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 1ha0_1_A DATA FIRST_RESID 9 DATA SEQUENCE STATLcLGHH AVPNGTLVKT ITDDQIEVTN ATELVQSSST GKIcNNPHRI DATA SEQUENCE LDGIDcTLID ALLGDPHcDV FQNETWDLFV ERSKAFSNcY PYDVPDYASL DATA SEQUENCE RSLVASSGTL EFITEGFTWT GVTQNGGSNA cKRGPGSGFF SRLNWLTKSG DATA SEQUENCE STYPVLNVTM PNNDNFDKLY IWGIHHPSTN QEQTSLYVQA SGRVTVSTRR DATA SEQUENCE SQQTIIPNIG SRPWVRGLSS RISIYWTIVK PGDVLVINSN GNLIAPRGYF DATA SEQUENCE KMRTGKSSIM RSDAPIDTcI SEcITPNGSI PNDKPFQNVN KITYGAcPKY DATA SEQUENCE VKQNTLKLAT GMRNVPEKQT QGLFGAIAGF IENGWEGMID GWYGFRHQNS DATA SEQUENCE EGTGQAADLK STQAAIDQIN GKLNRVIEKT NEKFHQIEKE FSEVEGRIQD DATA SEQUENCE LEKYVEDTKI DLWSYNAELL VALENQHTID LTDSEMNKLF EKTRRQLREN DATA SEQUENCE AEEMGNGcFK IYHKcDNAcI ESIRNGTYDH DVYRNEALNN RFQI 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.605 174.600 0.009 0.000 1.055 9 S CA 0.000 58.216 58.200 0.027 0.000 1.107 9 S CB 0.000 63.218 63.200 0.030 0.000 0.593 10 T N 0.294 114.816 114.554 -0.054 0.000 2.678 10 T HA 0.965 5.315 4.350 0.000 0.000 0.260 10 T C -0.295 174.315 174.700 -0.149 0.000 0.932 10 T CA -0.272 61.748 62.100 -0.134 0.000 1.043 10 T CB 1.389 70.106 68.868 -0.252 0.000 1.413 10 T HN 1.475 nan 8.240 nan 0.000 0.568 11 A N -0.525 122.175 122.820 -0.199 0.000 2.581 11 A HA 0.766 5.086 4.320 0.000 0.000 0.290 11 A C -0.872 176.633 177.584 -0.132 0.000 1.119 11 A CA -0.867 51.080 52.037 -0.151 0.000 0.670 11 A CB 1.240 20.129 19.000 -0.185 0.000 1.280 11 A HN 0.934 nan 8.150 nan 0.000 0.425 12 T N 0.547 115.066 114.554 -0.059 0.000 2.886 12 T HA 0.618 4.968 4.350 0.000 0.000 0.292 12 T C -1.590 173.155 174.700 0.074 0.000 1.012 12 T CA -0.196 61.900 62.100 -0.007 0.000 0.982 12 T CB 1.332 70.188 68.868 -0.020 0.000 1.018 12 T HN 1.147 nan 8.240 nan 0.000 0.451 13 L N 3.115 124.428 121.223 0.150 0.000 2.518 13 L HA 0.602 4.943 4.340 0.000 0.000 0.262 13 L C -1.075 176.022 176.870 0.379 0.000 0.982 13 L CA -0.342 54.651 54.840 0.255 0.000 0.873 13 L CB 0.435 42.617 42.059 0.204 0.000 1.198 13 L HN 0.790 nan 8.230 nan 0.000 0.427 14 c N 4.538 123.356 118.600 0.364 0.000 2.405 14 c HA 0.629 5.199 4.570 0.000 0.000 0.365 14 c C -0.084 174.357 174.090 0.584 0.000 1.233 14 c CA -0.974 55.615 56.329 0.434 0.000 2.230 14 c CB 0.998 43.749 42.510 0.402 0.000 2.443 14 c HN 0.574 nan 8.230 nan 0.000 0.556 15 L N 2.394 123.942 121.223 0.541 0.000 2.317 15 L HA 0.776 5.116 4.340 0.000 0.000 0.281 15 L C 0.540 177.496 176.870 0.143 0.000 1.024 15 L CA 0.789 55.836 54.840 0.346 0.000 0.810 15 L CB 1.027 43.347 42.059 0.435 0.000 1.240 15 L HN 1.020 nan 8.230 nan 0.000 0.427 16 G N 1.246 109.815 108.800 -0.385 0.000 2.687 16 G HA2 0.627 4.588 3.960 0.000 0.000 0.291 16 G HA3 0.627 4.588 3.960 0.000 0.000 0.291 16 G C -1.755 172.714 174.900 -0.718 0.000 1.420 16 G CA -0.437 43.997 45.100 -1.111 0.000 0.796 16 G HN 0.752 nan 8.290 nan 0.000 0.485 17 H N -2.034 116.575 119.070 -0.769 0.000 2.806 17 H HA 0.670 5.226 4.556 0.000 0.000 0.367 17 H C 0.066 175.195 175.328 -0.332 0.000 1.136 17 H CA -0.807 54.944 56.048 -0.495 0.000 1.178 17 H CB 0.568 30.077 29.762 -0.421 0.000 1.718 17 H HN 0.911 nan 8.280 nan 0.000 0.540 18 H N 1.783 120.713 119.070 -0.233 0.000 2.703 18 H HA 0.658 5.214 4.556 0.000 0.000 0.377 18 H C -0.768 174.501 175.328 -0.098 0.000 1.392 18 H CA -0.600 55.372 56.048 -0.127 0.000 1.458 18 H CB 0.622 30.329 29.762 -0.092 0.000 1.529 18 H HN 0.899 nan 8.280 nan 0.000 0.619 19 A N 0.968 123.664 122.820 -0.207 0.000 2.594 19 A HA 0.512 4.832 4.320 0.000 0.000 0.295 19 A C -0.720 176.711 177.584 -0.255 0.000 1.071 19 A CA -0.266 51.613 52.037 -0.264 0.000 0.685 19 A CB 1.442 20.382 19.000 -0.099 0.000 1.285 19 A HN 0.965 nan 8.150 nan 0.000 0.405 20 V N -1.069 118.699 119.914 -0.243 0.000 3.019 20 V HA 0.791 4.911 4.120 0.000 0.000 0.317 20 V C -2.009 174.027 176.094 -0.096 0.000 1.094 20 V CA -1.562 60.640 62.300 -0.163 0.000 1.000 20 V CB 1.499 33.212 31.823 -0.184 0.000 1.060 20 V HN 0.704 nan 8.190 nan 0.000 0.443 21 P HA -0.042 nan 4.420 nan 0.000 0.214 21 P C 0.263 177.537 177.300 -0.043 0.000 1.162 21 P CA 0.980 64.056 63.100 -0.041 0.000 0.871 21 P CB 0.145 31.829 31.700 -0.026 0.000 0.783 22 N N 0.196 118.870 118.700 -0.044 0.000 2.589 22 N HA 0.349 5.089 4.740 0.000 0.000 0.232 22 N C 0.233 175.712 175.510 -0.052 0.000 1.015 22 N CA -0.442 52.585 53.050 -0.039 0.000 0.931 22 N CB 0.970 39.440 38.487 -0.027 0.000 1.150 22 N HN 0.072 nan 8.380 nan 0.000 0.512 23 G N 0.687 109.451 108.800 -0.059 0.000 2.642 23 G HA2 0.525 4.485 3.960 0.000 0.000 0.291 23 G HA3 0.525 4.485 3.960 0.000 0.000 0.291 23 G C -0.509 174.359 174.900 -0.053 0.000 1.345 23 G CA -0.183 44.874 45.100 -0.071 0.000 1.043 23 G HN 0.290 nan 8.290 nan 0.000 0.528 24 T N -0.213 114.308 114.554 -0.055 0.000 2.908 24 T HA 0.573 4.923 4.350 0.000 0.000 0.290 24 T C -0.344 174.333 174.700 -0.039 0.000 1.034 24 T CA -0.418 61.658 62.100 -0.039 0.000 1.010 24 T CB 1.711 70.561 68.868 -0.031 0.000 1.068 24 T HN 0.298 nan 8.240 nan 0.000 0.481 25 L N 2.414 123.620 121.223 -0.028 0.000 2.322 25 L HA 0.835 5.175 4.340 0.000 0.000 0.279 25 L C -0.068 176.790 176.870 -0.020 0.000 1.036 25 L CA -0.970 53.855 54.840 -0.026 0.000 0.807 25 L CB 1.411 43.457 42.059 -0.021 0.000 1.226 25 L HN 0.554 nan 8.230 nan 0.000 0.433 26 V N -0.194 119.707 119.914 -0.020 0.000 3.181 26 V HA 0.576 4.697 4.120 0.000 0.000 0.308 26 V C -0.788 175.298 176.094 -0.014 0.000 1.214 26 V CA -1.167 61.124 62.300 -0.014 0.000 1.053 26 V CB 2.093 33.908 31.823 -0.013 0.000 1.069 26 V HN 0.648 nan 8.190 nan 0.000 0.441 27 K N 0.862 121.256 120.400 -0.011 0.000 2.087 27 K HA 0.820 5.140 4.320 0.000 0.000 0.255 27 K C -0.116 176.477 176.600 -0.011 0.000 0.988 27 K CA 0.036 56.316 56.287 -0.013 0.000 0.915 27 K CB 1.804 34.295 32.500 -0.016 0.000 1.043 27 K HN 1.152 nan 8.250 nan 0.000 0.457 28 T N -3.020 111.527 114.554 -0.011 0.000 2.647 28 T HA 0.344 4.695 4.350 0.000 0.000 0.295 28 T C 1.068 175.763 174.700 -0.008 0.000 1.126 28 T CA -0.855 61.240 62.100 -0.007 0.000 1.040 28 T CB 0.162 69.026 68.868 -0.006 0.000 1.472 28 T HN 0.416 nan 8.240 nan 0.000 0.500 29 I N 0.543 121.110 120.570 -0.004 0.000 2.676 29 I HA -0.003 4.168 4.170 0.000 0.000 0.259 29 I C 2.417 178.532 176.117 -0.002 0.000 1.194 29 I CA 1.649 62.947 61.300 -0.003 0.000 1.473 29 I CB -0.135 37.866 38.000 0.001 0.000 1.096 29 I HN 0.899 nan 8.210 nan 0.000 0.443 30 T N -2.643 111.909 114.554 -0.004 0.000 2.989 30 T HA 0.084 4.434 4.350 0.000 0.000 0.250 30 T C 0.436 175.132 174.700 -0.006 0.000 0.981 30 T CA -0.121 61.976 62.100 -0.004 0.000 0.980 30 T CB 0.361 69.226 68.868 -0.004 0.000 1.133 30 T HN -0.004 nan 8.240 nan 0.000 0.489 31 D N 0.956 121.350 120.400 -0.009 0.000 2.391 31 D HA 0.307 4.947 4.640 0.000 0.000 0.245 31 D C -0.149 176.144 176.300 -0.012 0.000 1.069 31 D CA -0.207 53.786 54.000 -0.011 0.000 0.831 31 D CB 2.286 43.078 40.800 -0.014 0.000 1.204 31 D HN 0.129 nan 8.370 nan 0.000 0.503 32 D N 1.416 121.809 120.400 -0.011 0.000 2.149 32 D HA -0.110 4.530 4.640 0.000 0.000 0.201 32 D C -0.135 176.157 176.300 -0.013 0.000 0.972 32 D CA 1.121 55.114 54.000 -0.012 0.000 0.835 32 D CB 0.480 41.275 40.800 -0.010 0.000 0.966 32 D HN 0.101 nan 8.370 nan 0.000 0.476 33 Q N 0.417 120.208 119.800 -0.014 0.000 2.523 33 Q HA 0.426 4.767 4.340 0.000 0.000 0.251 33 Q C -1.303 174.685 176.000 -0.020 0.000 1.033 33 Q CA -0.217 55.576 55.803 -0.017 0.000 0.746 33 Q CB 1.160 29.889 28.738 -0.015 0.000 1.189 33 Q HN 0.319 nan 8.270 nan 0.000 0.508 34 I N 0.543 121.099 120.570 -0.024 0.000 2.436 34 I HA 0.433 4.603 4.170 0.000 0.000 0.289 34 I C -0.539 175.555 176.117 -0.038 0.000 1.010 34 I CA -0.749 60.533 61.300 -0.030 0.000 1.098 34 I CB 1.429 39.411 38.000 -0.029 0.000 1.266 34 I HN 0.410 nan 8.210 nan 0.000 0.434 35 E N 6.839 127.013 120.200 -0.044 0.000 2.316 35 E HA 0.424 4.774 4.350 0.000 0.000 0.275 35 E C -1.060 175.494 176.600 -0.077 0.000 1.029 35 E CA -0.527 55.840 56.400 -0.056 0.000 0.871 35 E CB 1.225 30.892 29.700 -0.054 0.000 1.022 35 E HN 0.507 nan 8.360 nan 0.000 0.418 36 V N 0.969 120.832 119.914 -0.086 0.000 3.113 36 V HA 0.406 4.526 4.120 0.000 0.000 0.316 36 V C 0.870 176.877 176.094 -0.145 0.000 1.125 36 V CA -0.146 62.083 62.300 -0.118 0.000 1.026 36 V CB 1.290 33.056 31.823 -0.095 0.000 1.080 36 V HN 0.814 nan 8.190 nan 0.000 0.444 37 T N -1.664 112.762 114.554 -0.212 0.000 3.160 37 T HA 0.217 4.567 4.350 0.000 0.000 0.257 37 T C 0.540 175.141 174.700 -0.165 0.000 1.147 37 T CA 0.770 62.719 62.100 -0.251 0.000 1.064 37 T CB -0.807 67.786 68.868 -0.459 0.000 0.949 37 T HN 0.920 nan 8.240 nan 0.000 0.526 38 N N -0.471 118.163 118.700 -0.110 0.000 4.104 38 N HA 0.547 5.287 4.740 0.000 0.000 0.214 38 N C -2.235 173.261 175.510 -0.023 0.000 1.270 38 N CA 0.117 53.139 53.050 -0.047 0.000 0.894 38 N CB 1.286 39.766 38.487 -0.012 0.000 1.495 38 N HN 0.434 nan 8.380 nan 0.000 0.506 39 A N 0.203 123.023 122.820 -0.000 0.000 2.594 39 A HA 0.614 4.934 4.320 0.000 0.000 0.296 39 A C -1.326 176.269 177.584 0.019 0.000 1.061 39 A CA -0.436 51.607 52.037 0.010 0.000 0.689 39 A CB 1.429 20.429 19.000 0.000 0.000 1.280 39 A HN 0.474 nan 8.150 nan 0.000 0.406 40 T N 0.338 114.907 114.554 0.026 0.000 2.823 40 T HA 0.555 4.905 4.350 0.000 0.000 0.279 40 T C -0.253 174.462 174.700 0.025 0.000 0.998 40 T CA -0.204 61.911 62.100 0.025 0.000 0.994 40 T CB 0.999 69.883 68.868 0.027 0.000 0.960 40 T HN 0.800 nan 8.240 nan 0.000 0.448 41 E N 2.955 123.168 120.200 0.022 0.000 2.383 41 E HA 0.229 4.580 4.350 0.000 0.000 0.264 41 E C 0.303 176.924 176.600 0.033 0.000 1.050 41 E CA 0.153 56.570 56.400 0.028 0.000 0.896 41 E CB 0.467 30.180 29.700 0.022 0.000 0.982 41 E HN 0.626 nan 8.360 nan 0.000 0.424 42 L N 2.397 123.658 121.223 0.063 0.000 2.749 42 L HA 0.255 4.595 4.340 0.000 0.000 0.242 42 L C -0.333 176.611 176.870 0.123 0.000 1.103 42 L CA -0.087 54.803 54.840 0.083 0.000 0.906 42 L CB 0.735 42.899 42.059 0.176 0.000 1.228 42 L HN 0.258 nan 8.230 nan 0.000 0.517 43 V N 0.999 120.981 119.914 0.113 0.000 2.347 43 V HA 0.221 4.341 4.120 0.000 0.000 0.280 43 V C -0.070 176.052 176.094 0.047 0.000 1.021 43 V CA -0.545 61.816 62.300 0.102 0.000 0.847 43 V CB 1.429 33.291 31.823 0.066 0.000 0.990 43 V HN 0.139 nan 8.190 nan 0.000 0.444 44 Q N 3.528 123.351 119.800 0.039 0.000 2.281 44 Q HA 0.183 4.524 4.340 0.000 0.000 0.267 44 Q C 0.910 176.929 176.000 0.030 0.000 1.053 44 Q CA 0.493 56.312 55.803 0.027 0.000 0.905 44 Q CB 1.151 29.904 28.738 0.024 0.000 1.195 44 Q HN 0.902 nan 8.270 nan 0.000 0.398 45 S N 0.947 116.663 115.700 0.026 0.000 2.539 45 S HA 0.251 4.721 4.470 0.000 0.000 0.221 45 S C 0.054 174.674 174.600 0.033 0.000 0.987 45 S CA 0.050 58.266 58.200 0.028 0.000 0.929 45 S CB 0.220 63.431 63.200 0.019 0.000 0.832 45 S HN 0.507 nan 8.310 nan 0.000 0.492 46 S N 0.739 116.457 115.700 0.031 0.000 2.548 46 S HA 0.770 5.241 4.470 0.000 0.000 0.286 46 S C -0.663 173.957 174.600 0.032 0.000 1.098 46 S CA -0.609 57.609 58.200 0.031 0.000 0.930 46 S CB 1.873 65.087 63.200 0.024 0.000 1.070 46 S HN 0.223 nan 8.310 nan 0.000 0.480 47 S N 0.483 116.202 115.700 0.033 0.000 2.607 47 S HA 0.550 5.021 4.470 0.000 0.000 0.303 47 S C 0.941 175.556 174.600 0.026 0.000 1.086 47 S CA -0.382 57.838 58.200 0.032 0.000 0.995 47 S CB 1.146 64.368 63.200 0.037 0.000 1.084 47 S HN 0.787 nan 8.310 nan 0.000 0.507 48 T N 1.685 116.254 114.554 0.025 0.000 2.951 48 T HA 0.247 4.597 4.350 0.000 0.000 0.268 48 T C 1.532 176.243 174.700 0.019 0.000 1.073 48 T CA 0.802 62.914 62.100 0.020 0.000 1.134 48 T CB -0.604 68.275 68.868 0.020 0.000 0.884 48 T HN 1.558 nan 8.240 nan 0.000 0.479 49 G N 0.988 109.800 108.800 0.021 0.000 2.176 49 G HA2 -0.205 3.755 3.960 0.000 0.000 0.232 49 G HA3 -0.205 3.755 3.960 0.000 0.000 0.232 49 G C -0.044 174.865 174.900 0.015 0.000 0.986 49 G CA -0.097 45.013 45.100 0.017 0.000 0.643 49 G HN 0.543 nan 8.290 nan 0.000 0.522 50 K N -0.149 120.261 120.400 0.017 0.000 2.371 50 K HA 0.681 5.001 4.320 0.000 0.000 0.251 50 K C -0.308 176.305 176.600 0.021 0.000 0.934 50 K CA -0.923 55.373 56.287 0.015 0.000 0.798 50 K CB 2.084 34.591 32.500 0.012 0.000 1.204 50 K HN 0.130 nan 8.250 nan 0.000 0.427 51 I N 2.811 123.392 120.570 0.019 0.000 2.301 51 I HA 0.126 4.296 4.170 0.000 0.000 0.292 51 I C -0.209 175.926 176.117 0.029 0.000 1.046 51 I CA -0.703 60.615 61.300 0.029 0.000 1.282 51 I CB 0.747 38.758 38.000 0.018 0.000 1.409 51 I HN 0.536 nan 8.210 nan 0.000 0.484 52 c N 5.827 124.452 118.600 0.041 0.000 2.627 52 c HA 0.011 4.581 4.570 0.000 0.000 0.404 52 c C 1.615 175.727 174.090 0.037 0.000 1.340 52 c CA -0.768 55.581 56.329 0.032 0.000 1.758 52 c CB -0.987 41.541 42.510 0.029 0.000 2.501 52 c HN 0.774 nan 8.230 nan 0.000 0.588 53 N N 2.216 120.929 118.700 0.022 0.000 2.466 53 N HA -0.054 4.686 4.740 0.000 0.000 0.211 53 N C -0.471 175.049 175.510 0.016 0.000 1.256 53 N CA 0.328 53.393 53.050 0.024 0.000 0.840 53 N CB -0.517 37.977 38.487 0.012 0.000 1.079 53 N HN 0.809 nan 8.380 nan 0.000 0.466 54 N N -0.525 118.176 118.700 0.001 0.000 2.452 54 N HA 0.239 4.979 4.740 0.000 0.000 0.277 54 N C -2.721 172.733 175.510 -0.093 0.000 1.078 54 N CA -1.188 51.840 53.050 -0.037 0.000 0.947 54 N CB 2.422 40.893 38.487 -0.026 0.000 1.655 54 N HN -0.166 nan 8.380 nan 0.000 0.490 55 P HA 0.104 nan 4.420 nan 0.000 0.261 55 P C -0.881 176.292 177.300 -0.212 0.000 1.352 55 P CA 0.343 63.315 63.100 -0.214 0.000 0.891 55 P CB 0.175 31.738 31.700 -0.229 0.000 1.383 56 H N 0.494 119.625 119.070 0.103 0.000 2.458 56 H HA 0.281 4.838 4.556 0.000 0.000 0.330 56 H C 0.336 175.706 175.328 0.070 0.000 1.111 56 H CA -0.667 55.456 56.048 0.125 0.000 1.245 56 H CB 1.460 31.374 29.762 0.252 0.000 1.456 56 H HN -0.017 nan 8.280 nan 0.000 0.488 57 R N 3.663 124.269 120.500 0.177 0.000 2.345 57 R HA 0.085 4.425 4.340 0.000 0.000 0.331 57 R C -0.551 175.812 176.300 0.105 0.000 1.067 57 R CA -0.417 55.750 56.100 0.112 0.000 0.962 57 R CB -0.297 30.061 30.300 0.098 0.000 0.987 57 R HN 0.376 nan 8.270 nan 0.000 0.451 58 I N 6.593 127.200 120.570 0.061 0.000 2.301 58 I HA 0.101 4.271 4.170 0.000 0.000 0.292 58 I C -0.220 175.869 176.117 -0.047 0.000 1.046 58 I CA -0.825 60.475 61.300 -0.000 0.000 1.282 58 I CB 0.722 38.716 38.000 -0.009 0.000 1.409 58 I HN 0.505 nan 8.210 nan 0.000 0.484 59 L N 6.987 128.137 121.223 -0.122 0.000 2.272 59 L HA 0.372 4.712 4.340 0.000 0.000 0.284 59 L C -0.040 176.484 176.870 -0.577 0.000 1.045 59 L CA -0.122 54.565 54.840 -0.256 0.000 0.842 59 L CB 0.465 42.386 42.059 -0.230 0.000 1.224 59 L HN 0.388 nan 8.230 nan 0.000 0.430 60 D N 2.969 123.161 120.400 -0.346 0.000 2.371 60 D HA 0.167 4.808 4.640 0.000 0.000 0.256 60 D C 1.155 177.198 176.300 -0.429 0.000 1.193 60 D CA 0.584 54.376 54.000 -0.346 0.000 0.881 60 D CB 1.874 42.588 40.800 -0.144 0.000 1.143 60 D HN 0.699 nan 8.370 nan 0.000 0.473 61 G N 3.792 112.202 108.800 -0.649 0.000 2.464 61 G HA2 -0.017 3.943 3.960 0.000 0.000 0.217 61 G HA3 -0.017 3.943 3.960 0.000 0.000 0.217 61 G C 1.392 176.263 174.900 -0.048 0.000 1.138 61 G CA 0.707 45.472 45.100 -0.557 0.000 0.793 61 G HN 0.763 nan 8.290 nan 0.000 0.539 62 I N 0.045 120.592 120.570 -0.038 0.000 4.906 62 I HA -0.365 3.805 4.170 0.000 0.000 0.038 62 I C 0.827 176.958 176.117 0.023 0.000 0.635 62 I CA 1.891 63.209 61.300 0.030 0.000 0.213 62 I CB -0.789 37.264 38.000 0.088 0.000 0.323 62 I HN 0.063 nan 8.210 nan 0.000 0.150 63 D N 1.497 121.917 120.400 0.034 0.000 2.328 63 D HA 0.223 4.863 4.640 0.000 0.000 0.226 63 D C -0.194 175.999 176.300 -0.178 0.000 1.066 63 D CA 0.544 54.480 54.000 -0.106 0.000 0.861 63 D CB -0.083 40.620 40.800 -0.162 0.000 0.912 63 D HN 0.220 nan 8.370 nan 0.000 0.521 64 c N 0.370 118.928 118.600 -0.070 0.000 2.529 64 c HA 0.591 5.161 4.570 0.000 0.000 0.329 64 c C 0.845 174.871 174.090 -0.106 0.000 1.194 64 c CA -0.779 55.467 56.329 -0.139 0.000 1.779 64 c CB 1.617 44.051 42.510 -0.126 0.000 2.322 64 c HN 0.261 nan 8.230 nan 0.000 0.500 65 T N -0.073 114.395 114.554 -0.143 0.000 2.910 65 T HA 0.399 4.749 4.350 0.000 0.000 0.279 65 T C 0.818 175.247 174.700 -0.452 0.000 0.989 65 T CA -0.590 61.409 62.100 -0.168 0.000 0.968 65 T CB 0.608 69.437 68.868 -0.066 0.000 1.135 65 T HN 0.380 nan 8.240 nan 0.000 0.562 66 L N 0.300 121.084 121.223 -0.732 0.000 2.056 66 L HA 0.072 4.413 4.340 0.000 0.000 0.207 66 L C 2.242 178.701 176.870 -0.684 0.000 1.078 66 L CA 1.387 55.563 54.840 -1.106 0.000 0.749 66 L CB -1.159 40.193 42.059 -1.179 0.000 0.901 66 L HN 0.685 nan 8.230 nan 0.000 0.433 67 I N -0.017 120.231 120.570 -0.537 0.000 2.208 67 I HA -0.281 3.889 4.170 0.000 0.000 0.245 67 I C 2.120 178.019 176.117 -0.364 0.000 1.097 67 I CA 1.310 62.321 61.300 -0.481 0.000 1.363 67 I CB -1.471 36.222 38.000 -0.512 0.000 1.051 67 I HN 0.322 nan 8.210 nan 0.000 0.413 68 D N 0.912 121.165 120.400 -0.244 0.000 2.178 68 D HA -0.057 4.583 4.640 0.000 0.000 0.202 68 D C 2.257 178.433 176.300 -0.207 0.000 0.974 68 D CA 1.386 55.273 54.000 -0.189 0.000 0.841 68 D CB 0.082 40.817 40.800 -0.108 0.000 0.953 68 D HN 0.314 nan 8.370 nan 0.000 0.478 69 A N 0.686 123.350 122.820 -0.261 0.000 1.968 69 A HA -0.083 4.237 4.320 0.000 0.000 0.217 69 A C 2.137 179.646 177.584 -0.125 0.000 1.169 69 A CA 0.691 52.628 52.037 -0.166 0.000 0.638 69 A CB -0.501 18.297 19.000 -0.337 0.000 0.812 69 A HN 0.221 nan 8.150 nan 0.000 0.446 70 L N -0.069 121.001 121.223 -0.254 0.000 1.961 70 L HA -0.084 4.257 4.340 0.000 0.000 0.209 70 L C 2.313 179.131 176.870 -0.086 0.000 1.075 70 L CA 1.833 56.528 54.840 -0.242 0.000 0.749 70 L CB -0.552 41.212 42.059 -0.492 0.000 0.890 70 L HN 0.377 nan 8.230 nan 0.000 0.433 71 L N -0.075 120.987 121.223 -0.269 0.000 2.081 71 L HA -0.092 4.248 4.340 0.000 0.000 0.212 71 L C 1.505 178.292 176.870 -0.138 0.000 1.080 71 L CA 1.126 55.755 54.840 -0.351 0.000 0.754 71 L CB -1.023 40.501 42.059 -0.891 0.000 0.893 71 L HN 0.724 nan 8.230 nan 0.000 0.433 72 G N -0.165 108.602 108.800 -0.054 0.000 2.173 72 G HA2 -0.198 3.762 3.960 0.000 0.000 0.174 72 G HA3 -0.198 3.762 3.960 0.000 0.000 0.174 72 G C -0.102 174.868 174.900 0.117 0.000 1.025 72 G CA -0.106 45.012 45.100 0.031 0.000 0.706 72 G HN 0.307 nan 8.290 nan 0.000 0.499 73 D N 0.299 120.778 120.400 0.131 0.000 2.493 73 D HA 0.143 4.784 4.640 0.000 0.000 0.240 73 D C -0.159 176.173 176.300 0.054 0.000 1.142 73 D CA -1.026 53.058 54.000 0.141 0.000 0.872 73 D CB 1.115 41.964 40.800 0.082 0.000 1.173 73 D HN 0.131 nan 8.370 nan 0.000 0.467 74 P HA -0.192 nan 4.420 nan 0.000 0.218 74 P C 0.955 178.335 177.300 0.132 0.000 1.152 74 P CA 1.481 64.639 63.100 0.097 0.000 0.857 74 P CB -0.143 31.620 31.700 0.106 0.000 0.787 75 H N -2.764 116.353 119.070 0.078 0.000 2.547 75 H HA 0.205 4.761 4.556 0.000 0.000 0.266 75 H C 0.553 175.914 175.328 0.056 0.000 0.988 75 H CA 0.432 56.523 56.048 0.071 0.000 1.147 75 H CB -0.831 29.006 29.762 0.124 0.000 1.365 75 H HN 0.158 nan 8.280 nan 0.000 0.589 76 c N 0.746 119.249 118.600 -0.161 0.000 3.403 76 c HA 0.046 4.616 4.570 0.000 0.000 0.317 76 c C 1.613 175.759 174.090 0.095 0.000 1.346 76 c CA 0.242 56.567 56.329 -0.006 0.000 1.743 76 c CB -0.168 42.301 42.510 -0.067 0.000 2.308 76 c HN 0.680 nan 8.230 nan 0.000 0.675 77 D N 1.379 121.789 120.400 0.017 0.000 2.411 77 D HA -0.111 4.529 4.640 0.000 0.000 0.226 77 D C 1.549 177.826 176.300 -0.039 0.000 0.988 77 D CA 0.398 54.406 54.000 0.014 0.000 0.938 77 D CB -0.212 40.591 40.800 0.005 0.000 0.883 77 D HN 0.338 nan 8.370 nan 0.000 0.525 78 V N -0.745 119.071 119.914 -0.163 0.000 3.217 78 V HA -0.027 4.093 4.120 0.000 0.000 0.264 78 V C 0.639 176.526 176.094 -0.345 0.000 1.135 78 V CA 0.891 63.012 62.300 -0.299 0.000 1.142 78 V CB -0.580 30.967 31.823 -0.460 0.000 0.754 78 V HN 0.180 nan 8.190 nan 0.000 0.484 79 F N 0.182 120.129 119.950 -0.005 0.000 2.693 79 F HA 0.365 4.892 4.527 0.000 0.000 0.303 79 F C 1.323 177.160 175.800 0.060 0.000 1.097 79 F CA -0.525 57.491 58.000 0.028 0.000 1.330 79 F CB -0.312 38.707 39.000 0.031 0.000 1.067 79 F HN 0.158 nan 8.300 nan 0.000 0.565 80 Q N 1.544 121.440 119.800 0.160 0.000 2.283 80 Q HA -0.085 4.255 4.340 0.000 0.000 0.301 80 Q C 0.343 176.429 176.000 0.144 0.000 1.063 80 Q CA 0.335 56.215 55.803 0.128 0.000 0.952 80 Q CB 0.073 28.841 28.738 0.051 0.000 1.166 80 Q HN 0.273 nan 8.270 nan 0.000 0.381 81 N N 0.991 119.796 118.700 0.175 0.000 2.741 81 N HA -0.155 4.585 4.740 0.000 0.000 0.251 81 N C -0.717 174.902 175.510 0.182 0.000 1.112 81 N CA 0.960 54.105 53.050 0.158 0.000 0.750 81 N CB -0.457 38.085 38.487 0.092 0.000 1.119 81 N HN 0.561 nan 8.380 nan 0.000 0.561 82 E N 0.555 120.920 120.200 0.275 0.000 2.392 82 E HA 0.325 4.675 4.350 0.000 0.000 0.259 82 E C 0.938 177.783 176.600 0.408 0.000 1.108 82 E CA 0.296 56.900 56.400 0.341 0.000 0.916 82 E CB 0.865 30.831 29.700 0.443 0.000 0.989 82 E HN 0.424 nan 8.360 nan 0.000 0.432 83 T N -1.390 113.378 114.554 0.356 0.000 2.901 83 T HA 0.794 5.145 4.350 0.000 0.000 0.293 83 T C -0.886 174.042 174.700 0.380 0.000 1.084 83 T CA -0.970 61.220 62.100 0.151 0.000 1.008 83 T CB 1.224 70.085 68.868 -0.012 0.000 1.170 83 T HN 0.632 nan 8.240 nan 0.000 0.509 84 W N -0.252 121.056 121.300 0.013 0.000 3.057 84 W HA 0.670 5.330 4.660 0.000 0.000 0.328 84 W C -1.026 175.476 176.519 -0.028 0.000 1.232 84 W CA -0.817 56.527 57.345 -0.001 0.000 1.187 84 W CB 0.229 29.704 29.460 0.025 0.000 1.417 84 W HN 0.472 nan 8.180 nan 0.000 0.569 85 D N 0.393 120.885 120.400 0.154 0.000 2.394 85 D HA 0.152 4.792 4.640 0.000 0.000 0.226 85 D C -0.532 175.776 176.300 0.014 0.000 0.990 85 D CA 0.808 54.831 54.000 0.039 0.000 0.902 85 D CB 0.928 41.795 40.800 0.111 0.000 1.038 85 D HN 0.229 nan 8.370 nan 0.000 0.499 86 L N 0.556 121.828 121.223 0.082 0.000 2.528 86 L HA 0.361 4.702 4.340 0.000 0.000 0.267 86 L C -1.740 175.135 176.870 0.010 0.000 0.961 86 L CA -0.765 54.016 54.840 -0.099 0.000 0.866 86 L CB 1.779 43.530 42.059 -0.514 0.000 1.248 86 L HN -0.264 nan 8.230 nan 0.000 0.404 87 F N 5.562 125.361 119.950 -0.253 0.000 2.411 87 F HA 0.627 5.155 4.527 0.000 0.000 0.350 87 F C -0.410 175.189 175.800 -0.334 0.000 1.114 87 F CA -0.318 57.355 58.000 -0.545 0.000 1.135 87 F CB 1.206 39.580 39.000 -1.045 0.000 1.120 87 F HN 0.213 nan 8.300 nan 0.000 0.495 88 V N 6.129 125.835 119.914 -0.347 0.000 2.311 88 V HA 0.215 4.336 4.120 0.000 0.000 0.275 88 V C -0.220 175.795 176.094 -0.131 0.000 1.022 88 V CA -0.820 61.377 62.300 -0.171 0.000 0.830 88 V CB 0.872 32.590 31.823 -0.175 0.000 1.012 88 V HN 0.659 nan 8.190 nan 0.000 0.452 89 E N 4.822 125.039 120.200 0.029 0.000 2.180 89 E HA 0.295 4.645 4.350 0.000 0.000 0.283 89 E C -0.227 176.366 176.600 -0.012 0.000 1.061 89 E CA -0.673 55.754 56.400 0.044 0.000 0.861 89 E CB 0.884 30.605 29.700 0.036 0.000 1.056 89 E HN 0.429 nan 8.360 nan 0.000 0.407 90 R N 1.160 121.648 120.500 -0.019 0.000 2.490 90 R HA 0.050 4.391 4.340 0.000 0.000 0.278 90 R C 1.226 177.530 176.300 0.006 0.000 1.069 90 R CA -0.130 55.964 56.100 -0.011 0.000 1.080 90 R CB 0.738 31.035 30.300 -0.006 0.000 1.030 90 R HN 0.613 nan 8.270 nan 0.000 0.491 91 S N 1.466 117.172 115.700 0.010 0.000 2.453 91 S HA -0.157 4.313 4.470 0.000 0.000 0.231 91 S C 1.322 175.946 174.600 0.041 0.000 1.005 91 S CA 0.990 59.200 58.200 0.017 0.000 0.949 91 S CB -0.111 63.096 63.200 0.011 0.000 0.774 91 S HN 0.680 nan 8.310 nan 0.000 0.510 92 K N 1.829 122.262 120.400 0.055 0.000 2.432 92 K HA 0.356 4.676 4.320 0.000 0.000 0.196 92 K C 0.893 177.588 176.600 0.157 0.000 1.038 92 K CA 0.487 56.834 56.287 0.101 0.000 0.986 92 K CB -0.526 32.035 32.500 0.101 0.000 0.782 92 K HN 0.340 nan 8.250 nan 0.000 0.485 93 A N 1.661 124.533 122.820 0.086 0.000 2.613 93 A HA 0.256 4.576 4.320 0.000 0.000 0.230 93 A C -0.051 177.613 177.584 0.132 0.000 1.051 93 A CA 0.243 52.298 52.037 0.030 0.000 0.754 93 A CB -0.452 18.545 19.000 -0.005 0.000 0.979 93 A HN 0.512 nan 8.150 nan 0.000 0.510 94 F N -1.249 118.793 119.950 0.154 0.000 2.685 94 F HA 0.760 5.287 4.527 0.000 0.000 0.315 94 F C -0.343 175.606 175.800 0.248 0.000 1.126 94 F CA -1.024 57.049 58.000 0.121 0.000 0.950 94 F CB 1.052 40.069 39.000 0.029 0.000 1.360 94 F HN 0.328 nan 8.300 nan 0.000 0.469 95 S N 1.150 117.147 115.700 0.494 0.000 2.454 95 S HA 0.513 4.983 4.470 0.000 0.000 0.306 95 S C -1.194 173.717 174.600 0.517 0.000 1.100 95 S CA -0.619 57.884 58.200 0.506 0.000 1.087 95 S CB 1.203 64.632 63.200 0.380 0.000 1.019 95 S HN 0.721 nan 8.310 nan 0.000 0.480 96 N N 1.440 120.452 118.700 0.520 0.000 2.727 96 N HA 0.525 5.265 4.740 0.000 0.000 0.252 96 N C -1.065 174.578 175.510 0.222 0.000 1.283 96 N CA -0.182 53.041 53.050 0.288 0.000 0.782 96 N CB 0.658 39.267 38.487 0.203 0.000 1.199 96 N HN 0.652 nan 8.380 nan 0.000 0.520 97 c N 1.778 120.457 118.600 0.132 0.000 3.271 97 c HA 0.356 4.926 4.570 0.000 0.000 0.362 97 c C -1.250 172.795 174.090 -0.075 0.000 1.567 97 c CA -0.901 55.391 56.329 -0.060 0.000 1.144 97 c CB -0.319 42.069 42.510 -0.204 0.000 1.807 97 c HN 0.548 nan 8.230 nan 0.000 0.423 98 Y N 3.979 124.022 120.300 -0.428 0.000 2.802 98 Y HA 0.220 4.770 4.550 0.000 0.000 0.333 98 Y C -1.552 174.452 175.900 0.173 0.000 1.244 98 Y CA -0.295 57.693 58.100 -0.188 0.000 1.558 98 Y CB 0.511 38.720 38.460 -0.418 0.000 1.233 98 Y HN 0.370 nan 8.280 nan 0.000 0.547 99 P HA -0.025 nan 4.420 nan 0.000 0.264 99 P C -1.412 176.142 177.300 0.423 0.000 1.229 99 P CA 0.675 63.917 63.100 0.237 0.000 0.780 99 P CB -0.178 31.543 31.700 0.034 0.000 0.808 100 Y N 1.749 122.183 120.300 0.224 0.000 2.773 100 Y HA 0.795 5.345 4.550 0.000 0.000 0.323 100 Y C -0.789 175.156 175.900 0.074 0.000 1.183 100 Y CA -1.459 56.733 58.100 0.153 0.000 1.144 100 Y CB 1.209 39.727 38.460 0.096 0.000 1.340 100 Y HN 0.334 nan 8.280 nan 0.000 0.531 101 D N -0.469 119.880 120.400 -0.086 0.000 2.753 101 D HA 0.421 5.061 4.640 0.000 0.000 0.224 101 D C -1.888 174.405 176.300 -0.012 0.000 1.213 101 D CA -0.552 53.340 54.000 -0.178 0.000 0.833 101 D CB 2.514 43.268 40.800 -0.077 0.000 1.607 101 D HN 0.529 nan 8.370 nan 0.000 0.463 102 V N 2.151 122.084 119.914 0.032 0.000 2.304 102 V HA 0.316 4.436 4.120 0.000 0.000 0.278 102 V C -2.343 173.771 176.094 0.033 0.000 1.018 102 V CA -1.458 60.870 62.300 0.047 0.000 0.814 102 V CB 1.027 32.932 31.823 0.137 0.000 1.021 102 V HN 0.449 nan 8.190 nan 0.000 0.440 103 P HA 0.140 nan 4.420 nan 0.000 0.264 103 P C 0.244 177.614 177.300 0.116 0.000 1.193 103 P CA 0.532 63.626 63.100 -0.010 0.000 0.763 103 P CB 0.235 31.881 31.700 -0.089 0.000 0.810 104 D N 1.844 122.330 120.400 0.144 0.000 2.746 104 D HA -0.265 4.375 4.640 0.000 0.000 0.236 104 D C 0.361 176.771 176.300 0.183 0.000 1.129 104 D CA 0.506 54.630 54.000 0.205 0.000 0.691 104 D CB -1.660 39.323 40.800 0.306 0.000 1.077 104 D HN 0.409 nan 8.370 nan 0.000 0.432 105 Y N 0.394 120.688 120.300 -0.010 0.000 2.069 105 Y HA -0.256 4.294 4.550 0.000 0.000 0.278 105 Y C 2.326 178.154 175.900 -0.120 0.000 1.175 105 Y CA 3.325 61.371 58.100 -0.091 0.000 1.134 105 Y CB -0.774 37.634 38.460 -0.086 0.000 0.965 105 Y HN 0.238 nan 8.280 nan 0.000 0.498 106 A N -0.615 122.335 122.820 0.218 0.000 1.903 106 A HA -0.294 4.026 4.320 0.000 0.000 0.219 106 A C 2.412 179.991 177.584 -0.009 0.000 1.191 106 A CA 2.579 54.687 52.037 0.119 0.000 0.638 106 A CB -1.342 17.740 19.000 0.137 0.000 0.823 106 A HN 0.559 nan 8.150 nan 0.000 0.451 107 S N -0.793 114.905 115.700 -0.003 0.000 2.355 107 S HA -0.114 4.356 4.470 0.000 0.000 0.222 107 S C 1.855 176.263 174.600 -0.320 0.000 1.031 107 S CA 1.339 59.516 58.200 -0.038 0.000 0.993 107 S CB -0.441 62.851 63.200 0.154 0.000 0.859 107 S HN 0.468 nan 8.310 nan 0.000 0.453 108 L N 2.328 123.165 121.223 -0.644 0.000 2.017 108 L HA -0.005 4.335 4.340 0.000 0.000 0.208 108 L C 2.338 178.815 176.870 -0.656 0.000 1.073 108 L CA 1.773 56.009 54.840 -1.008 0.000 0.745 108 L CB -0.703 40.667 42.059 -1.148 0.000 0.894 108 L HN 0.178 nan 8.230 nan 0.000 0.432 109 R N -1.353 118.815 120.500 -0.553 0.000 2.127 109 R HA -0.172 4.169 4.340 0.000 0.000 0.238 109 R C 2.444 178.578 176.300 -0.278 0.000 1.134 109 R CA 1.604 57.435 56.100 -0.449 0.000 0.975 109 R CB -0.320 29.769 30.300 -0.352 0.000 0.865 109 R HN 0.511 nan 8.270 nan 0.000 0.447 110 S N 0.365 115.956 115.700 -0.183 0.000 2.362 110 S HA -0.088 4.383 4.470 0.000 0.000 0.221 110 S C 1.936 176.414 174.600 -0.204 0.000 1.032 110 S CA 1.057 59.226 58.200 -0.052 0.000 0.973 110 S CB -0.228 63.037 63.200 0.107 0.000 0.849 110 S HN 0.433 nan 8.310 nan 0.000 0.465 111 L N 0.891 121.982 121.223 -0.220 0.000 2.201 111 L HA 0.153 4.493 4.340 0.000 0.000 0.212 111 L C 2.068 178.791 176.870 -0.245 0.000 1.105 111 L CA 1.390 56.102 54.840 -0.214 0.000 0.775 111 L CB -0.995 40.953 42.059 -0.185 0.000 0.913 111 L HN 0.180 nan 8.230 nan 0.000 0.440 112 V N 0.640 120.377 119.914 -0.295 0.000 2.407 112 V HA -0.068 4.052 4.120 0.000 0.000 0.245 112 V C 3.051 179.115 176.094 -0.049 0.000 1.041 112 V CA 1.384 63.547 62.300 -0.228 0.000 1.040 112 V CB -1.183 30.441 31.823 -0.331 0.000 0.671 112 V HN 0.589 nan 8.190 nan 0.000 0.455 113 A N -0.361 122.414 122.820 -0.076 0.000 1.892 113 A HA -0.288 4.033 4.320 0.000 0.000 0.218 113 A C 2.540 180.112 177.584 -0.020 0.000 1.188 113 A CA 2.551 54.647 52.037 0.099 0.000 0.631 113 A CB -0.869 18.087 19.000 -0.072 0.000 0.822 113 A HN 0.466 nan 8.150 nan 0.000 0.447 114 S N -1.262 114.247 115.700 -0.318 0.000 2.428 114 S HA -0.077 4.393 4.470 0.000 0.000 0.230 114 S C 2.231 176.688 174.600 -0.238 0.000 1.014 114 S CA 1.419 59.424 58.200 -0.325 0.000 0.957 114 S CB -0.373 62.595 63.200 -0.387 0.000 0.784 114 S HN 0.596 nan 8.310 nan 0.000 0.499 115 S N 0.035 115.595 115.700 -0.234 0.000 2.383 115 S HA 0.088 4.558 4.470 0.000 0.000 0.227 115 S C 1.463 175.804 174.600 -0.431 0.000 1.026 115 S CA 1.427 59.477 58.200 -0.248 0.000 0.981 115 S CB -0.713 62.369 63.200 -0.197 0.000 0.818 115 S HN 1.063 nan 8.310 nan 0.000 0.472 116 G N 0.118 108.509 108.800 -0.682 0.000 2.153 116 G HA2 -0.209 3.751 3.960 0.000 0.000 0.252 116 G HA3 -0.209 3.751 3.960 0.000 0.000 0.252 116 G C 0.216 174.026 174.900 -1.816 0.000 0.994 116 G CA 0.707 44.891 45.100 -1.527 0.000 0.698 116 G HN 0.845 nan 8.290 nan 0.000 0.521 117 T N -1.095 112.768 114.554 -1.152 0.000 2.942 117 T HA 0.559 4.909 4.350 0.000 0.000 0.327 117 T C 0.120 174.827 174.700 0.012 0.000 1.360 117 T CA -0.585 61.212 62.100 -0.505 0.000 1.055 117 T CB 1.042 69.733 68.868 -0.295 0.000 1.261 117 T HN 0.465 nan 8.240 nan 0.000 0.485 118 L N 2.790 124.179 121.223 0.276 0.000 3.110 118 L HA 0.417 4.757 4.340 0.000 0.000 0.266 118 L C 0.882 177.988 176.870 0.393 0.000 1.257 118 L CA -0.272 54.815 54.840 0.412 0.000 1.038 118 L CB 0.404 42.709 42.059 0.410 0.000 1.395 118 L HN 0.676 nan 8.230 nan 0.000 0.566 119 E N 1.769 122.087 120.200 0.197 0.000 2.168 119 E HA -0.068 4.282 4.350 0.000 0.000 0.254 119 E C -0.809 175.781 176.600 -0.018 0.000 1.228 119 E CA -0.186 56.252 56.400 0.062 0.000 0.956 119 E CB 0.175 29.845 29.700 -0.050 0.000 1.031 119 E HN 0.157 nan 8.360 nan 0.000 0.441 120 F N 5.438 125.255 119.950 -0.221 0.000 2.404 120 F HA 0.384 4.911 4.527 0.000 0.000 0.345 120 F C -0.361 175.161 175.800 -0.463 0.000 1.110 120 F CA -0.667 57.019 58.000 -0.522 0.000 1.130 120 F CB 0.682 39.336 39.000 -0.577 0.000 1.129 120 F HN 0.314 nan 8.300 nan 0.000 0.500 121 I N 5.809 125.604 120.570 -1.292 0.000 2.420 121 I HA 0.146 4.316 4.170 0.000 0.000 0.282 121 I C -0.322 175.264 176.117 -0.885 0.000 1.019 121 I CA -0.582 60.175 61.300 -0.904 0.000 1.130 121 I CB 1.466 38.858 38.000 -1.013 0.000 1.262 121 I HN 0.515 nan 8.210 nan 0.000 0.454 122 T N 5.017 119.396 114.554 -0.292 0.000 2.902 122 T HA 0.047 4.397 4.350 0.000 0.000 0.301 122 T C 1.061 175.787 174.700 0.043 0.000 1.012 122 T CA 0.160 62.283 62.100 0.038 0.000 1.151 122 T CB 1.153 70.154 68.868 0.221 0.000 0.946 122 T HN 0.590 nan 8.240 nan 0.000 0.542 123 E N 1.155 121.454 120.200 0.164 0.000 2.413 123 E HA 0.260 4.611 4.350 0.000 0.000 0.203 123 E C 0.997 177.624 176.600 0.046 0.000 0.957 123 E CA -0.077 56.402 56.400 0.132 0.000 0.950 123 E CB 0.452 30.267 29.700 0.193 0.000 0.957 123 E HN 0.961 nan 8.360 nan 0.000 0.497 124 G N 2.017 110.906 108.800 0.147 0.000 2.734 124 G HA2 -0.236 3.724 3.960 0.000 0.000 0.277 124 G HA3 -0.236 3.724 3.960 0.000 0.000 0.277 124 G C -0.579 174.274 174.900 -0.078 0.000 1.099 124 G CA -0.444 44.695 45.100 0.065 0.000 1.218 124 G HN 0.062 nan 8.290 nan 0.000 0.554 125 F N 0.641 120.550 119.950 -0.068 0.000 2.404 125 F HA 0.592 5.119 4.527 0.000 0.000 0.345 125 F C 1.162 176.637 175.800 -0.542 0.000 1.110 125 F CA 0.141 57.895 58.000 -0.409 0.000 1.130 125 F CB 2.122 40.796 39.000 -0.543 0.000 1.129 125 F HN 0.148 nan 8.300 nan 0.000 0.500 126 T N 4.712 119.008 114.554 -0.429 0.000 2.738 126 T HA 0.270 4.620 4.350 0.000 0.000 0.298 126 T C -1.045 173.454 174.700 -0.335 0.000 0.962 126 T CA -0.304 61.638 62.100 -0.263 0.000 0.972 126 T CB -0.152 68.619 68.868 -0.161 0.000 0.928 126 T HN 0.466 nan 8.240 nan 0.000 0.474 127 W N 4.937 126.283 121.300 0.076 0.000 2.298 127 W HA 0.335 4.995 4.660 0.000 0.000 0.327 127 W C 0.582 177.093 176.519 -0.013 0.000 0.988 127 W CA -1.061 56.303 57.345 0.032 0.000 1.448 127 W CB 0.473 29.952 29.460 0.031 0.000 1.243 127 W HN 0.568 nan 8.180 nan 0.000 0.388 128 T N -0.405 114.225 114.554 0.126 0.000 2.771 128 T HA 0.574 4.924 4.350 0.000 0.000 0.291 128 T C 0.949 175.662 174.700 0.021 0.000 0.954 128 T CA 0.144 62.278 62.100 0.056 0.000 1.045 128 T CB 1.490 70.369 68.868 0.017 0.000 0.917 128 T HN 0.968 nan 8.240 nan 0.000 0.484 129 G N 0.825 109.626 108.800 0.001 0.000 2.154 129 G HA2 -0.185 3.776 3.960 0.000 0.000 0.186 129 G HA3 -0.185 3.776 3.960 0.000 0.000 0.186 129 G C 0.261 175.109 174.900 -0.087 0.000 1.000 129 G CA 0.260 45.335 45.100 -0.042 0.000 0.664 129 G HN 1.468 nan 8.290 nan 0.000 0.513 130 V N -1.366 118.517 119.914 -0.052 0.000 3.474 130 V HA 0.452 4.572 4.120 0.000 0.000 0.195 130 V C 0.792 176.878 176.094 -0.013 0.000 1.431 130 V CA 2.381 64.642 62.300 -0.065 0.000 1.268 130 V CB 0.255 31.974 31.823 -0.174 0.000 1.195 130 V HN 1.595 nan 8.190 nan 0.000 0.542 131 T N 2.759 117.333 114.554 0.033 0.000 0.957 131 T HA -0.134 4.216 4.350 0.000 0.000 0.730 131 T C -0.190 174.514 174.700 0.007 0.000 0.983 131 T CA 1.018 63.145 62.100 0.046 0.000 3.858 131 T CB -0.879 68.006 68.868 0.028 0.000 2.186 131 T HN 0.938 nan 8.240 nan 0.000 0.390 132 Q N 2.471 122.294 119.800 0.039 0.000 3.067 132 Q HA 0.372 4.712 4.340 0.000 0.000 0.206 132 Q C 1.160 177.147 176.000 -0.022 0.000 1.160 132 Q CA 0.009 55.813 55.803 0.002 0.000 1.181 132 Q CB 0.198 28.989 28.738 0.089 0.000 1.354 132 Q HN 0.764 nan 8.270 nan 0.000 0.675 133 N N -2.143 116.547 118.700 -0.016 0.000 2.920 133 N HA -0.108 4.632 4.740 0.000 0.000 0.247 133 N C -0.391 175.063 175.510 -0.093 0.000 1.123 133 N CA 0.722 53.763 53.050 -0.014 0.000 0.711 133 N CB -1.981 36.517 38.487 0.017 0.000 1.065 133 N HN 0.742 nan 8.380 nan 0.000 0.554 134 G N -0.449 108.228 108.800 -0.204 0.000 2.554 134 G HA2 0.496 4.456 3.960 0.000 0.000 0.238 134 G HA3 0.496 4.456 3.960 0.000 0.000 0.238 134 G C 0.592 175.404 174.900 -0.147 0.000 1.259 134 G CA 0.483 45.327 45.100 -0.426 0.000 0.843 134 G HN 0.476 nan 8.290 nan 0.000 0.582 135 G N -1.286 107.455 108.800 -0.098 0.000 2.718 135 G HA2 0.583 4.543 3.960 0.000 0.000 0.295 135 G HA3 0.583 4.543 3.960 0.000 0.000 0.295 135 G C -1.127 173.942 174.900 0.282 0.000 1.421 135 G CA 0.132 45.349 45.100 0.196 0.000 0.902 135 G HN 1.021 nan 8.290 nan 0.000 0.501 136 S N -0.556 115.388 115.700 0.407 0.000 2.599 136 S HA 0.440 4.910 4.470 0.000 0.000 0.287 136 S C 0.445 175.132 174.600 0.147 0.000 1.105 136 S CA -0.806 57.584 58.200 0.317 0.000 0.899 136 S CB 1.713 65.191 63.200 0.462 0.000 1.100 136 S HN 0.386 nan 8.310 nan 0.000 0.482 137 N N 1.768 120.507 118.700 0.065 0.000 2.457 137 N HA 0.060 4.801 4.740 0.000 0.000 0.180 137 N C 1.613 177.114 175.510 -0.015 0.000 1.050 137 N CA 1.104 54.165 53.050 0.019 0.000 0.906 137 N CB -0.455 38.031 38.487 -0.001 0.000 0.968 137 N HN 0.668 nan 8.380 nan 0.000 0.445 138 A N -0.532 122.253 122.820 -0.058 0.000 2.014 138 A HA -0.050 4.270 4.320 0.000 0.000 0.218 138 A C 1.532 179.080 177.584 -0.060 0.000 1.163 138 A CA 0.617 52.587 52.037 -0.111 0.000 0.652 138 A CB -0.294 18.556 19.000 -0.251 0.000 0.808 138 A HN 0.370 nan 8.150 nan 0.000 0.449 139 c N 1.451 120.038 118.600 -0.021 0.000 2.626 139 c HA 0.411 4.981 4.570 0.000 0.000 0.356 139 c C 0.317 174.426 174.090 0.030 0.000 1.398 139 c CA -1.026 55.286 56.329 -0.028 0.000 1.678 139 c CB -2.219 40.222 42.510 -0.116 0.000 2.430 139 c HN 0.379 nan 8.230 nan 0.000 0.561 140 K N 2.294 122.712 120.400 0.031 0.000 2.361 140 K HA 0.066 4.386 4.320 0.000 0.000 0.283 140 K C 0.401 177.031 176.600 0.050 0.000 1.078 140 K CA 0.493 56.805 56.287 0.041 0.000 1.041 140 K CB 0.194 32.711 32.500 0.028 0.000 0.932 140 K HN 0.550 nan 8.250 nan 0.000 0.462 141 R N 3.042 123.575 120.500 0.055 0.000 2.239 141 R HA 0.210 4.550 4.340 0.000 0.000 0.332 141 R C 0.371 176.699 176.300 0.047 0.000 0.988 141 R CA 0.493 56.627 56.100 0.056 0.000 0.859 141 R CB 0.605 30.942 30.300 0.061 0.000 1.148 141 R HN 0.880 nan 8.270 nan 0.000 0.482 142 G N 5.423 114.249 108.800 0.043 0.000 2.552 142 G HA2 -0.329 3.631 3.960 0.000 0.000 0.267 142 G HA3 -0.329 3.631 3.960 0.000 0.000 0.267 142 G C -1.501 173.416 174.900 0.029 0.000 1.174 142 G CA -0.054 45.067 45.100 0.034 0.000 0.955 142 G HN 0.571 nan 8.290 nan 0.000 0.546 143 P HA 0.333 nan 4.420 nan 0.000 0.216 143 P C 1.060 178.373 177.300 0.022 0.000 1.156 143 P CA 2.094 65.207 63.100 0.021 0.000 0.855 143 P CB -0.183 31.527 31.700 0.018 0.000 0.786 144 G N -0.927 107.889 108.800 0.025 0.000 3.140 144 G HA2 0.459 4.419 3.960 0.000 0.000 0.271 144 G HA3 0.459 4.419 3.960 0.000 0.000 0.271 144 G C -0.743 174.180 174.900 0.038 0.000 1.370 144 G CA -0.262 44.854 45.100 0.026 0.000 1.014 144 G HN 0.132 nan 8.290 nan 0.000 0.541 145 S N -1.474 114.251 115.700 0.042 0.000 2.542 145 S HA 0.458 4.928 4.470 0.000 0.000 0.287 145 S C 0.608 175.262 174.600 0.089 0.000 1.315 145 S CA 0.483 58.724 58.200 0.067 0.000 1.037 145 S CB 0.810 64.053 63.200 0.071 0.000 0.822 145 S HN 1.708 nan 8.310 nan 0.000 0.513 146 G N 0.504 109.383 108.800 0.131 0.000 2.846 146 G HA2 0.717 4.677 3.960 0.000 0.000 0.299 146 G HA3 0.717 4.677 3.960 0.000 0.000 0.299 146 G C -1.588 173.483 174.900 0.286 0.000 1.242 146 G CA -0.759 44.436 45.100 0.159 0.000 0.800 146 G HN 0.809 nan 8.290 nan 0.000 0.538 147 F N -1.928 118.015 119.950 -0.011 0.000 2.858 147 F HA 0.605 5.132 4.527 0.000 0.000 0.319 147 F C -1.337 174.381 175.800 -0.136 0.000 1.166 147 F CA -1.617 56.316 58.000 -0.113 0.000 0.899 147 F CB 0.955 39.986 39.000 0.052 0.000 1.332 147 F HN 0.387 nan 8.300 nan 0.000 0.461 148 F N 2.480 122.188 119.950 -0.403 0.000 2.569 148 F HA 0.082 4.609 4.527 0.000 0.000 0.395 148 F C 1.778 177.545 175.800 -0.055 0.000 1.028 148 F CA 0.890 58.719 58.000 -0.284 0.000 1.158 148 F CB -0.062 38.653 39.000 -0.474 0.000 1.023 148 F HN 0.444 nan 8.300 nan 0.000 0.547 149 S N 2.556 118.318 115.700 0.103 0.000 2.440 149 S HA -0.208 4.262 4.470 0.000 0.000 0.240 149 S C 1.772 176.334 174.600 -0.064 0.000 1.014 149 S CA 0.931 59.149 58.200 0.031 0.000 0.980 149 S CB -0.113 63.075 63.200 -0.020 0.000 0.775 149 S HN 0.587 nan 8.310 nan 0.000 0.499 150 R N 0.446 120.891 120.500 -0.091 0.000 2.334 150 R HA 0.483 4.824 4.340 0.000 0.000 0.212 150 R C 0.214 176.529 176.300 0.025 0.000 0.897 150 R CA -0.021 55.924 56.100 -0.258 0.000 1.056 150 R CB -0.433 29.664 30.300 -0.339 0.000 1.046 150 R HN 0.442 nan 8.270 nan 0.000 0.513 151 L N 0.590 121.911 121.223 0.164 0.000 2.331 151 L HA 0.406 4.746 4.340 0.000 0.000 0.275 151 L C -0.213 176.868 176.870 0.350 0.000 1.022 151 L CA -0.659 54.344 54.840 0.272 0.000 0.812 151 L CB 1.778 44.021 42.059 0.305 0.000 1.257 151 L HN -0.027 nan 8.230 nan 0.000 0.435 152 N N 1.029 119.880 118.700 0.250 0.000 2.479 152 N HA 0.205 4.945 4.740 0.000 0.000 0.261 152 N C -1.270 174.276 175.510 0.059 0.000 0.979 152 N CA -0.665 52.474 53.050 0.149 0.000 0.930 152 N CB 1.089 39.623 38.487 0.079 0.000 1.172 152 N HN 0.415 nan 8.380 nan 0.000 0.499 153 W N 6.519 127.646 121.300 -0.289 0.000 2.388 153 W HA 0.338 4.998 4.660 0.000 0.000 0.308 153 W C -1.328 175.013 176.519 -0.297 0.000 1.263 153 W CA -0.766 56.300 57.345 -0.466 0.000 1.286 153 W CB 0.078 28.924 29.460 -1.024 0.000 1.294 153 W HN 0.389 nan 8.180 nan 0.000 0.493 154 L N 7.764 129.071 121.223 0.141 0.000 2.305 154 L HA 0.372 4.712 4.340 0.000 0.000 0.284 154 L C 1.036 178.048 176.870 0.237 0.000 1.013 154 L CA -0.448 54.408 54.840 0.026 0.000 0.819 154 L CB 1.479 43.481 42.059 -0.094 0.000 1.227 154 L HN 0.427 nan 8.230 nan 0.000 0.417 155 T N -0.143 114.445 114.554 0.057 0.000 2.847 155 T HA 0.442 4.792 4.350 0.000 0.000 0.237 155 T C -0.177 174.671 174.700 0.248 0.000 1.049 155 T CA -0.637 61.498 62.100 0.058 0.000 1.107 155 T CB 0.565 69.237 68.868 -0.327 0.000 2.638 155 T HN 0.507 nan 8.240 nan 0.000 0.487 156 K N 0.110 120.546 120.400 0.060 0.000 2.316 156 K HA 0.723 5.043 4.320 0.000 0.000 0.251 156 K C -0.981 175.632 176.600 0.022 0.000 0.934 156 K CA -0.681 55.682 56.287 0.128 0.000 0.802 156 K CB 2.143 34.695 32.500 0.086 0.000 1.171 156 K HN 0.393 nan 8.250 nan 0.000 0.426 157 S N 1.374 117.089 115.700 0.025 0.000 2.475 157 S HA 0.590 5.060 4.470 0.000 0.000 0.298 157 S C 0.802 175.405 174.600 0.005 0.000 1.119 157 S CA 0.641 58.839 58.200 -0.002 0.000 1.085 157 S CB 0.687 63.882 63.200 -0.008 0.000 1.028 157 S HN 1.055 nan 8.310 nan 0.000 0.489 158 G N 3.586 112.383 108.800 -0.005 0.000 4.230 158 G HA2 -0.312 3.648 3.960 0.000 0.000 0.340 158 G HA3 -0.312 3.648 3.960 0.000 0.000 0.340 158 G C 0.339 175.241 174.900 0.003 0.000 1.315 158 G CA 0.963 46.062 45.100 -0.001 0.000 1.033 158 G HN 1.869 nan 8.290 nan 0.000 0.741 159 S N -0.600 115.110 115.700 0.016 0.000 2.795 159 S HA 0.531 5.001 4.470 0.000 0.000 0.230 159 S C -0.279 174.348 174.600 0.044 0.000 0.749 159 S CA 0.828 59.041 58.200 0.022 0.000 1.066 159 S CB 0.191 63.399 63.200 0.014 0.000 1.466 159 S HN 1.964 nan 8.310 nan 0.000 0.502 160 T N -0.914 113.679 114.554 0.065 0.000 2.821 160 T HA 0.649 4.999 4.350 0.000 0.000 0.306 160 T C -1.846 172.955 174.700 0.168 0.000 1.313 160 T CA -0.735 61.426 62.100 0.102 0.000 1.012 160 T CB 1.735 70.645 68.868 0.070 0.000 1.298 160 T HN 0.172 nan 8.240 nan 0.000 0.502 161 Y N 1.480 121.810 120.300 0.050 0.000 2.609 161 Y HA 0.472 5.022 4.550 0.000 0.000 0.350 161 Y C -2.850 173.089 175.900 0.066 0.000 1.050 161 Y CA -1.987 56.154 58.100 0.069 0.000 1.290 161 Y CB 1.085 39.607 38.460 0.104 0.000 1.094 161 Y HN 0.471 nan 8.280 nan 0.000 0.583 162 P HA 0.007 nan 4.420 nan 0.000 0.266 162 P C -0.623 176.688 177.300 0.019 0.000 1.195 162 P CA -0.015 63.088 63.100 0.005 0.000 0.768 162 P CB 0.799 32.479 31.700 -0.033 0.000 0.838 163 V N 4.956 124.915 119.914 0.074 0.000 2.420 163 V HA -0.089 4.031 4.120 0.000 0.000 0.274 163 V C 0.786 176.919 176.094 0.065 0.000 1.003 163 V CA 0.430 62.787 62.300 0.095 0.000 1.092 163 V CB -1.056 30.811 31.823 0.074 0.000 1.002 163 V HN 0.363 nan 8.190 nan 0.000 0.473 164 L N 5.093 126.368 121.223 0.086 0.000 2.462 164 L HA 0.219 4.560 4.340 0.000 0.000 0.272 164 L C 0.491 177.430 176.870 0.114 0.000 1.166 164 L CA 0.347 55.260 54.840 0.123 0.000 0.880 164 L CB 0.075 42.262 42.059 0.214 0.000 1.142 164 L HN 0.740 nan 8.230 nan 0.000 0.473 165 N N 3.288 122.037 118.700 0.081 0.000 2.653 165 N HA 0.418 5.158 4.740 0.000 0.000 0.261 165 N C -1.142 174.370 175.510 0.004 0.000 1.216 165 N CA -0.552 52.521 53.050 0.038 0.000 0.784 165 N CB 1.154 39.649 38.487 0.015 0.000 1.327 165 N HN 0.308 nan 8.380 nan 0.000 0.539 166 V N -0.621 119.295 119.914 0.003 0.000 3.046 166 V HA 0.863 4.983 4.120 0.000 0.000 0.316 166 V C -0.005 176.069 176.094 -0.034 0.000 1.104 166 V CA -0.545 61.719 62.300 -0.061 0.000 1.006 166 V CB 1.532 33.259 31.823 -0.159 0.000 1.058 166 V HN 0.402 nan 8.190 nan 0.000 0.440 167 T N 2.192 116.696 114.554 -0.083 0.000 2.896 167 T HA 0.754 5.104 4.350 0.000 0.000 0.297 167 T C -1.361 173.241 174.700 -0.163 0.000 1.108 167 T CA -0.490 61.559 62.100 -0.084 0.000 1.004 167 T CB 1.631 70.447 68.868 -0.087 0.000 1.159 167 T HN 1.040 nan 8.240 nan 0.000 0.499 168 M N 4.908 124.421 119.600 -0.145 0.000 2.182 168 M HA 0.483 4.963 4.480 0.000 0.000 0.266 168 M C -2.798 173.437 176.300 -0.109 0.000 0.989 168 M CA -2.282 52.899 55.300 -0.199 0.000 1.003 168 M CB 2.128 34.601 32.600 -0.211 0.000 1.812 168 M HN 0.239 nan 8.290 nan 0.000 0.472 169 P HA 0.223 nan 4.420 nan 0.000 0.281 169 P C -0.929 176.317 177.300 -0.089 0.000 1.252 169 P CA -0.166 62.881 63.100 -0.089 0.000 0.778 169 P CB 0.613 32.255 31.700 -0.096 0.000 0.895 170 N N 3.774 122.424 118.700 -0.084 0.000 2.719 170 N HA 0.057 4.797 4.740 0.000 0.000 0.243 170 N C 0.406 175.813 175.510 -0.172 0.000 1.104 170 N CA -0.089 52.880 53.050 -0.136 0.000 0.981 170 N CB -0.587 37.840 38.487 -0.100 0.000 1.290 170 N HN 0.189 nan 8.380 nan 0.000 0.513 171 N N 1.027 119.615 118.700 -0.188 0.000 2.398 171 N HA -0.002 4.738 4.740 0.000 0.000 0.188 171 N C -0.452 174.910 175.510 -0.247 0.000 1.122 171 N CA 0.198 53.144 53.050 -0.173 0.000 0.866 171 N CB 0.465 38.873 38.487 -0.131 0.000 0.970 171 N HN 0.542 nan 8.380 nan 0.000 0.462 172 D N 0.967 121.124 120.400 -0.404 0.000 2.344 172 D HA 0.026 4.666 4.640 0.000 0.000 0.244 172 D C 0.631 176.553 176.300 -0.629 0.000 1.134 172 D CA -0.121 53.475 54.000 -0.674 0.000 0.930 172 D CB 0.767 40.763 40.800 -1.341 0.000 1.175 172 D HN 0.327 nan 8.370 nan 0.000 0.437 173 N N 0.313 118.681 118.700 -0.553 0.000 2.597 173 N HA 0.180 4.920 4.740 0.000 0.000 0.269 173 N C -0.802 174.631 175.510 -0.128 0.000 1.204 173 N CA -0.416 52.482 53.050 -0.254 0.000 0.947 173 N CB -0.231 38.200 38.487 -0.093 0.000 1.258 173 N HN 0.170 nan 8.380 nan 0.000 0.508 174 F N -2.915 117.020 119.950 -0.025 0.000 2.741 174 F HA 0.514 5.042 4.527 0.000 0.000 0.313 174 F C -1.226 174.561 175.800 -0.022 0.000 1.153 174 F CA -1.950 56.043 58.000 -0.012 0.000 0.931 174 F CB 0.471 39.474 39.000 0.005 0.000 1.335 174 F HN -0.249 nan 8.300 nan 0.000 0.460 175 D N 1.481 122.091 120.400 0.350 0.000 2.350 175 D HA 0.309 4.949 4.640 0.000 0.000 0.249 175 D C -0.746 175.736 176.300 0.304 0.000 1.119 175 D CA -0.042 54.102 54.000 0.240 0.000 0.886 175 D CB 1.350 42.254 40.800 0.173 0.000 1.195 175 D HN 0.488 nan 8.370 nan 0.000 0.437 176 K N 1.330 121.855 120.400 0.208 0.000 2.274 176 K HA 0.414 4.735 4.320 0.000 0.000 0.262 176 K C -0.676 176.047 176.600 0.204 0.000 0.961 176 K CA -1.002 55.361 56.287 0.128 0.000 0.833 176 K CB 1.986 34.359 32.500 -0.211 0.000 1.102 176 K HN 0.172 nan 8.250 nan 0.000 0.436 177 L N 4.047 125.412 121.223 0.237 0.000 2.264 177 L HA 0.340 4.681 4.340 0.000 0.000 0.287 177 L C -1.573 175.524 176.870 0.379 0.000 1.039 177 L CA -0.236 54.796 54.840 0.319 0.000 0.829 177 L CB 0.054 42.250 42.059 0.228 0.000 1.211 177 L HN 0.433 nan 8.230 nan 0.000 0.427 178 Y N 5.754 126.351 120.300 0.495 0.000 2.350 178 Y HA 0.479 5.029 4.550 0.000 0.000 0.340 178 Y C 0.138 176.394 175.900 0.594 0.000 1.006 178 Y CA -0.589 57.846 58.100 0.557 0.000 1.166 178 Y CB 1.013 39.780 38.460 0.513 0.000 1.168 178 Y HN 0.359 nan 8.280 nan 0.000 0.502 179 I N 5.080 126.057 120.570 0.677 0.000 2.339 179 I HA 0.221 4.391 4.170 0.000 0.000 0.290 179 I C -0.379 176.005 176.117 0.446 0.000 0.994 179 I CA -1.000 60.546 61.300 0.411 0.000 1.191 179 I CB 0.199 38.372 38.000 0.289 0.000 1.343 179 I HN 0.761 nan 8.210 nan 0.000 0.458 180 W N 4.961 126.413 121.300 0.253 0.000 3.274 180 W HA 0.877 5.537 4.660 0.000 0.000 0.353 180 W C -0.545 176.065 176.519 0.152 0.000 1.147 180 W CA -1.236 56.213 57.345 0.173 0.000 1.054 180 W CB 1.088 30.638 29.460 0.151 0.000 1.510 180 W HN 0.604 nan 8.180 nan 0.000 0.602 181 G N -0.050 109.037 108.800 0.477 0.000 2.548 181 G HA2 0.584 4.545 3.960 0.000 0.000 0.301 181 G HA3 0.584 4.545 3.960 0.000 0.000 0.301 181 G C -2.486 172.600 174.900 0.310 0.000 1.349 181 G CA -0.954 44.318 45.100 0.287 0.000 0.792 181 G HN 0.725 nan 8.290 nan 0.000 0.481 182 I N -0.507 120.157 120.570 0.158 0.000 2.722 182 I HA 0.489 4.659 4.170 0.000 0.000 0.295 182 I C -0.955 175.070 176.117 -0.153 0.000 1.161 182 I CA -0.965 60.355 61.300 0.034 0.000 1.032 182 I CB 2.390 40.449 38.000 0.098 0.000 1.244 182 I HN 0.697 nan 8.210 nan 0.000 0.421 183 H N 6.037 124.953 119.070 -0.256 0.000 2.489 183 H HA 0.360 4.916 4.556 0.000 0.000 0.322 183 H C -1.159 174.111 175.328 -0.097 0.000 1.091 183 H CA -0.584 55.335 56.048 -0.215 0.000 1.291 183 H CB 0.821 30.551 29.762 -0.054 0.000 1.436 183 H HN 0.523 nan 8.280 nan 0.000 0.480 184 H N 6.085 124.984 119.070 -0.284 0.000 2.690 184 H HA 0.239 4.795 4.556 0.000 0.000 0.280 184 H C -2.316 172.827 175.328 -0.309 0.000 1.138 184 H CA -2.547 53.389 56.048 -0.186 0.000 1.241 184 H CB 0.888 30.620 29.762 -0.051 0.000 1.394 184 H HN 0.529 nan 8.280 nan 0.000 0.489 185 P HA -0.045 nan 4.420 nan 0.000 0.269 185 P C 1.081 178.412 177.300 0.053 0.000 1.215 185 P CA 0.164 63.264 63.100 0.001 0.000 0.780 185 P CB 1.071 32.851 31.700 0.134 0.000 0.898 186 S N 0.280 116.030 115.700 0.083 0.000 2.446 186 S HA 0.027 4.497 4.470 0.000 0.000 0.225 186 S C 0.694 175.341 174.600 0.078 0.000 1.016 186 S CA 1.148 59.398 58.200 0.084 0.000 0.943 186 S CB -0.182 63.078 63.200 0.099 0.000 0.786 186 S HN 0.643 nan 8.310 nan 0.000 0.508 187 T N -0.218 114.385 114.554 0.082 0.000 2.923 187 T HA 0.348 4.698 4.350 0.000 0.000 0.311 187 T C 0.284 175.027 174.700 0.071 0.000 1.183 187 T CA -0.731 61.411 62.100 0.070 0.000 1.020 187 T CB 1.086 69.994 68.868 0.067 0.000 1.165 187 T HN 0.117 nan 8.240 nan 0.000 0.482 188 N N 1.606 120.341 118.700 0.059 0.000 2.205 188 N HA -0.175 4.565 4.740 0.000 0.000 0.186 188 N C 1.709 177.252 175.510 0.055 0.000 1.015 188 N CA 1.645 54.730 53.050 0.058 0.000 0.862 188 N CB -0.075 38.439 38.487 0.045 0.000 0.986 188 N HN 0.709 nan 8.380 nan 0.000 0.429 189 Q N 1.728 121.557 119.800 0.048 0.000 2.061 189 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 189 Q C 1.807 177.829 176.000 0.038 0.000 0.984 189 Q CA 1.743 57.569 55.803 0.038 0.000 0.846 189 Q CB -0.394 28.367 28.738 0.038 0.000 0.902 189 Q HN 0.400 nan 8.270 nan 0.000 0.421 190 E N -0.766 119.470 120.200 0.060 0.000 2.106 190 E HA -0.277 4.073 4.350 0.000 0.000 0.192 190 E C 1.990 178.629 176.600 0.066 0.000 0.984 190 E CA 1.099 57.542 56.400 0.071 0.000 0.806 190 E CB -0.070 29.707 29.700 0.128 0.000 0.750 190 E HN 0.513 nan 8.360 nan 0.000 0.458 191 Q N 0.673 120.538 119.800 0.108 0.000 1.985 191 Q HA -0.207 4.134 4.340 0.000 0.000 0.207 191 Q C 2.166 178.205 176.000 0.065 0.000 0.996 191 Q CA 3.484 59.384 55.803 0.161 0.000 0.851 191 Q CB -1.001 27.827 28.738 0.150 0.000 0.921 191 Q HN 0.384 nan 8.270 nan 0.000 0.418 192 T N -2.055 112.523 114.554 0.039 0.000 2.635 192 T HA -0.163 4.187 4.350 0.000 0.000 0.267 192 T C 2.129 176.801 174.700 -0.047 0.000 1.040 192 T CA 1.785 63.890 62.100 0.009 0.000 1.156 192 T CB -0.991 67.887 68.868 0.017 0.000 0.863 192 T HN 0.256 nan 8.240 nan 0.000 0.430 193 S N 1.058 116.722 115.700 -0.060 0.000 2.465 193 S HA 0.160 4.630 4.470 0.000 0.000 0.241 193 S C 1.763 176.245 174.600 -0.196 0.000 1.000 193 S CA 0.801 58.944 58.200 -0.094 0.000 0.964 193 S CB -0.414 62.747 63.200 -0.066 0.000 0.763 193 S HN 0.446 nan 8.310 nan 0.000 0.512 194 L N -1.700 119.313 121.223 -0.351 0.000 2.467 194 L HA 0.209 4.549 4.340 0.000 0.000 0.213 194 L C 0.582 176.936 176.870 -0.861 0.000 1.053 194 L CA 0.627 55.027 54.840 -0.733 0.000 0.847 194 L CB 0.168 41.516 42.059 -1.186 0.000 1.075 194 L HN 0.295 nan 8.230 nan 0.000 0.479 195 Y N -2.028 118.218 120.300 -0.090 0.000 2.641 195 Y HA 0.358 4.908 4.550 0.000 0.000 0.248 195 Y C 1.315 177.119 175.900 -0.159 0.000 1.170 195 Y CA -0.635 57.300 58.100 -0.276 0.000 1.201 195 Y CB 0.078 38.286 38.460 -0.420 0.000 1.232 195 Y HN -0.222 nan 8.280 nan 0.000 0.537 196 V N -1.863 118.055 119.914 0.007 0.000 0.595 196 V HA -0.482 3.639 4.120 0.000 0.000 0.092 196 V C 1.055 177.178 176.094 0.047 0.000 1.786 196 V CA 2.063 64.387 62.300 0.041 0.000 3.384 196 V CB -1.086 30.792 31.823 0.091 0.000 0.670 196 V HN 0.482 nan 8.190 nan 0.000 0.691 197 Q N 0.545 120.378 119.800 0.055 0.000 2.369 197 Q HA 0.363 4.703 4.340 0.000 0.000 0.295 197 Q C 1.466 177.496 176.000 0.051 0.000 1.075 197 Q CA 0.673 56.506 55.803 0.051 0.000 0.941 197 Q CB 0.331 29.096 28.738 0.045 0.000 1.260 197 Q HN 0.850 nan 8.270 nan 0.000 0.417 198 A N 2.072 124.919 122.820 0.045 0.000 1.940 198 A HA -0.098 4.222 4.320 0.000 0.000 0.219 198 A C 0.984 178.599 177.584 0.052 0.000 1.176 198 A CA 1.531 53.594 52.037 0.045 0.000 0.631 198 A CB 0.240 19.262 19.000 0.036 0.000 0.814 198 A HN 0.536 nan 8.150 nan 0.000 0.446 199 S N -2.029 113.698 115.700 0.045 0.000 2.689 199 S HA 0.528 4.998 4.470 0.000 0.000 0.274 199 S C 0.198 174.813 174.600 0.025 0.000 1.176 199 S CA -0.247 57.979 58.200 0.043 0.000 1.014 199 S CB 0.793 64.015 63.200 0.037 0.000 1.071 199 S HN 0.772 nan 8.310 nan 0.000 0.478 200 G N 2.356 111.159 108.800 0.005 0.000 2.516 200 G HA2 0.693 4.653 3.960 0.000 0.000 0.276 200 G HA3 0.693 4.653 3.960 0.000 0.000 0.276 200 G C -0.381 174.505 174.900 -0.023 0.000 1.390 200 G CA -0.372 44.701 45.100 -0.045 0.000 1.050 200 G HN 0.810 nan 8.290 nan 0.000 0.519 201 R N -2.660 117.817 120.500 -0.037 0.000 2.739 201 R HA 0.441 4.781 4.340 0.000 0.000 0.266 201 R C -2.388 173.896 176.300 -0.028 0.000 1.044 201 R CA -0.538 55.552 56.100 -0.017 0.000 0.885 201 R CB 1.450 31.748 30.300 -0.003 0.000 1.260 201 R HN 0.487 nan 8.270 nan 0.000 0.477 202 V N 1.961 121.855 119.914 -0.034 0.000 2.638 202 V HA 0.590 4.710 4.120 0.000 0.000 0.306 202 V C -0.893 175.127 176.094 -0.124 0.000 1.052 202 V CA -0.586 61.672 62.300 -0.070 0.000 0.885 202 V CB 2.316 34.127 31.823 -0.020 0.000 0.999 202 V HN 0.856 nan 8.190 nan 0.000 0.424 203 T N 3.642 118.079 114.554 -0.194 0.000 3.050 203 T HA 0.499 4.849 4.350 0.000 0.000 0.310 203 T C -0.788 173.704 174.700 -0.347 0.000 0.978 203 T CA -0.381 61.590 62.100 -0.216 0.000 1.013 203 T CB 1.575 70.371 68.868 -0.120 0.000 1.000 203 T HN 0.325 nan 8.240 nan 0.000 0.447 204 V N 4.104 123.712 119.914 -0.509 0.000 2.384 204 V HA 0.769 4.889 4.120 0.000 0.000 0.287 204 V C 0.050 175.981 176.094 -0.271 0.000 1.020 204 V CA -0.517 61.427 62.300 -0.594 0.000 0.850 204 V CB 1.457 32.474 31.823 -1.343 0.000 0.987 204 V HN 1.059 nan 8.190 nan 0.000 0.436 205 S N 2.926 118.510 115.700 -0.194 0.000 2.661 205 S HA 0.935 5.406 4.470 0.000 0.000 0.285 205 S C -0.357 174.195 174.600 -0.081 0.000 1.138 205 S CA -0.363 57.776 58.200 -0.102 0.000 0.855 205 S CB 2.449 65.600 63.200 -0.082 0.000 1.136 205 S HN 0.878 nan 8.310 nan 0.000 0.484 206 T N -1.800 112.729 114.554 -0.042 0.000 2.742 206 T HA 0.533 4.883 4.350 0.000 0.000 0.282 206 T C 0.609 175.296 174.700 -0.023 0.000 1.025 206 T CA -1.084 60.999 62.100 -0.028 0.000 1.020 206 T CB 1.210 70.081 68.868 0.005 0.000 1.317 206 T HN 0.549 nan 8.240 nan 0.000 0.538 207 R N 0.056 120.546 120.500 -0.018 0.000 2.152 207 R HA -0.003 4.338 4.340 0.000 0.000 0.232 207 R C 2.397 178.692 176.300 -0.009 0.000 1.117 207 R CA 1.628 57.719 56.100 -0.016 0.000 0.981 207 R CB -0.196 30.095 30.300 -0.015 0.000 0.870 207 R HN 0.691 nan 8.270 nan 0.000 0.451 208 R N -0.502 119.998 120.500 -0.001 0.000 2.250 208 R HA 0.143 4.484 4.340 0.000 0.000 0.194 208 R C 0.641 176.944 176.300 0.005 0.000 0.927 208 R CA 0.350 56.452 56.100 0.004 0.000 1.052 208 R CB 0.355 30.662 30.300 0.013 0.000 1.055 208 R HN -0.022 nan 8.270 nan 0.000 0.537 209 S N 0.562 116.265 115.700 0.005 0.000 2.600 209 S HA 0.484 4.954 4.470 0.000 0.000 0.300 209 S C -0.884 173.711 174.600 -0.008 0.000 1.087 209 S CA -0.847 57.355 58.200 0.004 0.000 0.965 209 S CB 1.980 65.190 63.200 0.016 0.000 1.089 209 S HN 0.368 nan 8.310 nan 0.000 0.496 210 Q N 0.380 120.174 119.800 -0.011 0.000 2.435 210 Q HA 0.636 4.976 4.340 0.000 0.000 0.282 210 Q C -2.033 173.959 176.000 -0.013 0.000 1.020 210 Q CA -0.922 54.867 55.803 -0.024 0.000 0.820 210 Q CB 1.621 30.341 28.738 -0.031 0.000 1.436 210 Q HN 0.753 nan 8.270 nan 0.000 0.395 211 Q N 0.899 120.687 119.800 -0.020 0.000 2.281 211 Q HA 0.446 4.786 4.340 0.000 0.000 0.263 211 Q C -1.606 174.369 176.000 -0.041 0.000 0.989 211 Q CA -0.567 55.239 55.803 0.004 0.000 0.852 211 Q CB 2.914 31.730 28.738 0.130 0.000 1.337 211 Q HN 0.716 nan 8.270 nan 0.000 0.418 212 T N 3.215 117.740 114.554 -0.048 0.000 2.833 212 T HA 0.490 4.840 4.350 0.000 0.000 0.297 212 T C -0.412 174.252 174.700 -0.060 0.000 1.015 212 T CA -0.524 61.541 62.100 -0.059 0.000 0.963 212 T CB 0.453 69.295 68.868 -0.043 0.000 0.955 212 T HN 0.316 nan 8.240 nan 0.000 0.449 213 I N 3.844 124.369 120.570 -0.075 0.000 2.460 213 I HA 0.491 4.661 4.170 0.000 0.000 0.298 213 I C -0.105 176.018 176.117 0.010 0.000 0.989 213 I CA -1.283 59.974 61.300 -0.072 0.000 1.173 213 I CB 1.455 39.328 38.000 -0.212 0.000 1.338 213 I HN 0.466 nan 8.210 nan 0.000 0.456 214 I N 6.790 127.391 120.570 0.053 0.000 2.378 214 I HA 0.290 4.460 4.170 0.000 0.000 0.291 214 I C -2.169 174.025 176.117 0.128 0.000 0.992 214 I CA -2.269 59.068 61.300 0.062 0.000 1.154 214 I CB 1.675 39.698 38.000 0.040 0.000 1.315 214 I HN 0.210 nan 8.210 nan 0.000 0.448 215 P HA 0.080 nan 4.420 nan 0.000 0.271 215 P C -0.961 176.431 177.300 0.154 0.000 1.233 215 P CA -0.271 62.978 63.100 0.248 0.000 0.764 215 P CB 0.101 31.886 31.700 0.141 0.000 0.825 216 N N 3.715 122.454 118.700 0.064 0.000 2.426 216 N HA 0.334 5.074 4.740 0.000 0.000 0.275 216 N C -0.246 175.237 175.510 -0.046 0.000 1.019 216 N CA -0.714 52.289 53.050 -0.077 0.000 0.941 216 N CB 0.658 39.017 38.487 -0.214 0.000 1.123 216 N HN 0.280 nan 8.380 nan 0.000 0.486 217 I N 0.918 121.490 120.570 0.005 0.000 2.396 217 I HA 0.685 4.855 4.170 0.000 0.000 0.292 217 I C 0.960 177.084 176.117 0.012 0.000 0.999 217 I CA -0.319 60.998 61.300 0.029 0.000 1.310 217 I CB 1.169 39.198 38.000 0.048 0.000 1.404 217 I HN 0.816 nan 8.210 nan 0.000 0.496 218 G N 2.892 111.708 108.800 0.026 0.000 2.325 218 G HA2 0.249 4.210 3.960 0.000 0.000 0.297 218 G HA3 0.249 4.210 3.960 0.000 0.000 0.297 218 G C -1.610 173.317 174.900 0.045 0.000 1.448 218 G CA -0.767 44.349 45.100 0.026 0.000 0.838 218 G HN 0.446 nan 8.290 nan 0.000 0.579 219 S N 0.594 116.325 115.700 0.051 0.000 2.410 219 S HA 0.656 5.126 4.470 0.000 0.000 0.304 219 S C 0.436 175.078 174.600 0.070 0.000 1.095 219 S CA -0.643 57.600 58.200 0.073 0.000 1.089 219 S CB 1.435 64.683 63.200 0.080 0.000 0.968 219 S HN 0.621 nan 8.310 nan 0.000 0.480 220 R N 2.113 122.661 120.500 0.080 0.000 2.602 220 R HA 0.615 4.955 4.340 0.000 0.000 0.237 220 R C -2.559 173.804 176.300 0.105 0.000 1.219 220 R CA -1.866 54.279 56.100 0.074 0.000 1.121 220 R CB -0.614 29.727 30.300 0.069 0.000 1.408 220 R HN 0.321 nan 8.270 nan 0.000 0.559 221 P HA 0.028 nan 4.420 nan 0.000 0.274 221 P C -1.012 176.412 177.300 0.207 0.000 1.237 221 P CA -0.224 62.954 63.100 0.131 0.000 0.793 221 P CB 0.356 32.108 31.700 0.086 0.000 0.977 222 W N 2.545 123.847 121.300 0.004 0.000 2.446 222 W HA 0.328 4.988 4.660 0.000 0.000 0.316 222 W C -0.878 175.638 176.519 -0.007 0.000 1.376 222 W CA 0.683 58.029 57.345 0.001 0.000 1.300 222 W CB 0.307 29.767 29.460 -0.001 0.000 1.351 222 W HN -0.008 nan 8.180 nan 0.000 0.530 223 V N 6.834 126.788 119.914 0.066 0.000 2.482 223 V HA 0.310 4.430 4.120 0.000 0.000 0.295 223 V C 0.496 176.527 176.094 -0.106 0.000 1.026 223 V CA -1.322 60.992 62.300 0.025 0.000 0.856 223 V CB 1.502 33.332 31.823 0.011 0.000 1.001 223 V HN 0.579 nan 8.190 nan 0.000 0.424 224 R N 3.499 123.968 120.500 -0.050 0.000 3.641 224 R HA -0.204 4.137 4.340 0.000 0.000 0.286 224 R C 1.048 177.170 176.300 -0.297 0.000 1.153 224 R CA 1.079 57.110 56.100 -0.114 0.000 0.775 224 R CB -1.272 28.959 30.300 -0.115 0.000 1.215 224 R HN 1.793 nan 8.270 nan 0.000 0.474 225 G N -1.309 107.153 108.800 -0.564 0.000 2.131 225 G HA2 -0.261 3.699 3.960 0.000 0.000 0.223 225 G HA3 -0.261 3.699 3.960 0.000 0.000 0.223 225 G C -0.256 173.834 174.900 -1.351 0.000 0.990 225 G CA 0.185 44.496 45.100 -1.314 0.000 0.671 225 G HN 0.236 nan 8.290 nan 0.000 0.521 226 L N -1.059 119.539 121.223 -1.042 0.000 2.415 226 L HA 0.802 5.143 4.340 0.000 0.000 0.256 226 L C 0.886 177.513 176.870 -0.404 0.000 1.010 226 L CA -0.380 54.068 54.840 -0.654 0.000 0.826 226 L CB 2.082 43.894 42.059 -0.411 0.000 1.405 226 L HN -0.064 nan 8.230 nan 0.000 0.410 227 S N -1.524 114.081 115.700 -0.158 0.000 2.578 227 S HA 0.173 4.643 4.470 0.000 0.000 0.228 227 S C 0.280 174.917 174.600 0.061 0.000 1.022 227 S CA -0.302 57.916 58.200 0.029 0.000 0.967 227 S CB 0.428 63.705 63.200 0.127 0.000 0.914 227 S HN 0.679 nan 8.310 nan 0.000 0.515 228 S N 1.913 117.657 115.700 0.073 0.000 2.672 228 S HA 0.708 5.179 4.470 0.000 0.000 0.276 228 S C -0.088 174.647 174.600 0.225 0.000 1.207 228 S CA -0.880 57.401 58.200 0.136 0.000 1.002 228 S CB 1.324 64.637 63.200 0.189 0.000 0.998 228 S HN 0.107 nan 8.310 nan 0.000 0.542 229 R N -0.343 120.300 120.500 0.238 0.000 2.869 229 R HA 0.617 4.957 4.340 0.000 0.000 0.263 229 R C -1.251 175.177 176.300 0.215 0.000 1.066 229 R CA -0.770 55.519 56.100 0.315 0.000 0.960 229 R CB 1.146 31.603 30.300 0.262 0.000 1.221 229 R HN 0.686 nan 8.270 nan 0.000 0.474 230 I N 0.623 121.315 120.570 0.203 0.000 2.478 230 I HA 0.234 4.404 4.170 0.000 0.000 0.287 230 I C -0.400 175.742 176.117 0.041 0.000 1.042 230 I CA -0.386 60.928 61.300 0.023 0.000 1.067 230 I CB 2.338 40.347 38.000 0.015 0.000 1.233 230 I HN 0.303 nan 8.210 nan 0.000 0.431 231 S N 6.358 121.996 115.700 -0.104 0.000 2.508 231 S HA 0.574 5.044 4.470 0.000 0.000 0.284 231 S C -0.248 174.251 174.600 -0.168 0.000 1.192 231 S CA -0.541 57.617 58.200 -0.071 0.000 1.070 231 S CB 1.210 64.447 63.200 0.062 0.000 1.004 231 S HN 0.259 nan 8.310 nan 0.000 0.493 232 I N 3.132 123.517 120.570 -0.308 0.000 2.412 232 I HA 0.471 4.641 4.170 0.000 0.000 0.296 232 I C -0.740 174.989 176.117 -0.647 0.000 0.987 232 I CA -0.496 60.600 61.300 -0.339 0.000 1.180 232 I CB 0.830 38.698 38.000 -0.220 0.000 1.340 232 I HN 0.625 nan 8.210 nan 0.000 0.455 233 Y N 4.076 124.068 120.300 -0.513 0.000 2.638 233 Y HA 0.570 5.120 4.550 0.000 0.000 0.339 233 Y C -0.379 175.083 175.900 -0.730 0.000 1.084 233 Y CA -0.746 56.928 58.100 -0.709 0.000 1.068 233 Y CB 1.966 39.558 38.460 -1.446 0.000 1.294 233 Y HN 0.677 nan 8.280 nan 0.000 0.480 234 W N -1.167 119.862 121.300 -0.451 0.000 3.029 234 W HA 0.874 5.534 4.660 0.000 0.000 0.339 234 W C -2.015 174.666 176.519 0.269 0.000 1.198 234 W CA -1.094 56.163 57.345 -0.148 0.000 1.148 234 W CB 1.598 31.022 29.460 -0.059 0.000 1.451 234 W HN 0.368 nan 8.180 nan 0.000 0.564 235 T N 2.793 117.726 114.554 0.633 0.000 3.109 235 T HA 0.415 4.766 4.350 0.000 0.000 0.311 235 T C -0.929 174.090 174.700 0.533 0.000 1.011 235 T CA -0.521 61.879 62.100 0.500 0.000 1.026 235 T CB 0.861 70.062 68.868 0.556 0.000 1.047 235 T HN 0.410 nan 8.240 nan 0.000 0.448 236 I N 2.950 123.758 120.570 0.397 0.000 2.353 236 I HA 0.510 4.680 4.170 0.000 0.000 0.293 236 I C -0.389 175.900 176.117 0.286 0.000 0.992 236 I CA -0.956 60.564 61.300 0.366 0.000 1.268 236 I CB 1.591 39.770 38.000 0.300 0.000 1.387 236 I HN 0.260 nan 8.210 nan 0.000 0.478 237 V N 6.966 127.062 119.914 0.303 0.000 2.409 237 V HA 0.302 4.422 4.120 0.000 0.000 0.291 237 V C 0.175 176.352 176.094 0.138 0.000 1.020 237 V CA -0.887 61.539 62.300 0.210 0.000 0.848 237 V CB 1.530 33.512 31.823 0.266 0.000 0.990 237 V HN 0.667 nan 8.190 nan 0.000 0.430 238 K N 4.634 125.087 120.400 0.087 0.000 2.120 238 K HA 0.378 4.698 4.320 0.000 0.000 0.245 238 K C -2.496 174.106 176.600 0.002 0.000 1.024 238 K CA -1.579 54.739 56.287 0.052 0.000 0.906 238 K CB 0.593 33.121 32.500 0.046 0.000 1.051 238 K HN 0.363 nan 8.250 nan 0.000 0.491 239 P HA -0.064 nan 4.420 nan 0.000 0.265 239 P C 0.391 177.655 177.300 -0.060 0.000 1.193 239 P CA 1.036 64.088 63.100 -0.080 0.000 0.765 239 P CB 0.651 32.306 31.700 -0.075 0.000 0.823 240 G N 2.252 111.005 108.800 -0.079 0.000 2.498 240 G HA2 -0.263 3.697 3.960 0.000 0.000 0.229 240 G HA3 -0.263 3.697 3.960 0.000 0.000 0.229 240 G C 0.517 175.388 174.900 -0.049 0.000 1.156 240 G CA 0.222 45.285 45.100 -0.061 0.000 0.680 240 G HN 0.595 nan 8.290 nan 0.000 0.512 241 D N 0.293 120.672 120.400 -0.035 0.000 2.354 241 D HA 0.470 5.110 4.640 0.000 0.000 0.238 241 D C 0.291 176.572 176.300 -0.031 0.000 1.250 241 D CA 0.837 54.824 54.000 -0.022 0.000 0.911 241 D CB 1.400 42.200 40.800 0.001 0.000 1.163 241 D HN 0.780 nan 8.370 nan 0.000 0.456 242 V N 2.028 121.923 119.914 -0.032 0.000 3.007 242 V HA 0.528 4.648 4.120 0.000 0.000 0.311 242 V C -1.430 174.628 176.094 -0.060 0.000 1.120 242 V CA -0.885 61.386 62.300 -0.049 0.000 0.980 242 V CB 2.047 33.835 31.823 -0.058 0.000 1.033 242 V HN 0.445 nan 8.190 nan 0.000 0.429 243 L N 5.817 126.983 121.223 -0.095 0.000 2.305 243 L HA 0.758 5.098 4.340 0.000 0.000 0.284 243 L C -0.949 175.847 176.870 -0.124 0.000 1.013 243 L CA 0.044 54.793 54.840 -0.152 0.000 0.819 243 L CB 1.625 43.480 42.059 -0.341 0.000 1.227 243 L HN 0.505 nan 8.230 nan 0.000 0.417 244 V N 6.626 126.470 119.914 -0.116 0.000 2.459 244 V HA 0.489 4.609 4.120 0.000 0.000 0.295 244 V C -0.005 176.016 176.094 -0.122 0.000 1.029 244 V CA -0.443 61.803 62.300 -0.090 0.000 0.874 244 V CB 1.645 33.424 31.823 -0.074 0.000 0.985 244 V HN 0.589 nan 8.190 nan 0.000 0.438 245 I N 4.394 124.920 120.570 -0.074 0.000 2.382 245 I HA 0.426 4.596 4.170 0.000 0.000 0.286 245 I C -0.317 175.791 176.117 -0.014 0.000 1.002 245 I CA -0.189 61.055 61.300 -0.094 0.000 1.135 245 I CB 1.528 39.531 38.000 0.006 0.000 1.288 245 I HN 0.642 nan 8.210 nan 0.000 0.448 246 N N 3.842 122.507 118.700 -0.058 0.000 2.269 246 N HA 0.677 5.417 4.740 0.000 0.000 0.304 246 N C -1.253 174.255 175.510 -0.003 0.000 1.072 246 N CA -0.248 52.799 53.050 -0.006 0.000 0.802 246 N CB 1.672 40.145 38.487 -0.024 0.000 1.348 246 N HN 0.539 nan 8.380 nan 0.000 0.484 247 S N 1.431 117.167 115.700 0.060 0.000 2.565 247 S HA 0.329 4.799 4.470 0.000 0.000 0.274 247 S C -1.879 172.829 174.600 0.181 0.000 1.144 247 S CA -0.825 57.424 58.200 0.082 0.000 0.849 247 S CB 0.537 63.782 63.200 0.074 0.000 1.103 247 S HN 0.749 nan 8.310 nan 0.000 0.455 248 N N 1.608 120.405 118.700 0.162 0.000 2.517 248 N HA 0.453 5.193 4.740 0.000 0.000 0.285 248 N C 0.022 175.547 175.510 0.026 0.000 1.528 248 N CA 0.216 53.402 53.050 0.226 0.000 0.892 248 N CB 0.629 39.191 38.487 0.125 0.000 1.356 248 N HN 1.235 nan 8.380 nan 0.000 0.495 249 G N 0.646 109.352 108.800 -0.157 0.000 2.379 249 G HA2 0.033 3.993 3.960 0.000 0.000 0.609 249 G HA3 0.033 3.993 3.960 0.000 0.000 0.609 249 G C -0.362 174.173 174.900 -0.609 0.000 1.484 249 G CA -0.565 44.088 45.100 -0.744 0.000 0.921 249 G HN 0.139 nan 8.290 nan 0.000 0.658 250 N N -2.173 115.770 118.700 -1.261 0.000 2.878 250 N HA -0.192 4.549 4.740 0.000 0.000 0.247 250 N C 0.452 175.719 175.510 -0.406 0.000 1.021 250 N CA 1.117 53.549 53.050 -1.029 0.000 0.873 250 N CB -0.617 37.593 38.487 -0.462 0.000 1.128 250 N HN 1.068 nan 8.380 nan 0.000 0.571 251 L N 1.821 122.895 121.223 -0.248 0.000 2.369 251 L HA 0.319 4.660 4.340 0.000 0.000 0.279 251 L C 0.048 176.876 176.870 -0.070 0.000 1.108 251 L CA 0.048 54.830 54.840 -0.096 0.000 0.852 251 L CB 0.386 42.392 42.059 -0.089 0.000 1.169 251 L HN 0.024 nan 8.230 nan 0.000 0.452 252 I N 6.474 127.039 120.570 -0.008 0.000 2.268 252 I HA 0.355 4.525 4.170 0.000 0.000 0.290 252 I C 0.688 176.840 176.117 0.059 0.000 1.125 252 I CA 0.130 61.441 61.300 0.019 0.000 1.236 252 I CB 0.411 38.435 38.000 0.041 0.000 1.469 252 I HN 0.767 nan 8.210 nan 0.000 0.512 253 A N 8.866 131.617 122.820 -0.115 0.000 2.483 253 A HA 0.474 4.794 4.320 0.000 0.000 0.238 253 A C -2.193 175.435 177.584 0.073 0.000 1.070 253 A CA -0.733 51.200 52.037 -0.174 0.000 0.770 253 A CB -0.455 18.060 19.000 -0.807 0.000 1.008 253 A HN 0.403 nan 8.150 nan 0.000 0.497 254 P HA 0.288 nan 4.420 nan 0.000 0.276 254 P C -0.273 177.213 177.300 0.309 0.000 1.252 254 P CA -0.332 62.951 63.100 0.305 0.000 0.802 254 P CB 0.953 32.910 31.700 0.429 0.000 1.035 255 R N -0.018 120.766 120.500 0.475 0.000 2.365 255 R HA 0.396 4.736 4.340 0.000 0.000 0.223 255 R C 1.078 177.773 176.300 0.658 0.000 0.899 255 R CA 0.239 56.674 56.100 0.558 0.000 1.059 255 R CB 0.571 31.136 30.300 0.442 0.000 1.086 255 R HN 0.717 nan 8.270 nan 0.000 0.522 256 G N 0.151 109.287 108.800 0.560 0.000 2.441 256 G HA2 0.108 4.069 3.960 0.000 0.000 0.225 256 G HA3 0.108 4.069 3.960 0.000 0.000 0.225 256 G C -1.944 172.840 174.900 -0.194 0.000 1.200 256 G CA -0.615 44.543 45.100 0.096 0.000 0.947 256 G HN 0.131 nan 8.290 nan 0.000 0.484 257 Y N -1.188 118.584 120.300 -0.881 0.000 2.638 257 Y HA 0.866 5.416 4.550 0.000 0.000 0.339 257 Y C -1.534 173.902 175.900 -0.774 0.000 1.084 257 Y CA -2.466 55.164 58.100 -0.783 0.000 1.068 257 Y CB 1.319 39.268 38.460 -0.851 0.000 1.294 257 Y HN 0.423 nan 8.280 nan 0.000 0.480 258 F N 1.674 121.489 119.950 -0.224 0.000 2.444 258 F HA 0.440 4.968 4.527 0.000 0.000 0.342 258 F C 0.287 176.063 175.800 -0.040 0.000 1.121 258 F CA -0.909 56.994 58.000 -0.161 0.000 0.997 258 F CB 1.857 40.863 39.000 0.010 0.000 1.130 258 F HN 0.453 nan 8.300 nan 0.000 0.454 259 K N 4.613 125.007 120.400 -0.010 0.000 2.416 259 K HA 0.267 4.587 4.320 0.000 0.000 0.283 259 K C -0.468 176.099 176.600 -0.055 0.000 1.037 259 K CA -0.067 56.170 56.287 -0.083 0.000 0.995 259 K CB 0.485 32.764 32.500 -0.368 0.000 0.938 259 K HN 0.693 nan 8.250 nan 0.000 0.475 260 M N 4.040 123.628 119.600 -0.019 0.000 2.277 260 M HA 0.339 4.819 4.480 0.000 0.000 0.350 260 M C 0.017 176.282 176.300 -0.058 0.000 1.180 260 M CA -0.195 55.095 55.300 -0.016 0.000 1.103 260 M CB 1.641 34.274 32.600 0.054 0.000 1.577 260 M HN 0.577 nan 8.290 nan 0.000 0.459 261 R N -0.033 120.416 120.500 -0.085 0.000 2.947 261 R HA 0.751 5.091 4.340 0.000 0.000 0.253 261 R C -0.998 175.252 176.300 -0.083 0.000 1.208 261 R CA -0.936 55.109 56.100 -0.091 0.000 1.012 261 R CB 2.106 32.320 30.300 -0.144 0.000 1.267 261 R HN 0.730 nan 8.270 nan 0.000 0.473 262 T N -1.892 112.616 114.554 -0.077 0.000 2.933 262 T HA 0.823 5.174 4.350 0.000 0.000 0.305 262 T C -0.105 174.547 174.700 -0.081 0.000 1.092 262 T CA -0.413 61.650 62.100 -0.062 0.000 1.008 262 T CB 2.334 71.191 68.868 -0.020 0.000 1.102 262 T HN 0.827 nan 8.240 nan 0.000 0.469 263 G N 1.557 110.306 108.800 -0.084 0.000 2.393 263 G HA2 0.387 4.347 3.960 0.000 0.000 0.264 263 G HA3 0.387 4.347 3.960 0.000 0.000 0.264 263 G C -0.506 174.322 174.900 -0.119 0.000 1.221 263 G CA -0.301 44.733 45.100 -0.110 0.000 0.912 263 G HN 0.909 nan 8.290 nan 0.000 0.483 264 K N -0.054 120.192 120.400 -0.257 0.000 2.374 264 K HA 0.439 4.759 4.320 0.000 0.000 0.196 264 K C 0.534 177.026 176.600 -0.181 0.000 1.023 264 K CA 0.210 56.200 56.287 -0.496 0.000 1.103 264 K CB 0.483 32.173 32.500 -1.349 0.000 0.848 264 K HN 0.201 nan 8.250 nan 0.000 0.528 265 S N 0.874 116.508 115.700 -0.110 0.000 2.568 265 S HA 0.169 4.639 4.470 0.000 0.000 0.282 265 S C -0.148 174.542 174.600 0.151 0.000 1.338 265 S CA -0.497 57.682 58.200 -0.035 0.000 1.045 265 S CB 1.164 64.175 63.200 -0.315 0.000 0.873 265 S HN 0.408 nan 8.310 nan 0.000 0.516 266 S N 0.353 116.198 115.700 0.242 0.000 2.727 266 S HA 0.720 5.190 4.470 0.000 0.000 0.278 266 S C -1.802 172.948 174.600 0.250 0.000 1.186 266 S CA -0.795 57.607 58.200 0.338 0.000 0.836 266 S CB 0.809 64.327 63.200 0.530 0.000 1.186 266 S HN 0.680 nan 8.310 nan 0.000 0.499 267 I N 1.934 122.628 120.570 0.205 0.000 2.686 267 I HA 0.667 4.837 4.170 0.000 0.000 0.295 267 I C -1.371 174.770 176.117 0.041 0.000 1.114 267 I CA -0.780 60.566 61.300 0.077 0.000 1.038 267 I CB 1.800 39.794 38.000 -0.010 0.000 1.238 267 I HN 0.836 nan 8.210 nan 0.000 0.420 268 M N 7.004 126.604 119.600 -0.001 0.000 2.393 268 M HA 0.540 5.020 4.480 0.000 0.000 0.299 268 M C -1.492 174.793 176.300 -0.024 0.000 1.103 268 M CA -0.639 54.650 55.300 -0.018 0.000 0.910 268 M CB 2.069 34.651 32.600 -0.029 0.000 1.659 268 M HN 0.536 nan 8.290 nan 0.000 0.445 269 R N 2.747 123.227 120.500 -0.035 0.000 2.216 269 R HA 0.519 4.859 4.340 0.000 0.000 0.332 269 R C -0.891 175.389 176.300 -0.034 0.000 1.056 269 R CA -0.213 55.866 56.100 -0.035 0.000 0.901 269 R CB 1.399 31.670 30.300 -0.049 0.000 1.039 269 R HN 0.681 nan 8.270 nan 0.000 0.456 270 S N 0.944 116.626 115.700 -0.030 0.000 2.570 270 S HA 0.250 4.721 4.470 0.000 0.000 0.270 270 S C -1.089 173.499 174.600 -0.021 0.000 1.149 270 S CA -0.735 57.451 58.200 -0.024 0.000 0.837 270 S CB 1.570 64.756 63.200 -0.024 0.000 1.124 270 S HN 0.575 nan 8.310 nan 0.000 0.465 271 D N 1.169 121.561 120.400 -0.013 0.000 2.513 271 D HA 0.422 5.062 4.640 0.000 0.000 0.222 271 D C 0.156 176.452 176.300 -0.006 0.000 1.210 271 D CA 0.032 54.027 54.000 -0.008 0.000 0.825 271 D CB 1.032 41.831 40.800 -0.002 0.000 1.037 271 D HN 0.627 nan 8.370 nan 0.000 0.506 272 A N 1.503 124.319 122.820 -0.007 0.000 2.440 272 A HA 0.478 4.798 4.320 0.000 0.000 0.251 272 A C -2.291 175.290 177.584 -0.006 0.000 1.089 272 A CA -0.887 51.149 52.037 -0.002 0.000 0.779 272 A CB 0.157 19.159 19.000 0.003 0.000 1.022 272 A HN -0.085 nan 8.150 nan 0.000 0.492 273 P HA 0.236 nan 4.420 nan 0.000 0.276 273 P C -0.536 176.761 177.300 -0.005 0.000 1.230 273 P CA 0.095 63.193 63.100 -0.004 0.000 0.776 273 P CB 0.477 32.177 31.700 0.000 0.000 0.888 274 I N 2.745 123.308 120.570 -0.011 0.000 2.575 274 I HA 0.233 4.403 4.170 0.000 0.000 0.285 274 I C 0.628 176.743 176.117 -0.003 0.000 1.085 274 I CA 0.423 61.717 61.300 -0.009 0.000 1.403 274 I CB 0.621 38.608 38.000 -0.022 0.000 1.409 274 I HN 0.357 nan 8.210 nan 0.000 0.557 275 D N 2.866 123.267 120.400 0.003 0.000 2.645 275 D HA 0.161 4.801 4.640 0.000 0.000 0.228 275 D C -0.696 175.608 176.300 0.005 0.000 1.148 275 D CA -0.430 53.573 54.000 0.004 0.000 0.860 275 D CB 2.042 42.846 40.800 0.006 0.000 1.548 275 D HN 0.359 nan 8.370 nan 0.000 0.460 276 T N 1.674 116.230 114.554 0.003 0.000 2.743 276 T HA 0.544 4.895 4.350 0.000 0.000 0.290 276 T C -0.189 174.513 174.700 0.003 0.000 0.908 276 T CA 0.108 62.210 62.100 0.003 0.000 1.092 276 T CB -1.488 67.381 68.868 0.001 0.000 0.882 276 T HN 0.500 nan 8.240 nan 0.000 0.531 277 c N 3.896 122.498 118.600 0.004 0.000 3.211 277 c HA 0.654 5.225 4.570 0.000 0.000 0.350 277 c C -1.197 172.893 174.090 -0.001 0.000 1.413 277 c CA -1.448 54.883 56.329 0.003 0.000 1.203 277 c CB 0.349 42.863 42.510 0.007 0.000 1.506 277 c HN 0.713 nan 8.230 nan 0.000 0.448 278 I N 1.689 122.257 120.570 -0.003 0.000 2.474 278 I HA 0.701 4.872 4.170 0.000 0.000 0.294 278 I C -0.101 176.013 176.117 -0.004 0.000 1.005 278 I CA -0.007 61.285 61.300 -0.013 0.000 1.113 278 I CB 1.794 39.783 38.000 -0.018 0.000 1.289 278 I HN 0.879 nan 8.210 nan 0.000 0.436 279 S N 3.701 119.396 115.700 -0.008 0.000 2.581 279 S HA 0.157 4.627 4.470 0.000 0.000 0.306 279 S C 0.201 174.820 174.600 0.032 0.000 1.080 279 S CA -0.565 57.646 58.200 0.018 0.000 0.925 279 S CB 1.108 64.332 63.200 0.041 0.000 1.128 279 S HN 0.679 nan 8.310 nan 0.000 0.451 280 E N 1.159 121.385 120.200 0.043 0.000 2.208 280 E HA -0.007 4.344 4.350 0.000 0.000 0.193 280 E C 0.764 177.535 176.600 0.284 0.000 0.988 280 E CA 0.655 57.129 56.400 0.123 0.000 0.828 280 E CB 0.192 29.947 29.700 0.091 0.000 0.763 280 E HN 0.521 nan 8.360 nan 0.000 0.478 281 c N 1.384 120.084 118.600 0.167 0.000 2.319 281 c HA 0.554 5.124 4.570 0.000 0.000 0.335 281 c C -0.073 174.118 174.090 0.167 0.000 1.274 281 c CA -0.633 55.786 56.329 0.149 0.000 1.806 281 c CB -0.813 41.738 42.510 0.070 0.000 2.329 281 c HN 0.105 nan 8.230 nan 0.000 0.524 282 I N 5.760 126.450 120.570 0.200 0.000 2.465 282 I HA 0.493 4.663 4.170 0.000 0.000 0.291 282 I C 0.316 176.507 176.117 0.124 0.000 1.014 282 I CA 0.065 61.468 61.300 0.173 0.000 1.093 282 I CB 2.375 40.507 38.000 0.220 0.000 1.267 282 I HN 0.776 nan 8.210 nan 0.000 0.431 283 T N 1.605 116.207 114.554 0.080 0.000 2.901 283 T HA 0.475 4.825 4.350 0.000 0.000 0.293 283 T C -2.476 172.244 174.700 0.033 0.000 1.084 283 T CA -2.077 60.054 62.100 0.052 0.000 1.008 283 T CB 2.293 71.190 68.868 0.049 0.000 1.170 283 T HN 0.162 nan 8.240 nan 0.000 0.509 284 P HA -0.009 nan 4.420 nan 0.000 0.219 284 P C 0.896 178.201 177.300 0.008 0.000 1.146 284 P CA 0.922 64.022 63.100 0.000 0.000 0.808 284 P CB -0.162 31.528 31.700 -0.017 0.000 0.779 285 N N -1.047 117.663 118.700 0.016 0.000 2.453 285 N HA 0.118 4.858 4.740 0.000 0.000 0.183 285 N C 0.943 176.468 175.510 0.024 0.000 1.041 285 N CA 1.269 54.332 53.050 0.021 0.000 0.900 285 N CB -0.211 38.295 38.487 0.031 0.000 0.961 285 N HN 0.155 nan 8.380 nan 0.000 0.443 286 G N -1.734 107.083 108.800 0.029 0.000 2.355 286 G HA2 -0.054 3.907 3.960 0.000 0.000 0.619 286 G HA3 -0.054 3.907 3.960 0.000 0.000 0.619 286 G C -0.918 174.009 174.900 0.045 0.000 1.337 286 G CA -0.838 44.282 45.100 0.032 0.000 0.993 286 G HN 0.030 nan 8.290 nan 0.000 0.599 287 S N -0.766 114.963 115.700 0.049 0.000 2.576 287 S HA 0.592 5.063 4.470 0.000 0.000 0.272 287 S C 0.615 175.245 174.600 0.050 0.000 1.352 287 S CA 0.719 58.956 58.200 0.061 0.000 1.021 287 S CB 0.440 63.676 63.200 0.061 0.000 0.887 287 S HN 1.439 nan 8.310 nan 0.000 0.542 288 I N -0.901 119.701 120.570 0.054 0.000 2.686 288 I HA 0.573 4.743 4.170 0.000 0.000 0.295 288 I C -2.925 173.213 176.117 0.034 0.000 1.114 288 I CA -2.946 58.379 61.300 0.042 0.000 1.038 288 I CB 2.493 40.520 38.000 0.046 0.000 1.238 288 I HN 0.306 nan 8.210 nan 0.000 0.420 289 P HA 0.137 nan 4.420 nan 0.000 0.271 289 P C -0.711 176.590 177.300 0.002 0.000 1.226 289 P CA -0.060 63.047 63.100 0.012 0.000 0.765 289 P CB 0.409 32.114 31.700 0.008 0.000 0.835 290 N N 1.726 120.423 118.700 -0.005 0.000 2.378 290 N HA -0.015 4.725 4.740 0.000 0.000 0.243 290 N C 0.582 176.066 175.510 -0.044 0.000 1.137 290 N CA -0.573 52.462 53.050 -0.026 0.000 0.862 290 N CB -0.189 38.283 38.487 -0.025 0.000 1.116 290 N HN 0.306 nan 8.380 nan 0.000 0.499 291 D N 0.547 120.925 120.400 -0.037 0.000 2.194 291 D HA -0.110 4.530 4.640 0.000 0.000 0.204 291 D C 0.110 176.369 176.300 -0.069 0.000 0.964 291 D CA 0.657 54.631 54.000 -0.043 0.000 0.846 291 D CB 0.132 40.917 40.800 -0.026 0.000 0.962 291 D HN 0.286 nan 8.370 nan 0.000 0.490 292 K N 1.387 121.742 120.400 -0.075 0.000 2.118 292 K HA 0.180 4.500 4.320 0.000 0.000 0.264 292 K C -1.565 174.910 176.600 -0.210 0.000 1.000 292 K CA -1.664 54.555 56.287 -0.113 0.000 0.929 292 K CB 1.606 34.069 32.500 -0.063 0.000 1.021 292 K HN -0.098 nan 8.250 nan 0.000 0.463 293 P HA -0.111 nan 4.420 nan 0.000 0.219 293 P C -0.344 176.455 177.300 -0.834 0.000 1.150 293 P CA 1.338 64.010 63.100 -0.713 0.000 0.814 293 P CB 0.266 31.319 31.700 -1.079 0.000 0.787 294 F N -0.183 119.733 119.950 -0.058 0.000 2.611 294 F HA 0.557 5.084 4.527 0.000 0.000 0.324 294 F C 0.285 176.044 175.800 -0.070 0.000 1.061 294 F CA -1.065 56.889 58.000 -0.077 0.000 0.954 294 F CB 1.064 40.025 39.000 -0.065 0.000 1.301 294 F HN -0.231 nan 8.300 nan 0.000 0.482 295 Q N -0.279 119.593 119.800 0.120 0.000 2.379 295 Q HA 0.368 4.708 4.340 0.000 0.000 0.278 295 Q C -1.413 174.549 176.000 -0.064 0.000 1.068 295 Q CA -0.794 55.040 55.803 0.051 0.000 0.816 295 Q CB 2.102 30.886 28.738 0.078 0.000 1.387 295 Q HN 0.678 nan 8.270 nan 0.000 0.413 296 N N 1.578 120.247 118.700 -0.051 0.000 2.291 296 N HA 0.103 4.843 4.740 0.000 0.000 0.244 296 N C -0.249 175.349 175.510 0.146 0.000 1.216 296 N CA 0.151 53.114 53.050 -0.146 0.000 0.879 296 N CB 0.757 39.169 38.487 -0.126 0.000 1.167 296 N HN 0.483 nan 8.380 nan 0.000 0.515 297 V N 0.325 120.366 119.914 0.212 0.000 2.379 297 V HA 0.130 4.251 4.120 0.000 0.000 0.243 297 V C 0.856 177.088 176.094 0.229 0.000 1.035 297 V CA 0.917 63.328 62.300 0.185 0.000 1.035 297 V CB -0.284 31.608 31.823 0.116 0.000 0.673 297 V HN 0.402 nan 8.190 nan 0.000 0.457 298 N N -0.616 118.242 118.700 0.263 0.000 2.935 298 N HA 0.133 4.874 4.740 0.000 0.000 0.248 298 N C -0.027 175.291 175.510 -0.319 0.000 1.276 298 N CA -0.294 52.737 53.050 -0.033 0.000 0.906 298 N CB 1.838 40.308 38.487 -0.029 0.000 1.564 298 N HN 0.244 nan 8.380 nan 0.000 0.500 299 K N 0.772 120.718 120.400 -0.757 0.000 2.426 299 K HA 0.282 4.602 4.320 0.000 0.000 0.193 299 K C 0.335 176.778 176.600 -0.262 0.000 1.028 299 K CA 0.394 56.262 56.287 -0.698 0.000 1.047 299 K CB 0.393 32.422 32.500 -0.785 0.000 0.821 299 K HN 0.382 nan 8.250 nan 0.000 0.513 300 I N 3.359 123.816 120.570 -0.188 0.000 2.304 300 I HA 0.097 4.268 4.170 0.000 0.000 0.291 300 I C -0.062 176.031 176.117 -0.039 0.000 1.018 300 I CA -0.415 60.824 61.300 -0.101 0.000 1.260 300 I CB 1.364 39.307 38.000 -0.094 0.000 1.390 300 I HN 0.218 nan 8.210 nan 0.000 0.475 301 T N 2.648 117.196 114.554 -0.010 0.000 2.812 301 T HA 0.586 4.936 4.350 0.000 0.000 0.294 301 T C -1.266 173.497 174.700 0.105 0.000 1.159 301 T CA -0.868 61.255 62.100 0.037 0.000 1.008 301 T CB 2.288 71.157 68.868 0.001 0.000 1.289 301 T HN 0.388 nan 8.240 nan 0.000 0.514 302 Y N -0.300 119.990 120.300 -0.016 0.000 2.358 302 Y HA 0.559 5.109 4.550 0.000 0.000 0.324 302 Y C 0.016 175.908 175.900 -0.013 0.000 1.123 302 Y CA 0.817 58.916 58.100 -0.001 0.000 1.067 302 Y CB 1.138 39.620 38.460 0.037 0.000 1.230 302 Y HN 1.604 nan 8.280 nan 0.000 0.429 303 G N 2.497 110.942 108.800 -0.592 0.000 2.483 303 G HA2 0.342 4.302 3.960 0.000 0.000 0.521 303 G HA3 0.342 4.302 3.960 0.000 0.000 0.521 303 G C -1.049 173.704 174.900 -0.246 0.000 1.278 303 G CA -0.514 44.403 45.100 -0.304 0.000 0.965 303 G HN 1.456 nan 8.290 nan 0.000 0.504 304 A N -0.725 122.054 122.820 -0.069 0.000 2.438 304 A HA 0.549 4.869 4.320 0.000 0.000 0.280 304 A C 0.604 178.145 177.584 -0.072 0.000 1.160 304 A CA 1.006 52.987 52.037 -0.094 0.000 0.821 304 A CB -0.826 18.159 19.000 -0.024 0.000 1.101 304 A HN 1.778 nan 8.150 nan 0.000 0.515 305 c N 3.103 121.633 118.600 -0.116 0.000 2.889 305 c HA 0.665 5.235 4.570 0.000 0.000 0.307 305 c C -2.556 171.469 174.090 -0.109 0.000 1.251 305 c CA -0.961 55.318 56.329 -0.083 0.000 1.593 305 c CB 1.964 44.434 42.510 -0.066 0.000 2.104 305 c HN 0.704 nan 8.230 nan 0.000 0.476 306 P HA 0.266 nan 4.420 nan 0.000 0.275 306 P C -0.938 176.316 177.300 -0.077 0.000 1.228 306 P CA -0.180 62.857 63.100 -0.105 0.000 0.786 306 P CB 0.412 32.078 31.700 -0.057 0.000 0.927 307 K N 1.795 122.130 120.400 -0.108 0.000 2.382 307 K HA 0.083 4.404 4.320 0.000 0.000 0.275 307 K C -0.165 176.471 176.600 0.059 0.000 1.009 307 K CA 0.071 56.277 56.287 -0.135 0.000 0.970 307 K CB -0.006 32.254 32.500 -0.400 0.000 0.934 307 K HN 0.417 nan 8.250 nan 0.000 0.479 308 Y N 3.239 123.506 120.300 -0.055 0.000 2.359 308 Y HA 0.293 4.843 4.550 0.000 0.000 0.330 308 Y C -0.201 175.726 175.900 0.045 0.000 1.143 308 Y CA -0.339 57.768 58.100 0.012 0.000 1.318 308 Y CB 0.531 38.990 38.460 -0.001 0.000 1.234 308 Y HN 0.312 nan 8.280 nan 0.000 0.522 309 V N 2.899 122.425 119.914 -0.646 0.000 3.130 309 V HA 0.485 4.605 4.120 0.000 0.000 0.310 309 V C 0.030 175.759 176.094 -0.608 0.000 1.158 309 V CA -1.276 60.773 62.300 -0.419 0.000 1.029 309 V CB 2.287 33.925 31.823 -0.309 0.000 1.057 309 V HN 0.778 nan 8.190 nan 0.000 0.436 310 K N -0.256 119.985 120.400 -0.264 0.000 2.366 310 K HA 0.120 4.440 4.320 0.000 0.000 0.198 310 K C 0.157 176.674 176.600 -0.138 0.000 1.044 310 K CA 0.444 56.638 56.287 -0.155 0.000 0.973 310 K CB 0.030 32.513 32.500 -0.028 0.000 0.767 310 K HN 0.740 nan 8.250 nan 0.000 0.475 311 Q N 1.403 121.108 119.800 -0.159 0.000 2.288 311 Q HA 0.029 4.369 4.340 0.000 0.000 0.254 311 Q C 0.479 176.421 176.000 -0.098 0.000 0.932 311 Q CA -0.226 55.512 55.803 -0.108 0.000 0.902 311 Q CB 0.648 29.320 28.738 -0.110 0.000 1.203 311 Q HN 0.166 nan 8.270 nan 0.000 0.415 312 N N -0.100 118.568 118.700 -0.054 0.000 2.336 312 N HA 0.044 4.784 4.740 0.000 0.000 0.189 312 N C -0.519 174.983 175.510 -0.014 0.000 1.113 312 N CA 0.022 53.053 53.050 -0.031 0.000 0.858 312 N CB 0.950 39.429 38.487 -0.013 0.000 0.970 312 N HN 0.424 nan 8.380 nan 0.000 0.471 313 T N -0.387 114.157 114.554 -0.015 0.000 2.977 313 T HA 0.551 4.902 4.350 0.000 0.000 0.345 313 T C -2.420 172.282 174.700 0.003 0.000 1.562 313 T CA -0.715 61.387 62.100 0.003 0.000 1.090 313 T CB 0.531 69.400 68.868 0.002 0.000 1.383 313 T HN 0.043 nan 8.240 nan 0.000 0.484 314 L N 3.966 125.205 121.223 0.028 0.000 2.752 314 L HA 0.403 4.743 4.340 0.000 0.000 0.257 314 L C -0.589 176.312 176.870 0.052 0.000 0.968 314 L CA -0.784 54.079 54.840 0.037 0.000 0.953 314 L CB 1.830 43.930 42.059 0.069 0.000 1.286 314 L HN 0.501 nan 8.230 nan 0.000 0.443 315 K N 3.084 123.502 120.400 0.031 0.000 2.201 315 K HA 0.550 4.870 4.320 0.000 0.000 0.278 315 K C -0.856 175.764 176.600 0.033 0.000 1.027 315 K CA -0.775 55.529 56.287 0.028 0.000 0.909 315 K CB 2.517 35.025 32.500 0.013 0.000 1.062 315 K HN 0.214 nan 8.250 nan 0.000 0.465 316 L N 2.657 123.903 121.223 0.039 0.000 2.280 316 L HA 0.324 4.664 4.340 0.000 0.000 0.287 316 L C -0.457 176.433 176.870 0.033 0.000 1.023 316 L CA -0.135 54.730 54.840 0.042 0.000 0.819 316 L CB 1.168 43.259 42.059 0.052 0.000 1.212 316 L HN 0.794 nan 8.230 nan 0.000 0.420 317 A N 3.000 125.836 122.820 0.026 0.000 2.546 317 A HA 0.393 4.713 4.320 0.000 0.000 0.243 317 A C 0.791 178.397 177.584 0.036 0.000 1.063 317 A CA 0.645 52.690 52.037 0.014 0.000 0.757 317 A CB -0.276 18.723 19.000 -0.001 0.000 0.991 317 A HN 0.869 nan 8.150 nan 0.000 0.503 318 T N -0.152 114.426 114.554 0.040 0.000 3.442 318 T HA 0.580 4.930 4.350 0.000 0.000 0.295 318 T C 0.211 174.977 174.700 0.109 0.000 1.007 318 T CA 0.225 62.382 62.100 0.095 0.000 0.962 318 T CB -0.208 68.719 68.868 0.099 0.000 1.187 318 T HN 1.780 nan 8.240 nan 0.000 0.490 319 G N 1.611 110.407 108.800 -0.007 0.000 2.547 319 G HA2 0.525 4.486 3.960 0.000 0.000 0.291 319 G HA3 0.525 4.486 3.960 0.000 0.000 0.291 319 G C -0.480 174.282 174.900 -0.231 0.000 1.471 319 G CA -1.079 43.889 45.100 -0.220 0.000 0.798 319 G HN 0.531 nan 8.290 nan 0.000 0.504 320 M N -0.074 119.304 119.600 -0.371 0.000 1.878 320 M HA 0.539 5.019 4.480 0.000 0.000 0.236 320 M C 0.786 176.938 176.300 -0.246 0.000 1.315 320 M CA -0.336 54.801 55.300 -0.272 0.000 0.986 320 M CB 0.505 32.897 32.600 -0.347 0.000 1.324 320 M HN 0.541 nan 8.290 nan 0.000 0.474 321 R N 0.897 121.261 120.500 -0.227 0.000 2.641 321 R HA 0.144 4.485 4.340 0.000 0.000 0.269 321 R C -0.867 175.322 176.300 -0.184 0.000 1.074 321 R CA -0.327 55.667 56.100 -0.177 0.000 1.133 321 R CB 0.494 30.707 30.300 -0.144 0.000 1.029 321 R HN 0.757 nan 8.270 nan 0.000 0.488 322 N N 1.383 120.004 118.700 -0.131 0.000 2.473 322 N HA 0.043 4.783 4.740 0.000 0.000 0.291 322 N C -0.919 174.565 175.510 -0.043 0.000 1.083 322 N CA -0.156 52.827 53.050 -0.111 0.000 0.951 322 N CB 1.486 39.904 38.487 -0.114 0.000 1.164 322 N HN 0.469 nan 8.380 nan 0.000 0.480 323 V N 4.354 124.267 119.914 -0.002 0.000 5.894 323 V HA -0.165 3.955 4.120 0.000 0.000 0.155 323 V C -2.315 173.797 176.094 0.030 0.000 0.731 323 V CA -0.785 61.530 62.300 0.026 0.000 0.542 323 V CB -1.319 30.499 31.823 -0.007 0.000 0.473 323 V HN 0.763 nan 8.190 nan 0.000 0.381 324 P HA -0.103 nan 4.420 nan 0.000 0.257 324 P C 0.818 178.121 177.300 0.004 0.000 1.092 324 P CA 1.792 64.920 63.100 0.047 0.000 0.756 324 P CB 0.111 31.868 31.700 0.096 0.000 0.669 325 E N 1.331 121.523 120.200 -0.013 0.000 4.795 325 E HA -0.269 4.081 4.350 0.000 0.000 0.162 325 E C 0.260 176.848 176.600 -0.020 0.000 1.142 325 E CA 2.118 58.506 56.400 -0.019 0.000 2.419 325 E CB -1.199 28.491 29.700 -0.018 0.000 1.740 325 E HN 0.730 nan 8.360 nan 0.000 0.493 326 K N -1.131 119.259 120.400 -0.017 0.000 10.642 326 K HA -0.131 4.189 4.320 0.000 0.000 1.164 326 K C 0.325 176.915 176.600 -0.016 0.000 2.521 326 K CA 0.851 57.127 56.287 -0.019 0.000 0.818 326 K CB -0.791 31.694 32.500 -0.025 0.000 1.353 326 K HN 0.321 nan 8.250 nan 0.000 0.437 327 Q N -2.369 117.421 119.800 -0.018 0.000 7.842 327 Q HA -0.164 4.176 4.340 0.000 0.000 0.365 327 Q C 0.354 176.345 176.000 -0.014 0.000 1.056 327 Q CA 1.239 57.033 55.803 -0.016 0.000 0.533 327 Q CB -1.111 27.619 28.738 -0.014 0.000 0.161 327 Q HN 0.782 nan 8.270 nan 0.000 0.888 328 T N -0.153 114.395 114.554 -0.010 0.000 3.409 328 T HA 0.243 4.593 4.350 0.000 0.000 0.188 328 T C -0.030 174.668 174.700 -0.004 0.000 0.929 328 T CA 0.693 62.788 62.100 -0.008 0.000 1.184 328 T CB 0.582 69.445 68.868 -0.008 0.000 1.570 328 T HN 0.523 nan 8.240 nan 0.000 0.367 329 Q N 0.741 120.540 119.800 -0.001 0.000 2.869 329 Q HA 0.515 4.855 4.340 0.000 0.000 0.322 329 Q C -1.011 174.996 176.000 0.011 0.000 0.832 329 Q CA -0.147 55.660 55.803 0.006 0.000 0.791 329 Q CB 1.069 29.810 28.738 0.005 0.000 1.412 329 Q HN 1.022 nan 8.270 nan 0.000 0.483 330 G N -0.742 108.070 108.800 0.021 0.000 2.392 330 G HA2 0.414 4.374 3.960 0.000 0.000 0.677 330 G HA3 0.414 4.374 3.960 0.000 0.000 0.677 330 G C -0.563 174.370 174.900 0.055 0.000 1.334 330 G CA 0.018 45.135 45.100 0.027 0.000 0.961 330 G HN 1.505 nan 8.290 nan 0.000 0.616 331 L N -1.788 119.476 121.223 0.067 0.000 6.462 331 L HA 0.334 4.675 4.340 0.000 0.000 0.053 331 L C 0.349 177.411 176.870 0.320 0.000 2.949 331 L CA 2.938 57.864 54.840 0.143 0.000 1.167 331 L CB -1.418 40.727 42.059 0.143 0.000 3.175 331 L HN 2.968 nan 8.230 nan 0.000 1.184 332 F N -2.807 117.127 119.950 -0.026 0.000 2.310 332 F HA 0.419 4.946 4.527 0.000 0.000 0.317 332 F C -0.016 175.751 175.800 -0.054 0.000 0.871 332 F CA -1.051 56.926 58.000 -0.039 0.000 0.901 332 F CB -0.726 38.253 39.000 -0.035 0.000 4.010 332 F HN 0.907 nan 8.300 nan 0.000 0.172 333 G N 1.164 109.486 108.800 -0.798 0.000 2.821 333 G HA2 0.634 4.594 3.960 0.000 0.000 0.289 333 G HA3 0.634 4.594 3.960 0.000 0.000 0.289 333 G C 0.135 174.381 174.900 -1.090 0.000 0.771 333 G CA 0.200 44.809 45.100 -0.819 0.000 1.908 333 G HN 1.602 nan 8.290 nan 0.000 0.539 334 A N 2.527 124.882 122.820 -0.775 0.000 2.427 334 A HA 0.571 4.891 4.320 0.000 0.000 0.225 334 A C 0.806 178.238 177.584 -0.253 0.000 1.257 334 A CA -0.152 51.607 52.037 -0.462 0.000 0.985 334 A CB 0.229 19.072 19.000 -0.261 0.000 1.136 334 A HN 0.970 nan 8.150 nan 0.000 0.538 335 I N -1.030 119.387 120.570 -0.255 0.000 7.253 335 I HA -0.156 4.014 4.170 0.000 0.000 0.126 335 I C -0.167 175.916 176.117 -0.056 0.000 1.837 335 I CA 0.331 61.530 61.300 -0.169 0.000 2.037 335 I CB -1.503 36.407 38.000 -0.151 0.000 3.621 335 I HN 0.484 nan 8.210 nan 0.000 0.169 336 A N 5.325 128.152 122.820 0.011 0.000 2.380 336 A HA 0.949 5.269 4.320 0.000 0.000 0.315 336 A C 0.381 178.126 177.584 0.268 0.000 1.101 336 A CA 0.218 52.307 52.037 0.088 0.000 0.771 336 A CB 1.642 20.680 19.000 0.064 0.000 1.287 336 A HN 0.949 nan 8.150 nan 0.000 0.436 337 G N -0.626 108.266 108.800 0.154 0.000 2.509 337 G HA2 0.431 4.391 3.960 0.000 0.000 0.269 337 G HA3 0.431 4.391 3.960 0.000 0.000 0.269 337 G C 0.458 175.338 174.900 -0.033 0.000 1.416 337 G CA 0.056 45.267 45.100 0.184 0.000 1.052 337 G HN 1.213 nan 8.290 nan 0.000 0.542 338 F N -0.347 119.487 119.950 -0.193 0.000 2.722 338 F HA 0.169 4.696 4.527 0.000 0.000 0.298 338 F C 1.553 177.275 175.800 -0.129 0.000 1.175 338 F CA -0.606 57.230 58.000 -0.274 0.000 1.462 338 F CB -0.584 38.324 39.000 -0.153 0.000 1.111 338 F HN -0.022 nan 8.300 nan 0.000 0.592 339 I N 1.302 121.503 120.570 -0.614 0.000 2.323 339 I HA -0.224 3.947 4.170 0.000 0.000 0.159 339 I C 1.461 177.482 176.117 -0.159 0.000 1.021 339 I CA 1.140 62.169 61.300 -0.451 0.000 1.338 339 I CB -1.040 36.705 38.000 -0.425 0.000 1.134 339 I HN 0.093 nan 8.210 nan 0.000 0.423 340 E N 1.867 121.998 120.200 -0.116 0.000 2.303 340 E HA 0.111 4.461 4.350 0.000 0.000 0.211 340 E C -0.902 175.684 176.600 -0.023 0.000 1.223 340 E CA -0.093 56.278 56.400 -0.049 0.000 1.344 340 E CB -0.547 29.126 29.700 -0.045 0.000 1.299 340 E HN 0.483 nan 8.360 nan 0.000 0.441 341 N N -1.546 117.132 118.700 -0.036 0.000 2.555 341 N HA 0.376 5.116 4.740 0.000 0.000 0.265 341 N C -0.444 174.918 175.510 -0.248 0.000 1.135 341 N CA -0.897 52.125 53.050 -0.046 0.000 0.925 341 N CB 1.126 39.628 38.487 0.026 0.000 1.662 341 N HN 0.025 nan 8.380 nan 0.000 0.489 342 G N -0.233 108.420 108.800 -0.246 0.000 2.489 342 G HA2 0.570 4.530 3.960 0.000 0.000 0.327 342 G HA3 0.570 4.530 3.960 0.000 0.000 0.327 342 G C -1.323 173.484 174.900 -0.154 0.000 1.189 342 G CA -0.583 44.163 45.100 -0.590 0.000 0.962 342 G HN 0.441 nan 8.290 nan 0.000 0.486 343 W N 1.144 122.325 121.300 -0.198 0.000 2.288 343 W HA 0.410 5.070 4.660 0.000 0.000 0.325 343 W C 0.846 177.334 176.519 -0.051 0.000 1.019 343 W CA -1.201 56.088 57.345 -0.094 0.000 1.403 343 W CB 0.457 29.879 29.460 -0.063 0.000 1.226 343 W HN 0.725 nan 8.180 nan 0.000 0.391 344 E N 1.153 121.443 120.200 0.149 0.000 2.401 344 E HA -0.106 4.244 4.350 0.000 0.000 0.199 344 E C 1.959 178.609 176.600 0.083 0.000 1.023 344 E CA 0.893 57.333 56.400 0.067 0.000 0.859 344 E CB 0.243 29.962 29.700 0.031 0.000 0.780 344 E HN 0.632 nan 8.360 nan 0.000 0.523 345 G N 0.914 109.780 108.800 0.110 0.000 2.551 345 G HA2 -0.121 3.839 3.960 0.000 0.000 0.216 345 G HA3 -0.121 3.839 3.960 0.000 0.000 0.216 345 G C 0.895 175.865 174.900 0.118 0.000 1.137 345 G CA -0.297 44.847 45.100 0.073 0.000 0.798 345 G HN 0.129 nan 8.290 nan 0.000 0.536 346 M N 2.462 122.188 119.600 0.209 0.000 2.557 346 M HA 0.376 4.856 4.480 0.000 0.000 0.328 346 M C 0.973 177.408 176.300 0.224 0.000 1.423 346 M CA -0.196 55.245 55.300 0.235 0.000 1.418 346 M CB 0.070 32.876 32.600 0.344 0.000 1.381 346 M HN 0.247 nan 8.290 nan 0.000 0.467 347 I N 0.295 120.968 120.570 0.172 0.000 3.968 347 I HA 0.162 4.332 4.170 0.000 0.000 0.328 347 I C 1.121 177.338 176.117 0.168 0.000 1.290 347 I CA 0.095 61.500 61.300 0.176 0.000 1.163 347 I CB -0.200 37.872 38.000 0.120 0.000 1.024 347 I HN 0.582 nan 8.210 nan 0.000 0.413 348 D N 1.737 122.225 120.400 0.148 0.000 2.328 348 D HA 0.217 4.857 4.640 0.000 0.000 0.226 348 D C 0.670 177.046 176.300 0.127 0.000 1.066 348 D CA 0.407 54.481 54.000 0.123 0.000 0.861 348 D CB 0.631 41.493 40.800 0.104 0.000 0.912 348 D HN 0.462 nan 8.370 nan 0.000 0.521 349 G N -0.701 108.194 108.800 0.159 0.000 2.349 349 G HA2 0.222 4.182 3.960 0.000 0.000 0.294 349 G HA3 0.222 4.182 3.960 0.000 0.000 0.294 349 G C -1.065 173.907 174.900 0.119 0.000 1.380 349 G CA -0.690 44.492 45.100 0.137 0.000 0.811 349 G HN 0.025 nan 8.290 nan 0.000 0.519 350 W N -0.608 120.467 121.300 -0.376 0.000 2.640 350 W HA 0.420 5.080 4.660 0.000 0.000 0.271 350 W C 0.290 176.332 176.519 -0.795 0.000 1.218 350 W CA 0.085 56.873 57.345 -0.928 0.000 1.382 350 W CB -0.173 28.798 29.460 -0.815 0.000 1.067 350 W HN 0.401 nan 8.180 nan 0.000 0.590 351 Y N -0.735 119.604 120.300 0.064 0.000 2.630 351 Y HA 0.759 5.309 4.550 0.000 0.000 0.337 351 Y C 0.857 176.739 175.900 -0.030 0.000 1.051 351 Y CA -0.644 57.432 58.100 -0.040 0.000 1.121 351 Y CB 1.521 39.933 38.460 -0.080 0.000 1.299 351 Y HN -0.133 nan 8.280 nan 0.000 0.498 352 G N -0.096 108.713 108.800 0.016 0.000 2.335 352 G HA2 0.470 4.430 3.960 0.000 0.000 0.291 352 G HA3 0.470 4.430 3.960 0.000 0.000 0.291 352 G C -2.292 172.560 174.900 -0.080 0.000 1.261 352 G CA -0.946 44.183 45.100 0.047 0.000 0.871 352 G HN 0.283 nan 8.290 nan 0.000 0.491 353 F N -0.435 119.767 119.950 0.420 0.000 2.593 353 F HA 0.888 5.415 4.527 0.000 0.000 0.320 353 F C 0.478 176.459 175.800 0.302 0.000 1.060 353 F CA -0.839 57.410 58.000 0.416 0.000 0.940 353 F CB 2.580 41.734 39.000 0.257 0.000 1.268 353 F HN 0.312 nan 8.300 nan 0.000 0.475 354 R N 1.048 121.780 120.500 0.386 0.000 2.510 354 R HA 0.310 4.650 4.340 0.000 0.000 0.287 354 R C -1.452 174.900 176.300 0.086 0.000 1.084 354 R CA -0.805 55.288 56.100 -0.012 0.000 0.934 354 R CB 1.937 31.925 30.300 -0.520 0.000 1.201 354 R HN 0.875 nan 8.270 nan 0.000 0.431 355 H N 1.084 120.150 119.070 -0.006 0.000 2.731 355 H HA 0.452 5.008 4.556 0.000 0.000 0.368 355 H C -1.273 174.019 175.328 -0.061 0.000 1.168 355 H CA -0.878 55.162 56.048 -0.014 0.000 1.181 355 H CB 2.557 32.310 29.762 -0.016 0.000 1.743 355 H HN 0.295 nan 8.280 nan 0.000 0.547 356 Q N 1.993 121.790 119.800 -0.004 0.000 2.275 356 Q HA 0.222 4.562 4.340 0.000 0.000 0.266 356 Q C -1.147 174.872 176.000 0.031 0.000 1.002 356 Q CA -0.522 55.243 55.803 -0.063 0.000 0.761 356 Q CB 2.036 30.716 28.738 -0.097 0.000 1.255 356 Q HN 0.997 nan 8.270 nan 0.000 0.446 357 N N -0.212 118.528 118.700 0.066 0.000 3.574 357 N HA 0.194 4.934 4.740 0.000 0.000 0.340 357 N C 0.673 176.194 175.510 0.018 0.000 1.650 357 N CA 0.225 53.299 53.050 0.041 0.000 0.762 357 N CB -0.302 38.224 38.487 0.064 0.000 2.206 357 N HN 0.315 nan 8.380 nan 0.000 0.621 358 S N -0.333 115.374 115.700 0.012 0.000 2.356 358 S HA -0.122 4.348 4.470 0.000 0.000 0.223 358 S C 1.018 175.628 174.600 0.017 0.000 1.032 358 S CA 1.203 59.409 58.200 0.010 0.000 1.005 358 S CB -0.775 62.432 63.200 0.013 0.000 0.867 358 S HN 0.643 nan 8.310 nan 0.000 0.449 359 E N 1.735 121.954 120.200 0.031 0.000 2.482 359 E HA 0.329 4.679 4.350 0.000 0.000 0.196 359 E C 1.241 177.859 176.600 0.030 0.000 1.047 359 E CA 0.316 56.736 56.400 0.034 0.000 0.869 359 E CB -0.184 29.543 29.700 0.045 0.000 0.836 359 E HN 0.704 nan 8.360 nan 0.000 0.520 360 G N 0.883 109.696 108.800 0.022 0.000 2.295 360 G HA2 -0.161 3.800 3.960 0.000 0.000 0.195 360 G HA3 -0.161 3.800 3.960 0.000 0.000 0.195 360 G C -0.668 174.188 174.900 -0.074 0.000 1.269 360 G CA -0.277 44.810 45.100 -0.022 0.000 1.170 360 G HN 0.144 nan 8.290 nan 0.000 0.511 361 T N -1.018 113.441 114.554 -0.158 0.000 2.912 361 T HA 0.885 5.235 4.350 0.000 0.000 0.299 361 T C 0.141 174.613 174.700 -0.379 0.000 1.052 361 T CA 1.021 62.918 62.100 -0.340 0.000 0.996 361 T CB 1.346 70.046 68.868 -0.279 0.000 1.070 361 T HN 2.420 nan 8.240 nan 0.000 0.465 362 G N 1.637 110.053 108.800 -0.639 0.000 2.663 362 G HA2 0.620 4.580 3.960 0.000 0.000 0.299 362 G HA3 0.620 4.580 3.960 0.000 0.000 0.299 362 G C -1.971 172.762 174.900 -0.278 0.000 1.372 362 G CA -0.641 44.247 45.100 -0.353 0.000 0.781 362 G HN 0.857 nan 8.290 nan 0.000 0.491 363 Q N -1.068 118.689 119.800 -0.073 0.000 2.379 363 Q HA 0.658 4.998 4.340 0.000 0.000 0.278 363 Q C -1.701 174.382 176.000 0.138 0.000 1.068 363 Q CA -0.998 54.817 55.803 0.020 0.000 0.816 363 Q CB 2.355 31.058 28.738 -0.058 0.000 1.387 363 Q HN 1.328 nan 8.270 nan 0.000 0.413 364 A N 1.825 124.795 122.820 0.250 0.000 2.466 364 A HA 0.763 5.083 4.320 0.000 0.000 0.284 364 A C -1.104 176.705 177.584 0.374 0.000 1.049 364 A CA -0.089 52.103 52.037 0.259 0.000 0.760 364 A CB 1.241 20.366 19.000 0.209 0.000 1.274 364 A HN 0.783 nan 8.150 nan 0.000 0.412 365 A N 1.647 124.638 122.820 0.284 0.000 2.371 365 A HA 0.545 4.865 4.320 0.000 0.000 0.257 365 A C -0.132 177.623 177.584 0.285 0.000 1.089 365 A CA -0.036 52.167 52.037 0.277 0.000 0.794 365 A CB 0.217 19.338 19.000 0.201 0.000 1.029 365 A HN 0.764 nan 8.150 nan 0.000 0.488 366 D N 1.730 122.289 120.400 0.264 0.000 2.467 366 D HA 0.269 4.909 4.640 0.000 0.000 0.220 366 D C 1.030 177.417 176.300 0.145 0.000 1.103 366 D CA -0.404 53.748 54.000 0.253 0.000 0.886 366 D CB 0.534 41.483 40.800 0.249 0.000 1.025 366 D HN 0.390 nan 8.370 nan 0.000 0.514 367 L N 3.701 124.988 121.223 0.106 0.000 2.261 367 L HA -0.083 4.257 4.340 0.000 0.000 0.216 367 L C 1.598 178.472 176.870 0.005 0.000 1.114 367 L CA 1.564 56.428 54.840 0.040 0.000 0.777 367 L CB -0.151 41.924 42.059 0.027 0.000 0.910 367 L HN 0.130 nan 8.230 nan 0.000 0.440 368 K N 0.703 121.116 120.400 0.021 0.000 1.978 368 K HA -0.131 4.190 4.320 0.000 0.000 0.214 368 K C 2.326 178.892 176.600 -0.057 0.000 1.049 368 K CA 2.204 58.483 56.287 -0.013 0.000 0.939 368 K CB -0.704 31.798 32.500 0.004 0.000 0.721 368 K HN 0.653 nan 8.250 nan 0.000 0.441 369 S N -0.374 115.279 115.700 -0.079 0.000 2.368 369 S HA -0.142 4.329 4.470 0.000 0.000 0.224 369 S C 2.140 176.688 174.600 -0.086 0.000 1.029 369 S CA 1.687 59.762 58.200 -0.209 0.000 0.988 369 S CB -0.926 62.011 63.200 -0.438 0.000 0.838 369 S HN 0.227 nan 8.310 nan 0.000 0.462 370 T N 1.960 116.566 114.554 0.087 0.000 2.665 370 T HA -0.190 4.160 4.350 0.000 0.000 0.268 370 T C 1.996 176.534 174.700 -0.271 0.000 1.035 370 T CA 1.998 64.113 62.100 0.026 0.000 1.151 370 T CB -0.487 68.356 68.868 -0.042 0.000 0.862 370 T HN 0.431 nan 8.240 nan 0.000 0.438 371 Q N 0.669 120.356 119.800 -0.188 0.000 2.079 371 Q HA 0.109 4.449 4.340 0.000 0.000 0.200 371 Q C 2.333 178.224 176.000 -0.182 0.000 0.974 371 Q CA 1.637 57.318 55.803 -0.204 0.000 0.840 371 Q CB -0.678 27.986 28.738 -0.123 0.000 0.898 371 Q HN 0.514 nan 8.270 nan 0.000 0.430 372 A N 0.321 123.061 122.820 -0.133 0.000 1.865 372 A HA -0.134 4.187 4.320 0.000 0.000 0.217 372 A C 2.285 179.815 177.584 -0.089 0.000 1.191 372 A CA 2.116 54.092 52.037 -0.103 0.000 0.623 372 A CB -1.341 17.598 19.000 -0.102 0.000 0.826 372 A HN 0.493 nan 8.150 nan 0.000 0.444 373 A N -0.093 122.690 122.820 -0.062 0.000 1.865 373 A HA -0.144 4.177 4.320 0.000 0.000 0.217 373 A C 2.167 179.708 177.584 -0.072 0.000 1.191 373 A CA 1.668 53.749 52.037 0.073 0.000 0.623 373 A CB -0.713 18.576 19.000 0.481 0.000 0.826 373 A HN 0.505 nan 8.150 nan 0.000 0.444 374 I N -0.383 119.918 120.570 -0.448 0.000 2.208 374 I HA -0.276 3.894 4.170 0.000 0.000 0.245 374 I C 2.049 178.060 176.117 -0.177 0.000 1.097 374 I CA 1.760 62.773 61.300 -0.477 0.000 1.363 374 I CB -0.525 37.078 38.000 -0.661 0.000 1.051 374 I HN 0.299 nan 8.210 nan 0.000 0.413 375 D N 0.537 120.850 120.400 -0.144 0.000 2.078 375 D HA -0.193 4.447 4.640 0.000 0.000 0.193 375 D C 2.277 178.560 176.300 -0.028 0.000 0.990 375 D CA 1.247 55.202 54.000 -0.075 0.000 0.827 375 D CB -0.290 40.470 40.800 -0.068 0.000 0.975 375 D HN 0.335 nan 8.370 nan 0.000 0.451 376 Q N -0.088 119.703 119.800 -0.015 0.000 2.112 376 Q HA -0.149 4.191 4.340 0.000 0.000 0.206 376 Q C 2.434 178.460 176.000 0.043 0.000 0.987 376 Q CA 0.895 56.710 55.803 0.020 0.000 0.858 376 Q CB -0.127 28.618 28.738 0.012 0.000 0.905 376 Q HN 0.383 nan 8.270 nan 0.000 0.420 377 I N 0.680 121.280 120.570 0.050 0.000 2.226 377 I HA -0.280 3.890 4.170 0.000 0.000 0.245 377 I C 1.548 177.703 176.117 0.063 0.000 1.100 377 I CA 1.232 62.582 61.300 0.083 0.000 1.374 377 I CB -0.226 37.869 38.000 0.158 0.000 1.057 377 I HN 0.249 nan 8.210 nan 0.000 0.413 378 N N 0.370 119.091 118.700 0.035 0.000 2.331 378 N HA -0.092 4.648 4.740 0.000 0.000 0.180 378 N C 1.914 177.437 175.510 0.023 0.000 1.019 378 N CA 0.937 54.001 53.050 0.024 0.000 0.881 378 N CB -0.149 38.339 38.487 0.001 0.000 0.972 378 N HN 0.363 nan 8.380 nan 0.000 0.435 379 G N 1.919 110.734 108.800 0.026 0.000 2.421 379 G HA2 -0.295 3.665 3.960 0.000 0.000 0.216 379 G HA3 -0.295 3.665 3.960 0.000 0.000 0.216 379 G C 1.385 176.309 174.900 0.039 0.000 1.171 379 G CA 0.990 46.107 45.100 0.029 0.000 0.775 379 G HN 0.421 nan 8.290 nan 0.000 0.543 380 K N -0.322 120.114 120.400 0.060 0.000 2.155 380 K HA 0.209 4.529 4.320 0.000 0.000 0.203 380 K C 2.267 178.894 176.600 0.045 0.000 1.052 380 K CA 0.576 56.903 56.287 0.066 0.000 0.948 380 K CB -0.325 32.240 32.500 0.109 0.000 0.728 380 K HN 0.213 nan 8.250 nan 0.000 0.448 381 L N 2.894 124.142 121.223 0.041 0.000 1.976 381 L HA -0.193 4.147 4.340 0.000 0.000 0.209 381 L C 2.367 179.241 176.870 0.008 0.000 1.071 381 L CA 1.876 56.731 54.840 0.026 0.000 0.746 381 L CB -0.921 41.156 42.059 0.030 0.000 0.890 381 L HN 0.487 nan 8.230 nan 0.000 0.432 382 N N -0.642 118.063 118.700 0.007 0.000 2.061 382 N HA -0.260 4.480 4.740 0.000 0.000 0.193 382 N C 2.025 177.531 175.510 -0.007 0.000 1.030 382 N CA 1.420 54.469 53.050 -0.003 0.000 0.856 382 N CB -0.034 38.453 38.487 0.000 0.000 1.023 382 N HN 0.321 nan 8.380 nan 0.000 0.424 383 R N 0.365 120.867 120.500 0.003 0.000 2.096 383 R HA -0.095 4.245 4.340 0.000 0.000 0.240 383 R C 2.311 178.606 176.300 -0.009 0.000 1.139 383 R CA 1.166 57.268 56.100 0.002 0.000 0.952 383 R CB -0.676 29.632 30.300 0.014 0.000 0.854 383 R HN 0.194 nan 8.270 nan 0.000 0.436 384 V N 1.972 121.880 119.914 -0.009 0.000 2.594 384 V HA -0.151 3.969 4.120 0.000 0.000 0.253 384 V C 1.831 177.871 176.094 -0.090 0.000 1.069 384 V CA 1.655 63.935 62.300 -0.033 0.000 1.082 384 V CB -0.258 31.558 31.823 -0.012 0.000 0.680 384 V HN 0.386 nan 8.190 nan 0.000 0.469 385 I N -1.969 118.558 120.570 -0.072 0.000 3.424 385 I HA 0.343 4.513 4.170 0.000 0.000 0.339 385 I C 1.333 177.410 176.117 -0.067 0.000 1.549 385 I CA -0.005 61.238 61.300 -0.094 0.000 1.049 385 I CB 0.068 38.018 38.000 -0.084 0.000 1.439 385 I HN 0.309 nan 8.210 nan 0.000 0.500 386 E N 1.131 121.299 120.200 -0.053 0.000 2.340 386 E HA 0.111 4.461 4.350 0.000 0.000 0.194 386 E C 0.752 177.326 176.600 -0.042 0.000 0.996 386 E CA -0.059 56.319 56.400 -0.037 0.000 0.869 386 E CB 0.303 29.990 29.700 -0.021 0.000 0.835 386 E HN 0.268 nan 8.360 nan 0.000 0.493 387 K N 0.599 120.965 120.400 -0.058 0.000 2.102 387 K HA 0.199 4.519 4.320 0.000 0.000 0.244 387 K C 0.792 177.345 176.600 -0.078 0.000 1.021 387 K CA 0.604 56.855 56.287 -0.060 0.000 0.913 387 K CB 1.304 33.767 32.500 -0.061 0.000 1.062 387 K HN 0.175 nan 8.250 nan 0.000 0.485 388 T N -2.398 112.110 114.554 -0.077 0.000 3.272 388 T HA 0.216 4.566 4.350 0.000 0.000 0.247 388 T C -0.386 174.244 174.700 -0.117 0.000 0.990 388 T CA -0.234 61.815 62.100 -0.084 0.000 1.213 388 T CB -0.280 68.554 68.868 -0.058 0.000 1.124 388 T HN 0.610 nan 8.240 nan 0.000 0.401 389 N N 2.558 121.185 118.700 -0.121 0.000 2.469 389 N HA -0.113 4.627 4.740 0.000 0.000 0.283 389 N C -1.266 174.107 175.510 -0.228 0.000 1.326 389 N CA 0.355 53.308 53.050 -0.163 0.000 0.646 389 N CB -0.432 37.945 38.487 -0.184 0.000 0.894 389 N HN 0.705 nan 8.380 nan 0.000 0.533 390 E N 1.925 121.957 120.200 -0.280 0.000 2.227 390 E HA 0.291 4.642 4.350 0.000 0.000 0.282 390 E C -0.247 175.922 176.600 -0.718 0.000 1.015 390 E CA -0.319 55.768 56.400 -0.522 0.000 0.823 390 E CB 1.061 30.468 29.700 -0.488 0.000 1.081 390 E HN 0.100 nan 8.360 nan 0.000 0.396 391 K N 2.964 122.833 120.400 -0.886 0.000 2.471 391 K HA 0.323 4.643 4.320 0.000 0.000 0.252 391 K C -0.745 175.343 176.600 -0.854 0.000 0.938 391 K CA -0.449 55.430 56.287 -0.680 0.000 0.796 391 K CB 1.077 33.375 32.500 -0.337 0.000 1.161 391 K HN 0.323 nan 8.250 nan 0.000 0.425 392 F N 0.193 120.035 119.950 -0.181 0.000 2.414 392 F HA 0.199 4.726 4.527 0.000 0.000 0.215 392 F C 0.849 176.724 175.800 0.125 0.000 1.071 392 F CA -0.042 57.858 58.000 -0.166 0.000 1.042 392 F CB -0.695 38.229 39.000 -0.128 0.000 1.308 392 F HN 0.493 nan 8.300 nan 0.000 0.639 393 H N 1.116 120.366 119.070 0.300 0.000 2.819 393 H HA 0.373 4.929 4.556 0.000 0.000 0.303 393 H C -0.476 174.920 175.328 0.113 0.000 1.058 393 H CA 0.153 56.317 56.048 0.194 0.000 1.471 393 H CB 0.306 30.157 29.762 0.148 0.000 1.480 393 H HN 0.293 nan 8.280 nan 0.000 0.517 394 Q N 3.213 122.840 119.800 -0.290 0.000 3.375 394 Q HA 0.430 4.770 4.340 0.000 0.000 0.295 394 Q C -0.102 175.706 176.000 -0.320 0.000 0.996 394 Q CA -1.100 54.580 55.803 -0.204 0.000 0.801 394 Q CB 1.362 30.036 28.738 -0.107 0.000 2.066 394 Q HN 0.725 nan 8.270 nan 0.000 0.424 395 I N -1.711 118.768 120.570 -0.153 0.000 2.918 395 I HA 0.453 4.623 4.170 0.000 0.000 0.316 395 I C -0.253 175.795 176.117 -0.115 0.000 1.001 395 I CA -0.950 60.292 61.300 -0.097 0.000 1.142 395 I CB 0.987 38.991 38.000 0.008 0.000 1.356 395 I HN 0.269 nan 8.210 nan 0.000 0.524 396 E N 2.483 122.622 120.200 -0.101 0.000 2.313 396 E HA 0.267 4.617 4.350 0.000 0.000 0.272 396 E C -0.437 175.988 176.600 -0.292 0.000 1.038 396 E CA -0.330 55.918 56.400 -0.253 0.000 0.863 396 E CB 1.458 30.945 29.700 -0.355 0.000 1.060 396 E HN 0.598 nan 8.360 nan 0.000 0.402 397 K N 0.942 121.102 120.400 -0.400 0.000 2.483 397 K HA 0.289 4.609 4.320 0.000 0.000 0.206 397 K C -0.072 176.373 176.600 -0.259 0.000 1.086 397 K CA -0.029 56.142 56.287 -0.194 0.000 1.052 397 K CB 1.450 33.896 32.500 -0.089 0.000 0.904 397 K HN 0.333 nan 8.250 nan 0.000 0.557 398 E N 0.764 120.555 120.200 -0.681 0.000 2.292 398 E HA 0.465 4.815 4.350 0.000 0.000 0.272 398 E C -1.519 174.648 176.600 -0.720 0.000 0.881 398 E CA -0.744 55.430 56.400 -0.377 0.000 0.754 398 E CB 1.730 31.308 29.700 -0.204 0.000 1.201 398 E HN -0.111 nan 8.360 nan 0.000 0.425 399 F N 0.359 120.300 119.950 -0.016 0.000 2.561 399 F HA 0.238 4.765 4.527 0.000 0.000 0.313 399 F C 1.084 176.871 175.800 -0.022 0.000 1.126 399 F CA -0.747 57.243 58.000 -0.017 0.000 0.918 399 F CB 1.940 40.933 39.000 -0.011 0.000 1.199 399 F HN 0.321 nan 8.300 nan 0.000 0.444 400 S N 0.227 115.991 115.700 0.108 0.000 2.414 400 S HA 0.007 4.477 4.470 0.000 0.000 0.227 400 S C 0.163 174.793 174.600 0.049 0.000 1.022 400 S CA 0.696 58.924 58.200 0.046 0.000 0.958 400 S CB -0.154 63.041 63.200 -0.008 0.000 0.797 400 S HN 0.599 nan 8.310 nan 0.000 0.493 401 E N 0.168 120.410 120.200 0.070 0.000 2.277 401 E HA 0.509 4.860 4.350 0.000 0.000 0.266 401 E C -1.132 175.485 176.600 0.028 0.000 0.901 401 E CA -0.568 55.851 56.400 0.033 0.000 0.782 401 E CB 1.719 31.420 29.700 0.003 0.000 1.228 401 E HN -0.153 nan 8.360 nan 0.000 0.424 402 V N 2.839 122.752 119.914 -0.002 0.000 2.508 402 V HA 0.049 4.169 4.120 0.000 0.000 0.281 402 V C 0.453 176.527 176.094 -0.034 0.000 1.041 402 V CA 0.766 63.050 62.300 -0.027 0.000 1.016 402 V CB 0.722 32.531 31.823 -0.022 0.000 0.984 402 V HN 0.730 nan 8.190 nan 0.000 0.478 403 E N 3.263 123.426 120.200 -0.061 0.000 2.467 403 E HA 0.375 4.725 4.350 0.000 0.000 0.213 403 E C 1.056 177.621 176.600 -0.060 0.000 0.823 403 E CA 0.484 56.853 56.400 -0.052 0.000 1.233 403 E CB 1.110 30.778 29.700 -0.052 0.000 1.233 403 E HN 0.943 nan 8.360 nan 0.000 0.585 404 G N 2.209 110.958 108.800 -0.085 0.000 2.503 404 G HA2 -0.406 3.554 3.960 0.000 0.000 0.235 404 G HA3 -0.406 3.554 3.960 0.000 0.000 0.235 404 G C 0.643 175.491 174.900 -0.086 0.000 1.179 404 G CA 0.268 45.322 45.100 -0.076 0.000 0.944 404 G HN 0.196 nan 8.290 nan 0.000 0.580 405 R N -0.220 120.242 120.500 -0.064 0.000 2.224 405 R HA -0.242 4.098 4.340 0.000 0.000 0.255 405 R C 2.636 178.900 176.300 -0.061 0.000 1.130 405 R CA 2.941 59.006 56.100 -0.059 0.000 0.957 405 R CB -0.478 29.798 30.300 -0.040 0.000 0.907 405 R HN 0.543 nan 8.270 nan 0.000 0.446 406 I N 0.554 121.093 120.570 -0.052 0.000 2.439 406 I HA -0.192 3.979 4.170 0.000 0.000 0.251 406 I C 2.492 178.554 176.117 -0.091 0.000 1.139 406 I CA 1.319 62.596 61.300 -0.038 0.000 1.438 406 I CB -1.290 36.709 38.000 -0.002 0.000 1.085 406 I HN 0.469 nan 8.210 nan 0.000 0.427 407 Q N 0.894 120.582 119.800 -0.187 0.000 2.083 407 Q HA -0.188 4.152 4.340 0.000 0.000 0.198 407 Q C 1.675 177.489 176.000 -0.311 0.000 0.969 407 Q CA 1.500 57.048 55.803 -0.426 0.000 0.838 407 Q CB 0.196 28.597 28.738 -0.561 0.000 0.900 407 Q HN 0.399 nan 8.270 nan 0.000 0.436 408 D N 0.649 120.942 120.400 -0.178 0.000 2.123 408 D HA -0.187 4.454 4.640 0.000 0.000 0.196 408 D C 1.871 178.158 176.300 -0.022 0.000 0.992 408 D CA 0.822 54.764 54.000 -0.097 0.000 0.833 408 D CB -0.187 40.559 40.800 -0.089 0.000 0.954 408 D HN 0.241 nan 8.370 nan 0.000 0.455 409 L N 1.179 122.387 121.223 -0.026 0.000 2.056 409 L HA -0.097 4.243 4.340 0.000 0.000 0.207 409 L C 2.004 178.933 176.870 0.099 0.000 1.078 409 L CA 1.658 56.524 54.840 0.043 0.000 0.749 409 L CB -0.407 41.662 42.059 0.017 0.000 0.901 409 L HN -0.077 nan 8.230 nan 0.000 0.433 410 E N -0.682 119.550 120.200 0.053 0.000 2.110 410 E HA -0.237 4.113 4.350 0.000 0.000 0.193 410 E C 2.096 178.788 176.600 0.152 0.000 0.988 410 E CA 1.244 57.716 56.400 0.121 0.000 0.804 410 E CB -0.027 29.783 29.700 0.184 0.000 0.745 410 E HN 0.482 nan 8.360 nan 0.000 0.458 411 K N -0.217 120.232 120.400 0.081 0.000 2.103 411 K HA -0.127 4.194 4.320 0.000 0.000 0.204 411 K C 1.993 178.675 176.600 0.137 0.000 1.052 411 K CA 0.823 57.177 56.287 0.111 0.000 0.945 411 K CB -0.115 32.401 32.500 0.027 0.000 0.722 411 K HN 0.137 nan 8.250 nan 0.000 0.443 412 Y N 1.279 121.586 120.300 0.012 0.000 2.314 412 Y HA -0.187 4.364 4.550 0.000 0.000 0.293 412 Y C 1.902 177.822 175.900 0.033 0.000 1.129 412 Y CA 0.809 58.919 58.100 0.017 0.000 1.201 412 Y CB 0.050 38.511 38.460 0.001 0.000 0.999 412 Y HN -0.253 nan 8.280 nan 0.000 0.541 413 V N 0.141 120.140 119.914 0.141 0.000 2.307 413 V HA -0.256 3.864 4.120 0.000 0.000 0.245 413 V C 2.250 178.353 176.094 0.014 0.000 1.045 413 V CA 2.201 64.543 62.300 0.069 0.000 1.024 413 V CB -0.587 31.300 31.823 0.108 0.000 0.651 413 V HN 0.310 nan 8.190 nan 0.000 0.449 414 E N 0.594 120.820 120.200 0.043 0.000 2.047 414 E HA -0.239 4.111 4.350 0.000 0.000 0.191 414 E C 1.854 178.469 176.600 0.025 0.000 0.987 414 E CA 1.715 58.142 56.400 0.044 0.000 0.799 414 E CB -0.415 29.316 29.700 0.052 0.000 0.752 414 E HN 0.617 nan 8.360 nan 0.000 0.449 415 D N -1.206 119.185 120.400 -0.016 0.000 2.123 415 D HA -0.135 4.505 4.640 0.000 0.000 0.196 415 D C 1.715 177.961 176.300 -0.089 0.000 0.992 415 D CA 1.844 55.823 54.000 -0.035 0.000 0.833 415 D CB -0.306 40.458 40.800 -0.060 0.000 0.954 415 D HN 0.184 nan 8.370 nan 0.000 0.455 416 T N -0.182 114.244 114.554 -0.214 0.000 2.720 416 T HA -0.198 4.153 4.350 0.000 0.000 0.268 416 T C 1.783 176.438 174.700 -0.075 0.000 1.037 416 T CA 1.620 63.578 62.100 -0.236 0.000 1.144 416 T CB -0.247 68.407 68.868 -0.356 0.000 0.864 416 T HN 0.239 nan 8.240 nan 0.000 0.444 417 K N 0.784 121.190 120.400 0.011 0.000 1.984 417 K HA -0.009 4.311 4.320 0.000 0.000 0.209 417 K C 2.289 179.030 176.600 0.235 0.000 1.046 417 K CA 1.272 57.645 56.287 0.143 0.000 0.934 417 K CB -0.365 32.252 32.500 0.195 0.000 0.717 417 K HN 0.269 nan 8.250 nan 0.000 0.438 418 I N 1.793 122.486 120.570 0.205 0.000 2.194 418 I HA -0.316 3.854 4.170 0.000 0.000 0.246 418 I C 1.643 177.863 176.117 0.171 0.000 1.093 418 I CA 1.471 62.921 61.300 0.250 0.000 1.355 418 I CB -0.408 37.740 38.000 0.248 0.000 1.046 418 I HN 0.312 nan 8.210 nan 0.000 0.413 419 D N 0.638 121.086 120.400 0.080 0.000 2.149 419 D HA -0.076 4.564 4.640 0.000 0.000 0.201 419 D C 2.337 178.650 176.300 0.021 0.000 0.972 419 D CA 1.029 55.048 54.000 0.032 0.000 0.835 419 D CB -0.192 40.594 40.800 -0.022 0.000 0.966 419 D HN 0.299 nan 8.370 nan 0.000 0.476 420 L N -1.024 120.186 121.223 -0.021 0.000 2.093 420 L HA -0.095 4.245 4.340 0.000 0.000 0.208 420 L C 2.160 178.922 176.870 -0.181 0.000 1.085 420 L CA 0.898 55.664 54.840 -0.123 0.000 0.755 420 L CB -0.225 41.695 42.059 -0.231 0.000 0.904 420 L HN 0.118 nan 8.230 nan 0.000 0.435 421 W N -0.820 120.491 121.300 0.018 0.000 2.518 421 W HA -0.080 4.581 4.660 0.000 0.000 0.273 421 W C 2.763 179.191 176.519 -0.150 0.000 1.247 421 W CA 0.639 57.967 57.345 -0.027 0.000 1.288 421 W CB -0.075 29.392 29.460 0.012 0.000 1.107 421 W HN -0.029 nan 8.180 nan 0.000 0.586 422 S N -0.534 115.212 115.700 0.077 0.000 2.368 422 S HA -0.256 4.214 4.470 0.000 0.000 0.224 422 S C 1.463 176.018 174.600 -0.075 0.000 1.029 422 S CA 1.354 59.517 58.200 -0.061 0.000 0.988 422 S CB -0.795 62.391 63.200 -0.023 0.000 0.838 422 S HN 0.369 nan 8.310 nan 0.000 0.462 423 Y N 2.813 123.043 120.300 -0.116 0.000 2.145 423 Y HA -0.121 4.429 4.550 0.000 0.000 0.286 423 Y C 1.925 177.748 175.900 -0.128 0.000 1.145 423 Y CA 1.481 59.511 58.100 -0.117 0.000 1.148 423 Y CB -0.837 37.555 38.460 -0.114 0.000 0.981 423 Y HN 0.285 nan 8.280 nan 0.000 0.507 424 N N -0.163 118.418 118.700 -0.197 0.000 2.069 424 N HA -0.255 4.485 4.740 0.000 0.000 0.191 424 N C 1.965 177.349 175.510 -0.210 0.000 1.031 424 N CA 1.023 53.935 53.050 -0.229 0.000 0.852 424 N CB -0.325 38.056 38.487 -0.177 0.000 1.018 424 N HN 0.490 nan 8.380 nan 0.000 0.423 425 A N 1.155 123.787 122.820 -0.313 0.000 1.877 425 A HA -0.184 4.136 4.320 0.000 0.000 0.216 425 A C 2.088 179.497 177.584 -0.292 0.000 1.186 425 A CA 1.459 53.168 52.037 -0.546 0.000 0.620 425 A CB -0.542 17.730 19.000 -1.214 0.000 0.822 425 A HN 0.242 nan 8.150 nan 0.000 0.443 426 E N -0.349 119.680 120.200 -0.286 0.000 2.051 426 E HA -0.180 4.171 4.350 0.000 0.000 0.192 426 E C 1.815 178.280 176.600 -0.224 0.000 0.991 426 E CA 1.418 57.690 56.400 -0.213 0.000 0.799 426 E CB -0.360 29.232 29.700 -0.180 0.000 0.748 426 E HN 0.431 nan 8.360 nan 0.000 0.449 427 L N -0.096 120.905 121.223 -0.371 0.000 2.027 427 L HA -0.043 4.297 4.340 0.000 0.000 0.206 427 L C 2.221 178.993 176.870 -0.163 0.000 1.074 427 L CA 1.502 56.145 54.840 -0.329 0.000 0.745 427 L CB -0.788 40.944 42.059 -0.545 0.000 0.898 427 L HN 0.350 nan 8.230 nan 0.000 0.433 428 L N -1.000 120.153 121.223 -0.116 0.000 1.990 428 L HA -0.195 4.145 4.340 0.000 0.000 0.213 428 L C 2.414 179.296 176.870 0.019 0.000 1.072 428 L CA 2.060 56.895 54.840 -0.007 0.000 0.755 428 L CB -0.892 41.225 42.059 0.097 0.000 0.889 428 L HN 0.113 nan 8.230 nan 0.000 0.432 429 V N 0.101 120.031 119.914 0.026 0.000 2.392 429 V HA -0.339 3.781 4.120 0.000 0.000 0.249 429 V C 2.770 178.871 176.094 0.012 0.000 1.059 429 V CA 1.768 64.091 62.300 0.038 0.000 1.051 429 V CB -1.286 30.559 31.823 0.035 0.000 0.658 429 V HN 0.673 nan 8.190 nan 0.000 0.455 430 A N -0.438 122.370 122.820 -0.019 0.000 1.855 430 A HA -0.113 4.207 4.320 0.000 0.000 0.215 430 A C 2.188 179.772 177.584 -0.000 0.000 1.191 430 A CA 1.651 53.678 52.037 -0.018 0.000 0.613 430 A CB -0.505 18.470 19.000 -0.041 0.000 0.829 430 A HN 0.478 nan 8.150 nan 0.000 0.442 431 L N -0.479 120.739 121.223 -0.008 0.000 2.012 431 L HA -0.205 4.136 4.340 0.000 0.000 0.210 431 L C 2.728 179.630 176.870 0.053 0.000 1.073 431 L CA 1.482 56.327 54.840 0.009 0.000 0.748 431 L CB -0.706 41.344 42.059 -0.016 0.000 0.891 431 L HN 0.384 nan 8.230 nan 0.000 0.431 432 E N 0.366 120.600 120.200 0.057 0.000 2.058 432 E HA -0.210 4.140 4.350 0.000 0.000 0.194 432 E C 1.863 178.525 176.600 0.105 0.000 0.997 432 E CA 1.412 57.873 56.400 0.102 0.000 0.801 432 E CB -0.504 29.246 29.700 0.084 0.000 0.746 432 E HN 0.635 nan 8.360 nan 0.000 0.450 433 N N 0.515 119.251 118.700 0.061 0.000 2.188 433 N HA -0.190 4.550 4.740 0.000 0.000 0.184 433 N C 1.985 177.515 175.510 0.034 0.000 1.018 433 N CA 0.747 53.819 53.050 0.038 0.000 0.858 433 N CB -0.058 38.439 38.487 0.018 0.000 0.989 433 N HN 0.039 nan 8.380 nan 0.000 0.426 434 Q N 0.781 120.609 119.800 0.047 0.000 2.079 434 Q HA -0.167 4.173 4.340 0.000 0.000 0.200 434 Q C 1.924 177.970 176.000 0.078 0.000 0.974 434 Q CA 1.460 57.290 55.803 0.045 0.000 0.840 434 Q CB -0.299 28.465 28.738 0.043 0.000 0.898 434 Q HN 0.472 nan 8.270 nan 0.000 0.430 435 H N -1.172 117.900 119.070 0.004 0.000 2.293 435 H HA -0.101 4.455 4.556 0.000 0.000 0.300 435 H C 1.436 176.775 175.328 0.018 0.000 1.082 435 H CA 1.841 57.895 56.048 0.010 0.000 1.308 435 H CB 0.179 29.948 29.762 0.013 0.000 1.375 435 H HN 0.333 nan 8.280 nan 0.000 0.495 436 T N 1.459 115.968 114.554 -0.075 0.000 2.699 436 T HA -0.152 4.198 4.350 0.000 0.000 0.268 436 T C 2.222 176.872 174.700 -0.084 0.000 1.036 436 T CA 1.526 63.564 62.100 -0.104 0.000 1.147 436 T CB -0.209 68.656 68.868 -0.006 0.000 0.862 436 T HN 0.317 nan 8.240 nan 0.000 0.446 437 I N 0.970 121.506 120.570 -0.056 0.000 2.252 437 I HA -0.144 4.027 4.170 0.000 0.000 0.245 437 I C 2.271 178.352 176.117 -0.060 0.000 1.102 437 I CA 1.134 62.399 61.300 -0.059 0.000 1.385 437 I CB -0.322 37.650 38.000 -0.047 0.000 1.064 437 I HN 0.158 nan 8.210 nan 0.000 0.414 438 D N 0.931 121.298 120.400 -0.055 0.000 2.097 438 D HA -0.177 4.463 4.640 0.000 0.000 0.197 438 D C 2.185 178.442 176.300 -0.072 0.000 0.984 438 D CA 1.083 55.056 54.000 -0.044 0.000 0.826 438 D CB -0.393 40.404 40.800 -0.005 0.000 0.973 438 D HN 0.318 nan 8.370 nan 0.000 0.460 439 L N 1.087 122.221 121.223 -0.148 0.000 2.042 439 L HA -0.206 4.135 4.340 0.000 0.000 0.210 439 L C 2.301 179.140 176.870 -0.052 0.000 1.076 439 L CA 2.206 56.950 54.840 -0.159 0.000 0.749 439 L CB -0.622 41.240 42.059 -0.329 0.000 0.893 439 L HN 0.115 nan 8.230 nan 0.000 0.432 440 T N -3.748 110.804 114.554 -0.003 0.000 2.812 440 T HA -0.122 4.228 4.350 0.000 0.000 0.264 440 T C 1.507 176.260 174.700 0.087 0.000 1.042 440 T CA 0.984 63.157 62.100 0.122 0.000 1.140 440 T CB -0.526 68.395 68.868 0.089 0.000 0.870 440 T HN 0.319 nan 8.240 nan 0.000 0.445 441 D N 1.359 121.751 120.400 -0.014 0.000 2.117 441 D HA -0.060 4.580 4.640 0.000 0.000 0.197 441 D C 2.377 178.643 176.300 -0.057 0.000 0.987 441 D CA 1.310 55.286 54.000 -0.040 0.000 0.829 441 D CB -0.690 40.083 40.800 -0.044 0.000 0.961 441 D HN 0.437 nan 8.370 nan 0.000 0.460 442 S N 0.023 115.688 115.700 -0.058 0.000 2.359 442 S HA -0.176 4.294 4.470 0.000 0.000 0.224 442 S C 1.765 176.281 174.600 -0.140 0.000 1.035 442 S CA 1.068 59.223 58.200 -0.075 0.000 1.018 442 S CB -0.047 63.119 63.200 -0.057 0.000 0.876 442 S HN 0.086 nan 8.310 nan 0.000 0.448 443 E N 0.644 120.727 120.200 -0.194 0.000 2.085 443 E HA -0.175 4.175 4.350 0.000 0.000 0.194 443 E C 1.961 178.234 176.600 -0.545 0.000 0.994 443 E CA 1.328 57.485 56.400 -0.404 0.000 0.801 443 E CB -0.522 28.817 29.700 -0.602 0.000 0.743 443 E HN 0.563 nan 8.360 nan 0.000 0.453 444 M N 1.404 120.754 119.600 -0.416 0.000 2.066 444 M HA -0.185 4.296 4.480 0.000 0.000 0.259 444 M C 1.835 177.876 176.300 -0.431 0.000 1.074 444 M CA 1.932 57.036 55.300 -0.326 0.000 1.114 444 M CB -0.704 31.823 32.600 -0.121 0.000 1.306 444 M HN -0.030 nan 8.290 nan 0.000 0.411 445 N N -0.273 118.227 118.700 -0.334 0.000 2.137 445 N HA -0.188 4.552 4.740 0.000 0.000 0.190 445 N C 1.513 176.988 175.510 -0.058 0.000 1.017 445 N CA 1.676 54.608 53.050 -0.196 0.000 0.859 445 N CB -0.070 38.379 38.487 -0.064 0.000 1.002 445 N HN 0.434 nan 8.380 nan 0.000 0.428 446 K N -0.396 119.941 120.400 -0.105 0.000 2.026 446 K HA -0.145 4.176 4.320 0.000 0.000 0.208 446 K C 1.818 178.390 176.600 -0.047 0.000 1.048 446 K CA 1.006 57.254 56.287 -0.064 0.000 0.929 446 K CB -0.329 32.107 32.500 -0.107 0.000 0.713 446 K HN 0.173 nan 8.250 nan 0.000 0.439 447 L N 0.792 121.944 121.223 -0.118 0.000 2.012 447 L HA -0.172 4.168 4.340 0.000 0.000 0.210 447 L C 2.073 178.965 176.870 0.036 0.000 1.073 447 L CA 1.562 56.352 54.840 -0.083 0.000 0.748 447 L CB -0.671 41.269 42.059 -0.198 0.000 0.891 447 L HN 0.088 nan 8.230 nan 0.000 0.431 448 F N 0.322 120.219 119.950 -0.088 0.000 2.126 448 F HA -0.228 4.299 4.527 0.000 0.000 0.299 448 F C 2.357 178.306 175.800 0.248 0.000 1.096 448 F CA 1.883 59.961 58.000 0.130 0.000 1.255 448 F CB -0.126 38.914 39.000 0.068 0.000 0.997 448 F HN 0.183 nan 8.300 nan 0.000 0.479 449 E N 0.556 120.881 120.200 0.209 0.000 2.072 449 E HA -0.231 4.119 4.350 0.000 0.000 0.191 449 E C 2.191 178.799 176.600 0.013 0.000 0.985 449 E CA 1.187 57.661 56.400 0.123 0.000 0.801 449 E CB -0.591 29.189 29.700 0.135 0.000 0.750 449 E HN 0.476 nan 8.360 nan 0.000 0.452 450 K N 0.561 120.966 120.400 0.010 0.000 2.032 450 K HA -0.136 4.184 4.320 0.000 0.000 0.209 450 K C 2.038 178.603 176.600 -0.059 0.000 1.048 450 K CA 1.894 58.175 56.287 -0.011 0.000 0.927 450 K CB -0.083 32.424 32.500 0.010 0.000 0.712 450 K HN 0.005 nan 8.250 nan 0.000 0.441 451 T N 0.626 115.134 114.554 -0.078 0.000 2.821 451 T HA -0.098 4.252 4.350 0.000 0.000 0.267 451 T C 1.804 176.193 174.700 -0.518 0.000 1.046 451 T CA 1.049 63.013 62.100 -0.227 0.000 1.139 451 T CB -0.180 68.625 68.868 -0.105 0.000 0.871 451 T HN 0.307 nan 8.240 nan 0.000 0.454 452 R N 0.981 121.217 120.500 -0.440 0.000 2.091 452 R HA -0.068 4.272 4.340 0.000 0.000 0.238 452 R C 2.535 178.694 176.300 -0.234 0.000 1.136 452 R CA 1.343 57.215 56.100 -0.380 0.000 0.959 452 R CB -0.035 30.236 30.300 -0.049 0.000 0.856 452 R HN 0.363 nan 8.270 nan 0.000 0.437 453 R N -0.332 120.081 120.500 -0.146 0.000 2.115 453 R HA -0.075 4.265 4.340 0.000 0.000 0.226 453 R C 2.365 178.590 176.300 -0.125 0.000 1.100 453 R CA 0.981 57.021 56.100 -0.101 0.000 0.980 453 R CB -0.204 30.063 30.300 -0.054 0.000 0.875 453 R HN 0.379 nan 8.270 nan 0.000 0.445 454 Q N 0.761 120.481 119.800 -0.133 0.000 2.084 454 Q HA -0.083 4.258 4.340 0.000 0.000 0.202 454 Q C 2.087 178.071 176.000 -0.026 0.000 0.978 454 Q CA 1.172 56.938 55.803 -0.061 0.000 0.844 454 Q CB 0.045 28.730 28.738 -0.089 0.000 0.898 454 Q HN 0.349 nan 8.270 nan 0.000 0.426 455 L N -0.208 120.889 121.223 -0.209 0.000 2.291 455 L HA -0.111 4.229 4.340 0.000 0.000 0.214 455 L C 0.971 177.827 176.870 -0.023 0.000 1.120 455 L CA 0.163 54.911 54.840 -0.153 0.000 0.799 455 L CB -0.197 41.615 42.059 -0.410 0.000 0.925 455 L HN 0.193 nan 8.230 nan 0.000 0.446 456 R N 0.167 120.593 120.500 -0.125 0.000 3.726 456 R HA -0.256 4.084 4.340 0.000 0.000 0.510 456 R C 1.064 177.367 176.300 0.004 0.000 0.241 456 R CA 1.721 57.741 56.100 -0.134 0.000 1.592 456 R CB -1.199 28.841 30.300 -0.434 0.000 0.955 456 R HN 0.157 nan 8.270 nan 0.000 0.585 457 E N 1.824 122.066 120.200 0.071 0.000 2.463 457 E HA 0.019 4.369 4.350 0.000 0.000 0.191 457 E C 0.791 177.444 176.600 0.089 0.000 1.083 457 E CA 0.313 56.775 56.400 0.102 0.000 0.872 457 E CB -0.348 29.442 29.700 0.150 0.000 0.966 457 E HN 0.295 nan 8.360 nan 0.000 0.491 458 N N 0.490 119.282 118.700 0.155 0.000 2.336 458 N HA 0.115 4.855 4.740 0.000 0.000 0.189 458 N C 0.026 175.679 175.510 0.238 0.000 1.113 458 N CA 0.261 53.444 53.050 0.222 0.000 0.858 458 N CB 0.783 39.494 38.487 0.373 0.000 0.970 458 N HN 0.064 nan 8.380 nan 0.000 0.471 459 A N -0.183 122.742 122.820 0.176 0.000 2.606 459 A HA 0.660 4.980 4.320 0.000 0.000 0.293 459 A C -1.410 176.348 177.584 0.290 0.000 1.082 459 A CA -0.721 51.476 52.037 0.268 0.000 0.685 459 A CB 1.558 20.627 19.000 0.116 0.000 1.284 459 A HN 0.054 nan 8.150 nan 0.000 0.408 460 E N 0.554 121.006 120.200 0.420 0.000 2.248 460 E HA 0.343 4.693 4.350 0.000 0.000 0.267 460 E C -1.058 175.751 176.600 0.348 0.000 0.877 460 E CA -0.653 55.963 56.400 0.360 0.000 0.759 460 E CB 2.460 32.373 29.700 0.355 0.000 1.182 460 E HN 0.681 nan 8.360 nan 0.000 0.418 461 E N 3.348 123.725 120.200 0.294 0.000 2.265 461 E HA -0.003 4.347 4.350 0.000 0.000 0.272 461 E C 0.162 176.817 176.600 0.091 0.000 1.067 461 E CA 0.060 56.552 56.400 0.153 0.000 0.900 461 E CB 0.520 30.351 29.700 0.219 0.000 1.017 461 E HN 0.511 nan 8.360 nan 0.000 0.431 462 M N 3.583 123.202 119.600 0.031 0.000 2.691 462 M HA 0.092 4.572 4.480 0.000 0.000 0.227 462 M C 1.421 177.702 176.300 -0.030 0.000 1.120 462 M CA 0.850 56.160 55.300 0.016 0.000 1.034 462 M CB 0.146 32.750 32.600 0.006 0.000 1.675 462 M HN 0.937 nan 8.290 nan 0.000 0.514 463 G N 1.507 110.271 108.800 -0.059 0.000 2.270 463 G HA2 -0.350 3.610 3.960 0.000 0.000 0.268 463 G HA3 -0.350 3.610 3.960 0.000 0.000 0.268 463 G C 0.575 175.356 174.900 -0.198 0.000 0.982 463 G CA 0.899 45.931 45.100 -0.114 0.000 0.628 463 G HN 0.675 nan 8.290 nan 0.000 0.544 464 N N 0.425 119.012 118.700 -0.189 0.000 2.235 464 N HA 0.405 5.145 4.740 0.000 0.000 0.209 464 N C 1.459 176.764 175.510 -0.342 0.000 1.122 464 N CA 0.721 53.638 53.050 -0.221 0.000 0.845 464 N CB -0.012 38.409 38.487 -0.109 0.000 1.004 464 N HN 1.629 nan 8.380 nan 0.000 0.499 465 G N -0.638 107.875 108.800 -0.478 0.000 2.141 465 G HA2 -0.234 3.726 3.960 0.000 0.000 0.231 465 G HA3 -0.234 3.726 3.960 0.000 0.000 0.231 465 G C -0.249 174.646 174.900 -0.008 0.000 0.984 465 G CA 0.154 44.892 45.100 -0.602 0.000 0.660 465 G HN 0.488 nan 8.290 nan 0.000 0.525 466 c N -0.454 118.120 118.600 -0.043 0.000 2.667 466 c HA 0.866 5.436 4.570 0.000 0.000 0.323 466 c C -0.208 173.820 174.090 -0.103 0.000 1.214 466 c CA -1.082 55.270 56.329 0.038 0.000 1.721 466 c CB 1.157 43.707 42.510 0.067 0.000 2.275 466 c HN 0.283 nan 8.230 nan 0.000 0.491 467 F N 1.247 121.298 119.950 0.167 0.000 2.458 467 F HA 0.462 4.989 4.527 0.000 0.000 0.336 467 F C 0.415 176.225 175.800 0.017 0.000 1.114 467 F CA -0.539 57.515 58.000 0.090 0.000 0.987 467 F CB 1.112 40.124 39.000 0.020 0.000 1.130 467 F HN 0.399 nan 8.300 nan 0.000 0.458 468 K N 4.942 125.447 120.400 0.176 0.000 2.268 468 K HA 0.459 4.779 4.320 0.000 0.000 0.276 468 K C -0.801 175.749 176.600 -0.085 0.000 1.080 468 K CA -0.260 55.992 56.287 -0.059 0.000 0.910 468 K CB 0.347 32.725 32.500 -0.203 0.000 1.163 468 K HN 0.655 nan 8.250 nan 0.000 0.465 469 I N 5.671 126.161 120.570 -0.134 0.000 2.308 469 I HA 0.035 4.205 4.170 0.000 0.000 0.293 469 I C -0.214 175.776 176.117 -0.211 0.000 1.078 469 I CA -0.576 60.639 61.300 -0.142 0.000 1.292 469 I CB 0.300 38.116 38.000 -0.306 0.000 1.423 469 I HN 0.607 nan 8.210 nan 0.000 0.493 470 Y N 5.959 126.229 120.300 -0.052 0.000 3.127 470 Y HA 0.041 4.591 4.550 0.000 0.000 0.387 470 Y C 0.498 176.446 175.900 0.080 0.000 1.029 470 Y CA -0.193 57.903 58.100 -0.007 0.000 1.905 470 Y CB -1.388 37.067 38.460 -0.009 0.000 2.007 470 Y HN 0.621 nan 8.280 nan 0.000 0.435 471 H N -3.143 115.970 119.070 0.072 0.000 3.037 471 H HA 0.314 4.870 4.556 0.000 0.000 0.336 471 H C -1.127 174.209 175.328 0.014 0.000 1.323 471 H CA -1.649 54.440 56.048 0.068 0.000 1.159 471 H CB 0.752 30.580 29.762 0.110 0.000 1.882 471 H HN -0.220 nan 8.280 nan 0.000 0.535 472 K N 1.697 122.229 120.400 0.220 0.000 2.430 472 K HA 0.161 4.481 4.320 0.000 0.000 0.280 472 K C -1.076 175.612 176.600 0.148 0.000 1.063 472 K CA 0.124 56.489 56.287 0.131 0.000 1.071 472 K CB -0.263 32.331 32.500 0.156 0.000 0.899 472 K HN 0.667 nan 8.250 nan 0.000 0.473 473 c N 7.310 125.875 118.600 -0.058 0.000 2.814 473 c HA 0.211 4.781 4.570 0.000 0.000 0.269 473 c C -0.431 173.618 174.090 -0.069 0.000 1.090 473 c CA -0.995 55.274 56.329 -0.100 0.000 1.492 473 c CB -0.864 41.450 42.510 -0.326 0.000 1.825 473 c HN 0.912 nan 8.230 nan 0.000 0.442 474 D N 2.296 122.691 120.400 -0.008 0.000 2.393 474 D HA 0.030 4.670 4.640 0.000 0.000 0.246 474 D C 1.053 177.305 176.300 -0.079 0.000 1.275 474 D CA -0.231 53.758 54.000 -0.019 0.000 0.979 474 D CB 0.437 41.246 40.800 0.016 0.000 1.101 474 D HN 0.607 nan 8.370 nan 0.000 0.505 475 N N -0.492 118.159 118.700 -0.082 0.000 2.094 475 N HA -0.228 4.512 4.740 0.000 0.000 0.191 475 N C 1.726 177.161 175.510 -0.126 0.000 1.023 475 N CA 1.317 54.274 53.050 -0.155 0.000 0.857 475 N CB -0.236 38.216 38.487 -0.058 0.000 1.013 475 N HN 0.558 nan 8.380 nan 0.000 0.426 476 A N 0.581 123.370 122.820 -0.051 0.000 1.972 476 A HA -0.188 4.132 4.320 0.000 0.000 0.219 476 A C 2.542 180.120 177.584 -0.009 0.000 1.169 476 A CA 1.232 53.256 52.037 -0.022 0.000 0.635 476 A CB -1.049 17.957 19.000 0.010 0.000 0.810 476 A HN 0.600 nan 8.150 nan 0.000 0.446 477 c N -0.534 118.066 118.600 0.000 0.000 2.476 477 c HA -0.007 4.563 4.570 0.000 0.000 0.278 477 c C 2.424 176.485 174.090 -0.048 0.000 1.274 477 c CA 0.978 57.334 56.329 0.046 0.000 1.713 477 c CB -1.098 41.440 42.510 0.048 0.000 2.039 477 c HN 0.547 nan 8.230 nan 0.000 0.484 478 I N 1.284 121.745 120.570 -0.183 0.000 2.264 478 I HA -0.114 4.056 4.170 0.000 0.000 0.248 478 I C 2.699 178.649 176.117 -0.279 0.000 1.111 478 I CA 1.522 62.637 61.300 -0.308 0.000 1.382 478 I CB -1.509 36.144 38.000 -0.578 0.000 1.060 478 I HN 0.489 nan 8.210 nan 0.000 0.418 479 E N 1.047 121.126 120.200 -0.202 0.000 2.031 479 E HA -0.184 4.166 4.350 0.000 0.000 0.193 479 E C 2.377 178.903 176.600 -0.124 0.000 0.994 479 E CA 1.833 58.138 56.400 -0.158 0.000 0.800 479 E CB -0.085 29.561 29.700 -0.091 0.000 0.752 479 E HN 0.559 nan 8.360 nan 0.000 0.447 480 S N 0.520 116.196 115.700 -0.040 0.000 2.387 480 S HA -0.170 4.301 4.470 0.000 0.000 0.230 480 S C 2.228 176.837 174.600 0.016 0.000 1.035 480 S CA 1.340 59.560 58.200 0.034 0.000 1.014 480 S CB -0.666 62.619 63.200 0.141 0.000 0.836 480 S HN 0.258 nan 8.310 nan 0.000 0.466 481 I N 1.614 122.133 120.570 -0.085 0.000 2.252 481 I HA -0.138 4.032 4.170 0.000 0.000 0.245 481 I C 3.076 179.013 176.117 -0.298 0.000 1.102 481 I CA 1.237 62.398 61.300 -0.232 0.000 1.385 481 I CB -0.348 37.388 38.000 -0.440 0.000 1.064 481 I HN 0.275 nan 8.210 nan 0.000 0.414 482 R N 1.380 121.607 120.500 -0.456 0.000 2.081 482 R HA -0.156 4.184 4.340 0.000 0.000 0.235 482 R C 0.989 177.159 176.300 -0.216 0.000 1.131 482 R CA 1.725 57.444 56.100 -0.635 0.000 0.960 482 R CB -0.634 29.252 30.300 -0.691 0.000 0.856 482 R HN 0.560 nan 8.270 nan 0.000 0.436 483 N N -0.559 118.068 118.700 -0.121 0.000 2.558 483 N HA 0.136 4.876 4.740 0.000 0.000 0.281 483 N C 0.534 176.042 175.510 -0.004 0.000 1.219 483 N CA 0.310 53.339 53.050 -0.035 0.000 0.942 483 N CB 0.984 39.458 38.487 -0.023 0.000 1.241 483 N HN 0.158 nan 8.380 nan 0.000 0.511 484 G N 0.304 109.104 108.800 0.001 0.000 2.256 484 G HA2 -0.414 3.546 3.960 0.000 0.000 0.279 484 G HA3 -0.414 3.546 3.960 0.000 0.000 0.279 484 G C 0.907 175.839 174.900 0.053 0.000 0.998 484 G CA 1.363 46.480 45.100 0.029 0.000 0.720 484 G HN 0.682 nan 8.290 nan 0.000 0.521 485 T N -3.370 111.220 114.554 0.060 0.000 3.145 485 T HA 0.345 4.695 4.350 0.000 0.000 0.255 485 T C 0.733 175.500 174.700 0.113 0.000 1.039 485 T CA -0.027 62.113 62.100 0.066 0.000 0.928 485 T CB 0.158 69.049 68.868 0.037 0.000 1.029 485 T HN 0.518 nan 8.240 nan 0.000 0.554 486 Y N 3.191 123.499 120.300 0.013 0.000 2.650 486 Y HA 0.279 4.829 4.550 0.000 0.000 0.342 486 Y C -0.027 175.935 175.900 0.102 0.000 1.110 486 Y CA -1.011 57.121 58.100 0.053 0.000 1.438 486 Y CB 0.022 38.489 38.460 0.012 0.000 1.181 486 Y HN 0.082 nan 8.280 nan 0.000 0.526 487 D N 5.017 125.267 120.400 -0.250 0.000 2.365 487 D HA 0.015 4.655 4.640 0.000 0.000 0.237 487 D C 0.882 176.923 176.300 -0.432 0.000 1.190 487 D CA -0.114 53.750 54.000 -0.228 0.000 0.867 487 D CB 0.263 40.948 40.800 -0.191 0.000 1.050 487 D HN 0.878 nan 8.370 nan 0.000 0.491 488 H N 1.685 120.558 119.070 -0.328 0.000 2.470 488 H HA 0.019 4.576 4.556 0.000 0.000 0.289 488 H C 0.942 176.211 175.328 -0.098 0.000 1.033 488 H CA 0.934 56.875 56.048 -0.178 0.000 1.331 488 H CB 0.262 30.090 29.762 0.110 0.000 1.414 488 H HN 0.253 nan 8.280 nan 0.000 0.545 489 D N 0.615 120.520 120.400 -0.826 0.000 2.182 489 D HA -0.136 4.504 4.640 0.000 0.000 0.201 489 D C 2.151 178.202 176.300 -0.414 0.000 0.986 489 D CA 1.293 54.906 54.000 -0.646 0.000 0.847 489 D CB -0.003 40.522 40.800 -0.460 0.000 0.942 489 D HN 0.319 nan 8.370 nan 0.000 0.467 490 V N -0.111 119.521 119.914 -0.469 0.000 2.324 490 V HA -0.260 3.861 4.120 0.000 0.000 0.250 490 V C 1.275 176.960 176.094 -0.682 0.000 1.060 490 V CA 1.622 63.545 62.300 -0.629 0.000 1.042 490 V CB -0.606 30.650 31.823 -0.946 0.000 0.650 490 V HN 0.340 nan 8.190 nan 0.000 0.450 491 Y N -1.372 118.716 120.300 -0.353 0.000 2.481 491 Y HA 0.330 4.880 4.550 0.000 0.000 0.247 491 Y C 2.114 177.881 175.900 -0.221 0.000 1.151 491 Y CA -0.415 57.459 58.100 -0.377 0.000 1.238 491 Y CB -0.427 37.502 38.460 -0.884 0.000 1.179 491 Y HN 0.006 nan 8.280 nan 0.000 0.524 492 R N 1.273 121.742 120.500 -0.051 0.000 2.112 492 R HA -0.225 4.115 4.340 0.000 0.000 0.242 492 R C 1.629 177.942 176.300 0.021 0.000 1.137 492 R CA 2.298 58.403 56.100 0.008 0.000 0.944 492 R CB -0.121 30.140 30.300 -0.067 0.000 0.857 492 R HN 0.293 nan 8.270 nan 0.000 0.435 493 N N 0.536 119.227 118.700 -0.014 0.000 2.043 493 N HA -0.234 4.506 4.740 0.000 0.000 0.193 493 N C 1.649 177.177 175.510 0.028 0.000 1.037 493 N CA 1.669 54.722 53.050 0.006 0.000 0.851 493 N CB -0.460 38.017 38.487 -0.016 0.000 1.027 493 N HN 0.436 nan 8.380 nan 0.000 0.422 494 E N 0.613 120.836 120.200 0.038 0.000 2.085 494 E HA -0.149 4.201 4.350 0.000 0.000 0.194 494 E C 1.777 178.438 176.600 0.102 0.000 0.994 494 E CA 1.218 57.664 56.400 0.077 0.000 0.801 494 E CB -0.028 29.740 29.700 0.113 0.000 0.743 494 E HN 0.337 nan 8.360 nan 0.000 0.453 495 A N 0.768 123.661 122.820 0.122 0.000 1.898 495 A HA -0.141 4.179 4.320 0.000 0.000 0.216 495 A C 2.087 179.629 177.584 -0.071 0.000 1.181 495 A CA 0.967 53.078 52.037 0.123 0.000 0.620 495 A CB -0.563 18.555 19.000 0.197 0.000 0.819 495 A HN 0.319 nan 8.150 nan 0.000 0.442 496 L N 0.574 121.761 121.223 -0.061 0.000 2.127 496 L HA -0.161 4.179 4.340 0.000 0.000 0.211 496 L C 2.165 178.982 176.870 -0.087 0.000 1.089 496 L CA 1.567 56.337 54.840 -0.116 0.000 0.757 496 L CB -0.891 41.209 42.059 0.069 0.000 0.899 496 L HN 0.446 nan 8.230 nan 0.000 0.434 497 N N -0.841 117.852 118.700 -0.010 0.000 2.148 497 N HA -0.125 4.615 4.740 0.000 0.000 0.186 497 N C 1.524 177.037 175.510 0.005 0.000 1.031 497 N CA 0.965 54.031 53.050 0.027 0.000 0.848 497 N CB -0.039 38.475 38.487 0.046 0.000 1.005 497 N HN 0.392 nan 8.380 nan 0.000 0.427 498 N N 1.460 120.173 118.700 0.021 0.000 2.137 498 N HA -0.131 4.609 4.740 0.000 0.000 0.190 498 N C 1.737 177.245 175.510 -0.005 0.000 1.017 498 N CA 0.942 54.038 53.050 0.077 0.000 0.859 498 N CB -0.044 38.556 38.487 0.188 0.000 1.002 498 N HN 0.331 nan 8.380 nan 0.000 0.428 499 R N 0.137 120.456 120.500 -0.302 0.000 2.065 499 R HA 0.008 4.348 4.340 0.000 0.000 0.224 499 R C 1.450 177.518 176.300 -0.386 0.000 1.161 499 R CA 0.981 56.650 56.100 -0.718 0.000 0.923 499 R CB -0.485 29.031 30.300 -1.306 0.000 0.822 499 R HN 0.116 nan 8.270 nan 0.000 0.437 500 F N 1.032 120.929 119.950 -0.089 0.000 2.772 500 F HA 0.060 4.587 4.527 0.000 0.000 0.301 500 F C -0.139 175.656 175.800 -0.009 0.000 1.250 500 F CA 0.470 58.445 58.000 -0.042 0.000 1.441 500 F CB -0.740 38.241 39.000 -0.031 0.000 1.112 500 F HN 0.106 nan 8.300 nan 0.000 0.563 501 Q N 0.247 120.122 119.800 0.124 0.000 3.651 501 Q HA 0.137 4.477 4.340 0.000 0.000 0.121 501 Q C -0.793 175.251 176.000 0.074 0.000 0.944 501 Q CA -0.154 55.707 55.803 0.097 0.000 1.330 501 Q CB -0.665 28.131 28.738 0.096 0.000 1.107 501 Q HN 0.343 nan 8.270 nan 0.000 0.610 502 I N 0.000 120.613 120.570 0.071 0.000 2.984 502 I HA 0.000 4.170 4.170 0.000 0.000 0.288 502 I CA 0.000 61.340 61.300 0.066 0.000 1.566 502 I CB 0.000 38.045 38.000 0.074 0.000 1.214 502 I HN 0.000 nan 8.210 nan 0.000 0.494