.002 0.000 0.308 304 W C 0.460 177.170 176.519 0.319 0.000 1.253 304 W CA -0.545 57.085 57.345 0.475 0.000 1.759 304 W CB -1.453 28.309 29.460 0.504 0.000 1.093 304 W HN -0.043 nan 8.180 nan 0.000 0.648 305 H N 2.056 121.115 119.070 -0.018 0.000 2.929 305 H HA 0.229 4.787 4.556 0.003 0.000 0.317 305 H C 1.342 176.767 175.328 0.162 0.000 1.031 305 H CA 0.989 57.072 56.048 0.058 0.000 1.466 305 H CB 1.885 31.477 29.762 -0.283 0.000 1.482 305 H HN 0.097 nan 8.280 nan 0.000 0.561 306 A N 4.374 127.216 122.820 0.037 0.000 2.084 306 A HA -0.165 4.157 4.320 0.003 0.000 0.221 306 A C 1.465 179.201 177.584 0.253 0.000 1.161 306 A CA 1.596 53.713 52.037 0.133 0.000 0.653 306 A CB 0.014 19.040 19.000 0.043 0.000 0.802 306 A HN 0.733 nan 8.150 nan 0.000 0.457 307 D N -0.945 119.704 120.400 0.414 0.000 2.342 307 D HA 0.095 4.737 4.640 0.003 0.000 0.221 307 D C 1.275 177.748 176.300 0.288 0.000 1.101 307 D CA -0.157 54.047 54.000 0.341 0.000 0.837 307 D CB 0.127 41.119 40.800 0.320 0.000 0.938 307 D HN 0.396 nan 8.370 nan 0.000 0.508 308 I N 0.084 120.811 120.570 0.261 0.000 2.194 308 I HA -0.285 3.887 4.170 0.003 0.000 0.246 308 I C 1.662 177.841 176.117 0.103 0.000 1.093 308 I CA 1.399 62.771 61.300 0.120 0.000 1.355 308 I CB -0.235 37.773 38.000 0.014 0.000 1.046 308 I HN -0.124 nan 8.210 nan 0.000 0.413 309 F N 0.675 120.708 119.950 0.138 0.000 2.171 309 F HA -0.226 4.302 4.527 0.002 0.000 0.300 309 F C 2.345 178.188 175.800 0.073 0.000 1.090 309 F CA 1.833 59.895 58.000 0.103 0.000 1.293 309 F CB -0.539 38.522 39.000 0.101 0.000 1.013 309 F HN 0.145 nan 8.300 nan 0.000 0.486 310 D N -0.824 119.733 120.400 0.261 0.000 2.194 310 D HA -0.144 4.497 4.640 0.003 0.000 0.204 310 D C 2.051 178.399 176.300 0.080 0.000 0.964 310 D CA 0.681 54.766 54.000 0.142 0.000 0.846 310 D CB -0.546 40.329 40.800 0.125 0.000 0.962 310 D HN 0.193 nan 8.370 nan 0.000 0.490 311 F N 2.420 122.353 119.950 -0.029 0.000 2.095 311 F HA -0.184 4.345 4.527 0.003 0.000 0.298 311 F C 2.160 177.875 175.800 -0.143 0.000 1.104 311 F CA 1.297 59.237 58.000 -0.101 0.000 1.232 311 F CB -0.362 38.559 39.000 -0.132 0.000 0.987 311 F HN -0.061 nan 8.300 nan 0.000 0.475 312 I N -2.396 118.083 120.570 -0.151 0.000 2.830 312 I HA -0.090 4.082 4.170 0.003 0.000 0.263 312 I C 0.651 176.603 176.117 -0.276 0.000 1.230 312 I CA 1.327 62.460 61.300 -0.279 0.000 1.480 312 I CB -0.655 37.241 38.000 -0.173 0.000 1.095 312 I HN -0.041 nan 8.210 nan 0.000 0.455 313 D N 0.905 121.186 120.400 -0.198 0.000 2.342 313 D HA 0.145 4.787 4.640 0.003 0.000 0.221 313 D C 1.692 177.858 176.300 -0.224 0.000 1.101 313 D CA 0.084 53.981 54.000 -0.172 0.000 0.837 313 D CB 0.390 41.137 40.800 -0.088 0.000 0.938 313 D HN 0.278 nan 8.370 nan 0.000 0.508 314 I N 0.715 121.100 120.570 -0.309 0.000 2.530 314 I HA -0.189 3.983 4.170 0.003 0.000 0.257 314 I C 1.639 177.582 176.117 -0.290 0.000 1.179 314 I CA 1.290 62.403 61.300 -0.312 0.000 1.440 314 I CB 0.085 37.822 38.000 -0.439 0.000 1.087 314 I HN -0.113 nan 8.210 nan 0.000 0.440 315 R N -0.361 119.964 120.500 -0.292 0.000 2.468 315 R HA 0.169 4.510 4.340 0.003 0.000 0.280 315 R C 0.261 176.454 176.300 -0.178 0.000 0.963 315 R CA -0.189 55.759 56.100 -0.253 0.000 1.083 315 R CB 0.239 30.367 30.300 -0.288 0.000 1.200 315 R HN 0.195 nan 8.270 nan 0.000 0.541 316 K N 2.041 122.325 120.400 -0.193 0.000 2.350 316 K HA 0.004 4.326 4.320 0.003 0.000 0.279 316 K C 0.505 176.990 176.600 -0.192 0.000 1.027 316 K CA 0.016 56.185 56.287 -0.198 0.000 0.969 316 K CB 0.505 32.754 32.500 -0.419 0.000 0.954 316 K HN 0.093 nan 8.250 nan 0.000 0.474 317 N N 2.263 120.946 118.700 -0.028 0.000 2.346 317 N HA -0.062 4.680 4.740 0.003 0.000 0.225 317 N C 0.111 175.659 175.510 0.063 0.000 1.144 317 N CA 0.016 53.068 53.050 0.004 0.000 0.837 317 N CB 0.056 38.568 38.487 0.042 0.000 1.069 317 N HN 0.669 nan 8.380 nan 0.000 0.487 318 H N -3.992 115.061 119.070 -0.028 0.000 3.394 318 H HA 0.344 4.902 4.556 0.003 0.000 0.256 318 H C 0.372 175.691 175.328 -0.015 0.000 1.180 318 H CA -0.382 55.655 56.048 -0.018 0.000 1.064 318 H CB -0.466 29.288 29.762 -0.012 0.000 1.854 318 H HN 0.106 nan 8.280 nan 0.000 0.731 319 G N 1.440 110.026 108.800 -0.357 0.000 2.529 319 G HA2 -0.012 3.950 3.960 0.003 0.000 0.277 319 G HA3 -0.012 3.950 3.960 0.003 0.000 0.277 319 G C 0.552 175.399 174.900 -0.089 0.000 1.383 319 G CA -0.546 44.412 45.100 -0.236 0.000 1.050 319 G HN 0.266 nan 8.290 nan 0.000 0.526 320 K N -0.046 120.317 120.400 -0.062 0.000 2.668 320 K HA 0.061 4.382 4.320 0.003 0.000 0.204 320 K C 0.988 177.570 176.600 -0.031 0.000 1.016 320 K CA 0.878 57.148 56.287 -0.029 0.000 1.131 320 K CB -0.362 32.129 32.500 -0.016 0.000 0.891 320 K HN 0.692 nan 8.250 nan 0.000 0.499 321 E N -0.885 119.287 120.200 -0.047 0.000 4.609 321 E HA -0.348 4.004 4.350 0.003 0.000 0.178 321 E C 0.392 176.966 176.600 -0.043 0.000 1.274 321 E CA 2.178 58.553 56.400 -0.042 0.000 2.344 321 E CB -0.966 28.719 29.700 -0.025 0.000 1.833 321 E HN 0.706 nan 8.360 nan 0.000 0.404 322 E N 0.963 121.144 120.200 -0.031 0.000 2.403 322 E HA 0.130 4.482 4.350 0.003 0.000 0.188 322 E C 0.818 177.403 176.600 -0.025 0.000 1.056 322 E CA 0.084 56.468 56.400 -0.026 0.000 0.892 322 E CB 0.398 30.088 29.700 -0.016 0.000 1.049 322 E HN 0.295 nan 8.360 nan 0.000 0.465 323 I N 1.169 121.718 120.570 -0.036 0.000 4.154 323 I HA 0.200 4.372 4.170 0.003 0.000 0.334 323 I C 0.253 176.333 176.117 -0.062 0.000 1.371 323 I CA -0.118 61.163 61.300 -0.032 0.000 1.110 323 I CB -0.235 37.751 38.000 -0.023 0.000 1.085 323 I HN 0.081 nan 8.210 nan 0.000 0.398 324 R N 1.413 121.865 120.500 -0.081 0.000 2.643 324 R HA 0.751 5.093 4.340 0.003 0.000 0.272 324 R C -0.169 176.063 176.300 -0.113 0.000 0.995 324 R CA -0.511 55.518 56.100 -0.117 0.000 1.032 324 R CB 1.756 31.977 30.300 -0.131 0.000 1.126 324 R HN -0.019 nan 8.270 nan 0.000 0.505 325 A N 1.648 124.377 122.820 -0.152 0.000 3.216 325 A HA 0.193 4.515 4.320 0.003 0.000 0.321 325 A C 1.119 178.582 177.584 -0.200 0.000 1.042 325 A CA -0.550 51.397 52.037 -0.150 0.000 0.838 325 A CB 0.155 19.069 19.000 -0.144 0.000 1.136 325 A HN 0.865 nan 8.150 nan 0.000 0.483 326 R N 0.724 121.121 120.500 -0.172 0.000 2.204 326 R HA -0.187 4.155 4.340 0.003 0.000 0.253 326 R C 0.210 176.373 176.300 -0.228 0.000 1.172 326 R CA 2.302 58.291 56.100 -0.185 0.000 0.994 326 R CB 0.076 30.304 30.300 -0.120 0.000 0.874 326 R HN 0.649 nan 8.270 nan 0.000 0.462 327 D N -0.306 119.977 120.400 -0.194 0.000 2.349 327 D HA 0.085 4.727 4.640 0.003 0.000 0.214 327 D C 0.170 176.350 176.300 -0.199 0.000 1.063 327 D CA 0.243 54.143 54.000 -0.167 0.000 0.847 327 D CB 0.454 41.205 40.800 -0.081 0.000 0.933 327 D HN 0.240 nan 8.370 nan 0.000 0.513 328 L N 0.037 121.085 121.223 -0.292 0.000 2.330 328 L HA 0.465 4.807 4.340 0.003 0.000 0.271 328 L C -0.613 175.962 176.870 -0.492 0.000 1.013 328 L CA -0.964 53.765 54.840 -0.184 0.000 0.816 328 L CB 1.403 43.423 42.059 -0.065 0.000 1.287 328 L HN -0.274 nan 8.230 nan 0.000 0.435 329 F N 2.110 121.999 119.950 -0.101 0.000 2.426 329 F HA 0.423 4.952 4.527 0.003 0.000 0.348 329 F C -2.071 173.446 175.800 -0.471 0.000 1.124 329 F CA -2.133 55.682 58.000 -0.309 0.000 1.008 329 F CB 1.511 40.377 39.000 -0.224 0.000 1.139 329 F HN 0.175 nan 8.300 nan 0.000 0.452 330 P HA 0.437 nan 4.420 nan 0.000 0.290 330 P C -1.398 175.533 177.300 -0.615 0.000 1.276 330 P CA -0.309 62.375 63.100 -0.694 0.000 0.808 330 P CB 1.910 32.972 31.700 -1.064 0.000 0.966 331 A N 4.414 127.011 122.820 -0.373 0.000 2.398 331 A HA 0.608 4.930 4.320 0.003 0.000 0.301 331 A C -0.648 176.824 177.584 -0.186 0.000 1.041 331 A CA -0.820 50.958 52.037 -0.433 0.000 0.711 331 A CB 0.974 19.387 19.000 -0.979 0.000 1.240 331 A HN 0.465 nan 8.150 nan 0.000 0.420 332 L N 2.266 123.449 121.223 -0.067 0.000 2.292 332 L HA 0.318 4.659 4.340 0.003 0.000 0.284 332 L C -0.283 176.693 176.870 0.176 0.000 1.065 332 L CA -0.263 54.585 54.840 0.013 0.000 0.806 332 L CB 1.229 43.226 42.059 -0.103 0.000 1.175 332 L HN 0.822 nan 8.230 nan 0.000 0.431 333 W N 6.637 127.928 121.300 -0.015 0.000 2.253 333 W HA 0.439 5.101 4.660 0.004 0.000 0.348 333 W C -0.968 175.501 176.519 -0.084 0.000 0.920 333 W CA -0.712 56.656 57.345 0.039 0.000 1.518 333 W CB 0.777 30.323 29.460 0.143 0.000 1.446 333 W HN 0.413 nan 8.180 nan 0.000 0.361 334 I N 8.271 128.732 120.570 -0.181 0.000 2.342 334 I HA 0.194 4.366 4.170 0.003 0.000 0.291 334 I C -1.625 174.400 176.117 -0.154 0.000 1.010 334 I CA -1.971 59.233 61.300 -0.161 0.000 1.308 334 I CB 1.326 39.273 38.000 -0.088 0.000 1.400 334 I HN 0.089 nan 8.210 nan 0.000 0.488 335 P HA 0.152 nan 4.420 nan 0.000 0.281 335 P C -0.406 176.882 177.300 -0.020 0.000 1.249 335 P CA -0.360 62.639 63.100 -0.168 0.000 0.810 335 P CB 1.427 32.912 31.700 -0.359 0.000 1.008 336 D N 1.043 121.479 120.400 0.060 0.000 2.182 336 D HA -0.125 4.517 4.640 0.003 0.000 0.201 336 D C 1.878 178.210 176.300 0.055 0.000 0.986 336 D CA 0.958 55.056 54.000 0.163 0.000 0.847 336 D CB -0.330 40.687 40.800 0.360 0.000 0.942 336 D HN 0.328 nan 8.370 nan 0.000 0.467 337 L N -0.009 121.307 121.223 0.155 0.000 2.043 337 L HA -0.239 4.103 4.340 0.003 0.000 0.212 337 L C 2.327 179.253 176.870 0.094 0.000 1.075 337 L CA 1.185 56.153 54.840 0.214 0.000 0.752 337 L CB -0.266 42.033 42.059 0.401 0.000 0.891 337 L HN -0.003 nan 8.230 nan 0.000 0.432 338 F N 0.159 119.958 119.950 -0.252 0.000 2.102 338 F HA -0.286 4.243 4.527 0.004 0.000 0.298 338 F C 2.474 177.924 175.800 -0.583 0.000 1.105 338 F CA 1.571 59.116 58.000 -0.758 0.000 1.239 338 F CB -0.227 38.211 39.000 -0.935 0.000 0.991 338 F HN 0.016 nan 8.300 nan 0.000 0.474 339 M N 0.397 119.500 119.600 -0.828 0.000 2.159 339 M HA -0.196 4.286 4.480 0.003 0.000 0.263 339 M C 2.040 177.909 176.300 -0.717 0.000 1.063 339 M CA 1.569 56.139 55.300 -1.216 0.000 1.110 339 M CB -1.270 29.965 32.600 -2.275 0.000 1.374 339 M HN 0.181 nan 8.290 nan 0.000 0.411 340 K N -0.570 119.589 120.400 -0.402 0.000 2.057 340 K HA -0.079 4.242 4.320 0.003 0.000 0.206 340 K C 2.171 178.710 176.600 -0.102 0.000 1.050 340 K CA 0.756 57.000 56.287 -0.070 0.000 0.935 340 K CB -0.071 32.484 32.500 0.092 0.000 0.715 340 K HN 0.179 nan 8.250 nan 0.000 0.439 341 R N 0.776 121.199 120.500 -0.128 0.000 2.081 341 R HA -0.077 4.265 4.340 0.003 0.000 0.235 341 R C 2.336 178.524 176.300 -0.187 0.000 1.131 341 R CA 0.899 56.967 56.100 -0.054 0.000 0.960 341 R CB -0.962 29.413 30.300 0.125 0.000 0.856 341 R HN 0.069 nan 8.270 nan 0.000 0.436 342 V N 1.227 120.873 119.914 -0.446 0.000 2.261 342 V HA -0.234 3.888 4.120 0.003 0.000 0.246 342 V C 2.463 178.318 176.094 -0.399 0.000 1.047 342 V CA 2.057 64.049 62.300 -0.513 0.000 1.015 342 V CB -0.524 30.748 31.823 -0.917 0.000 0.642 342 V HN 0.397 nan 8.190 nan 0.000 0.446 343 E N 0.077 120.067 120.200 -0.351 0.000 2.160 343 E HA -0.265 4.086 4.350 0.003 0.000 0.195 343 E C 1.966 178.442 176.600 -0.207 0.000 0.991 343 E CA 1.526 57.710 56.400 -0.361 0.000 0.810 343 E CB -0.051 29.553 29.700 -0.161 0.000 0.742 343 E HN 0.703 nan 8.360 nan 0.000 0.466 344 E N 0.219 120.343 120.200 -0.127 0.000 2.489 344 E HA -0.020 4.332 4.350 0.003 0.000 0.193 344 E C 0.131 176.698 176.600 -0.056 0.000 1.057 344 E CA 0.055 56.417 56.400 -0.063 0.000 0.866 344 E CB -0.073 29.619 29.700 -0.013 0.000 0.916 344 E HN 0.314 nan 8.360 nan 0.000 0.500 345 N N -0.104 118.543 118.700 -0.089 0.000 2.725 345 N HA -0.170 4.572 4.740 0.003 0.000 0.249 345 N C 0.216 175.731 175.510 0.007 0.000 1.103 345 N CA 0.040 53.061 53.050 -0.048 0.000 0.707 345 N CB -0.769 37.695 38.487 -0.038 0.000 1.043 345 N HN 0.266 nan 8.380 nan 0.000 0.553 346 G N -0.551 108.263 108.800 0.024 0.000 2.630 346 G HA2 0.515 4.477 3.960 0.003 0.000 0.223 346 G HA3 0.515 4.477 3.960 0.003 0.000 0.223 346 G C 0.161 175.144 174.900 0.139 0.000 1.434 346 G CA 0.476 45.623 45.100 0.078 0.000 1.057 346 G HN 0.421 nan 8.290 nan 0.000 0.570 347 T N -3.165 111.503 114.554 0.190 0.000 2.944 347 T HA 0.560 4.912 4.350 0.003 0.000 0.284 347 T C -0.966 174.003 174.700 0.448 0.000 1.010 347 T CA -0.756 61.500 62.100 0.259 0.000 1.025 347 T CB 2.077 71.057 68.868 0.186 0.000 1.079 347 T HN 0.623 nan 8.240 nan 0.000 0.516 348 W N 0.938 122.370 121.300 0.219 0.000 3.259 348 W HA 0.406 5.067 4.660 0.001 0.000 0.331 348 W C -1.700 174.967 176.519 0.248 0.000 1.144 348 W CA -0.802 56.735 57.345 0.321 0.000 1.227 348 W CB 2.339 32.041 29.460 0.404 0.000 1.371 348 W HN 0.789 nan 8.180 nan 0.000 0.491 349 T N 5.967 120.292 114.554 -0.381 0.000 2.794 349 T HA 0.462 4.814 4.350 0.003 0.000 0.280 349 T C -0.085 174.164 174.700 -0.751 0.000 0.987 349 T CA -0.530 61.226 62.100 -0.573 0.000 0.993 349 T CB 1.428 69.805 68.868 -0.818 0.000 0.939 349 T HN 0.230 nan 8.240 nan 0.000 0.449 350 L N 4.008 124.951 121.223 -0.466 0.000 2.265 350 L HA 0.515 4.857 4.340 0.003 0.000 0.288 350 L C -0.719 175.945 176.870 -0.343 0.000 1.058 350 L CA -0.503 54.219 54.840 -0.197 0.000 0.809 350 L CB 0.179 42.267 42.059 0.048 0.000 1.179 350 L HN 0.573 nan 8.230 nan 0.000 0.429 351 F N 0.739 120.766 119.950 0.128 0.000 2.538 351 F HA 0.367 4.896 4.527 0.003 0.000 0.325 351 F C 0.601 176.425 175.800 0.040 0.000 1.066 351 F CA -0.654 57.360 58.000 0.023 0.000 0.946 351 F CB 2.134 41.069 39.000 -0.108 0.000 1.199 351 F HN 0.323 nan 8.300 nan 0.000 0.473 352 S N 3.592 119.394 115.700 0.171 0.000 2.499 352 S HA 0.278 4.750 4.470 0.003 0.000 0.279 352 S C -1.394 173.264 174.600 0.098 0.000 1.219 352 S CA -1.796 56.422 58.200 0.031 0.000 1.062 352 S CB 1.075 64.291 63.200 0.026 0.000 0.978 352 S HN 0.416 nan 8.310 nan 0.000 0.489 353 P HA -0.156 nan 4.420 nan 0.000 0.217 353 P C 1.396 178.723 177.300 0.046 0.000 1.148 353 P CA 1.671 64.889 63.100 0.196 0.000 0.828 353 P CB -0.560 31.353 31.700 0.356 0.000 0.783 354 T N -2.405 112.177 114.554 0.048 0.000 2.951 354 T HA -0.060 4.292 4.350 0.003 0.000 0.268 354 T C 1.836 176.496 174.700 -0.068 0.000 1.073 354 T CA 1.395 63.503 62.100 0.013 0.000 1.134 354 T CB -1.042 67.860 68.868 0.056 0.000 0.884 354 T HN 0.258 nan 8.240 nan 0.000 0.479 355 S N 0.452 116.091 115.700 -0.101 0.000 2.556 355 S HA 0.671 5.143 4.470 0.003 0.000 0.216 355 S C 0.790 175.123 174.600 -0.445 0.000 0.970 355 S CA -0.232 57.857 58.200 -0.185 0.000 0.912 355 S CB 0.131 63.277 63.200 -0.091 0.000 0.790 355 S HN 0.794 nan 8.310 nan 0.000 0.504 356 A N 1.609 124.099 122.820 -0.550 0.000 3.399 356 A HA 0.613 4.935 4.320 0.003 0.000 0.262 356 A C -3.241 173.994 177.584 -0.581 0.000 1.145 356 A CA -1.043 50.306 52.037 -1.147 0.000 0.916 356 A CB 0.309 18.438 19.000 -1.453 0.000 1.360 356 A HN 0.296 nan 8.150 nan 0.000 0.628 357 P HA 0.382 nan 4.420 nan 0.000 0.269 357 P C 1.262 178.616 177.300 0.089 0.000 1.215 357 P CA 1.974 65.053 63.100 -0.035 0.000 0.780 357 P CB 0.893 32.586 31.700 -0.011 0.000 0.898 358 G N 0.771 109.626 108.800 0.092 0.000 2.199 358 G HA2 -0.297 3.664 3.960 0.003 0.000 0.254 358 G HA3 -0.297 3.664 3.960 0.003 0.000 0.254 358 G C 0.789 175.761 174.900 0.120 0.000 0.982 358 G CA 0.104 45.266 45.100 0.103 0.000 0.632 358 G HN 0.441 nan 8.290 nan 0.000 0.529 359 L N 2.020 123.284 121.223 0.068 0.000 2.127 359 L HA 0.006 4.348 4.340 0.003 0.000 0.211 359 L C 2.950 180.095 176.870 0.459 0.000 1.089 359 L CA 2.969 57.890 54.840 0.134 0.000 0.757 359 L CB -0.870 40.912 42.059 -0.462 0.000 0.899 359 L HN 0.809 nan 8.230 nan 0.000 0.434 360 S N -2.838 113.125 115.700 0.439 0.000 2.548 360 S HA 0.020 4.491 4.470 0.003 0.000 0.215 360 S C 1.058 175.824 174.600 0.278 0.000 0.976 360 S CA 0.041 58.464 58.200 0.371 0.000 0.908 360 S CB -0.126 63.270 63.200 0.328 0.000 0.781 360 S HN 0.342 nan 8.310 nan 0.000 0.519 361 D N 1.902 122.456 120.400 0.256 0.000 2.336 361 D HA 0.267 4.909 4.640 0.003 0.000 0.228 361 D C 0.540 176.969 176.300 0.214 0.000 1.120 361 D CA 0.157 54.285 54.000 0.214 0.000 0.839 361 D CB 0.295 41.197 40.800 0.170 0.000 0.932 361 D HN 0.629 nan 8.370 nan 0.000 0.509 362 C N -0.827 118.633 119.300 0.268 0.000 3.312 362 C HA 0.811 5.273 4.460 0.003 0.000 0.332 362 C C -1.128 174.073 174.990 0.352 0.000 1.340 362 C CA -1.305 57.862 59.018 0.249 0.000 1.265 362 C CB 0.836 28.657 27.740 0.135 0.000 1.563 362 C HN 0.271 nan 8.230 nan 0.000 0.471 363 Y N -0.031 120.359 120.300 0.151 0.000 2.728 363 Y HA 0.887 5.439 4.550 0.003 0.000 0.330 363 Y C 0.623 176.592 175.900 0.115 0.000 1.234 363 Y CA 0.051 58.202 58.100 0.086 0.000 1.070 363 Y CB 0.453 38.906 38.460 -0.013 0.000 1.300 363 Y HN 2.467 nan 8.280 nan 0.000 0.467 364 G N 1.172 110.054 108.800 0.137 0.000 2.596 364 G HA2 -0.361 3.601 3.960 0.003 0.000 0.295 364 G HA3 -0.361 3.601 3.960 0.003 0.000 0.295 364 G C 0.217 175.146 174.900 0.049 0.000 1.240 364 G CA 0.922 46.045 45.100 0.038 0.000 0.985 364 G HN 0.819 nan 8.290 nan 0.000 0.555 365 D N 0.346 120.722 120.400 -0.040 0.000 2.123 365 D HA -0.048 4.594 4.640 0.003 0.000 0.196 365 D C 2.144 178.425 176.300 -0.031 0.000 0.992 365 D CA 1.596 55.584 54.000 -0.021 0.000 0.833 365 D CB -0.373 40.395 40.800 -0.054 0.000 0.954 365 D HN 0.665 nan 8.370 nan 0.000 0.455 366 E N -0.510 119.639 120.200 -0.085 0.000 2.110 366 E HA -0.192 4.160 4.350 0.003 0.000 0.193 366 E C 1.999 178.575 176.600 -0.040 0.000 0.988 366 E CA 0.574 56.922 56.400 -0.086 0.000 0.804 366 E CB -0.184 29.441 29.700 -0.125 0.000 0.745 366 E HN 0.283 nan 8.360 nan 0.000 0.458 367 F N 1.704 121.600 119.950 -0.090 0.000 2.113 367 F HA -0.097 4.431 4.527 0.003 0.000 0.297 367 F C 1.924 177.724 175.800 0.000 0.000 1.103 367 F CA 1.661 59.644 58.000 -0.029 0.000 1.248 367 F CB -0.029 38.999 39.000 0.046 0.000 0.999 367 F HN -0.014 nan 8.300 nan 0.000 0.475 368 E N 0.537 120.771 120.200 0.057 0.000 2.110 368 E HA -0.202 4.150 4.350 0.003 0.000 0.193 368 E C 2.372 178.911 176.600 -0.101 0.000 0.988 368 E CA 1.045 57.441 56.400 -0.007 0.000 0.804 368 E CB -0.446 29.332 29.700 0.130 0.000 0.745 368 E HN 0.535 nan 8.360 nan 0.000 0.458 369 A N 1.237 123.989 122.820 -0.115 0.000 1.898 369 A HA -0.141 4.180 4.320 0.003 0.000 0.216 369 A C 2.164 179.592 177.584 -0.260 0.000 1.181 369 A CA 0.930 52.882 52.037 -0.143 0.000 0.620 369 A CB -0.446 18.482 19.000 -0.121 0.000 0.819 369 A HN 0.207 nan 8.150 nan 0.000 0.442 370 L N -1.812 119.191 121.223 -0.366 0.000 2.093 370 L HA -0.074 4.268 4.340 0.003 0.000 0.208 370 L C 2.235 178.631 176.870 -0.789 0.000 1.085 370 L CA 2.049 56.521 54.840 -0.613 0.000 0.755 370 L CB -0.836 40.874 42.059 -0.580 0.000 0.904 370 L HN 0.522 nan 8.230 nan 0.000 0.435 371 Y N -0.060 119.762 120.300 -0.798 0.000 2.133 371 Y HA -0.248 4.303 4.550 0.002 0.000 0.287 371 Y C 2.458 178.164 175.900 -0.324 0.000 1.134 371 Y CA 2.435 60.123 58.100 -0.686 0.000 1.133 371 Y CB -0.616 37.312 38.460 -0.887 0.000 0.987 371 Y HN 0.166 nan 8.280 nan 0.000 0.502 372 T N 1.203 115.727 114.554 -0.050 0.000 2.699 372 T HA -0.268 4.084 4.350 0.003 0.000 0.268 372 T C 1.975 176.612 174.700 -0.105 0.000 1.036 372 T CA 1.808 63.903 62.100 -0.009 0.000 1.147 372 T CB -0.376 68.505 68.868 0.020 0.000 0.862 372 T HN 0.334 nan 8.240 nan 0.000 0.446 373 R N -0.098 120.286 120.500 -0.194 0.000 2.070 373 R HA -0.097 4.245 4.340 0.003 0.000 0.233 373 R C 2.226 178.461 176.300 -0.109 0.000 1.137 373 R CA 1.570 57.563 56.100 -0.178 0.000 0.945 373 R CB -0.527 29.611 30.300 -0.271 0.000 0.845 373 R HN 0.549 nan 8.270 nan 0.000 0.430 374 Y N 0.297 120.409 120.300 -0.314 0.000 2.207 374 Y HA -0.239 4.313 4.550 0.003 0.000 0.287 374 Y C 2.532 178.352 175.900 -0.133 0.000 1.156 374 Y CA 1.051 58.918 58.100 -0.387 0.000 1.182 374 Y CB -0.010 37.901 38.460 -0.914 0.000 0.979 374 Y HN 0.375 nan 8.280 nan 0.000 0.521 375 E N 0.758 120.993 120.200 0.058 0.000 2.051 375 E HA -0.208 4.144 4.350 0.003 0.000 0.192 375 E C 1.917 178.530 176.600 0.022 0.000 0.991 375 E CA 1.188 57.619 56.400 0.052 0.000 0.799 375 E CB 0.060 29.712 29.700 -0.080 0.000 0.748 375 E HN 0.402 nan 8.360 nan 0.000 0.449 376 K N 0.311 120.713 120.400 0.004 0.000 2.148 376 K HA -0.122 4.199 4.320 0.003 0.000 0.204 376 K C 1.556 178.158 176.600 0.005 0.000 1.050 376 K CA 1.166 57.454 56.287 0.001 0.000 0.942 376 K CB 0.012 32.507 32.500 -0.009 0.000 0.724 376 K HN 0.166 nan 8.250 nan 0.000 0.446 377 E N 0.315 120.523 120.200 0.014 0.000 2.485 377 E HA 0.022 4.374 4.350 0.003 0.000 0.194 377 E C 0.330 176.934 176.600 0.006 0.000 1.098 377 E CA 0.043 56.447 56.400 0.007 0.000 0.878 377 E CB 0.111 29.817 29.700 0.011 0.000 0.939 377 E HN 0.398 nan 8.360 nan 0.000 0.503 378 G N 2.281 111.091 108.800 0.016 0.000 2.371 378 G HA2 -0.353 3.609 3.960 0.003 0.000 0.299 378 G HA3 -0.353 3.609 3.960 0.003 0.000 0.299 378 G C 0.573 175.483 174.900 0.017 0.000 1.014 378 G CA 0.417 45.521 45.100 0.006 0.000 1.097 378 G HN 0.322 nan 8.290 nan 0.000 0.512 379 R N -0.565 119.989 120.500 0.090 0.000 2.300 379 R HA 0.340 4.682 4.340 0.003 0.000 0.199 379 R C 1.669 178.080 176.300 0.184 0.000 0.920 379 R CA 0.729 56.884 56.100 0.091 0.000 1.046 379 R CB 0.513 30.781 30.300 -0.053 0.000 0.984 379 R HN 0.537 nan 8.270 nan 0.000 0.493 380 G N 0.153 108.977 108.800 0.040 0.000 3.135 380 G HA2 0.286 4.248 3.960 0.003 0.000 0.278 380 G HA3 0.286 4.248 3.960 0.003 0.000 0.278 380 G C -1.525 173.226 174.900 -0.249 0.000 1.302 380 G CA -0.571 44.372 45.100 -0.262 0.000 0.880 380 G HN -0.051 nan 8.290 nan 0.000 0.574 381 K N 0.689 120.922 120.400 -0.278 0.000 2.367 381 K HA 0.497 4.818 4.320 0.003 0.000 0.263 381 K C -0.601 175.911 176.600 -0.146 0.000 1.000 381 K CA -0.301 55.898 56.287 -0.146 0.000 0.891 381 K CB 0.938 33.401 32.500 -0.063 0.000 1.117 381 K HN 0.365 nan 8.250 nan 0.000 0.443 382 T N 4.679 119.172 114.554 -0.101 0.000 2.907 382 T HA 0.322 4.674 4.350 0.003 0.000 0.298 382 T C 0.017 174.750 174.700 0.055 0.000 1.017 382 T CA -0.172 61.905 62.100 -0.038 0.000 1.118 382 T CB 0.505 69.362 68.868 -0.019 0.000 0.948 382 T HN 0.626 nan 8.240 nan 0.000 0.531 383 I N 0.603 121.259 120.570 0.144 0.000 3.352 383 I HA 0.440 4.612 4.170 0.003 0.000 0.316 383 I C -1.085 175.183 176.117 0.252 0.000 1.214 383 I CA -1.293 60.127 61.300 0.201 0.000 0.934 383 I CB 2.069 40.240 38.000 0.286 0.000 1.310 383 I HN 0.378 nan 8.210 nan 0.000 0.475 384 K N 2.054 122.600 120.400 0.244 0.000 2.276 384 K HA 0.386 4.708 4.320 0.003 0.000 0.285 384 K C 0.680 177.467 176.600 0.312 0.000 1.062 384 K CA 0.270 56.695 56.287 0.231 0.000 0.918 384 K CB 1.492 34.093 32.500 0.169 0.000 1.055 384 K HN 0.657 nan 8.250 nan 0.000 0.477 385 A N 3.844 126.849 122.820 0.309 0.000 1.915 385 A HA -0.278 4.044 4.320 0.003 0.000 0.220 385 A C 1.815 179.545 177.584 0.244 0.000 1.198 385 A CA 1.616 53.827 52.037 0.290 0.000 0.647 385 A CB -0.354 18.698 19.000 0.087 0.000 0.825 385 A HN 0.851 nan 8.150 nan 0.000 0.456 386 Q N -0.984 118.928 119.800 0.187 0.000 2.364 386 Q HA -0.172 4.170 4.340 0.003 0.000 0.209 386 Q C 2.060 178.285 176.000 0.375 0.000 0.977 386 Q CA 1.402 57.359 55.803 0.257 0.000 0.885 386 Q CB -0.169 28.663 28.738 0.156 0.000 0.941 386 Q HN 0.797 nan 8.270 nan 0.000 0.464 387 K N 1.143 121.755 120.400 0.353 0.000 2.057 387 K HA -0.107 4.215 4.320 0.003 0.000 0.206 387 K C 1.997 178.923 176.600 0.545 0.000 1.050 387 K CA 0.679 57.209 56.287 0.406 0.000 0.935 387 K CB -0.031 32.692 32.500 0.371 0.000 0.715 387 K HN 0.177 nan 8.250 nan 0.000 0.439 388 L N 0.417 121.946 121.223 0.511 0.000 2.056 388 L HA -0.181 4.160 4.340 0.003 0.000 0.207 388 L C 2.281 179.303 176.870 0.252 0.000 1.078 388 L CA 1.256 56.226 54.840 0.217 0.000 0.749 388 L CB -0.471 41.689 42.059 0.169 0.000 0.901 388 L HN 0.567 nan 8.230 nan 0.000 0.433 389 W N -0.102 121.345 121.300 0.245 0.000 2.318 389 W HA -0.352 4.311 4.660 0.005 0.000 0.313 389 W C 2.478 179.106 176.519 0.182 0.000 1.221 389 W CA 1.992 59.455 57.345 0.196 0.000 1.266 389 W CB -0.648 28.875 29.460 0.106 0.000 1.150 389 W HN 0.281 nan 8.180 nan 0.000 0.496 390 Y N 1.613 122.022 120.300 0.183 0.000 2.181 390 Y HA -0.247 4.305 4.550 0.004 0.000 0.288 390 Y C 2.789 178.697 175.900 0.013 0.000 1.146 390 Y CA 2.749 60.904 58.100 0.090 0.000 1.164 390 Y CB -0.744 37.822 38.460 0.177 0.000 0.982 390 Y HN -0.226 nan 8.280 nan 0.000 0.515 391 S N 0.167 115.954 115.700 0.144 0.000 2.402 391 S HA -0.136 4.336 4.470 0.003 0.000 0.229 391 S C 1.891 176.400 174.600 -0.153 0.000 1.021 391 S CA 1.219 59.448 58.200 0.049 0.000 0.974 391 S CB -0.304 63.022 63.200 0.210 0.000 0.800 391 S HN 0.385 nan 8.310 nan 0.000 0.484 392 I N 1.823 122.246 120.570 -0.246 0.000 2.179 392 I HA -0.134 4.038 4.170 0.003 0.000 0.242 392 I C 2.102 178.002 176.117 -0.361 0.000 1.088 392 I CA 1.374 62.468 61.300 -0.343 0.000 1.357 392 I CB -1.452 36.256 38.000 -0.486 0.000 1.051 392 I HN 0.296 nan 8.210 nan 0.000 0.409 393 L N 0.105 121.057 121.223 -0.452 0.000 2.141 393 L HA -0.164 4.178 4.340 0.003 0.000 0.209 393 L C 2.538 179.249 176.870 -0.265 0.000 1.094 393 L CA 1.119 55.754 54.840 -0.342 0.000 0.763 393 L CB -0.582 41.265 42.059 -0.353 0.000 0.908 393 L HN 0.325 nan 8.230 nan 0.000 0.437 394 E N 0.787 120.789 120.200 -0.330 0.000 2.072 394 E HA -0.213 4.138 4.350 0.003 0.000 0.191 394 E C 2.253 178.772 176.600 -0.135 0.000 0.985 394 E CA 1.116 57.366 56.400 -0.250 0.000 0.801 394 E CB 0.069 29.604 29.700 -0.276 0.000 0.750 394 E HN 0.439 nan 8.360 nan 0.000 0.452 395 A N 0.982 123.718 122.820 -0.140 0.000 1.873 395 A HA -0.228 4.094 4.320 0.003 0.000 0.215 395 A C 2.082 179.603 177.584 -0.104 0.000 1.186 395 A CA 1.609 53.578 52.037 -0.113 0.000 0.616 395 A CB -0.504 18.406 19.000 -0.149 0.000 0.823 395 A HN 0.326 nan 8.150 nan 0.000 0.442 396 Q N -1.001 118.730 119.800 -0.116 0.000 2.079 396 Q HA -0.108 4.234 4.340 0.003 0.000 0.200 396 Q C 2.125 178.107 176.000 -0.030 0.000 0.974 396 Q CA 1.778 57.542 55.803 -0.065 0.000 0.840 396 Q CB -0.471 28.242 28.738 -0.043 0.000 0.898 396 Q HN 0.610 nan 8.270 nan 0.000 0.430 397 T N 1.094 115.620 114.554 -0.046 0.000 2.788 397 T HA -0.155 4.197 4.350 0.003 0.000 0.268 397 T C 1.463 176.159 174.700 -0.007 0.000 1.044 397 T CA 1.340 63.427 62.100 -0.022 0.000 1.139 397 T CB -0.066 68.776 68.868 -0.043 0.000 0.867 397 T HN 0.318 nan 8.240 nan 0.000 0.454 398 E N 0.187 120.378 120.200 -0.015 0.000 2.102 398 E HA -0.040 4.312 4.350 0.003 0.000 0.190 398 E C 2.488 179.099 176.600 0.019 0.000 0.971 398 E CA 1.424 57.828 56.400 0.008 0.000 0.821 398 E CB 0.117 29.835 29.700 0.031 0.000 0.777 398 E HN 0.576 nan 8.360 nan 0.000 0.460 399 T N -3.992 110.563 114.554 0.002 0.000 2.990 399 T HA 0.295 4.647 4.350 0.003 0.000 0.250 399 T C 1.501 176.234 174.700 0.056 0.000 1.041 399 T CA 0.591 62.695 62.100 0.006 0.000 1.010 399 T CB 1.045 69.879 68.868 -0.058 0.000 1.003 399 T HN 0.265 nan 8.240 nan 0.000 0.499 400 G N 1.315 110.147 108.800 0.054 0.000 2.195 400 G HA2 -0.185 3.777 3.960 0.003 0.000 0.246 400 G HA3 -0.185 3.777 3.960 0.003 0.000 0.246 400 G C 0.300 175.261 174.900 0.103 0.000 0.984 400 G CA 0.598 45.777 45.100 0.131 0.000 0.633 400 G HN 1.308 nan 8.290 nan 0.000 0.525 401 T N -1.725 112.803 114.554 -0.043 0.000 2.907 401 T HA 0.818 5.170 4.350 0.003 0.000 0.290 401 T C -3.172 171.389 174.700 -0.230 0.000 1.066 401 T CA -1.444 60.518 62.100 -0.229 0.000 1.012 401 T CB 3.580 72.183 68.868 -0.442 0.000 1.184 401 T HN 0.140 nan 8.240 nan 0.000 0.522 402 P HA 0.300 nan 4.420 nan 0.000 0.277 402 P C -0.403 176.763 177.300 -0.223 0.000 1.240 402 P CA -0.626 62.230 63.100 -0.407 0.000 0.798 402 P CB 0.492 31.989 31.700 -0.339 0.000 0.979 403 F N 0.044 119.888 119.950 -0.176 0.000 2.485 403 F HA 0.210 4.739 4.527 0.003 0.000 0.327 403 F C 0.974 176.698 175.800 -0.127 0.000 1.203 403 F CA -0.623 57.301 58.000 -0.126 0.000 1.295 403 F CB 0.367 39.314 39.000 -0.089 0.000 1.191 403 F HN -0.025 nan 8.300 nan 0.000 0.588 404 V N 2.576 122.550 119.914 0.099 0.000 2.443 404 V HA 0.397 4.519 4.120 0.003 0.000 0.293 404 V C -0.643 175.336 176.094 -0.191 0.000 1.021 404 V CA -0.615 61.610 62.300 -0.126 0.000 0.848 404 V CB 1.636 33.314 31.823 -0.241 0.000 0.998 404 V HN 0.477 nan 8.190 nan 0.000 0.424 405 V N 5.126 124.933 119.914 -0.178 0.000 2.531 405 V HA 0.445 4.567 4.120 0.003 0.000 0.301 405 V C -1.070 174.791 176.094 -0.387 0.000 1.034 405 V CA -0.900 61.324 62.300 -0.126 0.000 0.865 405 V CB 2.036 34.059 31.823 0.333 0.000 0.995 405 V HN 0.756 nan 8.190 nan 0.000 0.424 406 Y N 3.687 123.902 120.300 -0.142 0.000 2.486 406 Y HA 0.186 4.738 4.550 0.003 0.000 0.348 406 Y C 1.525 177.059 175.900 -0.609 0.000 1.000 406 Y CA -0.009 57.923 58.100 -0.281 0.000 1.253 406 Y CB 0.842 39.255 38.460 -0.078 0.000 1.140 406 Y HN 0.691 nan 8.280 nan 0.000 0.526 407 K N 1.961 121.857 120.400 -0.841 0.000 2.044 407 K HA -0.264 4.058 4.320 0.003 0.000 0.210 407 K C 0.801 177.035 176.600 -0.611 0.000 1.049 407 K CA 2.352 57.876 56.287 -1.273 0.000 0.927 407 K CB 0.063 31.846 32.500 -1.196 0.000 0.713 407 K HN 0.721 nan 8.250 nan 0.000 0.443 408 D N 0.077 120.289 120.400 -0.313 0.000 2.144 408 D HA -0.103 4.539 4.640 0.003 0.000 0.200 408 D C 1.855 178.038 176.300 -0.196 0.000 0.978 408 D CA 1.277 55.191 54.000 -0.143 0.000 0.833 408 D CB -0.138 40.670 40.800 0.013 0.000 0.961 408 D HN 0.408 nan 8.370 nan 0.000 0.470 409 A N 0.551 123.260 122.820 -0.186 0.000 1.930 409 A HA -0.155 4.167 4.320 0.003 0.000 0.217 409 A C 2.546 179.989 177.584 -0.235 0.000 1.175 409 A CA 1.030 52.929 52.037 -0.229 0.000 0.627 409 A CB -0.877 18.018 19.000 -0.175 0.000 0.815 409 A HN 0.306 nan 8.150 nan 0.000 0.443 410 C N -0.396 118.765 119.300 -0.233 0.000 2.432 410 C HA -0.075 4.387 4.460 0.003 0.000 0.277 410 C C 2.725 177.595 174.990 -0.200 0.000 1.249 410 C CA 1.136 60.055 59.018 -0.165 0.000 1.725 410 C CB -1.351 26.309 27.740 -0.133 0.000 2.028 410 C HN 0.634 nan 8.230 nan 0.000 0.477 411 N N 0.138 118.614 118.700 -0.373 0.000 2.171 411 N HA -0.073 4.669 4.740 0.003 0.000 0.184 411 N C 2.017 177.204 175.510 -0.537 0.000 1.021 411 N CA 0.785 53.480 53.050 -0.591 0.000 0.854 411 N CB -0.442 37.275 38.487 -1.284 0.000 0.994 411 N HN 0.527 nan 8.380 nan 0.000 0.426 412 R N 1.371 121.618 120.500 -0.421 0.000 2.096 412 R HA -0.003 4.339 4.340 0.003 0.000 0.235 412 R C 0.393 176.611 176.300 -0.138 0.000 1.127 412 R CA 1.163 57.187 56.100 -0.127 0.000 0.968 412 R CB 0.178 30.443 30.300 -0.059 0.000 0.861 412 R HN 0.088 nan 8.270 nan 0.000 0.440 413 K N 0.042 120.329 120.400 -0.189 0.000 2.832 413 K HA 0.133 4.455 4.320 0.003 0.000 0.211 413 K C -0.614 175.947 176.600 -0.064 0.000 1.112 413 K CA -0.177 56.020 56.287 -0.149 0.000 1.108 413 K CB 1.273 33.612 32.500 -0.267 0.000 0.899 413 K HN -0.095 nan 8.250 nan 0.000 0.464 414 S N 0.512 116.173 115.700 -0.065 0.000 2.472 414 S HA 0.160 4.632 4.470 0.003 0.000 0.303 414 S C 0.549 175.143 174.600 -0.010 0.000 1.099 414 S CA -0.680 57.504 58.200 -0.027 0.000 1.077 414 S CB 1.163 64.341 63.200 -0.037 0.000 1.031 414 S HN 0.301 nan 8.310 nan 0.000 0.487 415 N N 3.143 121.855 118.700 0.021 0.000 2.512 415 N HA 0.011 4.753 4.740 0.003 0.000 0.183 415 N C 1.118 176.648 175.510 0.034 0.000 1.073 415 N CA 1.016 54.093 53.050 0.045 0.000 0.911 415 N CB 0.070 38.617 38.487 0.100 0.000 0.964 415 N HN 0.682 nan 8.380 nan 0.000 0.447 416 Q N -0.383 119.414 119.800 -0.005 0.000 2.280 416 Q HA 0.023 4.365 4.340 0.003 0.000 0.202 416 Q C 1.114 177.066 176.000 -0.080 0.000 0.903 416 Q CA -0.052 55.722 55.803 -0.050 0.000 0.948 416 Q CB 0.268 28.959 28.738 -0.077 0.000 1.058 416 Q HN 0.548 nan 8.270 nan 0.000 0.493 417 K N 0.763 121.134 120.400 -0.048 0.000 2.360 417 K HA -0.140 4.182 4.320 0.003 0.000 0.201 417 K C 1.275 177.846 176.600 -0.049 0.000 1.046 417 K CA 1.485 57.748 56.287 -0.040 0.000 0.945 417 K CB -0.083 32.412 32.500 -0.008 0.000 0.750 417 K HN 0.130 nan 8.250 nan 0.000 0.464 418 N N 1.688 120.347 118.700 -0.068 0.000 2.494 418 N HA -0.110 4.631 4.740 0.003 0.000 0.182 418 N C 1.557 176.982 175.510 -0.142 0.000 1.076 418 N CA 0.674 53.679 53.050 -0.076 0.000 0.908 418 N CB -0.244 38.206 38.487 -0.061 0.000 0.967 418 N HN 0.322 nan 8.380 nan 0.000 0.449 419 L N -0.729 120.336 121.223 -0.263 0.000 2.179 419 L HA 0.219 4.561 4.340 0.003 0.000 0.208 419 L C 1.415 177.874 176.870 -0.684 0.000 1.096 419 L CA 0.793 55.314 54.840 -0.532 0.000 0.779 419 L CB -0.519 41.026 42.059 -0.857 0.000 0.922 419 L HN 0.451 nan 8.230 nan 0.000 0.443 420 G N -1.078 107.471 108.800 -0.418 0.000 2.320 420 G HA2 0.026 3.988 3.960 0.003 0.000 0.274 420 G HA3 0.026 3.988 3.960 0.003 0.000 0.274 420 G C -1.387 173.576 174.900 0.106 0.000 1.324 420 G CA -0.765 44.262 45.100 -0.123 0.000 0.957 420 G HN -0.281 nan 8.290 nan 0.000 0.481 421 V N 1.077 121.157 119.914 0.278 0.000 2.488 421 V HA 0.383 4.505 4.120 0.003 0.000 0.277 421 V C 0.860 177.123 176.094 0.281 0.000 1.046 421 V CA -0.195 62.265 62.300 0.268 0.000 0.986 421 V CB 1.075 33.068 31.823 0.284 0.000 0.989 421 V HN 0.535 nan 8.190 nan 0.000 0.475 422 I N 5.526 126.218 120.570 0.203 0.000 2.379 422 I HA 0.182 4.354 4.170 0.003 0.000 0.290 422 I C 1.093 177.283 176.117 0.122 0.000 1.063 422 I CA 0.110 61.499 61.300 0.149 0.000 1.351 422 I CB 0.582 38.682 38.000 0.168 0.000 1.410 422 I HN 0.657 nan 8.210 nan 0.000 0.505 423 K N 4.255 124.474 120.400 -0.301 0.000 2.374 423 K HA 0.139 4.461 4.320 0.003 0.000 0.196 423 K C 0.186 175.913 176.600 -1.455 0.000 1.023 423 K CA -0.005 55.883 56.287 -0.664 0.000 1.103 423 K CB 0.254 32.195 32.500 -0.932 0.000 0.848 423 K HN 0.790 nan 8.250 nan 0.000 0.528 424 S N -2.154 112.588 115.700 -1.597 0.000 2.656 424 S HA 0.324 4.796 4.470 0.003 0.000 0.265 424 S C -0.815 172.952 174.600 -1.388 0.000 1.132 424 S CA -0.912 56.096 58.200 -1.987 0.000 0.819 424 S CB 1.499 63.993 63.200 -1.177 0.000 1.119 424 S HN -0.054 nan 8.310 nan 0.000 0.476 425 S N 0.271 115.039 115.700 -1.553 0.000 2.894 425 S HA 0.711 5.183 4.470 0.003 0.000 0.298 425 S C -0.721 173.535 174.600 -0.573 0.000 1.054 425 S CA -0.289 57.535 58.200 -0.626 0.000 0.903 425 S CB 0.562 63.728 63.200 -0.056 0.000 1.356 425 S HN 1.085 nan 8.310 nan 0.000 0.626 426 N N 0.268 118.902 118.700 -0.109 0.000 2.906 426 N HA 0.223 4.965 4.740 0.003 0.000 0.327 426 N C 0.814 176.461 175.510 0.229 0.000 1.344 426 N CA -0.607 52.460 53.050 0.027 0.000 0.823 426 N CB -0.255 38.217 38.487 -0.025 0.000 1.351 426 N HN 0.489 nan 8.380 nan 0.000 0.604 427 L N 0.191 121.507 121.223 0.156 0.000 2.079 427 L HA 0.010 4.352 4.340 0.003 0.000 0.210 427 L C 1.388 178.305 176.870 0.078 0.000 1.081 427 L CA 1.732 56.678 54.840 0.177 0.000 0.752 427 L CB -0.577 41.555 42.059 0.122 0.000 0.896 427 L HN 0.697 nan 8.230 nan 0.000 0.433 428 C N -1.257 117.981 119.300 -0.103 0.000 2.780 428 C HA 0.264 4.726 4.460 0.003 0.000 0.287 428 C C 1.312 175.858 174.990 -0.741 0.000 1.288 428 C CA -0.372 58.328 59.018 -0.531 0.000 1.713 428 C CB -2.131 25.380 27.740 -0.383 0.000 1.955 428 C HN 0.747 nan 8.230 nan 0.000 0.613 429 C N 2.559 121.694 119.300 -0.274 0.000 4.356 429 C HA -0.144 4.318 4.460 0.003 0.000 0.296 429 C C 1.846 176.770 174.990 -0.111 0.000 1.424 429 C CA 1.510 60.457 59.018 -0.120 0.000 2.000 429 C CB -2.606 25.031 27.740 -0.171 0.000 1.262 429 C HN 0.829 nan 8.230 nan 0.000 0.789 430 E N -0.410 119.735 120.200 -0.091 0.000 2.421 430 E HA 0.136 4.488 4.350 0.003 0.000 0.209 430 E C 0.474 177.081 176.600 0.011 0.000 0.871 430 E CA 0.250 56.639 56.400 -0.019 0.000 1.064 430 E CB 0.160 29.860 29.700 -0.001 0.000 1.075 430 E HN 0.597 nan 8.360 nan 0.000 0.513 431 I N 2.865 123.427 120.570 -0.012 0.000 2.395 431 I HA 0.189 4.360 4.170 0.003 0.000 0.289 431 I C -0.183 175.927 176.117 -0.013 0.000 1.023 431 I CA -0.674 60.616 61.300 -0.016 0.000 1.350 431 I CB 1.479 39.452 38.000 -0.045 0.000 1.409 431 I HN -0.127 nan 8.210 nan 0.000 0.507 432 V N 6.922 126.842 119.914 0.009 0.000 2.380 432 V HA 0.367 4.489 4.120 0.003 0.000 0.268 432 V C -0.138 175.965 176.094 0.014 0.000 1.008 432 V CA -0.522 61.798 62.300 0.033 0.000 0.823 432 V CB 0.850 32.722 31.823 0.082 0.000 1.053 432 V HN 0.734 nan 8.190 nan 0.000 0.446 433 E N 1.536 121.725 120.200 -0.018 0.000 2.343 433 E HA 0.477 4.829 4.350 0.003 0.000 0.270 433 E C -1.455 175.149 176.600 0.007 0.000 0.895 433 E CA -1.022 55.378 56.400 0.000 0.000 0.767 433 E CB 2.885 32.581 29.700 -0.007 0.000 1.248 433 E HN 0.529 nan 8.360 nan 0.000 0.440 434 Y N 1.884 122.127 120.300 -0.095 0.000 2.411 434 Y HA 0.229 4.781 4.550 0.003 0.000 0.333 434 Y C -0.334 175.541 175.900 -0.041 0.000 1.186 434 Y CA 0.171 58.218 58.100 -0.089 0.000 1.381 434 Y CB 0.604 38.979 38.460 -0.141 0.000 1.273 434 Y HN 0.460 nan 8.280 nan 0.000 0.546 435 S N 3.717 118.959 115.700 -0.764 0.000 2.588 435 S HA 0.988 5.460 4.470 0.003 0.000 0.275 435 S C -1.147 173.054 174.600 -0.667 0.000 1.130 435 S CA -0.394 57.504 58.200 -0.503 0.000 0.855 435 S CB 1.704 64.807 63.200 -0.162 0.000 1.116 435 S HN 1.278 nan 8.310 nan 0.000 0.472 436 A N 0.791 123.426 122.820 -0.309 0.000 2.581 436 A HA 0.874 5.196 4.320 0.003 0.000 0.290 436 A C -2.781 174.775 177.584 -0.046 0.000 1.119 436 A CA -1.509 50.437 52.037 -0.151 0.000 0.670 436 A CB 0.026 18.985 19.000 -0.069 0.000 1.280 436 A HN 0.514 nan 8.150 nan 0.000 0.425 437 P HA -0.155 nan 4.420 nan 0.000 0.216 437 P C 0.423 177.729 177.300 0.010 0.000 1.150 437 P CA 2.029 65.132 63.100 0.005 0.000 0.843 437 P CB 0.122 31.841 31.700 0.031 0.000 0.787 438 D N -1.938 118.479 120.400 0.029 0.000 2.363 438 D HA 0.037 4.679 4.640 0.003 0.000 0.214 438 D C 0.055 176.376 176.300 0.035 0.000 1.093 438 D CA 0.171 54.190 54.000 0.032 0.000 0.837 438 D CB -0.113 40.715 40.800 0.047 0.000 0.948 438 D HN 0.157 nan 8.370 nan 0.000 0.507 439 E N -0.255 119.963 120.200 0.029 0.000 2.281 439 E HA 0.284 4.636 4.350 0.003 0.000 0.266 439 E C -1.257 175.347 176.600 0.007 0.000 0.893 439 E CA -0.435 55.992 56.400 0.045 0.000 0.798 439 E CB 1.877 31.656 29.700 0.131 0.000 1.245 439 E HN -0.148 nan 8.360 nan 0.000 0.410 440 T N 2.034 116.606 114.554 0.030 0.000 2.821 440 T HA 0.405 4.757 4.350 0.003 0.000 0.307 440 T C -0.039 174.719 174.700 0.097 0.000 1.034 440 T CA -0.429 61.698 62.100 0.045 0.000 0.953 440 T CB 0.889 69.796 68.868 0.065 0.000 0.968 440 T HN 0.520 nan 8.240 nan 0.000 0.462 441 A N 3.745 126.599 122.820 0.056 0.000 2.498 441 A HA 0.512 4.834 4.320 0.003 0.000 0.239 441 A C 0.163 177.771 177.584 0.040 0.000 1.068 441 A CA -0.217 51.853 52.037 0.054 0.000 0.766 441 A CB 0.152 19.156 19.000 0.007 0.000 1.003 441 A HN 0.669 nan 8.150 nan 0.000 0.497 442 V N 1.051 120.965 119.914 -0.000 0.000 2.628 442 V HA 0.338 4.460 4.120 0.003 0.000 0.306 442 V C -0.208 175.789 176.094 -0.162 0.000 1.045 442 V CA -0.788 61.422 62.300 -0.151 0.000 0.905 442 V CB 1.512 33.320 31.823 -0.025 0.000 0.997 442 V HN 0.968 nan 8.190 nan 0.000 0.436 443 C N 3.911 123.043 119.300 -0.279 0.000 2.246 443 C HA 0.438 4.900 4.460 0.003 0.000 0.329 443 C C 0.313 175.224 174.990 -0.131 0.000 1.221 443 C CA -0.967 57.951 59.018 -0.167 0.000 1.697 443 C CB -1.097 26.546 27.740 -0.163 0.000 2.312 443 C HN 0.800 nan 8.230 nan 0.000 0.509 444 N N 3.777 122.443 118.700 -0.057 0.000 2.609 444 N HA 0.440 5.182 4.740 0.003 0.000 0.234 444 N C -0.927 174.588 175.510 0.008 0.000 1.001 444 N CA -0.374 52.666 53.050 -0.016 0.000 0.926 444 N CB 1.389 39.883 38.487 0.011 0.000 1.130 444 N HN 0.384 nan 8.380 nan 0.000 0.510 445 L N 1.433 122.666 121.223 0.017 0.000 2.334 445 L HA 0.859 5.201 4.340 0.003 0.000 0.272 445 L C 0.227 177.114 176.870 0.028 0.000 1.020 445 L CA -0.916 53.937 54.840 0.022 0.000 0.812 445 L CB 1.503 43.571 42.059 0.016 0.000 1.264 445 L HN 0.549 nan 8.230 nan 0.000 0.439 446 A N 0.584 123.389 122.820 -0.026 0.000 2.594 446 A HA 0.749 5.071 4.320 0.003 0.000 0.296 446 A C -1.115 176.440 177.584 -0.048 0.000 1.061 446 A CA -0.374 51.592 52.037 -0.118 0.000 0.689 446 A CB 1.589 20.370 19.000 -0.365 0.000 1.280 446 A HN 0.678 nan 8.150 nan 0.000 0.406 447 S N 0.465 116.165 115.700 -0.000 0.000 2.521 447 S HA 0.745 5.217 4.470 0.003 0.000 0.295 447 S C -0.640 174.021 174.600 0.102 0.000 1.098 447 S CA -0.697 57.534 58.200 0.052 0.000 0.999 447 S CB 1.443 64.689 63.200 0.077 0.000 1.034 447 S HN 1.219 nan 8.310 nan 0.000 0.483 448 V N 2.251 122.215 119.914 0.084 0.000 2.546 448 V HA 0.611 4.732 4.120 0.003 0.000 0.284 448 V C 0.755 176.942 176.094 0.155 0.000 1.050 448 V CA -0.456 61.938 62.300 0.156 0.000 0.981 448 V CB 1.197 33.056 31.823 0.061 0.000 0.990 448 V HN 1.148 nan 8.190 nan 0.000 0.474 449 A N 5.538 128.484 122.820 0.210 0.000 2.671 449 A HA 0.404 4.726 4.320 0.003 0.000 0.306 449 A C 1.146 178.759 177.584 0.048 0.000 1.473 449 A CA -0.291 51.769 52.037 0.037 0.000 1.155 449 A CB -0.326 18.678 19.000 0.008 0.000 1.123 449 A HN 0.922 nan 8.150 nan 0.000 0.545 450 L N 2.279 123.495 121.223 -0.010 0.000 2.081 450 L HA -0.152 4.190 4.340 0.003 0.000 0.212 450 L C -0.548 176.386 176.870 0.106 0.000 1.080 450 L CA 1.569 56.468 54.840 0.098 0.000 0.754 450 L CB -1.325 40.687 42.059 -0.079 0.000 0.893 450 L HN 0.424 nan 8.230 nan 0.000 0.433 451 P HA -0.103 nan 4.420 nan 0.000 0.223 451 P C 1.308 178.451 177.300 -0.261 0.000 1.151 451 P CA 1.267 64.218 63.100 -0.248 0.000 0.787 451 P CB 0.009 31.417 31.700 -0.487 0.000 0.788 452 A N -1.605 120.963 122.820 -0.422 0.000 2.225 452 A HA -0.099 4.223 4.320 0.003 0.000 0.215 452 A C 1.146 178.175 177.584 -0.925 0.000 1.164 452 A CA 1.068 52.651 52.037 -0.756 0.000 0.710 452 A CB -1.534 16.799 19.000 -1.112 0.000 0.780 452 A HN 0.172 nan 8.150 nan 0.000 0.473 453 F N -0.692 119.034 119.950 -0.373 0.000 2.653 453 F HA 0.391 4.920 4.527 0.003 0.000 0.304 453 F C 0.455 175.851 175.800 -0.673 0.000 1.092 453 F CA -0.485 57.178 58.000 -0.562 0.000 1.279 453 F CB 0.022 38.495 39.000 -0.877 0.000 1.044 453 F HN -0.014 nan 8.300 nan 0.000 0.564 454 I N 2.215 122.610 120.570 -0.293 0.000 2.474 454 I HA 0.245 4.417 4.170 0.003 0.000 0.287 454 I C -0.070 175.973 176.117 -0.124 0.000 1.048 454 I CA -0.096 61.118 61.300 -0.143 0.000 1.383 454 I CB 0.954 38.940 38.000 -0.023 0.000 1.412 454 I HN 0.229 nan 8.210 nan 0.000 0.531 455 E N 2.522 122.676 120.200 -0.076 0.000 2.388 455 E HA 0.220 4.572 4.350 0.003 0.000 0.280 455 E C -0.281 176.306 176.600 -0.022 0.000 1.019 455 E CA -0.673 55.694 56.400 -0.055 0.000 0.806 455 E CB 1.398 31.059 29.700 -0.065 0.000 1.246 455 E HN 0.625 nan 8.360 nan 0.000 0.443 456 T N -0.673 113.872 114.554 -0.015 0.000 2.698 456 T HA -0.155 4.197 4.350 0.003 0.000 0.260 456 T C 1.614 176.313 174.700 -0.001 0.000 1.044 456 T CA 1.356 63.455 62.100 -0.002 0.000 1.149 456 T CB -0.631 68.236 68.868 -0.002 0.000 0.864 456 T HN 0.852 nan 8.240 nan 0.000 0.419 457 S N 0.879 116.576 115.700 -0.006 0.000 3.023 457 S HA -0.318 4.154 4.470 0.003 0.000 0.318 457 S C 0.838 175.440 174.600 0.003 0.000 1.285 457 S CA 1.884 60.083 58.200 -0.003 0.000 1.050 457 S CB -1.265 61.933 63.200 -0.003 0.000 1.161 457 S HN 0.883 nan 8.310 nan 0.000 0.702 458 E N -0.380 119.823 120.200 0.004 0.000 2.357 458 E HA 0.230 4.582 4.350 0.003 0.000 0.190 458 E C 1.033 177.635 176.600 0.003 0.000 1.022 458 E CA 0.526 56.929 56.400 0.006 0.000 1.068 458 E CB 0.042 29.748 29.700 0.009 0.000 1.465 458 E HN 0.726 nan 8.360 nan 0.000 0.503 459 D N -1.416 118.987 120.400 0.004 0.000 2.337 459 D HA 0.282 4.923 4.640 0.003 0.000 0.349 459 D C 0.561 176.863 176.300 0.003 0.000 1.123 459 D CA 0.241 54.242 54.000 0.003 0.000 0.887 459 D CB 1.232 42.034 40.800 0.003 0.000 1.396 459 D HN 0.410 nan 8.370 nan 0.000 0.510 460 G N 0.229 109.032 108.800 0.005 0.000 2.384 460 G HA2 0.156 4.118 3.960 0.003 0.000 0.668 460 G HA3 0.156 4.118 3.960 0.003 0.000 0.668 460 G C 0.132 175.037 174.900 0.009 0.000 1.280 460 G CA 0.140 45.243 45.100 0.005 0.000 0.992 460 G HN 0.304 nan 8.290 nan 0.000 0.512 461 K N -2.364 118.042 120.400 0.011 0.000 9.641 461 K HA -0.212 4.110 4.320 0.003 0.000 0.509 461 K C 1.455 178.065 176.600 0.016 0.000 0.371 461 K CA 3.261 59.556 56.287 0.014 0.000 1.955 461 K CB -1.806 30.701 32.500 0.012 0.000 0.718 461 K HN 1.344 nan 8.250 nan 0.000 1.078 462 T N -0.082 114.480 114.554 0.015 0.000 2.810 462 T HA 0.598 4.950 4.350 0.003 0.000 0.277 462 T C -0.259 174.452 174.700 0.018 0.000 0.973 462 T CA 0.001 62.111 62.100 0.017 0.000 0.949 462 T CB 1.389 70.267 68.868 0.017 0.000 1.075 462 T HN 0.576 nan 8.240 nan 0.000 0.537 463 S N -0.258 115.457 115.700 0.024 0.000 2.556 463 S HA 0.615 5.087 4.470 0.003 0.000 0.280 463 S C -0.709 173.916 174.600 0.042 0.000 1.141 463 S CA -1.111 57.104 58.200 0.025 0.000 0.883 463 S CB 1.322 64.536 63.200 0.022 0.000 1.103 463 S HN 0.962 nan 8.310 nan 0.000 0.453 464 T N -0.464 114.114 114.554 0.041 0.000 2.940 464 T HA 0.708 5.059 4.350 0.003 0.000 0.288 464 T C -1.253 173.484 174.700 0.063 0.000 1.045 464 T CA -0.749 61.395 62.100 0.073 0.000 1.018 464 T CB 1.215 70.127 68.868 0.074 0.000 1.151 464 T HN 0.722 nan 8.240 nan 0.000 0.529 465 Y N 1.473 121.725 120.300 -0.080 0.000 2.330 465 Y HA 0.461 5.013 4.550 0.003 0.000 0.336 465 Y C 0.205 175.902 175.900 -0.338 0.000 1.036 465 Y CA -1.059 56.875 58.100 -0.277 0.000 1.125 465 Y CB 1.266 39.409 38.460 -0.529 0.000 1.194 465 Y HN 0.730 nan 8.280 nan 0.000 0.469 466 N N 5.954 124.316 118.700 -0.562 0.000 2.602 466 N HA 0.054 4.796 4.740 0.003 0.000 0.238 466 N C 0.044 175.409 175.510 -0.241 0.000 1.084 466 N CA 0.202 53.108 53.050 -0.240 0.000 0.952 466 N CB -0.137 38.296 38.487 -0.090 0.000 1.244 466 N HN 0.681 nan 8.380 nan 0.000 0.512 467 F N 1.957 121.990 119.950 0.138 0.000 2.234 467 F HA -0.015 4.514 4.527 0.003 0.000 0.299 467 F C 2.088 178.057 175.800 0.281 0.000 1.087 467 F CA 0.828 58.969 58.000 0.235 0.000 1.340 467 F CB 0.151 39.335 39.000 0.308 0.000 1.031 467 F HN 0.329 nan 8.300 nan 0.000 0.500 468 K N 0.154 120.788 120.400 0.391 0.000 2.063 468 K HA -0.175 4.147 4.320 0.003 0.000 0.208 468 K C 2.179 178.917 176.600 0.230 0.000 1.048 468 K CA 1.090 57.580 56.287 0.337 0.000 0.928 468 K CB -0.115 32.499 32.500 0.190 0.000 0.713 468 K HN -0.040 nan 8.250 nan 0.000 0.442 469 K N 0.961 121.470 120.400 0.181 0.000 2.025 469 K HA -0.098 4.224 4.320 0.003 0.000 0.207 469 K C 2.123 178.834 176.600 0.185 0.000 1.049 469 K CA 0.840 57.266 56.287 0.231 0.000 0.933 469 K CB -0.445 32.268 32.500 0.356 0.000 0.714 469 K HN 0.061 nan 8.250 nan 0.000 0.438 470 L N 1.291 122.386 121.223 -0.213 0.000 2.012 470 L HA -0.220 4.122 4.340 0.003 0.000 0.210 470 L C 2.477 179.160 176.870 -0.312 0.000 1.073 470 L CA 2.000 56.325 54.840 -0.859 0.000 0.748 470 L CB -0.870 40.712 42.059 -0.796 0.000 0.891 470 L HN 0.364 nan 8.230 nan 0.000 0.431 471 H N -0.221 118.720 119.070 -0.214 0.000 2.319 471 H HA -0.237 4.321 4.556 0.003 0.000 0.299 471 H C 2.169 177.375 175.328 -0.203 0.000 1.092 471 H CA 2.205 58.077 56.048 -0.294 0.000 1.302 471 H CB 0.065 29.567 29.762 -0.433 0.000 1.373 471 H HN 0.618 nan 8.280 nan 0.000 0.497 472 E N 0.047 120.276 120.200 0.049 0.000 2.070 472 E HA -0.160 4.191 4.350 0.003 0.000 0.197 472 E C 2.310 178.881 176.600 -0.047 0.000 1.004 472 E CA 1.326 57.739 56.400 0.021 0.000 0.805 472 E CB 0.064 29.799 29.700 0.059 0.000 0.744 472 E HN 0.357 nan 8.360 nan 0.000 0.451 473 I N 1.199 121.764 120.570 -0.008 0.000 2.315 473 I HA -0.189 3.983 4.170 0.003 0.000 0.248 473 I C 2.617 178.631 176.117 -0.171 0.000 1.117 473 I CA 1.220 62.516 61.300 -0.007 0.000 1.404 473 I CB -1.688 36.474 38.000 0.270 0.000 1.071 473 I HN 0.154 nan 8.210 nan 0.000 0.419 474 A N 1.101 123.791 122.820 -0.218 0.000 1.940 474 A HA -0.209 4.113 4.320 0.003 0.000 0.219 474 A C 2.307 179.728 177.584 -0.272 0.000 1.176 474 A CA 1.463 53.336 52.037 -0.274 0.000 0.631 474 A CB -0.439 18.366 19.000 -0.324 0.000 0.814 474 A HN 0.373 nan 8.150 nan 0.000 0.446 475 K N -0.364 119.876 120.400 -0.266 0.000 2.097 475 K HA -0.041 4.281 4.320 0.003 0.000 0.205 475 K C 1.940 178.445 176.600 -0.158 0.000 1.050 475 K CA 1.266 57.426 56.287 -0.211 0.000 0.938 475 K CB -0.503 31.889 32.500 -0.182 0.000 0.718 475 K HN 0.354 nan 8.250 nan 0.000 0.442 476 V N 1.589 121.404 119.914 -0.164 0.000 2.237 476 V HA -0.227 3.895 4.120 0.003 0.000 0.245 476 V C 2.475 178.446 176.094 -0.204 0.000 1.046 476 V CA 1.587 63.805 62.300 -0.138 0.000 1.007 476 V CB -0.458 31.294 31.823 -0.118 0.000 0.638 476 V HN 0.023 nan 8.190 nan 0.000 0.445 477 V N -0.029 119.630 119.914 -0.426 0.000 2.392 477 V HA -0.294 3.828 4.120 0.003 0.000 0.249 477 V C 2.547 178.527 176.094 -0.190 0.000 1.059 477 V CA 2.577 64.599 62.300 -0.464 0.000 1.051 477 V CB -1.200 30.258 31.823 -0.608 0.000 0.658 477 V HN 0.642 nan 8.190 nan 0.000 0.455 478 T N -0.069 114.390 114.554 -0.158 0.000 2.746 478 T HA -0.207 4.145 4.350 0.003 0.000 0.267 478 T C 2.043 176.722 174.700 -0.035 0.000 1.039 478 T CA 1.671 63.718 62.100 -0.087 0.000 1.142 478 T CB -0.254 68.554 68.868 -0.100 0.000 0.866 478 T HN 0.494 nan 8.240 nan 0.000 0.444 479 R N 1.105 121.592 120.500 -0.022 0.000 2.092 479 R HA -0.017 4.325 4.340 0.003 0.000 0.231 479 R C 2.418 178.764 176.300 0.076 0.000 1.119 479 R CA 1.269 57.390 56.100 0.035 0.000 0.970 479 R CB -0.316 30.019 30.300 0.058 0.000 0.864 479 R HN 0.309 nan 8.270 nan 0.000 0.440 480 N N 1.083 119.839 118.700 0.093 0.000 2.058 480 N HA -0.129 4.613 4.740 0.003 0.000 0.191 480 N C 1.820 177.370 175.510 0.065 0.000 1.037 480 N CA 1.222 54.323 53.050 0.085 0.000 0.848 480 N CB -0.359 38.277 38.487 0.249 0.000 1.021 480 N HN 0.151 nan 8.380 nan 0.000 0.422 481 L N 0.715 122.000 121.223 0.103 0.000 2.265 481 L HA -0.107 4.235 4.340 0.003 0.000 0.215 481 L C 1.940 178.835 176.870 0.042 0.000 1.117 481 L CA 0.714 55.604 54.840 0.083 0.000 0.782 481 L CB -0.365 41.726 42.059 0.053 0.000 0.914 481 L HN 0.259 nan 8.230 nan 0.000 0.441 482 N N -0.085 118.634 118.700 0.032 0.000 2.135 482 N HA -0.112 4.630 4.740 0.003 0.000 0.186 482 N C 1.971 177.500 175.510 0.031 0.000 1.027 482 N CA 0.859 53.929 53.050 0.032 0.000 0.849 482 N CB 0.088 38.593 38.487 0.030 0.000 1.002 482 N HN 0.252 nan 8.380 nan 0.000 0.425 483 R N 0.912 121.420 120.500 0.013 0.000 2.081 483 R HA -0.035 4.306 4.340 0.003 0.000 0.235 483 R C 2.251 178.541 176.300 -0.016 0.000 1.131 483 R CA 0.567 56.662 56.100 -0.007 0.000 0.960 483 R CB -1.091 29.167 30.300 -0.070 0.000 0.856 483 R HN 0.109 nan 8.270 nan 0.000 0.436 484 V N 1.907 121.801 119.914 -0.033 0.000 2.324 484 V HA -0.261 3.861 4.120 0.003 0.000 0.250 484 V C 2.454 178.554 176.094 0.011 0.000 1.060 484 V CA 1.787 64.069 62.300 -0.030 0.000 1.042 484 V CB -0.494 31.316 31.823 -0.021 0.000 0.650 484 V HN 0.232 nan 8.190 nan 0.000 0.450 485 I N 0.082 120.684 120.570 0.053 0.000 2.248 485 I HA -0.268 3.904 4.170 0.003 0.000 0.248 485 I C 2.171 178.388 176.117 0.167 0.000 1.107 485 I CA 1.742 63.117 61.300 0.127 0.000 1.373 485 I CB -0.443 37.623 38.000 0.110 0.000 1.055 485 I HN 0.369 nan 8.210 nan 0.000 0.418 486 D N 0.340 120.801 120.400 0.102 0.000 2.213 486 D HA -0.043 4.599 4.640 0.003 0.000 0.205 486 D C 2.095 178.450 176.300 0.093 0.000 0.961 486 D CA 0.908 54.972 54.000 0.107 0.000 0.853 486 D CB -0.040 40.804 40.800 0.073 0.000 0.967 486 D HN 0.320 nan 8.370 nan 0.000 0.496 487 R N 0.239 120.767 120.500 0.047 0.000 2.334 487 R HA 0.115 4.457 4.340 0.003 0.000 0.216 487 R C 0.477 176.779 176.300 0.003 0.000 0.905 487 R CA -0.344 55.775 56.100 0.031 0.000 1.064 487 R CB 0.090 30.394 30.300 0.008 0.000 1.046 487 R HN -0.010 nan 8.270 nan 0.000 0.508 488 N N 0.660 119.324 118.700 -0.059 0.000 2.479 488 N HA -0.118 4.624 4.740 0.003 0.000 0.257 488 N C -1.160 174.179 175.510 -0.285 0.000 1.232 488 N CA -0.020 52.896 53.050 -0.223 0.000 0.920 488 N CB 0.401 38.615 38.487 -0.456 0.000 1.105 488 N HN 0.004 nan 8.380 nan 0.000 0.444 489 Y N 3.208 123.320 120.300 -0.314 0.000 2.341 489 Y HA 0.342 4.894 4.550 0.003 0.000 0.340 489 Y C -1.365 174.362 175.900 -0.288 0.000 0.997 489 Y CA -0.673 57.315 58.100 -0.187 0.000 1.149 489 Y CB 0.187 38.609 38.460 -0.062 0.000 1.171 489 Y HN 0.461 nan 8.280 nan 0.000 0.494 490 Y N 8.726 128.702 120.300 -0.540 0.000 2.335 490 Y HA 0.285 4.837 4.550 0.003 0.000 0.339 490 Y C -1.322 174.180 175.900 -0.663 0.000 0.987 490 Y CA -2.372 55.501 58.100 -0.379 0.000 1.140 490 Y CB 1.009 39.372 38.460 -0.163 0.000 1.173 490 Y HN 0.566 nan 8.280 nan 0.000 0.486 491 P HA -0.121 nan 4.420 nan 0.000 0.218 491 P C -0.069 177.139 177.300 -0.153 0.000 1.148 491 P CA 1.341 64.306 63.100 -0.225 0.000 0.822 491 P CB 0.501 32.083 31.700 -0.198 0.000 0.784 492 V N -4.402 115.443 119.914 -0.116 0.000 3.007 492 V HA 0.442 4.563 4.120 0.003 0.000 0.311 492 V C 1.410 177.479 176.094 -0.042 0.000 1.120 492 V CA -0.812 61.444 62.300 -0.073 0.000 0.980 492 V CB 1.881 33.653 31.823 -0.085 0.000 1.033 492 V HN -0.215 nan 8.190 nan 0.000 0.429 493 E N 1.911 122.088 120.200 -0.039 0.000 2.118 493 E HA -0.208 4.144 4.350 0.003 0.000 0.195 493 E C 1.510 178.075 176.600 -0.059 0.000 0.992 493 E CA 2.368 58.740 56.400 -0.046 0.000 0.804 493 E CB -0.141 29.542 29.700 -0.027 0.000 0.741 493 E HN 0.889 nan 8.360 nan 0.000 0.458 494 E N 0.094 120.273 120.200 -0.035 0.000 2.160 494 E HA -0.133 4.218 4.350 0.003 0.000 0.195 494 E C 1.916 178.503 176.600 -0.022 0.000 0.991 494 E CA 1.457 57.844 56.400 -0.022 0.000 0.810 494 E CB -0.360 29.334 29.700 -0.010 0.000 0.742 494 E HN 0.442 nan 8.360 nan 0.000 0.466 495 A N 0.800 123.617 122.820 -0.006 0.000 1.929 495 A HA -0.114 4.207 4.320 0.003 0.000 0.216 495 A C 2.112 179.547 177.584 -0.249 0.000 1.176 495 A CA 1.273 53.347 52.037 0.061 0.000 0.628 495 A CB -0.297 18.897 19.000 0.322 0.000 0.816 495 A HN 0.092 nan 8.150 nan 0.000 0.444 496 R N 0.103 120.319 120.500 -0.473 0.000 2.066 496 R HA -0.149 4.193 4.340 0.003 0.000 0.232 496 R C 2.272 178.292 176.300 -0.466 0.000 1.131 496 R CA 1.888 57.434 56.100 -0.923 0.000 0.955 496 R CB -0.320 29.659 30.300 -0.535 0.000 0.851 496 R HN 0.518 nan 8.270 nan 0.000 0.432 497 K N 0.060 120.317 120.400 -0.239 0.000 2.044 497 K HA -0.170 4.152 4.320 0.003 0.000 0.210 497 K C 2.162 178.685 176.600 -0.129 0.000 1.049 497 K CA 1.975 58.178 56.287 -0.141 0.000 0.927 497 K CB -0.279 32.182 32.500 -0.065 0.000 0.713 497 K HN 0.132 nan 8.250 nan 0.000 0.443 498 S N 0.452 116.109 115.700 -0.073 0.000 2.348 498 S HA -0.172 4.300 4.470 0.003 0.000 0.221 498 S C 1.858 176.443 174.600 -0.025 0.000 1.033 498 S CA 1.734 59.954 58.200 0.033 0.000 1.010 498 S CB -0.473 62.792 63.200 0.109 0.000 0.891 498 S HN 0.409 nan 8.310 nan 0.000 0.442 499 N N 0.591 119.242 118.700 -0.082 0.000 2.120 499 N HA 0.020 4.762 4.740 0.003 0.000 0.188 499 N C 1.764 177.228 175.510 -0.077 0.000 1.024 499 N CA 1.452 54.472 53.050 -0.049 0.000 0.852 499 N CB -0.322 38.159 38.487 -0.011 0.000 1.003 499 N HN 0.365 nan 8.380 nan 0.000 0.424 500 M N -0.036 119.474 119.600 -0.150 0.000 2.229 500 M HA -0.009 4.473 4.480 0.003 0.000 0.264 500 M C 1.890 178.126 176.300 -0.106 0.000 1.063 500 M CA 1.060 56.301 55.300 -0.098 0.000 1.114 500 M CB -0.751 31.784 32.600 -0.108 0.000 1.387 500 M HN 0.147 nan 8.290 nan 0.000 0.420 501 R N -0.892 119.465 120.500 -0.238 0.000 2.075 501 R HA -0.073 4.268 4.340 0.003 0.000 0.226 501 R C 1.730 177.827 176.300 -0.338 0.000 1.114 501 R CA 0.982 56.854 56.100 -0.381 0.000 0.972 501 R CB 0.062 29.928 30.300 -0.724 0.000 0.869 501 R HN 0.500 nan 8.270 nan 0.000 0.437 502 H N -0.789 118.322 119.070 0.068 0.000 2.874 502 H HA 0.268 4.826 4.556 0.003 0.000 0.264 502 H C 0.050 175.251 175.328 -0.210 0.000 1.007 502 H CA -0.103 55.919 56.048 -0.042 0.000 1.207 502 H CB 0.506 30.243 29.762 -0.041 0.000 1.487 502 H HN 0.023 nan 8.280 nan 0.000 0.505 503 R N 0.867 121.360 120.500 -0.012 0.000 3.301 503 R HA -0.117 4.225 4.340 0.003 0.000 0.249 503 R C -2.496 173.771 176.300 -0.054 0.000 0.964 503 R CA 0.132 56.221 56.100 -0.018 0.000 0.653 503 R CB -1.670 28.638 30.300 0.013 0.000 1.043 503 R HN 0.382 nan 8.270 nan 0.000 0.454 504 P HA 0.153 nan 4.420 nan 0.000 0.271 504 P C -0.019 177.276 177.300 -0.009 0.000 1.218 504 P CA 0.176 63.254 63.100 -0.036 0.000 0.780 504 P CB 0.877 32.570 31.700 -0.011 0.000 0.901 505 I N 1.199 121.767 120.570 -0.004 0.000 2.934 505 I HA 0.548 4.720 4.170 0.003 0.000 0.306 505 I C -0.141 175.985 176.117 0.015 0.000 1.110 505 I CA -1.367 59.938 61.300 0.008 0.000 1.019 505 I CB 1.902 39.908 38.000 0.010 0.000 1.227 505 I HN 0.402 nan 8.210 nan 0.000 0.434 506 A N 5.327 128.156 122.820 0.015 0.000 2.855 506 A HA 0.637 4.959 4.320 0.003 0.000 0.313 506 A C -1.110 176.487 177.584 0.023 0.000 1.173 506 A CA -0.355 51.697 52.037 0.024 0.000 0.753 506 A CB 0.242 19.252 19.000 0.017 0.000 1.200 506 A HN 0.442 nan 8.150 nan 0.000 0.442 507 L N 1.415 122.654 121.223 0.027 0.000 2.395 507 L HA 0.711 5.053 4.340 0.003 0.000 0.269 507 L C 1.062 177.969 176.870 0.061 0.000 1.133 507 L CA 0.978 55.824 54.840 0.011 0.000 0.812 507 L CB 1.363 43.413 42.059 -0.014 0.000 1.125 507 L HN 0.716 nan 8.230 nan 0.000 0.452 508 G N 0.760 109.597 108.800 0.062 0.000 3.086 508 G HA2 0.777 4.739 3.960 0.003 0.000 0.282 508 G HA3 0.777 4.739 3.960 0.003 0.000 0.282 508 G C -1.291 173.676 174.900 0.113 0.000 1.343 508 G CA -0.006 45.176 45.100 0.136 0.000 0.895 508 G HN 0.696 nan 8.290 nan 0.000 0.557 509 V N -2.700 117.320 119.914 0.176 0.000 3.182 509 V HA 0.971 5.093 4.120 0.003 0.000 0.308 509 V C -1.249 174.918 176.094 0.121 0.000 1.240 509 V CA -0.723 61.645 62.300 0.112 0.000 1.063 509 V CB 1.416 33.276 31.823 0.060 0.000 1.076 509 V HN 1.333 nan 8.190 nan 0.000 0.446 510 Q N 0.107 119.946 119.800 0.064 0.000 2.578 510 Q HA 0.657 4.999 4.340 0.003 0.000 0.284 510 Q C 0.153 176.137 176.000 -0.027 0.000 0.960 510 Q CA -0.516 55.321 55.803 0.056 0.000 0.809 510 Q CB 1.306 30.106 28.738 0.103 0.000 1.462 510 Q HN 2.587 nan 8.270 nan 0.000 0.392 511 G N 0.518 109.314 108.800 -0.008 0.000 2.136 511 G HA2 -0.273 3.689 3.960 0.003 0.000 0.242 511 G HA3 -0.273 3.689 3.960 0.003 0.000 0.242 511 G C 0.294 175.081 174.900 -0.189 0.000 0.989 511 G CA 0.375 45.404 45.100 -0.118 0.000 0.682 511 G HN 0.588 nan 8.290 nan 0.000 0.522 512 L N -0.235 120.893 121.223 -0.158 0.000 1.994 512 L HA 0.003 4.345 4.340 0.003 0.000 0.208 512 L C 3.158 179.707 176.870 -0.535 0.000 1.071 512 L CA 2.631 57.238 54.840 -0.388 0.000 0.745 512 L CB -0.719 41.236 42.059 -0.173 0.000 0.892 512 L HN 0.504 nan 8.230 nan 0.000 0.431 513 A N -0.068 122.694 122.820 -0.095 0.000 1.908 513 A HA -0.294 4.028 4.320 0.003 0.000 0.218 513 A C 1.716 179.293 177.584 -0.011 0.000 1.181 513 A CA 2.249 54.356 52.037 0.116 0.000 0.627 513 A CB -0.795 18.349 19.000 0.240 0.000 0.818 513 A HN 0.536 nan 8.150 nan 0.000 0.445 514 D N -0.845 119.529 120.400 -0.042 0.000 2.104 514 D HA -0.094 4.548 4.640 0.003 0.000 0.194 514 D C 1.994 178.147 176.300 -0.245 0.000 0.994 514 D CA 1.827 55.757 54.000 -0.117 0.000 0.830 514 D CB -0.445 40.412 40.800 0.094 0.000 0.959 514 D HN 0.398 nan 8.370 nan 0.000 0.452 515 T N 0.420 114.822 114.554 -0.255 0.000 2.607 515 T HA -0.177 4.175 4.350 0.003 0.000 0.267 515 T C 1.561 176.184 174.700 -0.129 0.000 1.049 515 T CA 1.008 62.970 62.100 -0.231 0.000 1.162 515 T CB -0.516 68.140 68.868 -0.354 0.000 0.863 515 T HN 0.048 nan 8.240 nan 0.000 0.424 516 F N 1.234 121.089 119.950 -0.159 0.000 2.161 516 F HA -0.029 4.500 4.527 0.003 0.000 0.300 516 F C 2.439 178.133 175.800 -0.176 0.000 1.089 516 F CA 0.590 58.486 58.000 -0.174 0.000 1.282 516 F CB -1.107 37.773 39.000 -0.198 0.000 1.010 516 F HN 0.171 nan 8.300 nan 0.000 0.485 517 M N -1.021 118.559 119.600 -0.033 0.000 2.086 517 M HA -0.192 4.290 4.480 0.003 0.000 0.261 517 M C 2.176 178.351 176.300 -0.208 0.000 1.067 517 M CA 1.204 56.395 55.300 -0.182 0.000 1.116 517 M CB -0.616 31.805 32.600 -0.297 0.000 1.348 517 M HN 0.070 nan 8.290 nan 0.000 0.407 518 L N 0.406 121.470 121.223 -0.264 0.000 2.042 518 L HA -0.139 4.202 4.340 0.003 0.000 0.210 518 L C 2.133 178.983 176.870 -0.032 0.000 1.076 518 L CA 1.805 56.570 54.840 -0.124 0.000 0.749 518 L CB -1.218 40.794 42.059 -0.079 0.000 0.893 518 L HN 0.399 nan 8.230 nan 0.000 0.432 519 L N -0.377 120.836 121.223 -0.016 0.000 2.599 519 L HA 0.048 4.390 4.340 0.003 0.000 0.230 519 L C 0.470 177.334 176.870 -0.010 0.000 1.141 519 L CA -0.106 54.742 54.840 0.013 0.000 0.877 519 L CB -0.200 41.888 42.059 0.048 0.000 1.009 519 L HN 0.321 nan 8.230 nan 0.000 0.447 520 R N 0.299 120.776 120.500 -0.039 0.000 3.333 520 R HA -0.166 4.176 4.340 0.003 0.000 0.256 520 R C -0.798 175.451 176.300 -0.086 0.000 1.010 520 R CA 0.505 56.562 56.100 -0.072 0.000 0.680 520 R CB -2.576 27.699 30.300 -0.041 0.000 1.102 520 R HN 0.345 nan 8.270 nan 0.000 0.440 521 L N 0.475 121.645 121.223 -0.089 0.000 2.319 521 L HA 0.446 4.788 4.340 0.003 0.000 0.281 521 L C -2.124 174.632 176.870 -0.190 0.000 1.005 521 L CA -2.396 52.356 54.840 -0.147 0.000 0.828 521 L CB 1.868 43.815 42.059 -0.188 0.000 1.227 521 L HN -0.248 nan 8.230 nan 0.000 0.415 522 P HA -0.044 nan 4.420 nan 0.000 0.264 522 P C 0.451 177.651 177.300 -0.167 0.000 1.183 522 P CA 0.041 63.072 63.100 -0.115 0.000 0.763 522 P CB 0.465 32.115 31.700 -0.083 0.000 0.807 523 F N 3.389 123.244 119.950 -0.157 0.000 2.161 523 F HA -0.224 4.305 4.527 0.003 0.000 0.300 523 F C 1.326 177.011 175.800 -0.192 0.000 1.089 523 F CA 2.099 60.001 58.000 -0.163 0.000 1.282 523 F CB -0.307 38.721 39.000 0.047 0.000 1.010 523 F HN 0.332 nan 8.300 nan 0.000 0.485 524 D N -0.818 119.660 120.400 0.132 0.000 2.370 524 D HA 0.101 4.743 4.640 0.003 0.000 0.230 524 D C 0.544 176.821 176.300 -0.039 0.000 1.143 524 D CA 0.241 54.284 54.000 0.071 0.000 0.834 524 D CB -0.810 40.043 40.800 0.088 0.000 0.944 524 D HN 0.187 nan 8.370 nan 0.000 0.504 525 S N -0.862 114.756 115.700 -0.136 0.000 2.669 525 S HA 0.252 4.724 4.470 0.003 0.000 0.270 525 S C 1.120 175.625 174.600 -0.158 0.000 1.225 525 S CA -0.687 57.429 58.200 -0.140 0.000 0.991 525 S CB 2.034 65.132 63.200 -0.170 0.000 0.987 525 S HN -0.026 nan 8.310 nan 0.000 0.552 526 E N 0.563 120.694 120.200 -0.116 0.000 2.152 526 E HA -0.079 4.273 4.350 0.003 0.000 0.192 526 E C 1.462 177.981 176.600 -0.135 0.000 0.983 526 E CA 1.428 57.767 56.400 -0.102 0.000 0.818 526 E CB -0.346 29.315 29.700 -0.064 0.000 0.758 526 E HN 0.743 nan 8.360 nan 0.000 0.467 527 E N 0.132 120.239 120.200 -0.156 0.000 2.072 527 E HA 0.001 4.353 4.350 0.003 0.000 0.190 527 E C 1.939 178.385 176.600 -0.257 0.000 0.982 527 E CA 1.358 57.660 56.400 -0.162 0.000 0.803 527 E CB -0.521 29.098 29.700 -0.136 0.000 0.755 527 E HN 0.365 nan 8.360 nan 0.000 0.453 528 A N 1.098 123.651 122.820 -0.445 0.000 1.933 528 A HA -0.208 4.113 4.320 0.003 0.000 0.218 528 A C 2.154 179.423 177.584 -0.525 0.000 1.175 528 A CA 1.757 53.270 52.037 -0.872 0.000 0.628 528 A CB -0.496 17.623 19.000 -1.467 0.000 0.814 528 A HN 0.170 nan 8.150 nan 0.000 0.444 529 R N -0.417 119.889 120.500 -0.324 0.000 2.081 529 R HA -0.044 4.298 4.340 0.003 0.000 0.235 529 R C 2.027 178.243 176.300 -0.139 0.000 1.131 529 R CA 1.548 57.544 56.100 -0.174 0.000 0.960 529 R CB -0.391 29.839 30.300 -0.117 0.000 0.856 529 R HN 0.502 nan 8.270 nan 0.000 0.436 530 L N 0.674 121.799 121.223 -0.163 0.000 2.027 530 L HA -0.160 4.182 4.340 0.003 0.000 0.206 530 L C 2.379 179.133 176.870 -0.193 0.000 1.074 530 L CA 0.905 55.620 54.840 -0.207 0.000 0.745 530 L CB -0.300 41.651 42.059 -0.180 0.000 0.898 530 L HN 0.324 nan 8.230 nan 0.000 0.433 531 L N 0.510 121.673 121.223 -0.099 0.000 2.079 531 L HA -0.267 4.075 4.340 0.003 0.000 0.210 531 L C 2.102 178.994 176.870 0.037 0.000 1.081 531 L CA 1.997 56.835 54.840 -0.003 0.000 0.752 531 L CB -0.877 41.220 42.059 0.063 0.000 0.896 531 L HN 0.326 nan 8.230 nan 0.000 0.433 532 N N -0.271 118.490 118.700 0.101 0.000 2.069 532 N HA -0.215 4.526 4.740 0.003 0.000 0.191 532 N C 1.828 177.465 175.510 0.212 0.000 1.031 532 N CA 2.113 55.290 53.050 0.212 0.000 0.852 532 N CB -0.277 38.329 38.487 0.197 0.000 1.018 532 N HN 0.490 nan 8.380 nan 0.000 0.423 533 I N 0.264 120.862 120.570 0.047 0.000 2.179 533 I HA -0.291 3.881 4.170 0.003 0.000 0.242 533 I C 2.288 178.365 176.117 -0.066 0.000 1.088 533 I CA 1.170 62.484 61.300 0.023 0.000 1.357 533 I CB -0.359 37.561 38.000 -0.134 0.000 1.051 533 I HN 0.334 nan 8.210 nan 0.000 0.409 534 Q N 0.612 120.299 119.800 -0.188 0.000 2.050 534 Q HA -0.181 4.161 4.340 0.003 0.000 0.202 534 Q C 2.377 178.408 176.000 0.052 0.000 0.980 534 Q CA 1.541 57.246 55.803 -0.164 0.000 0.840 534 Q CB -0.157 28.394 28.738 -0.311 0.000 0.898 534 Q HN 0.511 nan 8.270 nan 0.000 0.424 535 I N 0.031 120.653 120.570 0.088 0.000 2.118 535 I HA -0.290 3.882 4.170 0.003 0.000 0.241 535 I C 1.926 177.922 176.117 -0.203 0.000 1.070 535 I CA 1.423 62.699 61.300 -0.040 0.000 1.327 535 I CB -0.252 37.570 38.000 -0.297 0.000 1.034 535 I HN 0.134 nan 8.210 nan 0.000 0.405 536 F N 0.688 120.615 119.950 -0.040 0.000 2.293 536 F HA -0.157 4.372 4.527 0.004 0.000 0.300 536 F C 2.553 178.257 175.800 -0.160 0.000 1.086 536 F CA 1.312 59.283 58.000 -0.048 0.000 1.375 536 F CB -0.404 38.595 39.000 -0.001 0.000 1.045 536 F HN 0.126 nan 8.300 nan 0.000 0.516 537 E N 0.088 120.108 120.200 -0.299 0.000 2.047 537 E HA -0.229 4.123 4.350 0.003 0.000 0.191 537 E C 2.339 178.974 176.600 0.058 0.000 0.987 537 E CA 1.848 57.923 56.400 -0.540 0.000 0.799 537 E CB -0.165 29.275 29.700 -0.434 0.000 0.752 537 E HN 0.395 nan 8.360 nan 0.000 0.449 538 T N -0.422 114.174 114.554 0.068 0.000 2.777 538 T HA -0.118 4.233 4.350 0.003 0.000 0.266 538 T C 2.029 176.605 174.700 -0.207 0.000 1.040 538 T CA 1.380 63.407 62.100 -0.121 0.000 1.141 538 T CB -0.449 68.561 68.868 0.237 0.000 0.868 538 T HN 0.207 nan 8.240 nan 0.000 0.444 539 I N -0.346 120.154 120.570 -0.118 0.000 2.286 539 I HA -0.073 4.098 4.170 0.003 0.000 0.248 539 I C 2.483 178.604 176.117 0.008 0.000 1.115 539 I CA 1.534 62.750 61.300 -0.140 0.000 1.392 539 I CB -0.500 37.411 38.000 -0.147 0.000 1.065 539 I HN 0.241 nan 8.210 nan 0.000 0.418 540 Y N 1.064 121.392 120.300 0.047 0.000 2.163 540 Y HA -0.278 4.274 4.550 0.003 0.000 0.288 540 Y C 2.816 178.857 175.900 0.236 0.000 1.136 540 Y CA 1.717 59.948 58.100 0.217 0.000 1.147 540 Y CB -0.804 37.919 38.460 0.437 0.000 0.987 540 Y HN 0.192 nan 8.280 nan 0.000 0.509 541 H N 0.112 119.176 119.070 -0.010 0.000 2.290 541 H HA -0.155 4.403 4.556 0.003 0.000 0.298 541 H C 2.126 177.145 175.328 -0.514 0.000 1.087 541 H CA 1.787 57.543 56.048 -0.487 0.000 1.291 541 H CB -0.394 28.873 29.762 -0.826 0.000 1.369 541 H HN 0.426 nan 8.280 nan 0.000 0.492 542 A N 0.606 123.088 122.820 -0.563 0.000 1.883 542 A HA -0.211 4.111 4.320 0.003 0.000 0.217 542 A C 2.851 180.156 177.584 -0.466 0.000 1.186 542 A CA 2.605 54.087 52.037 -0.925 0.000 0.624 542 A CB -0.958 17.277 19.000 -1.276 0.000 0.822 542 A HN 0.689 nan 8.150 nan 0.000 0.444 543 S N -0.817 114.707 115.700 -0.293 0.000 2.382 543 S HA -0.152 4.320 4.470 0.003 0.000 0.228 543 S C 1.921 176.430 174.600 -0.151 0.000 1.027 543 S CA 1.742 59.844 58.200 -0.165 0.000 0.991 543 S CB -0.448 62.732 63.200 -0.034 0.000 0.823 543 S HN 0.379 nan 8.310 nan 0.000 0.469 544 M N 1.502 120.975 119.600 -0.211 0.000 2.254 544 M HA 0.088 4.570 4.480 0.003 0.000 0.265 544 M C 2.384 178.556 176.300 -0.212 0.000 1.066 544 M CA 1.407 56.588 55.300 -0.198 0.000 1.123 544 M CB -1.191 31.234 32.600 -0.291 0.000 1.388 544 M HN 0.619 nan 8.290 nan 0.000 0.425 545 E N 0.517 120.536 120.200 -0.301 0.000 2.047 545 E HA -0.130 4.222 4.350 0.003 0.000 0.191 545 E C 2.006 178.514 176.600 -0.152 0.000 0.987 545 E CA 1.334 57.590 56.400 -0.240 0.000 0.799 545 E CB 0.101 29.664 29.700 -0.229 0.000 0.752 545 E HN 0.389 nan 8.360 nan 0.000 0.449 546 A N 0.532 123.256 122.820 -0.160 0.000 1.933 546 A HA -0.166 4.156 4.320 0.003 0.000 0.218 546 A C 2.329 179.861 177.584 -0.086 0.000 1.175 546 A CA 1.796 53.764 52.037 -0.115 0.000 0.628 546 A CB -0.804 18.120 19.000 -0.126 0.000 0.814 546 A HN 0.349 nan 8.150 nan 0.000 0.444 547 S N -1.384 114.266 115.700 -0.082 0.000 2.399 547 S HA -0.188 4.284 4.470 0.003 0.000 0.231 547 S C 1.999 176.568 174.600 -0.051 0.000 1.022 547 S CA 1.483 59.655 58.200 -0.046 0.000 0.983 547 S CB -0.857 62.331 63.200 -0.020 0.000 0.803 547 S HN 0.720 nan 8.310 nan 0.000 0.480 548 C N 1.349 120.605 119.300 -0.072 0.000 2.457 548 C HA 0.099 4.561 4.460 0.003 0.000 0.278 548 C C 2.399 177.336 174.990 -0.088 0.000 1.309 548 C CA 1.094 60.067 59.018 -0.074 0.000 1.735 548 C CB -1.456 26.246 27.740 -0.064 0.000 1.992 548 C HN 0.704 nan 8.230 nan 0.000 0.493 549 E N 0.481 120.628 120.200 -0.089 0.000 2.051 549 E HA -0.188 4.164 4.350 0.003 0.000 0.192 549 E C 2.084 178.634 176.600 -0.084 0.000 0.991 549 E CA 1.420 57.762 56.400 -0.097 0.000 0.799 549 E CB -0.253 29.400 29.700 -0.078 0.000 0.748 549 E HN 0.643 nan 8.360 nan 0.000 0.449 550 L N 0.561 121.748 121.223 -0.060 0.000 2.079 550 L HA -0.216 4.126 4.340 0.003 0.000 0.210 550 L C 2.524 179.367 176.870 -0.045 0.000 1.081 550 L CA 0.993 55.809 54.840 -0.040 0.000 0.752 550 L CB -0.443 41.605 42.059 -0.019 0.000 0.896 550 L HN 0.172 nan 8.230 nan 0.000 0.433 551 A N -0.581 122.201 122.820 -0.063 0.000 1.969 551 A HA -0.220 4.102 4.320 0.003 0.000 0.218 551 A C 2.213 179.750 177.584 -0.078 0.000 1.169 551 A CA 1.344 53.332 52.037 -0.081 0.000 0.635 551 A CB -0.338 18.578 19.000 -0.140 0.000 0.810 551 A HN 0.498 nan 8.150 nan 0.000 0.445 552 Q N -0.374 119.362 119.800 -0.107 0.000 2.172 552 Q HA -0.128 4.214 4.340 0.003 0.000 0.200 552 Q C 1.914 177.860 176.000 -0.090 0.000 0.964 552 Q CA 1.542 57.258 55.803 -0.145 0.000 0.855 552 Q CB -0.126 28.435 28.738 -0.295 0.000 0.918 552 Q HN 0.670 nan 8.270 nan 0.000 0.444 553 K N 0.228 120.586 120.400 -0.071 0.000 2.067 553 K HA -0.050 4.272 4.320 0.003 0.000 0.203 553 K C 0.961 177.546 176.600 -0.025 0.000 1.048 553 K CA 1.116 57.377 56.287 -0.044 0.000 0.954 553 K CB 0.309 32.788 32.500 -0.035 0.000 0.737 553 K HN 0.088 nan 8.250 nan 0.000 0.444 554 D N -0.604 119.783 120.400 -0.021 0.000 2.433 554 D HA 0.146 4.788 4.640 0.003 0.000 0.211 554 D C 0.345 176.641 176.300 -0.007 0.000 1.114 554 D CA 0.397 54.393 54.000 -0.006 0.000 0.837 554 D CB 1.165 41.969 40.800 0.006 0.000 0.984 554 D HN 0.288 nan 8.370 nan 0.000 0.505 555 G N 2.056 110.842 108.800 -0.023 0.000 2.692 555 G HA2 -0.138 3.824 3.960 0.003 0.000 0.686 555 G HA3 -0.138 3.824 3.960 0.003 0.000 0.686 555 G C -3.020 171.847 174.900 -0.055 0.000 1.243 555 G CA -1.192 43.889 45.100 -0.032 0.000 0.782 555 G HN -0.117 nan 8.290 nan 0.000 0.625 556 P HA 0.419 nan 4.420 nan 0.000 0.272 556 P C 0.153 177.419 177.300 -0.056 0.000 1.240 556 P CA -0.376 62.596 63.100 -0.213 0.000 0.791 556 P CB 0.157 31.570 31.700 -0.478 0.000 0.978 557 Y N -1.416 118.898 120.300 0.025 0.000 2.426 557 Y HA 0.128 4.680 4.550 0.003 0.000 0.344 557 Y C 1.690 177.658 175.900 0.113 0.000 1.256 557 Y CA -0.260 57.883 58.100 0.071 0.000 1.451 557 Y CB -0.417 38.104 38.460 0.102 0.000 1.342 557 Y HN 0.473 nan 8.280 nan 0.000 0.600 558 E N 0.591 120.898 120.200 0.179 0.000 2.114 558 E HA -0.215 4.137 4.350 0.003 0.000 0.199 558 E C 1.239 177.891 176.600 0.087 0.000 1.008 558 E CA 2.194 58.651 56.400 0.095 0.000 0.810 558 E CB -0.221 29.520 29.700 0.068 0.000 0.739 558 E HN 0.864 nan 8.360 nan 0.000 0.456 559 T N -2.042 112.646 114.554 0.225 0.000 3.223 559 T HA 0.102 4.454 4.350 0.003 0.000 0.259 559 T C 0.998 175.688 174.700 -0.016 0.000 1.015 559 T CA -0.507 61.709 62.100 0.193 0.000 0.908 559 T CB -0.353 68.760 68.868 0.408 0.000 1.054 559 T HN 0.141 nan 8.240 nan 0.000 0.567 560 F N 1.901 121.428 119.950 -0.706 0.000 2.186 560 F HA 0.144 4.673 4.527 0.003 0.000 0.299 560 F C 1.084 176.713 175.800 -0.287 0.000 1.090 560 F CA 0.427 57.901 58.000 -0.875 0.000 1.307 560 F CB -0.049 38.309 39.000 -1.070 0.000 1.019 560 F HN 0.181 nan 8.300 nan 0.000 0.489 561 Q N 1.098 120.677 119.800 -0.370 0.000 2.289 561 Q HA 0.355 4.697 4.340 0.003 0.000 0.273 561 Q C 0.718 176.542 176.000 -0.294 0.000 1.029 561 Q CA 0.773 56.350 55.803 -0.376 0.000 0.896 561 Q CB 0.506 29.172 28.738 -0.120 0.000 1.182 561 Q HN 0.614 nan 8.270 nan 0.000 0.385 562 G N 2.405 111.011 108.800 -0.323 0.000 2.195 562 G HA2 -0.241 3.721 3.960 0.003 0.000 0.224 562 G HA3 -0.241 3.721 3.960 0.003 0.000 0.224 562 G C 0.066 174.853 174.900 -0.189 0.000 0.990 562 G CA 0.236 45.218 45.100 -0.197 0.000 0.639 562 G HN 1.064 nan 8.290 nan 0.000 0.514 563 S N 0.329 115.865 115.700 -0.274 0.000 2.617 563 S HA 0.653 5.125 4.470 0.003 0.000 0.269 563 S C -0.832 173.680 174.600 -0.145 0.000 1.292 563 S CA -0.517 57.587 58.200 -0.160 0.000 1.010 563 S CB 2.346 65.497 63.200 -0.082 0.000 0.944 563 S HN -0.039 nan 8.310 nan 0.000 0.536 564 P HA -0.093 nan 4.420 nan 0.000 0.216 564 P C 1.566 178.847 177.300 -0.032 0.000 1.153 564 P CA 2.035 65.110 63.100 -0.043 0.000 0.858 564 P CB -0.232 31.459 31.700 -0.016 0.000 0.789 565 A N -0.017 122.811 122.820 0.014 0.000 1.972 565 A HA -0.192 4.130 4.320 0.003 0.000 0.219 565 A C 2.317 179.944 177.584 0.073 0.000 1.169 565 A CA 2.207 54.305 52.037 0.101 0.000 0.635 565 A CB -1.616 17.541 19.000 0.263 0.000 0.810 565 A HN 0.350 nan 8.150 nan 0.000 0.446 566 S N -1.215 114.355 115.700 -0.216 0.000 2.474 566 S HA -0.086 4.386 4.470 0.003 0.000 0.235 566 S C 1.301 175.832 174.600 -0.115 0.000 0.997 566 S CA 1.042 59.026 58.200 -0.360 0.000 0.949 566 S CB -0.125 62.498 63.200 -0.962 0.000 0.766 566 S HN 0.516 nan 8.310 nan 0.000 0.517 567 Q N 0.589 120.336 119.800 -0.089 0.000 2.204 567 Q HA 0.337 4.678 4.340 0.003 0.000 0.209 567 Q C 1.196 177.191 176.000 -0.008 0.000 0.861 567 Q CA 0.472 56.248 55.803 -0.046 0.000 0.971 567 Q CB 0.111 28.815 28.738 -0.058 0.000 1.095 567 Q HN 0.742 nan 8.270 nan 0.000 0.486 568 G N 1.420 110.232 108.800 0.020 0.000 2.153 568 G HA2 -0.265 3.697 3.960 0.003 0.000 0.252 568 G HA3 -0.265 3.697 3.960 0.003 0.000 0.252 568 G C 0.166 175.068 174.900 0.004 0.000 0.994 568 G CA -0.018 45.104 45.100 0.037 0.000 0.698 568 G HN 0.386 nan 8.290 nan 0.000 0.521 569 I N 1.495 122.055 120.570 -0.017 0.000 2.306 569 I HA 0.395 4.566 4.170 0.003 0.000 0.288 569 I C 0.912 176.982 176.117 -0.078 0.000 1.036 569 I CA -0.615 60.651 61.300 -0.057 0.000 1.221 569 I CB 0.646 38.619 38.000 -0.044 0.000 1.385 569 I HN -0.015 nan 8.210 nan 0.000 0.472 570 L N 4.649 125.749 121.223 -0.205 0.000 2.416 570 L HA 0.292 4.634 4.340 0.003 0.000 0.263 570 L C 1.399 178.096 176.870 -0.288 0.000 1.065 570 L CA -0.593 54.105 54.840 -0.238 0.000 0.798 570 L CB 0.723 42.514 42.059 -0.445 0.000 1.267 570 L HN 0.453 nan 8.230 nan 0.000 0.467 571 Q N 1.066 120.795 119.800 -0.118 0.000 2.062 571 Q HA -0.246 4.096 4.340 0.003 0.000 0.209 571 Q C 1.702 177.665 176.000 -0.063 0.000 0.996 571 Q CA 2.559 58.314 55.803 -0.079 0.000 0.859 571 Q CB -0.415 28.208 28.738 -0.191 0.000 0.920 571 Q HN 0.591 nan 8.270 nan 0.000 0.415 572 F N -0.827 119.054 119.950 -0.114 0.000 2.269 572 F HA 0.003 4.531 4.527 0.003 0.000 0.301 572 F C 1.515 177.305 175.800 -0.017 0.000 1.082 572 F CA 1.047 58.927 58.000 -0.201 0.000 1.360 572 F CB -0.670 38.079 39.000 -0.419 0.000 1.041 572 F HN 0.022 nan 8.300 nan 0.000 0.512 573 D N 1.083 121.346 120.400 -0.229 0.000 2.178 573 D HA -0.129 4.513 4.640 0.003 0.000 0.201 573 D C 2.064 178.368 176.300 0.006 0.000 0.980 573 D CA 1.419 55.375 54.000 -0.073 0.000 0.842 573 D CB -0.274 40.426 40.800 -0.167 0.000 0.948 573 D HN 0.427 nan 8.370 nan 0.000 0.472 574 M N -1.151 118.461 119.600 0.020 0.000 2.659 574 M HA -0.060 4.422 4.480 0.003 0.000 0.243 574 M C 0.675 176.956 176.300 -0.032 0.000 1.111 574 M CA 0.581 55.878 55.300 -0.005 0.000 1.070 574 M CB 0.110 32.693 32.600 -0.028 0.000 1.525 574 M HN 0.054 nan 8.290 nan 0.000 0.517 575 W N -0.053 121.188 121.300 -0.098 0.000 3.005 575 W HA 0.185 4.847 4.660 0.003 0.000 0.374 575 W C 0.016 176.489 176.519 -0.075 0.000 1.076 575 W CA -0.578 56.707 57.345 -0.099 0.000 1.794 575 W CB 0.238 29.625 29.460 -0.122 0.000 1.113 575 W HN 0.177 nan 8.180 nan 0.000 0.584 576 D N 1.112 121.585 120.400 0.121 0.000 2.708 576 D HA -0.207 4.435 4.640 0.003 0.000 0.236 576 D C 0.046 176.397 176.300 0.086 0.000 1.146 576 D CA 1.089 55.131 54.000 0.071 0.000 0.662 576 D CB -1.091 39.721 40.800 0.020 0.000 1.059 576 D HN 0.344 nan 8.370 nan 0.000 0.428 577 Q N -0.578 119.295 119.800 0.122 0.000 2.416 577 Q HA 0.456 4.798 4.340 0.003 0.000 0.279 577 Q C 0.020 176.080 176.000 0.100 0.000 1.101 577 Q CA -0.966 54.884 55.803 0.079 0.000 0.830 577 Q CB 2.019 30.773 28.738 0.027 0.000 1.402 577 Q HN -0.147 nan 8.270 nan 0.000 0.445 578 K N 2.109 122.528 120.400 0.032 0.000 2.130 578 K HA 0.442 4.764 4.320 0.003 0.000 0.268 578 K C -2.296 174.215 176.600 -0.149 0.000 0.983 578 K CA -1.829 54.462 56.287 0.005 0.000 0.893 578 K CB 0.754 33.259 32.500 0.009 0.000 1.066 578 K HN 0.463 nan 8.250 nan 0.000 0.450 579 P HA -0.019 nan 4.420 nan 0.000 0.272 579 P C 0.604 177.866 177.300 -0.064 0.000 1.240 579 P CA -0.187 62.567 63.100 -0.577 0.000 0.791 579 P CB 0.512 31.441 31.700 -1.285 0.000 0.978 580 Y N 1.550 121.868 120.300 0.030 0.000 2.151 580 Y HA -0.173 4.379 4.550 0.003 0.000 0.284 580 Y C 1.798 177.708 175.900 0.018 0.000 1.166 580 Y CA 2.523 60.642 58.100 0.032 0.000 1.163 580 Y CB -0.540 37.943 38.460 0.039 0.000 0.974 580 Y HN 0.665 nan 8.280 nan 0.000 0.511 581 G N -0.558 108.218 108.800 -0.040 0.000 2.184 581 G HA2 -0.340 3.622 3.960 0.003 0.000 0.206 581 G HA3 -0.340 3.622 3.960 0.003 0.000 0.206 581 G C 0.987 175.750 174.900 -0.228 0.000 0.995 581 G CA 0.320 45.348 45.100 -0.120 0.000 0.651 581 G HN 0.470 nan 8.290 nan 0.000 0.511 582 M N -0.779 118.682 119.600 -0.232 0.000 2.267 582 M HA 0.156 4.638 4.480 0.003 0.000 0.263 582 M C 0.759 176.597 176.300 -0.769 0.000 1.063 582 M CA 1.468 56.502 55.300 -0.444 0.000 1.090 582 M CB -0.039 32.356 32.600 -0.342 0.000 1.392 582 M HN 0.352 nan 8.290 nan 0.000 0.422 583 W N -0.294 120.839 121.300 -0.278 0.000 2.736 583 W HA 0.326 4.987 4.660 0.003 0.000 0.355 583 W C -0.652 175.585 176.519 -0.470 0.000 1.102 583 W CA -0.778 56.219 57.345 -0.580 0.000 1.164 583 W CB 0.473 29.237 29.460 -1.161 0.000 1.422 583 W HN -0.122 nan 8.180 nan 0.000 0.572 584 D N 0.582 120.861 120.400 -0.201 0.000 2.365 584 D HA 0.117 4.759 4.640 0.003 0.000 0.237 584 D C -0.028 176.308 176.300 0.061 0.000 1.190 584 D CA -0.240 53.748 54.000 -0.019 0.000 0.867 584 D CB 0.434 41.241 40.800 0.012 0.000 1.050 584 D HN 0.336 nan 8.370 nan 0.000 0.491 585 W N 2.081 123.557 121.300 0.293 0.000 2.640 585 W HA 0.049 4.712 4.660 0.004 0.000 0.268 585 W C 1.685 178.335 176.519 0.218 0.000 1.263 585 W CA -0.238 57.301 57.345 0.324 0.000 1.344 585 W CB 0.277 29.979 29.460 0.402 0.000 1.093 585 W HN 0.350 nan 8.180 nan 0.000 0.603 586 D N -0.137 120.469 120.400 0.344 0.000 2.104 586 D HA -0.170 4.472 4.640 0.003 0.000 0.194 586 D C 2.044 178.446 176.300 0.169 0.000 0.994 586 D CA 2.194 56.330 54.000 0.227 0.000 0.830 586 D CB -0.903 39.992 40.800 0.158 0.000 0.959 586 D HN 0.013 nan 8.370 nan 0.000 0.452 587 T N 1.136 115.773 114.554 0.139 0.000 2.708 587 T HA -0.126 4.225 4.350 0.003 0.000 0.266 587 T C 1.889 176.641 174.700 0.087 0.000 1.037 587 T CA 0.577 62.736 62.100 0.098 0.000 1.146 587 T CB -0.365 68.551 68.868 0.080 0.000 0.865 587 T HN 0.018 nan 8.240 nan 0.000 0.435 588 L N 1.604 122.872 121.223 0.075 0.000 1.994 588 L HA 0.019 4.361 4.340 0.003 0.000 0.208 588 L C 2.516 179.431 176.870 0.076 0.000 1.071 588 L CA 1.813 56.649 54.840 -0.007 0.000 0.745 588 L CB -0.684 41.239 42.059 -0.228 0.000 0.892 588 L HN 0.074 nan 8.230 nan 0.000 0.431 589 R N -0.282 120.321 120.500 0.171 0.000 2.091 589 R HA -0.239 4.103 4.340 0.003 0.000 0.238 589 R C 2.454 178.826 176.300 0.119 0.000 1.136 589 R CA 1.956 58.158 56.100 0.170 0.000 0.959 589 R CB -0.295 30.134 30.300 0.214 0.000 0.856 589 R HN 0.469 nan 8.270 nan 0.000 0.437 590 K N 0.250 120.715 120.400 0.107 0.000 2.009 590 K HA -0.183 4.139 4.320 0.003 0.000 0.210 590 K C 1.419 178.055 176.600 0.061 0.000 1.049 590 K CA 2.118 58.450 56.287 0.075 0.000 0.929 590 K CB -0.140 32.402 32.500 0.070 0.000 0.714 590 K HN 0.177 nan 8.250 nan 0.000 0.440 591 D N 0.831 121.279 120.400 0.079 0.000 2.117 591 D HA -0.155 4.487 4.640 0.003 0.000 0.197 591 D C 2.014 178.378 176.300 0.106 0.000 0.987 591 D CA 1.194 55.265 54.000 0.119 0.000 0.829 591 D CB -0.152 40.727 40.800 0.131 0.000 0.961 591 D HN 0.336 nan 8.370 nan 0.000 0.460 592 I N 0.550 121.171 120.570 0.085 0.000 2.179 592 I HA -0.266 3.906 4.170 0.003 0.000 0.242 592 I C 2.487 178.684 176.117 0.133 0.000 1.088 592 I CA 0.936 62.289 61.300 0.089 0.000 1.357 592 I CB -0.238 37.835 38.000 0.122 0.000 1.051 592 I HN -0.044 nan 8.210 nan 0.000 0.409 593 M N 0.108 119.785 119.600 0.128 0.000 2.279 593 M HA -0.205 4.277 4.480 0.003 0.000 0.264 593 M C 2.220 178.557 176.300 0.061 0.000 1.062 593 M CA 1.506 56.886 55.300 0.134 0.000 1.099 593 M CB -0.300 32.346 32.600 0.076 0.000 1.394 593 M HN 0.067 nan 8.290 nan 0.000 0.426 594 K N 0.335 120.708 120.400 -0.046 0.000 2.005 594 K HA -0.084 4.238 4.320 0.003 0.000 0.206 594 K C 1.221 177.614 176.600 -0.344 0.000 1.044 594 K CA 1.792 57.929 56.287 -0.251 0.000 0.942 594 K CB -0.158 32.087 32.500 -0.425 0.000 0.727 594 K HN 0.397 nan 8.250 nan 0.000 0.439 595 H N -1.119 117.930 119.070 -0.035 0.000 2.705 595 H HA 0.391 4.948 4.556 0.003 0.000 0.269 595 H C 0.630 175.803 175.328 -0.259 0.000 0.998 595 H CA 0.104 56.091 56.048 -0.101 0.000 1.193 595 H CB 0.864 30.575 29.762 -0.086 0.000 1.485 595 H HN 0.479 nan 8.280 nan 0.000 0.521 596 G N 0.700 109.339 108.800 -0.269 0.000 2.741 596 G HA2 -0.151 3.811 3.960 0.003 0.000 0.222 596 G HA3 -0.151 3.811 3.960 0.003 0.000 0.222 596 G C -0.531 174.037 174.900 -0.553 0.000 1.364 596 G CA -0.347 44.159 45.100 -0.990 0.000 0.866 596 G HN 0.720 nan 8.290 nan 0.000 0.555 597 V N -3.714 115.827 119.914 -0.622 0.000 2.925 597 V HA 0.869 4.990 4.120 0.003 0.000 0.311 597 V C 1.111 177.213 176.094 0.013 0.000 1.104 597 V CA -0.004 62.211 62.300 -0.142 0.000 0.954 597 V CB 1.766 33.624 31.823 0.058 0.000 1.022 597 V HN 1.216 nan 8.190 nan 0.000 0.427 598 R N 2.101 122.633 120.500 0.053 0.000 2.189 598 R HA 0.166 4.508 4.340 0.003 0.000 0.218 598 R C 0.185 176.605 176.300 0.200 0.000 1.074 598 R CA 1.187 57.359 56.100 0.120 0.000 0.991 598 R CB -0.572 29.755 30.300 0.045 0.000 0.883 598 R HN 0.927 nan 8.270 nan 0.000 0.457 599 N N -1.341 117.444 118.700 0.142 0.000 2.314 599 N HA 0.096 4.838 4.740 0.003 0.000 0.294 599 N C 0.024 175.421 175.510 -0.190 0.000 1.029 599 N CA 0.024 53.053 53.050 -0.035 0.000 0.845 599 N CB 2.103 40.584 38.487 -0.010 0.000 1.321 599 N HN -0.001 nan 8.380 nan 0.000 0.481 600 S N 1.552 116.836 115.700 -0.694 0.000 2.453 600 S HA 0.095 4.566 4.470 0.003 0.000 0.231 600 S C 0.369 174.893 174.600 -0.126 0.000 1.005 600 S CA 0.579 58.383 58.200 -0.661 0.000 0.949 600 S CB -0.227 62.488 63.200 -0.808 0.000 0.774 600 S HN 0.462 nan 8.310 nan 0.000 0.510 601 L N -0.406 120.773 121.223 -0.074 0.000 2.540 601 L HA 0.467 4.809 4.340 0.003 0.000 0.256 601 L C 0.411 177.309 176.870 0.046 0.000 1.001 601 L CA -0.066 54.788 54.840 0.025 0.000 0.843 601 L CB 2.316 44.379 42.059 0.007 0.000 1.436 601 L HN 0.205 nan 8.230 nan 0.000 0.410 602 T N -3.697 110.917 114.554 0.099 0.000 3.074 602 T HA 0.362 4.713 4.350 0.003 0.000 0.258 602 T C 0.160 174.918 174.700 0.097 0.000 0.891 602 T CA -0.204 61.954 62.100 0.096 0.000 0.867 602 T CB 0.466 69.414 68.868 0.133 0.000 1.261 602 T HN 0.211 nan 8.240 nan 0.000 0.537 603 M N 1.795 121.459 119.600 0.106 0.000 2.364 603 M HA 0.794 5.276 4.480 0.003 0.000 0.334 603 M C -0.943 175.390 176.300 0.055 0.000 1.107 603 M CA -0.697 54.656 55.300 0.087 0.000 0.988 603 M CB 1.409 34.059 32.600 0.084 0.000 1.673 603 M HN 0.342 nan 8.290 nan 0.000 0.441 604 A N 3.903 126.764 122.820 0.068 0.000 2.730 604 A HA 0.541 4.863 4.320 0.003 0.000 0.280 604 A C -2.804 174.850 177.584 0.117 0.000 1.307 604 A CA -0.903 51.175 52.037 0.069 0.000 0.933 604 A CB 0.101 19.130 19.000 0.048 0.000 1.431 604 A HN 0.469 nan 8.150 nan 0.000 0.601 605 P HA 0.115 nan 4.420 nan 0.000 0.257 605 P C 0.425 177.957 177.300 0.386 0.000 1.189 605 P CA 0.622 63.911 63.100 0.316 0.000 0.780 605 P CB 0.249 32.136 31.700 0.311 0.000 0.772 606 M N 5.372 125.126 119.600 0.258 0.000 2.513 606 M HA 0.487 4.969 4.480 0.003 0.000 0.291 606 M C -2.140 174.226 176.300 0.110 0.000 1.190 606 M CA -2.636 52.754 55.300 0.150 0.000 0.960 606 M CB -0.436 32.207 32.600 0.072 0.000 1.517 606 M HN -0.084 nan 8.290 nan 0.000 0.499 607 P HA -0.088 nan 4.420 nan 0.000 0.218 607 P C 0.301 177.612 177.300 0.019 0.000 1.148 607 P CA 3.141 66.251 63.100 0.017 0.000 0.822 607 P CB -0.296 31.458 31.700 0.090 0.000 0.784 608 T N -4.538 110.044 114.554 0.047 0.000 4.040 608 T HA -0.315 4.036 4.350 0.003 0.000 0.341 608 T C 1.112 175.849 174.700 0.062 0.000 0.758 608 T CA 0.617 62.749 62.100 0.054 0.000 1.893 608 T CB -2.304 66.597 68.868 0.055 0.000 1.886 608 T HN 0.286 nan 8.240 nan 0.000 0.833 609 A N 0.694 123.560 122.820 0.076 0.000 1.927 609 A HA -0.025 4.297 4.320 0.003 0.000 0.220 609 A C 2.649 180.293 177.584 0.100 0.000 1.185 609 A CA 2.489 54.581 52.037 0.092 0.000 0.639 609 A CB -0.848 18.215 19.000 0.106 0.000 0.820 609 A HN 0.892 nan 8.150 nan 0.000 0.451 610 S N -1.508 114.249 115.700 0.094 0.000 2.460 610 S HA -0.043 4.429 4.470 0.003 0.000 0.226 610 S C 2.138 176.732 174.600 -0.010 0.000 1.057 610 S CA 1.111 59.359 58.200 0.080 0.000 0.948 610 S CB -0.338 62.963 63.200 0.169 0.000 0.822 610 S HN 0.867 nan 8.310 nan 0.000 0.512 611 T N 1.750 116.301 114.554 -0.004 0.000 2.833 611 T HA -0.095 4.257 4.350 0.003 0.000 0.269 611 T C 1.987 176.675 174.700 -0.021 0.000 1.054 611 T CA 1.530 63.597 62.100 -0.055 0.000 1.135 611 T CB -0.625 68.236 68.868 -0.011 0.000 0.869 611 T HN 0.435 nan 8.240 nan 0.000 0.466 612 S N 1.384 117.104 115.700 0.033 0.000 2.428 612 S HA -0.081 4.391 4.470 0.003 0.000 0.230 612 S C 2.152 176.779 174.600 0.044 0.000 1.014 612 S CA 0.478 58.724 58.200 0.078 0.000 0.957 612 S CB -0.563 62.700 63.200 0.105 0.000 0.784 612 S HN 0.595 nan 8.310 nan 0.000 0.499 613 Q N 0.496 120.306 119.800 0.017 0.000 2.230 613 Q HA 0.153 4.495 4.340 0.003 0.000 0.202 613 Q C 1.983 177.906 176.000 -0.127 0.000 0.963 613 Q CA 1.211 57.016 55.803 0.003 0.000 0.866 613 Q CB -0.330 28.406 28.738 -0.003 0.000 0.931 613 Q HN 0.658 nan 8.270 nan 0.000 0.452 614 I N 0.030 120.500 120.570 -0.167 0.000 2.406 614 I HA -0.201 3.971 4.170 0.003 0.000 0.249 614 I C 1.738 177.836 176.117 -0.032 0.000 1.122 614 I CA 0.869 62.060 61.300 -0.183 0.000 1.431 614 I CB -0.008 37.818 38.000 -0.289 0.000 1.087 614 I HN 0.185 nan 8.210 nan 0.000 0.424 615 L N 0.405 121.582 121.223 -0.077 0.000 2.509 615 L HA 0.207 4.549 4.340 0.003 0.000 0.222 615 L C 1.488 178.047 176.870 -0.518 0.000 1.123 615 L CA 0.640 55.364 54.840 -0.194 0.000 0.856 615 L CB -0.462 41.583 42.059 -0.024 0.000 0.985 615 L HN 0.498 nan 8.230 nan 0.000 0.456 616 G N -0.421 108.184 108.800 -0.325 0.000 2.137 616 G HA2 -0.292 3.669 3.960 0.003 0.000 0.237 616 G HA3 -0.292 3.669 3.960 0.003 0.000 0.237 616 G C -0.150 174.532 174.900 -0.364 0.000 1.002 616 G CA -0.159 44.748 45.100 -0.321 0.000 0.702 616 G HN 0.342 nan 8.290 nan 0.000 0.515 617 Y N -0.535 119.802 120.300 0.061 0.000 2.631 617 Y HA 0.583 5.135 4.550 0.003 0.000 0.328 617 Y C 0.823 176.773 175.900 0.083 0.000 1.118 617 Y CA -1.161 56.987 58.100 0.080 0.000 1.206 617 Y CB 0.766 39.258 38.460 0.053 0.000 1.337 617 Y HN 0.093 nan 8.280 nan 0.000 0.515 618 N N 0.876 119.741 118.700 0.275 0.000 2.444 618 N HA 0.005 4.747 4.740 0.003 0.000 0.255 618 N C -1.011 174.571 175.510 0.120 0.000 1.255 618 N CA -0.189 52.961 53.050 0.167 0.000 0.933 618 N CB 0.670 39.246 38.487 0.149 0.000 1.143 618 N HN 0.658 nan 8.380 nan 0.000 0.453 619 E N 0.961 121.202 120.200 0.068 0.000 2.414 619 E HA 0.019 4.371 4.350 0.003 0.000 0.263 619 E C 1.286 177.845 176.600 -0.068 0.000 1.000 619 E CA -0.012 56.397 56.400 0.015 0.000 0.914 619 E CB 0.047 29.746 29.700 -0.001 0.000 0.948 619 E HN 0.732 nan 8.360 nan 0.000 0.444 620 C N 2.394 121.645 119.300 -0.082 0.000 1.350 620 C HA -0.352 4.110 4.460 0.003 0.000 0.105 620 C C 1.460 176.416 174.990 -0.056 0.000 0.627 620 C CA 1.387 60.319 59.018 -0.143 0.000 1.058 620 C CB -1.771 25.656 27.740 -0.522 0.000 2.903 620 C HN 0.911 nan 8.230 nan 0.000 0.992 621 F N 3.275 123.349 119.950 0.207 0.000 2.654 621 F HA 0.512 5.041 4.527 0.003 0.000 0.303 621 F C 0.542 176.538 175.800 0.326 0.000 1.099 621 F CA -0.081 58.076 58.000 0.262 0.000 1.270 621 F CB -0.938 38.243 39.000 0.302 0.000 1.024 621 F HN 0.860 nan 8.300 nan 0.000 0.548 622 E N 1.047 121.287 120.200 0.067 0.000 2.227 622 E HA 0.529 4.880 4.350 0.003 0.000 0.268 622 E C -2.930 173.652 176.600 -0.030 0.000 0.990 622 E CA -2.461 53.979 56.400 0.068 0.000 0.856 622 E CB 1.039 30.709 29.700 -0.049 0.000 1.159 622 E HN -0.055 nan 8.360 nan 0.000 0.401 623 P HA -0.033 nan 4.420 nan 0.000 0.271 623 P C -0.545 176.627 177.300 -0.214 0.000 1.233 623 P CA -0.412 62.430 63.100 -0.430 0.000 0.789 623 P CB 0.445 31.646 31.700 -0.832 0.000 0.951 624 V N 1.155 121.033 119.914 -0.059 0.000 2.655 624 V HA -0.023 4.099 4.120 0.003 0.000 0.300 624 V C 1.847 177.880 176.094 -0.102 0.000 1.044 624 V CA 1.019 63.312 62.300 -0.012 0.000 1.095 624 V CB 0.206 32.092 31.823 0.105 0.000 0.952 624 V HN 0.792 nan 8.190 nan 0.000 0.485 625 T N 0.127 114.629 114.554 -0.087 0.000 2.978 625 T HA 0.055 4.407 4.350 0.003 0.000 0.262 625 T C 0.756 175.533 174.700 0.129 0.000 1.063 625 T CA 0.787 62.842 62.100 -0.075 0.000 1.140 625 T CB 0.197 69.065 68.868 -0.000 0.000 0.886 625 T HN 0.672 nan 8.240 nan 0.000 0.470 626 S N -0.463 115.303 115.700 0.109 0.000 2.550 626 S HA 0.397 4.869 4.470 0.003 0.000 0.270 626 S C -0.683 173.978 174.600 0.103 0.000 1.145 626 S CA -0.885 57.390 58.200 0.125 0.000 0.852 626 S CB 1.283 64.553 63.200 0.116 0.000 1.119 626 S HN 0.158 nan 8.310 nan 0.000 0.465 627 N N 1.880 120.640 118.700 0.101 0.000 2.322 627 N HA 0.190 4.932 4.740 0.003 0.000 0.194 627 N C -0.201 175.338 175.510 0.048 0.000 1.126 627 N CA 0.334 53.427 53.050 0.072 0.000 0.845 627 N CB 0.075 38.597 38.487 0.058 0.000 0.976 627 N HN 0.484 nan 8.380 nan 0.000 0.475 639 Q N 2.093 122.010 119.800 0.194 0.000 2.316 639 Q HA 0.831 5.173 4.340 0.003 0.000 0.264 639 Q C -1.272 174.797 176.000 0.115 0.000 0.987 639 Q CA -0.832 55.039 55.803 0.113 0.000 0.852 639 Q CB 2.643 31.427 28.738 0.077 0.000 1.287 639 Q HN 0.364 nan 8.270 nan 0.000 0.448 640 V N 2.256 122.210 119.914 0.066 0.000 2.462 640 V HA 0.322 4.444 4.120 0.003 0.000 0.288 640 V C -0.779 175.319 176.094 0.006 0.000 1.020 640 V CA -0.879 61.441 62.300 0.033 0.000 0.857 640 V CB 1.768 33.599 31.823 0.015 0.000 1.013 640 V HN 0.646 nan 8.190 nan 0.000 0.431 641 V N 5.324 125.232 119.914 -0.010 0.000 2.686 641 V HA 0.328 4.450 4.120 0.003 0.000 0.295 641 V C 0.859 176.885 176.094 -0.113 0.000 1.055 641 V CA -0.229 62.045 62.300 -0.044 0.000 1.050 641 V CB 1.487 33.270 31.823 -0.068 0.000 0.984 641 V HN 0.993 nan 8.190 nan 0.000 0.482 642 N N 8.173 126.815 118.700 -0.097 0.000 2.132 642 N HA -0.032 4.710 4.740 0.003 0.000 0.280 642 N C -1.329 174.043 175.510 -0.229 0.000 1.318 642 N CA -0.161 52.824 53.050 -0.108 0.000 0.822 642 N CB 1.188 39.630 38.487 -0.075 0.000 1.058 642 N HN 0.568 nan 8.380 nan 0.000 0.489 643 P HA -0.183 nan 4.420 nan 0.000 0.216 643 P C 0.685 177.712 177.300 -0.455 0.000 1.150 643 P CA 1.713 64.535 63.100 -0.462 0.000 0.837 643 P CB -0.070 31.251 31.700 -0.632 0.000 0.786 644 Y N -0.565 119.693 120.300 -0.069 0.000 2.286 644 Y HA -0.030 4.522 4.550 0.003 0.000 0.293 644 Y C 2.658 178.447 175.900 -0.186 0.000 1.124 644 Y CA 0.108 58.197 58.100 -0.018 0.000 1.178 644 Y CB -1.336 37.235 38.460 0.185 0.000 1.010 644 Y HN -0.140 nan 8.280 nan 0.000 0.536 645 L N -0.055 120.950 121.223 -0.365 0.000 2.093 645 L HA -0.131 4.211 4.340 0.003 0.000 0.208 645 L C 2.100 178.733 176.870 -0.396 0.000 1.085 645 L CA 1.250 55.691 54.840 -0.665 0.000 0.755 645 L CB -0.882 40.743 42.059 -0.723 0.000 0.904 645 L HN 0.259 nan 8.230 nan 0.000 0.435 646 L N -0.007 120.966 121.223 -0.417 0.000 1.955 646 L HA -0.219 4.123 4.340 0.003 0.000 0.213 646 L C 2.781 179.406 176.870 -0.408 0.000 1.072 646 L CA 2.284 56.778 54.840 -0.576 0.000 0.755 646 L CB -0.943 40.791 42.059 -0.542 0.000 0.888 646 L HN 0.384 nan 8.230 nan 0.000 0.432 647 R N 0.208 120.557 120.500 -0.253 0.000 2.136 647 R HA -0.245 4.097 4.340 0.003 0.000 0.242 647 R C 1.947 178.201 176.300 -0.076 0.000 1.131 647 R CA 2.470 58.490 56.100 -0.133 0.000 0.937 647 R CB -1.161 29.110 30.300 -0.049 0.000 0.863 647 R HN 0.550 nan 8.270 nan 0.000 0.435 648 D N 0.036 120.418 120.400 -0.030 0.000 2.123 648 D HA -0.148 4.494 4.640 0.003 0.000 0.196 648 D C 1.976 178.286 176.300 0.016 0.000 0.992 648 D CA 1.579 55.598 54.000 0.032 0.000 0.833 648 D CB -0.229 40.643 40.800 0.121 0.000 0.954 648 D HN 0.328 nan 8.370 nan 0.000 0.455 649 L N 0.344 121.546 121.223 -0.034 0.000 2.275 649 L HA -0.095 4.247 4.340 0.003 0.000 0.215 649 L C 2.349 179.285 176.870 0.111 0.000 1.119 649 L CA 0.326 55.200 54.840 0.057 0.000 0.790 649 L CB -0.108 42.010 42.059 0.098 0.000 0.919 649 L HN -0.047 nan 8.230 nan 0.000 0.443 650 V N -0.732 119.178 119.914 -0.006 0.000 2.379 650 V HA -0.181 3.941 4.120 0.003 0.000 0.243 650 V C 1.636 177.761 176.094 0.052 0.000 1.035 650 V CA 1.444 63.768 62.300 0.040 0.000 1.035 650 V CB -0.347 31.439 31.823 -0.062 0.000 0.673 650 V HN 0.340 nan 8.190 nan 0.000 0.457 651 D N 0.056 120.472 120.400 0.026 0.000 2.403 651 D HA -0.044 4.598 4.640 0.003 0.000 0.227 651 D C 1.507 177.834 176.300 0.045 0.000 0.995 651 D CA 0.942 54.961 54.000 0.033 0.000 0.928 651 D CB 0.032 40.850 40.800 0.029 0.000 0.887 651 D HN 0.366 nan 8.370 nan 0.000 0.529 652 L N -1.814 119.445 121.223 0.060 0.000 2.817 652 L HA 0.247 4.589 4.340 0.003 0.000 0.248 652 L C 1.814 178.725 176.870 0.068 0.000 1.133 652 L CA 0.257 55.134 54.840 0.061 0.000 0.935 652 L CB 0.502 42.600 42.059 0.066 0.000 1.266 652 L HN 0.107 nan 8.230 nan 0.000 0.535 653 G N 1.893 110.746 108.800 0.088 0.000 2.412 653 G HA2 -0.410 3.552 3.960 0.003 0.000 0.252 653 G HA3 -0.410 3.552 3.960 0.003 0.000 0.252 653 G C 1.109 176.073 174.900 0.107 0.000 1.038 653 G CA 0.866 46.022 45.100 0.093 0.000 0.628 653 G HN 0.517 nan 8.290 nan 0.000 0.531 654 I N -2.188 118.441 120.570 0.099 0.000 2.908 654 I HA 0.012 4.184 4.170 0.003 0.000 0.271 654 I C 1.396 177.584 176.117 0.118 0.000 1.275 654 I CA 0.635 61.984 61.300 0.082 0.000 1.446 654 I CB -0.170 37.872 38.000 0.069 0.000 1.092 654 I HN 0.409 nan 8.210 nan 0.000 0.482 655 W N 5.330 126.621 121.300 -0.015 0.000 2.507 655 W HA 0.179 4.840 4.660 0.003 0.000 0.334 655 W C -0.587 175.925 176.519 -0.012 0.000 1.165 655 W CA -0.330 57.005 57.345 -0.018 0.000 1.460 655 W CB 0.435 29.884 29.460 -0.019 0.000 1.404 655 W HN 0.406 nan 8.180 nan 0.000 0.435 656 D N 2.663 122.746 120.400 -0.528 0.000 3.180 656 D HA 0.082 4.723 4.640 0.003 0.000 0.226 656 D C 0.755 176.638 176.300 -0.696 0.000 1.252 656 D CA 0.274 53.983 54.000 -0.484 0.000 1.287 656 D CB 0.130 40.787 40.800 -0.239 0.000 0.919 656 D HN 0.232 nan 8.370 nan 0.000 0.186 657 E N -0.999 118.931 120.200 -0.450 0.000 2.576 657 E HA 0.228 4.580 4.350 0.003 0.000 0.214 657 E C 1.730 178.172 176.600 -0.263 0.000 0.859 657 E CA 0.492 56.668 56.400 -0.374 0.000 1.399 657 E CB 0.125 29.695 29.700 -0.217 0.000 1.374 657 E HN 0.328 nan 8.360 nan 0.000 0.718 658 G N 0.991 109.669 108.800 -0.203 0.000 2.708 658 G HA2 -0.078 3.884 3.960 0.003 0.000 0.210 658 G HA3 -0.078 3.884 3.960 0.003 0.000 0.210 658 G C 1.074 175.930 174.900 -0.073 0.000 1.141 658 G CA 0.664 45.706 45.100 -0.097 0.000 0.788 658 G HN 0.128 nan 8.290 nan 0.000 0.531 659 M N -0.516 118.963 119.600 -0.202 0.000 2.962 659 M HA 0.237 4.719 4.480 0.003 0.000 0.242 659 M C 2.223 178.505 176.300 -0.029 0.000 1.396 659 M CA 0.386 55.612 55.300 -0.124 0.000 1.287 659 M CB -0.979 31.486 32.600 -0.224 0.000 1.168 659 M HN -0.014 nan 8.290 nan 0.000 0.557 660 K N 1.110 121.358 120.400 -0.254 0.000 2.173 660 K HA -0.211 4.111 4.320 0.003 0.000 0.207 660 K C 1.881 178.508 176.600 0.046 0.000 1.046 660 K CA 1.570 57.855 56.287 -0.003 0.000 0.929 660 K CB -0.213 32.236 32.500 -0.084 0.000 0.720 660 K HN 0.339 nan 8.250 nan 0.000 0.453 661 Q N -0.540 119.262 119.800 0.003 0.000 2.137 661 Q HA -0.139 4.203 4.340 0.003 0.000 0.198 661 Q C 1.960 178.002 176.000 0.070 0.000 0.960 661 Q CA 1.051 56.867 55.803 0.022 0.000 0.847 661 Q CB -0.293 28.440 28.738 -0.009 0.000 0.915 661 Q HN 0.352 nan 8.270 nan 0.000 0.448 662 Y N 1.362 121.651 120.300 -0.019 0.000 2.070 662 Y HA -0.235 4.317 4.550 0.003 0.000 0.279 662 Y C 2.239 178.153 175.900 0.024 0.000 1.134 662 Y CA 1.840 59.941 58.100 0.003 0.000 1.113 662 Y CB -0.640 37.825 38.460 0.009 0.000 0.981 662 Y HN 0.049 nan 8.280 nan 0.000 0.487 663 L N 0.381 121.847 121.223 0.405 0.000 1.991 663 L HA -0.330 4.012 4.340 0.003 0.000 0.221 663 L C 2.593 179.538 176.870 0.125 0.000 1.079 663 L CA 2.424 57.434 54.840 0.284 0.000 0.778 663 L CB -1.150 41.055 42.059 0.243 0.000 0.893 663 L HN 0.474 nan 8.230 nan 0.000 0.437 664 I N -3.291 117.331 120.570 0.087 0.000 2.335 664 I HA -0.247 3.924 4.170 0.003 0.000 0.251 664 I C 2.295 178.404 176.117 -0.013 0.000 1.129 664 I CA 1.855 63.177 61.300 0.036 0.000 1.402 664 I CB -0.996 37.022 38.000 0.029 0.000 1.069 664 I HN 0.184 nan 8.210 nan 0.000 0.424 665 T N 0.063 114.585 114.554 -0.054 0.000 2.851 665 T HA -0.071 4.281 4.350 0.003 0.000 0.262 665 T C 1.520 176.125 174.700 -0.158 0.000 1.043 665 T CA 1.129 63.159 62.100 -0.116 0.000 1.140 665 T CB -0.127 68.644 68.868 -0.162 0.000 0.872 665 T HN 0.254 nan 8.240 nan 0.000 0.446 666 Q N 1.621 121.293 119.800 -0.214 0.000 2.253 666 Q HA 0.243 4.585 4.340 0.003 0.000 0.210 666 Q C -0.245 175.727 176.000 -0.047 0.000 0.907 666 Q CA -0.144 55.547 55.803 -0.187 0.000 0.948 666 Q CB -0.650 27.895 28.738 -0.321 0.000 1.033 666 Q HN 0.259 nan 8.270 nan 0.000 0.471 667 N N 0.139 118.819 118.700 -0.034 0.000 2.708 667 N HA -0.179 4.563 4.740 0.003 0.000 0.255 667 N C 0.309 175.854 175.510 0.058 0.000 1.046 667 N CA 1.016 54.062 53.050 -0.006 0.000 0.715 667 N CB -1.367 37.083 38.487 -0.063 0.000 0.895 667 N HN 0.578 nan 8.380 nan 0.000 0.545 668 G N -0.701 108.152 108.800 0.088 0.000 2.361 668 G HA2 -0.325 3.637 3.960 0.003 0.000 0.294 668 G HA3 -0.325 3.637 3.960 0.003 0.000 0.294 668 G C 0.126 175.116 174.900 0.149 0.000 1.004 668 G CA 1.062 46.234 45.100 0.120 0.000 0.870 668 G HN 0.862 nan 8.290 nan 0.000 0.510 669 S N -0.427 115.380 115.700 0.179 0.000 2.475 669 S HA 0.651 5.123 4.470 0.003 0.000 0.298 669 S C 1.182 175.955 174.600 0.287 0.000 1.119 669 S CA -0.396 57.926 58.200 0.204 0.000 1.085 669 S CB 0.874 64.175 63.200 0.170 0.000 1.028 669 S HN 0.968 nan 8.310 nan 0.000 0.489 670 I N 1.770 122.459 120.570 0.197 0.000 4.154 670 I HA 0.329 4.501 4.170 0.003 0.000 0.334 670 I C 0.132 176.297 176.117 0.079 0.000 1.371 670 I CA -0.211 61.148 61.300 0.098 0.000 1.110 670 I CB -0.852 37.181 38.000 0.054 0.000 1.085 670 I HN 0.469 nan 8.210 nan 0.000 0.398 671 Q N 1.980 121.864 119.800 0.139 0.000 2.535 671 Q HA 0.254 4.595 4.340 0.003 0.000 0.228 671 Q C 1.193 177.271 176.000 0.131 0.000 1.062 671 Q CA 0.974 56.845 55.803 0.115 0.000 0.967 671 Q CB -0.021 28.786 28.738 0.116 0.000 1.273 671 Q HN 0.542 nan 8.270 nan 0.000 0.554 672 G N 0.480 109.340 108.800 0.100 0.000 2.361 672 G HA2 -0.278 3.684 3.960 0.003 0.000 0.294 672 G HA3 -0.278 3.684 3.960 0.003 0.000 0.294 672 G C -0.246 174.726 174.900 0.121 0.000 1.004 672 G CA 0.664 45.831 45.100 0.112 0.000 0.870 672 G HN 0.441 nan 8.290 nan 0.000 0.510 673 L N -0.667 120.563 121.223 0.011 0.000 2.305 673 L HA 0.467 4.809 4.340 0.003 0.000 0.284 673 L C -0.521 176.301 176.870 -0.081 0.000 1.013 673 L CA -2.367 52.379 54.840 -0.157 0.000 0.819 673 L CB 1.674 43.462 42.059 -0.452 0.000 1.227 673 L HN -0.058 nan 8.230 nan 0.000 0.417 674 P HA -0.206 nan 4.420 nan 0.000 0.210 674 P C -0.043 177.246 177.300 -0.020 0.000 1.151 674 P CA 1.417 64.505 63.100 -0.019 0.000 0.949 674 P CB 0.139 31.833 31.700 -0.009 0.000 0.786 675 N N -0.296 118.386 118.700 -0.030 0.000 3.052 675 N HA 0.157 4.899 4.740 0.003 0.000 0.302 675 N C -1.064 174.444 175.510 -0.003 0.000 1.332 675 N CA 0.213 53.256 53.050 -0.011 0.000 1.129 675 N CB 0.050 38.533 38.487 -0.006 0.000 1.436 675 N HN -0.045 nan 8.380 nan 0.000 0.536 676 V N 1.780 121.692 119.914 -0.003 0.000 2.525 676 V HA 0.352 4.474 4.120 0.003 0.000 0.299 676 V C -2.184 173.929 176.094 0.032 0.000 1.034 676 V CA -1.819 60.492 62.300 0.018 0.000 0.863 676 V CB 2.478 34.303 31.823 0.003 0.000 0.999 676 V HN 0.090 nan 8.190 nan 0.000 0.423 677 P HA 0.082 nan 4.420 nan 0.000 0.266 677 P C 0.546 177.875 177.300 0.047 0.000 1.195 677 P CA 0.022 63.148 63.100 0.043 0.000 0.768 677 P CB 0.685 32.414 31.700 0.048 0.000 0.838 678 Q N 2.907 122.728 119.800 0.035 0.000 2.152 678 Q HA -0.268 4.074 4.340 0.003 0.000 0.206 678 Q C 1.779 177.797 176.000 0.030 0.000 0.985 678 Q CA 1.804 57.627 55.803 0.033 0.000 0.863 678 Q CB -0.645 28.107 28.738 0.024 0.000 0.904 678 Q HN 0.487 nan 8.270 nan 0.000 0.422 679 E N -0.469 119.747 120.200 0.025 0.000 2.160 679 E HA -0.174 4.178 4.350 0.003 0.000 0.195 679 E C 1.684 178.289 176.600 0.008 0.000 0.991 679 E CA 1.082 57.488 56.400 0.009 0.000 0.810 679 E CB -0.061 29.645 29.700 0.011 0.000 0.742 679 E HN 0.489 nan 8.360 nan 0.000 0.466 680 L N -0.089 121.174 121.223 0.066 0.000 2.209 680 L HA -0.065 4.277 4.340 0.003 0.000 0.207 680 L C 2.547 179.521 176.870 0.174 0.000 1.094 680 L CA 0.680 55.613 54.840 0.156 0.000 0.790 680 L CB -0.200 42.006 42.059 0.244 0.000 0.932 680 L HN -0.007 nan 8.230 nan 0.000 0.447 681 K N 0.047 120.517 120.400 0.116 0.000 2.097 681 K HA -0.149 4.173 4.320 0.003 0.000 0.205 681 K C 1.583 178.227 176.600 0.073 0.000 1.050 681 K CA 1.265 57.618 56.287 0.110 0.000 0.938 681 K CB -0.050 32.496 32.500 0.077 0.000 0.718 681 K HN 0.241 nan 8.250 nan 0.000 0.442 682 D N 0.848 121.264 120.400 0.026 0.000 2.144 682 D HA -0.123 4.519 4.640 0.003 0.000 0.200 682 D C 1.822 178.094 176.300 -0.048 0.000 0.978 682 D CA 0.787 54.785 54.000 -0.002 0.000 0.833 682 D CB 0.022 40.812 40.800 -0.016 0.000 0.961 682 D HN 0.031 nan 8.370 nan 0.000 0.470 683 L N -0.498 120.636 121.223 -0.148 0.000 2.131 683 L HA -0.056 4.286 4.340 0.003 0.000 0.206 683 L C 0.854 177.492 176.870 -0.387 0.000 1.087 683 L CA 1.357 55.990 54.840 -0.345 0.000 0.767 683 L CB -0.284 41.403 42.059 -0.619 0.000 0.917 683 L HN -0.009 nan 8.230 nan 0.000 0.441 684 Y N 0.071 120.421 120.300 0.082 0.000 2.811 684 Y HA 0.281 4.833 4.550 0.003 0.000 0.330 684 Y C 0.587 176.539 175.900 0.087 0.000 1.081 684 Y CA -0.731 57.425 58.100 0.093 0.000 1.408 684 Y CB -0.331 38.184 38.460 0.091 0.000 1.235 684 Y HN -0.046 nan 8.280 nan 0.000 0.529 685 K N 0.519 121.012 120.400 0.154 0.000 2.319 685 K HA 0.152 4.474 4.320 0.003 0.000 0.265 685 K C 0.402 177.065 176.600 0.106 0.000 1.000 685 K CA 0.071 56.431 56.287 0.122 0.000 0.943 685 K CB 0.656 33.203 32.500 0.078 0.000 0.950 685 K HN 0.067 nan 8.250 nan 0.000 0.485 686 T N 0.531 115.145 114.554 0.100 0.000 2.918 686 T HA 0.026 4.378 4.350 0.003 0.000 0.283 686 T C 1.231 175.898 174.700 -0.054 0.000 1.001 686 T CA -0.545 61.599 62.100 0.073 0.000 1.041 686 T CB 1.554 70.539 68.868 0.195 0.000 1.028 686 T HN 0.393 nan 8.240 nan 0.000 0.511 687 V N 2.394 122.147 119.914 -0.268 0.000 2.688 687 V HA -0.123 3.999 4.120 0.003 0.000 0.256 687 V C 1.197 177.038 176.094 -0.422 0.000 1.084 687 V CA 1.765 63.741 62.300 -0.539 0.000 1.103 687 V CB -0.513 30.658 31.823 -1.088 0.000 0.688 687 V HN 0.940 nan 8.190 nan 0.000 0.480 688 W N 0.081 121.306 121.300 -0.124 0.000 2.678 688 W HA 0.103 4.764 4.660 0.003 0.000 0.256 688 W C 2.184 178.705 176.519 0.003 0.000 1.280 688 W CA 0.626 57.964 57.345 -0.012 0.000 1.345 688 W CB -0.011 29.460 29.460 0.018 0.000 1.118 688 W HN 0.295 nan 8.180 nan 0.000 0.629 689 E N -0.096 120.206 120.200 0.171 0.000 2.481 689 E HA 0.166 4.518 4.350 0.003 0.000 0.198 689 E C 0.282 176.919 176.600 0.062 0.000 1.027 689 E CA 0.002 56.474 56.400 0.121 0.000 0.900 689 E CB 0.386 30.159 29.700 0.121 0.000 0.993 689 E HN 0.173 nan 8.360 nan 0.000 0.482 690 I N 1.147 121.724 120.570 0.013 0.000 2.392 690 I HA 0.069 4.240 4.170 0.003 0.000 0.295 690 I C 0.402 176.526 176.117 0.012 0.000 0.985 690 I CA -0.793 60.503 61.300 -0.006 0.000 1.221 690 I CB 1.798 39.745 38.000 -0.088 0.000 1.366 690 I HN -0.107 nan 8.210 nan 0.000 0.467 691 S N 4.913 120.632 115.700 0.031 0.000 2.571 691 S HA -0.046 4.426 4.470 0.003 0.000 0.297 691 S C 1.182 175.807 174.600 0.041 0.000 1.234 691 S CA -0.282 57.938 58.200 0.033 0.000 1.120 691 S CB 0.337 63.555 63.200 0.029 0.000 0.923 691 S HN 0.533 nan 8.310 nan 0.000 0.504 692 Q N 4.083 123.909 119.800 0.043 0.000 2.297 692 Q HA -0.108 4.234 4.340 0.003 0.000 0.208 692 Q C 1.675 177.727 176.000 0.087 0.000 0.981 692 Q CA 1.404 57.248 55.803 0.067 0.000 0.876 692 Q CB -0.114 28.665 28.738 0.070 0.000 0.921 692 Q HN 0.737 nan 8.270 nan 0.000 0.446 693 K N -0.811 119.606 120.400 0.028 0.000 2.228 693 K HA -0.014 4.308 4.320 0.003 0.000 0.202 693 K C 1.900 178.582 176.600 0.137 0.000 1.051 693 K CA 1.012 57.295 56.287 -0.006 0.000 0.960 693 K CB 0.314 32.667 32.500 -0.246 0.000 0.743 693 K HN 0.055 nan 8.250 nan 0.000 0.458 694 T N 1.277 115.896 114.554 0.108 0.000 2.942 694 T HA 0.010 4.362 4.350 0.003 0.000 0.265 694 T C 1.593 176.406 174.700 0.188 0.000 1.062 694 T CA 0.539 62.722 62.100 0.138 0.000 1.139 694 T CB 0.079 69.016 68.868 0.115 0.000 0.883 694 T HN 0.058 nan 8.240 nan 0.000 0.468 695 I N 1.250 121.926 120.570 0.178 0.000 2.226 695 I HA -0.074 4.098 4.170 0.003 0.000 0.245 695 I C 2.239 178.486 176.117 0.217 0.000 1.100 695 I CA 1.438 62.862 61.300 0.206 0.000 1.374 695 I CB -0.862 37.225 38.000 0.145 0.000 1.057 695 I HN 0.286 nan 8.210 nan 0.000 0.413 696 I N 0.782 121.487 120.570 0.225 0.000 2.439 696 I HA -0.254 3.918 4.170 0.003 0.000 0.251 696 I C 2.145 178.375 176.117 0.188 0.000 1.139 696 I CA 0.789 62.227 61.300 0.230 0.000 1.438 696 I CB -0.388 37.817 38.000 0.343 0.000 1.085 696 I HN 0.269 nan 8.210 nan 0.000 0.427 697 N N 1.026 119.855 118.700 0.216 0.000 2.109 697 N HA -0.100 4.641 4.740 0.003 0.000 0.188 697 N C 1.911 177.467 175.510 0.078 0.000 1.034 697 N CA 1.434 54.569 53.050 0.141 0.000 0.846 697 N CB -0.283 38.298 38.487 0.157 0.000 1.010 697 N HN 0.293 nan 8.380 nan 0.000 0.425 698 M N 0.573 120.238 119.600 0.109 0.000 2.213 698 M HA -0.064 4.418 4.480 0.003 0.000 0.263 698 M C 2.131 178.446 176.300 0.025 0.000 1.062 698 M CA 1.325 56.673 55.300 0.079 0.000 1.105 698 M CB -0.226 32.476 32.600 0.170 0.000 1.385 698 M HN 0.130 nan 8.290 nan 0.000 0.417 699 A N 0.282 123.150 122.820 0.080 0.000 1.930 699 A HA 0.028 4.350 4.320 0.003 0.000 0.217 699 A C 2.360 179.941 177.584 -0.005 0.000 1.175 699 A CA 1.738 53.826 52.037 0.085 0.000 0.627 699 A CB -0.739 18.337 19.000 0.127 0.000 0.815 699 A HN 0.484 nan 8.150 nan 0.000 0.443 700 A N -0.082 122.725 122.820 -0.020 0.000 1.929 700 A HA -0.084 4.238 4.320 0.003 0.000 0.216 700 A C 1.733 179.150 177.584 -0.279 0.000 1.176 700 A CA 1.576 53.559 52.037 -0.091 0.000 0.628 700 A CB -0.415 18.577 19.000 -0.012 0.000 0.816 700 A HN 0.435 nan 8.150 nan 0.000 0.444 701 D N 0.239 120.524 120.400 -0.191 0.000 2.084 701 D HA -0.192 4.450 4.640 0.003 0.000 0.194 701 D C 2.182 178.299 176.300 -0.306 0.000 0.990 701 D CA 1.862 55.736 54.000 -0.210 0.000 0.826 701 D CB -0.411 40.333 40.800 -0.094 0.000 0.971 701 D HN 0.740 nan 8.370 nan 0.000 0.453 702 R N 0.576 120.878 120.500 -0.330 0.000 2.189 702 R HA 0.113 4.455 4.340 0.003 0.000 0.218 702 R C 1.972 177.901 176.300 -0.619 0.000 1.074 702 R CA 0.907 56.736 56.100 -0.452 0.000 0.991 702 R CB -0.331 29.393 30.300 -0.960 0.000 0.883 702 R HN -0.137 nan 8.270 nan 0.000 0.457 703 S N 1.228 116.518 115.700 -0.682 0.000 2.419 703 S HA -0.091 4.381 4.470 0.003 0.000 0.233 703 S C 1.981 175.898 174.600 -1.139 0.000 1.016 703 S CA 1.277 59.029 58.200 -0.747 0.000 0.974 703 S CB -0.084 62.775 63.200 -0.569 0.000 0.786 703 S HN 0.452 nan 8.310 nan 0.000 0.492 704 V N -1.475 117.576 119.914 -1.440 0.000 2.913 704 V HA -0.040 4.082 4.120 0.003 0.000 0.260 704 V C 1.003 176.486 176.094 -1.019 0.000 1.098 704 V CA 1.240 62.614 62.300 -1.544 0.000 1.121 704 V CB -1.214 29.860 31.823 -1.248 0.000 0.714 704 V HN 0.596 nan 8.190 nan 0.000 0.487 705 Y N 0.032 120.044 120.300 -0.481 0.000 2.607 705 Y HA 0.582 5.135 4.550 0.004 0.000 0.266 705 Y C 0.639 176.157 175.900 -0.636 0.000 1.178 705 Y CA -0.576 57.239 58.100 -0.474 0.000 1.226 705 Y CB 0.352 38.775 38.460 -0.061 0.000 1.144 705 Y HN 0.194 nan 8.280 nan 0.000 0.528 706 I N 0.537 120.848 120.570 -0.432 0.000 2.390 706 I HA 0.129 4.301 4.170 0.003 0.000 0.283 706 I C 0.254 176.266 176.117 -0.175 0.000 1.016 706 I CA -0.408 60.726 61.300 -0.275 0.000 1.151 706 I CB 1.384 39.229 38.000 -0.259 0.000 1.293 706 I HN 0.125 nan 8.210 nan 0.000 0.458 707 D N 3.886 124.201 120.400 -0.143 0.000 2.149 707 D HA -0.177 4.465 4.640 0.003 0.000 0.194 707 D C 1.271 177.585 176.300 0.023 0.000 1.001 707 D CA 1.872 55.861 54.000 -0.017 0.000 0.849 707 D CB 0.432 41.271 40.800 0.065 0.000 0.939 707 D HN 0.630 nan 8.370 nan 0.000 0.449 708 Q N -0.674 119.141 119.800 0.024 0.000 3.081 708 Q HA 0.363 4.705 4.340 0.003 0.000 0.219 708 Q C 0.565 176.606 176.000 0.069 0.000 1.169 708 Q CA -0.378 55.452 55.803 0.045 0.000 0.309 708 Q CB 0.549 29.309 28.738 0.037 0.000 5.821 708 Q HN -0.042 nan 8.270 nan 0.000 0.320 709 S N -1.120 114.628 115.700 0.079 0.000 2.903 709 S HA 0.464 4.935 4.470 0.003 0.000 0.314 709 S C -1.969 172.732 174.600 0.167 0.000 1.177 709 S CA -0.682 57.596 58.200 0.131 0.000 0.859 709 S CB 1.190 64.453 63.200 0.104 0.000 1.265 709 S HN 0.628 nan 8.310 nan 0.000 0.584 710 H N -1.184 117.840 119.070 -0.076 0.000 3.029 710 H HA 0.560 5.118 4.556 0.003 0.000 0.358 710 H C -1.088 174.245 175.328 0.007 0.000 1.129 710 H CA -0.859 55.136 56.048 -0.090 0.000 1.230 710 H CB 0.919 30.455 29.762 -0.378 0.000 1.827 710 H HN 0.284 nan 8.280 nan 0.000 0.530 711 S N 3.431 119.224 115.700 0.154 0.000 3.399 711 S HA -0.031 4.441 4.470 0.003 0.000 0.267 711 S C 0.321 175.115 174.600 0.323 0.000 1.088 711 S CA -0.318 57.889 58.200 0.013 0.000 1.306 711 S CB -0.558 62.528 63.200 -0.190 0.000 1.601 711 S HN 0.487 nan 8.310 nan 0.000 0.558 712 L N 3.995 125.297 121.223 0.131 0.000 2.356 712 L HA 0.193 4.534 4.340 0.003 0.000 0.282 712 L C 0.180 177.184 176.870 0.224 0.000 1.132 712 L CA -0.242 54.717 54.840 0.199 0.000 0.923 712 L CB -0.221 41.808 42.059 -0.050 0.000 1.278 712 L HN 0.496 nan 8.230 nan 0.000 0.436 713 N N 3.129 121.991 118.700 0.270 0.000 2.479 713 N HA 0.250 4.992 4.740 0.003 0.000 0.257 713 N C -0.963 174.519 175.510 -0.047 0.000 1.232 713 N CA -0.453 52.615 53.050 0.031 0.000 0.920 713 N CB 0.928 39.362 38.487 -0.088 0.000 1.105 713 N HN 0.304 nan 8.380 nan 0.000 0.444 714 L N 2.851 123.920 121.223 -0.257 0.000 2.356 714 L HA 0.471 4.813 4.340 0.003 0.000 0.277 714 L C -1.387 175.232 176.870 -0.419 0.000 0.996 714 L CA -0.371 54.379 54.840 -0.151 0.000 0.822 714 L CB 0.987 43.011 42.059 -0.060 0.000 1.256 714 L HN 0.429 nan 8.230 nan 0.000 0.413 715 F N 4.899 124.721 119.950 -0.213 0.000 2.402 715 F HA 0.541 5.069 4.527 0.003 0.000 0.355 715 F C -0.191 175.527 175.800 -0.138 0.000 1.123 715 F CA -0.557 57.195 58.000 -0.413 0.000 1.021 715 F CB 0.999 39.390 39.000 -1.015 0.000 1.160 715 F HN 0.109 nan 8.300 nan 0.000 0.451 716 L N 4.513 125.878 121.223 0.236 0.000 2.319 716 L HA 0.479 4.821 4.340 0.003 0.000 0.281 716 L C 1.233 178.408 176.870 0.508 0.000 1.005 716 L CA -0.561 54.462 54.840 0.304 0.000 0.828 716 L CB 2.038 44.197 42.059 0.165 0.000 1.227 716 L HN 0.687 nan 8.230 nan 0.000 0.415 717 R N 3.201 123.991 120.500 0.484 0.000 2.055 717 R HA 0.105 4.447 4.340 0.003 0.000 0.228 717 R C 0.690 177.072 176.300 0.138 0.000 1.143 717 R CA 1.258 57.545 56.100 0.311 0.000 0.945 717 R CB 0.161 30.613 30.300 0.252 0.000 0.841 717 R HN 0.668 nan 8.270 nan 0.000 0.429 718 A N 2.600 125.495 122.820 0.125 0.000 2.838 718 A HA 0.351 4.673 4.320 0.003 0.000 0.337 718 A C -2.324 175.312 177.584 0.085 0.000 1.383 718 A CA -1.496 50.588 52.037 0.079 0.000 0.985 718 A CB 0.491 19.529 19.000 0.062 0.000 1.157 718 A HN 0.278 nan 8.150 nan 0.000 0.497 719 P HA 0.133 nan 4.420 nan 0.000 0.268 719 P C 0.123 177.457 177.300 0.057 0.000 1.485 719 P CA 0.405 63.550 63.100 0.075 0.000 1.102 719 P CB 0.269 32.014 31.700 0.075 0.000 1.501 720 T N -0.092 114.500 114.554 0.063 0.000 2.944 720 T HA 0.342 4.694 4.350 0.003 0.000 0.284 720 T C 1.348 176.093 174.700 0.075 0.000 1.010 720 T CA -0.763 61.376 62.100 0.065 0.000 1.025 720 T CB 1.142 70.052 68.868 0.069 0.000 1.079 720 T HN -0.051 nan 8.240 nan 0.000 0.516 721 M N 1.823 121.476 119.600 0.088 0.000 2.059 721 M HA 0.140 4.622 4.480 0.003 0.000 0.259 721 M C 2.516 178.914 176.300 0.163 0.000 1.072 721 M CA 2.330 57.698 55.300 0.114 0.000 1.117 721 M CB -1.364 31.330 32.600 0.157 0.000 1.320 721 M HN 0.959 nan 8.290 nan 0.000 0.408 722 G N -1.113 107.777 108.800 0.150 0.000 2.450 722 G HA2 -0.286 3.675 3.960 0.003 0.000 0.220 722 G HA3 -0.286 3.675 3.960 0.003 0.000 0.220 722 G C 1.647 176.631 174.900 0.140 0.000 1.130 722 G CA 1.467 46.655 45.100 0.147 0.000 0.760 722 G HN 0.362 nan 8.290 nan 0.000 0.557 723 K N -0.075 120.393 120.400 0.115 0.000 1.984 723 K HA 0.050 4.372 4.320 0.003 0.000 0.209 723 K C 2.308 178.977 176.600 0.115 0.000 1.046 723 K CA 0.770 57.116 56.287 0.099 0.000 0.934 723 K CB -0.713 31.835 32.500 0.079 0.000 0.717 723 K HN 0.179 nan 8.250 nan 0.000 0.438 724 L N 0.988 122.275 121.223 0.107 0.000 2.079 724 L HA -0.157 4.185 4.340 0.003 0.000 0.210 724 L C 1.800 178.793 176.870 0.205 0.000 1.081 724 L CA 2.058 56.941 54.840 0.071 0.000 0.752 724 L CB -1.066 41.022 42.059 0.048 0.000 0.896 724 L HN 0.296 nan 8.230 nan 0.000 0.433 725 T N -0.868 113.906 114.554 0.366 0.000 2.708 725 T HA -0.159 4.193 4.350 0.003 0.000 0.266 725 T C 2.002 177.052 174.700 0.583 0.000 1.037 725 T CA 1.740 64.232 62.100 0.654 0.000 1.146 725 T CB -0.392 68.810 68.868 0.557 0.000 0.865 725 T HN 0.689 nan 8.240 nan 0.000 0.435 726 S N 1.257 117.160 115.700 0.338 0.000 2.423 726 S HA -0.047 4.425 4.470 0.003 0.000 0.231 726 S C 2.081 176.890 174.600 0.348 0.000 1.014 726 S CA 0.701 59.083 58.200 0.303 0.000 0.965 726 S CB -0.428 62.867 63.200 0.158 0.000 0.785 726 S HN 0.174 nan 8.310 nan 0.000 0.495 727 M N 1.516 121.272 119.600 0.259 0.000 2.132 727 M HA 0.002 4.484 4.480 0.003 0.000 0.263 727 M C 2.199 178.684 176.300 0.308 0.000 1.065 727 M CA 1.494 56.923 55.300 0.215 0.000 1.122 727 M CB -1.646 30.980 32.600 0.043 0.000 1.365 727 M HN 0.412 nan 8.290 nan 0.000 0.411 728 H N -0.628 118.683 119.070 0.403 0.000 2.293 728 H HA -0.067 4.491 4.556 0.003 0.000 0.300 728 H C 2.126 177.662 175.328 0.347 0.000 1.082 728 H CA 1.613 57.897 56.048 0.394 0.000 1.308 728 H CB -0.730 29.328 29.762 0.492 0.000 1.375 728 H HN 0.278 nan 8.280 nan 0.000 0.495 729 F N -0.233 120.002 119.950 0.474 0.000 2.269 729 F HA -0.194 4.336 4.527 0.005 0.000 0.301 729 F C 2.579 178.592 175.800 0.355 0.000 1.082 729 F CA 0.851 59.084 58.000 0.390 0.000 1.360 729 F CB -0.569 38.578 39.000 0.245 0.000 1.041 729 F HN 0.127 nan 8.300 nan 0.000 0.512 730 Y N 0.514 121.027 120.300 0.356 0.000 2.200 730 Y HA -0.020 4.531 4.550 0.002 0.000 0.290 730 Y C 2.439 178.442 175.900 0.171 0.000 1.137 730 Y CA 1.365 59.594 58.100 0.215 0.000 1.163 730 Y CB -0.894 37.670 38.460 0.173 0.000 0.988 730 Y HN -0.016 nan 8.280 nan 0.000 0.518 731 G N -0.989 107.941 108.800 0.216 0.000 2.402 731 G HA2 -0.312 3.650 3.960 0.003 0.000 0.216 731 G HA3 -0.312 3.650 3.960 0.003 0.000 0.216 731 G C 1.434 176.372 174.900 0.063 0.000 1.162 731 G CA 0.678 45.860 45.100 0.135 0.000 0.777 731 G HN 0.620 nan 8.290 nan 0.000 0.539 732 W N 1.764 122.975 121.300 -0.148 0.000 2.354 732 W HA -0.023 4.638 4.660 0.002 0.000 0.315 732 W C 2.450 178.737 176.519 -0.388 0.000 1.206 732 W CA 1.682 58.697 57.345 -0.550 0.000 1.290 732 W CB -0.149 28.871 29.460 -0.733 0.000 1.152 732 W HN 0.135 nan 8.180 nan 0.000 0.489 733 K N -0.102 120.020 120.400 -0.464 0.000 2.283 733 K HA -0.121 4.201 4.320 0.003 0.000 0.202 733 K C 1.855 178.188 176.600 -0.444 0.000 1.048 733 K CA 0.887 56.813 56.287 -0.601 0.000 0.948 733 K CB -0.220 32.092 32.500 -0.314 0.000 0.742 733 K HN -0.071 nan 8.250 nan 0.000 0.458 734 K N -0.069 120.113 120.400 -0.363 0.000 2.439 734 K HA -0.033 4.289 4.320 0.003 0.000 0.197 734 K C 1.091 177.608 176.600 -0.139 0.000 1.041 734 K CA 0.882 57.012 56.287 -0.261 0.000 0.970 734 K CB 0.222 32.560 32.500 -0.269 0.000 0.773 734 K HN 0.433 nan 8.250 nan 0.000 0.479 735 G N 1.268 109.894 108.800 -0.290 0.000 2.143 735 G HA2 -0.252 3.710 3.960 0.003 0.000 0.249 735 G HA3 -0.252 3.710 3.960 0.003 0.000 0.249 735 G C 0.191 174.949 174.900 -0.237 0.000 0.981 735 G CA 0.080 44.952 45.100 -0.381 0.000 0.665 735 G HN 0.225 nan 8.290 nan 0.000 0.528 736 L N -0.530 120.704 121.223 0.019 0.000 2.499 736 L HA 0.202 4.544 4.340 0.003 0.000 0.281 736 L C 1.893 178.880 176.870 0.194 0.000 1.234 736 L CA 0.496 55.456 54.840 0.201 0.000 0.839 736 L CB 0.359 42.544 42.059 0.211 0.000 1.104 736 L HN 0.166 nan 8.230 nan 0.000 0.500 737 K N 0.313 120.833 120.400 0.200 0.000 2.108 737 K HA 0.064 4.386 4.320 0.003 0.000 0.204 737 K C 0.373 177.066 176.600 0.154 0.000 1.036 737 K CA 0.670 57.045 56.287 0.147 0.000 0.965 737 K CB 0.126 32.694 32.500 0.112 0.000 0.804 737 K HN 0.529 nan 8.250 nan 0.000 0.454 738 T N 1.250 115.866 114.554 0.105 0.000 2.891 738 T HA 0.140 4.492 4.350 0.003 0.000 0.315 738 T C 0.943 175.685 174.700 0.071 0.000 1.054 738 T CA -0.388 61.739 62.100 0.046 0.000 0.958 738 T CB 1.203 70.064 68.868 -0.013 0.000 1.008 738 T HN 0.372 nan 8.240 nan 0.000 0.521 739 G N 3.034 111.879 108.800 0.076 0.000 2.432 739 G HA2 0.026 3.988 3.960 0.003 0.000 0.219 739 G HA3 0.026 3.988 3.960 0.003 0.000 0.219 739 G C 0.368 175.381 174.900 0.188 0.000 1.135 739 G CA 0.470 45.716 45.100 0.243 0.000 0.767 739 G HN 0.590 nan 8.290 nan 0.000 0.550 740 M N -1.997 117.674 119.600 0.118 0.000 2.389 740 M HA 0.378 4.860 4.480 0.003 0.000 0.291 740 M C -1.090 175.291 176.300 0.135 0.000 1.128 740 M CA -0.909 54.475 55.300 0.140 0.000 0.942 740 M CB 1.338 34.064 32.600 0.209 0.000 1.783 740 M HN 0.066 nan 8.290 nan 0.000 0.501 741 Y N 4.021 124.263 120.300 -0.096 0.000 2.926 741 Y HA 0.449 5.001 4.550 0.003 0.000 0.207 741 Y C -0.900 174.830 175.900 -0.284 0.000 0.927 741 Y CA 0.329 58.205 58.100 -0.373 0.000 1.055 741 Y CB -0.263 38.019 38.460 -0.297 0.000 1.056 741 Y HN 0.600 nan 8.280 nan 0.000 0.462 742 Y N 1.469 121.369 120.300 -0.667 0.000 2.301 742 Y HA 0.327 4.879 4.550 0.003 0.000 0.328 742 Y C 0.098 175.847 175.900 -0.251 0.000 1.242 742 Y CA -0.360 57.506 58.100 -0.389 0.000 1.323 742 Y CB 0.821 38.938 38.460 -0.571 0.000 1.266 742 Y HN 0.167 nan 8.280 nan 0.000 0.527 743 L N 5.655 126.914 121.223 0.060 0.000 2.295 743 L HA 0.459 4.801 4.340 0.003 0.000 0.281 743 L C -0.919 175.912 176.870 -0.064 0.000 1.018 743 L CA -0.405 54.405 54.840 -0.050 0.000 0.841 743 L CB 0.225 42.292 42.059 0.013 0.000 1.218 743 L HN 0.718 nan 8.230 nan 0.000 0.424 744 R N 3.325 123.680 120.500 -0.243 0.000 2.312 744 R HA 0.557 4.899 4.340 0.003 0.000 0.311 744 R C -0.527 175.908 176.300 0.224 0.000 1.004 744 R CA -0.437 55.617 56.100 -0.078 0.000 0.902 744 R CB 1.936 32.082 30.300 -0.257 0.000 1.073 744 R HN 0.553 nan 8.270 nan 0.000 0.457 745 T N 1.594 116.357 114.554 0.348 0.000 2.930 745 T HA 0.484 4.836 4.350 0.003 0.000 0.290 745 T C -0.905 173.905 174.700 0.184 0.000 1.052 745 T CA -0.681 61.644 62.100 0.375 0.000 1.017 745 T CB 2.061 71.029 68.868 0.166 0.000 1.137 745 T HN 0.480 nan 8.240 nan 0.000 0.511 746 Q N 0.000 119.767 119.800 -0.055 0.000 2.315 746 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 746 Q CA 0.000 55.614 55.803 -0.314 0.000 1.022 746 Q CB 0.000 28.303 28.738 -0.725 0.000 1.108 746 Q HN 0.000 nan 8.270 nan 0.000 0.481