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 1do0_1_E DATA FIRST_RESID 2 DATA SEQUENCE SEMTPREIVS ELDKHIIGQD NAKRSVAIAL RNRWRRMQLN EELRHEVTPK DATA SEQUENCE NILMIGPTGV GKTEIARRLA KLANAPFIKV EATKFTEVGY VGKEVDSIIR DATA SEQUENCE DLTDAAVKMV RVQAIEKNRY RAEELAEERI LDVLIPPAKN NWGQTEQQQE DATA SEQUENCE PSAARQAFRK KLREGQLDDK EIEIDXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XARKLKIKDA MKLLIEEEAA KLVNPEELKQ DAIDAVEQHG DATA SEQUENCE IVFIDEIDKI CKRGESSGPD VSREGVQRDL LPLVEGCTVS TKHGMVKTDH DATA SEQUENCE ILFIASGAFQ IAKPSDLIPE LQGRLPIRVE LQALTTSDFE RILTEPNASI DATA SEQUENCE TVQYKALMAT EGVNIEFTDS GIKRIAEAAW QVNESTENIG ARRLHTVLER DATA SEQUENCE LMEEISYDAS DLSGQNITID ADYVSKHLDA LVADEDLSRF IL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.578 174.600 -0.037 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.028 0.000 1.107 2 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 3 E N 3.564 123.731 120.200 -0.055 0.000 1.941 3 E HA 0.332 4.682 4.350 -0.000 0.000 0.275 3 E C 0.064 176.517 176.600 -0.245 0.000 1.113 3 E CA 0.118 56.444 56.400 -0.123 0.000 0.878 3 E CB 0.036 29.651 29.700 -0.141 0.000 1.070 3 E HN 0.664 nan 8.360 nan 0.000 0.399 4 M N -0.108 119.390 119.600 -0.170 0.000 2.573 4 M HA 0.478 4.958 4.480 -0.000 0.000 0.309 4 M C 0.623 176.812 176.300 -0.184 0.000 1.202 4 M CA -1.004 54.191 55.300 -0.175 0.000 0.975 4 M CB 1.068 33.609 32.600 -0.099 0.000 1.600 4 M HN 0.128 nan 8.290 nan 0.000 0.479 5 T N -1.650 112.799 114.554 -0.175 0.000 2.868 5 T HA 0.320 4.670 4.350 -0.000 0.000 0.292 5 T C -2.134 172.529 174.700 -0.063 0.000 1.028 5 T CA -1.195 60.822 62.100 -0.137 0.000 1.059 5 T CB 0.735 69.528 68.868 -0.124 0.000 0.991 5 T HN 0.492 nan 8.240 nan 0.000 0.531 6 P HA -0.141 nan 4.420 nan 0.000 0.213 6 P C 1.769 179.066 177.300 -0.006 0.000 1.176 6 P CA 1.291 64.390 63.100 -0.001 0.000 0.919 6 P CB -0.015 31.694 31.700 0.015 0.000 0.791 7 R N -0.010 120.483 120.500 -0.011 0.000 2.119 7 R HA -0.219 4.121 4.340 -0.000 0.000 0.246 7 R C 2.208 178.498 176.300 -0.015 0.000 1.146 7 R CA 1.985 58.079 56.100 -0.010 0.000 0.962 7 R CB -0.442 29.850 30.300 -0.013 0.000 0.863 7 R HN 0.319 nan 8.270 nan 0.000 0.442 8 E N 0.076 120.259 120.200 -0.028 0.000 2.051 8 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 8 E C 2.138 178.726 176.600 -0.019 0.000 0.991 8 E CA 1.417 57.798 56.400 -0.030 0.000 0.799 8 E CB -0.234 29.437 29.700 -0.049 0.000 0.748 8 E HN 0.416 nan 8.360 nan 0.000 0.449 9 I N 1.314 121.874 120.570 -0.017 0.000 2.194 9 I HA -0.270 3.900 4.170 -0.000 0.000 0.246 9 I C 2.416 178.538 176.117 0.008 0.000 1.093 9 I CA 0.980 62.278 61.300 -0.003 0.000 1.355 9 I CB -0.320 37.682 38.000 0.004 0.000 1.046 9 I HN -0.011 nan 8.210 nan 0.000 0.413 10 V N 0.086 120.005 119.914 0.008 0.000 2.626 10 V HA -0.222 3.898 4.120 -0.000 0.000 0.252 10 V C 2.441 178.540 176.094 0.009 0.000 1.067 10 V CA 1.874 64.182 62.300 0.013 0.000 1.081 10 V CB -0.381 31.450 31.823 0.013 0.000 0.686 10 V HN 0.379 nan 8.190 nan 0.000 0.468 11 S N -0.562 115.138 115.700 0.000 0.000 2.402 11 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 11 S C 1.962 176.559 174.600 -0.007 0.000 1.021 11 S CA 1.020 59.215 58.200 -0.007 0.000 0.974 11 S CB -0.173 63.018 63.200 -0.014 0.000 0.800 11 S HN 0.578 nan 8.310 nan 0.000 0.484 12 E N 1.182 121.387 120.200 0.008 0.000 2.028 12 E HA 0.020 4.370 4.350 -0.000 0.000 0.190 12 E C 2.077 178.718 176.600 0.068 0.000 0.984 12 E CA 0.505 56.924 56.400 0.030 0.000 0.800 12 E CB -0.614 29.114 29.700 0.046 0.000 0.758 12 E HN 0.260 nan 8.360 nan 0.000 0.448 13 L N 2.028 123.291 121.223 0.066 0.000 2.089 13 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 13 L C 1.722 178.626 176.870 0.057 0.000 1.079 13 L CA 1.704 56.590 54.840 0.078 0.000 0.758 13 L CB -0.963 41.123 42.059 0.045 0.000 0.891 13 L HN 0.052 nan 8.230 nan 0.000 0.433 14 D N -0.570 119.841 120.400 0.018 0.000 2.218 14 D HA -0.163 4.476 4.640 -0.000 0.000 0.204 14 D C 2.052 178.324 176.300 -0.047 0.000 0.976 14 D CA 0.885 54.882 54.000 -0.005 0.000 0.853 14 D CB 0.014 40.807 40.800 -0.012 0.000 0.939 14 D HN 0.375 nan 8.370 nan 0.000 0.481 15 K N -0.587 119.748 120.400 -0.109 0.000 2.432 15 K HA -0.004 4.316 4.320 -0.000 0.000 0.196 15 K C 1.058 177.397 176.600 -0.436 0.000 1.038 15 K CA 0.646 56.768 56.287 -0.275 0.000 0.986 15 K CB 0.289 32.560 32.500 -0.382 0.000 0.782 15 K HN 0.338 nan 8.250 nan 0.000 0.485 16 H N -1.010 118.052 119.070 -0.014 0.000 3.241 16 H HA 0.300 4.856 4.556 -0.000 0.000 0.260 16 H C -0.005 175.318 175.328 -0.008 0.000 1.084 16 H CA 0.106 56.144 56.048 -0.016 0.000 1.203 16 H CB 1.185 30.928 29.762 -0.031 0.000 1.524 16 H HN -0.025 nan 8.280 nan 0.000 0.521 17 I N 1.709 122.333 120.570 0.091 0.000 2.512 17 I HA 0.179 4.349 4.170 -0.000 0.000 0.287 17 I C -0.896 175.250 176.117 0.048 0.000 1.069 17 I CA -0.986 60.356 61.300 0.069 0.000 1.056 17 I CB 2.666 40.705 38.000 0.065 0.000 1.229 17 I HN -0.209 nan 8.210 nan 0.000 0.429 18 I N 5.515 126.116 120.570 0.052 0.000 2.396 18 I HA 0.552 4.722 4.170 -0.000 0.000 0.289 18 I C 0.996 177.144 176.117 0.052 0.000 1.056 18 I CA 1.004 62.333 61.300 0.048 0.000 1.365 18 I CB 0.382 38.418 38.000 0.060 0.000 1.407 18 I HN 0.870 nan 8.210 nan 0.000 0.509 19 G N 5.419 114.242 108.800 0.039 0.000 2.553 19 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.242 19 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.242 19 G C -0.289 174.637 174.900 0.043 0.000 1.277 19 G CA -0.317 44.806 45.100 0.039 0.000 0.910 19 G HN 0.654 nan 8.290 nan 0.000 0.576 20 Q N -1.152 118.676 119.800 0.046 0.000 2.439 20 Q HA -0.223 4.117 4.340 -0.000 0.000 0.325 20 Q C 0.779 176.806 176.000 0.045 0.000 1.372 20 Q CA 1.789 57.622 55.803 0.051 0.000 0.909 20 Q CB -1.787 26.988 28.738 0.062 0.000 1.167 20 Q HN 0.973 nan 8.270 nan 0.000 0.418 21 D N 0.303 120.725 120.400 0.037 0.000 2.144 21 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 21 D C 1.419 177.740 176.300 0.034 0.000 0.978 21 D CA 1.793 55.812 54.000 0.032 0.000 0.833 21 D CB 0.118 40.932 40.800 0.024 0.000 0.961 21 D HN 0.574 nan 8.370 nan 0.000 0.470 22 N N -0.439 118.283 118.700 0.036 0.000 2.084 22 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 22 N C 1.818 177.356 175.510 0.046 0.000 1.030 22 N CA 0.963 54.036 53.050 0.037 0.000 0.849 22 N CB -0.127 38.382 38.487 0.036 0.000 1.012 22 N HN 0.182 nan 8.380 nan 0.000 0.423 23 A N 1.649 124.501 122.820 0.054 0.000 1.902 23 A HA -0.161 4.158 4.320 -0.000 0.000 0.217 23 A C 2.016 179.638 177.584 0.064 0.000 1.181 23 A CA 1.335 53.413 52.037 0.068 0.000 0.623 23 A CB -0.304 18.744 19.000 0.080 0.000 0.818 23 A HN 0.189 nan 8.150 nan 0.000 0.443 24 K N -0.587 119.845 120.400 0.053 0.000 2.057 24 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 24 K C 2.327 178.953 176.600 0.043 0.000 1.049 24 K CA 1.631 57.946 56.287 0.046 0.000 0.931 24 K CB -0.196 32.327 32.500 0.038 0.000 0.714 24 K HN 0.424 nan 8.250 nan 0.000 0.440 25 R N 0.391 120.915 120.500 0.040 0.000 2.066 25 R HA -0.051 4.288 4.340 -0.000 0.000 0.232 25 R C 2.559 178.885 176.300 0.044 0.000 1.131 25 R CA 1.398 57.520 56.100 0.037 0.000 0.955 25 R CB -0.315 30.004 30.300 0.032 0.000 0.851 25 R HN 0.055 nan 8.270 nan 0.000 0.432 26 S N 0.573 116.303 115.700 0.049 0.000 2.369 26 S HA -0.185 4.284 4.470 -0.000 0.000 0.225 26 S C 2.031 176.670 174.600 0.065 0.000 1.043 26 S CA 1.616 59.850 58.200 0.056 0.000 1.074 26 S CB -0.476 62.761 63.200 0.061 0.000 0.962 26 S HN 0.153 nan 8.310 nan 0.000 0.433 27 V N 1.490 121.446 119.914 0.071 0.000 2.407 27 V HA -0.169 3.950 4.120 -0.000 0.000 0.248 27 V C 2.397 178.531 176.094 0.067 0.000 1.055 27 V CA 1.732 64.079 62.300 0.078 0.000 1.049 27 V CB -0.902 30.970 31.823 0.082 0.000 0.662 27 V HN 0.515 nan 8.190 nan 0.000 0.455 28 A N -0.217 122.636 122.820 0.055 0.000 1.873 28 A HA -0.153 4.166 4.320 -0.000 0.000 0.215 28 A C 2.114 179.731 177.584 0.056 0.000 1.186 28 A CA 1.955 54.021 52.037 0.047 0.000 0.616 28 A CB -0.570 18.451 19.000 0.035 0.000 0.823 28 A HN 0.527 nan 8.150 nan 0.000 0.442 29 I N -0.109 120.495 120.570 0.056 0.000 2.194 29 I HA -0.360 3.810 4.170 -0.000 0.000 0.246 29 I C 2.996 179.157 176.117 0.074 0.000 1.093 29 I CA 1.169 62.506 61.300 0.062 0.000 1.355 29 I CB -0.418 37.615 38.000 0.055 0.000 1.046 29 I HN 0.400 nan 8.210 nan 0.000 0.413 30 A N 0.948 123.812 122.820 0.074 0.000 1.841 30 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 30 A C 2.385 180.023 177.584 0.090 0.000 1.199 30 A CA 1.539 53.625 52.037 0.082 0.000 0.621 30 A CB -1.082 17.970 19.000 0.087 0.000 0.835 30 A HN 0.419 nan 8.150 nan 0.000 0.445 31 L N -0.871 120.405 121.223 0.089 0.000 2.021 31 L HA -0.261 4.079 4.340 -0.000 0.000 0.215 31 L C 2.717 179.657 176.870 0.117 0.000 1.074 31 L CA 2.697 57.595 54.840 0.096 0.000 0.760 31 L CB -0.619 41.486 42.059 0.077 0.000 0.889 31 L HN 0.495 nan 8.230 nan 0.000 0.433 32 R N 0.766 121.333 120.500 0.112 0.000 2.091 32 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 32 R C 1.794 178.226 176.300 0.219 0.000 1.136 32 R CA 2.220 58.414 56.100 0.157 0.000 0.959 32 R CB -0.735 29.638 30.300 0.123 0.000 0.856 32 R HN 0.480 nan 8.270 nan 0.000 0.437 33 N N -0.058 118.728 118.700 0.144 0.000 2.272 33 N HA -0.124 4.616 4.740 -0.000 0.000 0.185 33 N C 1.498 177.053 175.510 0.075 0.000 1.014 33 N CA 1.382 54.494 53.050 0.104 0.000 0.870 33 N CB -0.076 38.450 38.487 0.065 0.000 0.975 33 N HN 0.213 nan 8.380 nan 0.000 0.433 34 R N -0.665 119.892 120.500 0.095 0.000 2.105 34 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 34 R C 1.779 178.120 176.300 0.068 0.000 1.135 34 R CA 1.282 57.411 56.100 0.047 0.000 0.967 34 R CB -0.444 29.900 30.300 0.072 0.000 0.861 34 R HN 0.485 nan 8.270 nan 0.000 0.442 35 W N 2.039 123.335 121.300 -0.006 0.000 2.418 35 W HA -0.047 4.613 4.660 -0.000 0.000 0.292 35 W C 1.976 178.483 176.519 -0.018 0.000 1.213 35 W CA 0.860 58.202 57.345 -0.005 0.000 1.283 35 W CB -0.010 29.455 29.460 0.008 0.000 1.119 35 W HN -0.151 nan 8.180 nan 0.000 0.542 36 R N 0.131 120.520 120.500 -0.184 0.000 2.073 36 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 36 R C 2.393 178.463 176.300 -0.384 0.000 1.134 36 R CA 1.803 57.649 56.100 -0.422 0.000 0.952 36 R CB -0.800 29.452 30.300 -0.081 0.000 0.850 36 R HN 0.181 nan 8.270 nan 0.000 0.433 37 R N 0.544 120.904 120.500 -0.233 0.000 2.117 37 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 37 R C 1.978 178.117 176.300 -0.268 0.000 1.143 37 R CA 1.619 57.589 56.100 -0.217 0.000 0.968 37 R CB -0.034 30.156 30.300 -0.183 0.000 0.863 37 R HN 0.096 nan 8.270 nan 0.000 0.444 38 M N 0.704 120.120 119.600 -0.307 0.000 2.229 38 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 38 M C 1.931 178.058 176.300 -0.289 0.000 1.063 38 M CA 1.417 56.549 55.300 -0.279 0.000 1.114 38 M CB -0.743 31.715 32.600 -0.235 0.000 1.387 38 M HN 0.177 nan 8.290 nan 0.000 0.420 39 Q N 0.449 120.006 119.800 -0.405 0.000 2.291 39 Q HA 0.102 4.442 4.340 -0.000 0.000 0.205 39 Q C 1.052 176.918 176.000 -0.223 0.000 0.970 39 Q CA 0.491 56.086 55.803 -0.346 0.000 0.876 39 Q CB -0.477 27.966 28.738 -0.492 0.000 0.935 39 Q HN 0.480 nan 8.270 nan 0.000 0.455 40 L N 2.278 123.375 121.223 -0.211 0.000 2.472 40 L HA 0.078 4.418 4.340 -0.000 0.000 0.260 40 L C 1.142 177.942 176.870 -0.117 0.000 1.209 40 L CA -0.536 54.216 54.840 -0.146 0.000 0.817 40 L CB 0.056 42.032 42.059 -0.139 0.000 1.106 40 L HN 0.212 nan 8.230 nan 0.000 0.479 41 N N -0.259 118.393 118.700 -0.080 0.000 2.294 41 N HA -0.028 4.712 4.740 -0.000 0.000 0.248 41 N C 0.627 176.109 175.510 -0.047 0.000 1.300 41 N CA -0.691 52.327 53.050 -0.054 0.000 0.925 41 N CB 0.906 39.373 38.487 -0.033 0.000 1.188 41 N HN 0.740 nan 8.380 nan 0.000 0.512 42 E N 0.266 120.458 120.200 -0.012 0.000 2.033 42 E HA -0.338 4.012 4.350 -0.000 0.000 0.199 42 E C 1.577 178.213 176.600 0.059 0.000 1.011 42 E CA 1.592 58.013 56.400 0.035 0.000 0.815 42 E CB -0.206 29.530 29.700 0.060 0.000 0.755 42 E HN 0.752 nan 8.360 nan 0.000 0.451 43 E N 0.281 120.506 120.200 0.041 0.000 2.045 43 E HA -0.256 4.094 4.350 -0.000 0.000 0.212 43 E C 2.416 179.039 176.600 0.038 0.000 1.039 43 E CA 2.042 58.469 56.400 0.045 0.000 0.860 43 E CB -0.290 29.422 29.700 0.020 0.000 0.776 43 E HN 0.315 nan 8.360 nan 0.000 0.467 44 L N 0.064 121.287 121.223 -0.000 0.000 2.043 44 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 44 L C 2.957 179.796 176.870 -0.052 0.000 1.075 44 L CA 1.389 56.216 54.840 -0.021 0.000 0.752 44 L CB -0.524 41.511 42.059 -0.040 0.000 0.891 44 L HN 0.209 nan 8.230 nan 0.000 0.432 45 R N -0.828 119.608 120.500 -0.107 0.000 2.139 45 R HA -0.164 4.176 4.340 -0.000 0.000 0.243 45 R C 1.484 177.603 176.300 -0.302 0.000 1.145 45 R CA 1.141 57.098 56.100 -0.238 0.000 0.976 45 R CB -0.071 30.041 30.300 -0.314 0.000 0.866 45 R HN 0.459 nan 8.270 nan 0.000 0.449 46 H N -1.051 118.027 119.070 0.012 0.000 2.505 46 H HA 0.151 4.707 4.556 -0.000 0.000 0.289 46 H C 0.770 176.133 175.328 0.057 0.000 1.052 46 H CA 0.115 56.202 56.048 0.065 0.000 1.156 46 H CB 0.979 30.773 29.762 0.054 0.000 1.507 46 H HN 0.177 nan 8.280 nan 0.000 0.548 47 E N 0.264 120.525 120.200 0.101 0.000 2.391 47 E HA 0.092 4.442 4.350 -0.000 0.000 0.206 47 E C 0.466 177.098 176.600 0.054 0.000 0.851 47 E CA 0.168 56.610 56.400 0.070 0.000 1.059 47 E CB 0.956 30.680 29.700 0.040 0.000 1.065 47 E HN 0.003 nan 8.360 nan 0.000 0.512 48 V N 4.162 124.094 119.914 0.031 0.000 2.403 48 V HA 0.045 4.165 4.120 -0.000 0.000 0.265 48 V C 0.778 176.913 176.094 0.067 0.000 1.034 48 V CA 0.214 62.527 62.300 0.022 0.000 1.036 48 V CB -0.061 31.747 31.823 -0.025 0.000 1.032 48 V HN 0.204 nan 8.190 nan 0.000 0.478 49 T N 4.308 118.909 114.554 0.079 0.000 2.912 49 T HA 0.592 4.942 4.350 -0.000 0.000 0.280 49 T C -2.616 172.147 174.700 0.105 0.000 0.989 49 T CA -2.221 59.949 62.100 0.117 0.000 0.995 49 T CB 1.601 70.516 68.868 0.079 0.000 1.077 49 T HN 0.388 nan 8.240 nan 0.000 0.531 50 P HA 0.254 nan 4.420 nan 0.000 0.271 50 P C -0.535 176.828 177.300 0.104 0.000 1.216 50 P CA -0.510 62.664 63.100 0.123 0.000 0.771 50 P CB 0.312 32.110 31.700 0.163 0.000 0.864 51 K N 3.228 123.682 120.400 0.089 0.000 2.187 51 K HA 0.193 4.513 4.320 -0.000 0.000 0.242 51 K C -0.055 176.601 176.600 0.093 0.000 1.179 51 K CA -0.214 56.119 56.287 0.076 0.000 1.097 51 K CB -0.855 31.682 32.500 0.063 0.000 1.634 51 K HN 0.369 nan 8.250 nan 0.000 0.335 52 N N 2.289 121.055 118.700 0.111 0.000 2.395 52 N HA 0.012 4.752 4.740 -0.000 0.000 0.246 52 N C 0.415 175.985 175.510 0.101 0.000 1.246 52 N CA 0.276 53.411 53.050 0.141 0.000 0.879 52 N CB 0.759 39.347 38.487 0.168 0.000 1.098 52 N HN 0.238 nan 8.380 nan 0.000 0.444 53 I N 1.092 121.728 120.570 0.109 0.000 2.707 53 I HA 0.378 4.547 4.170 -0.000 0.000 0.309 53 I C 0.068 176.226 176.117 0.068 0.000 1.001 53 I CA -0.850 60.500 61.300 0.084 0.000 1.129 53 I CB 1.171 39.230 38.000 0.099 0.000 1.308 53 I HN 0.280 nan 8.210 nan 0.000 0.466 54 L N 5.218 126.472 121.223 0.052 0.000 2.415 54 L HA 0.512 4.852 4.340 -0.000 0.000 0.268 54 L C -0.958 175.952 176.870 0.068 0.000 0.984 54 L CA -0.261 54.609 54.840 0.049 0.000 0.853 54 L CB 1.225 43.290 42.059 0.010 0.000 1.215 54 L HN 0.499 nan 8.230 nan 0.000 0.419 55 M N 5.827 125.489 119.600 0.104 0.000 2.233 55 M HA 0.510 4.990 4.480 -0.000 0.000 0.355 55 M C -0.805 175.604 176.300 0.181 0.000 1.191 55 M CA -0.149 55.231 55.300 0.133 0.000 1.101 55 M CB 1.449 34.152 32.600 0.171 0.000 1.592 55 M HN 0.469 nan 8.290 nan 0.000 0.461 56 I N 2.038 122.702 120.570 0.157 0.000 2.436 56 I HA 0.855 5.024 4.170 -0.000 0.000 0.289 56 I C 0.223 176.435 176.117 0.158 0.000 1.010 56 I CA -0.484 60.942 61.300 0.210 0.000 1.098 56 I CB 1.927 40.010 38.000 0.137 0.000 1.266 56 I HN 0.855 nan 8.210 nan 0.000 0.434 57 G N 5.786 114.684 108.800 0.163 0.000 2.349 57 G HA2 0.478 4.438 3.960 -0.000 0.000 0.294 57 G HA3 0.478 4.438 3.960 -0.000 0.000 0.294 57 G C -3.420 171.542 174.900 0.102 0.000 1.380 57 G CA -0.702 44.469 45.100 0.118 0.000 0.811 57 G HN 0.269 nan 8.290 nan 0.000 0.519 58 P HA 0.412 nan 4.420 nan 0.000 0.279 58 P C 0.272 177.611 177.300 0.065 0.000 1.282 58 P CA -0.195 62.941 63.100 0.060 0.000 0.788 58 P CB 0.411 32.138 31.700 0.045 0.000 1.139 59 T N -0.971 113.612 114.554 0.049 0.000 2.860 59 T HA 0.376 4.726 4.350 -0.000 0.000 0.299 59 T C 0.972 175.709 174.700 0.062 0.000 1.045 59 T CA 0.466 62.597 62.100 0.052 0.000 1.071 59 T CB -0.433 68.454 68.868 0.032 0.000 0.985 59 T HN 0.824 nan 8.240 nan 0.000 0.537 60 G N 0.288 109.125 108.800 0.063 0.000 2.395 60 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.300 60 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.300 60 G C 0.571 175.531 174.900 0.100 0.000 0.998 60 G CA 0.490 45.631 45.100 0.067 0.000 1.046 60 G HN 1.411 nan 8.290 nan 0.000 0.513 61 V N -4.277 115.695 119.914 0.097 0.000 3.548 61 V HA 0.718 4.838 4.120 -0.000 0.000 0.279 61 V C 1.647 177.798 176.094 0.095 0.000 1.446 61 V CA 1.247 63.610 62.300 0.106 0.000 1.023 61 V CB 0.396 32.277 31.823 0.097 0.000 0.820 61 V HN 2.068 nan 8.190 nan 0.000 0.438 62 G N 0.675 109.525 108.800 0.083 0.000 2.260 62 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.179 62 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.179 62 G C 0.778 175.718 174.900 0.067 0.000 1.002 62 G CA 0.249 45.389 45.100 0.066 0.000 0.677 62 G HN 0.401 nan 8.290 nan 0.000 0.486 63 K N 0.317 120.782 120.400 0.110 0.000 2.032 63 K HA -0.185 4.135 4.320 -0.000 0.000 0.218 63 K C 2.492 179.162 176.600 0.115 0.000 1.054 63 K CA 2.320 58.716 56.287 0.182 0.000 0.941 63 K CB -0.612 32.054 32.500 0.277 0.000 0.720 63 K HN 0.402 nan 8.250 nan 0.000 0.449 64 T N 0.755 115.265 114.554 -0.074 0.000 2.777 64 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 64 T C 1.824 176.341 174.700 -0.304 0.000 1.040 64 T CA 1.466 63.268 62.100 -0.496 0.000 1.141 64 T CB -0.229 68.356 68.868 -0.473 0.000 0.868 64 T HN 0.263 nan 8.240 nan 0.000 0.444 65 E N 1.446 121.553 120.200 -0.154 0.000 2.070 65 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 65 E C 1.975 178.494 176.600 -0.134 0.000 1.004 65 E CA 1.224 57.546 56.400 -0.130 0.000 0.805 65 E CB -0.657 29.015 29.700 -0.046 0.000 0.744 65 E HN 0.545 nan 8.360 nan 0.000 0.451 66 I N 0.160 120.694 120.570 -0.060 0.000 2.208 66 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 66 I C 2.354 178.432 176.117 -0.065 0.000 1.097 66 I CA 1.152 62.436 61.300 -0.026 0.000 1.363 66 I CB -0.460 37.566 38.000 0.043 0.000 1.051 66 I HN 0.205 nan 8.210 nan 0.000 0.413 67 A N 0.727 123.500 122.820 -0.078 0.000 1.898 67 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 67 A C 2.432 179.724 177.584 -0.487 0.000 1.181 67 A CA 1.252 53.243 52.037 -0.076 0.000 0.620 67 A CB -0.470 18.640 19.000 0.184 0.000 0.819 67 A HN 0.286 nan 8.150 nan 0.000 0.442 68 R N -0.845 119.223 120.500 -0.719 0.000 2.070 68 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 68 R C 2.332 178.313 176.300 -0.530 0.000 1.138 68 R CA 1.313 56.844 56.100 -0.948 0.000 0.936 68 R CB -0.366 29.559 30.300 -0.624 0.000 0.839 68 R HN 0.334 nan 8.270 nan 0.000 0.429 69 R N 1.046 121.335 120.500 -0.352 0.000 2.139 69 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 69 R C 2.186 178.378 176.300 -0.181 0.000 1.145 69 R CA 0.828 56.769 56.100 -0.265 0.000 0.976 69 R CB -0.838 29.348 30.300 -0.191 0.000 0.866 69 R HN 0.312 nan 8.270 nan 0.000 0.449 70 L N 0.405 121.532 121.223 -0.161 0.000 2.109 70 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 70 L C 1.975 178.799 176.870 -0.077 0.000 1.086 70 L CA 1.689 56.484 54.840 -0.076 0.000 0.760 70 L CB -0.663 41.383 42.059 -0.022 0.000 0.910 70 L HN 0.111 nan 8.230 nan 0.000 0.437 71 A N -0.095 122.632 122.820 -0.154 0.000 1.929 71 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 71 A C 2.175 179.706 177.584 -0.088 0.000 1.176 71 A CA 1.369 53.353 52.037 -0.089 0.000 0.628 71 A CB -0.240 18.675 19.000 -0.142 0.000 0.816 71 A HN 0.315 nan 8.150 nan 0.000 0.444 72 K N 0.015 120.325 120.400 -0.149 0.000 1.984 72 K HA -0.095 4.224 4.320 -0.000 0.000 0.209 72 K C 1.802 178.355 176.600 -0.078 0.000 1.046 72 K CA 1.577 57.792 56.287 -0.119 0.000 0.934 72 K CB -0.710 31.690 32.500 -0.168 0.000 0.717 72 K HN 0.535 nan 8.250 nan 0.000 0.438 73 L N -1.295 119.886 121.223 -0.070 0.000 2.261 73 L HA 0.011 4.351 4.340 -0.000 0.000 0.216 73 L C 1.812 178.663 176.870 -0.032 0.000 1.114 73 L CA 2.037 56.854 54.840 -0.038 0.000 0.777 73 L CB -1.012 41.036 42.059 -0.019 0.000 0.910 73 L HN 0.036 nan 8.230 nan 0.000 0.440 74 A N -0.572 122.230 122.820 -0.029 0.000 2.218 74 A HA 0.008 4.328 4.320 -0.000 0.000 0.209 74 A C 1.098 178.655 177.584 -0.046 0.000 1.168 74 A CA 0.323 52.351 52.037 -0.015 0.000 0.804 74 A CB -0.681 18.334 19.000 0.025 0.000 0.834 74 A HN 0.665 nan 8.150 nan 0.000 0.482 75 N N -0.669 118.001 118.700 -0.049 0.000 2.650 75 N HA -0.180 4.560 4.740 -0.000 0.000 0.272 75 N C -0.250 175.226 175.510 -0.057 0.000 1.058 75 N CA 0.446 53.462 53.050 -0.057 0.000 0.765 75 N CB -0.854 37.589 38.487 -0.073 0.000 0.902 75 N HN 0.687 nan 8.380 nan 0.000 0.551 76 A N 2.209 125.026 122.820 -0.004 0.000 2.393 76 A HA 0.644 4.963 4.320 -0.000 0.000 0.306 76 A C -2.467 175.172 177.584 0.091 0.000 1.050 76 A CA -1.214 50.852 52.037 0.049 0.000 0.724 76 A CB 1.546 20.610 19.000 0.105 0.000 1.248 76 A HN 0.220 nan 8.150 nan 0.000 0.424 77 P HA 0.133 nan 4.420 nan 0.000 0.260 77 P C -0.893 176.491 177.300 0.141 0.000 1.185 77 P CA 0.681 63.833 63.100 0.086 0.000 0.763 77 P CB 0.087 31.814 31.700 0.044 0.000 0.776 78 F N 5.150 125.093 119.950 -0.011 0.000 2.557 78 F HA 0.763 5.290 4.527 -0.000 0.000 0.336 78 F C -0.534 175.268 175.800 0.005 0.000 1.058 78 F CA -1.296 56.700 58.000 -0.007 0.000 0.988 78 F CB 1.469 40.461 39.000 -0.014 0.000 1.275 78 F HN 0.245 nan 8.300 nan 0.000 0.488 79 I N 3.056 122.863 120.570 -1.273 0.000 2.739 79 I HA 0.193 4.363 4.170 -0.000 0.000 0.287 79 I C -1.748 173.906 176.117 -0.772 0.000 1.558 79 I CA -0.500 60.367 61.300 -0.721 0.000 1.050 79 I CB 1.407 39.235 38.000 -0.288 0.000 1.432 79 I HN 0.666 nan 8.210 nan 0.000 0.432 80 K N 6.442 126.635 120.400 -0.346 0.000 2.110 80 K HA 0.851 5.171 4.320 -0.000 0.000 0.263 80 K C -1.664 174.967 176.600 0.052 0.000 0.975 80 K CA -0.520 55.754 56.287 -0.022 0.000 0.895 80 K CB 1.545 34.097 32.500 0.087 0.000 1.060 80 K HN 0.394 nan 8.250 nan 0.000 0.448 81 V N 2.414 122.419 119.914 0.151 0.000 2.711 81 V HA 0.249 4.369 4.120 -0.000 0.000 0.304 81 V C -0.998 175.182 176.094 0.143 0.000 1.097 81 V CA -1.150 61.230 62.300 0.134 0.000 0.906 81 V CB 1.610 33.541 31.823 0.180 0.000 1.015 81 V HN 0.743 nan 8.190 nan 0.000 0.427 82 E N 2.404 122.650 120.200 0.077 0.000 2.223 82 E HA 0.431 4.781 4.350 -0.000 0.000 0.282 82 E C 1.138 177.775 176.600 0.062 0.000 1.046 82 E CA 0.255 56.686 56.400 0.051 0.000 0.857 82 E CB 1.949 31.644 29.700 -0.008 0.000 1.055 82 E HN 0.828 nan 8.360 nan 0.000 0.409 83 A N 3.387 126.264 122.820 0.096 0.000 1.908 83 A HA -0.206 4.113 4.320 -0.000 0.000 0.218 83 A C 2.016 179.689 177.584 0.148 0.000 1.181 83 A CA 2.279 54.412 52.037 0.160 0.000 0.627 83 A CB -0.757 18.293 19.000 0.083 0.000 0.818 83 A HN 0.659 nan 8.150 nan 0.000 0.445 84 T N -1.787 112.787 114.554 0.033 0.000 3.051 84 T HA -0.082 4.268 4.350 -0.000 0.000 0.269 84 T C 1.578 176.218 174.700 -0.100 0.000 1.127 84 T CA 1.303 63.401 62.100 -0.003 0.000 1.107 84 T CB -0.312 68.549 68.868 -0.010 0.000 0.898 84 T HN 0.570 nan 8.240 nan 0.000 0.517 85 K N 0.419 120.645 120.400 -0.290 0.000 2.442 85 K HA -0.082 4.238 4.320 -0.000 0.000 0.199 85 K C 0.532 176.693 176.600 -0.732 0.000 1.044 85 K CA 1.026 56.963 56.287 -0.584 0.000 0.941 85 K CB -0.230 31.738 32.500 -0.886 0.000 0.759 85 K HN 0.525 nan 8.250 nan 0.000 0.472 86 F N 0.224 120.187 119.950 0.021 0.000 2.706 86 F HA 0.079 4.606 4.527 -0.000 0.000 0.308 86 F C 0.914 176.716 175.800 0.003 0.000 1.095 86 F CA -0.331 57.678 58.000 0.015 0.000 1.244 86 F CB -0.175 38.828 39.000 0.005 0.000 1.063 86 F HN -0.145 nan 8.300 nan 0.000 0.582 87 T N 1.055 115.669 114.554 0.101 0.000 2.855 87 T HA 0.371 4.721 4.350 -0.000 0.000 0.314 87 T C -0.258 174.424 174.700 -0.031 0.000 1.077 87 T CA -0.277 61.842 62.100 0.031 0.000 1.095 87 T CB 0.860 69.735 68.868 0.011 0.000 0.987 87 T HN 0.443 nan 8.240 nan 0.000 0.546 88 E N 0.135 120.224 120.200 -0.185 0.000 3.097 88 E HA 0.208 4.558 4.350 -0.000 0.000 0.325 88 E C -0.327 175.951 176.600 -0.537 0.000 1.093 88 E CA -0.816 55.268 56.400 -0.527 0.000 0.893 88 E CB 0.775 30.330 29.700 -0.242 0.000 1.209 88 E HN 0.656 nan 8.360 nan 0.000 0.462 89 V N -0.516 118.881 119.914 -0.862 0.000 3.542 89 V HA 0.620 4.740 4.120 -0.000 0.000 0.296 89 V C 0.804 176.726 176.094 -0.288 0.000 1.364 89 V CA 1.068 63.114 62.300 -0.423 0.000 1.118 89 V CB 0.112 31.758 31.823 -0.295 0.000 0.972 89 V HN 1.094 nan 8.190 nan 0.000 0.430 90 G N -1.003 107.595 108.800 -0.335 0.000 3.442 90 G HA2 0.065 4.025 3.960 -0.000 0.000 0.224 90 G HA3 0.065 4.025 3.960 -0.000 0.000 0.224 90 G C -0.338 174.697 174.900 0.226 0.000 0.988 90 G CA -0.071 45.016 45.100 -0.021 0.000 1.133 90 G HN 0.459 nan 8.290 nan 0.000 0.659 91 Y N -1.252 119.052 120.300 0.007 0.000 3.181 91 Y HA 0.668 5.218 4.550 -0.000 0.000 0.405 91 Y C 1.627 177.532 175.900 0.009 0.000 1.202 91 Y CA -0.573 57.530 58.100 0.005 0.000 1.278 91 Y CB 0.422 38.883 38.460 0.001 0.000 1.305 91 Y HN -0.052 nan 8.280 nan 0.000 0.884 92 V N -1.464 118.585 119.914 0.225 0.000 4.491 92 V HA 0.508 4.628 4.120 -0.000 0.000 0.164 92 V C 0.236 176.396 176.094 0.110 0.000 1.146 92 V CA 0.171 62.543 62.300 0.120 0.000 1.322 92 V CB 0.195 32.066 31.823 0.081 0.000 1.741 92 V HN 1.004 nan 8.190 nan 0.000 0.542 93 G N 0.932 109.790 108.800 0.097 0.000 2.796 93 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.571 93 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.571 93 G C -0.561 174.397 174.900 0.098 0.000 1.370 93 G CA 0.056 45.207 45.100 0.085 0.000 0.856 93 G HN 0.366 nan 8.290 nan 0.000 0.538 94 K N -0.426 120.056 120.400 0.136 0.000 2.583 94 K HA 0.561 4.881 4.320 -0.000 0.000 0.263 94 K C -0.433 176.335 176.600 0.280 0.000 1.038 94 K CA -0.712 55.685 56.287 0.183 0.000 1.031 94 K CB 0.891 33.494 32.500 0.172 0.000 1.399 94 K HN 0.454 nan 8.250 nan 0.000 0.531 95 E N 1.250 121.590 120.200 0.233 0.000 2.176 95 E HA 0.126 4.476 4.350 -0.000 0.000 0.267 95 E C 0.874 177.494 176.600 0.034 0.000 0.893 95 E CA -0.322 56.148 56.400 0.116 0.000 0.761 95 E CB 1.803 31.535 29.700 0.055 0.000 1.133 95 E HN 0.316 nan 8.360 nan 0.000 0.409 96 V N 3.844 123.592 119.914 -0.277 0.000 2.428 96 V HA -0.351 3.769 4.120 -0.000 0.000 0.255 96 V C 1.065 177.047 176.094 -0.188 0.000 1.080 96 V CA 2.402 64.377 62.300 -0.541 0.000 1.083 96 V CB -0.523 30.957 31.823 -0.571 0.000 0.665 96 V HN 0.595 nan 8.190 nan 0.000 0.461 97 D N 0.707 121.057 120.400 -0.083 0.000 2.182 97 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 97 D C 2.295 178.611 176.300 0.025 0.000 0.986 97 D CA 1.479 55.467 54.000 -0.020 0.000 0.847 97 D CB -0.435 40.362 40.800 -0.006 0.000 0.942 97 D HN 0.657 nan 8.370 nan 0.000 0.467 98 S N 0.699 116.434 115.700 0.058 0.000 2.392 98 S HA -0.247 4.222 4.470 -0.000 0.000 0.232 98 S C 2.061 176.717 174.600 0.093 0.000 1.041 98 S CA 0.772 59.028 58.200 0.094 0.000 1.026 98 S CB -0.830 62.461 63.200 0.152 0.000 0.845 98 S HN 0.348 nan 8.310 nan 0.000 0.465 99 I N 1.344 121.974 120.570 0.100 0.000 2.194 99 I HA -0.187 3.983 4.170 -0.000 0.000 0.246 99 I C 2.173 178.322 176.117 0.052 0.000 1.093 99 I CA 1.288 62.643 61.300 0.092 0.000 1.355 99 I CB -0.546 37.510 38.000 0.094 0.000 1.046 99 I HN 0.313 nan 8.210 nan 0.000 0.413 100 I N 0.236 120.835 120.570 0.049 0.000 2.406 100 I HA -0.139 4.031 4.170 -0.000 0.000 0.249 100 I C 2.630 178.772 176.117 0.042 0.000 1.122 100 I CA 1.166 62.491 61.300 0.041 0.000 1.431 100 I CB -1.319 36.708 38.000 0.045 0.000 1.087 100 I HN 0.244 nan 8.210 nan 0.000 0.424 101 R N 1.329 121.861 120.500 0.053 0.000 2.082 101 R HA -0.191 4.149 4.340 -0.000 0.000 0.234 101 R C 1.854 178.190 176.300 0.060 0.000 1.136 101 R CA 1.719 57.858 56.100 0.066 0.000 0.935 101 R CB -0.998 29.342 30.300 0.066 0.000 0.842 101 R HN 0.361 nan 8.270 nan 0.000 0.430 102 D N 1.208 121.638 120.400 0.050 0.000 2.103 102 D HA -0.178 4.462 4.640 -0.000 0.000 0.190 102 D C 1.958 178.266 176.300 0.012 0.000 0.997 102 D CA 0.772 54.792 54.000 0.035 0.000 0.833 102 D CB -0.533 40.287 40.800 0.034 0.000 0.961 102 D HN 0.064 nan 8.370 nan 0.000 0.447 103 L N 0.734 121.956 121.223 -0.001 0.000 2.043 103 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 103 L C 1.991 178.853 176.870 -0.013 0.000 1.075 103 L CA 1.757 56.583 54.840 -0.023 0.000 0.752 103 L CB -0.614 41.422 42.059 -0.038 0.000 0.891 103 L HN 0.153 nan 8.230 nan 0.000 0.432 104 T N -0.889 113.665 114.554 -0.001 0.000 2.708 104 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 104 T C 1.417 176.064 174.700 -0.088 0.000 1.037 104 T CA 1.348 63.435 62.100 -0.022 0.000 1.146 104 T CB -0.371 68.513 68.868 0.027 0.000 0.865 104 T HN 0.342 nan 8.240 nan 0.000 0.435 105 D N 1.701 122.077 120.400 -0.040 0.000 2.154 105 D HA -0.141 4.499 4.640 -0.000 0.000 0.190 105 D C 2.379 178.632 176.300 -0.079 0.000 1.003 105 D CA 1.616 55.582 54.000 -0.057 0.000 0.849 105 D CB -0.706 40.113 40.800 0.032 0.000 0.942 105 D HN 0.417 nan 8.370 nan 0.000 0.446 106 A N 0.655 123.454 122.820 -0.035 0.000 1.986 106 A HA -0.133 4.186 4.320 -0.000 0.000 0.220 106 A C 2.280 179.845 177.584 -0.031 0.000 1.171 106 A CA 2.561 54.587 52.037 -0.019 0.000 0.640 106 A CB -0.666 18.335 19.000 0.002 0.000 0.811 106 A HN 0.281 nan 8.150 nan 0.000 0.451 107 A N -0.729 122.059 122.820 -0.053 0.000 1.897 107 A HA 0.095 4.415 4.320 -0.000 0.000 0.215 107 A C 2.200 179.736 177.584 -0.080 0.000 1.181 107 A CA 1.532 53.540 52.037 -0.048 0.000 0.620 107 A CB -0.790 18.187 19.000 -0.039 0.000 0.821 107 A HN 0.395 nan 8.150 nan 0.000 0.443 108 V N 0.545 120.362 119.914 -0.162 0.000 2.295 108 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 108 V C 2.603 178.646 176.094 -0.084 0.000 1.049 108 V CA 2.146 64.338 62.300 -0.180 0.000 1.024 108 V CB -0.674 30.911 31.823 -0.396 0.000 0.648 108 V HN 0.429 nan 8.190 nan 0.000 0.447 109 K N 0.205 120.565 120.400 -0.067 0.000 2.020 109 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 109 K C 2.158 178.746 176.600 -0.020 0.000 1.050 109 K CA 2.117 58.387 56.287 -0.028 0.000 0.929 109 K CB -0.593 31.897 32.500 -0.017 0.000 0.714 109 K HN 0.458 nan 8.250 nan 0.000 0.443 110 M N 0.124 119.712 119.600 -0.021 0.000 2.108 110 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 110 M C 2.260 178.551 176.300 -0.016 0.000 1.066 110 M CA 1.452 56.742 55.300 -0.016 0.000 1.107 110 M CB -0.423 32.168 32.600 -0.014 0.000 1.356 110 M HN -0.130 nan 8.290 nan 0.000 0.406 111 V N 0.372 120.275 119.914 -0.019 0.000 2.343 111 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 111 V C 2.343 178.434 176.094 -0.006 0.000 1.051 111 V CA 1.795 64.087 62.300 -0.012 0.000 1.036 111 V CB -0.820 30.994 31.823 -0.014 0.000 0.654 111 V HN 0.432 nan 8.190 nan 0.000 0.451 112 R N -0.093 120.403 120.500 -0.006 0.000 2.103 112 R HA -0.173 4.166 4.340 -0.000 0.000 0.234 112 R C 2.269 178.570 176.300 0.003 0.000 1.132 112 R CA 1.949 58.050 56.100 0.002 0.000 0.925 112 R CB -0.947 29.355 30.300 0.004 0.000 0.842 112 R HN 0.412 nan 8.270 nan 0.000 0.430 113 V N 1.295 121.209 119.914 -0.001 0.000 2.282 113 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 113 V C 2.455 178.549 176.094 -0.000 0.000 1.057 113 V CA 2.217 64.516 62.300 -0.001 0.000 1.032 113 V CB -0.678 31.142 31.823 -0.005 0.000 0.645 113 V HN 0.342 nan 8.190 nan 0.000 0.447 114 Q N 0.526 120.325 119.800 -0.002 0.000 2.062 114 Q HA -0.243 4.097 4.340 -0.000 0.000 0.209 114 Q C 2.143 178.146 176.000 0.005 0.000 0.996 114 Q CA 2.680 58.482 55.803 -0.002 0.000 0.859 114 Q CB -0.708 28.027 28.738 -0.005 0.000 0.920 114 Q HN 0.617 nan 8.270 nan 0.000 0.415 115 A N 0.161 122.985 122.820 0.007 0.000 1.845 115 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 115 A C 2.116 179.709 177.584 0.016 0.000 1.195 115 A CA 1.586 53.631 52.037 0.012 0.000 0.616 115 A CB -0.981 18.027 19.000 0.013 0.000 0.832 115 A HN 0.488 nan 8.150 nan 0.000 0.443 116 I N -0.745 119.834 120.570 0.014 0.000 2.077 116 I HA -0.346 3.824 4.170 -0.000 0.000 0.231 116 I C 2.496 178.624 176.117 0.018 0.000 1.011 116 I CA 2.171 63.480 61.300 0.015 0.000 1.304 116 I CB -0.668 37.338 38.000 0.010 0.000 1.019 116 I HN 0.358 nan 8.210 nan 0.000 0.388 117 E N 0.755 120.963 120.200 0.013 0.000 2.339 117 E HA -0.251 4.099 4.350 -0.000 0.000 0.201 117 E C 1.923 178.539 176.600 0.027 0.000 1.015 117 E CA 1.302 57.711 56.400 0.016 0.000 0.841 117 E CB -0.130 29.575 29.700 0.008 0.000 0.754 117 E HN 0.284 nan 8.360 nan 0.000 0.508 118 K N 0.116 120.532 120.400 0.026 0.000 2.021 118 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 118 K C 0.704 177.331 176.600 0.045 0.000 1.047 118 K CA 1.395 57.700 56.287 0.030 0.000 0.943 118 K CB -0.029 32.484 32.500 0.021 0.000 0.725 118 K HN 0.325 nan 8.250 nan 0.000 0.439 119 N N 0.052 118.779 118.700 0.044 0.000 2.538 119 N HA 0.041 4.780 4.740 -0.000 0.000 0.291 119 N C 0.983 176.535 175.510 0.070 0.000 1.323 119 N CA -0.299 52.785 53.050 0.058 0.000 0.934 119 N CB 0.648 39.160 38.487 0.040 0.000 1.255 119 N HN 0.060 nan 8.380 nan 0.000 0.509 120 R N 0.038 120.582 120.500 0.073 0.000 2.073 120 R HA -0.145 4.195 4.340 -0.000 0.000 0.229 120 R C 1.291 177.643 176.300 0.086 0.000 1.120 120 R CA 0.912 57.044 56.100 0.054 0.000 0.967 120 R CB -0.318 29.994 30.300 0.020 0.000 0.862 120 R HN 0.267 nan 8.270 nan 0.000 0.436 121 Y N 1.781 122.084 120.300 0.006 0.000 2.081 121 Y HA -0.289 4.261 4.550 -0.000 0.000 0.280 121 Y C 2.455 178.361 175.900 0.009 0.000 1.163 121 Y CA 1.798 59.902 58.100 0.007 0.000 1.135 121 Y CB -0.243 38.221 38.460 0.007 0.000 0.970 121 Y HN 0.004 nan 8.280 nan 0.000 0.498 122 R N -0.154 120.492 120.500 0.244 0.000 2.115 122 R HA -0.270 4.070 4.340 -0.000 0.000 0.239 122 R C 2.418 178.783 176.300 0.109 0.000 1.133 122 R CA 1.579 57.761 56.100 0.137 0.000 0.935 122 R CB -1.361 28.986 30.300 0.078 0.000 0.853 122 R HN 0.458 nan 8.270 nan 0.000 0.433 123 A N 0.993 123.861 122.820 0.081 0.000 1.865 123 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 123 A C 2.144 179.756 177.584 0.047 0.000 1.191 123 A CA 1.875 53.943 52.037 0.052 0.000 0.623 123 A CB -0.650 18.371 19.000 0.034 0.000 0.826 123 A HN 0.526 nan 8.150 nan 0.000 0.444 124 E N -0.414 119.808 120.200 0.038 0.000 2.118 124 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 124 E C 1.990 178.617 176.600 0.045 0.000 0.992 124 E CA 1.479 57.884 56.400 0.008 0.000 0.804 124 E CB -0.141 29.518 29.700 -0.069 0.000 0.741 124 E HN 0.770 nan 8.360 nan 0.000 0.458 125 E N 0.309 120.577 120.200 0.114 0.000 2.000 125 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 125 E C 2.264 178.913 176.600 0.082 0.000 1.011 125 E CA 1.540 58.022 56.400 0.136 0.000 0.836 125 E CB -0.191 29.620 29.700 0.185 0.000 0.778 125 E HN 0.306 nan 8.360 nan 0.000 0.462 126 L N 0.524 121.790 121.223 0.072 0.000 2.189 126 L HA -0.228 4.112 4.340 -0.000 0.000 0.214 126 L C 2.594 179.487 176.870 0.038 0.000 1.097 126 L CA 0.893 55.764 54.840 0.052 0.000 0.764 126 L CB -0.707 41.380 42.059 0.046 0.000 0.900 126 L HN 0.257 nan 8.230 nan 0.000 0.436 127 A N 1.530 124.370 122.820 0.034 0.000 1.845 127 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 127 A C 2.232 179.825 177.584 0.015 0.000 1.195 127 A CA 1.794 53.843 52.037 0.019 0.000 0.616 127 A CB -0.486 18.522 19.000 0.013 0.000 0.832 127 A HN 0.603 nan 8.150 nan 0.000 0.443 128 E N -0.212 120.000 120.200 0.020 0.000 2.150 128 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 128 E C 1.608 178.220 176.600 0.019 0.000 0.985 128 E CA 1.228 57.639 56.400 0.018 0.000 0.814 128 E CB -0.352 29.364 29.700 0.027 0.000 0.752 128 E HN 0.538 nan 8.360 nan 0.000 0.466 129 E N 1.091 121.311 120.200 0.032 0.000 2.455 129 E HA -0.140 4.210 4.350 -0.000 0.000 0.202 129 E C 1.605 178.215 176.600 0.017 0.000 1.045 129 E CA 0.784 57.204 56.400 0.034 0.000 0.872 129 E CB -0.011 29.718 29.700 0.049 0.000 0.792 129 E HN 0.308 nan 8.360 nan 0.000 0.542 130 R N -0.988 119.516 120.500 0.007 0.000 2.446 130 R HA 0.324 4.664 4.340 -0.000 0.000 0.254 130 R C 1.398 177.684 176.300 -0.025 0.000 0.918 130 R CA 0.020 56.117 56.100 -0.005 0.000 1.069 130 R CB 0.344 30.645 30.300 0.002 0.000 1.194 130 R HN 0.218 nan 8.270 nan 0.000 0.534 131 I N 0.447 121.001 120.570 -0.028 0.000 3.228 131 I HA -0.077 4.093 4.170 -0.000 0.000 0.279 131 I C 1.344 177.407 176.117 -0.091 0.000 1.221 131 I CA 0.522 61.791 61.300 -0.051 0.000 1.458 131 I CB 0.299 38.278 38.000 -0.034 0.000 1.105 131 I HN 0.180 nan 8.210 nan 0.000 0.445 132 L N 0.143 121.325 121.223 -0.068 0.000 2.313 132 L HA -0.108 4.232 4.340 -0.000 0.000 0.214 132 L C 1.663 178.464 176.870 -0.116 0.000 1.119 132 L CA 0.830 55.613 54.840 -0.096 0.000 0.809 132 L CB -0.450 41.597 42.059 -0.020 0.000 0.933 132 L HN 0.233 nan 8.230 nan 0.000 0.449 133 D N -0.471 119.881 120.400 -0.080 0.000 2.312 133 D HA -0.122 4.518 4.640 -0.000 0.000 0.211 133 D C 2.041 178.283 176.300 -0.098 0.000 0.964 133 D CA 0.955 54.910 54.000 -0.075 0.000 0.877 133 D CB 0.507 41.279 40.800 -0.047 0.000 0.924 133 D HN 0.206 nan 8.370 nan 0.000 0.515 134 V N 0.316 120.156 119.914 -0.122 0.000 3.125 134 V HA -0.001 4.119 4.120 -0.000 0.000 0.249 134 V C 2.115 178.087 176.094 -0.203 0.000 1.113 134 V CA 0.431 62.654 62.300 -0.128 0.000 1.106 134 V CB 0.097 31.859 31.823 -0.102 0.000 0.768 134 V HN 0.046 nan 8.190 nan 0.000 0.468 135 L N 0.329 121.355 121.223 -0.330 0.000 2.072 135 L HA 0.103 4.443 4.340 -0.000 0.000 0.205 135 L C 0.478 177.016 176.870 -0.553 0.000 1.079 135 L CA 1.264 55.712 54.840 -0.653 0.000 0.752 135 L CB -0.060 41.320 42.059 -1.132 0.000 0.906 135 L HN 0.309 nan 8.230 nan 0.000 0.436 136 I N -1.356 119.019 120.570 -0.325 0.000 2.698 136 I HA 0.294 4.464 4.170 -0.000 0.000 0.276 136 I C -2.532 173.537 176.117 -0.079 0.000 1.166 136 I CA -1.918 59.311 61.300 -0.118 0.000 1.101 136 I CB 0.451 38.461 38.000 0.017 0.000 1.305 136 I HN -0.269 nan 8.210 nan 0.000 0.526 137 P HA 0.017 nan 4.420 nan 0.000 0.255 137 P C -2.015 175.254 177.300 -0.051 0.000 1.173 137 P CA -0.271 62.793 63.100 -0.060 0.000 0.780 137 P CB -0.301 31.369 31.700 -0.050 0.000 0.758 138 P HA 0.152 nan 4.420 nan 0.000 0.272 138 P C -0.893 176.364 177.300 -0.071 0.000 1.223 138 P CA -0.294 62.762 63.100 -0.072 0.000 0.784 138 P CB 0.898 32.540 31.700 -0.096 0.000 0.923 139 A N 2.875 125.649 122.820 -0.076 0.000 2.276 139 A HA 0.415 4.735 4.320 -0.000 0.000 0.300 139 A C 0.248 177.780 177.584 -0.087 0.000 1.235 139 A CA -0.688 51.309 52.037 -0.066 0.000 0.867 139 A CB -0.054 18.914 19.000 -0.054 0.000 1.137 139 A HN 0.533 nan 8.150 nan 0.000 0.527 140 K N 2.617 122.975 120.400 -0.071 0.000 2.611 140 K HA 0.013 4.333 4.320 -0.000 0.000 0.280 140 K C 0.179 176.728 176.600 -0.085 0.000 0.964 140 K CA 0.922 57.165 56.287 -0.073 0.000 1.029 140 K CB -0.245 32.231 32.500 -0.040 0.000 0.862 140 K HN 1.008 nan 8.250 nan 0.000 0.501 141 N N 0.861 119.504 118.700 -0.096 0.000 4.161 141 N HA -0.203 4.537 4.740 -0.000 0.000 0.323 141 N C -1.065 174.351 175.510 -0.156 0.000 2.153 141 N CA 1.260 54.261 53.050 -0.082 0.000 3.017 141 N CB -0.120 38.350 38.487 -0.028 0.000 0.293 141 N HN 1.239 nan 8.380 nan 0.000 0.790 142 N N 0.993 119.586 118.700 -0.179 0.000 3.632 142 N HA 0.274 5.014 4.740 -0.000 0.000 0.361 142 N C -0.681 174.813 175.510 -0.027 0.000 1.476 142 N CA 0.097 53.003 53.050 -0.240 0.000 0.783 142 N CB -0.159 38.001 38.487 -0.546 0.000 2.639 142 N HN 0.586 nan 8.380 nan 0.000 0.512 143 W N -0.825 120.478 121.300 0.005 0.000 2.948 143 W HA -0.049 4.610 4.660 -0.000 0.000 0.183 143 W C 1.339 177.860 176.519 0.004 0.000 0.639 143 W CA 2.108 59.456 57.345 0.004 0.000 0.487 143 W CB -1.831 27.631 29.460 0.004 0.000 2.523 143 W HN 1.586 nan 8.180 nan 0.000 0.398 144 G N -1.380 107.586 108.800 0.277 0.000 2.541 144 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.201 144 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.201 144 G C -0.044 174.913 174.900 0.095 0.000 1.026 144 G CA 0.674 45.860 45.100 0.143 0.000 0.687 144 G HN 0.572 nan 8.290 nan 0.000 0.492 145 Q N -0.220 119.641 119.800 0.101 0.000 2.699 145 Q HA 0.734 5.074 4.340 -0.000 0.000 0.240 145 Q C 0.574 176.617 176.000 0.071 0.000 1.033 145 Q CA 0.411 56.255 55.803 0.069 0.000 0.938 145 Q CB 1.444 30.215 28.738 0.055 0.000 1.312 145 Q HN 0.233 nan 8.270 nan 0.000 0.507 146 T N 0.259 114.844 114.554 0.051 0.000 3.218 146 T HA 0.262 4.612 4.350 -0.000 0.000 0.236 146 T C -0.982 173.748 174.700 0.049 0.000 1.005 146 T CA -0.061 62.066 62.100 0.045 0.000 1.055 146 T CB -0.459 68.426 68.868 0.028 0.000 1.136 146 T HN 0.449 nan 8.240 nan 0.000 0.577 147 E N 1.220 121.460 120.200 0.067 0.000 3.012 147 E HA 0.148 4.498 4.350 -0.000 0.000 0.228 147 E C 0.918 177.566 176.600 0.079 0.000 1.184 147 E CA -0.304 56.133 56.400 0.060 0.000 1.407 147 E CB 0.806 30.537 29.700 0.052 0.000 1.438 147 E HN 0.285 nan 8.360 nan 0.000 0.435 148 Q N 1.501 121.348 119.800 0.078 0.000 2.172 148 Q HA -0.188 4.152 4.340 -0.000 0.000 0.200 148 Q C 2.022 178.065 176.000 0.072 0.000 0.964 148 Q CA 1.666 57.525 55.803 0.093 0.000 0.855 148 Q CB 0.223 29.005 28.738 0.073 0.000 0.918 148 Q HN 0.535 nan 8.270 nan 0.000 0.444 149 Q N -1.247 118.584 119.800 0.051 0.000 2.376 149 Q HA -0.058 4.282 4.340 -0.000 0.000 0.206 149 Q C 1.647 177.668 176.000 0.036 0.000 0.921 149 Q CA 0.805 56.633 55.803 0.041 0.000 0.911 149 Q CB -0.106 28.650 28.738 0.031 0.000 1.032 149 Q HN 0.406 nan 8.270 nan 0.000 0.510 150 Q N -0.078 119.743 119.800 0.035 0.000 2.319 150 Q HA -0.020 4.320 4.340 -0.000 0.000 0.202 150 Q C 1.185 177.200 176.000 0.025 0.000 0.896 150 Q CA 0.162 55.981 55.803 0.026 0.000 0.942 150 Q CB 0.509 29.260 28.738 0.021 0.000 1.083 150 Q HN 0.271 nan 8.270 nan 0.000 0.510 151 E N 0.922 121.144 120.200 0.036 0.000 2.033 151 E HA -0.038 4.312 4.350 -0.000 0.000 0.189 151 E C -0.933 175.672 176.600 0.008 0.000 0.979 151 E CA 0.990 57.405 56.400 0.025 0.000 0.802 151 E CB -0.717 29.023 29.700 0.066 0.000 0.763 151 E HN 0.292 nan 8.360 nan 0.000 0.449 152 P HA -0.121 nan 4.420 nan 0.000 0.221 152 P C -0.650 176.663 177.300 0.022 0.000 1.141 152 P CA 1.538 64.655 63.100 0.027 0.000 0.794 152 P CB -0.311 31.416 31.700 0.045 0.000 0.764 153 S N -3.114 112.597 115.700 0.017 0.000 3.217 153 S HA -0.167 4.303 4.470 -0.000 0.000 0.857 153 S C 1.000 175.616 174.600 0.026 0.000 1.078 153 S CA -0.215 57.995 58.200 0.016 0.000 1.169 153 S CB -1.282 61.925 63.200 0.012 0.000 0.822 153 S HN 0.288 nan 8.310 nan 0.000 0.256 154 A N 3.738 126.567 122.820 0.016 0.000 2.139 154 A HA 0.266 4.586 4.320 -0.000 0.000 0.221 154 A C 2.422 180.012 177.584 0.010 0.000 1.159 154 A CA 2.342 54.384 52.037 0.008 0.000 0.662 154 A CB -1.373 17.625 19.000 -0.004 0.000 0.796 154 A HN 2.217 nan 8.150 nan 0.000 0.463 155 A N -0.253 122.588 122.820 0.035 0.000 1.872 155 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 155 A C 2.225 179.917 177.584 0.180 0.000 1.187 155 A CA 1.461 53.542 52.037 0.074 0.000 0.614 155 A CB -0.424 18.643 19.000 0.112 0.000 0.826 155 A HN 0.542 nan 8.150 nan 0.000 0.442 156 R N -0.335 120.258 120.500 0.155 0.000 2.075 156 R HA -0.139 4.200 4.340 -0.000 0.000 0.232 156 R C 2.318 178.705 176.300 0.145 0.000 1.126 156 R CA 1.661 57.865 56.100 0.173 0.000 0.963 156 R CB -0.324 30.029 30.300 0.089 0.000 0.858 156 R HN 0.669 nan 8.270 nan 0.000 0.435 157 Q N -0.230 119.621 119.800 0.084 0.000 2.135 157 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 157 Q C 2.117 178.143 176.000 0.044 0.000 0.981 157 Q CA 1.727 57.565 55.803 0.058 0.000 0.856 157 Q CB -0.133 28.626 28.738 0.035 0.000 0.902 157 Q HN 0.441 nan 8.270 nan 0.000 0.425 158 A N 0.443 123.269 122.820 0.010 0.000 1.855 158 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 158 A C 1.777 179.324 177.584 -0.061 0.000 1.191 158 A CA 1.081 53.075 52.037 -0.072 0.000 0.613 158 A CB -0.744 18.149 19.000 -0.179 0.000 0.829 158 A HN 0.281 nan 8.150 nan 0.000 0.442 159 F N 0.014 119.965 119.950 0.002 0.000 2.126 159 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 159 F C 2.409 178.211 175.800 0.004 0.000 1.096 159 F CA 1.810 59.811 58.000 0.002 0.000 1.255 159 F CB -0.462 38.538 39.000 0.000 0.000 0.997 159 F HN 0.245 nan 8.300 nan 0.000 0.479 160 R N 0.866 121.488 120.500 0.203 0.000 2.094 160 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 160 R C 2.243 178.593 176.300 0.084 0.000 1.137 160 R CA 2.121 58.293 56.100 0.121 0.000 0.943 160 R CB -0.480 29.875 30.300 0.093 0.000 0.850 160 R HN 0.196 nan 8.270 nan 0.000 0.433 161 K N 0.217 120.653 120.400 0.060 0.000 2.026 161 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 161 K C 2.039 178.659 176.600 0.034 0.000 1.048 161 K CA 1.909 58.217 56.287 0.035 0.000 0.929 161 K CB -0.046 32.462 32.500 0.014 0.000 0.713 161 K HN 0.131 nan 8.250 nan 0.000 0.439 162 K N 0.359 120.781 120.400 0.036 0.000 2.032 162 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 162 K C 2.141 178.779 176.600 0.062 0.000 1.048 162 K CA 1.538 57.848 56.287 0.038 0.000 0.927 162 K CB -0.240 32.280 32.500 0.035 0.000 0.712 162 K HN 0.105 nan 8.250 nan 0.000 0.441 163 L N 1.395 122.673 121.223 0.093 0.000 1.976 163 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 163 L C 2.159 179.054 176.870 0.042 0.000 1.071 163 L CA 1.698 56.584 54.840 0.077 0.000 0.746 163 L CB -0.374 41.737 42.059 0.086 0.000 0.890 163 L HN 0.037 nan 8.230 nan 0.000 0.432 164 R N -0.242 120.280 120.500 0.037 0.000 2.083 164 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 164 R C 0.361 176.666 176.300 0.008 0.000 1.137 164 R CA 1.674 57.785 56.100 0.018 0.000 0.951 164 R CB -0.276 30.037 30.300 0.022 0.000 0.851 164 R HN 0.527 nan 8.270 nan 0.000 0.434 165 E N -0.561 119.647 120.200 0.013 0.000 3.167 165 E HA 0.279 4.629 4.350 -0.000 0.000 0.212 165 E C -0.193 176.413 176.600 0.010 0.000 1.143 165 E CA -0.355 56.050 56.400 0.007 0.000 1.002 165 E CB 1.556 31.260 29.700 0.007 0.000 1.315 165 E HN 0.399 nan 8.360 nan 0.000 0.422 166 G N 1.389 110.196 108.800 0.012 0.000 2.693 166 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.119 166 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.119 166 G C -0.989 173.921 174.900 0.016 0.000 1.063 166 G CA -0.452 44.656 45.100 0.013 0.000 1.405 166 G HN 0.187 nan 8.290 nan 0.000 0.626 167 Q N 0.578 120.394 119.800 0.026 0.000 2.310 167 Q HA 0.622 4.962 4.340 -0.000 0.000 0.270 167 Q C -1.504 174.521 176.000 0.042 0.000 1.025 167 Q CA -0.674 55.147 55.803 0.029 0.000 0.772 167 Q CB 2.386 31.145 28.738 0.034 0.000 1.253 167 Q HN 0.274 nan 8.270 nan 0.000 0.450 168 L N 1.729 122.970 121.223 0.030 0.000 2.333 168 L HA 0.586 4.926 4.340 -0.000 0.000 0.269 168 L C 0.104 176.988 176.870 0.022 0.000 1.010 168 L CA -0.191 54.664 54.840 0.026 0.000 0.818 168 L CB 1.390 43.457 42.059 0.013 0.000 1.306 168 L HN 0.675 nan 8.230 nan 0.000 0.430 169 D N -1.235 119.176 120.400 0.018 0.000 4.120 169 D HA -0.012 4.628 4.640 -0.000 0.000 0.323 169 D C -0.951 175.354 176.300 0.008 0.000 0.450 169 D CA 0.080 54.088 54.000 0.012 0.000 0.745 169 D CB 0.412 41.220 40.800 0.013 0.000 1.601 169 D HN 0.567 nan 8.370 nan 0.000 0.146 170 D N 0.952 121.357 120.400 0.009 0.000 2.890 170 D HA 0.413 5.053 4.640 -0.000 0.000 0.233 170 D C -0.216 176.080 176.300 -0.006 0.000 1.306 170 D CA -0.234 53.767 54.000 0.002 0.000 0.929 170 D CB 2.226 43.030 40.800 0.006 0.000 1.512 170 D HN 0.155 nan 8.370 nan 0.000 0.568 171 K N -0.021 120.371 120.400 -0.014 0.000 2.597 171 K HA 0.522 4.841 4.320 -0.000 0.000 0.278 171 K C -1.345 175.241 176.600 -0.022 0.000 0.984 171 K CA -1.031 55.242 56.287 -0.023 0.000 0.775 171 K CB 1.941 34.416 32.500 -0.041 0.000 1.465 171 K HN 0.122 nan 8.250 nan 0.000 0.351 172 E N 1.089 121.272 120.200 -0.029 0.000 2.255 172 E HA 0.382 4.732 4.350 -0.000 0.000 0.256 172 E C -1.560 175.023 176.600 -0.029 0.000 0.887 172 E CA -0.786 55.599 56.400 -0.024 0.000 0.782 172 E CB 1.027 30.714 29.700 -0.021 0.000 1.214 172 E HN 0.436 nan 8.360 nan 0.000 0.417 173 I N 3.262 123.817 120.570 -0.024 0.000 2.493 173 I HA 0.232 4.402 4.170 -0.000 0.000 0.298 173 I C 0.144 176.250 176.117 -0.018 0.000 0.998 173 I CA -0.802 60.483 61.300 -0.024 0.000 1.137 173 I CB 1.645 39.631 38.000 -0.023 0.000 1.310 173 I HN 0.428 nan 8.210 nan 0.000 0.445 174 E N 5.710 125.900 120.200 -0.017 0.000 2.301 174 E HA 0.737 5.087 4.350 -0.000 0.000 0.275 174 E C -0.768 175.827 176.600 -0.008 0.000 1.030 174 E CA -0.442 55.951 56.400 -0.012 0.000 0.852 174 E CB 1.780 31.473 29.700 -0.011 0.000 1.060 174 E HN 0.606 nan 8.360 nan 0.000 0.401 175 I N 0.699 121.266 120.570 -0.006 0.000 3.097 175 I HA 0.371 4.541 4.170 -0.000 0.000 0.176 175 I C -0.623 175.493 176.117 -0.001 0.000 0.453 175 I CA -0.697 60.602 61.300 -0.003 0.000 2.938 175 I CB 0.960 38.958 38.000 -0.003 0.000 1.375 175 I HN 0.544 nan 8.210 nan 0.000 0.492 214 R N 1.589 122.083 120.500 -0.010 0.000 3.170 214 R HA 0.403 4.743 4.340 -0.000 0.000 0.257 214 R C -0.708 175.586 176.300 -0.010 0.000 1.139 214 R CA -0.810 55.285 56.100 -0.008 0.000 1.158 214 R CB 0.799 31.095 30.300 -0.007 0.000 1.269 214 R HN 0.749 nan 8.270 nan 0.000 0.459 215 K N 2.296 122.690 120.400 -0.009 0.000 2.339 215 K HA 0.191 4.511 4.320 -0.000 0.000 0.260 215 K C -0.580 176.015 176.600 -0.009 0.000 0.989 215 K CA -0.076 56.205 56.287 -0.010 0.000 0.888 215 K CB 0.456 32.951 32.500 -0.008 0.000 0.983 215 K HN 0.523 nan 8.250 nan 0.000 0.515 216 L N -0.029 121.189 121.223 -0.010 0.000 2.486 216 L HA 0.294 4.634 4.340 -0.000 0.000 0.286 216 L C -1.854 175.011 176.870 -0.008 0.000 0.708 216 L CA -0.293 54.542 54.840 -0.008 0.000 1.158 216 L CB 0.754 42.807 42.059 -0.009 0.000 1.666 216 L HN 0.977 nan 8.230 nan 0.000 0.340 217 K N 0.376 120.772 120.400 -0.007 0.000 2.587 217 K HA 0.374 4.694 4.320 -0.000 0.000 0.256 217 K C 0.536 177.132 176.600 -0.006 0.000 0.974 217 K CA -0.595 55.689 56.287 -0.005 0.000 0.855 217 K CB 1.800 34.299 32.500 -0.003 0.000 1.292 217 K HN 0.466 nan 8.250 nan 0.000 0.444 218 I N 1.776 122.342 120.570 -0.006 0.000 2.132 218 I HA -0.421 3.749 4.170 -0.000 0.000 0.238 218 I C 2.353 178.468 176.117 -0.004 0.000 1.012 218 I CA 1.821 63.118 61.300 -0.006 0.000 1.288 218 I CB -0.422 37.577 38.000 -0.000 0.000 0.997 218 I HN 0.798 nan 8.210 nan 0.000 0.402 219 K N 0.113 120.513 120.400 -0.001 0.000 2.304 219 K HA -0.250 4.070 4.320 -0.000 0.000 0.204 219 K C 1.372 177.969 176.600 -0.005 0.000 1.044 219 K CA 1.859 58.145 56.287 -0.002 0.000 0.932 219 K CB -0.045 32.455 32.500 -0.001 0.000 0.735 219 K HN 0.488 nan 8.250 nan 0.000 0.468 220 D N -1.280 119.117 120.400 -0.005 0.000 2.615 220 D HA 0.044 4.684 4.640 -0.000 0.000 0.259 220 D C 1.687 177.984 176.300 -0.006 0.000 0.999 220 D CA 0.699 54.696 54.000 -0.005 0.000 0.938 220 D CB -0.072 40.725 40.800 -0.005 0.000 1.121 220 D HN 0.135 nan 8.370 nan 0.000 0.487 221 A N 1.259 124.075 122.820 -0.007 0.000 2.032 221 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 221 A C 2.119 179.698 177.584 -0.008 0.000 1.165 221 A CA 1.487 53.520 52.037 -0.008 0.000 0.645 221 A CB -0.463 18.529 19.000 -0.012 0.000 0.807 221 A HN 0.127 nan 8.150 nan 0.000 0.453 222 M N -0.157 119.439 119.600 -0.008 0.000 2.059 222 M HA -0.113 4.366 4.480 -0.000 0.000 0.259 222 M C 1.980 178.275 176.300 -0.007 0.000 1.072 222 M CA 2.027 57.322 55.300 -0.007 0.000 1.117 222 M CB -0.384 32.211 32.600 -0.008 0.000 1.320 222 M HN 0.350 nan 8.290 nan 0.000 0.408 223 K N -0.232 120.163 120.400 -0.008 0.000 2.044 223 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 223 K C 1.982 178.579 176.600 -0.004 0.000 1.049 223 K CA 1.627 57.910 56.287 -0.007 0.000 0.927 223 K CB -0.842 31.654 32.500 -0.007 0.000 0.713 223 K HN 0.373 nan 8.250 nan 0.000 0.443 224 L N 1.816 123.037 121.223 -0.004 0.000 1.978 224 L HA -0.246 4.094 4.340 -0.000 0.000 0.218 224 L C 2.073 178.942 176.870 -0.001 0.000 1.075 224 L CA 1.823 56.661 54.840 -0.002 0.000 0.767 224 L CB -0.915 41.142 42.059 -0.003 0.000 0.890 224 L HN 0.279 nan 8.230 nan 0.000 0.434 225 L N -0.364 120.858 121.223 -0.001 0.000 2.012 225 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 225 L C 2.708 179.580 176.870 0.004 0.000 1.073 225 L CA 1.547 56.388 54.840 0.001 0.000 0.748 225 L CB -0.509 41.550 42.059 -0.000 0.000 0.891 225 L HN 0.289 nan 8.230 nan 0.000 0.431 226 I N -0.336 120.235 120.570 0.002 0.000 2.151 226 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 226 I C 2.662 178.783 176.117 0.006 0.000 1.080 226 I CA 1.269 62.571 61.300 0.003 0.000 1.339 226 I CB -0.494 37.504 38.000 -0.004 0.000 1.039 226 I HN 0.339 nan 8.210 nan 0.000 0.409 227 E N 1.179 121.382 120.200 0.004 0.000 2.017 227 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 227 E C 1.962 178.568 176.600 0.009 0.000 0.997 227 E CA 1.353 57.757 56.400 0.006 0.000 0.804 227 E CB -0.678 29.025 29.700 0.005 0.000 0.757 227 E HN 0.571 nan 8.360 nan 0.000 0.448 228 E N 0.620 120.824 120.200 0.008 0.000 2.147 228 E HA -0.215 4.135 4.350 -0.000 0.000 0.199 228 E C 1.992 178.599 176.600 0.012 0.000 1.005 228 E CA 1.053 57.459 56.400 0.009 0.000 0.810 228 E CB 0.001 29.706 29.700 0.007 0.000 0.736 228 E HN 0.256 nan 8.360 nan 0.000 0.460 229 E N 0.128 120.336 120.200 0.014 0.000 2.086 229 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 229 E C 2.116 178.728 176.600 0.020 0.000 0.975 229 E CA 0.721 57.132 56.400 0.018 0.000 0.813 229 E CB -0.203 29.510 29.700 0.021 0.000 0.768 229 E HN 0.204 nan 8.360 nan 0.000 0.457 230 A N 2.016 124.847 122.820 0.019 0.000 1.927 230 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 230 A C 2.411 180.007 177.584 0.019 0.000 1.185 230 A CA 2.327 54.376 52.037 0.020 0.000 0.639 230 A CB -0.724 18.285 19.000 0.016 0.000 0.820 230 A HN 0.273 nan 8.150 nan 0.000 0.451 231 A N 0.044 122.874 122.820 0.017 0.000 1.852 231 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 231 A C 2.011 179.606 177.584 0.018 0.000 1.215 231 A CA 2.229 54.276 52.037 0.017 0.000 0.641 231 A CB -0.826 18.183 19.000 0.015 0.000 0.838 231 A HN 0.555 nan 8.150 nan 0.000 0.450 232 K N -0.816 119.594 120.400 0.017 0.000 2.227 232 K HA -0.214 4.105 4.320 -0.000 0.000 0.208 232 K C 1.702 178.313 176.600 0.018 0.000 1.045 232 K CA 1.589 57.887 56.287 0.017 0.000 0.931 232 K CB -0.421 32.090 32.500 0.018 0.000 0.721 232 K HN 0.395 nan 8.250 nan 0.000 0.469 233 L N 0.300 121.535 121.223 0.020 0.000 2.127 233 L HA 0.015 4.355 4.340 -0.000 0.000 0.203 233 L C 0.983 177.864 176.870 0.019 0.000 1.080 233 L CA 0.767 55.619 54.840 0.020 0.000 0.768 233 L CB -0.685 41.388 42.059 0.023 0.000 0.924 233 L HN -0.110 nan 8.230 nan 0.000 0.444 234 V N 2.165 122.091 119.914 0.019 0.000 2.521 234 V HA 0.019 4.139 4.120 -0.000 0.000 0.286 234 V C 0.333 176.439 176.094 0.020 0.000 1.034 234 V CA -0.283 62.029 62.300 0.019 0.000 1.045 234 V CB -0.095 31.740 31.823 0.020 0.000 0.974 234 V HN 0.421 nan 8.190 nan 0.000 0.480 235 N N 6.670 125.382 118.700 0.020 0.000 2.414 235 N HA 0.227 4.967 4.740 -0.000 0.000 0.256 235 N C -2.014 173.511 175.510 0.024 0.000 1.029 235 N CA -1.309 51.753 53.050 0.020 0.000 0.948 235 N CB 1.625 40.123 38.487 0.018 0.000 1.102 235 N HN 0.370 nan 8.380 nan 0.000 0.496 236 P HA -0.185 nan 4.420 nan 0.000 0.212 236 P C 0.770 178.092 177.300 0.036 0.000 1.178 236 P CA 1.345 64.464 63.100 0.032 0.000 0.915 236 P CB 0.304 32.022 31.700 0.029 0.000 0.788 237 E N -0.531 119.688 120.200 0.031 0.000 2.160 237 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 237 E C 1.976 178.595 176.600 0.032 0.000 0.991 237 E CA 1.183 57.602 56.400 0.032 0.000 0.810 237 E CB -0.717 28.999 29.700 0.026 0.000 0.742 237 E HN 0.352 nan 8.360 nan 0.000 0.466 238 E N -0.372 119.845 120.200 0.028 0.000 2.072 238 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 238 E C 1.698 178.315 176.600 0.028 0.000 0.985 238 E CA 1.076 57.492 56.400 0.026 0.000 0.801 238 E CB -0.026 29.687 29.700 0.022 0.000 0.750 238 E HN 0.293 nan 8.360 nan 0.000 0.452 239 L N -0.550 120.690 121.223 0.029 0.000 2.418 239 L HA 0.166 4.506 4.340 -0.000 0.000 0.218 239 L C 1.841 178.730 176.870 0.032 0.000 1.125 239 L CA 1.398 56.254 54.840 0.027 0.000 0.835 239 L CB -0.463 41.611 42.059 0.025 0.000 0.953 239 L HN -0.127 nan 8.230 nan 0.000 0.454 240 K N -0.225 120.203 120.400 0.048 0.000 2.044 240 K HA -0.181 4.139 4.320 -0.000 0.000 0.204 240 K C 2.279 178.911 176.600 0.053 0.000 1.049 240 K CA 1.218 57.546 56.287 0.068 0.000 0.945 240 K CB 0.005 32.554 32.500 0.082 0.000 0.724 240 K HN 0.380 nan 8.250 nan 0.000 0.440 241 Q N 1.601 121.429 119.800 0.046 0.000 2.020 241 Q HA -0.172 4.167 4.340 -0.000 0.000 0.202 241 Q C 1.242 177.267 176.000 0.041 0.000 0.982 241 Q CA 2.311 58.139 55.803 0.043 0.000 0.838 241 Q CB -0.421 28.340 28.738 0.038 0.000 0.899 241 Q HN 0.277 nan 8.270 nan 0.000 0.423 242 D N -0.042 120.380 120.400 0.036 0.000 2.116 242 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 242 D C 1.658 177.976 176.300 0.030 0.000 0.998 242 D CA 1.975 55.995 54.000 0.034 0.000 0.836 242 D CB -0.498 40.316 40.800 0.024 0.000 0.951 242 D HN 0.447 nan 8.370 nan 0.000 0.449 243 A N -0.022 122.806 122.820 0.014 0.000 1.972 243 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 243 A C 2.268 179.857 177.584 0.007 0.000 1.169 243 A CA 0.884 52.915 52.037 -0.010 0.000 0.635 243 A CB -0.567 18.397 19.000 -0.060 0.000 0.810 243 A HN 0.224 nan 8.150 nan 0.000 0.446 244 I N -0.323 120.265 120.570 0.030 0.000 2.206 244 I HA -0.180 3.990 4.170 -0.000 0.000 0.239 244 I C 1.895 178.047 176.117 0.059 0.000 1.078 244 I CA 1.343 62.669 61.300 0.044 0.000 1.367 244 I CB -0.521 37.510 38.000 0.052 0.000 1.078 244 I HN 0.235 nan 8.210 nan 0.000 0.413 245 D N 1.544 121.984 120.400 0.067 0.000 2.170 245 D HA -0.261 4.379 4.640 -0.000 0.000 0.193 245 D C 2.081 178.459 176.300 0.129 0.000 1.004 245 D CA 1.644 55.697 54.000 0.089 0.000 0.860 245 D CB -0.529 40.326 40.800 0.091 0.000 0.931 245 D HN 0.406 nan 8.370 nan 0.000 0.448 246 A N 0.813 123.706 122.820 0.122 0.000 1.848 246 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 246 A C 2.609 180.286 177.584 0.155 0.000 1.220 246 A CA 2.504 54.632 52.037 0.152 0.000 0.645 246 A CB -1.151 17.889 19.000 0.066 0.000 0.842 246 A HN 0.147 nan 8.150 nan 0.000 0.451 247 V N 0.097 120.061 119.914 0.083 0.000 2.220 247 V HA -0.346 3.774 4.120 -0.000 0.000 0.250 247 V C 2.456 178.587 176.094 0.061 0.000 1.056 247 V CA 2.579 64.914 62.300 0.060 0.000 1.016 247 V CB -1.134 30.709 31.823 0.034 0.000 0.639 247 V HN 0.684 nan 8.190 nan 0.000 0.446 248 E N -0.600 119.638 120.200 0.063 0.000 2.219 248 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 248 E C 2.139 178.781 176.600 0.070 0.000 0.998 248 E CA 1.190 57.632 56.400 0.070 0.000 0.818 248 E CB -0.060 29.687 29.700 0.078 0.000 0.741 248 E HN 0.583 nan 8.360 nan 0.000 0.477 249 Q N -1.261 118.536 119.800 -0.005 0.000 2.280 249 Q HA 0.076 4.416 4.340 -0.000 0.000 0.228 249 Q C 0.424 176.085 176.000 -0.566 0.000 0.857 249 Q CA 0.611 56.266 55.803 -0.245 0.000 0.939 249 Q CB 0.769 29.312 28.738 -0.325 0.000 1.114 249 Q HN 0.459 nan 8.270 nan 0.000 0.514 250 H N -1.790 117.312 119.070 0.053 0.000 3.650 250 H HA 0.278 4.834 4.556 -0.000 0.000 0.260 250 H C 0.622 175.970 175.328 0.033 0.000 1.194 250 H CA 0.016 56.090 56.048 0.044 0.000 1.135 250 H CB 0.679 30.464 29.762 0.038 0.000 1.612 250 H HN 0.100 nan 8.280 nan 0.000 0.703 251 G N 1.454 110.311 108.800 0.096 0.000 2.391 251 G HA2 0.259 4.219 3.960 -0.000 0.000 0.234 251 G HA3 0.259 4.219 3.960 -0.000 0.000 0.234 251 G C -0.215 174.674 174.900 -0.018 0.000 1.284 251 G CA 0.064 45.182 45.100 0.029 0.000 0.873 251 G HN 0.320 nan 8.290 nan 0.000 0.549 252 I N 2.175 122.737 120.570 -0.012 0.000 2.476 252 I HA 0.163 4.333 4.170 -0.000 0.000 0.281 252 I C -0.453 175.579 176.117 -0.141 0.000 1.040 252 I CA -0.657 60.639 61.300 -0.006 0.000 1.094 252 I CB 2.055 40.196 38.000 0.235 0.000 1.219 252 I HN 0.096 nan 8.210 nan 0.000 0.450 253 V N 6.309 126.003 119.914 -0.367 0.000 2.472 253 V HA 0.345 4.465 4.120 -0.000 0.000 0.290 253 V C -0.656 175.353 176.094 -0.142 0.000 1.037 253 V CA -0.577 61.500 62.300 -0.371 0.000 0.908 253 V CB 2.031 33.565 31.823 -0.481 0.000 0.985 253 V HN 0.460 nan 8.190 nan 0.000 0.454 254 F N 5.972 125.767 119.950 -0.258 0.000 2.366 254 F HA 0.596 5.123 4.527 -0.000 0.000 0.366 254 F C -0.122 175.696 175.800 0.030 0.000 1.096 254 F CA -0.712 57.273 58.000 -0.025 0.000 1.060 254 F CB 0.746 39.798 39.000 0.086 0.000 1.282 254 F HN 0.351 nan 8.300 nan 0.000 0.450 255 I N 5.412 125.818 120.570 -0.274 0.000 2.281 255 I HA 0.152 4.322 4.170 -0.000 0.000 0.293 255 I C -0.132 175.817 176.117 -0.279 0.000 1.085 255 I CA -0.310 60.914 61.300 -0.126 0.000 1.257 255 I CB 0.327 38.322 38.000 -0.009 0.000 1.430 255 I HN 0.494 nan 8.210 nan 0.000 0.489 256 D N 5.682 126.058 120.400 -0.041 0.000 2.312 256 D HA 0.106 4.746 4.640 -0.000 0.000 0.248 256 D C 0.365 176.679 176.300 0.023 0.000 1.086 256 D CA 0.199 54.235 54.000 0.060 0.000 0.948 256 D CB 0.800 41.803 40.800 0.338 0.000 1.162 256 D HN 0.441 nan 8.370 nan 0.000 0.446 257 E N 1.404 121.605 120.200 0.000 0.000 2.389 257 E HA -0.212 4.138 4.350 -0.000 0.000 0.243 257 E C 0.946 177.490 176.600 -0.094 0.000 1.154 257 E CA 0.070 56.435 56.400 -0.058 0.000 0.723 257 E CB -1.024 28.665 29.700 -0.018 0.000 1.261 257 E HN 0.541 nan 8.360 nan 0.000 0.390 258 I N 1.252 121.756 120.570 -0.111 0.000 2.614 258 I HA -0.189 3.981 4.170 -0.000 0.000 0.258 258 I C 1.901 177.921 176.117 -0.161 0.000 1.189 258 I CA 1.871 63.131 61.300 -0.068 0.000 1.462 258 I CB -0.285 37.734 38.000 0.032 0.000 1.092 258 I HN 0.182 nan 8.210 nan 0.000 0.442 259 D N 0.120 120.225 120.400 -0.492 0.000 2.363 259 D HA -0.142 4.498 4.640 -0.000 0.000 0.226 259 D C 1.250 177.380 176.300 -0.283 0.000 1.020 259 D CA 0.374 53.968 54.000 -0.678 0.000 0.892 259 D CB -0.297 39.578 40.800 -1.542 0.000 0.900 259 D HN 0.146 nan 8.370 nan 0.000 0.531 260 K N 0.330 120.621 120.400 -0.182 0.000 2.504 260 K HA 0.247 4.567 4.320 -0.000 0.000 0.199 260 K C 0.943 177.515 176.600 -0.046 0.000 1.028 260 K CA -0.055 56.176 56.287 -0.094 0.000 1.164 260 K CB 0.567 33.027 32.500 -0.067 0.000 0.877 260 K HN 0.368 nan 8.250 nan 0.000 0.508 261 I N -0.760 119.787 120.570 -0.038 0.000 4.442 261 I HA 0.042 4.212 4.170 -0.000 0.000 0.331 261 I C 0.088 176.209 176.117 0.007 0.000 1.364 261 I CA -0.202 61.095 61.300 -0.005 0.000 1.207 261 I CB 0.796 38.803 38.000 0.011 0.000 1.298 261 I HN -0.100 nan 8.210 nan 0.000 0.463 262 C N 1.710 121.019 119.300 0.014 0.000 2.539 262 C HA 0.207 4.667 4.460 -0.000 0.000 0.392 262 C C 1.934 176.940 174.990 0.026 0.000 1.269 262 C CA -0.542 58.503 59.018 0.044 0.000 2.250 262 C CB 1.075 28.878 27.740 0.105 0.000 2.584 262 C HN 0.492 nan 8.230 nan 0.000 0.589 263 K N 1.046 121.462 120.400 0.026 0.000 2.274 263 K HA -0.370 3.950 4.320 -0.000 0.000 0.197 263 K C 1.480 178.085 176.600 0.008 0.000 0.690 263 K CA 2.652 58.949 56.287 0.016 0.000 1.049 263 K CB -0.418 32.094 32.500 0.021 0.000 0.632 263 K HN 0.759 nan 8.250 nan 0.000 0.835 264 R N -3.485 117.022 120.500 0.011 0.000 1.263 264 R HA -0.175 4.165 4.340 -0.000 0.000 0.012 264 R C 0.872 177.175 176.300 0.005 0.000 0.960 264 R CA 3.552 59.655 56.100 0.005 0.000 1.975 264 R CB -1.783 28.516 30.300 -0.003 0.000 0.150 264 R HN 1.108 nan 8.270 nan 0.000 0.731 265 G N 0.082 108.883 108.800 0.002 0.000 2.255 265 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.196 265 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.196 265 G C 0.415 175.315 174.900 0.000 0.000 0.998 265 G CA 1.093 46.194 45.100 0.002 0.000 0.656 265 G HN 0.827 nan 8.290 nan 0.000 0.490 266 E N 0.439 120.639 120.200 -0.001 0.000 2.502 266 E HA 0.520 4.870 4.350 -0.000 0.000 0.194 266 E C 0.862 177.460 176.600 -0.003 0.000 1.062 266 E CA 0.958 57.358 56.400 -0.001 0.000 0.867 266 E CB 0.175 29.875 29.700 0.000 0.000 0.888 266 E HN 0.357 nan 8.360 nan 0.000 0.510 267 S N -1.556 114.141 115.700 -0.006 0.000 2.761 267 S HA 0.350 4.820 4.470 -0.000 0.000 0.290 267 S C -0.131 174.464 174.600 -0.009 0.000 1.222 267 S CA -0.309 57.886 58.200 -0.008 0.000 0.954 267 S CB 1.469 64.661 63.200 -0.014 0.000 1.281 267 S HN 0.051 nan 8.310 nan 0.000 0.527 268 S N -0.540 115.152 115.700 -0.012 0.000 3.448 268 S HA 0.281 4.751 4.470 -0.000 0.000 0.254 268 S C 1.615 176.205 174.600 -0.017 0.000 1.102 268 S CA 0.334 58.527 58.200 -0.012 0.000 0.797 268 S CB -0.496 62.699 63.200 -0.010 0.000 0.891 268 S HN 0.751 nan 8.310 nan 0.000 0.474 269 G N 3.088 111.876 108.800 -0.020 0.000 2.556 269 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.215 269 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.215 269 G C -1.199 173.678 174.900 -0.038 0.000 1.258 269 G CA 1.051 46.135 45.100 -0.027 0.000 0.811 269 G HN 0.363 nan 8.290 nan 0.000 0.557 270 P HA -0.067 nan 4.420 nan 0.000 0.218 270 P C 0.870 178.136 177.300 -0.057 0.000 1.146 270 P CA 1.486 64.542 63.100 -0.073 0.000 0.820 270 P CB 0.047 31.700 31.700 -0.078 0.000 0.778 271 D N -1.315 119.062 120.400 -0.037 0.000 2.106 271 D HA -0.065 4.575 4.640 -0.000 0.000 0.203 271 D C 1.677 177.963 176.300 -0.023 0.000 0.977 271 D CA 0.900 54.885 54.000 -0.026 0.000 0.844 271 D CB -1.018 39.772 40.800 -0.016 0.000 1.002 271 D HN -0.068 nan 8.370 nan 0.000 0.461 272 V N 0.847 120.748 119.914 -0.022 0.000 3.488 272 V HA -0.074 4.046 4.120 -0.000 0.000 0.273 272 V C 2.061 178.140 176.094 -0.025 0.000 1.209 272 V CA 1.158 63.446 62.300 -0.020 0.000 1.179 272 V CB -0.413 31.399 31.823 -0.018 0.000 0.842 272 V HN 0.132 nan 8.190 nan 0.000 0.515 273 S N -0.364 115.316 115.700 -0.033 0.000 2.499 273 S HA 0.036 4.506 4.470 -0.000 0.000 0.225 273 S C 2.106 176.686 174.600 -0.034 0.000 1.050 273 S CA -0.007 58.168 58.200 -0.041 0.000 0.928 273 S CB 0.039 63.199 63.200 -0.066 0.000 0.803 273 S HN 0.518 nan 8.310 nan 0.000 0.506 274 R N 1.361 121.842 120.500 -0.031 0.000 2.066 274 R HA 0.025 4.365 4.340 -0.000 0.000 0.232 274 R C 2.095 178.391 176.300 -0.007 0.000 1.131 274 R CA 1.369 57.459 56.100 -0.017 0.000 0.955 274 R CB -0.600 29.690 30.300 -0.016 0.000 0.851 274 R HN 0.573 nan 8.270 nan 0.000 0.432 275 E N 0.064 120.257 120.200 -0.012 0.000 2.130 275 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 275 E C 2.060 178.648 176.600 -0.019 0.000 0.998 275 E CA 1.298 57.691 56.400 -0.012 0.000 0.806 275 E CB -0.292 29.400 29.700 -0.013 0.000 0.738 275 E HN 0.482 nan 8.360 nan 0.000 0.459 276 G N 1.283 110.071 108.800 -0.021 0.000 2.469 276 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 276 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 276 G C 1.762 176.645 174.900 -0.028 0.000 1.136 276 G CA 0.994 46.079 45.100 -0.025 0.000 0.759 276 G HN 0.161 nan 8.290 nan 0.000 0.562 277 V N 0.271 120.178 119.914 -0.011 0.000 2.407 277 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 277 V C 2.836 178.902 176.094 -0.048 0.000 1.055 277 V CA 2.111 64.406 62.300 -0.009 0.000 1.049 277 V CB -0.579 31.279 31.823 0.059 0.000 0.662 277 V HN 0.437 nan 8.190 nan 0.000 0.455 278 Q N -0.199 119.581 119.800 -0.034 0.000 2.084 278 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 278 Q C 2.540 178.498 176.000 -0.070 0.000 0.978 278 Q CA 1.547 57.322 55.803 -0.047 0.000 0.844 278 Q CB -0.195 28.527 28.738 -0.027 0.000 0.898 278 Q HN 0.617 nan 8.270 nan 0.000 0.426 279 R N 0.671 121.135 120.500 -0.060 0.000 2.073 279 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 279 R C 1.799 178.046 176.300 -0.088 0.000 1.134 279 R CA 1.513 57.573 56.100 -0.066 0.000 0.952 279 R CB -0.273 29.996 30.300 -0.051 0.000 0.850 279 R HN 0.240 nan 8.270 nan 0.000 0.433 280 D N 0.787 121.128 120.400 -0.097 0.000 2.221 280 D HA -0.144 4.496 4.640 -0.000 0.000 0.204 280 D C 1.795 177.995 176.300 -0.167 0.000 0.982 280 D CA 1.050 54.972 54.000 -0.129 0.000 0.857 280 D CB -0.058 40.651 40.800 -0.153 0.000 0.934 280 D HN 0.212 nan 8.370 nan 0.000 0.475 281 L N 0.045 121.164 121.223 -0.174 0.000 2.418 281 L HA 0.017 4.357 4.340 -0.000 0.000 0.218 281 L C 2.313 179.059 176.870 -0.207 0.000 1.125 281 L CA 0.003 54.723 54.840 -0.201 0.000 0.835 281 L CB -0.005 41.942 42.059 -0.187 0.000 0.953 281 L HN 0.055 nan 8.230 nan 0.000 0.454 282 L N 0.323 121.449 121.223 -0.163 0.000 1.997 282 L HA -0.227 4.113 4.340 -0.000 0.000 0.216 282 L C -0.125 176.651 176.870 -0.156 0.000 1.074 282 L CA 1.960 56.707 54.840 -0.155 0.000 0.763 282 L CB -1.842 40.151 42.059 -0.109 0.000 0.890 282 L HN 0.242 nan 8.230 nan 0.000 0.434 283 P HA -0.201 nan 4.420 nan 0.000 0.216 283 P C 1.902 179.135 177.300 -0.112 0.000 1.153 283 P CA 1.420 64.459 63.100 -0.103 0.000 0.858 283 P CB 0.035 31.686 31.700 -0.081 0.000 0.789 284 L N -0.981 120.158 121.223 -0.140 0.000 2.017 284 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 284 L C 2.332 179.051 176.870 -0.252 0.000 1.073 284 L CA 1.622 56.394 54.840 -0.113 0.000 0.745 284 L CB -1.387 40.621 42.059 -0.085 0.000 0.894 284 L HN -0.034 nan 8.230 nan 0.000 0.432 285 V N -3.561 116.056 119.914 -0.494 0.000 2.871 285 V HA -0.077 4.043 4.120 -0.000 0.000 0.256 285 V C 1.764 177.722 176.094 -0.225 0.000 1.082 285 V CA 1.101 63.068 62.300 -0.556 0.000 1.105 285 V CB -0.534 30.915 31.823 -0.624 0.000 0.713 285 V HN 0.422 nan 8.190 nan 0.000 0.473 286 E N 1.267 121.369 120.200 -0.163 0.000 2.447 286 E HA 0.395 4.745 4.350 -0.000 0.000 0.195 286 E C 1.043 177.600 176.600 -0.071 0.000 1.028 286 E CA 0.468 56.810 56.400 -0.098 0.000 0.876 286 E CB 0.403 30.050 29.700 -0.088 0.000 0.885 286 E HN 0.803 nan 8.360 nan 0.000 0.500 287 G N 1.556 110.315 108.800 -0.069 0.000 3.421 287 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.686 287 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.686 287 G C -0.312 174.557 174.900 -0.052 0.000 1.056 287 G CA -0.530 44.535 45.100 -0.058 0.000 0.891 287 G HN 0.341 nan 8.290 nan 0.000 0.514 288 C N 0.002 119.279 119.300 -0.039 0.000 3.293 288 C HA 0.963 5.422 4.460 -0.000 0.000 0.362 288 C C 0.180 175.158 174.990 -0.021 0.000 1.539 288 C CA -0.079 58.919 59.018 -0.033 0.000 1.201 288 C CB 1.611 29.330 27.740 -0.036 0.000 1.770 288 C HN 1.374 nan 8.230 nan 0.000 0.440 289 T N 1.104 115.649 114.554 -0.016 0.000 2.863 289 T HA 0.726 5.076 4.350 -0.000 0.000 0.285 289 T C -0.562 174.137 174.700 -0.001 0.000 1.009 289 T CA -0.247 61.849 62.100 -0.006 0.000 0.989 289 T CB 1.434 70.298 68.868 -0.008 0.000 1.004 289 T HN 1.903 nan 8.240 nan 0.000 0.455 290 V N 0.919 120.838 119.914 0.009 0.000 2.709 290 V HA 0.843 4.962 4.120 -0.000 0.000 0.308 290 V C -0.328 175.778 176.094 0.019 0.000 1.062 290 V CA -0.677 61.630 62.300 0.012 0.000 0.901 290 V CB 2.110 33.943 31.823 0.016 0.000 1.003 290 V HN 0.794 nan 8.190 nan 0.000 0.425 291 S N 3.733 119.443 115.700 0.017 0.000 2.513 291 S HA 0.769 5.239 4.470 -0.000 0.000 0.276 291 S C 0.063 174.680 174.600 0.028 0.000 1.254 291 S CA 0.364 58.576 58.200 0.020 0.000 1.053 291 S CB 0.342 63.549 63.200 0.011 0.000 0.958 291 S HN 1.661 nan 8.310 nan 0.000 0.491 292 T N 1.738 116.315 114.554 0.038 0.000 2.896 292 T HA 0.470 4.820 4.350 -0.000 0.000 0.297 292 T C 0.823 175.537 174.700 0.024 0.000 1.108 292 T CA -0.978 61.154 62.100 0.052 0.000 1.004 292 T CB 1.217 70.146 68.868 0.101 0.000 1.159 292 T HN 0.540 nan 8.240 nan 0.000 0.499 293 K N 0.123 120.509 120.400 -0.024 0.000 2.107 293 K HA -0.208 4.112 4.320 -0.000 0.000 0.211 293 K C 1.497 177.957 176.600 -0.233 0.000 1.049 293 K CA 1.978 58.165 56.287 -0.166 0.000 0.927 293 K CB -0.398 31.920 32.500 -0.304 0.000 0.714 293 K HN 0.631 nan 8.250 nan 0.000 0.452 294 H N -0.129 118.951 119.070 0.016 0.000 2.547 294 H HA 0.159 4.715 4.556 -0.000 0.000 0.274 294 H C 1.132 176.471 175.328 0.017 0.000 1.024 294 H CA 0.682 56.740 56.048 0.017 0.000 1.155 294 H CB 0.268 30.042 29.762 0.019 0.000 1.344 294 H HN 0.424 nan 8.280 nan 0.000 0.598 295 G N 0.647 109.492 108.800 0.076 0.000 2.352 295 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.324 295 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.324 295 G C -0.806 174.125 174.900 0.050 0.000 1.249 295 G CA -0.868 44.266 45.100 0.056 0.000 1.053 295 G HN 0.007 nan 8.290 nan 0.000 0.492 296 M N 0.620 120.244 119.600 0.040 0.000 2.144 296 M HA 0.583 5.063 4.480 -0.000 0.000 0.356 296 M C 0.103 176.426 176.300 0.037 0.000 1.217 296 M CA -0.607 54.712 55.300 0.032 0.000 1.087 296 M CB 0.780 33.392 32.600 0.021 0.000 1.609 296 M HN 0.436 nan 8.290 nan 0.000 0.467 297 V N 4.021 123.957 119.914 0.036 0.000 2.513 297 V HA 0.413 4.533 4.120 -0.000 0.000 0.299 297 V C 0.136 176.245 176.094 0.026 0.000 1.035 297 V CA -0.917 61.406 62.300 0.037 0.000 0.889 297 V CB 2.308 34.156 31.823 0.043 0.000 0.988 297 V HN 0.682 nan 8.190 nan 0.000 0.440 298 K N 1.933 122.347 120.400 0.023 0.000 2.213 298 K HA 0.336 4.656 4.320 -0.000 0.000 0.270 298 K C 0.924 177.525 176.600 0.003 0.000 1.002 298 K CA -0.099 56.191 56.287 0.004 0.000 0.868 298 K CB 1.597 34.095 32.500 -0.004 0.000 1.093 298 K HN 0.899 nan 8.250 nan 0.000 0.454 299 T N -0.750 113.806 114.554 0.004 0.000 3.100 299 T HA -0.028 4.322 4.350 -0.000 0.000 0.253 299 T C 0.698 175.402 174.700 0.006 0.000 1.118 299 T CA 0.400 62.526 62.100 0.042 0.000 1.058 299 T CB -0.021 68.910 68.868 0.104 0.000 0.953 299 T HN 0.465 nan 8.240 nan 0.000 0.515 300 D N 2.124 122.448 120.400 -0.127 0.000 2.244 300 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 300 D C 1.094 177.172 176.300 -0.370 0.000 1.006 300 D CA 1.562 55.383 54.000 -0.298 0.000 0.888 300 D CB -0.382 40.116 40.800 -0.504 0.000 0.912 300 D HN 0.750 nan 8.370 nan 0.000 0.452 301 H N -1.341 117.769 119.070 0.066 0.000 2.674 301 H HA 0.227 4.782 4.556 -0.000 0.000 0.274 301 H C 0.138 175.485 175.328 0.031 0.000 1.121 301 H CA -0.695 55.376 56.048 0.038 0.000 1.132 301 H CB 0.735 30.490 29.762 -0.012 0.000 1.606 301 H HN -0.017 nan 8.280 nan 0.000 0.558 302 I N 2.043 122.683 120.570 0.117 0.000 2.588 302 I HA -0.029 4.141 4.170 -0.000 0.000 0.283 302 I C 0.300 176.413 176.117 -0.007 0.000 1.119 302 I CA -0.544 60.754 61.300 -0.005 0.000 1.419 302 I CB 0.435 38.364 38.000 -0.118 0.000 1.394 302 I HN 0.135 nan 8.210 nan 0.000 0.562 303 L N 7.595 128.767 121.223 -0.086 0.000 2.290 303 L HA 0.441 4.781 4.340 -0.000 0.000 0.284 303 L C -1.025 175.728 176.870 -0.195 0.000 1.078 303 L CA 0.300 55.137 54.840 -0.004 0.000 0.815 303 L CB 0.337 42.425 42.059 0.049 0.000 1.162 303 L HN 0.208 nan 8.230 nan 0.000 0.435 304 F N 5.775 125.759 119.950 0.057 0.000 2.436 304 F HA 0.544 5.071 4.527 -0.000 0.000 0.340 304 F C 0.107 175.928 175.800 0.034 0.000 1.113 304 F CA -0.395 57.625 58.000 0.034 0.000 1.022 304 F CB 1.411 40.411 39.000 0.000 0.000 1.128 304 F HN 0.264 nan 8.300 nan 0.000 0.466 305 I N 3.686 124.338 120.570 0.137 0.000 2.495 305 I HA 0.422 4.592 4.170 -0.000 0.000 0.277 305 I C -0.394 175.590 176.117 -0.220 0.000 1.045 305 I CA -0.613 60.722 61.300 0.058 0.000 1.135 305 I CB 1.022 39.155 38.000 0.220 0.000 1.241 305 I HN 0.629 nan 8.210 nan 0.000 0.469 306 A N 4.360 127.106 122.820 -0.123 0.000 2.309 306 A HA 0.713 5.033 4.320 -0.000 0.000 0.298 306 A C 0.002 177.476 177.584 -0.184 0.000 1.165 306 A CA -0.203 51.723 52.037 -0.185 0.000 0.821 306 A CB 1.250 20.241 19.000 -0.014 0.000 1.102 306 A HN 0.601 nan 8.150 nan 0.000 0.500 307 S N 0.781 116.328 115.700 -0.255 0.000 2.689 307 S HA 0.923 5.393 4.470 -0.000 0.000 0.306 307 S C -0.195 174.438 174.600 0.055 0.000 1.104 307 S CA 0.116 58.289 58.200 -0.044 0.000 0.973 307 S CB 1.755 64.962 63.200 0.011 0.000 1.121 307 S HN 2.239 nan 8.310 nan 0.000 0.523 308 G N -0.248 108.624 108.800 0.120 0.000 2.429 308 G HA2 0.552 4.512 3.960 -0.000 0.000 0.300 308 G HA3 0.552 4.512 3.960 -0.000 0.000 0.300 308 G C 0.016 174.958 174.900 0.070 0.000 1.598 308 G CA 0.066 45.127 45.100 -0.065 0.000 0.863 308 G HN 1.082 nan 8.290 nan 0.000 0.614 309 A N 0.611 123.382 122.820 -0.082 0.000 1.984 309 A HA 0.514 4.834 4.320 -0.000 0.000 0.214 309 A C 1.266 178.924 177.584 0.124 0.000 1.173 309 A CA 1.107 53.165 52.037 0.035 0.000 0.673 309 A CB -0.571 18.421 19.000 -0.013 0.000 0.830 309 A HN 1.600 nan 8.150 nan 0.000 0.453 310 F N -0.621 119.342 119.950 0.021 0.000 3.079 310 F HA -0.284 4.242 4.527 -0.000 0.000 0.274 310 F C 1.554 177.362 175.800 0.013 0.000 0.940 310 F CA 0.993 59.002 58.000 0.015 0.000 0.932 310 F CB -1.660 37.348 39.000 0.014 0.000 0.891 310 F HN 0.292 nan 8.300 nan 0.000 0.722 311 Q N 0.046 119.901 119.800 0.091 0.000 2.123 311 Q HA -0.056 4.284 4.340 -0.000 0.000 0.199 311 Q C 2.423 178.459 176.000 0.059 0.000 0.966 311 Q CA 1.976 57.820 55.803 0.067 0.000 0.845 311 Q CB 0.011 28.767 28.738 0.030 0.000 0.907 311 Q HN 0.810 nan 8.270 nan 0.000 0.439 312 I N -2.388 118.207 120.570 0.041 0.000 2.368 312 I HA 0.202 4.372 4.170 -0.000 0.000 0.238 312 I C 1.269 177.429 176.117 0.072 0.000 1.076 312 I CA 0.364 61.686 61.300 0.037 0.000 1.397 312 I CB -0.490 37.515 38.000 0.009 0.000 1.141 312 I HN -0.139 nan 8.210 nan 0.000 0.430 313 A N 1.324 124.206 122.820 0.103 0.000 2.239 313 A HA 0.613 4.933 4.320 -0.000 0.000 0.303 313 A C -0.318 177.454 177.584 0.314 0.000 1.114 313 A CA -0.566 51.575 52.037 0.174 0.000 0.871 313 A CB 0.569 19.670 19.000 0.167 0.000 1.201 313 A HN 0.388 nan 8.150 nan 0.000 0.506 314 K N -0.296 120.245 120.400 0.235 0.000 2.318 314 K HA 0.389 4.709 4.320 -0.000 0.000 0.249 314 K C -2.401 174.156 176.600 -0.072 0.000 0.942 314 K CA -1.718 54.620 56.287 0.085 0.000 0.808 314 K CB 1.869 34.376 32.500 0.012 0.000 1.189 314 K HN 0.182 nan 8.250 nan 0.000 0.428 315 P HA -0.236 nan 4.420 nan 0.000 0.219 315 P C 0.893 178.090 177.300 -0.170 0.000 1.144 315 P CA 1.385 64.178 63.100 -0.512 0.000 0.806 315 P CB 0.156 31.503 31.700 -0.589 0.000 0.771 316 S N -2.189 113.443 115.700 -0.112 0.000 2.515 316 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 316 S C 1.384 175.976 174.600 -0.014 0.000 0.987 316 S CA 0.862 59.030 58.200 -0.053 0.000 0.936 316 S CB -0.744 62.430 63.200 -0.043 0.000 0.766 316 S HN 0.090 nan 8.310 nan 0.000 0.528 317 D N 1.201 121.610 120.400 0.016 0.000 2.348 317 D HA 0.275 4.915 4.640 -0.000 0.000 0.211 317 D C 0.776 177.105 176.300 0.048 0.000 0.998 317 D CA 0.036 54.062 54.000 0.044 0.000 0.873 317 D CB -0.120 40.730 40.800 0.084 0.000 0.925 317 D HN 0.410 nan 8.370 nan 0.000 0.524 318 L N 0.986 122.238 121.223 0.048 0.000 2.444 318 L HA 0.111 4.451 4.340 -0.000 0.000 0.251 318 L C 1.115 177.991 176.870 0.010 0.000 1.247 318 L CA -0.426 54.439 54.840 0.042 0.000 0.825 318 L CB 0.167 42.247 42.059 0.036 0.000 1.129 318 L HN -0.006 nan 8.230 nan 0.000 0.527 319 I N -2.419 118.151 120.570 -0.001 0.000 2.581 319 I HA 0.193 4.363 4.170 -0.000 0.000 0.288 319 I C -1.905 174.199 176.117 -0.021 0.000 1.047 319 I CA -1.870 59.422 61.300 -0.013 0.000 1.374 319 I CB 0.601 38.589 38.000 -0.021 0.000 1.423 319 I HN 0.340 nan 8.210 nan 0.000 0.549 320 P HA -0.222 nan 4.420 nan 0.000 0.217 320 P C 1.084 178.365 177.300 -0.031 0.000 1.162 320 P CA 1.829 64.914 63.100 -0.025 0.000 0.901 320 P CB 0.130 31.817 31.700 -0.022 0.000 0.793 321 E N -1.051 119.128 120.200 -0.036 0.000 2.097 321 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 321 E C 1.894 178.461 176.600 -0.055 0.000 1.000 321 E CA 0.952 57.325 56.400 -0.045 0.000 0.804 321 E CB -1.169 28.500 29.700 -0.050 0.000 0.740 321 E HN 0.115 nan 8.360 nan 0.000 0.454 322 L N 0.805 121.995 121.223 -0.055 0.000 2.027 322 L HA -0.176 4.163 4.340 -0.000 0.000 0.206 322 L C 2.104 178.945 176.870 -0.049 0.000 1.074 322 L CA 1.817 56.619 54.840 -0.064 0.000 0.745 322 L CB -0.566 41.462 42.059 -0.052 0.000 0.898 322 L HN 0.117 nan 8.230 nan 0.000 0.433 323 Q N -1.055 118.722 119.800 -0.038 0.000 2.152 323 Q HA -0.205 4.134 4.340 -0.000 0.000 0.206 323 Q C 2.050 178.029 176.000 -0.035 0.000 0.985 323 Q CA 1.492 57.273 55.803 -0.038 0.000 0.863 323 Q CB -0.556 28.160 28.738 -0.037 0.000 0.904 323 Q HN 0.692 nan 8.270 nan 0.000 0.422 324 G N 0.606 109.385 108.800 -0.035 0.000 2.421 324 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 324 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 324 G C 1.372 176.255 174.900 -0.029 0.000 1.171 324 G CA 0.261 45.343 45.100 -0.030 0.000 0.775 324 G HN 0.123 nan 8.290 nan 0.000 0.543 325 R N -0.095 120.379 120.500 -0.043 0.000 2.319 325 R HA 0.218 4.558 4.340 -0.000 0.000 0.204 325 R C 0.381 176.666 176.300 -0.025 0.000 0.954 325 R CA 0.083 56.156 56.100 -0.044 0.000 1.066 325 R CB -0.136 30.110 30.300 -0.091 0.000 0.991 325 R HN 0.341 nan 8.270 nan 0.000 0.486 326 L N 2.220 123.431 121.223 -0.019 0.000 2.935 326 L HA 0.221 4.561 4.340 -0.000 0.000 0.243 326 L C -1.384 175.487 176.870 0.001 0.000 1.313 326 L CA -1.226 53.614 54.840 -0.000 0.000 0.969 326 L CB 1.122 43.176 42.059 -0.008 0.000 1.320 326 L HN -0.167 nan 8.230 nan 0.000 0.511 327 P HA -0.199 nan 4.420 nan 0.000 0.216 327 P C 0.695 178.001 177.300 0.010 0.000 1.157 327 P CA 1.367 64.472 63.100 0.009 0.000 0.880 327 P CB 0.455 32.166 31.700 0.018 0.000 0.791 328 I N 0.809 121.393 120.570 0.023 0.000 2.371 328 I HA 0.171 4.341 4.170 -0.000 0.000 0.290 328 I C 0.816 176.943 176.117 0.018 0.000 1.028 328 I CA -0.436 60.879 61.300 0.025 0.000 1.345 328 I CB 0.586 38.612 38.000 0.042 0.000 1.407 328 I HN -0.174 nan 8.210 nan 0.000 0.501 329 R N 5.800 126.304 120.500 0.006 0.000 2.534 329 R HA 0.729 5.069 4.340 -0.000 0.000 0.301 329 R C -1.243 175.062 176.300 0.008 0.000 0.961 329 R CA -0.851 55.245 56.100 -0.007 0.000 0.871 329 R CB 2.405 32.681 30.300 -0.039 0.000 1.170 329 R HN 0.423 nan 8.270 nan 0.000 0.446 330 V N 2.030 121.958 119.914 0.022 0.000 2.932 330 V HA 0.363 4.483 4.120 -0.000 0.000 0.307 330 V C -1.130 174.992 176.094 0.047 0.000 1.147 330 V CA -0.683 61.639 62.300 0.035 0.000 0.951 330 V CB 2.612 34.465 31.823 0.051 0.000 1.031 330 V HN 0.741 nan 8.190 nan 0.000 0.426 331 E N 5.552 125.778 120.200 0.044 0.000 2.133 331 E HA 0.508 4.857 4.350 -0.000 0.000 0.274 331 E C -1.413 175.224 176.600 0.062 0.000 0.930 331 E CA -0.652 55.781 56.400 0.055 0.000 0.770 331 E CB 2.093 31.818 29.700 0.041 0.000 1.104 331 E HN 0.446 nan 8.360 nan 0.000 0.403 332 L N 2.705 123.974 121.223 0.078 0.000 2.357 332 L HA 0.228 4.568 4.340 -0.000 0.000 0.273 332 L C 0.105 177.017 176.870 0.069 0.000 1.080 332 L CA -0.273 54.612 54.840 0.076 0.000 0.803 332 L CB 0.673 42.788 42.059 0.093 0.000 1.174 332 L HN 0.425 nan 8.230 nan 0.000 0.443 333 Q N 0.962 120.798 119.800 0.061 0.000 2.241 333 Q HA 0.754 5.094 4.340 -0.000 0.000 0.262 333 Q C -0.360 175.675 176.000 0.057 0.000 1.014 333 Q CA -0.730 55.105 55.803 0.054 0.000 0.885 333 Q CB 1.400 30.165 28.738 0.044 0.000 1.311 333 Q HN 0.711 nan 8.270 nan 0.000 0.461 334 A N 1.405 124.256 122.820 0.052 0.000 2.531 334 A HA 0.252 4.572 4.320 -0.000 0.000 0.236 334 A C -0.483 177.130 177.584 0.048 0.000 1.062 334 A CA -0.144 51.923 52.037 0.050 0.000 0.760 334 A CB -0.172 18.852 19.000 0.040 0.000 0.995 334 A HN 0.650 nan 8.150 nan 0.000 0.501 335 L N 1.558 122.807 121.223 0.043 0.000 2.418 335 L HA 0.445 4.785 4.340 -0.000 0.000 0.265 335 L C 1.027 177.843 176.870 -0.090 0.000 1.143 335 L CA -0.360 54.479 54.840 -0.002 0.000 0.809 335 L CB 1.201 43.309 42.059 0.082 0.000 1.124 335 L HN 0.918 nan 8.230 nan 0.000 0.456 336 T N -3.388 111.081 114.554 -0.141 0.000 2.950 336 T HA 0.241 4.591 4.350 -0.000 0.000 0.288 336 T C 1.008 175.490 174.700 -0.363 0.000 1.035 336 T CA -0.566 61.432 62.100 -0.170 0.000 1.028 336 T CB 1.548 70.332 68.868 -0.140 0.000 1.109 336 T HN 0.616 nan 8.240 nan 0.000 0.514 337 T N 1.351 115.641 114.554 -0.439 0.000 2.721 337 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 337 T C 2.299 176.926 174.700 -0.122 0.000 1.038 337 T CA 1.998 63.912 62.100 -0.310 0.000 1.145 337 T CB -0.845 67.774 68.868 -0.415 0.000 0.858 337 T HN 0.861 nan 8.240 nan 0.000 0.459 338 S N 2.173 117.791 115.700 -0.138 0.000 2.368 338 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 338 S C 1.708 176.309 174.600 0.002 0.000 1.030 338 S CA 1.213 59.378 58.200 -0.058 0.000 0.999 338 S CB -0.591 62.568 63.200 -0.069 0.000 0.844 338 S HN 0.369 nan 8.310 nan 0.000 0.459 339 D N 1.216 121.608 120.400 -0.012 0.000 2.116 339 D HA -0.064 4.576 4.640 -0.000 0.000 0.193 339 D C 1.703 178.130 176.300 0.211 0.000 0.998 339 D CA 1.041 55.080 54.000 0.065 0.000 0.836 339 D CB -0.454 40.367 40.800 0.035 0.000 0.951 339 D HN 0.324 nan 8.370 nan 0.000 0.449 340 F N 1.887 121.858 119.950 0.035 0.000 2.095 340 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 340 F C 2.379 178.179 175.800 -0.001 0.000 1.104 340 F CA 0.820 58.836 58.000 0.027 0.000 1.232 340 F CB -0.991 38.045 39.000 0.061 0.000 0.987 340 F HN 0.109 nan 8.300 nan 0.000 0.475 341 E N -0.142 120.172 120.200 0.190 0.000 2.077 341 E HA -0.215 4.134 4.350 -0.000 0.000 0.193 341 E C 2.306 178.936 176.600 0.049 0.000 0.989 341 E CA 1.133 57.582 56.400 0.082 0.000 0.800 341 E CB -0.364 29.364 29.700 0.047 0.000 0.746 341 E HN 0.421 nan 8.360 nan 0.000 0.452 342 R N 0.748 121.283 120.500 0.059 0.000 2.075 342 R HA -0.103 4.237 4.340 -0.000 0.000 0.230 342 R C 2.585 178.907 176.300 0.036 0.000 1.140 342 R CA 1.367 57.489 56.100 0.037 0.000 0.928 342 R CB -0.571 29.752 30.300 0.037 0.000 0.834 342 R HN 0.140 nan 8.270 nan 0.000 0.429 343 I N 0.983 121.595 120.570 0.070 0.000 2.229 343 I HA -0.339 3.831 4.170 -0.000 0.000 0.250 343 I C 2.178 178.300 176.117 0.008 0.000 1.096 343 I CA 0.961 62.294 61.300 0.054 0.000 1.358 343 I CB -0.258 37.794 38.000 0.086 0.000 1.047 343 I HN 0.177 nan 8.210 nan 0.000 0.422 344 L N 0.279 121.494 121.223 -0.012 0.000 2.083 344 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 344 L C 2.460 179.274 176.870 -0.093 0.000 1.083 344 L CA 2.682 57.478 54.840 -0.073 0.000 0.752 344 L CB -1.186 40.817 42.059 -0.094 0.000 0.899 344 L HN 0.523 nan 8.230 nan 0.000 0.433 345 T N -7.161 107.357 114.554 -0.060 0.000 3.010 345 T HA 0.096 4.446 4.350 -0.000 0.000 0.252 345 T C 1.479 176.161 174.700 -0.029 0.000 0.963 345 T CA -0.009 62.057 62.100 -0.057 0.000 0.952 345 T CB 0.045 68.879 68.868 -0.057 0.000 1.182 345 T HN 0.201 nan 8.240 nan 0.000 0.495 346 E N 2.111 122.300 120.200 -0.020 0.000 2.047 346 E HA 0.075 4.425 4.350 -0.000 0.000 0.191 346 E C -1.563 175.018 176.600 -0.031 0.000 0.987 346 E CA 0.306 56.694 56.400 -0.020 0.000 0.799 346 E CB -1.328 28.364 29.700 -0.013 0.000 0.752 346 E HN 0.450 nan 8.360 nan 0.000 0.449 347 P HA -0.084 nan 4.420 nan 0.000 0.269 347 P C -0.063 177.207 177.300 -0.050 0.000 1.205 347 P CA 0.436 63.515 63.100 -0.035 0.000 0.780 347 P CB 0.444 32.152 31.700 0.012 0.000 0.858 348 N N 0.672 119.311 118.700 -0.102 0.000 2.006 348 N HA -0.162 4.578 4.740 -0.000 0.000 0.193 348 N C 0.657 176.164 175.510 -0.005 0.000 1.090 348 N CA 1.033 54.037 53.050 -0.076 0.000 0.883 348 N CB -0.496 37.914 38.487 -0.128 0.000 1.063 348 N HN 0.422 nan 8.380 nan 0.000 0.430 349 A N 1.596 124.439 122.820 0.038 0.000 3.048 349 A HA 0.166 4.486 4.320 -0.000 0.000 0.264 349 A C 0.286 177.886 177.584 0.026 0.000 1.796 349 A CA -0.273 51.783 52.037 0.030 0.000 1.445 349 A CB -0.828 18.192 19.000 0.034 0.000 1.074 349 A HN 0.435 nan 8.150 nan 0.000 0.621 350 S N 0.893 116.602 115.700 0.014 0.000 2.576 350 S HA 0.168 4.638 4.470 -0.000 0.000 0.272 350 S C 1.356 175.963 174.600 0.011 0.000 1.352 350 S CA 0.066 58.270 58.200 0.008 0.000 1.021 350 S CB 0.126 63.316 63.200 -0.015 0.000 0.887 350 S HN 1.009 nan 8.310 nan 0.000 0.542 351 I N -1.007 119.573 120.570 0.016 0.000 2.423 351 I HA -0.131 4.039 4.170 -0.000 0.000 0.254 351 I C 1.917 178.064 176.117 0.051 0.000 1.151 351 I CA 1.703 63.029 61.300 0.044 0.000 1.421 351 I CB -1.288 36.761 38.000 0.081 0.000 1.079 351 I HN 0.637 nan 8.210 nan 0.000 0.431 352 T N 1.514 116.038 114.554 -0.051 0.000 2.698 352 T HA -0.055 4.294 4.350 -0.000 0.000 0.260 352 T C 2.047 176.785 174.700 0.062 0.000 1.044 352 T CA 1.891 63.906 62.100 -0.142 0.000 1.149 352 T CB -0.226 68.455 68.868 -0.312 0.000 0.864 352 T HN 0.252 nan 8.240 nan 0.000 0.419 353 V N 1.796 121.734 119.914 0.040 0.000 2.407 353 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 353 V C 2.544 178.684 176.094 0.077 0.000 1.055 353 V CA 1.627 63.966 62.300 0.066 0.000 1.049 353 V CB -0.710 31.132 31.823 0.032 0.000 0.662 353 V HN 0.541 nan 8.190 nan 0.000 0.455 354 Q N -1.540 118.297 119.800 0.062 0.000 2.167 354 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 354 Q C 2.169 178.188 176.000 0.031 0.000 0.970 354 Q CA 1.787 57.608 55.803 0.030 0.000 0.855 354 Q CB -0.198 28.542 28.738 0.004 0.000 0.911 354 Q HN 0.715 nan 8.270 nan 0.000 0.438 355 Y N 1.565 121.893 120.300 0.048 0.000 2.153 355 Y HA -0.146 4.404 4.550 -0.000 0.000 0.289 355 Y C 2.085 178.037 175.900 0.087 0.000 1.127 355 Y CA 1.324 59.472 58.100 0.081 0.000 1.131 355 Y CB 0.158 38.705 38.460 0.145 0.000 0.995 355 Y HN -0.101 nan 8.280 nan 0.000 0.505 356 K N -0.315 120.277 120.400 0.320 0.000 2.044 356 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 356 K C 2.283 178.942 176.600 0.099 0.000 1.049 356 K CA 1.355 57.765 56.287 0.205 0.000 0.927 356 K CB -0.497 32.111 32.500 0.180 0.000 0.713 356 K HN 0.358 nan 8.250 nan 0.000 0.443 357 A N 1.642 124.500 122.820 0.063 0.000 1.865 357 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 357 A C 2.203 179.782 177.584 -0.009 0.000 1.191 357 A CA 1.511 53.559 52.037 0.018 0.000 0.623 357 A CB -0.839 18.164 19.000 0.005 0.000 0.826 357 A HN 0.180 nan 8.150 nan 0.000 0.444 358 L N -1.149 120.046 121.223 -0.047 0.000 2.012 358 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 358 L C 2.865 179.706 176.870 -0.047 0.000 1.073 358 L CA 1.454 56.243 54.840 -0.084 0.000 0.748 358 L CB -0.559 41.383 42.059 -0.195 0.000 0.891 358 L HN 0.347 nan 8.230 nan 0.000 0.431 359 M N -0.495 119.100 119.600 -0.008 0.000 2.202 359 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 359 M C 2.526 178.833 176.300 0.012 0.000 1.063 359 M CA 1.861 57.179 55.300 0.031 0.000 1.097 359 M CB -1.390 31.271 32.600 0.103 0.000 1.382 359 M HN 0.329 nan 8.290 nan 0.000 0.413 360 A N -0.460 122.367 122.820 0.012 0.000 2.019 360 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 360 A C 2.284 179.865 177.584 -0.007 0.000 1.164 360 A CA 1.989 54.028 52.037 0.003 0.000 0.644 360 A CB -1.027 17.978 19.000 0.007 0.000 0.805 360 A HN 0.471 nan 8.150 nan 0.000 0.449 361 T N 0.042 114.589 114.554 -0.013 0.000 2.881 361 T HA -0.069 4.280 4.350 -0.000 0.000 0.270 361 T C 1.333 176.021 174.700 -0.019 0.000 1.068 361 T CA 1.377 63.466 62.100 -0.019 0.000 1.131 361 T CB -0.136 68.716 68.868 -0.027 0.000 0.871 361 T HN 0.465 nan 8.240 nan 0.000 0.479 362 E N 0.011 120.201 120.200 -0.017 0.000 2.465 362 E HA 0.226 4.576 4.350 -0.000 0.000 0.191 362 E C 1.536 178.126 176.600 -0.016 0.000 1.053 362 E CA 0.239 56.627 56.400 -0.019 0.000 0.869 362 E CB 0.156 29.845 29.700 -0.019 0.000 0.977 362 E HN 0.537 nan 8.360 nan 0.000 0.483 363 G N 0.970 109.762 108.800 -0.013 0.000 2.148 363 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.254 363 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.254 363 G C 0.400 175.292 174.900 -0.013 0.000 0.981 363 G CA 0.454 45.547 45.100 -0.013 0.000 0.670 363 G HN 0.178 nan 8.290 nan 0.000 0.528 364 V N 0.870 120.777 119.914 -0.011 0.000 2.481 364 V HA 0.432 4.551 4.120 -0.000 0.000 0.286 364 V C 0.570 176.653 176.094 -0.018 0.000 1.042 364 V CA -0.574 61.716 62.300 -0.016 0.000 0.928 364 V CB 1.854 33.668 31.823 -0.014 0.000 0.986 364 V HN 0.416 nan 8.190 nan 0.000 0.462 365 N N 4.639 123.319 118.700 -0.033 0.000 2.546 365 N HA 0.297 5.037 4.740 -0.000 0.000 0.238 365 N C -1.012 174.451 175.510 -0.078 0.000 0.984 365 N CA -0.682 52.346 53.050 -0.038 0.000 0.935 365 N CB 0.577 39.044 38.487 -0.034 0.000 1.122 365 N HN 0.441 nan 8.380 nan 0.000 0.510 366 I N 2.288 122.808 120.570 -0.083 0.000 2.472 366 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 366 I C 0.338 176.329 176.117 -0.209 0.000 1.016 366 I CA -0.119 61.061 61.300 -0.200 0.000 1.348 366 I CB 1.244 39.127 38.000 -0.195 0.000 1.417 366 I HN 0.503 nan 8.210 nan 0.000 0.521 367 E N 4.997 124.985 120.200 -0.353 0.000 2.292 367 E HA 0.432 4.782 4.350 -0.000 0.000 0.272 367 E C -1.649 174.714 176.600 -0.395 0.000 0.881 367 E CA -0.532 55.729 56.400 -0.231 0.000 0.754 367 E CB 2.447 32.077 29.700 -0.118 0.000 1.201 367 E HN 0.214 nan 8.360 nan 0.000 0.425 368 F N 0.980 120.898 119.950 -0.054 0.000 2.411 368 F HA 0.243 4.770 4.527 -0.000 0.000 0.352 368 F C 0.916 176.697 175.800 -0.031 0.000 1.123 368 F CA -0.491 57.476 58.000 -0.054 0.000 1.044 368 F CB 1.684 40.656 39.000 -0.047 0.000 1.135 368 F HN 0.175 nan 8.300 nan 0.000 0.461 369 T N 2.593 117.216 114.554 0.116 0.000 2.930 369 T HA -0.029 4.321 4.350 -0.000 0.000 0.306 369 T C 0.795 175.554 174.700 0.097 0.000 1.045 369 T CA -0.026 62.121 62.100 0.078 0.000 1.134 369 T CB 0.580 69.480 68.868 0.053 0.000 0.961 369 T HN 0.551 nan 8.240 nan 0.000 0.545 370 D N 1.398 121.837 120.400 0.065 0.000 2.149 370 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 370 D C 2.098 178.429 176.300 0.051 0.000 0.990 370 D CA 1.273 55.304 54.000 0.052 0.000 0.839 370 D CB 0.036 40.856 40.800 0.033 0.000 0.948 370 D HN 0.355 nan 8.370 nan 0.000 0.460 371 S N -0.844 114.887 115.700 0.051 0.000 2.406 371 S HA -0.001 4.469 4.470 -0.000 0.000 0.228 371 S C 2.035 176.677 174.600 0.071 0.000 1.020 371 S CA 0.872 59.102 58.200 0.050 0.000 0.965 371 S CB -0.337 62.889 63.200 0.043 0.000 0.798 371 S HN 0.403 nan 8.310 nan 0.000 0.488 372 G N 2.340 111.196 108.800 0.094 0.000 2.446 372 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 372 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 372 G C 1.264 176.242 174.900 0.130 0.000 1.168 372 G CA 0.725 45.905 45.100 0.134 0.000 0.771 372 G HN 0.422 nan 8.290 nan 0.000 0.551 373 I N 0.989 121.624 120.570 0.108 0.000 2.361 373 I HA -0.106 4.064 4.170 -0.000 0.000 0.251 373 I C 2.488 178.629 176.117 0.040 0.000 1.133 373 I CA 1.367 62.689 61.300 0.037 0.000 1.413 373 I CB -0.730 37.273 38.000 0.006 0.000 1.073 373 I HN 0.240 nan 8.210 nan 0.000 0.424 374 K N 0.851 121.280 120.400 0.049 0.000 2.062 374 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 374 K C 2.222 178.856 176.600 0.057 0.000 1.051 374 K CA 0.974 57.287 56.287 0.044 0.000 0.941 374 K CB 0.044 32.562 32.500 0.029 0.000 0.719 374 K HN -0.107 nan 8.250 nan 0.000 0.440 375 R N 0.734 121.273 120.500 0.066 0.000 2.120 375 R HA 0.004 4.344 4.340 -0.000 0.000 0.234 375 R C 1.948 178.302 176.300 0.089 0.000 1.123 375 R CA 1.247 57.393 56.100 0.075 0.000 0.975 375 R CB -0.405 29.945 30.300 0.083 0.000 0.866 375 R HN 0.312 nan 8.270 nan 0.000 0.446 376 I N -0.497 120.124 120.570 0.084 0.000 2.110 376 I HA -0.252 3.918 4.170 -0.000 0.000 0.236 376 I C 2.287 178.464 176.117 0.099 0.000 1.068 376 I CA 1.350 62.694 61.300 0.074 0.000 1.333 376 I CB -0.606 37.413 38.000 0.032 0.000 1.054 376 I HN 0.182 nan 8.210 nan 0.000 0.402 377 A N 0.674 123.564 122.820 0.117 0.000 1.927 377 A HA -0.291 4.028 4.320 -0.000 0.000 0.220 377 A C 2.170 179.943 177.584 0.316 0.000 1.185 377 A CA 2.203 54.387 52.037 0.246 0.000 0.639 377 A CB -0.811 18.333 19.000 0.240 0.000 0.820 377 A HN 0.527 nan 8.150 nan 0.000 0.451 378 E N -0.538 119.776 120.200 0.189 0.000 2.110 378 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 378 E C 2.361 179.099 176.600 0.231 0.000 0.988 378 E CA 0.892 57.397 56.400 0.175 0.000 0.804 378 E CB -0.301 29.448 29.700 0.082 0.000 0.745 378 E HN 0.658 nan 8.360 nan 0.000 0.458 379 A N 1.684 124.609 122.820 0.176 0.000 1.877 379 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 379 A C 2.421 180.110 177.584 0.173 0.000 1.186 379 A CA 1.710 53.837 52.037 0.151 0.000 0.620 379 A CB -0.767 18.298 19.000 0.108 0.000 0.822 379 A HN 0.291 nan 8.150 nan 0.000 0.443 380 A N -0.761 122.166 122.820 0.178 0.000 1.851 380 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 380 A C 2.122 179.881 177.584 0.291 0.000 1.195 380 A CA 1.695 53.826 52.037 0.157 0.000 0.622 380 A CB -1.220 17.798 19.000 0.031 0.000 0.831 380 A HN 0.892 nan 8.150 nan 0.000 0.444 381 W N 1.019 122.498 121.300 0.298 0.000 2.301 381 W HA -0.340 4.320 4.660 -0.000 0.000 0.325 381 W C 2.142 178.728 176.519 0.111 0.000 1.250 381 W CA 3.006 60.482 57.345 0.218 0.000 1.261 381 W CB -0.861 28.655 29.460 0.093 0.000 1.157 381 W HN 0.543 nan 8.180 nan 0.000 0.473 382 Q N 0.845 120.893 119.800 0.413 0.000 2.047 382 Q HA -0.250 4.090 4.340 -0.000 0.000 0.211 382 Q C 2.082 178.116 176.000 0.057 0.000 1.005 382 Q CA 3.722 59.676 55.803 0.252 0.000 0.866 382 Q CB -1.052 27.818 28.738 0.220 0.000 0.938 382 Q HN 0.190 nan 8.270 nan 0.000 0.414 383 V N 1.097 121.047 119.914 0.059 0.000 2.287 383 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 383 V C 2.142 178.208 176.094 -0.046 0.000 1.053 383 V CA 2.253 64.562 62.300 0.015 0.000 1.027 383 V CB -1.032 30.809 31.823 0.031 0.000 0.646 383 V HN 0.503 nan 8.190 nan 0.000 0.447 384 N N -0.140 118.514 118.700 -0.076 0.000 2.192 384 N HA -0.270 4.470 4.740 -0.000 0.000 0.188 384 N C 1.929 177.304 175.510 -0.225 0.000 1.013 384 N CA 1.437 54.405 53.050 -0.138 0.000 0.863 384 N CB -0.043 38.357 38.487 -0.145 0.000 0.990 384 N HN 0.598 nan 8.380 nan 0.000 0.430 385 E N 0.654 120.669 120.200 -0.309 0.000 2.170 385 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 385 E C 1.602 178.130 176.600 -0.119 0.000 0.981 385 E CA 1.064 57.289 56.400 -0.292 0.000 0.830 385 E CB 0.005 29.481 29.700 -0.374 0.000 0.775 385 E HN 0.267 nan 8.360 nan 0.000 0.470 386 S N -1.659 114.001 115.700 -0.066 0.000 2.556 386 S HA 0.127 4.597 4.470 -0.000 0.000 0.216 386 S C 1.145 175.733 174.600 -0.020 0.000 0.970 386 S CA 0.422 58.609 58.200 -0.022 0.000 0.912 386 S CB 0.098 63.304 63.200 0.009 0.000 0.790 386 S HN 0.368 nan 8.310 nan 0.000 0.504 387 T N -1.074 113.459 114.554 -0.036 0.000 2.709 387 T HA 0.448 4.798 4.350 -0.000 0.000 0.147 387 T C -0.962 173.713 174.700 -0.042 0.000 0.821 387 T CA -0.209 61.875 62.100 -0.027 0.000 0.830 387 T CB 0.101 68.959 68.868 -0.016 0.000 2.347 387 T HN 0.103 nan 8.240 nan 0.000 0.351 388 E N 1.941 122.113 120.200 -0.047 0.000 2.199 388 E HA 0.479 4.829 4.350 -0.000 0.000 0.265 388 E C -1.320 175.243 176.600 -0.062 0.000 0.882 388 E CA -0.614 55.756 56.400 -0.050 0.000 0.759 388 E CB 1.233 30.907 29.700 -0.044 0.000 1.148 388 E HN 0.446 nan 8.360 nan 0.000 0.412 389 N N 4.539 123.194 118.700 -0.074 0.000 2.401 389 N HA 0.104 4.844 4.740 -0.000 0.000 0.255 389 N C 0.085 175.568 175.510 -0.046 0.000 1.110 389 N CA 0.010 53.008 53.050 -0.087 0.000 0.949 389 N CB 0.388 38.802 38.487 -0.123 0.000 1.110 389 N HN 0.670 nan 8.380 nan 0.000 0.490 390 I N 0.906 121.458 120.570 -0.030 0.000 3.856 390 I HA 0.439 4.609 4.170 -0.000 0.000 0.330 390 I C 0.884 177.006 176.117 0.007 0.000 1.546 390 I CA -0.539 60.753 61.300 -0.013 0.000 1.132 390 I CB 0.018 38.004 38.000 -0.023 0.000 1.157 390 I HN 0.487 nan 8.210 nan 0.000 0.440 391 G N 1.963 110.794 108.800 0.051 0.000 2.601 391 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.252 391 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.252 391 G C 0.830 175.783 174.900 0.089 0.000 1.294 391 G CA 0.432 45.617 45.100 0.142 0.000 0.912 391 G HN 0.769 nan 8.290 nan 0.000 0.574 392 A N -0.543 122.316 122.820 0.066 0.000 2.084 392 A HA -0.098 4.222 4.320 -0.000 0.000 0.221 392 A C 2.414 179.711 177.584 -0.479 0.000 1.161 392 A CA 2.358 54.221 52.037 -0.291 0.000 0.653 392 A CB -0.467 18.482 19.000 -0.084 0.000 0.802 392 A HN 0.786 nan 8.150 nan 0.000 0.457 393 R N -1.147 119.183 120.500 -0.284 0.000 2.117 393 R HA -0.213 4.127 4.340 -0.000 0.000 0.243 393 R C 2.323 178.381 176.300 -0.403 0.000 1.143 393 R CA 1.588 57.497 56.100 -0.317 0.000 0.968 393 R CB -0.339 29.920 30.300 -0.070 0.000 0.863 393 R HN 0.408 nan 8.270 nan 0.000 0.444 394 R N 1.499 121.818 120.500 -0.301 0.000 2.103 394 R HA -0.111 4.229 4.340 -0.000 0.000 0.242 394 R C 1.971 178.096 176.300 -0.292 0.000 1.142 394 R CA 1.501 57.464 56.100 -0.229 0.000 0.960 394 R CB -0.840 29.370 30.300 -0.151 0.000 0.858 394 R HN 0.267 nan 8.270 nan 0.000 0.439 395 L N -0.211 120.712 121.223 -0.499 0.000 2.089 395 L HA -0.297 4.043 4.340 -0.000 0.000 0.213 395 L C 2.415 179.162 176.870 -0.205 0.000 1.079 395 L CA 1.728 56.325 54.840 -0.406 0.000 0.758 395 L CB -0.785 40.962 42.059 -0.519 0.000 0.891 395 L HN 0.375 nan 8.230 nan 0.000 0.433 396 H N -0.632 118.386 119.070 -0.088 0.000 2.293 396 H HA -0.121 4.435 4.556 -0.000 0.000 0.300 396 H C 2.386 177.715 175.328 0.002 0.000 1.082 396 H CA 1.930 57.960 56.048 -0.029 0.000 1.308 396 H CB -1.089 28.660 29.762 -0.023 0.000 1.375 396 H HN 0.324 nan 8.280 nan 0.000 0.495 397 T N 1.184 115.800 114.554 0.104 0.000 2.720 397 T HA -0.093 4.256 4.350 -0.000 0.000 0.268 397 T C 2.468 177.204 174.700 0.060 0.000 1.037 397 T CA 1.414 63.559 62.100 0.074 0.000 1.144 397 T CB -0.596 68.297 68.868 0.043 0.000 0.864 397 T HN 0.078 nan 8.240 nan 0.000 0.444 398 V N 1.496 121.426 119.914 0.027 0.000 2.307 398 V HA -0.057 4.063 4.120 -0.000 0.000 0.245 398 V C 2.482 178.601 176.094 0.042 0.000 1.045 398 V CA 1.143 63.462 62.300 0.031 0.000 1.024 398 V CB -0.654 31.173 31.823 0.007 0.000 0.651 398 V HN 0.410 nan 8.190 nan 0.000 0.449 399 L N -0.201 121.041 121.223 0.031 0.000 2.079 399 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 399 L C 2.742 179.649 176.870 0.061 0.000 1.081 399 L CA 1.837 56.692 54.840 0.024 0.000 0.752 399 L CB -0.452 41.624 42.059 0.029 0.000 0.896 399 L HN 0.415 nan 8.230 nan 0.000 0.433 400 E N -0.101 120.180 120.200 0.135 0.000 2.028 400 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 400 E C 2.080 178.761 176.600 0.135 0.000 0.988 400 E CA 1.052 57.564 56.400 0.187 0.000 0.799 400 E CB -0.240 29.559 29.700 0.164 0.000 0.755 400 E HN 0.342 nan 8.360 nan 0.000 0.447 401 R N 1.290 121.853 120.500 0.105 0.000 2.094 401 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 401 R C 2.390 178.751 176.300 0.102 0.000 1.137 401 R CA 1.438 57.598 56.100 0.100 0.000 0.943 401 R CB -1.123 29.231 30.300 0.089 0.000 0.850 401 R HN 0.192 nan 8.270 nan 0.000 0.433 402 L N 0.039 121.311 121.223 0.081 0.000 1.991 402 L HA -0.164 4.176 4.340 -0.000 0.000 0.221 402 L C 1.586 178.462 176.870 0.010 0.000 1.079 402 L CA 2.107 56.985 54.840 0.063 0.000 0.778 402 L CB -0.405 41.688 42.059 0.057 0.000 0.893 402 L HN 0.341 nan 8.230 nan 0.000 0.437 403 M N -0.698 118.881 119.600 -0.034 0.000 2.581 403 M HA 0.067 4.547 4.480 -0.000 0.000 0.224 403 M C 1.579 177.945 176.300 0.110 0.000 1.171 403 M CA 0.352 55.611 55.300 -0.070 0.000 0.993 403 M CB -0.800 31.530 32.600 -0.450 0.000 1.685 403 M HN 0.383 nan 8.290 nan 0.000 0.479 404 E N 1.116 121.396 120.200 0.133 0.000 2.046 404 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 404 E C 1.490 178.198 176.600 0.181 0.000 0.982 404 E CA 1.101 57.601 56.400 0.165 0.000 0.800 404 E CB 0.064 29.841 29.700 0.130 0.000 0.756 404 E HN 0.620 nan 8.360 nan 0.000 0.449 405 E N 0.704 121.010 120.200 0.176 0.000 2.110 405 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 405 E C 2.187 178.913 176.600 0.211 0.000 0.988 405 E CA 0.738 57.260 56.400 0.204 0.000 0.804 405 E CB -0.060 29.783 29.700 0.238 0.000 0.745 405 E HN 0.266 nan 8.360 nan 0.000 0.458 406 I N 0.457 121.127 120.570 0.167 0.000 2.202 406 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 406 I C 2.675 178.879 176.117 0.144 0.000 1.091 406 I CA 0.759 62.131 61.300 0.120 0.000 1.368 406 I CB -0.319 37.698 38.000 0.029 0.000 1.058 406 I HN 0.078 nan 8.210 nan 0.000 0.410 407 S N 0.075 115.893 115.700 0.197 0.000 2.387 407 S HA -0.282 4.188 4.470 -0.000 0.000 0.230 407 S C 2.123 176.828 174.600 0.174 0.000 1.035 407 S CA 1.615 59.938 58.200 0.204 0.000 1.014 407 S CB -0.397 62.955 63.200 0.253 0.000 0.836 407 S HN 0.492 nan 8.310 nan 0.000 0.466 408 Y N 1.642 121.987 120.300 0.076 0.000 2.243 408 Y HA 0.034 4.584 4.550 -0.000 0.000 0.293 408 Y C 1.955 177.882 175.900 0.046 0.000 1.124 408 Y CA 1.613 59.746 58.100 0.056 0.000 1.159 408 Y CB -0.481 38.013 38.460 0.057 0.000 1.008 408 Y HN 0.248 nan 8.280 nan 0.000 0.527 409 D N 0.086 120.532 120.400 0.078 0.000 2.083 409 D HA -0.158 4.481 4.640 -0.000 0.000 0.199 409 D C 2.196 178.463 176.300 -0.056 0.000 0.980 409 D CA 1.903 55.898 54.000 -0.010 0.000 0.851 409 D CB -1.031 39.812 40.800 0.071 0.000 0.997 409 D HN 0.395 nan 8.370 nan 0.000 0.449 410 A N 0.404 123.223 122.820 -0.002 0.000 3.115 410 A HA -0.432 3.888 4.320 -0.000 0.000 0.357 410 A C 2.228 179.793 177.584 -0.032 0.000 3.236 410 A CA 3.823 55.855 52.037 -0.009 0.000 0.959 410 A CB -1.850 17.146 19.000 -0.006 0.000 1.307 410 A HN 0.293 nan 8.150 nan 0.000 0.582 411 S N 0.234 115.900 115.700 -0.056 0.000 2.389 411 S HA -0.198 4.272 4.470 -0.000 0.000 0.231 411 S C 1.073 175.646 174.600 -0.045 0.000 1.052 411 S CA 1.697 59.864 58.200 -0.054 0.000 1.053 411 S CB -0.617 62.538 63.200 -0.075 0.000 0.886 411 S HN 0.731 nan 8.310 nan 0.000 0.456 412 D N 0.459 120.829 120.400 -0.051 0.000 2.332 412 D HA 0.121 4.761 4.640 -0.000 0.000 0.244 412 D C 0.106 176.396 176.300 -0.017 0.000 1.136 412 D CA 0.288 54.268 54.000 -0.033 0.000 0.884 412 D CB 0.193 40.973 40.800 -0.033 0.000 0.906 412 D HN 0.217 nan 8.370 nan 0.000 0.520 413 L N -0.145 121.068 121.223 -0.017 0.000 3.333 413 L HA 0.103 4.443 4.340 -0.000 0.000 0.299 413 L C 0.536 177.398 176.870 -0.015 0.000 1.256 413 L CA -0.258 54.576 54.840 -0.011 0.000 1.037 413 L CB 0.380 42.435 42.059 -0.007 0.000 1.423 413 L HN -0.234 nan 8.230 nan 0.000 0.605 414 S N 0.003 115.693 115.700 -0.016 0.000 2.558 414 S HA 0.330 4.800 4.470 -0.000 0.000 0.291 414 S C 1.574 176.165 174.600 -0.014 0.000 1.306 414 S CA 1.071 59.262 58.200 -0.016 0.000 1.056 414 S CB 0.230 63.420 63.200 -0.016 0.000 0.836 414 S HN 0.846 nan 8.310 nan 0.000 0.504 415 G N 3.226 112.017 108.800 -0.014 0.000 2.184 415 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.264 415 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.264 415 G C -0.048 174.843 174.900 -0.016 0.000 0.975 415 G CA 0.602 45.694 45.100 -0.014 0.000 0.642 415 G HN 0.785 nan 8.290 nan 0.000 0.536 416 Q N -0.058 119.731 119.800 -0.019 0.000 2.214 416 Q HA 0.510 4.850 4.340 -0.000 0.000 0.251 416 Q C -0.598 175.381 176.000 -0.034 0.000 0.936 416 Q CA -0.779 55.010 55.803 -0.023 0.000 0.894 416 Q CB 0.879 29.604 28.738 -0.020 0.000 1.252 416 Q HN 0.204 nan 8.270 nan 0.000 0.448 417 N N 2.214 120.891 118.700 -0.039 0.000 2.707 417 N HA 0.277 5.017 4.740 -0.000 0.000 0.235 417 N C -0.934 174.530 175.510 -0.078 0.000 1.028 417 N CA -0.175 52.842 53.050 -0.055 0.000 0.906 417 N CB 0.846 39.306 38.487 -0.045 0.000 1.131 417 N HN 0.439 nan 8.380 nan 0.000 0.509 418 I N 1.533 122.036 120.570 -0.112 0.000 2.352 418 I HA 0.093 4.263 4.170 -0.000 0.000 0.290 418 I C 1.152 177.123 176.117 -0.244 0.000 1.036 418 I CA -0.103 61.098 61.300 -0.164 0.000 1.336 418 I CB 0.710 38.594 38.000 -0.195 0.000 1.407 418 I HN 0.211 nan 8.210 nan 0.000 0.497 419 T N 6.763 121.180 114.554 -0.228 0.000 2.758 419 T HA 0.451 4.801 4.350 -0.000 0.000 0.285 419 T C -0.160 174.336 174.700 -0.340 0.000 0.981 419 T CA -0.710 61.234 62.100 -0.261 0.000 0.965 419 T CB 0.569 69.353 68.868 -0.141 0.000 0.927 419 T HN 0.225 nan 8.240 nan 0.000 0.448 420 I N 6.987 127.265 120.570 -0.486 0.000 2.260 420 I HA 0.236 4.405 4.170 -0.000 0.000 0.297 420 I C 0.814 176.851 176.117 -0.134 0.000 1.143 420 I CA -0.687 60.340 61.300 -0.456 0.000 1.271 420 I CB -0.712 36.900 38.000 -0.647 0.000 1.461 420 I HN 0.768 nan 8.210 nan 0.000 0.530 421 D N 4.708 125.097 120.400 -0.019 0.000 2.466 421 D HA 0.283 4.923 4.640 -0.000 0.000 0.262 421 D C 0.953 177.318 176.300 0.108 0.000 1.177 421 D CA -0.591 53.438 54.000 0.048 0.000 1.035 421 D CB 1.511 42.338 40.800 0.045 0.000 1.105 421 D HN 0.275 nan 8.370 nan 0.000 0.551 422 A N 0.290 123.165 122.820 0.091 0.000 2.019 422 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 422 A C 1.544 179.191 177.584 0.105 0.000 1.164 422 A CA 1.824 53.919 52.037 0.096 0.000 0.644 422 A CB -0.759 18.282 19.000 0.068 0.000 0.805 422 A HN 0.642 nan 8.150 nan 0.000 0.449 423 D N -2.271 118.192 120.400 0.105 0.000 2.183 423 D HA -0.099 4.540 4.640 -0.000 0.000 0.203 423 D C 1.589 177.968 176.300 0.132 0.000 0.969 423 D CA 1.139 55.195 54.000 0.094 0.000 0.842 423 D CB -0.226 40.620 40.800 0.077 0.000 0.957 423 D HN 0.591 nan 8.370 nan 0.000 0.484 424 Y N 0.771 121.111 120.300 0.066 0.000 2.314 424 Y HA -0.123 4.427 4.550 -0.000 0.000 0.293 424 Y C 1.921 177.913 175.900 0.152 0.000 1.129 424 Y CA 0.838 59.006 58.100 0.114 0.000 1.201 424 Y CB -0.034 38.436 38.460 0.017 0.000 0.999 424 Y HN -0.160 nan 8.280 nan 0.000 0.541 425 V N -1.236 118.849 119.914 0.285 0.000 2.548 425 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 425 V C 2.226 178.406 176.094 0.143 0.000 1.055 425 V CA 1.942 64.372 62.300 0.216 0.000 1.065 425 V CB -0.594 31.332 31.823 0.173 0.000 0.681 425 V HN 0.319 nan 8.190 nan 0.000 0.462 426 S N 0.526 116.288 115.700 0.103 0.000 2.377 426 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 426 S C 1.995 176.608 174.600 0.021 0.000 1.030 426 S CA 1.477 59.713 58.200 0.059 0.000 0.970 426 S CB -0.251 62.976 63.200 0.045 0.000 0.830 426 S HN 0.663 nan 8.310 nan 0.000 0.473 427 K N 1.704 122.097 120.400 -0.011 0.000 2.209 427 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 427 K C 1.362 177.828 176.600 -0.223 0.000 1.048 427 K CA 1.600 57.811 56.287 -0.128 0.000 0.940 427 K CB -0.452 31.934 32.500 -0.190 0.000 0.729 427 K HN 0.471 nan 8.250 nan 0.000 0.451 428 H N -0.868 118.123 119.070 -0.133 0.000 2.622 428 H HA 0.269 4.825 4.556 -0.000 0.000 0.269 428 H C 0.986 176.301 175.328 -0.022 0.000 0.977 428 H CA 0.739 56.728 56.048 -0.099 0.000 1.179 428 H CB 0.696 30.388 29.762 -0.117 0.000 1.458 428 H HN 0.158 nan 8.280 nan 0.000 0.531 429 L N -0.848 120.431 121.223 0.092 0.000 3.154 429 L HA 0.068 4.408 4.340 -0.000 0.000 0.280 429 L C 1.390 178.291 176.870 0.052 0.000 1.134 429 L CA 0.023 54.909 54.840 0.077 0.000 1.037 429 L CB 0.571 42.687 42.059 0.095 0.000 1.571 429 L HN -0.116 nan 8.230 nan 0.000 0.576 430 D N 1.652 122.075 120.400 0.039 0.000 2.106 430 D HA -0.190 4.450 4.640 -0.000 0.000 0.191 430 D C 2.172 178.485 176.300 0.023 0.000 0.997 430 D CA 1.863 55.882 54.000 0.032 0.000 0.834 430 D CB 0.043 40.856 40.800 0.021 0.000 0.956 430 D HN 0.304 nan 8.370 nan 0.000 0.448 431 A N 0.319 123.143 122.820 0.006 0.000 1.883 431 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 431 A C 2.278 179.869 177.584 0.012 0.000 1.186 431 A CA 1.116 53.154 52.037 0.001 0.000 0.624 431 A CB -0.874 18.115 19.000 -0.017 0.000 0.822 431 A HN 0.177 nan 8.150 nan 0.000 0.444 432 L N -0.379 120.855 121.223 0.018 0.000 1.989 432 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 432 L C 2.611 179.505 176.870 0.040 0.000 1.071 432 L CA 1.833 56.691 54.840 0.030 0.000 0.749 432 L CB -0.518 41.565 42.059 0.040 0.000 0.890 432 L HN 0.227 nan 8.230 nan 0.000 0.431 433 V N -0.459 119.483 119.914 0.046 0.000 2.392 433 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 433 V C 2.645 178.767 176.094 0.047 0.000 1.059 433 V CA 1.678 64.010 62.300 0.053 0.000 1.051 433 V CB -1.312 30.550 31.823 0.064 0.000 0.658 433 V HN 0.551 nan 8.190 nan 0.000 0.455 434 A N -0.596 122.247 122.820 0.038 0.000 1.933 434 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 434 A C 1.583 179.184 177.584 0.029 0.000 1.175 434 A CA 1.389 53.445 52.037 0.032 0.000 0.628 434 A CB -0.371 18.643 19.000 0.023 0.000 0.814 434 A HN 0.519 nan 8.150 nan 0.000 0.444 435 D N 0.197 120.614 120.400 0.028 0.000 2.470 435 D HA 0.114 4.754 4.640 -0.000 0.000 0.226 435 D C 0.721 177.045 176.300 0.041 0.000 1.196 435 D CA -0.041 53.974 54.000 0.026 0.000 0.979 435 D CB 0.202 41.013 40.800 0.017 0.000 1.059 435 D HN 0.467 nan 8.370 nan 0.000 0.515 436 E N 1.836 122.061 120.200 0.041 0.000 2.219 436 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 436 E C 0.902 177.545 176.600 0.072 0.000 0.998 436 E CA 1.014 57.443 56.400 0.048 0.000 0.818 436 E CB 0.342 30.065 29.700 0.038 0.000 0.741 436 E HN 0.526 nan 8.360 nan 0.000 0.477 437 D N -0.096 120.351 120.400 0.078 0.000 2.085 437 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 437 D C 1.960 178.377 176.300 0.194 0.000 0.981 437 D CA 0.645 54.725 54.000 0.133 0.000 0.834 437 D CB -0.020 40.829 40.800 0.082 0.000 0.992 437 D HN -0.005 nan 8.370 nan 0.000 0.457 438 L N 0.993 122.278 121.223 0.104 0.000 2.021 438 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 438 L C 2.619 179.581 176.870 0.154 0.000 1.074 438 L CA 2.223 57.126 54.840 0.105 0.000 0.760 438 L CB -1.740 40.343 42.059 0.041 0.000 0.889 438 L HN 0.297 nan 8.230 nan 0.000 0.433 439 S N -0.591 115.174 115.700 0.108 0.000 2.400 439 S HA -0.217 4.253 4.470 -0.000 0.000 0.232 439 S C 1.951 176.604 174.600 0.088 0.000 1.025 439 S CA 0.898 59.149 58.200 0.086 0.000 0.993 439 S CB -0.409 62.827 63.200 0.059 0.000 0.808 439 S HN 0.434 nan 8.310 nan 0.000 0.478 440 R N -0.761 119.807 120.500 0.114 0.000 2.235 440 R HA 0.159 4.498 4.340 -0.000 0.000 0.213 440 R C 1.423 177.704 176.300 -0.031 0.000 1.059 440 R CA 1.107 57.230 56.100 0.039 0.000 0.997 440 R CB -0.264 30.058 30.300 0.036 0.000 0.884 440 R HN 0.525 nan 8.270 nan 0.000 0.462 441 F N -0.732 119.220 119.950 0.004 0.000 2.419 441 F HA 0.077 4.604 4.527 -0.000 0.000 0.283 441 F C 2.015 177.820 175.800 0.009 0.000 1.044 441 F CA 0.384 58.387 58.000 0.005 0.000 1.376 441 F CB 0.268 39.271 39.000 0.004 0.000 1.131 441 F HN -0.161 nan 8.300 nan 0.000 0.585 442 I N -0.492 120.202 120.570 0.206 0.000 3.039 442 I HA 0.094 4.264 4.170 -0.000 0.000 0.270 442 I C 0.931 177.096 176.117 0.080 0.000 1.150 442 I CA 0.651 62.026 61.300 0.124 0.000 1.448 442 I CB -0.884 37.179 38.000 0.105 0.000 1.197 442 I HN -0.101 nan 8.210 nan 0.000 0.450 443 L N 0.000 121.265 121.223 0.070 0.000 2.949 443 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 443 L CA 0.000 54.870 54.840 0.049 0.000 0.813 443 L CB 0.000 42.088 42.059 0.048 0.000 0.961 443 L HN 0.000 nan 8.230 nan 0.000 0.502