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 1yp3_1_D DATA FIRST_RESID 13 DATA SEQUENCE LDPDASRSVL GIILGGGAGT RLYPLTKKRA KPAVPLGANY RLIDIPVSNC DATA SEQUENCE LNSNISKIYV LTQFNSASLN RHLSRAYXXX XXXXXNEGFV EVLAAQQSPE DATA SEQUENCE XXXXXXGTAD AVRQYLWLFE EHTVLEYLIL AGDHLYRMDY EKFIQAHRET DATA SEQUENCE DADITVAALP MDEKRATAFG LMKIDEEGRI IEFAEKPQGE QLQAMKVDTT DATA SEQUENCE ILGLDDKRAK EMPFIASMGI YVISKDVMLN LLRDKFPGAN DFGSEVIPGA DATA SEQUENCE TSLGMRVQAY LYDGYWEDIG TIEAFYNANL GITKKPVPDF SFYDRSAPIY DATA SEQUENCE TQPRYLPPSK MLDADVTDSV IGEGCVIKNC KIHHSVVGLR SCISEGAIIE DATA SEQUENCE DSLLMGADYY ETDADRKLLA AKGSVPIGIG KNCHIKRAII DKNARIGDNV DATA SEQUENCE KIINKDNVQE AARETDGYFI KSGIVTVIKD ALIPSGIII 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 13 L HA 0.000 nan 4.340 nan 0.000 0.249 13 L C 0.000 176.868 176.870 -0.003 0.000 1.165 13 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 13 L CB 0.000 42.053 42.059 -0.011 0.000 0.961 14 D N 1.140 121.536 120.400 -0.006 0.000 2.521 14 D HA 0.342 4.982 4.640 -0.000 0.000 0.195 14 D C -2.802 173.494 176.300 -0.007 0.000 1.286 14 D CA -0.502 53.495 54.000 -0.005 0.000 0.854 14 D CB 2.252 43.052 40.800 -0.000 0.000 1.723 14 D HN 0.434 nan 8.370 nan 0.000 0.550 15 P HA 0.177 nan 4.420 nan 0.000 0.269 15 P C -0.306 176.983 177.300 -0.018 0.000 1.217 15 P CA -0.066 63.027 63.100 -0.012 0.000 0.783 15 P CB 0.684 32.376 31.700 -0.013 0.000 0.898 16 D N -0.513 119.877 120.400 -0.017 0.000 2.360 16 D HA 0.266 4.906 4.640 -0.000 0.000 0.242 16 D C 1.314 177.593 176.300 -0.035 0.000 1.184 16 D CA -0.388 53.600 54.000 -0.020 0.000 0.930 16 D CB 0.285 41.077 40.800 -0.014 0.000 1.161 16 D HN 0.337 nan 8.370 nan 0.000 0.447 17 A N 1.288 124.084 122.820 -0.039 0.000 1.865 17 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 17 A C 2.206 179.748 177.584 -0.070 0.000 1.191 17 A CA 2.364 54.365 52.037 -0.059 0.000 0.623 17 A CB -1.414 17.559 19.000 -0.044 0.000 0.826 17 A HN 0.643 nan 8.150 nan 0.000 0.444 18 S N 0.245 115.911 115.700 -0.057 0.000 2.414 18 S HA -0.328 4.142 4.470 -0.000 0.000 0.241 18 S C 2.045 176.602 174.600 -0.073 0.000 1.079 18 S CA 2.416 60.575 58.200 -0.068 0.000 1.087 18 S CB -0.376 62.797 63.200 -0.044 0.000 0.927 18 S HN 0.810 nan 8.310 nan 0.000 0.456 19 R N -0.338 120.133 120.500 -0.048 0.000 2.344 19 R HA 0.260 4.600 4.340 -0.000 0.000 0.209 19 R C 1.887 178.168 176.300 -0.031 0.000 0.886 19 R CA 0.901 56.984 56.100 -0.029 0.000 1.040 19 R CB -0.356 29.939 30.300 -0.007 0.000 1.114 19 R HN 0.490 nan 8.270 nan 0.000 0.547 20 S N -0.152 115.516 115.700 -0.052 0.000 2.524 20 S HA 0.244 4.714 4.470 -0.000 0.000 0.215 20 S C 0.383 174.917 174.600 -0.110 0.000 0.986 20 S CA -0.443 57.718 58.200 -0.065 0.000 0.911 20 S CB 0.667 63.833 63.200 -0.058 0.000 0.805 20 S HN 0.029 nan 8.310 nan 0.000 0.501 21 V N 3.032 122.872 119.914 -0.123 0.000 2.588 21 V HA 0.511 4.631 4.120 -0.000 0.000 0.304 21 V C -0.666 175.326 176.094 -0.168 0.000 1.042 21 V CA -0.894 61.308 62.300 -0.163 0.000 0.877 21 V CB 1.887 33.611 31.823 -0.164 0.000 0.996 21 V HN 0.426 nan 8.190 nan 0.000 0.425 22 L N 3.967 125.100 121.223 -0.151 0.000 2.322 22 L HA 0.816 5.156 4.340 -0.000 0.000 0.279 22 L C 0.385 177.159 176.870 -0.160 0.000 1.036 22 L CA 0.214 54.973 54.840 -0.136 0.000 0.807 22 L CB 1.348 43.436 42.059 0.048 0.000 1.226 22 L HN 0.783 nan 8.230 nan 0.000 0.433 23 G N 5.951 114.605 108.800 -0.242 0.000 2.370 23 G HA2 0.588 4.548 3.960 -0.000 0.000 0.317 23 G HA3 0.588 4.548 3.960 -0.000 0.000 0.317 23 G C -0.701 174.068 174.900 -0.219 0.000 1.162 23 G CA -0.420 44.532 45.100 -0.246 0.000 0.922 23 G HN 0.581 nan 8.290 nan 0.000 0.454 24 I N 3.638 124.061 120.570 -0.244 0.000 2.420 24 I HA 0.304 4.474 4.170 -0.000 0.000 0.282 24 I C -0.338 175.672 176.117 -0.179 0.000 1.019 24 I CA -0.492 60.655 61.300 -0.255 0.000 1.130 24 I CB 1.605 39.323 38.000 -0.469 0.000 1.262 24 I HN 0.213 nan 8.210 nan 0.000 0.454 25 I N 6.812 127.317 120.570 -0.108 0.000 2.353 25 I HA 0.309 4.479 4.170 -0.000 0.000 0.293 25 I C -0.793 175.293 176.117 -0.052 0.000 0.992 25 I CA -0.726 60.526 61.300 -0.081 0.000 1.268 25 I CB 1.389 39.351 38.000 -0.063 0.000 1.387 25 I HN 0.303 nan 8.210 nan 0.000 0.478 26 L N 5.927 127.118 121.223 -0.053 0.000 2.325 26 L HA 0.600 4.940 4.340 -0.000 0.000 0.281 26 L C 0.648 177.492 176.870 -0.044 0.000 1.004 26 L CA 0.072 54.890 54.840 -0.036 0.000 0.823 26 L CB 1.535 43.572 42.059 -0.035 0.000 1.236 26 L HN 0.742 nan 8.230 nan 0.000 0.415 27 G N 0.676 109.449 108.800 -0.046 0.000 4.818 27 G HA2 0.413 4.373 3.960 -0.000 0.000 0.253 27 G HA3 0.413 4.373 3.960 -0.000 0.000 0.253 27 G C 0.300 175.153 174.900 -0.078 0.000 0.986 27 G CA 0.341 45.402 45.100 -0.065 0.000 0.785 27 G HN 0.825 nan 8.290 nan 0.000 0.325 28 G N 0.146 108.902 108.800 -0.074 0.000 3.411 28 G HA2 0.634 4.594 3.960 -0.000 0.000 0.186 28 G HA3 0.634 4.594 3.960 -0.000 0.000 0.186 28 G C 1.032 175.882 174.900 -0.083 0.000 1.766 28 G CA 0.356 45.389 45.100 -0.113 0.000 0.971 28 G HN 1.466 nan 8.290 nan 0.000 0.590 29 G N -1.066 107.695 108.800 -0.064 0.000 2.645 29 G HA2 0.198 4.158 3.960 -0.000 0.000 0.246 29 G HA3 0.198 4.158 3.960 -0.000 0.000 0.246 29 G C 1.219 176.109 174.900 -0.018 0.000 1.322 29 G CA 1.163 46.250 45.100 -0.022 0.000 0.898 29 G HN 1.638 nan 8.290 nan 0.000 0.573 30 A N -0.736 122.089 122.820 0.009 0.000 1.832 30 A HA 0.449 4.769 4.320 -0.000 0.000 0.214 30 A C 3.241 180.831 177.584 0.009 0.000 1.200 30 A CA 3.181 55.232 52.037 0.023 0.000 0.610 30 A CB -1.238 17.777 19.000 0.026 0.000 0.842 30 A HN 3.004 nan 8.150 nan 0.000 0.444 31 G N -0.864 107.935 108.800 -0.003 0.000 2.337 31 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.290 31 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.290 31 G C 0.910 175.804 174.900 -0.010 0.000 1.003 31 G CA 1.774 46.864 45.100 -0.017 0.000 0.825 31 G HN 1.338 nan 8.290 nan 0.000 0.509 32 T N -1.855 112.707 114.554 0.013 0.000 2.918 32 T HA -0.139 4.211 4.350 -0.000 0.000 0.271 32 T C 2.123 176.831 174.700 0.013 0.000 1.104 32 T CA 1.361 63.481 62.100 0.034 0.000 1.114 32 T CB -0.268 68.610 68.868 0.016 0.000 0.855 32 T HN 0.638 nan 8.240 nan 0.000 0.518 33 R N 0.696 121.194 120.500 -0.003 0.000 2.211 33 R HA 0.033 4.373 4.340 -0.000 0.000 0.240 33 R C 1.585 177.861 176.300 -0.040 0.000 1.144 33 R CA 1.010 57.105 56.100 -0.008 0.000 0.992 33 R CB -0.586 29.716 30.300 0.003 0.000 0.869 33 R HN 0.447 nan 8.270 nan 0.000 0.462 34 L N -0.283 120.898 121.223 -0.069 0.000 2.741 34 L HA 0.152 4.492 4.340 -0.000 0.000 0.237 34 L C 0.126 176.890 176.870 -0.176 0.000 1.178 34 L CA -0.648 54.101 54.840 -0.152 0.000 0.973 34 L CB -0.102 41.827 42.059 -0.216 0.000 1.255 34 L HN 0.091 nan 8.230 nan 0.000 0.498 35 Y N 3.529 123.667 120.300 -0.270 0.000 2.597 35 Y HA 0.032 4.582 4.550 0.000 0.000 0.336 35 Y C -1.301 174.287 175.900 -0.520 0.000 1.216 35 Y CA -1.225 56.663 58.100 -0.353 0.000 1.463 35 Y CB 0.793 39.014 38.460 -0.397 0.000 1.303 35 Y HN -0.040 nan 8.280 nan 0.000 0.576 36 P HA 0.039 nan 4.420 nan 0.000 0.261 36 P C 1.003 177.963 177.300 -0.566 0.000 1.352 36 P CA 0.493 62.928 63.100 -1.108 0.000 0.891 36 P CB 0.243 31.471 31.700 -0.788 0.000 1.383 37 L N 0.614 121.611 121.223 -0.377 0.000 2.042 37 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 37 L C 2.131 178.870 176.870 -0.218 0.000 1.076 37 L CA 2.382 57.059 54.840 -0.273 0.000 0.749 37 L CB -1.194 40.661 42.059 -0.339 0.000 0.893 37 L HN 0.136 nan 8.230 nan 0.000 0.432 38 T N -3.963 110.469 114.554 -0.204 0.000 3.235 38 T HA 0.002 4.352 4.350 -0.000 0.000 0.251 38 T C 1.463 176.141 174.700 -0.036 0.000 1.060 38 T CA -0.175 61.871 62.100 -0.091 0.000 0.949 38 T CB 0.161 68.998 68.868 -0.052 0.000 1.020 38 T HN 0.206 nan 8.240 nan 0.000 0.564 39 K N 1.513 121.805 120.400 -0.180 0.000 1.991 39 K HA -0.175 4.145 4.320 -0.000 0.000 0.212 39 K C 1.685 178.297 176.600 0.020 0.000 1.049 39 K CA 1.237 57.447 56.287 -0.130 0.000 0.932 39 K CB 0.084 32.378 32.500 -0.344 0.000 0.717 39 K HN 0.171 nan 8.250 nan 0.000 0.441 40 K N 0.747 121.145 120.400 -0.003 0.000 2.065 40 K HA -0.002 4.318 4.320 -0.000 0.000 0.211 40 K C 0.973 177.647 176.600 0.124 0.000 1.025 40 K CA 0.700 57.010 56.287 0.038 0.000 0.948 40 K CB -0.871 31.636 32.500 0.011 0.000 0.798 40 K HN 0.317 nan 8.250 nan 0.000 0.450 41 R N 1.396 121.957 120.500 0.102 0.000 2.756 41 R HA 0.329 4.669 4.340 -0.000 0.000 0.264 41 R C 0.152 176.569 176.300 0.195 0.000 1.026 41 R CA 0.045 56.237 56.100 0.154 0.000 1.121 41 R CB 0.022 30.360 30.300 0.063 0.000 0.999 41 R HN 0.135 nan 8.270 nan 0.000 0.449 42 A N 1.522 124.447 122.820 0.174 0.000 2.406 42 A HA 0.048 4.368 4.320 -0.000 0.000 0.243 42 A C 1.088 178.607 177.584 -0.108 0.000 1.082 42 A CA -0.024 51.923 52.037 -0.150 0.000 0.786 42 A CB 0.366 19.165 19.000 -0.336 0.000 1.029 42 A HN 1.004 nan 8.150 nan 0.000 0.495 43 K N 0.593 120.896 120.400 -0.161 0.000 2.063 43 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 43 K C -1.019 175.528 176.600 -0.088 0.000 1.048 43 K CA 2.008 58.227 56.287 -0.113 0.000 0.928 43 K CB -0.891 31.539 32.500 -0.116 0.000 0.713 43 K HN 0.533 nan 8.250 nan 0.000 0.442 44 P HA -0.117 nan 4.420 nan 0.000 0.219 44 P C 0.269 177.549 177.300 -0.033 0.000 1.146 44 P CA 1.394 64.466 63.100 -0.046 0.000 0.808 44 P CB 0.064 31.743 31.700 -0.035 0.000 0.779 45 A N -1.017 121.776 122.820 -0.045 0.000 2.278 45 A HA 0.103 4.423 4.320 -0.000 0.000 0.212 45 A C 0.656 178.207 177.584 -0.055 0.000 1.213 45 A CA 0.001 52.002 52.037 -0.060 0.000 0.840 45 A CB -0.861 18.122 19.000 -0.028 0.000 0.866 45 A HN -0.025 nan 8.150 nan 0.000 0.489 46 V N 2.066 121.956 119.914 -0.039 0.000 2.540 46 V HA 0.073 4.193 4.120 -0.000 0.000 0.297 46 V C -2.136 173.987 176.094 0.048 0.000 1.024 46 V CA -1.025 61.259 62.300 -0.027 0.000 1.105 46 V CB 0.422 32.197 31.823 -0.079 0.000 0.938 46 V HN 0.270 nan 8.190 nan 0.000 0.482 47 P HA 0.251 nan 4.420 nan 0.000 0.266 47 P C -0.719 176.713 177.300 0.221 0.000 1.193 47 P CA 0.058 63.220 63.100 0.104 0.000 0.770 47 P CB 0.557 32.303 31.700 0.077 0.000 0.836 48 L N 1.047 122.372 121.223 0.171 0.000 2.556 48 L HA 0.602 4.942 4.340 -0.000 0.000 0.257 48 L C 0.471 177.354 176.870 0.021 0.000 0.955 48 L CA 0.081 55.012 54.840 0.150 0.000 0.850 48 L CB 1.486 43.688 42.059 0.239 0.000 1.398 48 L HN 0.561 nan 8.230 nan 0.000 0.412 49 G N 3.165 111.887 108.800 -0.130 0.000 2.402 49 G HA2 0.048 4.008 3.960 -0.000 0.000 0.300 49 G HA3 0.048 4.008 3.960 -0.000 0.000 0.300 49 G C 1.064 175.815 174.900 -0.248 0.000 0.987 49 G CA 1.513 46.350 45.100 -0.437 0.000 0.881 49 G HN 2.367 nan 8.290 nan 0.000 0.512 50 A N -1.740 121.013 122.820 -0.111 0.000 3.275 50 A HA -0.330 3.990 4.320 -0.000 0.000 0.241 50 A C 1.257 178.798 177.584 -0.072 0.000 0.607 50 A CA 2.328 54.315 52.037 -0.084 0.000 1.181 50 A CB -1.538 17.399 19.000 -0.106 0.000 1.304 50 A HN 1.416 nan 8.150 nan 0.000 0.682 51 N N -2.112 116.554 118.700 -0.057 0.000 2.365 51 N HA 0.515 5.255 4.740 -0.000 0.000 0.257 51 N C -0.655 174.610 175.510 -0.408 0.000 1.287 51 N CA -0.007 52.895 53.050 -0.248 0.000 0.882 51 N CB 0.653 38.887 38.487 -0.422 0.000 1.250 51 N HN 0.609 nan 8.380 nan 0.000 0.507 52 Y N -0.205 120.046 120.300 -0.081 0.000 2.974 52 Y HA 0.553 5.103 4.550 0.000 0.000 0.310 52 Y C -0.443 175.464 175.900 0.013 0.000 1.551 52 Y CA -1.080 57.034 58.100 0.024 0.000 1.084 52 Y CB 1.119 39.622 38.460 0.071 0.000 1.446 52 Y HN -0.279 nan 8.280 nan 0.000 0.472 53 R N 0.198 120.845 120.500 0.245 0.000 2.626 53 R HA 0.442 4.782 4.340 -0.000 0.000 0.274 53 R C 0.226 176.613 176.300 0.145 0.000 1.031 53 R CA -0.716 55.429 56.100 0.075 0.000 0.898 53 R CB 2.035 32.205 30.300 -0.217 0.000 1.222 53 R HN 0.586 nan 8.270 nan 0.000 0.455 54 L N 1.475 122.767 121.223 0.116 0.000 2.054 54 L HA -0.325 4.015 4.340 -0.000 0.000 0.220 54 L C 2.194 179.112 176.870 0.081 0.000 1.081 54 L CA 1.723 56.621 54.840 0.097 0.000 0.780 54 L CB -0.484 41.604 42.059 0.049 0.000 0.893 54 L HN 0.645 nan 8.230 nan 0.000 0.438 55 I N 0.289 120.903 120.570 0.075 0.000 2.502 55 I HA -0.297 3.873 4.170 -0.000 0.000 0.258 55 I C 1.802 178.010 176.117 0.152 0.000 1.172 55 I CA 1.577 62.930 61.300 0.089 0.000 1.430 55 I CB -0.503 37.561 38.000 0.106 0.000 1.086 55 I HN 0.235 nan 8.210 nan 0.000 0.440 56 D N 0.083 120.635 120.400 0.254 0.000 2.312 56 D HA -0.088 4.552 4.640 -0.000 0.000 0.211 56 D C 2.198 178.621 176.300 0.204 0.000 0.964 56 D CA 0.736 54.945 54.000 0.348 0.000 0.877 56 D CB 0.090 41.215 40.800 0.540 0.000 0.924 56 D HN 0.330 nan 8.370 nan 0.000 0.515 57 I N 1.770 122.396 120.570 0.093 0.000 2.162 57 I HA -0.124 4.046 4.170 -0.000 0.000 0.238 57 I C -0.547 175.513 176.117 -0.096 0.000 1.076 57 I CA 1.100 62.373 61.300 -0.044 0.000 1.353 57 I CB -2.373 35.541 38.000 -0.144 0.000 1.063 57 I HN -0.006 nan 8.210 nan 0.000 0.408 58 P HA -0.028 nan 4.420 nan 0.000 0.222 58 P C 1.975 179.279 177.300 0.007 0.000 1.153 58 P CA 1.092 64.187 63.100 -0.008 0.000 0.798 58 P CB 0.204 31.910 31.700 0.009 0.000 0.796 59 V N 0.317 120.213 119.914 -0.030 0.000 2.488 59 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 59 V C 2.731 178.796 176.094 -0.048 0.000 1.046 59 V CA 1.968 64.195 62.300 -0.121 0.000 1.053 59 V CB -1.301 30.348 31.823 -0.290 0.000 0.679 59 V HN 0.143 nan 8.190 nan 0.000 0.458 60 S N 0.542 116.281 115.700 0.064 0.000 2.368 60 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 60 S C 1.915 176.559 174.600 0.075 0.000 1.029 60 S CA 1.241 59.538 58.200 0.162 0.000 0.988 60 S CB -0.418 62.844 63.200 0.102 0.000 0.838 60 S HN 0.592 nan 8.310 nan 0.000 0.462 61 N N 1.035 119.739 118.700 0.007 0.000 2.104 61 N HA -0.097 4.643 4.740 -0.000 0.000 0.190 61 N C 1.890 177.484 175.510 0.141 0.000 1.024 61 N CA 1.148 54.173 53.050 -0.041 0.000 0.853 61 N CB -0.596 37.788 38.487 -0.171 0.000 1.008 61 N HN 0.363 nan 8.380 nan 0.000 0.424 62 C N 1.220 120.684 119.300 0.275 0.000 2.413 62 C HA -0.069 4.391 4.460 -0.000 0.000 0.278 62 C C 2.919 177.970 174.990 0.102 0.000 1.224 62 C CA 0.349 59.500 59.018 0.221 0.000 1.732 62 C CB -1.251 26.498 27.740 0.015 0.000 2.050 62 C HN 0.406 nan 8.230 nan 0.000 0.463 63 L N 1.232 122.492 121.223 0.062 0.000 1.990 63 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 63 L C 2.191 179.129 176.870 0.114 0.000 1.072 63 L CA 1.664 56.546 54.840 0.070 0.000 0.755 63 L CB -0.957 41.178 42.059 0.128 0.000 0.889 63 L HN 0.444 nan 8.230 nan 0.000 0.432 64 N N -0.452 118.341 118.700 0.156 0.000 2.519 64 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 64 N C 1.482 177.021 175.510 0.049 0.000 1.062 64 N CA 1.019 54.130 53.050 0.102 0.000 0.910 64 N CB -0.042 38.464 38.487 0.032 0.000 0.958 64 N HN 0.262 nan 8.380 nan 0.000 0.445 65 S N -0.021 115.718 115.700 0.064 0.000 2.540 65 S HA 0.159 4.629 4.470 -0.000 0.000 0.218 65 S C 0.134 174.769 174.600 0.058 0.000 0.977 65 S CA -0.474 57.768 58.200 0.071 0.000 0.918 65 S CB 0.130 63.430 63.200 0.168 0.000 0.806 65 S HN 0.389 nan 8.310 nan 0.000 0.496 66 N N 1.029 119.751 118.700 0.038 0.000 2.815 66 N HA -0.116 4.624 4.740 -0.000 0.000 0.249 66 N C -1.066 174.429 175.510 -0.024 0.000 1.114 66 N CA 0.100 53.154 53.050 0.006 0.000 0.717 66 N CB -0.839 37.651 38.487 0.005 0.000 1.074 66 N HN 0.256 nan 8.380 nan 0.000 0.555 67 I N 0.931 121.485 120.570 -0.026 0.000 2.291 67 I HA 0.129 4.299 4.170 -0.000 0.000 0.290 67 I C 1.288 177.306 176.117 -0.165 0.000 1.050 67 I CA 0.340 61.586 61.300 -0.091 0.000 1.245 67 I CB 1.214 39.170 38.000 -0.073 0.000 1.405 67 I HN 0.045 nan 8.210 nan 0.000 0.478 68 S N 4.610 120.180 115.700 -0.216 0.000 2.398 68 S HA 0.056 4.526 4.470 -0.000 0.000 0.220 68 S C 0.708 174.967 174.600 -0.568 0.000 1.046 68 S CA 0.359 58.380 58.200 -0.299 0.000 0.953 68 S CB 0.088 63.156 63.200 -0.221 0.000 0.856 68 S HN 0.497 nan 8.310 nan 0.000 0.506 69 K N 1.950 121.964 120.400 -0.643 0.000 2.419 69 K HA 0.286 4.606 4.320 -0.000 0.000 0.282 69 K C -0.736 175.352 176.600 -0.855 0.000 1.056 69 K CA 0.701 56.321 56.287 -1.111 0.000 1.035 69 K CB -0.246 31.856 32.500 -0.664 0.000 0.921 69 K HN 0.266 nan 8.250 nan 0.000 0.472 70 I N 3.747 123.702 120.570 -1.025 0.000 2.548 70 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 70 I C -0.951 174.931 176.117 -0.391 0.000 1.103 70 I CA -0.937 60.044 61.300 -0.530 0.000 1.049 70 I CB 1.334 39.103 38.000 -0.386 0.000 1.232 70 I HN 0.456 nan 8.210 nan 0.000 0.429 71 Y N 4.617 124.862 120.300 -0.091 0.000 2.446 71 Y HA 0.646 5.196 4.550 0.000 0.000 0.338 71 Y C -0.183 175.686 175.900 -0.052 0.000 1.055 71 Y CA -0.978 57.127 58.100 0.008 0.000 1.101 71 Y CB 2.513 41.014 38.460 0.068 0.000 1.221 71 Y HN 0.140 nan 8.280 nan 0.000 0.460 72 V N 4.779 124.790 119.914 0.161 0.000 2.398 72 V HA 0.224 4.344 4.120 -0.000 0.000 0.282 72 V C -0.987 175.138 176.094 0.052 0.000 1.014 72 V CA -0.734 61.604 62.300 0.063 0.000 0.838 72 V CB 0.890 32.736 31.823 0.039 0.000 1.018 72 V HN 0.469 nan 8.190 nan 0.000 0.432 73 L N 4.856 126.104 121.223 0.041 0.000 2.360 73 L HA 0.543 4.883 4.340 -0.000 0.000 0.276 73 L C 0.678 177.555 176.870 0.012 0.000 1.121 73 L CA 1.129 55.995 54.840 0.044 0.000 0.845 73 L CB 0.765 42.874 42.059 0.083 0.000 1.143 73 L HN 0.598 nan 8.230 nan 0.000 0.452 74 T N 0.973 115.530 114.554 0.004 0.000 2.906 74 T HA 0.222 4.572 4.350 -0.000 0.000 0.295 74 T C 0.581 175.236 174.700 -0.074 0.000 1.075 74 T CA -0.432 61.623 62.100 -0.074 0.000 1.005 74 T CB 2.141 70.942 68.868 -0.112 0.000 1.136 74 T HN 0.454 nan 8.240 nan 0.000 0.498 75 Q N 0.592 120.274 119.800 -0.197 0.000 2.030 75 Q HA 0.048 4.388 4.340 -0.000 0.000 0.204 75 Q C 0.166 176.171 176.000 0.008 0.000 0.986 75 Q CA 1.837 57.570 55.803 -0.116 0.000 0.843 75 Q CB -0.099 28.524 28.738 -0.192 0.000 0.904 75 Q HN 0.669 nan 8.270 nan 0.000 0.420 76 F N -2.093 117.894 119.950 0.061 0.000 2.650 76 F HA 0.584 5.111 4.527 -0.000 0.000 0.320 76 F C -0.746 175.091 175.800 0.061 0.000 1.091 76 F CA -2.030 56.007 58.000 0.061 0.000 0.962 76 F CB 0.418 39.448 39.000 0.050 0.000 1.363 76 F HN -0.254 nan 8.300 nan 0.000 0.482 77 N N 0.143 119.075 118.700 0.386 0.000 2.508 77 N HA 0.445 5.185 4.740 -0.000 0.000 0.264 77 N C -1.045 174.657 175.510 0.321 0.000 1.216 77 N CA -0.414 52.792 53.050 0.260 0.000 0.943 77 N CB 1.242 39.836 38.487 0.177 0.000 1.113 77 N HN 0.722 nan 8.380 nan 0.000 0.447 78 S N -0.149 115.682 115.700 0.218 0.000 2.736 78 S HA 0.577 5.047 4.470 -0.000 0.000 0.285 78 S C 0.582 175.263 174.600 0.134 0.000 1.163 78 S CA -0.592 57.728 58.200 0.199 0.000 1.025 78 S CB 0.659 63.982 63.200 0.206 0.000 1.030 78 S HN 0.635 nan 8.310 nan 0.000 0.486 79 A N 3.883 126.769 122.820 0.110 0.000 1.859 79 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 79 A C 2.338 179.978 177.584 0.094 0.000 1.198 79 A CA 2.622 54.712 52.037 0.089 0.000 0.629 79 A CB -1.459 17.583 19.000 0.069 0.000 0.830 79 A HN 1.453 nan 8.150 nan 0.000 0.446 80 S N -0.300 115.456 115.700 0.094 0.000 2.399 80 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 80 S C 1.920 176.593 174.600 0.121 0.000 1.022 80 S CA 1.293 59.552 58.200 0.098 0.000 0.983 80 S CB -0.631 62.619 63.200 0.082 0.000 0.803 80 S HN 0.465 nan 8.310 nan 0.000 0.480 81 L N 1.645 122.938 121.223 0.118 0.000 2.093 81 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 81 L C 2.134 179.106 176.870 0.171 0.000 1.085 81 L CA 1.609 56.528 54.840 0.131 0.000 0.755 81 L CB -0.643 41.477 42.059 0.101 0.000 0.904 81 L HN 0.445 nan 8.230 nan 0.000 0.435 82 N N -0.705 118.079 118.700 0.140 0.000 2.216 82 N HA -0.195 4.545 4.740 -0.000 0.000 0.183 82 N C 1.907 177.492 175.510 0.125 0.000 1.017 82 N CA 0.518 53.647 53.050 0.132 0.000 0.861 82 N CB 0.007 38.558 38.487 0.107 0.000 0.986 82 N HN 0.234 nan 8.380 nan 0.000 0.428 83 R N 0.586 121.157 120.500 0.117 0.000 2.096 83 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 83 R C 2.049 178.405 176.300 0.093 0.000 1.127 83 R CA 1.525 57.681 56.100 0.092 0.000 0.968 83 R CB -0.250 30.102 30.300 0.086 0.000 0.861 83 R HN 0.391 nan 8.270 nan 0.000 0.440 84 H N 0.199 119.300 119.070 0.053 0.000 2.389 84 H HA -0.017 4.539 4.556 0.000 0.000 0.299 84 H C 1.956 177.324 175.328 0.067 0.000 1.081 84 H CA 1.855 57.930 56.048 0.045 0.000 1.345 84 H CB -0.064 29.739 29.762 0.069 0.000 1.393 84 H HN 0.158 nan 8.280 nan 0.000 0.520 85 L N -0.194 121.132 121.223 0.171 0.000 2.072 85 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 85 L C 2.768 179.732 176.870 0.157 0.000 1.079 85 L CA 1.172 56.159 54.840 0.244 0.000 0.752 85 L CB -0.486 41.732 42.059 0.266 0.000 0.906 85 L HN 0.443 nan 8.230 nan 0.000 0.436 86 S N -0.484 115.265 115.700 0.081 0.000 2.357 86 S HA -0.140 4.330 4.470 -0.000 0.000 0.221 86 S C 2.156 176.735 174.600 -0.036 0.000 1.031 86 S CA 0.419 58.648 58.200 0.048 0.000 0.982 86 S CB -0.346 62.884 63.200 0.050 0.000 0.853 86 S HN 0.269 nan 8.310 nan 0.000 0.458 87 R N 1.548 122.000 120.500 -0.081 0.000 2.096 87 R HA 0.078 4.418 4.340 -0.000 0.000 0.235 87 R C 2.600 178.736 176.300 -0.274 0.000 1.127 87 R CA 1.447 57.468 56.100 -0.133 0.000 0.968 87 R CB -1.023 29.210 30.300 -0.112 0.000 0.861 87 R HN 0.626 nan 8.270 nan 0.000 0.440 88 A N -0.513 122.013 122.820 -0.489 0.000 1.975 88 A HA 0.039 4.359 4.320 -0.000 0.000 0.215 88 A C 0.274 177.222 177.584 -1.060 0.000 1.170 88 A CA 0.765 52.259 52.037 -0.904 0.000 0.656 88 A CB 0.113 18.278 19.000 -1.393 0.000 0.821 88 A HN 0.223 nan 8.150 nan 0.000 0.449 99 E N -0.447 119.784 120.200 0.052 0.000 2.441 99 E HA 0.271 4.621 4.350 -0.000 0.000 0.207 99 E C 1.401 178.066 176.600 0.107 0.000 0.803 99 E CA 0.369 56.815 56.400 0.076 0.000 1.240 99 E CB 0.948 30.672 29.700 0.040 0.000 1.233 99 E HN 0.662 nan 8.360 nan 0.000 0.590 100 G N 0.907 109.719 108.800 0.020 0.000 2.580 100 G HA2 0.489 4.449 3.960 -0.000 0.000 0.278 100 G HA3 0.489 4.449 3.960 -0.000 0.000 0.278 100 G C -0.441 174.473 174.900 0.024 0.000 1.212 100 G CA -0.192 44.842 45.100 -0.111 0.000 0.939 100 G HN 0.151 nan 8.290 nan 0.000 0.513 101 F N -3.228 116.651 119.950 -0.119 0.000 2.842 101 F HA 0.581 5.108 4.527 -0.000 0.000 0.319 101 F C -1.433 174.259 175.800 -0.180 0.000 1.159 101 F CA -1.502 56.425 58.000 -0.121 0.000 0.902 101 F CB 1.713 40.638 39.000 -0.125 0.000 1.311 101 F HN 0.675 nan 8.300 nan 0.000 0.453 102 V N 1.412 121.402 119.914 0.127 0.000 2.516 102 V HA 0.473 4.593 4.120 -0.000 0.000 0.271 102 V C -1.374 174.795 176.094 0.125 0.000 0.992 102 V CA 0.103 62.411 62.300 0.013 0.000 0.857 102 V CB 1.048 32.834 31.823 -0.062 0.000 1.047 102 V HN 0.964 nan 8.190 nan 0.000 0.455 103 E N 3.698 123.997 120.200 0.165 0.000 2.202 103 E HA 0.682 5.032 4.350 -0.000 0.000 0.272 103 E C -1.346 175.367 176.600 0.188 0.000 0.951 103 E CA -0.714 55.790 56.400 0.173 0.000 0.813 103 E CB 2.385 32.197 29.700 0.185 0.000 1.151 103 E HN 0.533 nan 8.360 nan 0.000 0.398 104 V N 5.178 125.172 119.914 0.134 0.000 2.394 104 V HA 0.282 4.402 4.120 -0.000 0.000 0.282 104 V C -0.266 175.857 176.094 0.047 0.000 1.031 104 V CA -0.502 61.856 62.300 0.096 0.000 0.881 104 V CB 1.064 32.939 31.823 0.086 0.000 0.982 104 V HN 0.552 nan 8.190 nan 0.000 0.451 105 L N 5.122 126.330 121.223 -0.026 0.000 2.294 105 L HA 0.698 5.038 4.340 -0.000 0.000 0.283 105 L C 0.440 177.317 176.870 0.011 0.000 1.015 105 L CA -0.474 54.249 54.840 -0.195 0.000 0.831 105 L CB 1.484 43.090 42.059 -0.754 0.000 1.217 105 L HN 0.684 nan 8.230 nan 0.000 0.420 106 A N 2.259 125.157 122.820 0.130 0.000 2.363 106 A HA 0.624 4.944 4.320 -0.000 0.000 0.270 106 A C 0.991 178.739 177.584 0.273 0.000 1.121 106 A CA 0.255 52.403 52.037 0.185 0.000 0.800 106 A CB 1.144 20.251 19.000 0.179 0.000 1.052 106 A HN 0.905 nan 8.150 nan 0.000 0.493 107 A N 1.872 124.813 122.820 0.202 0.000 1.975 107 A HA 0.169 4.489 4.320 -0.000 0.000 0.215 107 A C 1.036 178.696 177.584 0.126 0.000 1.170 107 A CA 0.925 53.062 52.037 0.167 0.000 0.656 107 A CB -0.039 19.033 19.000 0.120 0.000 0.821 107 A HN 0.848 nan 8.150 nan 0.000 0.449 108 Q N -1.175 118.713 119.800 0.147 0.000 2.416 108 Q HA 0.351 4.691 4.340 -0.000 0.000 0.279 108 Q C -0.390 175.693 176.000 0.139 0.000 1.101 108 Q CA -0.857 55.025 55.803 0.132 0.000 0.830 108 Q CB 1.029 29.853 28.738 0.143 0.000 1.402 108 Q HN 0.268 nan 8.270 nan 0.000 0.445 109 Q N -0.236 119.624 119.800 0.099 0.000 2.403 109 Q HA 0.171 4.511 4.340 -0.000 0.000 0.203 109 Q C 0.085 176.126 176.000 0.069 0.000 0.932 109 Q CA 0.226 56.078 55.803 0.082 0.000 0.945 109 Q CB 0.805 29.575 28.738 0.053 0.000 1.045 109 Q HN 0.397 nan 8.270 nan 0.000 0.511 110 S N 0.613 116.359 115.700 0.077 0.000 2.567 110 S HA 0.397 4.867 4.470 -0.000 0.000 0.270 110 S C -2.543 172.055 174.600 -0.004 0.000 1.152 110 S CA -1.039 57.170 58.200 0.016 0.000 0.835 110 S CB 1.742 64.938 63.200 -0.006 0.000 1.115 110 S HN -0.118 nan 8.310 nan 0.000 0.459 111 P HA 0.300 nan 4.420 nan 0.000 0.253 111 P C -0.195 176.971 177.300 -0.224 0.000 1.260 111 P CA 0.291 63.007 63.100 -0.640 0.000 0.800 111 P CB 0.100 31.009 31.700 -1.318 0.000 1.162 120 T N -3.633 110.985 114.554 0.106 0.000 3.304 120 T HA 0.449 4.799 4.350 -0.000 0.000 0.269 120 T C 2.205 177.048 174.700 0.238 0.000 0.895 120 T CA 1.591 63.775 62.100 0.140 0.000 0.948 120 T CB -0.172 68.784 68.868 0.146 0.000 1.242 120 T HN 1.488 nan 8.240 nan 0.000 0.522 121 A N 1.697 124.686 122.820 0.281 0.000 2.119 121 A HA 0.123 4.443 4.320 -0.000 0.000 0.216 121 A C 1.916 179.624 177.584 0.207 0.000 1.152 121 A CA 1.373 53.622 52.037 0.353 0.000 0.708 121 A CB -0.572 18.421 19.000 -0.011 0.000 0.805 121 A HN 0.552 nan 8.150 nan 0.000 0.460 122 D N 0.347 120.826 120.400 0.132 0.000 2.149 122 D HA 0.000 4.640 4.640 -0.000 0.000 0.201 122 D C 2.245 178.604 176.300 0.097 0.000 0.972 122 D CA 1.292 55.344 54.000 0.087 0.000 0.835 122 D CB -0.272 40.562 40.800 0.057 0.000 0.966 122 D HN 0.410 nan 8.370 nan 0.000 0.476 123 A N 0.930 123.824 122.820 0.124 0.000 1.877 123 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 123 A C 2.553 180.257 177.584 0.200 0.000 1.186 123 A CA 1.158 53.280 52.037 0.141 0.000 0.620 123 A CB -0.789 18.288 19.000 0.130 0.000 0.822 123 A HN 0.119 nan 8.150 nan 0.000 0.443 124 V N -0.096 119.954 119.914 0.227 0.000 2.307 124 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 124 V C 2.651 178.896 176.094 0.251 0.000 1.045 124 V CA 2.293 64.777 62.300 0.307 0.000 1.024 124 V CB -0.778 31.207 31.823 0.270 0.000 0.651 124 V HN 0.656 nan 8.190 nan 0.000 0.449 125 R N -0.044 120.564 120.500 0.180 0.000 2.094 125 R HA -0.290 4.050 4.340 -0.000 0.000 0.239 125 R C 2.480 178.797 176.300 0.028 0.000 1.137 125 R CA 2.398 58.559 56.100 0.103 0.000 0.943 125 R CB -0.481 29.867 30.300 0.079 0.000 0.850 125 R HN 0.654 nan 8.270 nan 0.000 0.433 126 Q N -0.723 119.066 119.800 -0.019 0.000 2.242 126 Q HA -0.239 4.101 4.340 -0.000 0.000 0.211 126 Q C 0.558 176.379 176.000 -0.298 0.000 0.992 126 Q CA 2.064 57.774 55.803 -0.156 0.000 0.889 126 Q CB -0.104 28.485 28.738 -0.249 0.000 0.913 126 Q HN 0.617 nan 8.270 nan 0.000 0.422 127 Y N -0.762 119.372 120.300 -0.278 0.000 2.584 127 Y HA 0.213 4.763 4.550 0.000 0.000 0.254 127 Y C 1.296 176.420 175.900 -1.293 0.000 1.177 127 Y CA -0.521 57.000 58.100 -0.965 0.000 1.216 127 Y CB 0.570 38.222 38.460 -1.347 0.000 1.172 127 Y HN 0.062 nan 8.280 nan 0.000 0.529 128 L N 0.279 121.261 121.223 -0.402 0.000 2.089 128 L HA -0.298 4.042 4.340 -0.000 0.000 0.213 128 L C 2.494 179.260 176.870 -0.172 0.000 1.079 128 L CA 1.697 56.439 54.840 -0.162 0.000 0.758 128 L CB -0.542 41.551 42.059 0.057 0.000 0.891 128 L HN 0.616 nan 8.230 nan 0.000 0.433 129 W N -0.406 120.823 121.300 -0.118 0.000 2.364 129 W HA -0.215 4.445 4.660 -0.000 0.000 0.281 129 W C 1.975 178.448 176.519 -0.076 0.000 1.219 129 W CA 0.523 57.826 57.345 -0.070 0.000 1.220 129 W CB -0.922 28.490 29.460 -0.079 0.000 1.127 129 W HN 0.186 nan 8.180 nan 0.000 0.556 130 L N 0.338 120.859 121.223 -1.170 0.000 2.127 130 L HA 0.125 4.465 4.340 -0.000 0.000 0.203 130 L C 2.575 179.267 176.870 -0.297 0.000 1.080 130 L CA 1.588 55.833 54.840 -0.992 0.000 0.768 130 L CB -1.106 40.017 42.059 -1.560 0.000 0.924 130 L HN -0.143 nan 8.230 nan 0.000 0.444 131 F N -0.114 119.713 119.950 -0.205 0.000 2.186 131 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 131 F C 2.356 178.319 175.800 0.271 0.000 1.090 131 F CA 0.733 58.792 58.000 0.099 0.000 1.307 131 F CB -0.302 38.559 39.000 -0.233 0.000 1.019 131 F HN 0.130 nan 8.300 nan 0.000 0.489 132 E N 0.532 120.910 120.200 0.297 0.000 2.070 132 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 132 E C 2.090 178.819 176.600 0.215 0.000 1.004 132 E CA 1.384 57.948 56.400 0.272 0.000 0.805 132 E CB -0.157 29.652 29.700 0.181 0.000 0.744 132 E HN 0.342 nan 8.360 nan 0.000 0.451 133 E N 0.482 120.754 120.200 0.119 0.000 2.085 133 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 133 E C 0.526 177.141 176.600 0.026 0.000 0.994 133 E CA 0.799 57.214 56.400 0.026 0.000 0.801 133 E CB -0.437 29.217 29.700 -0.078 0.000 0.743 133 E HN 0.411 nan 8.360 nan 0.000 0.453 134 H N 1.258 120.451 119.070 0.204 0.000 3.070 134 H HA 0.015 4.571 4.556 -0.000 0.000 0.313 134 H C 0.289 175.700 175.328 0.139 0.000 0.997 134 H CA 0.723 56.892 56.048 0.202 0.000 1.438 134 H CB 0.051 29.993 29.762 0.301 0.000 1.455 134 H HN -0.029 nan 8.280 nan 0.000 0.575 135 T N 1.590 116.261 114.554 0.194 0.000 2.863 135 T HA 0.456 4.806 4.350 -0.000 0.000 0.299 135 T C 0.577 175.319 174.700 0.070 0.000 0.973 135 T CA -0.790 61.373 62.100 0.106 0.000 0.994 135 T CB -0.659 68.253 68.868 0.073 0.000 0.961 135 T HN 0.412 nan 8.240 nan 0.000 0.552 136 V N 1.311 121.232 119.914 0.010 0.000 3.156 136 V HA 0.628 4.748 4.120 -0.000 0.000 0.311 136 V C 0.440 176.448 176.094 -0.143 0.000 1.208 136 V CA -1.214 61.041 62.300 -0.076 0.000 1.063 136 V CB 1.485 33.227 31.823 -0.135 0.000 1.098 136 V HN 0.625 nan 8.190 nan 0.000 0.452 137 L N -0.986 120.134 121.223 -0.173 0.000 2.467 137 L HA 0.510 4.850 4.340 -0.000 0.000 0.213 137 L C 0.467 177.184 176.870 -0.255 0.000 1.053 137 L CA 0.553 55.297 54.840 -0.161 0.000 0.847 137 L CB 0.306 42.307 42.059 -0.095 0.000 1.075 137 L HN 0.743 nan 8.230 nan 0.000 0.479 138 E N -1.517 118.480 120.200 -0.338 0.000 2.392 138 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 138 E C -1.685 174.643 176.600 -0.453 0.000 0.924 138 E CA -0.512 55.641 56.400 -0.412 0.000 0.784 138 E CB 1.656 31.105 29.700 -0.419 0.000 1.292 138 E HN -0.153 nan 8.360 nan 0.000 0.447 139 Y N 0.758 120.937 120.300 -0.202 0.000 2.388 139 Y HA 0.356 4.906 4.550 -0.000 0.000 0.328 139 Y C -0.430 175.325 175.900 -0.242 0.000 0.963 139 Y CA -0.707 57.267 58.100 -0.211 0.000 1.240 139 Y CB 0.965 39.323 38.460 -0.169 0.000 1.118 139 Y HN 0.329 nan 8.280 nan 0.000 0.484 140 L N 5.415 126.567 121.223 -0.119 0.000 2.319 140 L HA 0.402 4.742 4.340 -0.000 0.000 0.280 140 L C -0.966 175.802 176.870 -0.171 0.000 1.099 140 L CA -0.315 54.411 54.840 -0.190 0.000 0.828 140 L CB 0.237 42.116 42.059 -0.300 0.000 1.150 140 L HN 0.471 nan 8.230 nan 0.000 0.442 141 I N 6.795 127.305 120.570 -0.100 0.000 2.404 141 I HA 0.352 4.522 4.170 -0.000 0.000 0.293 141 I C -0.331 175.733 176.117 -0.089 0.000 0.992 141 I CA -0.525 60.705 61.300 -0.116 0.000 1.149 141 I CB 1.601 39.540 38.000 -0.100 0.000 1.315 141 I HN 0.538 nan 8.210 nan 0.000 0.446 142 L N 5.819 126.977 121.223 -0.109 0.000 2.427 142 L HA 0.683 5.023 4.340 -0.000 0.000 0.264 142 L C -0.053 176.799 176.870 -0.030 0.000 0.989 142 L CA -0.410 54.396 54.840 -0.056 0.000 0.865 142 L CB 1.697 43.721 42.059 -0.058 0.000 1.209 142 L HN 0.692 nan 8.230 nan 0.000 0.430 143 A N 2.336 125.156 122.820 0.000 0.000 2.340 143 A HA 0.978 5.298 4.320 -0.000 0.000 0.331 143 A C 0.310 177.886 177.584 -0.013 0.000 1.140 143 A CA 0.006 52.043 52.037 0.001 0.000 0.801 143 A CB 1.534 20.557 19.000 0.040 0.000 1.234 143 A HN 0.922 nan 8.150 nan 0.000 0.469 144 G N 0.902 109.646 108.800 -0.094 0.000 2.746 144 G HA2 0.173 4.133 3.960 -0.000 0.000 0.685 144 G HA3 0.173 4.133 3.960 -0.000 0.000 0.685 144 G C -1.248 173.352 174.900 -0.500 0.000 1.350 144 G CA -0.194 44.758 45.100 -0.247 0.000 0.837 144 G HN 0.967 nan 8.290 nan 0.000 0.564 145 D N 0.974 120.985 120.400 -0.649 0.000 2.629 145 D HA 0.704 5.344 4.640 -0.000 0.000 0.250 145 D C 0.097 175.984 176.300 -0.687 0.000 1.126 145 D CA -0.093 53.575 54.000 -0.553 0.000 0.852 145 D CB 0.989 41.652 40.800 -0.228 0.000 1.335 145 D HN 0.757 nan 8.370 nan 0.000 0.518 146 H N 0.564 119.506 119.070 -0.214 0.000 3.094 146 H HA 0.276 4.832 4.556 -0.000 0.000 0.335 146 H C -1.007 174.107 175.328 -0.357 0.000 1.254 146 H CA -1.020 54.801 56.048 -0.378 0.000 1.240 146 H CB 0.510 29.808 29.762 -0.774 0.000 1.936 146 H HN 0.138 nan 8.280 nan 0.000 0.536 147 L N 2.815 123.843 121.223 -0.325 0.000 2.410 147 L HA 0.254 4.594 4.340 -0.000 0.000 0.273 147 L C -0.741 175.780 176.870 -0.582 0.000 1.152 147 L CA 0.017 54.471 54.840 -0.643 0.000 0.855 147 L CB -0.244 41.315 42.059 -0.832 0.000 1.129 147 L HN 0.700 nan 8.230 nan 0.000 0.463 148 Y N 1.539 121.380 120.300 -0.766 0.000 2.643 148 Y HA 0.461 5.011 4.550 0.000 0.000 0.347 148 Y C -1.423 174.458 175.900 -0.031 0.000 1.208 148 Y CA -1.344 56.569 58.100 -0.311 0.000 1.245 148 Y CB 0.892 39.163 38.460 -0.316 0.000 1.369 148 Y HN 0.532 nan 8.280 nan 0.000 0.487 149 R N 5.013 125.637 120.500 0.207 0.000 2.494 149 R HA 0.820 5.160 4.340 -0.000 0.000 0.305 149 R C -1.676 174.708 176.300 0.140 0.000 0.959 149 R CA -0.962 55.173 56.100 0.059 0.000 0.864 149 R CB 1.627 32.007 30.300 0.134 0.000 1.159 149 R HN 1.036 nan 8.270 nan 0.000 0.446 150 M N 3.556 123.103 119.600 -0.088 0.000 2.365 150 M HA 0.195 4.675 4.480 -0.000 0.000 0.288 150 M C -1.950 174.146 176.300 -0.340 0.000 1.152 150 M CA -0.672 54.599 55.300 -0.048 0.000 0.948 150 M CB 2.218 34.842 32.600 0.039 0.000 1.729 150 M HN 0.655 nan 8.290 nan 0.000 0.487 151 D N 3.008 123.340 120.400 -0.114 0.000 2.453 151 D HA 0.189 4.829 4.640 -0.000 0.000 0.223 151 D C 0.025 176.330 176.300 0.008 0.000 1.183 151 D CA 0.115 54.058 54.000 -0.095 0.000 0.933 151 D CB 0.099 40.908 40.800 0.015 0.000 1.038 151 D HN 0.561 nan 8.370 nan 0.000 0.513 152 Y N 1.617 122.004 120.300 0.145 0.000 2.556 152 Y HA -0.152 4.398 4.550 -0.000 0.000 0.290 152 Y C 2.013 177.976 175.900 0.105 0.000 1.149 152 Y CA 0.411 58.628 58.100 0.195 0.000 1.329 152 Y CB -0.124 38.424 38.460 0.147 0.000 0.975 152 Y HN 0.488 nan 8.280 nan 0.000 0.561 153 E N 0.704 121.010 120.200 0.177 0.000 2.047 153 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 153 E C 1.904 178.544 176.600 0.067 0.000 0.987 153 E CA 1.040 57.493 56.400 0.089 0.000 0.799 153 E CB -0.049 29.689 29.700 0.063 0.000 0.752 153 E HN 0.483 nan 8.360 nan 0.000 0.449 154 K N 0.011 120.475 120.400 0.107 0.000 2.283 154 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 154 K C 1.876 178.484 176.600 0.014 0.000 1.048 154 K CA 0.608 56.966 56.287 0.119 0.000 0.948 154 K CB -0.100 32.531 32.500 0.218 0.000 0.742 154 K HN 0.099 nan 8.250 nan 0.000 0.458 155 F N 1.417 121.180 119.950 -0.312 0.000 2.407 155 F HA 0.016 4.543 4.527 -0.000 0.000 0.299 155 F C 1.502 177.080 175.800 -0.369 0.000 1.097 155 F CA 0.730 58.259 58.000 -0.785 0.000 1.422 155 F CB 0.014 38.721 39.000 -0.488 0.000 1.067 155 F HN -0.125 nan 8.300 nan 0.000 0.539 156 I N -0.429 119.986 120.570 -0.259 0.000 2.731 156 I HA -0.147 4.023 4.170 -0.000 0.000 0.260 156 I C 2.339 178.389 176.117 -0.111 0.000 1.138 156 I CA 0.641 61.767 61.300 -0.290 0.000 1.461 156 I CB -0.483 37.386 38.000 -0.217 0.000 1.128 156 I HN 0.111 nan 8.210 nan 0.000 0.438 157 Q N 1.741 121.511 119.800 -0.050 0.000 2.181 157 Q HA -0.222 4.118 4.340 -0.000 0.000 0.205 157 Q C 2.187 178.200 176.000 0.022 0.000 0.980 157 Q CA 1.968 57.772 55.803 0.002 0.000 0.862 157 Q CB 0.018 28.774 28.738 0.030 0.000 0.905 157 Q HN 0.525 nan 8.270 nan 0.000 0.429 158 A N 0.232 123.063 122.820 0.019 0.000 1.832 158 A HA -0.245 4.075 4.320 -0.000 0.000 0.214 158 A C 1.829 179.448 177.584 0.058 0.000 1.200 158 A CA 1.684 53.767 52.037 0.077 0.000 0.610 158 A CB -1.337 17.747 19.000 0.140 0.000 0.842 158 A HN 0.731 nan 8.150 nan 0.000 0.444 159 H N -0.497 118.522 119.070 -0.086 0.000 2.496 159 H HA -0.140 4.416 4.556 -0.000 0.000 0.296 159 H C 2.165 177.459 175.328 -0.058 0.000 1.107 159 H CA 2.075 58.071 56.048 -0.086 0.000 1.263 159 H CB 0.015 29.653 29.762 -0.207 0.000 1.369 159 H HN 0.450 nan 8.280 nan 0.000 0.541 160 R N -0.178 120.355 120.500 0.056 0.000 2.075 160 R HA -0.013 4.327 4.340 -0.000 0.000 0.220 160 R C 2.217 178.507 176.300 -0.017 0.000 1.118 160 R CA 1.277 57.393 56.100 0.027 0.000 0.986 160 R CB 0.081 30.404 30.300 0.037 0.000 0.884 160 R HN 0.552 nan 8.270 nan 0.000 0.439 161 E N 0.196 120.395 120.200 -0.001 0.000 2.208 161 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 161 E C 1.220 177.813 176.600 -0.012 0.000 0.988 161 E CA 1.485 57.886 56.400 0.001 0.000 0.828 161 E CB 0.039 29.752 29.700 0.021 0.000 0.763 161 E HN 0.346 nan 8.360 nan 0.000 0.478 162 T N -1.066 113.471 114.554 -0.028 0.000 3.235 162 T HA -0.012 4.338 4.350 -0.000 0.000 0.251 162 T C 0.687 175.339 174.700 -0.081 0.000 1.060 162 T CA 0.023 62.101 62.100 -0.036 0.000 0.949 162 T CB 0.050 68.909 68.868 -0.014 0.000 1.020 162 T HN 0.007 nan 8.240 nan 0.000 0.564 163 D N 1.049 121.392 120.400 -0.096 0.000 2.845 163 D HA -0.210 4.430 4.640 -0.000 0.000 0.229 163 D C 0.390 176.587 176.300 -0.172 0.000 1.170 163 D CA 0.782 54.719 54.000 -0.106 0.000 0.717 163 D CB -1.232 39.536 40.800 -0.052 0.000 1.073 163 D HN 0.847 nan 8.370 nan 0.000 0.424 164 A N 0.122 122.749 122.820 -0.321 0.000 2.425 164 A HA 0.182 4.502 4.320 -0.000 0.000 0.242 164 A C 1.108 178.404 177.584 -0.480 0.000 1.077 164 A CA 0.357 52.158 52.037 -0.394 0.000 0.781 164 A CB 0.459 19.184 19.000 -0.457 0.000 1.020 164 A HN 0.218 nan 8.150 nan 0.000 0.494 165 D N -0.113 120.213 120.400 -0.124 0.000 2.423 165 D HA 0.255 4.895 4.640 -0.000 0.000 0.208 165 D C -0.275 176.198 176.300 0.288 0.000 1.068 165 D CA 0.903 54.954 54.000 0.085 0.000 0.860 165 D CB 0.511 41.355 40.800 0.074 0.000 0.992 165 D HN 0.460 nan 8.370 nan 0.000 0.504 166 I N 0.751 121.476 120.570 0.258 0.000 2.651 166 I HA 0.063 4.233 4.170 -0.000 0.000 0.287 166 I C -1.155 175.161 176.117 0.332 0.000 1.244 166 I CA -0.165 61.327 61.300 0.320 0.000 1.061 166 I CB 2.476 40.606 38.000 0.217 0.000 1.286 166 I HN -0.374 nan 8.210 nan 0.000 0.434 167 T N 5.378 120.199 114.554 0.445 0.000 2.772 167 T HA 0.515 4.865 4.350 -0.000 0.000 0.288 167 T C -0.108 174.909 174.700 0.527 0.000 0.994 167 T CA -0.454 61.896 62.100 0.416 0.000 0.951 167 T CB 1.790 70.882 68.868 0.372 0.000 0.933 167 T HN 0.144 nan 8.240 nan 0.000 0.447 168 V N 2.402 122.613 119.914 0.496 0.000 2.617 168 V HA 0.686 4.806 4.120 -0.000 0.000 0.298 168 V C 0.670 176.947 176.094 0.305 0.000 1.048 168 V CA -1.290 61.306 62.300 0.493 0.000 0.964 168 V CB 1.427 33.548 31.823 0.497 0.000 1.004 168 V HN 1.050 nan 8.190 nan 0.000 0.466 169 A N 3.108 125.959 122.820 0.051 0.000 2.491 169 A HA 0.627 4.947 4.320 -0.000 0.000 0.261 169 A C 0.445 177.948 177.584 -0.135 0.000 1.101 169 A CA 0.236 52.157 52.037 -0.193 0.000 0.772 169 A CB -0.151 18.596 19.000 -0.423 0.000 1.043 169 A HN 1.371 nan 8.150 nan 0.000 0.501 170 A N 3.237 125.993 122.820 -0.106 0.000 2.271 170 A HA 0.627 4.947 4.320 -0.000 0.000 0.317 170 A C -0.529 176.949 177.584 -0.176 0.000 1.245 170 A CA -0.397 51.571 52.037 -0.116 0.000 0.857 170 A CB 0.482 19.441 19.000 -0.067 0.000 1.175 170 A HN 1.142 nan 8.150 nan 0.000 0.512 171 L N 5.781 126.868 121.223 -0.226 0.000 2.342 171 L HA 0.514 4.854 4.340 -0.000 0.000 0.276 171 L C -2.364 174.402 176.870 -0.174 0.000 0.997 171 L CA -2.355 52.329 54.840 -0.260 0.000 0.838 171 L CB 2.645 44.388 42.059 -0.525 0.000 1.224 171 L HN 0.489 nan 8.230 nan 0.000 0.416 172 P HA 0.309 nan 4.420 nan 0.000 0.274 172 P C -1.278 176.003 177.300 -0.031 0.000 1.237 172 P CA -0.370 62.694 63.100 -0.061 0.000 0.793 172 P CB 1.492 33.150 31.700 -0.072 0.000 0.977 173 M N -0.714 118.909 119.600 0.038 0.000 2.895 173 M HA 0.332 4.812 4.480 -0.000 0.000 0.271 173 M C -0.452 175.896 176.300 0.079 0.000 1.174 173 M CA -0.850 54.480 55.300 0.051 0.000 0.816 173 M CB 1.087 33.731 32.600 0.074 0.000 1.647 173 M HN 0.178 nan 8.290 nan 0.000 0.506 174 D N 1.016 121.438 120.400 0.037 0.000 1.695 174 D HA 0.058 4.698 4.640 -0.000 0.000 0.313 174 D C 0.624 176.884 176.300 -0.067 0.000 1.070 174 D CA 1.143 55.155 54.000 0.020 0.000 0.883 174 D CB -0.016 40.781 40.800 -0.004 0.000 1.314 174 D HN 0.695 nan 8.370 nan 0.000 0.442 175 E N -0.931 119.193 120.200 -0.128 0.000 2.444 175 E HA 0.095 4.445 4.350 -0.000 0.000 0.203 175 E C 2.029 178.489 176.600 -0.234 0.000 0.847 175 E CA 0.038 56.287 56.400 -0.253 0.000 1.142 175 E CB -0.030 29.553 29.700 -0.195 0.000 1.125 175 E HN 0.349 nan 8.360 nan 0.000 0.521 176 K N 1.029 121.336 120.400 -0.156 0.000 2.211 176 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 176 K C 2.143 178.610 176.600 -0.222 0.000 1.047 176 K CA 0.957 57.151 56.287 -0.155 0.000 0.935 176 K CB 0.147 32.590 32.500 -0.094 0.000 0.728 176 K HN -0.034 nan 8.250 nan 0.000 0.452 177 R N 0.137 120.516 120.500 -0.202 0.000 2.055 177 R HA 0.066 4.406 4.340 -0.000 0.000 0.221 177 R C 2.457 178.524 176.300 -0.388 0.000 1.154 177 R CA 0.805 56.745 56.100 -0.268 0.000 0.975 177 R CB -0.351 29.978 30.300 0.048 0.000 0.869 177 R HN 0.120 nan 8.270 nan 0.000 0.437 178 A N 0.253 122.931 122.820 -0.237 0.000 1.954 178 A HA -0.281 4.039 4.320 -0.000 0.000 0.222 178 A C 2.140 179.542 177.584 -0.305 0.000 1.199 178 A CA 2.549 54.426 52.037 -0.267 0.000 0.657 178 A CB -1.015 17.607 19.000 -0.630 0.000 0.823 178 A HN 0.397 nan 8.150 nan 0.000 0.463 179 T N -1.752 112.587 114.554 -0.359 0.000 3.067 179 T HA 0.325 4.675 4.350 -0.000 0.000 0.257 179 T C 1.801 176.326 174.700 -0.291 0.000 1.105 179 T CA 1.239 63.173 62.100 -0.277 0.000 1.104 179 T CB -0.360 68.364 68.868 -0.241 0.000 0.925 179 T HN 0.560 nan 8.240 nan 0.000 0.498 180 A N 0.364 122.880 122.820 -0.507 0.000 1.968 180 A HA 0.312 4.632 4.320 -0.000 0.000 0.217 180 A C 0.302 177.583 177.584 -0.504 0.000 1.169 180 A CA 0.651 52.321 52.037 -0.612 0.000 0.638 180 A CB -0.225 18.203 19.000 -0.952 0.000 0.812 180 A HN 0.480 nan 8.150 nan 0.000 0.446 181 F N -1.379 118.559 119.950 -0.020 0.000 2.557 181 F HA 0.631 5.158 4.527 0.000 0.000 0.336 181 F C 1.083 176.894 175.800 0.018 0.000 1.058 181 F CA -1.536 56.465 58.000 0.001 0.000 0.988 181 F CB 0.042 39.031 39.000 -0.019 0.000 1.275 181 F HN 0.061 nan 8.300 nan 0.000 0.488 182 G N 0.435 109.389 108.800 0.256 0.000 2.594 182 G HA2 0.491 4.451 3.960 -0.000 0.000 0.243 182 G HA3 0.491 4.451 3.960 -0.000 0.000 0.243 182 G C -0.912 174.105 174.900 0.195 0.000 1.229 182 G CA -0.392 44.827 45.100 0.198 0.000 0.843 182 G HN 0.537 nan 8.290 nan 0.000 0.578 183 L N -0.381 120.940 121.223 0.163 0.000 2.303 183 L HA 0.629 4.969 4.340 -0.000 0.000 0.256 183 L C -0.133 176.732 176.870 -0.009 0.000 1.034 183 L CA -0.925 53.982 54.840 0.110 0.000 0.832 183 L CB 2.327 44.473 42.059 0.146 0.000 1.403 183 L HN 0.359 nan 8.230 nan 0.000 0.419 184 M N 1.367 120.907 119.600 -0.101 0.000 2.327 184 M HA 0.426 4.906 4.480 -0.000 0.000 0.298 184 M C -0.958 175.213 176.300 -0.215 0.000 1.065 184 M CA -0.464 54.646 55.300 -0.315 0.000 0.916 184 M CB 2.590 34.974 32.600 -0.360 0.000 1.630 184 M HN 0.355 nan 8.290 nan 0.000 0.442 185 K N 4.598 124.857 120.400 -0.235 0.000 2.183 185 K HA 0.749 5.069 4.320 -0.000 0.000 0.274 185 K C -1.140 175.371 176.600 -0.149 0.000 1.009 185 K CA -0.535 55.657 56.287 -0.158 0.000 0.888 185 K CB 1.216 33.646 32.500 -0.118 0.000 1.078 185 K HN 0.800 nan 8.250 nan 0.000 0.459 186 I N 0.177 120.678 120.570 -0.114 0.000 2.910 186 I HA 0.507 4.677 4.170 -0.000 0.000 0.310 186 I C -0.356 175.723 176.117 -0.063 0.000 1.043 186 I CA -1.044 60.207 61.300 -0.082 0.000 1.053 186 I CB 1.738 39.697 38.000 -0.068 0.000 1.242 186 I HN 0.661 nan 8.210 nan 0.000 0.452 187 D N 1.749 122.124 120.400 -0.042 0.000 2.475 187 D HA 0.097 4.737 4.640 -0.000 0.000 0.286 187 D C 0.029 176.311 176.300 -0.029 0.000 1.205 187 D CA -0.372 53.609 54.000 -0.032 0.000 1.092 187 D CB 0.082 40.870 40.800 -0.019 0.000 1.147 187 D HN 0.774 nan 8.370 nan 0.000 0.575 188 E N -1.037 119.150 120.200 -0.021 0.000 2.338 188 E HA 0.197 4.547 4.350 -0.000 0.000 0.231 188 E C -0.350 176.244 176.600 -0.011 0.000 1.231 188 E CA -0.187 56.202 56.400 -0.019 0.000 1.490 188 E CB -0.331 29.358 29.700 -0.017 0.000 1.360 188 E HN 0.506 nan 8.360 nan 0.000 0.435 189 E N -0.607 119.589 120.200 -0.007 0.000 2.671 189 E HA 0.147 4.497 4.350 -0.000 0.000 0.204 189 E C 0.885 177.491 176.600 0.010 0.000 0.940 189 E CA 0.052 56.454 56.400 0.002 0.000 1.328 189 E CB 1.277 30.979 29.700 0.003 0.000 1.214 189 E HN 0.393 nan 8.360 nan 0.000 0.624 190 G N 2.484 111.286 108.800 0.003 0.000 2.176 190 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.253 190 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.253 190 G C 0.424 175.336 174.900 0.019 0.000 0.979 190 G CA 0.404 45.512 45.100 0.013 0.000 0.641 190 G HN 0.132 nan 8.290 nan 0.000 0.530 191 R N 0.892 121.399 120.500 0.012 0.000 2.570 191 R HA 0.508 4.848 4.340 -0.000 0.000 0.277 191 R C 0.536 176.833 176.300 -0.006 0.000 1.039 191 R CA -0.093 56.017 56.100 0.016 0.000 1.065 191 R CB 0.017 30.325 30.300 0.013 0.000 0.964 191 R HN 0.317 nan 8.270 nan 0.000 0.428 192 I N 7.270 127.841 120.570 0.003 0.000 2.342 192 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 192 I C 1.178 177.267 176.117 -0.046 0.000 1.010 192 I CA -0.251 61.008 61.300 -0.069 0.000 1.308 192 I CB 1.185 39.133 38.000 -0.086 0.000 1.400 192 I HN 0.753 nan 8.210 nan 0.000 0.488 193 I N 1.200 121.715 120.570 -0.091 0.000 4.323 193 I HA 0.436 4.606 4.170 -0.000 0.000 0.328 193 I C 0.255 176.357 176.117 -0.025 0.000 1.310 193 I CA 0.044 61.327 61.300 -0.028 0.000 1.186 193 I CB 0.388 38.376 38.000 -0.021 0.000 1.130 193 I HN 0.491 nan 8.210 nan 0.000 0.411 194 E N 0.525 120.637 120.200 -0.147 0.000 2.433 194 E HA 0.632 4.982 4.350 -0.000 0.000 0.278 194 E C -1.824 174.585 176.600 -0.319 0.000 0.976 194 E CA -0.656 55.694 56.400 -0.082 0.000 0.793 194 E CB 2.859 32.536 29.700 -0.039 0.000 1.311 194 E HN -0.000 nan 8.360 nan 0.000 0.460 195 F N 0.618 120.587 119.950 0.031 0.000 2.569 195 F HA 0.656 5.183 4.527 -0.000 0.000 0.312 195 F C -0.614 175.209 175.800 0.038 0.000 1.109 195 F CA -0.638 57.385 58.000 0.038 0.000 0.919 195 F CB 2.294 41.313 39.000 0.031 0.000 1.211 195 F HN 0.459 nan 8.300 nan 0.000 0.446 196 A N 2.420 125.360 122.820 0.199 0.000 2.385 196 A HA 0.673 4.993 4.320 -0.000 0.000 0.290 196 A C -1.184 176.480 177.584 0.133 0.000 1.094 196 A CA -0.812 51.307 52.037 0.136 0.000 0.729 196 A CB 0.869 19.924 19.000 0.093 0.000 1.194 196 A HN 0.521 nan 8.150 nan 0.000 0.442 197 E N 2.292 122.559 120.200 0.112 0.000 2.180 197 E HA 0.202 4.552 4.350 -0.000 0.000 0.283 197 E C -0.470 176.167 176.600 0.061 0.000 1.061 197 E CA -0.299 56.160 56.400 0.098 0.000 0.861 197 E CB 0.525 30.274 29.700 0.082 0.000 1.056 197 E HN 0.616 nan 8.360 nan 0.000 0.407 198 K N 1.329 121.759 120.400 0.050 0.000 3.490 198 K HA -0.161 4.159 4.320 -0.000 0.000 0.273 198 K C -2.241 174.350 176.600 -0.015 0.000 0.916 198 K CA 0.234 56.516 56.287 -0.008 0.000 0.718 198 K CB -1.284 31.206 32.500 -0.016 0.000 1.477 198 K HN 0.424 nan 8.250 nan 0.000 0.452 199 P HA 0.061 nan 4.420 nan 0.000 0.279 199 P C -0.583 176.696 177.300 -0.035 0.000 1.239 199 P CA -0.022 63.079 63.100 0.001 0.000 0.789 199 P CB 1.075 32.797 31.700 0.038 0.000 0.933 200 Q N 0.705 120.488 119.800 -0.028 0.000 2.528 200 Q HA 0.610 4.950 4.340 -0.000 0.000 0.289 200 Q C 0.511 176.500 176.000 -0.020 0.000 1.091 200 Q CA -0.779 54.996 55.803 -0.045 0.000 0.797 200 Q CB 1.798 30.505 28.738 -0.050 0.000 1.466 200 Q HN 0.703 nan 8.270 nan 0.000 0.436 201 G N 0.944 109.730 108.800 -0.023 0.000 2.556 201 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.283 201 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.283 201 G C 0.392 175.301 174.900 0.014 0.000 1.177 201 G CA 0.517 45.613 45.100 -0.005 0.000 0.978 201 G HN 0.726 nan 8.290 nan 0.000 0.554 202 E N 0.430 120.640 120.200 0.016 0.000 2.427 202 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 202 E C 2.369 178.989 176.600 0.033 0.000 1.028 202 E CA 0.960 57.374 56.400 0.024 0.000 0.864 202 E CB 0.110 29.820 29.700 0.017 0.000 0.813 202 E HN 0.543 nan 8.360 nan 0.000 0.514 203 Q N 0.545 120.365 119.800 0.034 0.000 2.297 203 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 203 Q C 2.146 178.188 176.000 0.070 0.000 0.931 203 Q CA 0.110 55.939 55.803 0.042 0.000 0.885 203 Q CB 0.274 29.032 28.738 0.034 0.000 0.991 203 Q HN 0.294 nan 8.270 nan 0.000 0.498 204 L N 0.580 121.844 121.223 0.067 0.000 2.093 204 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 204 L C 2.005 179.023 176.870 0.245 0.000 1.085 204 L CA 1.060 55.963 54.840 0.105 0.000 0.755 204 L CB -0.030 42.026 42.059 -0.004 0.000 0.904 204 L HN 0.302 nan 8.230 nan 0.000 0.435 205 Q N -0.162 119.734 119.800 0.160 0.000 2.123 205 Q HA -0.044 4.296 4.340 -0.000 0.000 0.199 205 Q C 2.019 178.074 176.000 0.091 0.000 0.966 205 Q CA 1.340 57.240 55.803 0.162 0.000 0.845 205 Q CB -0.456 28.335 28.738 0.089 0.000 0.907 205 Q HN 0.551 nan 8.270 nan 0.000 0.439 206 A N -0.134 122.726 122.820 0.065 0.000 2.258 206 A HA 0.018 4.338 4.320 -0.000 0.000 0.206 206 A C 1.398 178.988 177.584 0.011 0.000 1.222 206 A CA 0.548 52.599 52.037 0.024 0.000 0.822 206 A CB -0.152 18.861 19.000 0.022 0.000 0.804 206 A HN 0.127 nan 8.150 nan 0.000 0.483 207 M N -0.806 118.822 119.600 0.048 0.000 2.306 207 M HA 0.198 4.678 4.480 -0.000 0.000 0.292 207 M C 0.194 176.335 176.300 -0.265 0.000 1.018 207 M CA 0.259 55.569 55.300 0.018 0.000 1.007 207 M CB -0.260 32.461 32.600 0.200 0.000 1.510 207 M HN 0.190 nan 8.290 nan 0.000 0.537 208 K N 1.241 121.371 120.400 -0.450 0.000 2.414 208 K HA 0.157 4.477 4.320 -0.000 0.000 0.272 208 K C 1.013 177.330 176.600 -0.471 0.000 0.993 208 K CA 0.113 55.880 56.287 -0.867 0.000 0.964 208 K CB 1.409 33.610 32.500 -0.499 0.000 0.925 208 K HN 0.061 nan 8.250 nan 0.000 0.487 209 V N -2.234 117.411 119.914 -0.447 0.000 3.380 209 V HA 0.057 4.177 4.120 -0.000 0.000 0.277 209 V C -0.301 175.683 176.094 -0.183 0.000 1.590 209 V CA -0.077 62.072 62.300 -0.253 0.000 1.019 209 V CB -0.221 31.475 31.823 -0.211 0.000 0.828 209 V HN 0.975 nan 8.190 nan 0.000 0.427 210 D N 2.878 123.164 120.400 -0.190 0.000 3.729 210 D HA -0.185 4.455 4.640 -0.000 0.000 0.242 210 D C 0.904 177.142 176.300 -0.103 0.000 1.091 210 D CA 1.018 54.944 54.000 -0.124 0.000 1.096 210 D CB -0.991 39.751 40.800 -0.097 0.000 0.901 210 D HN 0.863 nan 8.370 nan 0.000 0.416 211 T N 0.007 114.501 114.554 -0.100 0.000 3.438 211 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 211 T C 1.653 176.310 174.700 -0.071 0.000 1.199 211 T CA 1.124 63.173 62.100 -0.086 0.000 1.019 211 T CB -0.224 68.595 68.868 -0.081 0.000 0.942 211 T HN 0.379 nan 8.240 nan 0.000 0.562 212 T N 1.912 116.428 114.554 -0.063 0.000 2.821 212 T HA 0.094 4.444 4.350 -0.000 0.000 0.267 212 T C 1.781 176.453 174.700 -0.046 0.000 1.046 212 T CA 0.991 63.060 62.100 -0.051 0.000 1.139 212 T CB -0.268 68.574 68.868 -0.044 0.000 0.871 212 T HN 0.498 nan 8.240 nan 0.000 0.454 213 I N 0.775 121.318 120.570 -0.046 0.000 2.226 213 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 213 I C 2.268 178.365 176.117 -0.033 0.000 1.100 213 I CA 1.148 62.427 61.300 -0.035 0.000 1.374 213 I CB -0.418 37.561 38.000 -0.034 0.000 1.057 213 I HN 0.211 nan 8.210 nan 0.000 0.413 214 L N -0.121 121.073 121.223 -0.049 0.000 2.017 214 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 214 L C 1.940 178.764 176.870 -0.076 0.000 1.073 214 L CA 1.818 56.622 54.840 -0.060 0.000 0.745 214 L CB -0.599 41.407 42.059 -0.088 0.000 0.894 214 L HN 0.516 nan 8.230 nan 0.000 0.432 215 G N -1.820 106.933 108.800 -0.078 0.000 4.359 215 G HA2 0.034 3.994 3.960 -0.000 0.000 0.184 215 G HA3 0.034 3.994 3.960 -0.000 0.000 0.184 215 G C 0.066 174.924 174.900 -0.070 0.000 1.095 215 G CA -0.566 44.487 45.100 -0.077 0.000 0.970 215 G HN -0.011 nan 8.290 nan 0.000 0.317 216 L N 2.642 123.815 121.223 -0.084 0.000 2.586 216 L HA 0.132 4.472 4.340 -0.000 0.000 0.307 216 L C 1.326 178.164 176.870 -0.054 0.000 1.274 216 L CA 0.613 55.410 54.840 -0.071 0.000 0.857 216 L CB 0.159 42.173 42.059 -0.075 0.000 1.099 216 L HN 0.718 nan 8.230 nan 0.000 0.525 217 D N 0.326 120.699 120.400 -0.045 0.000 2.206 217 D HA -0.006 4.634 4.640 -0.000 0.000 0.272 217 D C 0.284 176.563 176.300 -0.035 0.000 1.196 217 D CA -0.090 53.888 54.000 -0.036 0.000 1.012 217 D CB 0.291 41.072 40.800 -0.031 0.000 1.139 217 D HN 0.495 nan 8.370 nan 0.000 0.522 218 D N -1.944 118.439 120.400 -0.029 0.000 2.259 218 D HA -0.001 4.639 4.640 -0.000 0.000 0.216 218 D C 1.656 177.941 176.300 -0.025 0.000 0.961 218 D CA 0.504 54.487 54.000 -0.028 0.000 0.878 218 D CB 0.159 40.945 40.800 -0.023 0.000 1.009 218 D HN 0.115 nan 8.370 nan 0.000 0.490 219 K N 0.454 120.841 120.400 -0.022 0.000 2.288 219 K HA 0.023 4.343 4.320 -0.000 0.000 0.201 219 K C 1.972 178.561 176.600 -0.019 0.000 1.048 219 K CA 0.512 56.788 56.287 -0.018 0.000 0.956 219 K CB 0.152 32.642 32.500 -0.016 0.000 0.746 219 K HN -0.014 nan 8.250 nan 0.000 0.461 220 R N 0.956 121.441 120.500 -0.025 0.000 2.075 220 R HA 0.133 4.473 4.340 -0.000 0.000 0.220 220 R C 2.117 178.400 176.300 -0.028 0.000 1.118 220 R CA 1.247 57.330 56.100 -0.028 0.000 0.986 220 R CB -0.567 29.710 30.300 -0.038 0.000 0.884 220 R HN 0.105 nan 8.270 nan 0.000 0.439 221 A N 0.980 123.779 122.820 -0.034 0.000 1.865 221 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 221 A C 1.922 179.490 177.584 -0.028 0.000 1.191 221 A CA 2.009 54.022 52.037 -0.039 0.000 0.623 221 A CB -0.524 18.447 19.000 -0.049 0.000 0.826 221 A HN 0.204 nan 8.150 nan 0.000 0.444 222 K N 0.352 120.738 120.400 -0.023 0.000 2.113 222 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 222 K C 1.740 178.344 176.600 0.006 0.000 1.047 222 K CA 1.818 58.097 56.287 -0.013 0.000 0.928 222 K CB -0.345 32.148 32.500 -0.012 0.000 0.716 222 K HN 0.732 nan 8.250 nan 0.000 0.446 223 E N -0.771 119.431 120.200 0.004 0.000 2.268 223 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 223 E C -0.109 176.512 176.600 0.034 0.000 0.995 223 E CA 0.698 57.107 56.400 0.015 0.000 0.836 223 E CB 0.080 29.782 29.700 0.004 0.000 0.763 223 E HN 0.242 nan 8.360 nan 0.000 0.491 224 M N 0.350 119.972 119.600 0.037 0.000 2.302 224 M HA 0.145 4.625 4.480 -0.000 0.000 0.207 224 M C -2.458 173.877 176.300 0.057 0.000 1.016 224 M CA -0.926 54.420 55.300 0.077 0.000 0.941 224 M CB 2.489 35.115 32.600 0.044 0.000 2.701 224 M HN -0.201 nan 8.290 nan 0.000 0.377 225 P HA 0.168 nan 4.420 nan 0.000 0.256 225 P C -0.710 176.354 177.300 -0.392 0.000 1.384 225 P CA 0.340 63.343 63.100 -0.162 0.000 0.879 225 P CB -0.177 31.388 31.700 -0.225 0.000 1.403 226 F N 1.758 121.684 119.950 -0.040 0.000 2.493 226 F HA 0.418 4.945 4.527 -0.000 0.000 0.329 226 F C 0.886 176.659 175.800 -0.045 0.000 1.126 226 F CA -1.400 56.577 58.000 -0.038 0.000 0.937 226 F CB 1.609 40.592 39.000 -0.027 0.000 1.146 226 F HN -0.216 nan 8.300 nan 0.000 0.442 227 I N 1.332 121.947 120.570 0.074 0.000 2.354 227 I HA 0.912 5.082 4.170 -0.000 0.000 0.292 227 I C -0.656 175.478 176.117 0.028 0.000 0.989 227 I CA -0.779 60.527 61.300 0.010 0.000 1.188 227 I CB 1.576 39.546 38.000 -0.050 0.000 1.342 227 I HN 0.577 nan 8.210 nan 0.000 0.457 228 A N 4.310 127.125 122.820 -0.009 0.000 2.342 228 A HA 0.600 4.920 4.320 -0.000 0.000 0.323 228 A C -0.027 177.487 177.584 -0.116 0.000 1.125 228 A CA -0.593 51.440 52.037 -0.007 0.000 0.785 228 A CB 1.568 20.601 19.000 0.055 0.000 1.221 228 A HN 0.819 nan 8.150 nan 0.000 0.463 229 S N 1.464 117.145 115.700 -0.031 0.000 2.568 229 S HA 0.220 4.690 4.470 -0.000 0.000 0.282 229 S C 1.043 175.496 174.600 -0.246 0.000 1.338 229 S CA 0.107 58.280 58.200 -0.044 0.000 1.045 229 S CB 0.054 63.354 63.200 0.166 0.000 0.873 229 S HN 0.589 nan 8.310 nan 0.000 0.516 230 M N 3.333 122.715 119.600 -0.363 0.000 2.545 230 M HA 0.272 4.752 4.480 -0.000 0.000 0.264 230 M C 1.513 177.670 176.300 -0.238 0.000 1.155 230 M CA 0.857 55.828 55.300 -0.549 0.000 1.162 230 M CB 0.232 32.365 32.600 -0.778 0.000 1.330 230 M HN 0.947 nan 8.290 nan 0.000 0.479 231 G N 1.135 109.732 108.800 -0.339 0.000 2.159 231 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.170 231 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.170 231 G C -0.446 174.078 174.900 -0.627 0.000 1.007 231 G CA -0.684 44.239 45.100 -0.295 0.000 0.672 231 G HN 0.261 nan 8.290 nan 0.000 0.507 232 I N 0.940 120.989 120.570 -0.869 0.000 2.436 232 I HA 0.770 4.940 4.170 -0.000 0.000 0.289 232 I C -0.456 175.292 176.117 -0.615 0.000 1.010 232 I CA -1.671 59.290 61.300 -0.566 0.000 1.098 232 I CB 1.533 39.399 38.000 -0.224 0.000 1.266 232 I HN 0.140 nan 8.210 nan 0.000 0.434 233 Y N 4.022 124.451 120.300 0.215 0.000 2.588 233 Y HA 0.745 5.294 4.550 -0.000 0.000 0.343 233 Y C -0.639 175.298 175.900 0.063 0.000 1.065 233 Y CA -1.487 56.779 58.100 0.278 0.000 1.038 233 Y CB 1.280 39.846 38.460 0.177 0.000 1.297 233 Y HN 0.113 nan 8.280 nan 0.000 0.467 234 V N 3.829 123.777 119.914 0.056 0.000 2.357 234 V HA 0.480 4.600 4.120 -0.000 0.000 0.284 234 V C -0.341 175.617 176.094 -0.227 0.000 1.018 234 V CA -0.643 61.445 62.300 -0.353 0.000 0.841 234 V CB 0.921 32.234 31.823 -0.850 0.000 0.991 234 V HN 0.580 nan 8.190 nan 0.000 0.437 235 I N 2.798 123.285 120.570 -0.138 0.000 2.433 235 I HA 0.387 4.557 4.170 -0.000 0.000 0.292 235 I C 0.500 176.585 176.117 -0.054 0.000 1.001 235 I CA -0.410 60.907 61.300 0.028 0.000 1.119 235 I CB 2.128 40.244 38.000 0.194 0.000 1.289 235 I HN 0.470 nan 8.210 nan 0.000 0.438 236 S N 4.898 120.639 115.700 0.068 0.000 2.549 236 S HA 0.002 4.472 4.470 -0.000 0.000 0.286 236 S C 1.217 175.811 174.600 -0.011 0.000 1.314 236 S CA -0.293 57.932 58.200 0.041 0.000 1.062 236 S CB 0.914 64.209 63.200 0.159 0.000 0.865 236 S HN 0.674 nan 8.310 nan 0.000 0.498 237 K N 2.848 123.133 120.400 -0.192 0.000 2.013 237 K HA -0.289 4.031 4.320 -0.000 0.000 0.225 237 K C 1.154 177.810 176.600 0.093 0.000 1.056 237 K CA 2.301 58.433 56.287 -0.258 0.000 0.971 237 K CB -0.263 32.066 32.500 -0.286 0.000 0.731 237 K HN 0.636 nan 8.250 nan 0.000 0.450 238 D N 0.083 120.525 120.400 0.069 0.000 2.103 238 D HA -0.172 4.468 4.640 -0.000 0.000 0.190 238 D C 2.118 178.495 176.300 0.128 0.000 0.997 238 D CA 1.737 55.800 54.000 0.105 0.000 0.833 238 D CB -0.485 40.356 40.800 0.069 0.000 0.961 238 D HN 0.124 nan 8.370 nan 0.000 0.447 239 V N 1.814 121.798 119.914 0.116 0.000 2.236 239 V HA -0.322 3.798 4.120 -0.000 0.000 0.255 239 V C 2.562 178.746 176.094 0.150 0.000 1.068 239 V CA 2.111 64.485 62.300 0.123 0.000 1.044 239 V CB -0.561 31.340 31.823 0.130 0.000 0.653 239 V HN 0.287 nan 8.190 nan 0.000 0.448 240 M N -1.269 118.458 119.600 0.212 0.000 2.358 240 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 240 M C 1.910 178.335 176.300 0.209 0.000 1.064 240 M CA 1.728 57.175 55.300 0.244 0.000 1.093 240 M CB -0.058 32.765 32.600 0.371 0.000 1.401 240 M HN 0.308 nan 8.290 nan 0.000 0.440 241 L N 0.368 121.721 121.223 0.217 0.000 2.179 241 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 241 L C 2.054 178.994 176.870 0.116 0.000 1.096 241 L CA 1.429 56.374 54.840 0.176 0.000 0.779 241 L CB -0.745 41.427 42.059 0.188 0.000 0.922 241 L HN 0.410 nan 8.230 nan 0.000 0.443 242 N N -0.712 118.049 118.700 0.102 0.000 2.290 242 N HA -0.110 4.630 4.740 -0.000 0.000 0.179 242 N C 1.777 177.321 175.510 0.056 0.000 1.016 242 N CA 1.033 54.122 53.050 0.065 0.000 0.871 242 N CB -0.092 38.429 38.487 0.057 0.000 0.987 242 N HN 0.249 nan 8.380 nan 0.000 0.431 243 L N -0.092 121.178 121.223 0.079 0.000 2.201 243 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 243 L C 1.696 178.606 176.870 0.067 0.000 1.105 243 L CA 0.693 55.588 54.840 0.091 0.000 0.775 243 L CB -0.118 41.980 42.059 0.065 0.000 0.913 243 L HN 0.285 nan 8.230 nan 0.000 0.440 244 L N -0.907 120.345 121.223 0.048 0.000 2.408 244 L HA -0.003 4.337 4.340 -0.000 0.000 0.215 244 L C 2.471 179.367 176.870 0.043 0.000 1.081 244 L CA 0.405 55.266 54.840 0.034 0.000 0.840 244 L CB -0.078 42.019 42.059 0.062 0.000 1.002 244 L HN 0.271 nan 8.230 nan 0.000 0.468 245 R N -1.889 118.636 120.500 0.043 0.000 2.307 245 R HA 0.184 4.524 4.340 -0.000 0.000 0.200 245 R C 0.506 176.808 176.300 0.002 0.000 0.893 245 R CA 0.097 56.214 56.100 0.029 0.000 1.042 245 R CB 0.177 30.502 30.300 0.042 0.000 1.059 245 R HN 0.140 nan 8.270 nan 0.000 0.530 246 D N 0.936 121.329 120.400 -0.012 0.000 2.949 246 D HA 0.105 4.745 4.640 -0.000 0.000 0.247 246 D C 1.270 177.491 176.300 -0.131 0.000 1.552 246 D CA -0.058 53.910 54.000 -0.053 0.000 1.231 246 D CB 0.056 40.832 40.800 -0.040 0.000 0.990 246 D HN -0.147 nan 8.370 nan 0.000 0.270 247 K N 0.357 120.654 120.400 -0.171 0.000 2.127 247 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 247 K C 0.304 176.413 176.600 -0.818 0.000 1.047 247 K CA 1.031 57.059 56.287 -0.432 0.000 0.927 247 K CB -0.268 32.069 32.500 -0.272 0.000 0.716 247 K HN 0.219 nan 8.250 nan 0.000 0.450 248 F N -0.103 119.811 119.950 -0.061 0.000 2.872 248 F HA 0.187 4.714 4.527 -0.000 0.000 0.363 248 F C -2.076 173.678 175.800 -0.078 0.000 1.357 248 F CA -1.767 56.185 58.000 -0.080 0.000 1.174 248 F CB 1.766 40.693 39.000 -0.122 0.000 1.860 248 F HN -0.127 nan 8.300 nan 0.000 0.615 249 P HA 0.199 nan 4.420 nan 0.000 0.261 249 P C 0.939 178.260 177.300 0.035 0.000 1.352 249 P CA 0.523 63.643 63.100 0.033 0.000 0.891 249 P CB 0.692 32.395 31.700 0.005 0.000 1.383 250 G N -0.883 107.953 108.800 0.060 0.000 3.829 250 G HA2 0.449 4.409 3.960 -0.000 0.000 0.279 250 G HA3 0.449 4.409 3.960 -0.000 0.000 0.279 250 G C 0.396 175.320 174.900 0.039 0.000 1.008 250 G CA 0.116 45.242 45.100 0.043 0.000 0.840 250 G HN 0.387 nan 8.290 nan 0.000 0.474 251 A N 0.072 122.911 122.820 0.033 0.000 2.287 251 A HA 0.621 4.941 4.320 -0.000 0.000 0.273 251 A C 0.737 178.301 177.584 -0.034 0.000 1.091 251 A CA -0.246 51.772 52.037 -0.033 0.000 0.817 251 A CB 0.605 19.528 19.000 -0.129 0.000 1.069 251 A HN 0.287 nan 8.150 nan 0.000 0.492 252 N N -1.334 117.341 118.700 -0.042 0.000 2.419 252 N HA 0.085 4.825 4.740 -0.000 0.000 0.216 252 N C -0.931 174.589 175.510 0.017 0.000 1.118 252 N CA 0.048 53.097 53.050 -0.003 0.000 0.850 252 N CB 0.498 38.989 38.487 0.006 0.000 1.292 252 N HN 0.764 nan 8.380 nan 0.000 0.467 253 D N -0.967 119.419 120.400 -0.023 0.000 2.350 253 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 253 D C -0.094 176.180 176.300 -0.043 0.000 1.036 253 D CA -0.609 53.404 54.000 0.022 0.000 0.848 253 D CB 1.417 42.225 40.800 0.013 0.000 1.307 253 D HN -0.185 nan 8.370 nan 0.000 0.469 254 F N 1.698 121.578 119.950 -0.117 0.000 2.149 254 F HA 0.162 4.689 4.527 0.000 0.000 0.294 254 F C 2.268 177.899 175.800 -0.282 0.000 1.095 254 F CA 1.397 59.259 58.000 -0.228 0.000 1.276 254 F CB -0.415 38.421 39.000 -0.274 0.000 1.023 254 F HN 0.578 nan 8.300 nan 0.000 0.480 255 G N -0.123 108.715 108.800 0.063 0.000 2.739 255 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.216 255 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.216 255 G C 1.762 176.573 174.900 -0.148 0.000 1.298 255 G CA 1.659 46.779 45.100 0.034 0.000 0.804 255 G HN 0.416 nan 8.290 nan 0.000 0.623 256 S N -0.047 115.586 115.700 -0.113 0.000 2.461 256 S HA 0.113 4.583 4.470 -0.000 0.000 0.228 256 S C 1.831 176.280 174.600 -0.252 0.000 1.005 256 S CA 1.480 59.580 58.200 -0.167 0.000 0.942 256 S CB 0.024 63.185 63.200 -0.064 0.000 0.776 256 S HN 0.658 nan 8.310 nan 0.000 0.514 257 E N 1.006 121.041 120.200 -0.275 0.000 2.110 257 E HA 0.108 4.458 4.350 -0.000 0.000 0.194 257 E C 2.139 178.396 176.600 -0.571 0.000 0.944 257 E CA 0.645 56.824 56.400 -0.369 0.000 0.899 257 E CB -0.354 29.170 29.700 -0.294 0.000 0.907 257 E HN 0.273 nan 8.360 nan 0.000 0.473 258 V N 2.525 122.095 119.914 -0.573 0.000 2.287 258 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 258 V C 2.388 178.163 176.094 -0.531 0.000 1.053 258 V CA 1.397 63.294 62.300 -0.671 0.000 1.027 258 V CB -0.471 30.837 31.823 -0.859 0.000 0.646 258 V HN 0.261 nan 8.190 nan 0.000 0.447 259 I N -0.068 120.224 120.570 -0.463 0.000 2.193 259 I HA -0.064 4.106 4.170 -0.000 0.000 0.240 259 I C 0.197 176.041 176.117 -0.455 0.000 1.084 259 I CA 1.518 62.593 61.300 -0.376 0.000 1.365 259 I CB -2.734 35.057 38.000 -0.348 0.000 1.064 259 I HN 0.320 nan 8.210 nan 0.000 0.410 260 P HA -0.134 nan 4.420 nan 0.000 0.214 260 P C 1.774 178.931 177.300 -0.239 0.000 1.163 260 P CA 1.979 64.696 63.100 -0.638 0.000 0.889 260 P CB -0.270 31.080 31.700 -0.582 0.000 0.790 261 G N 0.065 108.656 108.800 -0.349 0.000 2.446 261 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 261 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 261 G C 1.702 176.568 174.900 -0.057 0.000 1.168 261 G CA 1.194 46.127 45.100 -0.277 0.000 0.771 261 G HN 0.342 nan 8.290 nan 0.000 0.551 262 A N 0.077 122.823 122.820 -0.123 0.000 1.986 262 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 262 A C 2.515 180.147 177.584 0.081 0.000 1.171 262 A CA 2.630 54.687 52.037 0.035 0.000 0.640 262 A CB -0.823 18.164 19.000 -0.022 0.000 0.811 262 A HN 0.360 nan 8.150 nan 0.000 0.451 263 T N -0.541 114.062 114.554 0.082 0.000 2.770 263 T HA -0.063 4.287 4.350 -0.000 0.000 0.258 263 T C 2.258 177.029 174.700 0.119 0.000 1.039 263 T CA 1.394 63.580 62.100 0.143 0.000 1.143 263 T CB -0.388 68.643 68.868 0.272 0.000 0.866 263 T HN 0.481 nan 8.240 nan 0.000 0.428 264 S N 1.833 117.600 115.700 0.112 0.000 2.374 264 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 264 S C 1.864 176.521 174.600 0.097 0.000 1.037 264 S CA 0.792 59.052 58.200 0.100 0.000 1.024 264 S CB -0.594 62.663 63.200 0.095 0.000 0.861 264 S HN 0.261 nan 8.310 nan 0.000 0.456 265 L N 1.691 122.986 121.223 0.119 0.000 2.549 265 L HA 0.117 4.457 4.340 -0.000 0.000 0.230 265 L C 1.121 178.035 176.870 0.074 0.000 1.162 265 L CA 1.243 56.145 54.840 0.104 0.000 0.834 265 L CB -1.239 40.903 42.059 0.138 0.000 0.947 265 L HN 0.437 nan 8.230 nan 0.000 0.452 266 G N -0.081 108.764 108.800 0.076 0.000 2.414 266 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.256 266 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.256 266 G C -0.050 174.885 174.900 0.058 0.000 1.128 266 G CA 0.300 45.437 45.100 0.060 0.000 0.944 266 G HN 0.320 nan 8.290 nan 0.000 0.500 267 M N -0.241 119.402 119.600 0.071 0.000 2.456 267 M HA 0.440 4.920 4.480 -0.000 0.000 0.324 267 M C 0.864 177.204 176.300 0.066 0.000 1.124 267 M CA -0.889 54.451 55.300 0.066 0.000 0.959 267 M CB 1.773 34.420 32.600 0.079 0.000 1.692 267 M HN 0.188 nan 8.290 nan 0.000 0.444 268 R N 1.616 122.144 120.500 0.046 0.000 2.630 268 R HA 0.165 4.505 4.340 -0.000 0.000 0.286 268 R C -1.011 175.321 176.300 0.052 0.000 1.391 268 R CA -0.068 56.052 56.100 0.033 0.000 1.027 268 R CB -0.857 29.443 30.300 -0.000 0.000 1.099 268 R HN 0.345 nan 8.270 nan 0.000 0.525 269 V N 4.407 124.373 119.914 0.087 0.000 2.294 269 V HA 0.088 4.208 4.120 -0.000 0.000 0.272 269 V C 0.347 176.520 176.094 0.132 0.000 1.027 269 V CA -0.577 61.805 62.300 0.137 0.000 0.823 269 V CB 1.021 32.958 31.823 0.190 0.000 1.030 269 V HN 0.561 nan 8.190 nan 0.000 0.457 270 Q N 2.535 122.417 119.800 0.137 0.000 2.222 270 Q HA 0.785 5.125 4.340 -0.000 0.000 0.211 270 Q C 0.031 176.149 176.000 0.196 0.000 1.013 270 Q CA -0.280 55.607 55.803 0.139 0.000 0.993 270 Q CB 2.076 30.890 28.738 0.128 0.000 1.151 270 Q HN 0.796 nan 8.270 nan 0.000 0.544 271 A N 0.457 123.386 122.820 0.181 0.000 2.413 271 A HA 0.605 4.925 4.320 -0.000 0.000 0.307 271 A C -1.923 175.821 177.584 0.268 0.000 1.087 271 A CA -0.466 51.684 52.037 0.188 0.000 0.750 271 A CB 1.331 20.376 19.000 0.076 0.000 1.296 271 A HN 0.596 nan 8.150 nan 0.000 0.423 272 Y N 2.646 123.007 120.300 0.101 0.000 2.329 272 Y HA 0.452 5.002 4.550 0.000 0.000 0.328 272 Y C -0.655 175.241 175.900 -0.006 0.000 0.992 272 Y CA -1.170 56.983 58.100 0.088 0.000 1.151 272 Y CB 1.236 39.799 38.460 0.172 0.000 1.150 272 Y HN 0.652 nan 8.280 nan 0.000 0.450 273 L N 7.325 128.252 121.223 -0.493 0.000 2.453 273 L HA 0.145 4.485 4.340 -0.000 0.000 0.272 273 L C -1.474 175.095 176.870 -0.501 0.000 1.182 273 L CA 0.319 54.914 54.840 -0.407 0.000 0.858 273 L CB 0.240 42.115 42.059 -0.307 0.000 1.120 273 L HN 0.881 nan 8.230 nan 0.000 0.474 274 Y N 4.679 124.746 120.300 -0.388 0.000 2.307 274 Y HA 0.313 4.863 4.550 -0.000 0.000 0.323 274 Y C -1.220 174.556 175.900 -0.207 0.000 1.100 274 Y CA -1.245 56.678 58.100 -0.295 0.000 1.140 274 Y CB 0.978 39.282 38.460 -0.260 0.000 1.159 274 Y HN 0.675 nan 8.280 nan 0.000 0.436 275 D N 4.020 123.973 120.400 -0.744 0.000 2.454 275 D HA 0.662 5.302 4.640 -0.000 0.000 0.247 275 D C -0.306 175.596 176.300 -0.663 0.000 1.129 275 D CA -0.420 53.245 54.000 -0.559 0.000 0.877 275 D CB 1.337 41.962 40.800 -0.292 0.000 1.082 275 D HN 0.863 nan 8.370 nan 0.000 0.537 276 G N 0.721 109.128 108.800 -0.655 0.000 2.702 276 G HA2 0.327 4.287 3.960 -0.000 0.000 0.296 276 G HA3 0.327 4.287 3.960 -0.000 0.000 0.296 276 G C -1.464 173.495 174.900 0.099 0.000 1.463 276 G CA -1.200 43.733 45.100 -0.278 0.000 0.890 276 G HN 0.286 nan 8.290 nan 0.000 0.534 277 Y N 1.952 122.310 120.300 0.097 0.000 2.771 277 Y HA 0.101 4.651 4.550 -0.000 0.000 0.393 277 Y C -0.098 175.937 175.900 0.226 0.000 1.281 277 Y CA 0.159 58.349 58.100 0.151 0.000 1.664 277 Y CB 0.190 38.742 38.460 0.154 0.000 1.142 277 Y HN 0.520 nan 8.280 nan 0.000 0.510 278 W N 9.318 130.295 121.300 -0.538 0.000 2.499 278 W HA 0.441 5.101 4.660 0.000 0.000 0.320 278 W C -1.588 174.555 176.519 -0.628 0.000 1.010 278 W CA -0.806 56.239 57.345 -0.500 0.000 1.267 278 W CB 1.335 30.626 29.460 -0.281 0.000 1.316 278 W HN 0.501 nan 8.180 nan 0.000 0.431 279 E N 4.329 124.002 120.200 -0.878 0.000 2.316 279 E HA 0.123 4.473 4.350 -0.000 0.000 0.254 279 E C -0.378 175.977 176.600 -0.410 0.000 0.902 279 E CA -0.426 55.675 56.400 -0.498 0.000 0.801 279 E CB 1.787 31.241 29.700 -0.409 0.000 1.270 279 E HN 0.401 nan 8.360 nan 0.000 0.414 280 D N 2.125 122.389 120.400 -0.226 0.000 2.362 280 D HA 0.179 4.819 4.640 -0.000 0.000 0.238 280 D C 1.101 177.397 176.300 -0.006 0.000 1.212 280 D CA 0.227 54.194 54.000 -0.055 0.000 0.902 280 D CB 0.961 41.838 40.800 0.128 0.000 1.180 280 D HN 0.451 nan 8.370 nan 0.000 0.445 281 I N -2.995 117.586 120.570 0.018 0.000 2.761 281 I HA 0.305 4.475 4.170 -0.000 0.000 0.321 281 I C 0.772 176.941 176.117 0.086 0.000 1.493 281 I CA -0.578 60.779 61.300 0.096 0.000 0.792 281 I CB 0.569 38.653 38.000 0.140 0.000 2.059 281 I HN 0.317 nan 8.210 nan 0.000 0.582 282 G N 1.631 110.461 108.800 0.050 0.000 2.880 282 G HA2 0.175 4.135 3.960 -0.000 0.000 0.209 282 G HA3 0.175 4.135 3.960 -0.000 0.000 0.209 282 G C 0.548 175.464 174.900 0.026 0.000 1.157 282 G CA 0.970 46.079 45.100 0.015 0.000 0.779 282 G HN 0.538 nan 8.290 nan 0.000 0.539 283 T N -1.970 112.627 114.554 0.072 0.000 2.876 283 T HA 0.475 4.825 4.350 -0.000 0.000 0.289 283 T C 1.279 176.055 174.700 0.127 0.000 1.014 283 T CA -0.816 61.327 62.100 0.070 0.000 0.986 283 T CB 2.016 70.931 68.868 0.079 0.000 1.021 283 T HN -0.193 nan 8.240 nan 0.000 0.458 284 I N 0.922 121.544 120.570 0.086 0.000 2.147 284 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 284 I C 2.405 178.682 176.117 0.267 0.000 1.059 284 I CA 2.136 63.532 61.300 0.159 0.000 1.320 284 I CB -0.913 37.138 38.000 0.085 0.000 1.021 284 I HN 0.933 nan 8.210 nan 0.000 0.415 285 E N 0.425 120.729 120.200 0.174 0.000 2.072 285 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 285 E C 2.296 179.034 176.600 0.229 0.000 0.985 285 E CA 1.310 57.810 56.400 0.167 0.000 0.801 285 E CB 0.004 29.762 29.700 0.098 0.000 0.750 285 E HN 0.473 nan 8.360 nan 0.000 0.452 286 A N 0.476 123.418 122.820 0.203 0.000 1.873 286 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 286 A C 2.003 179.716 177.584 0.215 0.000 1.186 286 A CA 1.255 53.401 52.037 0.182 0.000 0.616 286 A CB -0.919 18.169 19.000 0.147 0.000 0.823 286 A HN 0.478 nan 8.150 nan 0.000 0.442 287 F N -0.542 119.467 119.950 0.098 0.000 2.011 287 F HA -0.277 4.250 4.527 -0.000 0.000 0.296 287 F C 2.186 178.068 175.800 0.136 0.000 1.144 287 F CA 2.260 60.313 58.000 0.089 0.000 1.185 287 F CB -1.075 37.970 39.000 0.075 0.000 0.961 287 F HN 0.387 nan 8.300 nan 0.000 0.485 288 Y N 1.694 122.087 120.300 0.156 0.000 2.029 288 Y HA -0.425 4.125 4.550 0.000 0.000 0.269 288 Y C 2.455 178.331 175.900 -0.039 0.000 1.201 288 Y CA 2.479 60.596 58.100 0.027 0.000 1.115 288 Y CB -0.941 37.606 38.460 0.145 0.000 0.945 288 Y HN 0.200 nan 8.280 nan 0.000 0.497 289 N N 0.368 119.233 118.700 0.276 0.000 2.166 289 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 289 N C 1.952 177.471 175.510 0.014 0.000 1.019 289 N CA 1.403 54.547 53.050 0.156 0.000 0.856 289 N CB -0.715 37.908 38.487 0.226 0.000 0.993 289 N HN 0.588 nan 8.380 nan 0.000 0.426 290 A N 1.588 124.403 122.820 -0.010 0.000 1.902 290 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 290 A C 2.113 179.645 177.584 -0.087 0.000 1.181 290 A CA 1.086 53.115 52.037 -0.013 0.000 0.623 290 A CB -0.433 18.551 19.000 -0.026 0.000 0.818 290 A HN 0.283 nan 8.150 nan 0.000 0.443 291 N N 0.213 118.766 118.700 -0.246 0.000 2.006 291 N HA -0.132 4.608 4.740 -0.000 0.000 0.196 291 N C 1.522 176.891 175.510 -0.236 0.000 1.057 291 N CA 1.619 54.502 53.050 -0.279 0.000 0.853 291 N CB -0.409 37.794 38.487 -0.473 0.000 1.051 291 N HN 0.255 nan 8.380 nan 0.000 0.423 292 L N 1.208 122.224 121.223 -0.345 0.000 2.349 292 L HA -0.084 4.256 4.340 -0.000 0.000 0.220 292 L C 2.424 179.167 176.870 -0.211 0.000 1.130 292 L CA 1.110 55.732 54.840 -0.364 0.000 0.791 292 L CB -2.093 39.707 42.059 -0.431 0.000 0.918 292 L HN 0.227 nan 8.230 nan 0.000 0.444 293 G N 0.936 109.679 108.800 -0.095 0.000 2.432 293 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 293 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 293 G C 1.532 176.421 174.900 -0.019 0.000 1.135 293 G CA 0.744 45.839 45.100 -0.008 0.000 0.767 293 G HN 0.595 nan 8.290 nan 0.000 0.550 294 I N -0.012 120.547 120.570 -0.019 0.000 3.083 294 I HA 0.034 4.204 4.170 -0.000 0.000 0.273 294 I C 2.093 178.192 176.117 -0.030 0.000 1.297 294 I CA 1.677 62.984 61.300 0.012 0.000 1.452 294 I CB -0.387 37.683 38.000 0.116 0.000 1.078 294 I HN 0.153 nan 8.210 nan 0.000 0.484 295 T N -0.846 113.663 114.554 -0.076 0.000 3.069 295 T HA 0.180 4.530 4.350 -0.000 0.000 0.252 295 T C 0.750 175.444 174.700 -0.009 0.000 1.053 295 T CA -0.544 61.508 62.100 -0.080 0.000 0.964 295 T CB -0.261 68.491 68.868 -0.194 0.000 1.005 295 T HN 0.580 nan 8.240 nan 0.000 0.532 296 K N 1.949 122.362 120.400 0.022 0.000 2.436 296 K HA 0.242 4.562 4.320 -0.000 0.000 0.275 296 K C 0.066 176.689 176.600 0.038 0.000 0.999 296 K CA -0.585 55.745 56.287 0.071 0.000 0.980 296 K CB 0.696 33.235 32.500 0.065 0.000 0.919 296 K HN 0.070 nan 8.250 nan 0.000 0.484 297 K N 2.660 123.088 120.400 0.047 0.000 2.186 297 K HA -0.102 4.218 4.320 -0.000 0.000 0.250 297 K C -1.816 174.790 176.600 0.011 0.000 1.044 297 K CA -0.197 56.106 56.287 0.027 0.000 0.795 297 K CB -0.493 32.024 32.500 0.028 0.000 1.052 297 K HN 0.633 nan 8.250 nan 0.000 0.535 298 P HA -0.314 nan 4.420 nan 0.000 0.286 298 P C -0.855 176.436 177.300 -0.014 0.000 1.450 298 P CA 0.865 63.963 63.100 -0.004 0.000 1.394 298 P CB -0.247 31.453 31.700 0.000 0.000 0.688 299 V N 0.941 120.843 119.914 -0.021 0.000 2.368 299 V HA 0.127 4.247 4.120 -0.000 0.000 0.266 299 V C -1.362 174.700 176.094 -0.054 0.000 1.045 299 V CA -0.521 61.754 62.300 -0.042 0.000 0.899 299 V CB 0.814 32.609 31.823 -0.046 0.000 1.006 299 V HN 0.420 nan 8.190 nan 0.000 0.470 300 P HA -0.028 nan 4.420 nan 0.000 0.234 300 P C 0.476 177.669 177.300 -0.178 0.000 1.162 300 P CA 0.839 63.888 63.100 -0.085 0.000 0.759 300 P CB 0.085 31.742 31.700 -0.072 0.000 0.813 301 D N -5.159 115.121 120.400 -0.201 0.000 2.466 301 D HA -0.221 4.419 4.640 -0.000 0.000 0.184 301 D C -0.154 175.815 176.300 -0.552 0.000 1.519 301 D CA 1.564 55.366 54.000 -0.330 0.000 1.769 301 D CB -1.392 39.183 40.800 -0.374 0.000 1.391 301 D HN 0.275 nan 8.370 nan 0.000 0.515 302 F N 0.608 120.107 119.950 -0.751 0.000 2.607 302 F HA 0.499 5.026 4.527 -0.000 0.000 0.322 302 F C -0.972 174.602 175.800 -0.376 0.000 1.176 302 F CA -0.438 57.184 58.000 -0.631 0.000 0.977 302 F CB 1.396 39.887 39.000 -0.848 0.000 1.242 302 F HN -0.074 nan 8.300 nan 0.000 0.465 303 S N 4.512 119.617 115.700 -0.991 0.000 2.472 303 S HA 0.476 4.946 4.470 -0.000 0.000 0.303 303 S C 0.421 174.446 174.600 -0.958 0.000 1.099 303 S CA -0.580 57.251 58.200 -0.615 0.000 1.077 303 S CB 1.140 64.161 63.200 -0.299 0.000 1.031 303 S HN 0.528 nan 8.310 nan 0.000 0.487 304 F N 0.690 120.327 119.950 -0.522 0.000 2.163 304 F HA 0.122 4.649 4.527 -0.000 0.000 0.297 304 F C 1.253 176.906 175.800 -0.245 0.000 1.094 304 F CA 0.540 58.289 58.000 -0.417 0.000 1.290 304 F CB -0.455 38.279 39.000 -0.444 0.000 1.017 304 F HN 0.712 nan 8.300 nan 0.000 0.483 305 Y N 1.118 121.401 120.300 -0.028 0.000 2.299 305 Y HA 0.345 4.895 4.550 -0.000 0.000 0.335 305 Y C -0.478 175.328 175.900 -0.156 0.000 1.287 305 Y CA -0.823 57.245 58.100 -0.054 0.000 1.424 305 Y CB 0.572 39.023 38.460 -0.015 0.000 1.326 305 Y HN 0.075 nan 8.280 nan 0.000 0.567 306 D N 1.969 121.641 120.400 -1.213 0.000 2.746 306 D HA 0.157 4.797 4.640 -0.000 0.000 0.211 306 D C 0.150 175.891 176.300 -0.931 0.000 1.242 306 D CA -0.557 52.946 54.000 -0.829 0.000 0.790 306 D CB 0.924 41.437 40.800 -0.478 0.000 1.744 306 D HN 0.590 nan 8.370 nan 0.000 0.520 307 R N 1.579 121.746 120.500 -0.555 0.000 2.117 307 R HA -0.130 4.210 4.340 -0.000 0.000 0.243 307 R C 0.856 177.022 176.300 -0.223 0.000 1.143 307 R CA 2.240 58.166 56.100 -0.291 0.000 0.968 307 R CB 0.080 30.314 30.300 -0.109 0.000 0.863 307 R HN 0.427 nan 8.270 nan 0.000 0.444 308 S N -0.513 115.058 115.700 -0.216 0.000 2.338 308 S HA 0.201 4.671 4.470 -0.000 0.000 0.197 308 S C 0.348 174.855 174.600 -0.156 0.000 0.990 308 S CA 0.410 58.526 58.200 -0.141 0.000 0.920 308 S CB 0.349 63.486 63.200 -0.104 0.000 0.903 308 S HN 0.404 nan 8.310 nan 0.000 0.542 309 A N 3.804 126.510 122.820 -0.189 0.000 2.540 309 A HA 0.590 4.910 4.320 -0.000 0.000 0.340 309 A C -2.639 174.757 177.584 -0.313 0.000 1.424 309 A CA -1.642 50.275 52.037 -0.200 0.000 0.940 309 A CB 0.230 19.144 19.000 -0.143 0.000 1.149 309 A HN 0.259 nan 8.150 nan 0.000 0.505 310 P HA 0.380 nan 4.420 nan 0.000 0.280 310 P C -0.564 176.446 177.300 -0.483 0.000 1.272 310 P CA -0.482 62.363 63.100 -0.426 0.000 0.819 310 P CB 1.231 32.713 31.700 -0.364 0.000 1.122 311 I N 1.828 122.286 120.570 -0.187 0.000 2.301 311 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 311 I C 0.733 176.950 176.117 0.167 0.000 1.046 311 I CA -0.702 60.597 61.300 -0.001 0.000 1.282 311 I CB -1.131 36.976 38.000 0.178 0.000 1.409 311 I HN 0.344 nan 8.210 nan 0.000 0.484 312 Y N 4.565 125.060 120.300 0.324 0.000 2.296 312 Y HA 0.393 4.943 4.550 0.000 0.000 0.343 312 Y C 1.232 177.282 175.900 0.250 0.000 1.292 312 Y CA 0.256 58.510 58.100 0.256 0.000 1.490 312 Y CB 0.841 39.461 38.460 0.267 0.000 1.359 312 Y HN 0.572 nan 8.280 nan 0.000 0.599 313 T N -0.235 114.427 114.554 0.180 0.000 2.733 313 T HA 0.094 4.444 4.350 -0.000 0.000 0.312 313 T C -1.686 172.864 174.700 -0.249 0.000 1.590 313 T CA -0.937 61.151 62.100 -0.021 0.000 1.005 313 T CB 1.340 70.110 68.868 -0.163 0.000 1.528 313 T HN 0.663 nan 8.240 nan 0.000 0.496 314 Q N 2.504 122.098 119.800 -0.343 0.000 2.311 314 Q HA 0.304 4.644 4.340 -0.000 0.000 0.272 314 Q C -2.120 173.719 176.000 -0.269 0.000 1.012 314 Q CA -1.413 54.176 55.803 -0.357 0.000 0.891 314 Q CB 0.746 29.291 28.738 -0.321 0.000 1.201 314 Q HN 0.344 nan 8.270 nan 0.000 0.391 315 P HA 0.140 nan 4.420 nan 0.000 0.282 315 P C -1.064 175.953 177.300 -0.472 0.000 1.274 315 P CA -0.125 62.707 63.100 -0.447 0.000 0.770 315 P CB 0.938 32.319 31.700 -0.532 0.000 0.867 316 R N 1.858 122.128 120.500 -0.383 0.000 2.365 316 R HA 0.203 4.543 4.340 -0.000 0.000 0.223 316 R C 0.074 176.366 176.300 -0.013 0.000 0.899 316 R CA -0.232 55.778 56.100 -0.150 0.000 1.059 316 R CB -0.657 29.612 30.300 -0.052 0.000 1.086 316 R HN 0.382 nan 8.270 nan 0.000 0.522 317 Y N 0.047 120.341 120.300 -0.009 0.000 3.721 317 Y HA -0.276 4.274 4.550 0.000 0.000 0.218 317 Y C -0.250 175.660 175.900 0.017 0.000 1.188 317 Y CA -0.282 57.817 58.100 -0.002 0.000 1.607 317 Y CB -2.160 36.299 38.460 -0.002 0.000 1.496 317 Y HN 0.077 nan 8.280 nan 0.000 0.626 318 L N 2.856 124.137 121.223 0.097 0.000 2.461 318 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 318 L C -0.989 175.930 176.870 0.082 0.000 1.197 318 L CA -1.727 53.181 54.840 0.114 0.000 0.836 318 L CB 0.238 42.350 42.059 0.089 0.000 1.105 318 L HN -0.014 nan 8.230 nan 0.000 0.477 319 P HA 0.265 nan 4.420 nan 0.000 0.274 319 P C -2.623 174.691 177.300 0.024 0.000 1.260 319 P CA -1.148 61.971 63.100 0.031 0.000 0.793 319 P CB -0.242 31.455 31.700 -0.006 0.000 1.048 320 P HA 0.125 nan 4.420 nan 0.000 0.275 320 P C -0.263 177.039 177.300 0.003 0.000 1.270 320 P CA 0.024 63.123 63.100 -0.002 0.000 0.791 320 P CB 0.169 31.863 31.700 -0.009 0.000 1.089 321 S N 0.156 115.855 115.700 -0.003 0.000 2.457 321 S HA 0.251 4.721 4.470 -0.000 0.000 0.289 321 S C -0.164 174.433 174.600 -0.005 0.000 1.163 321 S CA -0.647 57.554 58.200 0.002 0.000 1.078 321 S CB 0.161 63.357 63.200 -0.005 0.000 0.987 321 S HN 0.197 nan 8.310 nan 0.000 0.482 322 K N 2.733 123.132 120.400 -0.002 0.000 2.144 322 K HA 0.520 4.840 4.320 -0.000 0.000 0.270 322 K C -0.580 176.014 176.600 -0.009 0.000 1.005 322 K CA -0.119 56.163 56.287 -0.009 0.000 0.932 322 K CB 0.769 33.262 32.500 -0.012 0.000 1.021 322 K HN 0.503 nan 8.250 nan 0.000 0.462 323 M N 3.666 123.258 119.600 -0.013 0.000 2.164 323 M HA 0.075 4.555 4.480 -0.000 0.000 0.260 323 M C 0.038 176.328 176.300 -0.015 0.000 0.974 323 M CA -0.396 54.895 55.300 -0.016 0.000 1.020 323 M CB 1.766 34.354 32.600 -0.019 0.000 1.903 323 M HN 0.533 nan 8.290 nan 0.000 0.469 324 L N 2.694 123.908 121.223 -0.015 0.000 2.005 324 L HA 0.107 4.447 4.340 -0.000 0.000 0.207 324 L C 0.468 177.330 176.870 -0.014 0.000 1.072 324 L CA 2.454 57.286 54.840 -0.013 0.000 0.744 324 L CB 0.164 42.216 42.059 -0.012 0.000 0.895 324 L HN 0.847 nan 8.230 nan 0.000 0.433 325 D N -0.534 119.855 120.400 -0.017 0.000 3.250 325 D HA 0.392 5.032 4.640 -0.000 0.000 0.252 325 D C -0.947 175.339 176.300 -0.024 0.000 1.342 325 D CA 0.302 54.291 54.000 -0.017 0.000 0.807 325 D CB 0.231 41.023 40.800 -0.014 0.000 1.449 325 D HN 0.416 nan 8.370 nan 0.000 0.610 326 A N 1.307 124.110 122.820 -0.028 0.000 2.312 326 A HA 0.634 4.954 4.320 -0.000 0.000 0.326 326 A C -0.512 177.051 177.584 -0.035 0.000 1.172 326 A CA -0.627 51.387 52.037 -0.040 0.000 0.821 326 A CB 0.956 19.930 19.000 -0.044 0.000 1.166 326 A HN 0.356 nan 8.150 nan 0.000 0.493 327 D N 2.033 122.405 120.400 -0.046 0.000 2.462 327 D HA 0.435 5.075 4.640 -0.000 0.000 0.245 327 D C -0.931 175.336 176.300 -0.054 0.000 1.122 327 D CA 0.097 54.081 54.000 -0.027 0.000 0.864 327 D CB 1.795 42.592 40.800 -0.006 0.000 1.098 327 D HN 0.198 nan 8.370 nan 0.000 0.541 328 V N 1.737 121.632 119.914 -0.031 0.000 2.581 328 V HA 0.638 4.758 4.120 -0.000 0.000 0.303 328 V C 0.421 176.530 176.094 0.025 0.000 1.041 328 V CA -0.606 61.673 62.300 -0.035 0.000 0.907 328 V CB 1.947 33.748 31.823 -0.038 0.000 0.994 328 V HN 0.649 nan 8.190 nan 0.000 0.442 329 T N -0.732 113.864 114.554 0.070 0.000 2.952 329 T HA 0.423 4.773 4.350 -0.000 0.000 0.305 329 T C -0.230 174.537 174.700 0.112 0.000 1.064 329 T CA -0.509 61.660 62.100 0.115 0.000 1.008 329 T CB 1.556 70.539 68.868 0.192 0.000 1.078 329 T HN 0.779 nan 8.240 nan 0.000 0.459 330 D N 1.489 121.938 120.400 0.083 0.000 2.720 330 D HA -0.162 4.478 4.640 -0.000 0.000 0.229 330 D C -0.278 176.046 176.300 0.040 0.000 1.198 330 D CA 1.132 55.183 54.000 0.084 0.000 0.639 330 D CB -0.811 40.086 40.800 0.161 0.000 1.003 330 D HN 0.681 nan 8.370 nan 0.000 0.411 331 S N -1.367 114.332 115.700 -0.002 0.000 2.704 331 S HA 0.774 5.244 4.470 -0.000 0.000 0.296 331 S C -0.232 174.332 174.600 -0.059 0.000 1.138 331 S CA -0.491 57.678 58.200 -0.052 0.000 0.875 331 S CB 2.919 66.093 63.200 -0.043 0.000 1.151 331 S HN 0.362 nan 8.310 nan 0.000 0.500 332 V N -0.692 119.175 119.914 -0.078 0.000 2.623 332 V HA 0.621 4.741 4.120 -0.000 0.000 0.304 332 V C -1.102 174.949 176.094 -0.070 0.000 1.054 332 V CA -0.788 61.471 62.300 -0.070 0.000 0.882 332 V CB 1.183 32.960 31.823 -0.076 0.000 1.002 332 V HN 0.733 nan 8.190 nan 0.000 0.424 333 I N 4.758 125.292 120.570 -0.060 0.000 2.371 333 I HA 0.528 4.698 4.170 -0.000 0.000 0.290 333 I C 1.306 177.387 176.117 -0.061 0.000 1.028 333 I CA 0.690 61.956 61.300 -0.056 0.000 1.345 333 I CB 1.066 39.039 38.000 -0.046 0.000 1.407 333 I HN 0.951 nan 8.210 nan 0.000 0.501 334 G N 6.101 114.863 108.800 -0.064 0.000 2.489 334 G HA2 0.217 4.177 3.960 -0.000 0.000 0.271 334 G HA3 0.217 4.177 3.960 -0.000 0.000 0.271 334 G C -0.137 174.728 174.900 -0.060 0.000 1.427 334 G CA -0.462 44.595 45.100 -0.072 0.000 1.057 334 G HN 0.639 nan 8.290 nan 0.000 0.532 335 E N -0.741 119.419 120.200 -0.066 0.000 2.313 335 E HA 0.421 4.771 4.350 -0.000 0.000 0.272 335 E C 0.709 177.309 176.600 -0.000 0.000 1.038 335 E CA 0.274 56.648 56.400 -0.043 0.000 0.863 335 E CB 1.040 30.702 29.700 -0.064 0.000 1.060 335 E HN 0.844 nan 8.360 nan 0.000 0.402 336 G N 2.056 110.878 108.800 0.037 0.000 2.371 336 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.299 336 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.299 336 G C -0.059 174.929 174.900 0.146 0.000 1.014 336 G CA -0.128 45.043 45.100 0.119 0.000 1.097 336 G HN 0.476 nan 8.290 nan 0.000 0.512 337 C N -0.432 118.910 119.300 0.070 0.000 2.405 337 C HA 0.617 5.077 4.460 -0.000 0.000 0.365 337 C C 0.890 175.919 174.990 0.065 0.000 1.233 337 C CA -0.693 58.361 59.018 0.059 0.000 2.230 337 C CB 1.495 29.240 27.740 0.008 0.000 2.443 337 C HN 0.549 nan 8.230 nan 0.000 0.556 338 V N 4.514 124.474 119.914 0.076 0.000 2.266 338 V HA 0.343 4.463 4.120 -0.000 0.000 0.271 338 V C -0.146 175.962 176.094 0.024 0.000 1.032 338 V CA 0.059 62.391 62.300 0.052 0.000 0.806 338 V CB -0.107 31.764 31.823 0.079 0.000 1.052 338 V HN 0.697 nan 8.190 nan 0.000 0.449 339 I N 4.192 124.765 120.570 0.005 0.000 2.321 339 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 339 I C 0.387 176.497 176.117 -0.012 0.000 0.998 339 I CA -0.410 60.885 61.300 -0.009 0.000 1.227 339 I CB 1.625 39.613 38.000 -0.020 0.000 1.368 339 I HN 0.442 nan 8.210 nan 0.000 0.466 340 K N 4.171 124.563 120.400 -0.014 0.000 2.842 340 K HA 0.322 4.642 4.320 -0.000 0.000 0.310 340 K C 0.022 176.609 176.600 -0.021 0.000 0.992 340 K CA -0.640 55.639 56.287 -0.014 0.000 1.207 340 K CB 0.268 32.763 32.500 -0.010 0.000 1.478 340 K HN 0.381 nan 8.250 nan 0.000 0.601 341 N N 1.131 119.819 118.700 -0.019 0.000 2.434 341 N HA 0.066 4.806 4.740 -0.000 0.000 0.268 341 N C -0.428 175.062 175.510 -0.034 0.000 1.256 341 N CA 0.342 53.379 53.050 -0.023 0.000 0.914 341 N CB -0.416 38.060 38.487 -0.017 0.000 1.088 341 N HN 0.585 nan 8.380 nan 0.000 0.478 342 C N 0.397 119.670 119.300 -0.046 0.000 3.167 342 C HA 0.482 4.942 4.460 -0.000 0.000 0.348 342 C C -1.473 173.459 174.990 -0.096 0.000 1.394 342 C CA -1.246 57.731 59.018 -0.069 0.000 1.204 342 C CB 1.120 28.816 27.740 -0.072 0.000 1.467 342 C HN 0.582 nan 8.230 nan 0.000 0.446 343 K N 0.782 121.091 120.400 -0.151 0.000 2.371 343 K HA 0.830 5.150 4.320 -0.000 0.000 0.251 343 K C -1.359 175.009 176.600 -0.386 0.000 0.934 343 K CA -0.513 55.620 56.287 -0.258 0.000 0.798 343 K CB 1.867 34.223 32.500 -0.241 0.000 1.204 343 K HN 0.588 nan 8.250 nan 0.000 0.427 344 I N 3.167 123.455 120.570 -0.470 0.000 2.478 344 I HA 0.299 4.469 4.170 -0.000 0.000 0.287 344 I C -0.750 175.127 176.117 -0.400 0.000 1.042 344 I CA -0.643 60.443 61.300 -0.358 0.000 1.067 344 I CB 1.430 39.331 38.000 -0.166 0.000 1.233 344 I HN 0.570 nan 8.210 nan 0.000 0.431 345 H N 4.296 123.379 119.070 0.022 0.000 2.589 345 H HA 0.239 4.795 4.556 0.000 0.000 0.351 345 H C -0.127 175.270 175.328 0.115 0.000 1.074 345 H CA -0.771 55.313 56.048 0.060 0.000 1.203 345 H CB 1.300 31.100 29.762 0.063 0.000 1.558 345 H HN 0.670 nan 8.280 nan 0.000 0.522 346 H N 0.918 120.059 119.070 0.119 0.000 2.315 346 H HA -0.173 4.383 4.556 0.000 0.000 0.324 346 H C -0.866 174.474 175.328 0.020 0.000 0.996 346 H CA 0.893 56.973 56.048 0.054 0.000 1.090 346 H CB -0.864 28.934 29.762 0.061 0.000 1.580 346 H HN 0.490 nan 8.280 nan 0.000 0.374 347 S N -0.266 115.380 115.700 -0.091 0.000 2.704 347 S HA 0.741 5.211 4.470 -0.000 0.000 0.296 347 S C -0.547 173.961 174.600 -0.153 0.000 1.138 347 S CA -0.394 57.737 58.200 -0.115 0.000 0.875 347 S CB 2.681 65.854 63.200 -0.045 0.000 1.151 347 S HN 0.175 nan 8.310 nan 0.000 0.500 348 V N 2.167 121.996 119.914 -0.141 0.000 2.385 348 V HA 0.301 4.421 4.120 -0.000 0.000 0.277 348 V C -0.802 175.235 176.094 -0.096 0.000 1.012 348 V CA -0.637 61.583 62.300 -0.133 0.000 0.832 348 V CB 1.248 32.969 31.823 -0.169 0.000 1.028 348 V HN 0.682 nan 8.190 nan 0.000 0.436 349 V N 4.289 124.155 119.914 -0.080 0.000 2.427 349 V HA 0.489 4.609 4.120 -0.000 0.000 0.268 349 V C 1.290 177.344 176.094 -0.067 0.000 1.046 349 V CA 0.172 62.434 62.300 -0.064 0.000 0.970 349 V CB 0.898 32.686 31.823 -0.057 0.000 1.001 349 V HN 0.827 nan 8.190 nan 0.000 0.476 350 G N 4.462 113.224 108.800 -0.062 0.000 2.653 350 G HA2 0.447 4.407 3.960 -0.000 0.000 0.265 350 G HA3 0.447 4.407 3.960 -0.000 0.000 0.265 350 G C -0.150 174.705 174.900 -0.074 0.000 1.237 350 G CA -0.834 44.226 45.100 -0.066 0.000 0.946 350 G HN 0.805 nan 8.290 nan 0.000 0.522 351 L N -2.213 118.960 121.223 -0.085 0.000 2.485 351 L HA 0.464 4.804 4.340 -0.000 0.000 0.275 351 L C 1.155 177.942 176.870 -0.138 0.000 1.207 351 L CA -0.461 54.322 54.840 -0.095 0.000 0.855 351 L CB -0.446 41.555 42.059 -0.097 0.000 1.114 351 L HN 0.870 nan 8.230 nan 0.000 0.485 352 R N -0.249 120.168 120.500 -0.138 0.000 3.951 352 R HA -0.151 4.189 4.340 -0.000 0.000 0.352 352 R C -0.072 176.124 176.300 -0.174 0.000 1.178 352 R CA 0.898 56.831 56.100 -0.278 0.000 0.949 352 R CB -2.297 27.627 30.300 -0.626 0.000 1.452 352 R HN 0.805 nan 8.270 nan 0.000 0.540 353 S N 0.487 116.135 115.700 -0.086 0.000 2.509 353 S HA 0.120 4.590 4.470 -0.000 0.000 0.287 353 S C 0.406 174.997 174.600 -0.015 0.000 1.248 353 S CA -0.117 58.047 58.200 -0.060 0.000 1.089 353 S CB 0.635 63.806 63.200 -0.048 0.000 0.900 353 S HN 0.272 nan 8.310 nan 0.000 0.496 354 C N 5.911 125.202 119.300 -0.015 0.000 2.203 354 C HA 0.471 4.931 4.460 -0.000 0.000 0.325 354 C C 0.406 175.396 174.990 -0.001 0.000 1.156 354 C CA -0.851 58.177 59.018 0.016 0.000 1.597 354 C CB -1.534 26.227 27.740 0.034 0.000 2.148 354 C HN 0.720 nan 8.230 nan 0.000 0.472 355 I N 3.215 123.783 120.570 -0.004 0.000 2.339 355 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 355 I C 0.548 176.659 176.117 -0.010 0.000 0.994 355 I CA 0.401 61.693 61.300 -0.013 0.000 1.191 355 I CB 1.307 39.292 38.000 -0.026 0.000 1.343 355 I HN 0.543 nan 8.210 nan 0.000 0.458 356 S N 4.094 119.789 115.700 -0.009 0.000 2.681 356 S HA 0.277 4.747 4.470 -0.000 0.000 0.270 356 S C -0.156 174.436 174.600 -0.014 0.000 1.209 356 S CA -0.797 57.398 58.200 -0.007 0.000 0.988 356 S CB 0.725 63.925 63.200 -0.000 0.000 1.006 356 S HN 0.495 nan 8.310 nan 0.000 0.558 357 E N 0.465 120.659 120.200 -0.010 0.000 2.436 357 E HA 0.366 4.716 4.350 -0.000 0.000 0.262 357 E C 1.354 177.944 176.600 -0.015 0.000 1.063 357 E CA 0.911 57.303 56.400 -0.013 0.000 0.944 357 E CB -0.210 29.486 29.700 -0.007 0.000 0.950 357 E HN 0.850 nan 8.360 nan 0.000 0.444 358 G N 0.683 109.471 108.800 -0.020 0.000 2.238 358 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.270 358 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.270 358 G C 0.551 175.429 174.900 -0.037 0.000 0.977 358 G CA 0.471 45.558 45.100 -0.022 0.000 0.639 358 G HN 0.864 nan 8.290 nan 0.000 0.544 359 A N -0.373 122.422 122.820 -0.042 0.000 2.386 359 A HA 0.679 4.999 4.320 -0.000 0.000 0.248 359 A C 0.285 177.803 177.584 -0.110 0.000 1.082 359 A CA 0.330 52.332 52.037 -0.058 0.000 0.789 359 A CB 0.371 19.347 19.000 -0.040 0.000 1.025 359 A HN 0.843 nan 8.150 nan 0.000 0.490 360 I N 2.668 123.138 120.570 -0.167 0.000 2.468 360 I HA 0.247 4.417 4.170 -0.000 0.000 0.285 360 I C -1.015 174.988 176.117 -0.190 0.000 1.039 360 I CA -0.338 60.811 61.300 -0.252 0.000 1.074 360 I CB 1.517 39.230 38.000 -0.478 0.000 1.228 360 I HN 0.373 nan 8.210 nan 0.000 0.436 361 I N 6.421 126.908 120.570 -0.140 0.000 2.339 361 I HA 0.389 4.559 4.170 -0.000 0.000 0.290 361 I C -0.048 176.056 176.117 -0.022 0.000 0.994 361 I CA -0.383 60.884 61.300 -0.055 0.000 1.191 361 I CB 1.276 39.242 38.000 -0.056 0.000 1.343 361 I HN 0.677 nan 8.210 nan 0.000 0.458 362 E N 4.595 124.851 120.200 0.092 0.000 2.331 362 E HA 0.340 4.690 4.350 -0.000 0.000 0.275 362 E C -1.036 175.682 176.600 0.196 0.000 0.895 362 E CA -0.727 55.785 56.400 0.186 0.000 0.753 362 E CB 1.925 31.799 29.700 0.291 0.000 1.216 362 E HN 0.449 nan 8.360 nan 0.000 0.434 363 D N 0.934 121.473 120.400 0.230 0.000 2.702 363 D HA -0.156 4.484 4.640 -0.000 0.000 0.233 363 D C -0.744 175.697 176.300 0.234 0.000 1.164 363 D CA 1.388 55.554 54.000 0.277 0.000 0.638 363 D CB -0.926 40.055 40.800 0.302 0.000 1.041 363 D HN 0.399 nan 8.370 nan 0.000 0.422 364 S N -0.646 115.126 115.700 0.121 0.000 2.745 364 S HA 0.759 5.229 4.470 -0.000 0.000 0.306 364 S C -0.505 174.086 174.600 -0.015 0.000 1.137 364 S CA -0.884 57.386 58.200 0.118 0.000 0.900 364 S CB 2.682 65.954 63.200 0.120 0.000 1.176 364 S HN 0.213 nan 8.310 nan 0.000 0.520 365 L N 1.854 123.087 121.223 0.015 0.000 2.406 365 L HA 0.611 4.951 4.340 -0.000 0.000 0.270 365 L C -2.083 174.798 176.870 0.018 0.000 0.982 365 L CA -0.498 54.318 54.840 -0.039 0.000 0.843 365 L CB 0.903 42.915 42.059 -0.079 0.000 1.225 365 L HN 0.408 nan 8.230 nan 0.000 0.412 366 L N 6.521 127.738 121.223 -0.010 0.000 2.255 366 L HA 0.369 4.709 4.340 -0.000 0.000 0.289 366 L C 1.261 178.126 176.870 -0.010 0.000 1.046 366 L CA 0.039 54.877 54.840 -0.003 0.000 0.816 366 L CB 1.435 43.482 42.059 -0.021 0.000 1.197 366 L HN 0.708 nan 8.230 nan 0.000 0.427 367 M N 1.484 121.091 119.600 0.012 0.000 2.358 367 M HA 0.057 4.537 4.480 -0.000 0.000 0.264 367 M C 1.307 177.588 176.300 -0.031 0.000 1.064 367 M CA 1.027 56.334 55.300 0.011 0.000 1.093 367 M CB -0.982 31.634 32.600 0.027 0.000 1.401 367 M HN 0.845 nan 8.290 nan 0.000 0.440 368 G N 0.139 108.909 108.800 -0.050 0.000 2.481 368 G HA2 0.032 3.992 3.960 -0.000 0.000 0.230 368 G HA3 0.032 3.992 3.960 -0.000 0.000 0.230 368 G C -0.833 173.992 174.900 -0.125 0.000 1.210 368 G CA -0.124 44.923 45.100 -0.088 0.000 0.936 368 G HN 0.934 nan 8.290 nan 0.000 0.583 369 A N -1.364 121.348 122.820 -0.180 0.000 2.594 369 A HA 0.709 5.029 4.320 -0.000 0.000 0.295 369 A C -0.024 177.401 177.584 -0.264 0.000 1.071 369 A CA 0.668 52.551 52.037 -0.256 0.000 0.685 369 A CB 1.297 20.087 19.000 -0.350 0.000 1.285 369 A HN 0.652 nan 8.150 nan 0.000 0.405 370 D N -0.062 120.192 120.400 -0.244 0.000 2.349 370 D HA 0.236 4.876 4.640 -0.000 0.000 0.224 370 D C -0.133 176.179 176.300 0.019 0.000 1.029 370 D CA 1.836 55.787 54.000 -0.082 0.000 0.879 370 D CB -0.158 40.676 40.800 0.057 0.000 0.906 370 D HN 0.574 nan 8.370 nan 0.000 0.528 371 Y N -2.701 117.487 120.300 -0.187 0.000 2.960 371 Y HA 0.424 4.974 4.550 0.000 0.000 0.361 371 Y C -1.892 173.855 175.900 -0.254 0.000 1.318 371 Y CA -1.710 56.285 58.100 -0.174 0.000 1.103 371 Y CB 0.257 38.701 38.460 -0.027 0.000 1.650 371 Y HN -0.279 nan 8.280 nan 0.000 0.436 372 Y N 0.390 120.887 120.300 0.328 0.000 2.549 372 Y HA 0.627 5.177 4.550 -0.000 0.000 0.339 372 Y C -0.427 175.653 175.900 0.301 0.000 1.053 372 Y CA -1.097 57.115 58.100 0.186 0.000 1.105 372 Y CB 2.117 40.638 38.460 0.102 0.000 1.258 372 Y HN 0.479 nan 8.280 nan 0.000 0.478 373 E N 0.764 121.172 120.200 0.347 0.000 2.171 373 E HA 0.310 4.660 4.350 -0.000 0.000 0.271 373 E C -0.782 175.915 176.600 0.162 0.000 0.916 373 E CA -0.882 55.668 56.400 0.250 0.000 0.774 373 E CB 1.616 31.430 29.700 0.190 0.000 1.128 373 E HN 0.651 nan 8.360 nan 0.000 0.403 374 T N -0.407 114.215 114.554 0.114 0.000 2.868 374 T HA 0.064 4.414 4.350 -0.000 0.000 0.292 374 T C 0.627 175.357 174.700 0.050 0.000 1.028 374 T CA -0.709 61.430 62.100 0.065 0.000 1.059 374 T CB 0.781 69.675 68.868 0.043 0.000 0.991 374 T HN 0.224 nan 8.240 nan 0.000 0.531 375 D N 1.066 121.485 120.400 0.031 0.000 2.351 375 D HA 0.015 4.655 4.640 -0.000 0.000 0.216 375 D C 1.995 178.309 176.300 0.023 0.000 0.968 375 D CA 1.195 55.210 54.000 0.024 0.000 0.899 375 D CB -0.377 40.430 40.800 0.012 0.000 0.907 375 D HN 0.752 nan 8.370 nan 0.000 0.514 376 A N 0.265 123.099 122.820 0.023 0.000 1.984 376 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 376 A C 1.680 179.280 177.584 0.026 0.000 1.173 376 A CA 0.655 52.704 52.037 0.020 0.000 0.673 376 A CB 0.162 19.171 19.000 0.015 0.000 0.830 376 A HN -0.050 nan 8.150 nan 0.000 0.453 377 D N -0.060 120.363 120.400 0.037 0.000 2.162 377 D HA -0.046 4.594 4.640 -0.000 0.000 0.203 377 D C 2.143 178.471 176.300 0.047 0.000 0.967 377 D CA 0.746 54.773 54.000 0.045 0.000 0.840 377 D CB -0.278 40.561 40.800 0.065 0.000 0.972 377 D HN 0.363 nan 8.370 nan 0.000 0.482 378 R N 0.846 121.374 120.500 0.048 0.000 2.073 378 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 378 R C 2.162 178.481 176.300 0.032 0.000 1.134 378 R CA 1.058 57.184 56.100 0.043 0.000 0.952 378 R CB -0.127 30.196 30.300 0.040 0.000 0.850 378 R HN 0.188 nan 8.270 nan 0.000 0.433 379 K N 0.586 121.002 120.400 0.027 0.000 2.113 379 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 379 K C 1.844 178.457 176.600 0.021 0.000 1.047 379 K CA 1.109 57.409 56.287 0.021 0.000 0.928 379 K CB -0.269 32.241 32.500 0.017 0.000 0.716 379 K HN 0.040 nan 8.250 nan 0.000 0.446 380 L N 1.018 122.256 121.223 0.024 0.000 2.622 380 L HA -0.027 4.313 4.340 -0.000 0.000 0.233 380 L C 1.340 178.226 176.870 0.026 0.000 1.156 380 L CA 1.074 55.928 54.840 0.023 0.000 0.866 380 L CB -0.010 42.063 42.059 0.024 0.000 0.980 380 L HN 0.148 nan 8.230 nan 0.000 0.448 381 L N -2.081 119.159 121.223 0.029 0.000 2.269 381 L HA 0.142 4.482 4.340 -0.000 0.000 0.200 381 L C 2.518 179.403 176.870 0.025 0.000 1.069 381 L CA 0.739 55.597 54.840 0.030 0.000 0.804 381 L CB -0.700 41.380 42.059 0.035 0.000 0.987 381 L HN 0.219 nan 8.230 nan 0.000 0.468 382 A N 0.613 123.446 122.820 0.023 0.000 1.851 382 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 382 A C 2.035 179.630 177.584 0.018 0.000 1.195 382 A CA 1.742 53.791 52.037 0.020 0.000 0.622 382 A CB -0.862 18.149 19.000 0.018 0.000 0.831 382 A HN 0.350 nan 8.150 nan 0.000 0.444 383 A N -1.374 121.456 122.820 0.017 0.000 2.233 383 A HA 0.267 4.587 4.320 -0.000 0.000 0.230 383 A C 1.299 178.892 177.584 0.016 0.000 1.347 383 A CA 1.180 53.226 52.037 0.015 0.000 1.087 383 A CB -0.568 18.441 19.000 0.014 0.000 0.871 383 A HN 0.556 nan 8.150 nan 0.000 0.519 384 K N -1.439 118.971 120.400 0.018 0.000 2.608 384 K HA 0.266 4.586 4.320 -0.000 0.000 0.209 384 K C 0.732 177.343 176.600 0.019 0.000 1.369 384 K CA 0.656 56.953 56.287 0.018 0.000 1.029 384 K CB 0.267 32.780 32.500 0.021 0.000 1.139 384 K HN 0.875 nan 8.250 nan 0.000 0.623 385 G N 1.547 110.358 108.800 0.019 0.000 2.272 385 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.280 385 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.280 385 G C -0.429 174.484 174.900 0.022 0.000 1.067 385 G CA 0.824 45.936 45.100 0.019 0.000 0.902 385 G HN 0.321 nan 8.290 nan 0.000 0.500 386 S N -1.770 113.944 115.700 0.024 0.000 2.595 386 S HA 0.809 5.279 4.470 -0.000 0.000 0.281 386 S C 0.015 174.632 174.600 0.027 0.000 1.117 386 S CA 0.021 58.237 58.200 0.027 0.000 0.873 386 S CB 2.104 65.322 63.200 0.030 0.000 1.108 386 S HN 1.690 nan 8.310 nan 0.000 0.477 387 V N 1.846 121.777 119.914 0.027 0.000 2.483 387 V HA 0.794 4.914 4.120 -0.000 0.000 0.295 387 V C -2.584 173.525 176.094 0.026 0.000 1.035 387 V CA -2.341 59.974 62.300 0.025 0.000 0.896 387 V CB 1.107 32.944 31.823 0.024 0.000 0.986 387 V HN 0.759 nan 8.190 nan 0.000 0.447 388 P HA 0.323 nan 4.420 nan 0.000 0.275 388 P C 0.178 177.484 177.300 0.009 0.000 1.228 388 P CA -0.296 62.821 63.100 0.027 0.000 0.786 388 P CB 0.933 32.653 31.700 0.033 0.000 0.927 389 I N 1.164 121.728 120.570 -0.009 0.000 2.880 389 I HA 0.200 4.370 4.170 -0.000 0.000 0.296 389 I C 1.383 177.474 176.117 -0.043 0.000 1.220 389 I CA 1.562 62.830 61.300 -0.053 0.000 1.435 389 I CB -0.810 37.103 38.000 -0.144 0.000 1.339 389 I HN 0.743 nan 8.210 nan 0.000 0.583 390 G N 5.074 113.847 108.800 -0.045 0.000 2.555 390 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.686 390 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.686 390 G C -0.986 173.906 174.900 -0.013 0.000 1.275 390 G CA -1.165 43.916 45.100 -0.032 0.000 0.871 390 G HN 0.423 nan 8.290 nan 0.000 0.603 391 I N 2.719 123.283 120.570 -0.011 0.000 2.483 391 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 391 I C 1.718 177.836 176.117 0.001 0.000 1.112 391 I CA 1.175 62.473 61.300 -0.003 0.000 1.350 391 I CB 0.303 38.299 38.000 -0.007 0.000 1.419 391 I HN 0.934 nan 8.210 nan 0.000 0.523 392 G N 6.193 114.998 108.800 0.007 0.000 2.661 392 G HA2 0.057 4.017 3.960 -0.000 0.000 0.272 392 G HA3 0.057 4.017 3.960 -0.000 0.000 0.272 392 G C 0.187 175.091 174.900 0.007 0.000 1.296 392 G CA -0.663 44.443 45.100 0.009 0.000 0.998 392 G HN 0.559 nan 8.290 nan 0.000 0.553 393 K N 0.325 120.730 120.400 0.009 0.000 2.276 393 K HA 0.031 4.351 4.320 -0.000 0.000 0.259 393 K C 0.424 177.030 176.600 0.009 0.000 1.001 393 K CA -0.205 56.085 56.287 0.006 0.000 0.927 393 K CB 0.250 32.755 32.500 0.008 0.000 0.969 393 K HN 0.491 nan 8.250 nan 0.000 0.490 394 N N -0.075 118.628 118.700 0.005 0.000 2.693 394 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 394 N C -0.362 175.164 175.510 0.026 0.000 1.033 394 N CA 0.607 53.663 53.050 0.010 0.000 0.747 394 N CB -1.629 36.869 38.487 0.018 0.000 0.964 394 N HN 0.423 nan 8.380 nan 0.000 0.540 395 C N -0.431 118.882 119.300 0.021 0.000 2.470 395 C HA 0.335 4.795 4.460 -0.000 0.000 0.350 395 C C 1.006 176.041 174.990 0.075 0.000 1.341 395 C CA -0.450 58.597 59.018 0.049 0.000 2.440 395 C CB 1.140 28.900 27.740 0.035 0.000 2.295 395 C HN 0.438 nan 8.230 nan 0.000 0.645 396 H N 1.498 120.572 119.070 0.008 0.000 3.240 396 H HA 0.420 4.976 4.556 0.000 0.000 0.326 396 H C -1.329 174.007 175.328 0.015 0.000 1.015 396 H CA -0.585 55.472 56.048 0.015 0.000 1.504 396 H CB 0.449 30.221 29.762 0.017 0.000 1.754 396 H HN 0.402 nan 8.280 nan 0.000 0.505 397 I N 4.834 125.540 120.570 0.227 0.000 2.328 397 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 397 I C 0.052 176.294 176.117 0.210 0.000 1.012 397 I CA -0.485 60.914 61.300 0.165 0.000 1.195 397 I CB 0.998 39.049 38.000 0.086 0.000 1.350 397 I HN 0.332 nan 8.210 nan 0.000 0.464 398 K N 5.525 126.029 120.400 0.174 0.000 2.376 398 K HA 0.418 4.738 4.320 -0.000 0.000 0.257 398 K C -0.044 176.630 176.600 0.124 0.000 0.939 398 K CA -0.985 55.397 56.287 0.159 0.000 0.809 398 K CB 2.299 34.865 32.500 0.110 0.000 1.121 398 K HN 0.461 nan 8.250 nan 0.000 0.425 399 R N 1.743 122.347 120.500 0.174 0.000 2.884 399 R HA -0.270 4.070 4.340 -0.000 0.000 0.251 399 R C -1.577 174.812 176.300 0.148 0.000 0.870 399 R CA 0.788 57.007 56.100 0.198 0.000 0.647 399 R CB -1.194 29.157 30.300 0.085 0.000 1.415 399 R HN 0.757 nan 8.270 nan 0.000 0.513 400 A N 3.538 126.499 122.820 0.236 0.000 2.602 400 A HA 0.767 5.087 4.320 -0.000 0.000 0.290 400 A C -0.803 176.928 177.584 0.245 0.000 1.114 400 A CA -0.807 51.336 52.037 0.178 0.000 0.683 400 A CB 1.448 20.506 19.000 0.098 0.000 1.281 400 A HN 0.350 nan 8.150 nan 0.000 0.416 401 I N 1.470 122.159 120.570 0.199 0.000 2.466 401 I HA 0.303 4.473 4.170 -0.000 0.000 0.279 401 I C -1.116 175.075 176.117 0.124 0.000 1.033 401 I CA -0.052 61.367 61.300 0.198 0.000 1.123 401 I CB 1.167 39.321 38.000 0.258 0.000 1.237 401 I HN 0.437 nan 8.210 nan 0.000 0.460 402 I N 5.091 125.715 120.570 0.090 0.000 2.291 402 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 402 I C 0.564 176.705 176.117 0.040 0.000 1.050 402 I CA -0.312 61.022 61.300 0.057 0.000 1.245 402 I CB 0.454 38.476 38.000 0.037 0.000 1.405 402 I HN 0.476 nan 8.210 nan 0.000 0.478 403 D N 6.139 126.558 120.400 0.032 0.000 2.312 403 D HA 0.071 4.711 4.640 -0.000 0.000 0.244 403 D C 0.358 176.649 176.300 -0.015 0.000 1.328 403 D CA 0.091 54.098 54.000 0.011 0.000 0.965 403 D CB 0.745 41.541 40.800 -0.005 0.000 1.140 403 D HN 0.319 nan 8.370 nan 0.000 0.523 404 K N 1.233 121.615 120.400 -0.029 0.000 2.401 404 K HA 0.025 4.345 4.320 -0.000 0.000 0.278 404 K C 0.359 176.911 176.600 -0.080 0.000 1.018 404 K CA 0.014 56.264 56.287 -0.061 0.000 0.981 404 K CB 0.271 32.737 32.500 -0.055 0.000 0.933 404 K HN 0.349 nan 8.250 nan 0.000 0.477 405 N N -0.895 117.721 118.700 -0.140 0.000 2.828 405 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 405 N C -0.510 174.944 175.510 -0.094 0.000 1.044 405 N CA 1.130 54.075 53.050 -0.174 0.000 0.851 405 N CB -1.415 36.983 38.487 -0.149 0.000 1.136 405 N HN 0.748 nan 8.380 nan 0.000 0.572 406 A N 0.952 123.735 122.820 -0.062 0.000 2.546 406 A HA 0.261 4.581 4.320 -0.000 0.000 0.243 406 A C 0.671 178.241 177.584 -0.024 0.000 1.063 406 A CA 0.399 52.420 52.037 -0.025 0.000 0.757 406 A CB 0.183 19.178 19.000 -0.008 0.000 0.991 406 A HN 0.262 nan 8.150 nan 0.000 0.503 407 R N 2.116 122.614 120.500 -0.003 0.000 2.246 407 R HA 0.502 4.842 4.340 -0.000 0.000 0.332 407 R C -1.125 175.186 176.300 0.017 0.000 0.974 407 R CA -0.033 56.069 56.100 0.004 0.000 0.837 407 R CB 1.077 31.385 30.300 0.013 0.000 1.145 407 R HN 0.685 nan 8.270 nan 0.000 0.467 408 I N 2.784 123.363 120.570 0.014 0.000 2.437 408 I HA 0.243 4.413 4.170 -0.000 0.000 0.279 408 I C 0.930 177.060 176.117 0.021 0.000 1.028 408 I CA -0.644 60.669 61.300 0.022 0.000 1.142 408 I CB 1.757 39.769 38.000 0.020 0.000 1.266 408 I HN 0.680 nan 8.210 nan 0.000 0.461 409 G N 4.151 112.966 108.800 0.025 0.000 2.750 409 G HA2 0.016 3.976 3.960 -0.000 0.000 0.250 409 G HA3 0.016 3.976 3.960 -0.000 0.000 0.250 409 G C -0.127 174.786 174.900 0.023 0.000 1.230 409 G CA -0.363 44.751 45.100 0.024 0.000 0.883 409 G HN 0.528 nan 8.290 nan 0.000 0.573 410 D N 0.329 120.741 120.400 0.021 0.000 2.478 410 D HA -0.000 4.640 4.640 -0.000 0.000 0.234 410 D C 0.921 177.235 176.300 0.024 0.000 1.154 410 D CA 0.528 54.540 54.000 0.020 0.000 0.874 410 D CB 0.240 41.051 40.800 0.018 0.000 1.198 410 D HN 0.429 nan 8.370 nan 0.000 0.455 411 N N -0.536 118.180 118.700 0.026 0.000 2.727 411 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 411 N C -0.711 174.819 175.510 0.035 0.000 1.048 411 N CA 0.242 53.312 53.050 0.032 0.000 0.714 411 N CB -1.182 37.322 38.487 0.028 0.000 0.959 411 N HN 0.108 nan 8.380 nan 0.000 0.544 412 V N 0.608 120.544 119.914 0.036 0.000 2.785 412 V HA 0.276 4.396 4.120 -0.000 0.000 0.300 412 V C 0.772 176.892 176.094 0.044 0.000 1.062 412 V CA -0.071 62.248 62.300 0.033 0.000 1.029 412 V CB 1.871 33.711 31.823 0.029 0.000 1.024 412 V HN 0.033 nan 8.190 nan 0.000 0.477 413 K N 4.369 124.782 120.400 0.022 0.000 2.752 413 K HA 0.444 4.764 4.320 -0.000 0.000 0.199 413 K C -0.887 175.696 176.600 -0.028 0.000 1.069 413 K CA -0.098 56.198 56.287 0.016 0.000 1.033 413 K CB 1.243 33.738 32.500 -0.008 0.000 1.229 413 K HN 0.500 nan 8.250 nan 0.000 0.572 414 I N 4.487 125.049 120.570 -0.014 0.000 2.278 414 I HA 0.104 4.274 4.170 -0.000 0.000 0.300 414 I C 1.430 177.521 176.117 -0.042 0.000 1.174 414 I CA 0.158 61.423 61.300 -0.058 0.000 1.347 414 I CB -0.134 37.841 38.000 -0.042 0.000 1.473 414 I HN 0.466 nan 8.210 nan 0.000 0.595 415 I N 1.010 121.532 120.570 -0.080 0.000 4.403 415 I HA 0.319 4.489 4.170 -0.000 0.000 0.331 415 I C 0.575 176.648 176.117 -0.074 0.000 1.327 415 I CA -0.238 61.008 61.300 -0.090 0.000 1.175 415 I CB 0.241 38.138 38.000 -0.171 0.000 1.165 415 I HN 0.458 nan 8.210 nan 0.000 0.413 416 N N 3.674 122.325 118.700 -0.082 0.000 2.641 416 N HA -0.214 4.526 4.740 -0.000 0.000 0.267 416 N C 0.875 176.355 175.510 -0.049 0.000 1.087 416 N CA 1.123 54.133 53.050 -0.065 0.000 0.731 416 N CB -0.389 38.068 38.487 -0.051 0.000 0.886 416 N HN 0.762 nan 8.380 nan 0.000 0.547 417 K N -0.394 119.976 120.400 -0.051 0.000 2.000 417 K HA -0.181 4.139 4.320 -0.000 0.000 0.218 417 K C 0.120 176.704 176.600 -0.027 0.000 1.053 417 K CA 1.721 57.983 56.287 -0.041 0.000 0.946 417 K CB -0.213 32.264 32.500 -0.038 0.000 0.723 417 K HN 0.336 nan 8.250 nan 0.000 0.446 418 D N 2.150 122.538 120.400 -0.019 0.000 2.977 418 D HA 0.028 4.668 4.640 -0.000 0.000 0.241 418 D C -0.711 175.584 176.300 -0.008 0.000 1.206 418 D CA 0.045 54.039 54.000 -0.011 0.000 0.902 418 D CB -1.008 39.789 40.800 -0.005 0.000 1.131 418 D HN 0.274 nan 8.370 nan 0.000 0.447 419 N N 0.563 119.255 118.700 -0.012 0.000 2.990 419 N HA -0.178 4.562 4.740 -0.000 0.000 0.290 419 N C 0.767 176.275 175.510 -0.003 0.000 1.036 419 N CA -0.365 52.680 53.050 -0.010 0.000 0.874 419 N CB -0.173 38.309 38.487 -0.008 0.000 0.921 419 N HN 0.127 nan 8.380 nan 0.000 0.613 420 V N 0.231 120.145 119.914 -0.000 0.000 4.045 420 V HA -0.109 4.011 4.120 -0.000 0.000 0.265 420 V C 1.265 177.366 176.094 0.012 0.000 0.889 420 V CA 0.645 62.950 62.300 0.008 0.000 0.887 420 V CB 0.480 32.312 31.823 0.017 0.000 1.193 420 V HN 0.501 nan 8.190 nan 0.000 0.406 421 Q N -1.619 118.194 119.800 0.022 0.000 1.596 421 Q HA 0.295 4.635 4.340 -0.000 0.000 0.145 421 Q C -0.171 175.861 176.000 0.054 0.000 0.451 421 Q CA -0.260 55.561 55.803 0.030 0.000 0.764 421 Q CB -0.022 28.732 28.738 0.027 0.000 0.814 421 Q HN 0.698 nan 8.270 nan 0.000 0.190 422 E N 0.380 120.612 120.200 0.054 0.000 2.280 422 E HA 0.767 5.117 4.350 -0.000 0.000 0.264 422 E C -0.785 175.822 176.600 0.012 0.000 1.064 422 E CA 0.058 56.503 56.400 0.076 0.000 0.900 422 E CB 1.662 31.412 29.700 0.082 0.000 1.123 422 E HN 0.489 nan 8.360 nan 0.000 0.418 423 A N 0.072 122.847 122.820 -0.076 0.000 2.775 423 A HA 0.849 5.169 4.320 -0.000 0.000 0.305 423 A C -1.723 175.512 177.584 -0.581 0.000 1.082 423 A CA -0.162 51.760 52.037 -0.192 0.000 0.591 423 A CB 0.398 19.366 19.000 -0.054 0.000 1.472 423 A HN 0.944 nan 8.150 nan 0.000 0.636 424 A N -0.503 122.007 122.820 -0.516 0.000 2.562 424 A HA 0.694 5.014 4.320 -0.000 0.000 0.305 424 A C -1.142 176.184 177.584 -0.429 0.000 1.059 424 A CA -0.451 51.153 52.037 -0.721 0.000 0.835 424 A CB 0.946 19.562 19.000 -0.640 0.000 1.299 424 A HN 1.009 nan 8.150 nan 0.000 0.392 425 R N 2.300 122.532 120.500 -0.446 0.000 2.499 425 R HA 0.123 4.463 4.340 -0.000 0.000 0.252 425 R C 0.065 176.169 176.300 -0.327 0.000 1.309 425 R CA -0.406 55.403 56.100 -0.486 0.000 1.425 425 R CB 0.429 30.121 30.300 -1.013 0.000 1.392 425 R HN 0.843 nan 8.270 nan 0.000 0.766 426 E N 0.544 120.678 120.200 -0.110 0.000 2.048 426 E HA -0.195 4.155 4.350 -0.000 0.000 0.202 426 E C 1.410 177.992 176.600 -0.030 0.000 1.021 426 E CA 2.637 59.048 56.400 0.020 0.000 0.825 426 E CB -0.115 29.646 29.700 0.102 0.000 0.756 426 E HN 0.430 nan 8.360 nan 0.000 0.454 427 T N -0.545 113.980 114.554 -0.049 0.000 3.052 427 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 427 T C 0.694 175.361 174.700 -0.055 0.000 1.147 427 T CA 1.082 63.159 62.100 -0.039 0.000 1.089 427 T CB -0.038 68.807 68.868 -0.038 0.000 0.875 427 T HN -0.061 nan 8.240 nan 0.000 0.541 428 D N 0.767 121.093 120.400 -0.123 0.000 2.670 428 D HA 0.311 4.951 4.640 -0.000 0.000 0.255 428 D C 1.440 177.723 176.300 -0.029 0.000 1.286 428 D CA 0.181 54.112 54.000 -0.114 0.000 0.830 428 D CB 0.178 40.822 40.800 -0.259 0.000 1.065 428 D HN 0.480 nan 8.370 nan 0.000 0.486 429 G N 1.717 110.526 108.800 0.015 0.000 2.225 429 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.272 429 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.272 429 G C 0.167 175.183 174.900 0.193 0.000 0.996 429 G CA 1.643 46.800 45.100 0.094 0.000 0.710 429 G HN 0.528 nan 8.290 nan 0.000 0.522 430 Y N -3.315 117.033 120.300 0.080 0.000 2.655 430 Y HA 0.821 5.371 4.550 -0.000 0.000 0.336 430 Y C -1.230 174.784 175.900 0.190 0.000 1.154 430 Y CA -3.252 54.916 58.100 0.114 0.000 1.055 430 Y CB 1.069 39.578 38.460 0.081 0.000 1.295 430 Y HN 0.427 nan 8.280 nan 0.000 0.465 431 F N 2.359 122.502 119.950 0.323 0.000 2.604 431 F HA 0.696 5.223 4.527 0.000 0.000 0.316 431 F C -1.909 174.038 175.800 0.245 0.000 1.136 431 F CA -1.730 56.403 58.000 0.221 0.000 0.989 431 F CB 1.530 40.626 39.000 0.159 0.000 1.258 431 F HN 0.563 nan 8.300 nan 0.000 0.451 432 I N 5.127 125.958 120.570 0.435 0.000 2.404 432 I HA 0.493 4.663 4.170 -0.000 0.000 0.293 432 I C -0.911 175.420 176.117 0.357 0.000 0.992 432 I CA -0.904 60.593 61.300 0.329 0.000 1.149 432 I CB 1.975 40.085 38.000 0.183 0.000 1.315 432 I HN 0.443 nan 8.210 nan 0.000 0.446 433 K N 3.081 123.647 120.400 0.277 0.000 2.501 433 K HA 0.429 4.749 4.320 -0.000 0.000 0.252 433 K C -0.115 176.546 176.600 0.101 0.000 0.934 433 K CA -0.413 56.008 56.287 0.223 0.000 0.797 433 K CB 1.746 34.383 32.500 0.228 0.000 1.270 433 K HN 0.496 nan 8.250 nan 0.000 0.431 434 S N 2.254 117.998 115.700 0.074 0.000 3.521 434 S HA -0.190 4.280 4.470 -0.000 0.000 0.362 434 S C 0.903 175.495 174.600 -0.013 0.000 1.044 434 S CA 1.366 59.582 58.200 0.026 0.000 1.091 434 S CB -1.863 61.346 63.200 0.015 0.000 0.908 434 S HN 1.347 nan 8.310 nan 0.000 0.473 435 G N -0.377 108.428 108.800 0.008 0.000 2.175 435 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.265 435 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.265 435 G C 0.016 174.890 174.900 -0.043 0.000 0.979 435 G CA 0.506 45.598 45.100 -0.013 0.000 0.663 435 G HN 0.794 nan 8.290 nan 0.000 0.533 436 I N 1.233 121.775 120.570 -0.047 0.000 2.312 436 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 436 I C 0.524 176.662 176.117 0.034 0.000 1.008 436 I CA -1.101 60.152 61.300 -0.078 0.000 1.226 436 I CB 1.786 39.674 38.000 -0.187 0.000 1.371 436 I HN -0.132 nan 8.210 nan 0.000 0.468 437 V N 5.419 125.351 119.914 0.029 0.000 2.405 437 V HA 0.122 4.242 4.120 -0.000 0.000 0.264 437 V C 0.470 176.624 176.094 0.101 0.000 1.048 437 V CA -0.075 62.255 62.300 0.050 0.000 0.966 437 V CB 0.338 32.120 31.823 -0.069 0.000 1.015 437 V HN 0.723 nan 8.190 nan 0.000 0.477 438 T N 5.011 119.664 114.554 0.166 0.000 2.853 438 T HA 0.324 4.674 4.350 -0.000 0.000 0.317 438 T C 0.024 174.818 174.700 0.157 0.000 1.059 438 T CA -0.316 61.872 62.100 0.145 0.000 0.954 438 T CB 0.963 69.895 68.868 0.107 0.000 0.994 438 T HN 0.350 nan 8.240 nan 0.000 0.479 439 V N 5.237 125.227 119.914 0.126 0.000 2.479 439 V HA 0.098 4.218 4.120 -0.000 0.000 0.281 439 V C 0.841 176.980 176.094 0.076 0.000 1.031 439 V CA -0.564 61.815 62.300 0.130 0.000 1.038 439 V CB -0.299 31.581 31.823 0.096 0.000 0.981 439 V HN 0.691 nan 8.190 nan 0.000 0.478 440 I N 4.991 125.604 120.570 0.072 0.000 2.872 440 I HA -0.019 4.151 4.170 -0.000 0.000 0.291 440 I C 0.941 177.058 176.117 0.001 0.000 1.216 440 I CA 0.569 61.872 61.300 0.004 0.000 1.424 440 I CB 0.101 38.102 38.000 0.002 0.000 1.351 440 I HN 0.617 nan 8.210 nan 0.000 0.592 441 K N 5.813 126.197 120.400 -0.026 0.000 2.484 441 K HA -0.076 4.244 4.320 -0.000 0.000 0.280 441 K C -0.057 176.540 176.600 -0.005 0.000 1.013 441 K CA 0.304 56.580 56.287 -0.019 0.000 1.029 441 K CB 0.154 32.637 32.500 -0.027 0.000 0.902 441 K HN 0.729 nan 8.250 nan 0.000 0.481 442 D N 0.278 120.676 120.400 -0.004 0.000 2.911 442 D HA -0.194 4.446 4.640 -0.000 0.000 0.199 442 D C -0.287 176.024 176.300 0.019 0.000 1.041 442 D CA 1.383 55.388 54.000 0.008 0.000 1.013 442 D CB -1.428 39.383 40.800 0.020 0.000 1.093 442 D HN 0.743 nan 8.370 nan 0.000 0.431 443 A N 0.699 123.534 122.820 0.024 0.000 2.546 443 A HA 0.356 4.676 4.320 -0.000 0.000 0.243 443 A C 0.451 178.060 177.584 0.042 0.000 1.063 443 A CA 0.218 52.280 52.037 0.041 0.000 0.757 443 A CB 0.253 19.291 19.000 0.063 0.000 0.991 443 A HN 0.352 nan 8.150 nan 0.000 0.503 444 L N 4.434 125.684 121.223 0.044 0.000 2.277 444 L HA 0.528 4.868 4.340 -0.000 0.000 0.284 444 L C -0.919 175.983 176.870 0.053 0.000 1.028 444 L CA -0.487 54.378 54.840 0.042 0.000 0.835 444 L CB 0.370 42.450 42.059 0.036 0.000 1.215 444 L HN 0.650 nan 8.230 nan 0.000 0.425 445 I N 7.430 128.033 120.570 0.056 0.000 2.307 445 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 445 I C -1.961 174.186 176.117 0.051 0.000 1.054 445 I CA -1.959 59.381 61.300 0.067 0.000 1.218 445 I CB 1.041 39.086 38.000 0.076 0.000 1.398 445 I HN 0.434 nan 8.210 nan 0.000 0.475 446 P HA -0.018 nan 4.420 nan 0.000 0.269 446 P C -0.319 177.002 177.300 0.035 0.000 1.205 446 P CA 0.167 63.290 63.100 0.039 0.000 0.780 446 P CB 0.412 32.135 31.700 0.038 0.000 0.858 447 S N 0.974 116.692 115.700 0.030 0.000 2.573 447 S HA 0.306 4.776 4.470 -0.000 0.000 0.277 447 S C 1.698 176.314 174.600 0.027 0.000 1.346 447 S CA 0.688 58.904 58.200 0.027 0.000 1.034 447 S CB -0.303 62.910 63.200 0.023 0.000 0.879 447 S HN 0.936 nan 8.310 nan 0.000 0.528 448 G N 1.066 109.881 108.800 0.026 0.000 2.353 448 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.258 448 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.258 448 G C 0.360 175.275 174.900 0.025 0.000 1.013 448 G CA 0.250 45.364 45.100 0.024 0.000 0.622 448 G HN 0.595 nan 8.290 nan 0.000 0.535 449 I N 1.475 122.063 120.570 0.029 0.000 3.292 449 I HA 0.352 4.522 4.170 -0.000 0.000 0.279 449 I C 1.166 177.296 176.117 0.021 0.000 1.268 449 I CA 0.422 61.741 61.300 0.032 0.000 1.342 449 I CB 0.309 38.338 38.000 0.049 0.000 1.366 449 I HN 0.311 nan 8.210 nan 0.000 0.615 450 I N 4.404 124.983 120.570 0.015 0.000 3.264 450 I HA 0.495 4.665 4.170 -0.000 0.000 0.315 450 I C -0.458 175.636 176.117 -0.038 0.000 1.154 450 I CA -0.665 60.628 61.300 -0.011 0.000 0.962 450 I CB 2.533 40.527 38.000 -0.011 0.000 1.265 450 I HN 0.360 nan 8.210 nan 0.000 0.463 451 I N 0.000 120.517 120.570 -0.088 0.000 2.984 451 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 451 I CA 0.000 61.194 61.300 -0.176 0.000 1.566 451 I CB 0.000 37.767 38.000 -0.389 0.000 1.214 451 I HN 0.000 nan 8.210 nan 0.000 0.494