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 1fui_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKKISLPKIG IRPVIDGRRM GVRESLEEQT MNMAKATAAL LTEKLRHACG DATA SEQUENCE AAVECVISDT CIAGMAEAAA CEEKFSSQNV GLTITVTPCW CYGSETIDMD DATA SEQUENCE PTRPKAIWGF NGTERPGAVY LAAALAAHSQ KGIPAFSIYG HDVQDADDTS DATA SEQUENCE IPADVEEKLL RFARAGLAVA SMKGKSYLSL GGVSMGIAGS IVDHNFFESW DATA SEQUENCE LGMKVQAVDM TELRRRIDQK IYDEAELEMA LAWADKNFRY GEDENNKQYQ DATA SEQUENCE RNAEQSRAVL RESLLMAMCI RDMMQGNSKL ADIGRVEESL GYNAIAAGFQ DATA SEQUENCE GQRHWTDQYP NGDTAEAILN SSFDWNGVRE PFVVATENDS LNGVAMLMGH DATA SEQUENCE QLTGTAQVFA DVRTYWSPEA IERVTGHKLD GLAEHGIIHL INSGSAALDG DATA SEQUENCE SCKQRDSEGN PTMKPHWEIS QQEADACLAA TEWCPAIHEY FRGGGYSSRF DATA SEQUENCE LTEGGVPFTM TRVNIIKGLG PVLQIAEGWS VELPKDVHDI LNKRTNSTWP DATA SEQUENCE TTWFAPRLTG KGPFTDVYSV MANWGANHGV LTIGHVGADF ITLASMLRIP DATA SEQUENCE VCMHNVEETK VYRPSAWAAH GMDIEGQDYR ACQNYGPLYK R 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.287 176.300 -0.022 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.019 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 K N 0.590 120.977 120.400 -0.023 0.000 5.248 2 K HA -0.176 4.144 4.320 -0.000 0.000 0.573 2 K C -0.131 176.443 176.600 -0.042 0.000 2.577 2 K CA 0.671 56.941 56.287 -0.029 0.000 2.028 2 K CB -0.240 32.246 32.500 -0.024 0.000 2.551 2 K HN 0.669 nan 8.250 nan 0.000 0.155 3 K N -0.441 119.924 120.400 -0.059 0.000 3.016 3 K HA -0.205 4.115 4.320 -0.000 0.000 0.262 3 K C 0.498 177.052 176.600 -0.076 0.000 1.043 3 K CA 1.278 57.515 56.287 -0.083 0.000 0.761 3 K CB -1.469 30.987 32.500 -0.072 0.000 1.230 3 K HN 0.495 nan 8.250 nan 0.000 0.485 4 I N -1.291 119.242 120.570 -0.063 0.000 2.856 4 I HA 0.028 4.198 4.170 -0.000 0.000 0.312 4 I C -0.379 175.702 176.117 -0.059 0.000 1.186 4 I CA 0.408 61.679 61.300 -0.049 0.000 2.036 4 I CB -1.144 36.836 38.000 -0.034 0.000 1.589 4 I HN 0.248 nan 8.210 nan 0.000 0.968 5 S N 4.864 120.526 115.700 -0.062 0.000 3.509 5 S HA -0.150 4.320 4.470 -0.000 0.000 0.314 5 S C 0.337 174.888 174.600 -0.081 0.000 0.844 5 S CA 0.170 58.332 58.200 -0.063 0.000 1.361 5 S CB -1.168 62.010 63.200 -0.037 0.000 1.359 5 S HN 0.617 nan 8.310 nan 0.000 0.501 6 L N 4.629 125.769 121.223 -0.138 0.000 2.439 6 L HA 0.342 4.682 4.340 -0.000 0.000 0.269 6 L C -1.250 175.585 176.870 -0.058 0.000 1.179 6 L CA -1.882 52.842 54.840 -0.193 0.000 0.828 6 L CB 0.027 41.756 42.059 -0.551 0.000 1.106 6 L HN 0.285 nan 8.230 nan 0.000 0.467 7 P HA 0.146 nan 4.420 nan 0.000 0.272 7 P C -1.200 176.136 177.300 0.060 0.000 1.223 7 P CA -0.229 62.893 63.100 0.037 0.000 0.784 7 P CB 0.942 32.664 31.700 0.037 0.000 0.923 8 K N 1.325 121.717 120.400 -0.013 0.000 2.306 8 K HA 0.617 4.937 4.320 -0.000 0.000 0.236 8 K C -0.145 176.390 176.600 -0.109 0.000 1.013 8 K CA -1.033 55.224 56.287 -0.050 0.000 0.857 8 K CB 1.512 33.963 32.500 -0.082 0.000 1.214 8 K HN 0.389 nan 8.250 nan 0.000 0.449 9 I N 1.230 121.722 120.570 -0.130 0.000 2.339 9 I HA 0.239 4.409 4.170 -0.000 0.000 0.290 9 I C 0.344 176.317 176.117 -0.240 0.000 0.994 9 I CA -0.542 60.676 61.300 -0.137 0.000 1.191 9 I CB 1.691 39.643 38.000 -0.080 0.000 1.343 9 I HN 0.634 nan 8.210 nan 0.000 0.458 10 G N 7.260 115.846 108.800 -0.357 0.000 2.338 10 G HA2 0.666 4.625 3.960 -0.000 0.000 0.298 10 G HA3 0.666 4.625 3.960 -0.000 0.000 0.298 10 G C -0.596 174.234 174.900 -0.116 0.000 1.140 10 G CA -0.396 44.278 45.100 -0.710 0.000 0.860 10 G HN 0.508 nan 8.290 nan 0.000 0.470 11 I N 1.853 122.461 120.570 0.063 0.000 2.378 11 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 11 I C -0.031 176.270 176.117 0.307 0.000 0.992 11 I CA -0.718 60.691 61.300 0.182 0.000 1.154 11 I CB 1.989 40.058 38.000 0.115 0.000 1.315 11 I HN 0.331 nan 8.210 nan 0.000 0.448 12 R N 7.206 127.846 120.500 0.233 0.000 2.312 12 R HA 0.342 4.682 4.340 -0.000 0.000 0.310 12 R C -2.613 173.712 176.300 0.042 0.000 1.064 12 R CA -1.666 54.522 56.100 0.146 0.000 0.983 12 R CB 0.936 31.317 30.300 0.135 0.000 1.139 12 R HN 0.298 nan 8.270 nan 0.000 0.536 13 P HA 0.082 nan 4.420 nan 0.000 0.281 13 P C -0.322 176.897 177.300 -0.134 0.000 1.286 13 P CA -0.130 62.929 63.100 -0.068 0.000 0.772 13 P CB 1.403 33.068 31.700 -0.059 0.000 0.862 14 V N 6.300 126.089 119.914 -0.210 0.000 2.630 14 V HA 0.526 4.646 4.120 -0.000 0.000 0.305 14 V C 0.540 176.401 176.094 -0.388 0.000 1.046 14 V CA -0.654 61.454 62.300 -0.321 0.000 0.934 14 V CB 1.852 33.417 31.823 -0.430 0.000 1.003 14 V HN 0.534 nan 8.190 nan 0.000 0.451 15 I N 1.664 121.995 120.570 -0.398 0.000 3.004 15 I HA 0.402 4.572 4.170 -0.000 0.000 0.305 15 I C -1.076 174.772 176.117 -0.448 0.000 1.312 15 I CA -0.679 60.399 61.300 -0.369 0.000 0.992 15 I CB 2.404 40.255 38.000 -0.249 0.000 1.282 15 I HN 0.603 nan 8.210 nan 0.000 0.449 16 D N 3.263 123.434 120.400 -0.381 0.000 2.458 16 D HA 0.110 4.749 4.640 -0.000 0.000 0.243 16 D C 0.881 176.973 176.300 -0.348 0.000 1.146 16 D CA 0.660 54.408 54.000 -0.419 0.000 0.877 16 D CB 1.814 42.534 40.800 -0.134 0.000 1.176 16 D HN 0.721 nan 8.370 nan 0.000 0.461 17 G N 3.977 112.501 108.800 -0.460 0.000 2.712 17 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.212 17 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.212 17 G C 0.805 175.701 174.900 -0.007 0.000 1.142 17 G CA -0.151 44.842 45.100 -0.178 0.000 0.789 17 G HN 0.614 nan 8.290 nan 0.000 0.535 18 R N 0.742 121.282 120.500 0.066 0.000 2.442 18 R HA 0.345 4.685 4.340 -0.000 0.000 0.291 18 R C 0.220 176.540 176.300 0.033 0.000 1.069 18 R CA -0.405 55.745 56.100 0.085 0.000 1.022 18 R CB 0.921 31.302 30.300 0.135 0.000 0.976 18 R HN -0.036 nan 8.270 nan 0.000 0.443 19 R N 3.024 123.539 120.500 0.025 0.000 2.502 19 R HA 0.132 4.472 4.340 -0.000 0.000 0.188 19 R C 1.096 177.403 176.300 0.013 0.000 1.063 19 R CA -0.414 55.691 56.100 0.009 0.000 1.174 19 R CB -0.405 29.898 30.300 0.004 0.000 1.531 19 R HN 0.933 nan 8.270 nan 0.000 0.525 20 M N -0.802 118.802 119.600 0.007 0.000 2.908 20 M HA -0.288 4.192 4.480 -0.000 0.000 0.191 20 M C 0.234 176.537 176.300 0.006 0.000 0.619 20 M CA 1.643 56.948 55.300 0.008 0.000 0.709 20 M CB -1.040 31.568 32.600 0.013 0.000 2.554 20 M HN 0.980 nan 8.290 nan 0.000 0.356 21 G N -2.308 106.493 108.800 0.002 0.000 3.134 21 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.195 21 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.195 21 G C 0.129 175.027 174.900 -0.002 0.000 1.054 21 G CA 0.156 45.257 45.100 0.000 0.000 0.828 21 G HN 0.394 nan 8.290 nan 0.000 0.462 22 V N 1.950 121.867 119.914 0.005 0.000 2.239 22 V HA 0.014 4.134 4.120 -0.000 0.000 0.242 22 V C 2.642 178.724 176.094 -0.020 0.000 1.038 22 V CA 2.593 64.895 62.300 0.003 0.000 1.002 22 V CB -0.617 31.222 31.823 0.028 0.000 0.641 22 V HN 0.416 nan 8.190 nan 0.000 0.449 23 R N 0.596 121.079 120.500 -0.028 0.000 2.083 23 R HA -0.199 4.140 4.340 -0.000 0.000 0.237 23 R C 2.409 178.677 176.300 -0.054 0.000 1.137 23 R CA 1.985 58.051 56.100 -0.056 0.000 0.951 23 R CB -0.334 29.930 30.300 -0.061 0.000 0.851 23 R HN 0.746 nan 8.270 nan 0.000 0.434 24 E N 0.463 120.640 120.200 -0.039 0.000 2.153 24 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 24 E C 1.653 178.230 176.600 -0.039 0.000 0.988 24 E CA 1.607 57.985 56.400 -0.037 0.000 0.811 24 E CB -0.359 29.325 29.700 -0.027 0.000 0.746 24 E HN 0.460 nan 8.360 nan 0.000 0.466 25 S N -0.179 115.499 115.700 -0.036 0.000 2.527 25 S HA 0.034 4.504 4.470 -0.000 0.000 0.222 25 S C 1.674 176.241 174.600 -0.055 0.000 0.985 25 S CA 0.071 58.248 58.200 -0.038 0.000 0.921 25 S CB 0.063 63.247 63.200 -0.027 0.000 0.772 25 S HN 0.075 nan 8.310 nan 0.000 0.529 26 L N 1.313 122.496 121.223 -0.068 0.000 2.515 26 L HA 0.392 4.732 4.340 -0.000 0.000 0.223 26 L C 2.347 179.154 176.870 -0.106 0.000 1.079 26 L CA 0.603 55.387 54.840 -0.094 0.000 0.857 26 L CB -0.758 41.240 42.059 -0.102 0.000 1.050 26 L HN 0.203 nan 8.230 nan 0.000 0.476 27 E N 0.191 120.338 120.200 -0.089 0.000 2.065 27 E HA -0.323 4.027 4.350 -0.000 0.000 0.201 27 E C 1.807 178.357 176.600 -0.084 0.000 1.016 27 E CA 1.808 58.157 56.400 -0.086 0.000 0.818 27 E CB 0.097 29.756 29.700 -0.068 0.000 0.749 27 E HN 0.558 nan 8.360 nan 0.000 0.453 28 E N 0.646 120.802 120.200 -0.074 0.000 2.031 28 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 28 E C 2.262 178.810 176.600 -0.087 0.000 0.994 28 E CA 1.296 57.655 56.400 -0.068 0.000 0.800 28 E CB -0.042 29.625 29.700 -0.055 0.000 0.752 28 E HN 0.204 nan 8.360 nan 0.000 0.447 29 Q N -0.280 119.453 119.800 -0.113 0.000 2.096 29 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 29 Q C 1.958 177.850 176.000 -0.180 0.000 0.982 29 Q CA 2.185 57.893 55.803 -0.157 0.000 0.850 29 Q CB -0.017 28.598 28.738 -0.206 0.000 0.901 29 Q HN 0.249 nan 8.270 nan 0.000 0.422 30 T N 0.737 115.189 114.554 -0.171 0.000 2.737 30 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 30 T C 1.747 176.372 174.700 -0.124 0.000 1.038 30 T CA 1.219 63.214 62.100 -0.175 0.000 1.144 30 T CB -0.086 68.678 68.868 -0.173 0.000 0.866 30 T HN 0.258 nan 8.240 nan 0.000 0.434 31 M N 1.532 121.077 119.600 -0.091 0.000 2.229 31 M HA -0.012 4.468 4.480 -0.000 0.000 0.264 31 M C 1.866 178.144 176.300 -0.037 0.000 1.063 31 M CA 1.083 56.350 55.300 -0.054 0.000 1.114 31 M CB -1.185 31.389 32.600 -0.044 0.000 1.387 31 M HN 0.160 nan 8.290 nan 0.000 0.420 32 N N 0.105 118.775 118.700 -0.050 0.000 2.142 32 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 32 N C 1.672 177.178 175.510 -0.007 0.000 1.023 32 N CA 1.116 54.149 53.050 -0.028 0.000 0.852 32 N CB -0.354 38.107 38.487 -0.044 0.000 0.998 32 N HN 0.348 nan 8.380 nan 0.000 0.424 33 M N 0.422 119.992 119.600 -0.049 0.000 2.080 33 M HA -0.142 4.338 4.480 -0.000 0.000 0.260 33 M C 1.892 178.231 176.300 0.065 0.000 1.068 33 M CA 1.575 56.858 55.300 -0.029 0.000 1.109 33 M CB -0.040 32.438 32.600 -0.203 0.000 1.342 33 M HN 0.193 nan 8.290 nan 0.000 0.405 34 A N 0.259 123.094 122.820 0.024 0.000 1.877 34 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 34 A C 2.033 179.662 177.584 0.075 0.000 1.186 34 A CA 1.994 54.068 52.037 0.062 0.000 0.620 34 A CB -0.596 18.424 19.000 0.033 0.000 0.822 34 A HN 0.521 nan 8.150 nan 0.000 0.443 35 K N -0.392 120.038 120.400 0.050 0.000 2.057 35 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 35 K C 2.303 178.940 176.600 0.061 0.000 1.049 35 K CA 1.108 57.422 56.287 0.044 0.000 0.931 35 K CB -0.327 32.189 32.500 0.026 0.000 0.714 35 K HN 0.443 nan 8.250 nan 0.000 0.440 36 A N 0.856 123.728 122.820 0.086 0.000 1.933 36 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 36 A C 2.195 179.852 177.584 0.121 0.000 1.175 36 A CA 2.058 54.160 52.037 0.109 0.000 0.628 36 A CB -0.924 18.170 19.000 0.157 0.000 0.814 36 A HN 0.259 nan 8.150 nan 0.000 0.444 37 T N 0.219 114.876 114.554 0.172 0.000 2.737 37 T HA 0.006 4.356 4.350 -0.000 0.000 0.265 37 T C 2.243 176.988 174.700 0.076 0.000 1.038 37 T CA 1.551 63.745 62.100 0.157 0.000 1.144 37 T CB -0.440 68.576 68.868 0.246 0.000 0.866 37 T HN 0.594 nan 8.240 nan 0.000 0.434 38 A N 1.480 124.340 122.820 0.066 0.000 1.902 38 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 38 A C 2.648 180.239 177.584 0.010 0.000 1.181 38 A CA 1.827 53.881 52.037 0.029 0.000 0.623 38 A CB -1.132 17.884 19.000 0.027 0.000 0.818 38 A HN 0.499 nan 8.150 nan 0.000 0.443 39 A N -0.333 122.498 122.820 0.019 0.000 1.877 39 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 39 A C 2.169 179.750 177.584 -0.006 0.000 1.186 39 A CA 1.799 53.839 52.037 0.006 0.000 0.620 39 A CB -0.712 18.298 19.000 0.016 0.000 0.822 39 A HN 0.796 nan 8.150 nan 0.000 0.443 40 L N -0.235 120.987 121.223 -0.001 0.000 2.046 40 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 40 L C 2.290 179.137 176.870 -0.037 0.000 1.077 40 L CA 1.738 56.566 54.840 -0.021 0.000 0.747 40 L CB -0.411 41.632 42.059 -0.028 0.000 0.896 40 L HN 0.411 nan 8.230 nan 0.000 0.432 41 L N -0.828 120.375 121.223 -0.035 0.000 2.027 41 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 41 L C 2.570 179.395 176.870 -0.075 0.000 1.074 41 L CA 1.818 56.624 54.840 -0.055 0.000 0.745 41 L CB -1.287 40.745 42.059 -0.045 0.000 0.898 41 L HN 0.508 nan 8.230 nan 0.000 0.433 42 T N -3.492 111.025 114.554 -0.062 0.000 2.915 42 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 42 T C 1.622 176.277 174.700 -0.075 0.000 1.071 42 T CA 1.268 63.324 62.100 -0.073 0.000 1.132 42 T CB -0.117 68.720 68.868 -0.052 0.000 0.878 42 T HN 0.393 nan 8.240 nan 0.000 0.479 43 E N 0.753 120.917 120.200 -0.059 0.000 2.060 43 E HA -0.051 4.299 4.350 -0.000 0.000 0.189 43 E C 1.796 178.361 176.600 -0.059 0.000 0.974 43 E CA 0.538 56.905 56.400 -0.054 0.000 0.808 43 E CB 0.155 29.833 29.700 -0.036 0.000 0.768 43 E HN 0.267 nan 8.360 nan 0.000 0.453 44 K N -0.037 120.328 120.400 -0.059 0.000 2.400 44 K HA 0.193 4.513 4.320 -0.000 0.000 0.194 44 K C 0.548 177.107 176.600 -0.068 0.000 1.033 44 K CA 0.188 56.442 56.287 -0.054 0.000 1.021 44 K CB 0.624 33.094 32.500 -0.050 0.000 0.808 44 K HN 0.183 nan 8.250 nan 0.000 0.505 45 L N 1.239 122.399 121.223 -0.105 0.000 2.333 45 L HA 0.446 4.786 4.340 -0.000 0.000 0.269 45 L C -0.109 176.634 176.870 -0.212 0.000 1.010 45 L CA -0.966 53.788 54.840 -0.143 0.000 0.818 45 L CB 1.618 43.575 42.059 -0.171 0.000 1.306 45 L HN -0.173 nan 8.230 nan 0.000 0.430 46 R N 0.313 120.661 120.500 -0.254 0.000 2.698 46 R HA 0.428 4.768 4.340 -0.000 0.000 0.275 46 R C -0.967 175.145 176.300 -0.314 0.000 1.001 46 R CA -0.957 54.916 56.100 -0.378 0.000 0.896 46 R CB 1.848 31.708 30.300 -0.734 0.000 1.218 46 R HN 0.579 nan 8.270 nan 0.000 0.462 47 H N 0.462 119.390 119.070 -0.236 0.000 2.757 47 H HA 0.084 4.640 4.556 -0.000 0.000 0.370 47 H C 1.114 176.392 175.328 -0.084 0.000 1.172 47 H CA 0.549 56.513 56.048 -0.139 0.000 1.426 47 H CB 1.179 30.872 29.762 -0.115 0.000 1.438 47 H HN 0.769 nan 8.280 nan 0.000 0.612 48 A N 1.646 124.521 122.820 0.093 0.000 2.070 48 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 48 A C 2.355 180.126 177.584 0.313 0.000 1.159 48 A CA 1.478 53.579 52.037 0.107 0.000 0.656 48 A CB -0.899 17.959 19.000 -0.237 0.000 0.800 48 A HN 0.833 nan 8.150 nan 0.000 0.453 49 C N -3.085 116.347 119.300 0.219 0.000 2.576 49 C HA 0.520 4.980 4.460 -0.000 0.000 0.267 49 C C 1.961 177.123 174.990 0.288 0.000 1.364 49 C CA 0.257 59.409 59.018 0.223 0.000 1.723 49 C CB -0.869 26.904 27.740 0.055 0.000 1.778 49 C HN 1.509 nan 8.230 nan 0.000 0.572 50 G N 0.431 109.292 108.800 0.101 0.000 2.254 50 G HA2 0.067 4.027 3.960 -0.000 0.000 0.225 50 G HA3 0.067 4.027 3.960 -0.000 0.000 0.225 50 G C 0.431 175.121 174.900 -0.349 0.000 1.003 50 G CA 0.134 45.060 45.100 -0.289 0.000 0.622 50 G HN 1.511 nan 8.290 nan 0.000 0.507 51 A N 0.647 123.384 122.820 -0.139 0.000 2.448 51 A HA 0.760 5.080 4.320 -0.000 0.000 0.239 51 A C 1.073 178.624 177.584 -0.055 0.000 1.080 51 A CA 1.245 53.223 52.037 -0.097 0.000 0.779 51 A CB 0.219 19.157 19.000 -0.103 0.000 1.026 51 A HN 2.139 nan 8.150 nan 0.000 0.499 52 A N 0.750 123.534 122.820 -0.060 0.000 2.332 52 A HA 0.530 4.850 4.320 -0.000 0.000 0.258 52 A C 0.069 177.676 177.584 0.038 0.000 1.087 52 A CA -0.332 51.658 52.037 -0.077 0.000 0.802 52 A CB 0.146 19.093 19.000 -0.088 0.000 1.042 52 A HN 1.064 nan 8.150 nan 0.000 0.489 53 V N 2.019 121.882 119.914 -0.085 0.000 2.465 53 V HA 0.225 4.345 4.120 -0.000 0.000 0.279 53 V C 0.228 176.298 176.094 -0.040 0.000 1.045 53 V CA -0.192 62.041 62.300 -0.111 0.000 0.938 53 V CB 0.949 32.601 31.823 -0.285 0.000 0.986 53 V HN 0.956 nan 8.190 nan 0.000 0.467 54 E N 2.714 122.920 120.200 0.011 0.000 2.204 54 E HA 0.498 4.848 4.350 -0.000 0.000 0.276 54 E C -1.177 175.397 176.600 -0.044 0.000 0.974 54 E CA -0.511 55.879 56.400 -0.016 0.000 0.815 54 E CB 1.745 31.441 29.700 -0.005 0.000 1.119 54 E HN 0.638 nan 8.360 nan 0.000 0.393 55 C N 2.200 121.472 119.300 -0.047 0.000 2.435 55 C HA 0.583 5.043 4.460 -0.000 0.000 0.333 55 C C -0.286 174.665 174.990 -0.065 0.000 1.202 55 C CA -0.664 58.315 59.018 -0.064 0.000 1.830 55 C CB 0.979 28.697 27.740 -0.037 0.000 2.326 55 C HN 0.452 nan 8.230 nan 0.000 0.507 56 V N 4.052 123.893 119.914 -0.121 0.000 2.487 56 V HA 0.515 4.635 4.120 -0.000 0.000 0.298 56 V C -0.190 175.904 176.094 0.001 0.000 1.028 56 V CA -0.205 62.045 62.300 -0.082 0.000 0.860 56 V CB 1.378 33.094 31.823 -0.178 0.000 0.991 56 V HN 0.700 nan 8.190 nan 0.000 0.427 57 I N 2.297 122.941 120.570 0.123 0.000 2.607 57 I HA 0.401 4.571 4.170 -0.000 0.000 0.305 57 I C 0.721 176.996 176.117 0.263 0.000 0.995 57 I CA -0.438 60.976 61.300 0.191 0.000 1.148 57 I CB 2.051 40.110 38.000 0.099 0.000 1.323 57 I HN 0.629 nan 8.210 nan 0.000 0.461 58 S N 2.160 117.997 115.700 0.228 0.000 2.568 58 S HA -0.022 4.448 4.470 -0.000 0.000 0.282 58 S C 0.887 175.509 174.600 0.037 0.000 1.338 58 S CA -0.306 57.936 58.200 0.070 0.000 1.045 58 S CB 0.437 63.616 63.200 -0.036 0.000 0.873 58 S HN 0.560 nan 8.310 nan 0.000 0.516 59 D N 1.365 121.768 120.400 0.005 0.000 2.218 59 D HA 0.012 4.652 4.640 -0.000 0.000 0.204 59 D C 1.104 177.393 176.300 -0.018 0.000 0.976 59 D CA 1.412 55.412 54.000 -0.000 0.000 0.853 59 D CB -0.074 40.721 40.800 -0.009 0.000 0.939 59 D HN 0.753 nan 8.370 nan 0.000 0.481 60 T N -3.098 111.434 114.554 -0.038 0.000 2.812 60 T HA 0.442 4.792 4.350 -0.000 0.000 0.294 60 T C -0.125 174.536 174.700 -0.065 0.000 1.159 60 T CA -0.937 61.134 62.100 -0.049 0.000 1.008 60 T CB 1.492 70.327 68.868 -0.055 0.000 1.289 60 T HN -0.069 nan 8.240 nan 0.000 0.514 61 C N 0.931 120.184 119.300 -0.077 0.000 2.657 61 C HA 0.538 4.998 4.460 -0.000 0.000 0.404 61 C C 0.520 175.438 174.990 -0.120 0.000 1.291 61 C CA -0.562 58.394 59.018 -0.103 0.000 2.218 61 C CB -1.071 26.598 27.740 -0.118 0.000 2.687 61 C HN 0.698 nan 8.230 nan 0.000 0.634 62 I N 2.753 123.237 120.570 -0.144 0.000 2.330 62 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 62 I C 0.807 176.804 176.117 -0.201 0.000 1.001 62 I CA 0.356 61.565 61.300 -0.151 0.000 1.193 62 I CB 1.158 39.075 38.000 -0.138 0.000 1.345 62 I HN 0.829 nan 8.210 nan 0.000 0.461 63 A N 4.512 127.219 122.820 -0.188 0.000 2.419 63 A HA 0.748 5.068 4.320 -0.000 0.000 0.233 63 A C 0.722 178.197 177.584 -0.182 0.000 1.217 63 A CA 0.331 52.211 52.037 -0.262 0.000 0.944 63 A CB 0.356 19.206 19.000 -0.250 0.000 1.025 63 A HN 0.765 nan 8.150 nan 0.000 0.524 64 G N -2.085 106.658 108.800 -0.096 0.000 2.634 64 G HA2 0.402 4.362 3.960 -0.000 0.000 0.309 64 G HA3 0.402 4.362 3.960 -0.000 0.000 0.309 64 G C 0.448 175.330 174.900 -0.029 0.000 1.299 64 G CA -0.171 44.916 45.100 -0.023 0.000 0.798 64 G HN -0.085 nan 8.290 nan 0.000 0.490 65 M N 0.224 119.819 119.600 -0.009 0.000 2.175 65 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 65 M C 2.800 179.082 176.300 -0.030 0.000 1.063 65 M CA 1.847 57.136 55.300 -0.019 0.000 1.119 65 M CB -0.371 32.225 32.600 -0.008 0.000 1.377 65 M HN 0.622 nan 8.290 nan 0.000 0.415 66 A N 0.710 123.514 122.820 -0.026 0.000 1.865 66 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 66 A C 1.919 179.474 177.584 -0.049 0.000 1.191 66 A CA 1.908 53.926 52.037 -0.032 0.000 0.623 66 A CB -0.705 18.280 19.000 -0.024 0.000 0.826 66 A HN 0.514 nan 8.150 nan 0.000 0.444 67 E N -0.442 119.723 120.200 -0.059 0.000 2.106 67 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 67 E C 2.260 178.798 176.600 -0.103 0.000 0.984 67 E CA 0.792 57.144 56.400 -0.080 0.000 0.806 67 E CB -0.255 29.393 29.700 -0.086 0.000 0.750 67 E HN 0.615 nan 8.360 nan 0.000 0.458 68 A N 1.376 124.140 122.820 -0.094 0.000 1.902 68 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 68 A C 2.366 179.881 177.584 -0.115 0.000 1.181 68 A CA 1.635 53.608 52.037 -0.107 0.000 0.623 68 A CB -0.598 18.358 19.000 -0.072 0.000 0.818 68 A HN 0.296 nan 8.150 nan 0.000 0.443 69 A N -0.199 122.571 122.820 -0.083 0.000 1.930 69 A HA 0.208 4.528 4.320 -0.000 0.000 0.217 69 A C 2.489 180.020 177.584 -0.087 0.000 1.175 69 A CA 1.928 53.922 52.037 -0.071 0.000 0.627 69 A CB -0.946 18.027 19.000 -0.045 0.000 0.815 69 A HN 0.998 nan 8.150 nan 0.000 0.443 70 A N -0.929 121.835 122.820 -0.093 0.000 1.877 70 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 70 A C 2.422 179.917 177.584 -0.149 0.000 1.186 70 A CA 1.708 53.689 52.037 -0.093 0.000 0.620 70 A CB -1.476 17.476 19.000 -0.080 0.000 0.822 70 A HN 0.868 nan 8.150 nan 0.000 0.443 71 C N -0.534 118.627 119.300 -0.233 0.000 2.413 71 C HA -0.133 4.327 4.460 -0.000 0.000 0.276 71 C C 2.630 177.279 174.990 -0.568 0.000 1.248 71 C CA 1.898 60.642 59.018 -0.456 0.000 1.742 71 C CB -1.049 26.365 27.740 -0.543 0.000 2.017 71 C HN 0.692 nan 8.230 nan 0.000 0.481 72 E N 0.814 120.809 120.200 -0.342 0.000 2.110 72 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 72 E C 2.066 178.630 176.600 -0.060 0.000 0.988 72 E CA 1.909 58.200 56.400 -0.183 0.000 0.804 72 E CB -0.512 29.136 29.700 -0.086 0.000 0.745 72 E HN 0.812 nan 8.360 nan 0.000 0.458 73 E N 0.085 120.247 120.200 -0.063 0.000 2.047 73 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 73 E C 1.991 178.608 176.600 0.029 0.000 0.987 73 E CA 1.325 57.719 56.400 -0.009 0.000 0.799 73 E CB -0.099 29.588 29.700 -0.020 0.000 0.752 73 E HN 0.151 nan 8.360 nan 0.000 0.449 74 K N -0.442 119.964 120.400 0.011 0.000 2.026 74 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 74 K C 1.912 178.672 176.600 0.266 0.000 1.048 74 K CA 1.443 57.789 56.287 0.099 0.000 0.929 74 K CB -0.162 32.385 32.500 0.077 0.000 0.713 74 K HN 0.089 nan 8.250 nan 0.000 0.439 75 F N 1.541 121.500 119.950 0.015 0.000 2.102 75 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 75 F C 2.778 178.591 175.800 0.022 0.000 1.105 75 F CA 1.381 59.393 58.000 0.021 0.000 1.239 75 F CB -1.310 37.706 39.000 0.028 0.000 0.991 75 F HN 0.194 nan 8.300 nan 0.000 0.474 76 S N -0.356 115.479 115.700 0.225 0.000 2.419 76 S HA -0.158 4.312 4.470 -0.000 0.000 0.235 76 S C 1.848 176.502 174.600 0.090 0.000 1.019 76 S CA 1.236 59.513 58.200 0.130 0.000 0.982 76 S CB -0.984 62.272 63.200 0.093 0.000 0.789 76 S HN 0.397 nan 8.310 nan 0.000 0.490 77 S N -0.077 115.676 115.700 0.089 0.000 2.548 77 S HA 0.224 4.693 4.470 -0.000 0.000 0.215 77 S C 1.436 176.067 174.600 0.051 0.000 0.976 77 S CA -0.373 57.863 58.200 0.059 0.000 0.908 77 S CB -0.075 63.155 63.200 0.051 0.000 0.781 77 S HN 0.428 nan 8.310 nan 0.000 0.519 78 Q N 1.627 121.465 119.800 0.063 0.000 2.219 78 Q HA 0.252 4.592 4.340 -0.000 0.000 0.209 78 Q C -0.138 175.864 176.000 0.003 0.000 0.854 78 Q CA -0.132 55.689 55.803 0.031 0.000 0.960 78 Q CB -0.148 28.611 28.738 0.034 0.000 1.116 78 Q HN 0.777 nan 8.270 nan 0.000 0.500 79 N N 0.855 119.565 118.700 0.017 0.000 2.738 79 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 79 N C -0.253 175.246 175.510 -0.019 0.000 1.047 79 N CA 0.302 53.355 53.050 0.006 0.000 0.707 79 N CB -0.796 37.690 38.487 -0.003 0.000 0.937 79 N HN 0.131 nan 8.380 nan 0.000 0.545 80 V N -1.135 118.757 119.914 -0.038 0.000 2.530 80 V HA 0.646 4.766 4.120 -0.000 0.000 0.282 80 V C 1.319 177.395 176.094 -0.030 0.000 1.048 80 V CA 0.814 63.050 62.300 -0.106 0.000 0.997 80 V CB 1.510 33.138 31.823 -0.326 0.000 0.987 80 V HN 0.211 nan 8.190 nan 0.000 0.477 81 G N 5.514 114.295 108.800 -0.031 0.000 3.044 81 G HA2 0.438 4.398 3.960 -0.000 0.000 0.223 81 G HA3 0.438 4.398 3.960 -0.000 0.000 0.223 81 G C 0.060 174.964 174.900 0.006 0.000 1.123 81 G CA 0.524 45.626 45.100 0.003 0.000 0.765 81 G HN 1.047 nan 8.290 nan 0.000 0.546 82 L N -0.966 120.256 121.223 -0.002 0.000 2.612 82 L HA 0.716 5.056 4.340 -0.000 0.000 0.256 82 L C -0.850 176.079 176.870 0.098 0.000 0.949 82 L CA -1.239 53.636 54.840 0.059 0.000 0.867 82 L CB 0.592 42.635 42.059 -0.026 0.000 1.417 82 L HN 0.035 nan 8.230 nan 0.000 0.414 83 T N -0.598 114.078 114.554 0.204 0.000 2.907 83 T HA 0.903 5.253 4.350 -0.000 0.000 0.292 83 T C -0.390 174.428 174.700 0.196 0.000 1.043 83 T CA -0.568 61.648 62.100 0.192 0.000 1.003 83 T CB 2.106 71.125 68.868 0.252 0.000 1.084 83 T HN 0.616 nan 8.240 nan 0.000 0.483 84 I N 2.014 122.680 120.570 0.161 0.000 2.447 84 I HA 0.335 4.505 4.170 -0.000 0.000 0.287 84 I C -0.234 175.968 176.117 0.142 0.000 1.023 84 I CA -0.744 60.620 61.300 0.107 0.000 1.083 84 I CB 2.354 40.434 38.000 0.134 0.000 1.245 84 I HN 0.691 nan 8.210 nan 0.000 0.434 85 T N 6.079 120.711 114.554 0.130 0.000 2.767 85 T HA 0.532 4.882 4.350 -0.000 0.000 0.284 85 T C -0.185 174.593 174.700 0.129 0.000 0.973 85 T CA -0.506 61.675 62.100 0.136 0.000 0.996 85 T CB 1.418 70.387 68.868 0.169 0.000 0.927 85 T HN 0.413 nan 8.240 nan 0.000 0.456 86 V N 0.847 120.795 119.914 0.056 0.000 2.823 86 V HA 1.013 5.133 4.120 -0.000 0.000 0.312 86 V C -0.355 175.638 176.094 -0.168 0.000 1.072 86 V CA -0.589 61.689 62.300 -0.036 0.000 0.937 86 V CB 2.015 33.820 31.823 -0.030 0.000 1.013 86 V HN 0.867 nan 8.190 nan 0.000 0.430 87 T N 3.178 117.580 114.554 -0.254 0.000 2.977 87 T HA 0.611 4.961 4.350 -0.000 0.000 0.345 87 T C -2.895 171.663 174.700 -0.236 0.000 1.562 87 T CA -0.237 61.695 62.100 -0.279 0.000 1.090 87 T CB 2.558 71.197 68.868 -0.382 0.000 1.383 87 T HN 0.694 nan 8.240 nan 0.000 0.484 88 P HA 0.324 nan 4.420 nan 0.000 0.282 88 P C 0.246 177.519 177.300 -0.045 0.000 1.327 88 P CA 0.042 63.044 63.100 -0.163 0.000 0.949 88 P CB -0.342 31.119 31.700 -0.399 0.000 1.445 89 C N -3.734 115.526 119.300 -0.067 0.000 3.336 89 C HA 0.612 5.072 4.460 -0.000 0.000 0.352 89 C C -0.400 174.622 174.990 0.054 0.000 1.567 89 C CA -1.332 57.696 59.018 0.016 0.000 1.328 89 C CB 0.810 28.530 27.740 -0.032 0.000 1.922 89 C HN 0.288 nan 8.230 nan 0.000 0.439 90 W N 1.311 122.604 121.300 -0.012 0.000 2.238 90 W HA 0.547 5.207 4.660 -0.000 0.000 0.321 90 W C -0.918 175.571 176.519 -0.050 0.000 1.293 90 W CA 0.173 57.550 57.345 0.054 0.000 1.204 90 W CB 1.102 30.620 29.460 0.097 0.000 1.167 90 W HN 0.920 nan 8.180 nan 0.000 0.553 91 C N 4.941 123.593 119.300 -1.081 0.000 3.154 91 C HA 0.345 4.805 4.460 -0.000 0.000 0.312 91 C C -0.642 173.811 174.990 -0.894 0.000 1.349 91 C CA -0.738 57.664 59.018 -1.026 0.000 1.518 91 C CB 1.244 28.362 27.740 -1.037 0.000 1.934 91 C HN 0.502 nan 8.230 nan 0.000 0.462 92 Y N 2.131 122.157 120.300 -0.456 0.000 2.632 92 Y HA 0.343 4.893 4.550 -0.000 0.000 0.336 92 Y C 1.491 177.325 175.900 -0.110 0.000 1.237 92 Y CA -0.028 57.927 58.100 -0.242 0.000 1.595 92 Y CB -1.011 37.391 38.460 -0.097 0.000 1.508 92 Y HN 1.025 nan 8.280 nan 0.000 0.480 93 G N 2.130 110.934 108.800 0.007 0.000 3.903 93 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.260 93 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.260 93 G C 1.855 176.752 174.900 -0.005 0.000 0.882 93 G CA 2.260 47.344 45.100 -0.027 0.000 0.749 93 G HN 0.619 nan 8.290 nan 0.000 1.415 94 S N 0.211 115.900 115.700 -0.018 0.000 2.465 94 S HA -0.079 4.391 4.470 -0.000 0.000 0.241 94 S C 1.916 176.507 174.600 -0.015 0.000 1.000 94 S CA 2.014 60.190 58.200 -0.039 0.000 0.964 94 S CB -0.310 62.872 63.200 -0.031 0.000 0.763 94 S HN 0.736 nan 8.310 nan 0.000 0.512 95 E N 0.911 121.128 120.200 0.028 0.000 2.285 95 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 95 E C 1.895 178.499 176.600 0.008 0.000 0.997 95 E CA 1.302 57.721 56.400 0.032 0.000 0.845 95 E CB -0.084 29.669 29.700 0.089 0.000 0.782 95 E HN 0.923 nan 8.360 nan 0.000 0.491 96 T N -1.304 113.258 114.554 0.013 0.000 2.985 96 T HA 0.166 4.516 4.350 -0.000 0.000 0.254 96 T C 1.037 175.756 174.700 0.032 0.000 1.021 96 T CA -0.502 61.597 62.100 -0.001 0.000 0.957 96 T CB -0.438 68.412 68.868 -0.031 0.000 1.047 96 T HN 0.131 nan 8.240 nan 0.000 0.511 97 I N 0.360 120.939 120.570 0.017 0.000 2.882 97 I HA 0.470 4.640 4.170 -0.000 0.000 0.286 97 I C -0.171 175.953 176.117 0.010 0.000 1.139 97 I CA -0.670 60.632 61.300 0.004 0.000 1.379 97 I CB 0.383 38.236 38.000 -0.245 0.000 1.410 97 I HN -0.167 nan 8.210 nan 0.000 0.594 98 D N 5.324 125.787 120.400 0.105 0.000 2.339 98 D HA 0.156 4.796 4.640 -0.000 0.000 0.256 98 D C 0.501 176.862 176.300 0.101 0.000 1.214 98 D CA -0.295 53.777 54.000 0.120 0.000 0.877 98 D CB 1.023 41.937 40.800 0.191 0.000 1.111 98 D HN 0.507 nan 8.370 nan 0.000 0.478 99 M N 1.644 121.272 119.600 0.046 0.000 2.561 99 M HA 0.014 4.494 4.480 -0.000 0.000 0.238 99 M C 0.472 176.805 176.300 0.055 0.000 1.131 99 M CA 0.065 55.382 55.300 0.028 0.000 1.046 99 M CB -0.433 32.167 32.600 0.001 0.000 1.532 99 M HN 0.444 nan 8.290 nan 0.000 0.497 100 D N 3.517 123.964 120.400 0.078 0.000 2.472 100 D HA -0.019 4.620 4.640 -0.000 0.000 0.248 100 D C -1.554 174.787 176.300 0.068 0.000 1.174 100 D CA -0.896 53.149 54.000 0.075 0.000 0.883 100 D CB 1.765 42.623 40.800 0.097 0.000 1.149 100 D HN 0.115 nan 8.370 nan 0.000 0.488 101 P HA -0.083 nan 4.420 nan 0.000 0.229 101 P C 1.100 178.393 177.300 -0.011 0.000 1.160 101 P CA 0.844 63.957 63.100 0.021 0.000 0.777 101 P CB 0.258 31.965 31.700 0.012 0.000 0.814 102 T N -2.840 111.710 114.554 -0.007 0.000 3.034 102 T HA 0.069 4.419 4.350 -0.000 0.000 0.248 102 T C 1.150 175.838 174.700 -0.020 0.000 1.040 102 T CA -0.367 61.694 62.100 -0.065 0.000 1.107 102 T CB -0.554 68.266 68.868 -0.080 0.000 0.932 102 T HN 0.171 nan 8.240 nan 0.000 0.474 103 R N 2.317 122.845 120.500 0.047 0.000 2.543 103 R HA 0.430 4.770 4.340 -0.000 0.000 0.277 103 R C -3.019 173.338 176.300 0.094 0.000 1.074 103 R CA -1.530 54.614 56.100 0.072 0.000 1.076 103 R CB -0.713 29.645 30.300 0.098 0.000 0.993 103 R HN 0.067 nan 8.270 nan 0.000 0.459 104 P HA 0.056 nan 4.420 nan 0.000 0.268 104 P C -1.201 176.319 177.300 0.367 0.000 1.204 104 P CA 0.028 63.245 63.100 0.195 0.000 0.768 104 P CB 0.685 32.383 31.700 -0.003 0.000 0.842 105 K N 1.671 122.297 120.400 0.377 0.000 2.469 105 K HA 0.865 5.185 4.320 -0.000 0.000 0.254 105 K C -1.141 175.371 176.600 -0.147 0.000 0.939 105 K CA -0.889 55.507 56.287 0.181 0.000 0.812 105 K CB 2.705 35.250 32.500 0.075 0.000 1.301 105 K HN 0.358 nan 8.250 nan 0.000 0.433 106 A N 2.377 124.918 122.820 -0.465 0.000 2.515 106 A HA 0.831 5.151 4.320 -0.000 0.000 0.296 106 A C -1.287 176.174 177.584 -0.205 0.000 1.094 106 A CA -0.799 50.876 52.037 -0.603 0.000 0.718 106 A CB 0.999 19.144 19.000 -1.424 0.000 1.307 106 A HN 0.671 nan 8.150 nan 0.000 0.408 107 I N 0.602 121.136 120.570 -0.060 0.000 2.499 107 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 107 I C -1.509 174.746 176.117 0.230 0.000 1.048 107 I CA -0.200 61.162 61.300 0.102 0.000 1.062 107 I CB 2.005 40.069 38.000 0.108 0.000 1.238 107 I HN 0.780 nan 8.210 nan 0.000 0.426 108 W N 6.710 128.055 121.300 0.075 0.000 2.411 108 W HA 0.727 5.387 4.660 -0.000 0.000 0.317 108 W C -0.480 176.140 176.519 0.169 0.000 1.030 108 W CA -1.517 55.894 57.345 0.111 0.000 1.239 108 W CB 1.608 31.120 29.460 0.086 0.000 1.304 108 W HN 0.469 nan 8.180 nan 0.000 0.437 109 G N 5.489 114.402 108.800 0.188 0.000 2.370 109 G HA2 0.378 4.338 3.960 -0.000 0.000 0.317 109 G HA3 0.378 4.338 3.960 -0.000 0.000 0.317 109 G C -1.413 173.514 174.900 0.046 0.000 1.162 109 G CA -0.819 44.322 45.100 0.068 0.000 0.922 109 G HN 0.508 nan 8.290 nan 0.000 0.454 110 F N 3.133 122.900 119.950 -0.305 0.000 2.608 110 F HA 0.113 4.640 4.527 -0.000 0.000 0.380 110 F C 0.769 176.628 175.800 0.100 0.000 1.083 110 F CA -0.378 57.521 58.000 -0.169 0.000 1.266 110 F CB 0.876 39.736 39.000 -0.232 0.000 1.076 110 F HN 0.418 nan 8.300 nan 0.000 0.574 111 N N 4.609 123.109 118.700 -0.332 0.000 2.868 111 N HA 0.318 5.057 4.740 -0.000 0.000 0.252 111 N C -0.383 174.949 175.510 -0.297 0.000 1.130 111 N CA 0.110 53.077 53.050 -0.139 0.000 1.026 111 N CB 0.091 38.445 38.487 -0.221 0.000 1.335 111 N HN 0.798 nan 8.380 nan 0.000 0.516 112 G N -0.175 108.632 108.800 0.012 0.000 2.730 112 G HA2 0.358 4.318 3.960 -0.000 0.000 0.289 112 G HA3 0.358 4.318 3.960 -0.000 0.000 0.289 112 G C 0.673 175.675 174.900 0.171 0.000 1.341 112 G CA -0.348 44.843 45.100 0.151 0.000 0.932 112 G HN 0.313 nan 8.290 nan 0.000 0.481 113 T N -2.121 112.520 114.554 0.145 0.000 3.004 113 T HA 0.061 4.411 4.350 -0.000 0.000 0.243 113 T C 1.662 176.425 174.700 0.105 0.000 1.020 113 T CA 1.267 63.433 62.100 0.110 0.000 1.145 113 T CB -0.118 68.798 68.868 0.080 0.000 0.876 113 T HN 0.378 nan 8.240 nan 0.000 0.449 114 E N 1.161 121.423 120.200 0.104 0.000 2.208 114 E HA 0.076 4.426 4.350 -0.000 0.000 0.193 114 E C 0.767 177.422 176.600 0.090 0.000 0.988 114 E CA 0.568 57.016 56.400 0.079 0.000 0.828 114 E CB 0.024 29.762 29.700 0.062 0.000 0.763 114 E HN 0.188 nan 8.360 nan 0.000 0.478 115 R N 1.772 122.356 120.500 0.139 0.000 2.937 115 R HA 0.159 4.499 4.340 -0.000 0.000 0.264 115 R C -2.241 174.190 176.300 0.219 0.000 1.334 115 R CA -2.119 54.076 56.100 0.158 0.000 1.516 115 R CB 0.033 30.444 30.300 0.185 0.000 1.187 115 R HN 0.098 nan 8.270 nan 0.000 0.609 116 P HA 0.051 nan 4.420 nan 0.000 0.228 116 P C 0.896 178.333 177.300 0.228 0.000 1.748 116 P CA 0.116 63.331 63.100 0.191 0.000 0.909 116 P CB 0.015 31.817 31.700 0.169 0.000 1.882 117 G N 1.392 110.327 108.800 0.225 0.000 2.443 117 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 117 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 117 G C 1.541 176.574 174.900 0.223 0.000 1.131 117 G CA 0.673 45.894 45.100 0.202 0.000 0.775 117 G HN 0.407 nan 8.290 nan 0.000 0.547 118 A N 0.259 123.193 122.820 0.190 0.000 1.969 118 A HA 0.131 4.451 4.320 -0.000 0.000 0.218 118 A C 2.534 180.137 177.584 0.032 0.000 1.169 118 A CA 1.571 53.630 52.037 0.036 0.000 0.635 118 A CB -0.367 18.579 19.000 -0.090 0.000 0.810 118 A HN 0.243 nan 8.150 nan 0.000 0.445 119 V N -1.323 118.682 119.914 0.153 0.000 2.427 119 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 119 V C 2.343 178.674 176.094 0.394 0.000 1.051 119 V CA 2.004 64.437 62.300 0.222 0.000 1.048 119 V CB -1.123 30.845 31.823 0.241 0.000 0.666 119 V HN 0.743 nan 8.190 nan 0.000 0.456 120 Y N 0.276 120.753 120.300 0.294 0.000 2.200 120 Y HA -0.142 4.408 4.550 -0.000 0.000 0.290 120 Y C 2.316 178.250 175.900 0.057 0.000 1.137 120 Y CA 1.393 59.561 58.100 0.114 0.000 1.163 120 Y CB -0.204 38.206 38.460 -0.084 0.000 0.988 120 Y HN 0.107 nan 8.280 nan 0.000 0.518 121 L N 0.095 121.329 121.223 0.017 0.000 1.997 121 L HA -0.323 4.017 4.340 -0.000 0.000 0.216 121 L C 2.560 179.347 176.870 -0.138 0.000 1.074 121 L CA 2.085 56.881 54.840 -0.072 0.000 0.763 121 L CB -0.988 41.083 42.059 0.021 0.000 0.890 121 L HN 0.469 nan 8.230 nan 0.000 0.434 122 A N -0.619 122.153 122.820 -0.081 0.000 1.877 122 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 122 A C 2.416 179.973 177.584 -0.044 0.000 1.186 122 A CA 1.844 53.846 52.037 -0.057 0.000 0.620 122 A CB -0.810 18.165 19.000 -0.042 0.000 0.822 122 A HN 0.592 nan 8.150 nan 0.000 0.443 123 A N -0.118 122.689 122.820 -0.022 0.000 1.877 123 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 123 A C 2.541 180.034 177.584 -0.151 0.000 1.186 123 A CA 2.274 54.309 52.037 -0.002 0.000 0.620 123 A CB -1.136 17.973 19.000 0.182 0.000 0.822 123 A HN 1.106 nan 8.150 nan 0.000 0.443 124 A N -0.396 122.181 122.820 -0.405 0.000 1.902 124 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 124 A C 2.180 179.742 177.584 -0.036 0.000 1.181 124 A CA 1.523 53.333 52.037 -0.377 0.000 0.623 124 A CB -0.603 17.949 19.000 -0.747 0.000 0.818 124 A HN 0.479 nan 8.150 nan 0.000 0.443 125 L N -0.923 120.283 121.223 -0.027 0.000 2.093 125 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 125 L C 3.096 180.005 176.870 0.065 0.000 1.085 125 L CA 0.940 55.814 54.840 0.056 0.000 0.755 125 L CB -0.568 41.484 42.059 -0.012 0.000 0.904 125 L HN 0.442 nan 8.230 nan 0.000 0.435 126 A N 0.188 123.018 122.820 0.016 0.000 1.902 126 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 126 A C 2.538 180.136 177.584 0.023 0.000 1.181 126 A CA 1.797 53.848 52.037 0.022 0.000 0.623 126 A CB -0.667 18.341 19.000 0.013 0.000 0.818 126 A HN 0.403 nan 8.150 nan 0.000 0.443 127 A N -1.311 121.502 122.820 -0.011 0.000 1.902 127 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 127 A C 2.075 179.631 177.584 -0.048 0.000 1.181 127 A CA 1.552 53.559 52.037 -0.050 0.000 0.623 127 A CB -0.939 17.993 19.000 -0.114 0.000 0.818 127 A HN 0.664 nan 8.150 nan 0.000 0.443 128 H N -0.022 119.032 119.070 -0.027 0.000 2.319 128 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 128 H C 2.531 177.862 175.328 0.005 0.000 1.092 128 H CA 1.885 57.923 56.048 -0.017 0.000 1.302 128 H CB -0.194 29.549 29.762 -0.032 0.000 1.373 128 H HN 0.492 nan 8.280 nan 0.000 0.497 129 S N 0.330 116.122 115.700 0.153 0.000 2.383 129 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 129 S C 2.105 176.770 174.600 0.108 0.000 1.026 129 S CA 0.924 59.204 58.200 0.134 0.000 0.981 129 S CB -0.094 63.176 63.200 0.116 0.000 0.818 129 S HN 0.468 nan 8.310 nan 0.000 0.472 130 Q N 0.967 120.806 119.800 0.065 0.000 2.224 130 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 130 Q C 1.101 177.126 176.000 0.041 0.000 0.970 130 Q CA 1.028 56.855 55.803 0.041 0.000 0.865 130 Q CB 0.071 28.820 28.738 0.018 0.000 0.922 130 Q HN 0.382 nan 8.270 nan 0.000 0.445 131 K N -1.089 119.335 120.400 0.041 0.000 2.372 131 K HA 0.183 4.503 4.320 -0.000 0.000 0.200 131 K C 0.457 177.097 176.600 0.067 0.000 1.022 131 K CA 0.420 56.727 56.287 0.033 0.000 1.125 131 K CB 0.852 33.347 32.500 -0.008 0.000 0.855 131 K HN 0.326 nan 8.250 nan 0.000 0.524 132 G N 2.842 111.713 108.800 0.117 0.000 2.198 132 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 132 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 132 G C 0.129 175.081 174.900 0.087 0.000 1.025 132 G CA 0.428 45.636 45.100 0.180 0.000 0.769 132 G HN 0.483 nan 8.290 nan 0.000 0.507 133 I N -2.666 117.939 120.570 0.059 0.000 2.698 133 I HA 0.429 4.599 4.170 -0.000 0.000 0.276 133 I C -2.593 173.554 176.117 0.051 0.000 1.166 133 I CA -2.774 58.552 61.300 0.042 0.000 1.101 133 I CB 1.548 39.622 38.000 0.122 0.000 1.305 133 I HN -0.207 nan 8.210 nan 0.000 0.526 134 P HA 0.199 nan 4.420 nan 0.000 0.265 134 P C -0.303 176.862 177.300 -0.226 0.000 1.187 134 P CA 0.309 63.295 63.100 -0.190 0.000 0.766 134 P CB 0.933 32.459 31.700 -0.290 0.000 0.820 135 A N 2.606 125.222 122.820 -0.339 0.000 2.498 135 A HA 0.705 5.025 4.320 -0.000 0.000 0.298 135 A C -1.132 176.256 177.584 -0.325 0.000 1.075 135 A CA -0.520 51.290 52.037 -0.378 0.000 0.714 135 A CB 0.751 19.235 19.000 -0.858 0.000 1.299 135 A HN 0.299 nan 8.150 nan 0.000 0.407 136 F N 0.797 120.543 119.950 -0.340 0.000 2.382 136 F HA 0.579 5.106 4.527 -0.000 0.000 0.331 136 F C 1.227 176.901 175.800 -0.210 0.000 1.121 136 F CA 0.257 58.056 58.000 -0.336 0.000 1.183 136 F CB 1.739 40.477 39.000 -0.437 0.000 1.207 136 F HN 0.447 nan 8.300 nan 0.000 0.555 137 S N 2.702 118.468 115.700 0.110 0.000 2.454 137 S HA 0.716 5.186 4.470 -0.000 0.000 0.306 137 S C -0.820 173.964 174.600 0.306 0.000 1.100 137 S CA -0.575 57.723 58.200 0.162 0.000 1.087 137 S CB 0.233 63.505 63.200 0.120 0.000 1.019 137 S HN 0.469 nan 8.310 nan 0.000 0.480 138 I N 5.474 126.210 120.570 0.276 0.000 2.466 138 I HA 0.325 4.494 4.170 -0.000 0.000 0.279 138 I C -1.506 174.851 176.117 0.400 0.000 1.033 138 I CA -0.659 60.796 61.300 0.258 0.000 1.123 138 I CB 1.160 39.247 38.000 0.145 0.000 1.237 138 I HN 0.607 nan 8.210 nan 0.000 0.460 139 Y N 5.304 125.690 120.300 0.143 0.000 2.338 139 Y HA 0.703 5.253 4.550 -0.000 0.000 0.333 139 Y C 0.293 176.221 175.900 0.046 0.000 0.968 139 Y CA -1.136 57.045 58.100 0.134 0.000 1.123 139 Y CB 1.898 40.399 38.460 0.068 0.000 1.165 139 Y HN 0.523 nan 8.280 nan 0.000 0.452 140 G N 3.448 112.098 108.800 -0.250 0.000 2.503 140 G HA2 0.112 4.072 3.960 -0.000 0.000 0.257 140 G HA3 0.112 4.072 3.960 -0.000 0.000 0.257 140 G C 0.064 174.628 174.900 -0.559 0.000 1.214 140 G CA -0.113 44.811 45.100 -0.293 0.000 0.839 140 G HN 0.947 nan 8.290 nan 0.000 0.559 141 H N -0.274 118.604 119.070 -0.320 0.000 2.333 141 H HA 0.023 4.579 4.556 -0.000 0.000 0.302 141 H C 0.343 175.535 175.328 -0.227 0.000 1.075 141 H CA 1.541 57.436 56.048 -0.255 0.000 1.348 141 H CB 0.344 30.024 29.762 -0.137 0.000 1.393 141 H HN 0.388 nan 8.280 nan 0.000 0.509 142 D N 0.235 120.602 120.400 -0.054 0.000 2.163 142 D HA 0.167 4.807 4.640 -0.000 0.000 0.248 142 D C -0.225 176.004 176.300 -0.119 0.000 1.035 142 D CA -0.435 53.526 54.000 -0.066 0.000 0.872 142 D CB 2.393 43.171 40.800 -0.036 0.000 1.183 142 D HN -0.126 nan 8.370 nan 0.000 0.445 143 V N 2.133 121.996 119.914 -0.085 0.000 2.655 143 V HA -0.013 4.107 4.120 -0.000 0.000 0.300 143 V C 0.607 176.644 176.094 -0.095 0.000 1.044 143 V CA 0.234 62.480 62.300 -0.090 0.000 1.095 143 V CB 0.410 32.219 31.823 -0.023 0.000 0.952 143 V HN 0.366 nan 8.190 nan 0.000 0.485 144 Q N 2.299 121.996 119.800 -0.172 0.000 2.301 144 Q HA 0.377 4.717 4.340 -0.000 0.000 0.267 144 Q C -1.013 175.039 176.000 0.087 0.000 1.035 144 Q CA -0.976 54.774 55.803 -0.089 0.000 0.856 144 Q CB 1.828 30.435 28.738 -0.218 0.000 1.337 144 Q HN 0.657 nan 8.270 nan 0.000 0.450 145 D N 0.502 120.993 120.400 0.152 0.000 2.339 145 D HA 0.085 4.725 4.640 -0.000 0.000 0.245 145 D C 0.625 177.093 176.300 0.279 0.000 1.115 145 D CA 0.071 54.174 54.000 0.172 0.000 0.917 145 D CB 1.296 42.163 40.800 0.110 0.000 1.192 145 D HN 0.719 nan 8.370 nan 0.000 0.428 146 A N 1.988 124.925 122.820 0.195 0.000 1.978 146 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 146 A C 1.426 179.018 177.584 0.014 0.000 1.170 146 A CA 2.092 54.190 52.037 0.102 0.000 0.636 146 A CB -0.499 18.525 19.000 0.040 0.000 0.810 146 A HN 0.716 nan 8.150 nan 0.000 0.448 147 D N -1.274 119.159 120.400 0.054 0.000 2.349 147 D HA 0.043 4.683 4.640 -0.000 0.000 0.215 147 D C 0.307 176.642 176.300 0.059 0.000 1.016 147 D CA 0.088 54.104 54.000 0.028 0.000 0.870 147 D CB -0.085 40.731 40.800 0.027 0.000 0.917 147 D HN 0.214 nan 8.370 nan 0.000 0.524 148 D N 0.534 121.013 120.400 0.132 0.000 2.383 148 D HA 0.036 4.676 4.640 -0.000 0.000 0.252 148 D C 0.862 177.271 176.300 0.181 0.000 1.166 148 D CA 0.288 54.385 54.000 0.162 0.000 0.879 148 D CB 1.304 42.229 40.800 0.208 0.000 1.164 148 D HN 0.187 nan 8.370 nan 0.000 0.462 149 T N -0.838 113.794 114.554 0.132 0.000 3.044 149 T HA 0.148 4.498 4.350 -0.000 0.000 0.260 149 T C 0.778 175.576 174.700 0.164 0.000 1.019 149 T CA -0.444 61.734 62.100 0.130 0.000 0.921 149 T CB -0.190 68.718 68.868 0.067 0.000 1.053 149 T HN 0.275 nan 8.240 nan 0.000 0.533 150 S N 1.334 117.128 115.700 0.158 0.000 2.617 150 S HA 0.624 5.094 4.470 -0.000 0.000 0.269 150 S C -0.112 174.593 174.600 0.176 0.000 1.292 150 S CA -0.909 57.369 58.200 0.131 0.000 1.010 150 S CB 0.437 63.687 63.200 0.083 0.000 0.944 150 S HN 0.384 nan 8.310 nan 0.000 0.536 151 I N 2.442 123.079 120.570 0.112 0.000 2.307 151 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 151 I C -2.229 173.879 176.117 -0.014 0.000 1.021 151 I CA -2.334 59.002 61.300 0.060 0.000 1.224 151 I CB 1.123 39.095 38.000 -0.046 0.000 1.376 151 I HN 0.468 nan 8.210 nan 0.000 0.470 152 P HA 0.040 nan 4.420 nan 0.000 0.269 152 P C 0.584 177.832 177.300 -0.086 0.000 1.217 152 P CA -0.096 62.978 63.100 -0.044 0.000 0.783 152 P CB 0.818 32.493 31.700 -0.042 0.000 0.898 153 A N 2.366 125.142 122.820 -0.074 0.000 1.908 153 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 153 A C 1.790 179.311 177.584 -0.105 0.000 1.181 153 A CA 2.076 54.063 52.037 -0.084 0.000 0.627 153 A CB -1.277 17.681 19.000 -0.069 0.000 0.818 153 A HN 0.716 nan 8.150 nan 0.000 0.445 154 D N 0.035 120.377 120.400 -0.096 0.000 2.144 154 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 154 D C 1.787 178.003 176.300 -0.140 0.000 0.984 154 D CA 1.627 55.574 54.000 -0.089 0.000 0.834 154 D CB -0.953 39.841 40.800 -0.010 0.000 0.955 154 D HN 0.252 nan 8.370 nan 0.000 0.465 155 V N 1.053 120.858 119.914 -0.182 0.000 2.358 155 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 155 V C 2.686 178.566 176.094 -0.355 0.000 1.047 155 V CA 1.905 64.010 62.300 -0.326 0.000 1.035 155 V CB -0.688 30.861 31.823 -0.457 0.000 0.658 155 V HN 0.274 nan 8.190 nan 0.000 0.452 156 E N 0.305 120.344 120.200 -0.269 0.000 2.077 156 E HA -0.302 4.048 4.350 -0.000 0.000 0.193 156 E C 2.259 178.753 176.600 -0.177 0.000 0.989 156 E CA 1.724 57.993 56.400 -0.218 0.000 0.800 156 E CB -0.126 29.484 29.700 -0.150 0.000 0.746 156 E HN 0.720 nan 8.360 nan 0.000 0.452 157 E N 0.491 120.594 120.200 -0.162 0.000 2.058 157 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 157 E C 2.003 178.490 176.600 -0.187 0.000 0.997 157 E CA 1.323 57.634 56.400 -0.148 0.000 0.801 157 E CB 0.085 29.704 29.700 -0.135 0.000 0.746 157 E HN 0.152 nan 8.360 nan 0.000 0.450 158 K N 0.136 120.380 120.400 -0.259 0.000 2.097 158 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 158 K C 2.299 178.827 176.600 -0.121 0.000 1.050 158 K CA 1.035 57.114 56.287 -0.347 0.000 0.938 158 K CB -0.076 32.155 32.500 -0.449 0.000 0.718 158 K HN 0.191 nan 8.250 nan 0.000 0.442 159 L N 0.796 121.937 121.223 -0.137 0.000 2.046 159 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 159 L C 2.267 179.140 176.870 0.004 0.000 1.077 159 L CA 1.137 55.947 54.840 -0.050 0.000 0.747 159 L CB -0.336 41.630 42.059 -0.154 0.000 0.896 159 L HN 0.185 nan 8.230 nan 0.000 0.432 160 L N -0.758 120.426 121.223 -0.064 0.000 2.056 160 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 160 L C 2.777 179.606 176.870 -0.068 0.000 1.078 160 L CA 1.101 55.900 54.840 -0.068 0.000 0.749 160 L CB -0.477 41.534 42.059 -0.080 0.000 0.901 160 L HN 0.239 nan 8.230 nan 0.000 0.433 161 R N -0.086 120.384 120.500 -0.050 0.000 2.096 161 R HA -0.224 4.116 4.340 -0.000 0.000 0.235 161 R C 2.369 178.642 176.300 -0.045 0.000 1.127 161 R CA 1.585 57.665 56.100 -0.034 0.000 0.968 161 R CB -0.349 29.951 30.300 0.001 0.000 0.861 161 R HN 0.226 nan 8.270 nan 0.000 0.440 162 F N 0.919 120.806 119.950 -0.106 0.000 2.075 162 F HA -0.066 4.461 4.527 -0.000 0.000 0.297 162 F C 2.068 177.715 175.800 -0.256 0.000 1.113 162 F CA 1.589 59.426 58.000 -0.271 0.000 1.218 162 F CB -0.716 38.135 39.000 -0.248 0.000 0.984 162 F HN 0.097 nan 8.300 nan 0.000 0.472 163 A N 0.738 123.347 122.820 -0.353 0.000 1.902 163 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 163 A C 2.439 179.798 177.584 -0.374 0.000 1.181 163 A CA 1.784 53.587 52.037 -0.391 0.000 0.623 163 A CB -0.962 17.955 19.000 -0.140 0.000 0.818 163 A HN 0.494 nan 8.150 nan 0.000 0.443 164 R N -0.548 119.787 120.500 -0.274 0.000 2.083 164 R HA -0.139 4.200 4.340 -0.000 0.000 0.237 164 R C 2.343 178.480 176.300 -0.272 0.000 1.137 164 R CA 1.534 57.495 56.100 -0.233 0.000 0.951 164 R CB -0.382 29.817 30.300 -0.169 0.000 0.851 164 R HN 0.472 nan 8.270 nan 0.000 0.434 165 A N -0.057 122.569 122.820 -0.323 0.000 1.898 165 A HA -0.027 4.292 4.320 -0.000 0.000 0.216 165 A C 2.330 179.695 177.584 -0.365 0.000 1.181 165 A CA 1.527 53.372 52.037 -0.320 0.000 0.620 165 A CB -1.089 17.725 19.000 -0.310 0.000 0.819 165 A HN 0.569 nan 8.150 nan 0.000 0.442 166 G N -0.220 108.236 108.800 -0.573 0.000 2.442 166 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.219 166 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.219 166 G C 1.559 176.276 174.900 -0.305 0.000 1.141 166 G CA 1.043 45.817 45.100 -0.544 0.000 0.763 166 G HN 0.420 nan 8.290 nan 0.000 0.554 167 L N 0.415 121.469 121.223 -0.282 0.000 2.093 167 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 167 L C 3.413 180.212 176.870 -0.119 0.000 1.085 167 L CA 0.887 55.618 54.840 -0.182 0.000 0.755 167 L CB -0.337 41.593 42.059 -0.215 0.000 0.904 167 L HN 0.324 nan 8.230 nan 0.000 0.435 168 A N -0.346 122.389 122.820 -0.143 0.000 1.883 168 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 168 A C 2.293 179.846 177.584 -0.051 0.000 1.186 168 A CA 1.932 53.910 52.037 -0.098 0.000 0.624 168 A CB -0.854 18.066 19.000 -0.134 0.000 0.822 168 A HN 0.205 nan 8.150 nan 0.000 0.444 169 V N -0.188 119.687 119.914 -0.064 0.000 2.261 169 V HA -0.262 3.857 4.120 -0.000 0.000 0.246 169 V C 3.052 179.166 176.094 0.034 0.000 1.047 169 V CA 2.080 64.381 62.300 0.001 0.000 1.015 169 V CB -1.266 30.549 31.823 -0.013 0.000 0.642 169 V HN 0.621 nan 8.190 nan 0.000 0.446 170 A N -0.664 122.156 122.820 -0.000 0.000 2.019 170 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 170 A C 2.419 180.016 177.584 0.021 0.000 1.164 170 A CA 2.054 54.103 52.037 0.019 0.000 0.644 170 A CB -0.505 18.492 19.000 -0.005 0.000 0.805 170 A HN 0.520 nan 8.150 nan 0.000 0.449 171 S N -0.571 115.139 115.700 0.016 0.000 2.414 171 S HA -0.012 4.458 4.470 -0.000 0.000 0.227 171 S C 1.880 176.497 174.600 0.028 0.000 1.022 171 S CA 1.363 59.578 58.200 0.026 0.000 0.958 171 S CB -0.275 62.945 63.200 0.034 0.000 0.797 171 S HN 0.612 nan 8.310 nan 0.000 0.493 172 M N 1.000 120.620 119.600 0.034 0.000 2.288 172 M HA 0.058 4.538 4.480 -0.000 0.000 0.266 172 M C 0.947 177.250 176.300 0.006 0.000 1.072 172 M CA 0.626 55.952 55.300 0.043 0.000 1.132 172 M CB -0.288 32.349 32.600 0.062 0.000 1.386 172 M HN 0.025 nan 8.290 nan 0.000 0.432 173 K N 1.414 121.803 120.400 -0.017 0.000 2.437 173 K HA 0.004 4.324 4.320 -0.000 0.000 0.277 173 K C 0.841 177.392 176.600 -0.081 0.000 1.073 173 K CA 0.992 57.219 56.287 -0.100 0.000 1.105 173 K CB -0.072 32.395 32.500 -0.055 0.000 0.881 173 K HN 0.491 nan 8.250 nan 0.000 0.475 174 G N 3.212 111.945 108.800 -0.112 0.000 2.217 174 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.246 174 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.246 174 G C -0.094 174.790 174.900 -0.026 0.000 0.990 174 G CA -0.020 45.041 45.100 -0.065 0.000 0.627 174 G HN 0.543 nan 8.290 nan 0.000 0.522 175 K N 0.902 121.297 120.400 -0.009 0.000 2.102 175 K HA 0.704 5.024 4.320 -0.000 0.000 0.244 175 K C 0.371 176.983 176.600 0.020 0.000 1.021 175 K CA -0.136 56.161 56.287 0.016 0.000 0.913 175 K CB 0.999 33.521 32.500 0.037 0.000 1.062 175 K HN 0.217 nan 8.250 nan 0.000 0.485 176 S N 0.039 115.750 115.700 0.020 0.000 2.638 176 S HA 0.360 4.830 4.470 -0.000 0.000 0.298 176 S C -1.072 173.517 174.600 -0.019 0.000 1.111 176 S CA -0.663 57.531 58.200 -0.010 0.000 1.027 176 S CB 0.790 63.980 63.200 -0.017 0.000 1.064 176 S HN 0.501 nan 8.310 nan 0.000 0.525 177 Y N 2.029 122.181 120.300 -0.247 0.000 2.328 177 Y HA 0.615 5.165 4.550 -0.000 0.000 0.337 177 Y C -1.087 174.640 175.900 -0.288 0.000 0.966 177 Y CA -1.169 56.739 58.100 -0.320 0.000 1.136 177 Y CB 0.757 38.752 38.460 -0.775 0.000 1.170 177 Y HN 0.509 nan 8.280 nan 0.000 0.470 178 L N 6.449 127.191 121.223 -0.802 0.000 2.255 178 L HA 0.434 4.774 4.340 -0.000 0.000 0.289 178 L C -0.342 176.106 176.870 -0.705 0.000 1.046 178 L CA 0.167 54.652 54.840 -0.591 0.000 0.816 178 L CB 0.919 42.762 42.059 -0.361 0.000 1.197 178 L HN 0.663 nan 8.230 nan 0.000 0.427 179 S N 6.388 121.861 115.700 -0.378 0.000 2.473 179 S HA 0.334 4.804 4.470 -0.000 0.000 0.312 179 S C -0.202 174.334 174.600 -0.107 0.000 1.087 179 S CA -0.598 57.528 58.200 -0.124 0.000 1.077 179 S CB -0.299 62.940 63.200 0.066 0.000 1.065 179 S HN 0.684 nan 8.310 nan 0.000 0.510 180 L N 6.258 127.430 121.223 -0.085 0.000 2.302 180 L HA 0.560 4.900 4.340 -0.000 0.000 0.285 180 L C 0.789 177.661 176.870 0.002 0.000 1.090 180 L CA 0.435 55.265 54.840 -0.016 0.000 0.866 180 L CB -0.481 41.610 42.059 0.053 0.000 1.244 180 L HN 1.023 nan 8.230 nan 0.000 0.435 181 G N 2.495 111.298 108.800 0.005 0.000 2.549 181 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.404 181 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.404 181 G C -0.202 174.710 174.900 0.020 0.000 1.292 181 G CA -0.426 44.674 45.100 0.001 0.000 0.935 181 G HN 0.821 nan 8.290 nan 0.000 0.512 182 G N -1.636 107.178 108.800 0.024 0.000 3.414 182 G HA2 0.680 4.640 3.960 -0.000 0.000 0.196 182 G HA3 0.680 4.640 3.960 -0.000 0.000 0.196 182 G C -0.013 174.904 174.900 0.030 0.000 1.486 182 G CA 0.440 45.569 45.100 0.049 0.000 0.811 182 G HN 1.546 nan 8.290 nan 0.000 0.704 183 V N 1.123 121.057 119.914 0.034 0.000 2.530 183 V HA 0.495 4.615 4.120 -0.000 0.000 0.282 183 V C 0.274 176.348 176.094 -0.033 0.000 1.048 183 V CA -0.298 62.014 62.300 0.019 0.000 0.997 183 V CB 1.224 33.068 31.823 0.036 0.000 0.987 183 V HN 0.442 nan 8.190 nan 0.000 0.477 184 S N 5.778 121.455 115.700 -0.039 0.000 2.448 184 S HA 0.521 4.991 4.470 -0.000 0.000 0.320 184 S C 0.303 174.879 174.600 -0.041 0.000 1.071 184 S CA -0.577 57.574 58.200 -0.081 0.000 1.113 184 S CB -0.205 62.950 63.200 -0.075 0.000 0.972 184 S HN 0.735 nan 8.310 nan 0.000 0.465 185 M N 3.819 123.386 119.600 -0.054 0.000 2.169 185 M HA -0.221 4.259 4.480 -0.000 0.000 0.196 185 M C 1.020 177.319 176.300 -0.002 0.000 0.355 185 M CA 0.914 56.204 55.300 -0.017 0.000 0.396 185 M CB -2.090 30.504 32.600 -0.009 0.000 1.125 185 M HN 1.066 nan 8.290 nan 0.000 0.939 186 G N 0.173 108.975 108.800 0.003 0.000 2.212 186 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.267 186 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.267 186 G C 0.088 174.984 174.900 -0.007 0.000 1.002 186 G CA 0.428 45.530 45.100 0.004 0.000 0.729 186 G HN 0.709 nan 8.290 nan 0.000 0.517 187 I N 0.801 121.367 120.570 -0.007 0.000 2.517 187 I HA 0.277 4.447 4.170 -0.000 0.000 0.285 187 I C 1.958 178.065 176.117 -0.017 0.000 1.106 187 I CA 0.169 61.457 61.300 -0.021 0.000 1.402 187 I CB 0.946 38.944 38.000 -0.003 0.000 1.399 187 I HN 0.203 nan 8.210 nan 0.000 0.535 188 A N 5.893 128.689 122.820 -0.040 0.000 1.917 188 A HA -0.178 4.141 4.320 -0.000 0.000 0.219 188 A C 2.258 179.822 177.584 -0.034 0.000 1.182 188 A CA 2.107 54.119 52.037 -0.042 0.000 0.633 188 A CB -1.061 17.897 19.000 -0.069 0.000 0.819 188 A HN 0.902 nan 8.150 nan 0.000 0.448 189 G N -0.457 108.321 108.800 -0.036 0.000 2.470 189 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.220 189 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.220 189 G C 1.680 176.605 174.900 0.042 0.000 1.121 189 G CA 1.506 46.598 45.100 -0.014 0.000 0.766 189 G HN 0.955 nan 8.290 nan 0.000 0.553 190 S N -0.332 115.400 115.700 0.053 0.000 2.593 190 S HA 0.274 4.744 4.470 -0.000 0.000 0.217 190 S C 0.859 175.501 174.600 0.071 0.000 0.966 190 S CA -0.398 57.848 58.200 0.075 0.000 0.914 190 S CB -0.146 63.092 63.200 0.063 0.000 0.776 190 S HN 0.223 nan 8.310 nan 0.000 0.523 191 I N 3.182 123.785 120.570 0.056 0.000 2.268 191 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 191 I C -0.429 175.747 176.117 0.098 0.000 1.125 191 I CA -0.694 60.647 61.300 0.068 0.000 1.236 191 I CB 0.756 38.781 38.000 0.041 0.000 1.469 191 I HN 0.003 nan 8.210 nan 0.000 0.512 192 V N 4.612 124.609 119.914 0.139 0.000 2.493 192 V HA -0.088 4.032 4.120 -0.000 0.000 0.292 192 V C 0.666 176.930 176.094 0.283 0.000 1.016 192 V CA 0.330 62.739 62.300 0.181 0.000 1.097 192 V CB 0.464 32.360 31.823 0.122 0.000 0.947 192 V HN 0.599 nan 8.190 nan 0.000 0.479 193 D N 3.796 124.379 120.400 0.304 0.000 2.456 193 D HA 0.169 4.809 4.640 -0.000 0.000 0.219 193 D C 0.933 177.525 176.300 0.486 0.000 1.126 193 D CA -0.336 53.865 54.000 0.334 0.000 0.890 193 D CB 0.702 41.624 40.800 0.203 0.000 1.025 193 D HN 0.593 nan 8.370 nan 0.000 0.511 194 H N 2.275 121.501 119.070 0.259 0.000 2.387 194 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 194 H C 1.613 177.108 175.328 0.278 0.000 1.090 194 H CA 1.419 57.621 56.048 0.257 0.000 1.332 194 H CB 0.032 29.885 29.762 0.151 0.000 1.386 194 H HN 0.408 nan 8.280 nan 0.000 0.516 195 N N -0.140 118.792 118.700 0.387 0.000 2.244 195 N HA -0.155 4.585 4.740 -0.000 0.000 0.183 195 N C 1.659 177.423 175.510 0.424 0.000 1.016 195 N CA 0.721 53.975 53.050 0.340 0.000 0.866 195 N CB -0.265 38.400 38.487 0.297 0.000 0.980 195 N HN 0.247 nan 8.380 nan 0.000 0.430 196 F N 0.058 120.165 119.950 0.262 0.000 2.102 196 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 196 F C 1.555 177.445 175.800 0.150 0.000 1.105 196 F CA 1.247 59.351 58.000 0.173 0.000 1.239 196 F CB -0.766 38.109 39.000 -0.207 0.000 0.991 196 F HN -0.016 nan 8.300 nan 0.000 0.474 197 F N 1.350 121.190 119.950 -0.184 0.000 2.102 197 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 197 F C 2.486 178.204 175.800 -0.136 0.000 1.105 197 F CA 2.127 59.948 58.000 -0.298 0.000 1.239 197 F CB -0.887 38.023 39.000 -0.149 0.000 0.991 197 F HN 0.040 nan 8.300 nan 0.000 0.474 198 E N -0.509 119.795 120.200 0.173 0.000 2.031 198 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 198 E C 2.327 178.986 176.600 0.099 0.000 0.994 198 E CA 1.642 58.105 56.400 0.106 0.000 0.800 198 E CB -0.316 29.464 29.700 0.133 0.000 0.752 198 E HN 0.234 nan 8.360 nan 0.000 0.447 199 S N -0.143 115.654 115.700 0.161 0.000 2.357 199 S HA -0.065 4.405 4.470 -0.000 0.000 0.221 199 S C 1.556 176.205 174.600 0.082 0.000 1.031 199 S CA 0.558 58.811 58.200 0.088 0.000 0.982 199 S CB -0.145 63.026 63.200 -0.049 0.000 0.853 199 S HN 0.383 nan 8.310 nan 0.000 0.458 200 W N 1.132 122.444 121.300 0.019 0.000 2.525 200 W HA 0.264 4.923 4.660 -0.000 0.000 0.288 200 W C 1.586 178.142 176.519 0.060 0.000 1.200 200 W CA 0.475 57.822 57.345 0.003 0.000 1.349 200 W CB -0.275 29.125 29.460 -0.099 0.000 1.102 200 W HN 0.277 nan 8.180 nan 0.000 0.558 201 L N -0.451 120.835 121.223 0.105 0.000 2.513 201 L HA 0.312 4.652 4.340 -0.000 0.000 0.222 201 L C 1.559 178.418 176.870 -0.018 0.000 1.096 201 L CA 0.689 55.568 54.840 0.065 0.000 0.857 201 L CB -0.782 41.198 42.059 -0.132 0.000 1.026 201 L HN 0.076 nan 8.230 nan 0.000 0.469 202 G N 1.104 109.784 108.800 -0.200 0.000 2.198 202 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 202 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 202 G C 0.029 174.751 174.900 -0.297 0.000 1.042 202 G CA 0.349 45.039 45.100 -0.683 0.000 0.791 202 G HN 0.246 nan 8.290 nan 0.000 0.502 203 M N -1.138 118.416 119.600 -0.077 0.000 2.811 203 M HA 0.622 5.102 4.480 -0.000 0.000 0.303 203 M C 0.517 176.836 176.300 0.032 0.000 1.227 203 M CA -0.676 54.632 55.300 0.013 0.000 0.874 203 M CB 1.663 34.351 32.600 0.147 0.000 1.681 203 M HN 0.064 nan 8.290 nan 0.000 0.500 204 K N 0.215 120.618 120.400 0.006 0.000 2.295 204 K HA 0.764 5.084 4.320 -0.000 0.000 0.239 204 K C -1.514 175.031 176.600 -0.092 0.000 0.991 204 K CA -0.931 55.351 56.287 -0.007 0.000 0.845 204 K CB 2.383 34.883 32.500 -0.000 0.000 1.197 204 K HN 0.327 nan 8.250 nan 0.000 0.441 205 V N 1.853 121.688 119.914 -0.132 0.000 2.487 205 V HA 0.204 4.324 4.120 -0.000 0.000 0.298 205 V C -0.889 175.105 176.094 -0.166 0.000 1.028 205 V CA -0.716 61.414 62.300 -0.284 0.000 0.860 205 V CB 1.476 32.879 31.823 -0.699 0.000 0.991 205 V HN 0.656 nan 8.190 nan 0.000 0.427 206 Q N 3.754 123.441 119.800 -0.188 0.000 2.348 206 Q HA 0.725 5.065 4.340 -0.000 0.000 0.265 206 Q C -0.501 175.363 176.000 -0.226 0.000 0.998 206 Q CA -0.155 55.520 55.803 -0.213 0.000 0.831 206 Q CB 1.659 30.183 28.738 -0.356 0.000 1.251 206 Q HN 0.945 nan 8.270 nan 0.000 0.456 207 A N 3.564 126.313 122.820 -0.119 0.000 2.290 207 A HA 0.756 5.076 4.320 -0.000 0.000 0.310 207 A C -1.059 176.453 177.584 -0.120 0.000 1.202 207 A CA -0.538 51.456 52.037 -0.071 0.000 0.837 207 A CB 1.042 20.075 19.000 0.055 0.000 1.139 207 A HN 0.572 nan 8.150 nan 0.000 0.509 208 V N 2.983 122.828 119.914 -0.114 0.000 2.623 208 V HA 0.211 4.331 4.120 -0.000 0.000 0.304 208 V C -0.415 175.680 176.094 0.001 0.000 1.054 208 V CA -0.649 61.604 62.300 -0.080 0.000 0.882 208 V CB 1.843 33.582 31.823 -0.139 0.000 1.002 208 V HN 1.081 nan 8.190 nan 0.000 0.424 209 D N 3.058 123.485 120.400 0.045 0.000 2.362 209 D HA 0.192 4.832 4.640 -0.000 0.000 0.242 209 D C 1.195 177.568 176.300 0.122 0.000 1.132 209 D CA 0.004 54.057 54.000 0.088 0.000 0.907 209 D CB 1.045 41.905 40.800 0.100 0.000 1.195 209 D HN 0.530 nan 8.370 nan 0.000 0.429 210 M N 1.080 120.785 119.600 0.175 0.000 2.460 210 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 210 M C 1.917 178.437 176.300 0.367 0.000 1.071 210 M CA 0.992 56.445 55.300 0.255 0.000 1.096 210 M CB -0.383 32.433 32.600 0.359 0.000 1.408 210 M HN 0.588 nan 8.290 nan 0.000 0.463 211 T N -2.033 112.702 114.554 0.302 0.000 2.929 211 T HA -0.170 4.180 4.350 -0.000 0.000 0.271 211 T C 1.433 176.259 174.700 0.209 0.000 1.085 211 T CA 1.530 63.794 62.100 0.272 0.000 1.125 211 T CB -0.285 68.696 68.868 0.189 0.000 0.874 211 T HN 0.350 nan 8.240 nan 0.000 0.494 212 E N 0.973 121.276 120.200 0.171 0.000 2.208 212 E HA 0.062 4.412 4.350 -0.000 0.000 0.193 212 E C 1.954 178.627 176.600 0.123 0.000 0.988 212 E CA 0.542 57.019 56.400 0.129 0.000 0.828 212 E CB -0.630 29.138 29.700 0.113 0.000 0.763 212 E HN 0.539 nan 8.360 nan 0.000 0.478 213 L N -0.051 121.254 121.223 0.136 0.000 2.109 213 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 213 L C 2.515 179.503 176.870 0.196 0.000 1.086 213 L CA 1.263 56.153 54.840 0.082 0.000 0.760 213 L CB -0.196 41.796 42.059 -0.113 0.000 0.910 213 L HN 0.149 nan 8.230 nan 0.000 0.437 214 R N 0.308 120.997 120.500 0.315 0.000 2.081 214 R HA -0.218 4.122 4.340 -0.000 0.000 0.235 214 R C 2.395 178.743 176.300 0.081 0.000 1.131 214 R CA 1.684 57.877 56.100 0.155 0.000 0.960 214 R CB -0.398 29.953 30.300 0.086 0.000 0.856 214 R HN 0.203 nan 8.270 nan 0.000 0.436 215 R N -0.137 120.423 120.500 0.100 0.000 2.073 215 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 215 R C 2.028 178.372 176.300 0.073 0.000 1.134 215 R CA 1.493 57.638 56.100 0.073 0.000 0.952 215 R CB -0.069 30.275 30.300 0.074 0.000 0.850 215 R HN 0.162 nan 8.270 nan 0.000 0.433 216 R N 0.376 120.928 120.500 0.086 0.000 2.091 216 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 216 R C 2.315 178.718 176.300 0.172 0.000 1.136 216 R CA 1.373 57.535 56.100 0.103 0.000 0.959 216 R CB -0.663 29.692 30.300 0.093 0.000 0.856 216 R HN 0.362 nan 8.270 nan 0.000 0.437 217 I N 1.220 121.876 120.570 0.144 0.000 2.163 217 I HA -0.235 3.935 4.170 -0.000 0.000 0.240 217 I C 1.682 177.898 176.117 0.164 0.000 1.081 217 I CA 1.382 62.782 61.300 0.166 0.000 1.353 217 I CB -0.367 37.665 38.000 0.053 0.000 1.054 217 I HN 0.006 nan 8.210 nan 0.000 0.407 218 D N 0.473 120.918 120.400 0.074 0.000 2.178 218 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 218 D C 1.710 178.033 176.300 0.038 0.000 0.980 218 D CA 1.166 55.192 54.000 0.044 0.000 0.842 218 D CB -0.158 40.652 40.800 0.016 0.000 0.948 218 D HN 0.441 nan 8.370 nan 0.000 0.472 219 Q N -0.020 119.801 119.800 0.035 0.000 2.201 219 Q HA 0.126 4.466 4.340 -0.000 0.000 0.217 219 Q C -0.253 175.708 176.000 -0.065 0.000 0.860 219 Q CA -0.188 55.611 55.803 -0.007 0.000 0.984 219 Q CB 0.582 29.319 28.738 -0.002 0.000 1.095 219 Q HN -0.075 nan 8.270 nan 0.000 0.477 220 K N 0.251 120.600 120.400 -0.086 0.000 3.016 220 K HA -0.186 4.134 4.320 -0.000 0.000 0.262 220 K C -0.438 175.858 176.600 -0.507 0.000 1.043 220 K CA 0.539 56.566 56.287 -0.433 0.000 0.761 220 K CB -1.758 30.500 32.500 -0.403 0.000 1.230 220 K HN 0.373 nan 8.250 nan 0.000 0.485 221 I N 1.959 122.427 120.570 -0.169 0.000 2.280 221 I HA 0.075 4.245 4.170 -0.000 0.000 0.287 221 I C 0.077 176.215 176.117 0.035 0.000 1.121 221 I CA -0.311 60.941 61.300 -0.080 0.000 1.798 221 I CB -0.820 37.181 38.000 0.001 0.000 1.489 221 I HN 0.215 nan 8.210 nan 0.000 0.805 222 Y N 0.168 120.448 120.300 -0.034 0.000 2.713 222 Y HA 0.407 4.957 4.550 -0.000 0.000 0.335 222 Y C -0.939 174.939 175.900 -0.037 0.000 1.222 222 Y CA -1.887 56.190 58.100 -0.038 0.000 1.061 222 Y CB 0.463 38.896 38.460 -0.044 0.000 1.314 222 Y HN -0.052 nan 8.280 nan 0.000 0.453 223 D N 1.594 122.118 120.400 0.206 0.000 2.359 223 D HA 0.134 4.774 4.640 -0.000 0.000 0.250 223 D C 0.499 176.899 176.300 0.167 0.000 1.264 223 D CA 0.403 54.467 54.000 0.106 0.000 0.911 223 D CB 0.917 41.768 40.800 0.085 0.000 1.056 223 D HN 0.767 nan 8.370 nan 0.000 0.499 224 E N 2.228 122.467 120.200 0.065 0.000 2.204 224 E HA -0.191 4.158 4.350 -0.000 0.000 0.195 224 E C 1.713 178.340 176.600 0.046 0.000 0.990 224 E CA 0.938 57.392 56.400 0.091 0.000 0.821 224 E CB 0.198 29.894 29.700 -0.006 0.000 0.750 224 E HN 0.604 nan 8.360 nan 0.000 0.477 225 A N 1.197 124.028 122.820 0.019 0.000 1.898 225 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 225 A C 2.032 179.603 177.584 -0.021 0.000 1.181 225 A CA 1.561 53.597 52.037 -0.001 0.000 0.620 225 A CB -0.387 18.615 19.000 0.003 0.000 0.819 225 A HN 0.259 nan 8.150 nan 0.000 0.442 226 E N -0.538 119.658 120.200 -0.007 0.000 2.077 226 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 226 E C 1.895 178.355 176.600 -0.233 0.000 0.989 226 E CA 1.365 57.732 56.400 -0.054 0.000 0.800 226 E CB -0.220 29.505 29.700 0.041 0.000 0.746 226 E HN 0.420 nan 8.360 nan 0.000 0.452 227 L N 1.624 122.742 121.223 -0.175 0.000 2.012 227 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 227 L C 2.073 178.790 176.870 -0.255 0.000 1.073 227 L CA 1.921 56.595 54.840 -0.277 0.000 0.748 227 L CB -0.559 41.406 42.059 -0.158 0.000 0.891 227 L HN 0.124 nan 8.230 nan 0.000 0.431 228 E N -0.569 119.548 120.200 -0.139 0.000 2.070 228 E HA -0.341 4.009 4.350 -0.000 0.000 0.197 228 E C 2.223 178.741 176.600 -0.137 0.000 1.004 228 E CA 2.111 58.447 56.400 -0.108 0.000 0.805 228 E CB -0.552 29.114 29.700 -0.057 0.000 0.744 228 E HN 0.617 nan 8.360 nan 0.000 0.451 229 M N 0.180 119.690 119.600 -0.151 0.000 2.117 229 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 229 M C 2.190 178.345 176.300 -0.241 0.000 1.065 229 M CA 1.660 56.881 55.300 -0.133 0.000 1.114 229 M CB -0.041 32.511 32.600 -0.080 0.000 1.361 229 M HN 0.099 nan 8.290 nan 0.000 0.408 230 A N 0.520 122.981 122.820 -0.598 0.000 1.877 230 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 230 A C 1.985 179.342 177.584 -0.378 0.000 1.186 230 A CA 1.473 52.950 52.037 -0.934 0.000 0.620 230 A CB -0.988 17.029 19.000 -1.638 0.000 0.822 230 A HN 0.565 nan 8.150 nan 0.000 0.443 231 L N -0.800 120.227 121.223 -0.328 0.000 2.017 231 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 231 L C 3.141 179.917 176.870 -0.156 0.000 1.073 231 L CA 1.071 55.769 54.840 -0.237 0.000 0.745 231 L CB -0.583 41.362 42.059 -0.190 0.000 0.894 231 L HN 0.448 nan 8.230 nan 0.000 0.432 232 A N -0.514 122.252 122.820 -0.090 0.000 1.883 232 A HA -0.301 4.018 4.320 -0.000 0.000 0.217 232 A C 2.011 179.607 177.584 0.020 0.000 1.186 232 A CA 1.925 53.944 52.037 -0.029 0.000 0.624 232 A CB -1.193 17.809 19.000 0.004 0.000 0.822 232 A HN 0.649 nan 8.150 nan 0.000 0.444 233 W N 0.582 121.799 121.300 -0.138 0.000 2.358 233 W HA -0.104 4.556 4.660 -0.000 0.000 0.303 233 W C 2.431 178.825 176.519 -0.208 0.000 1.208 233 W CA 2.174 59.471 57.345 -0.080 0.000 1.274 233 W CB -0.243 29.246 29.460 0.049 0.000 1.138 233 W HN 0.363 nan 8.180 nan 0.000 0.515 234 A N 0.239 122.854 122.820 -0.342 0.000 1.877 234 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 234 A C 1.792 178.982 177.584 -0.656 0.000 1.186 234 A CA 2.068 53.455 52.037 -1.084 0.000 0.620 234 A CB -1.109 17.169 19.000 -1.204 0.000 0.822 234 A HN 0.300 nan 8.150 nan 0.000 0.443 235 D N -0.440 119.763 120.400 -0.328 0.000 2.123 235 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 235 D C 1.886 178.123 176.300 -0.105 0.000 0.992 235 D CA 1.835 55.748 54.000 -0.145 0.000 0.833 235 D CB -0.173 40.572 40.800 -0.092 0.000 0.954 235 D HN 0.478 nan 8.370 nan 0.000 0.455 236 K N 0.423 120.742 120.400 -0.135 0.000 2.288 236 K HA 0.024 4.344 4.320 -0.000 0.000 0.201 236 K C 1.230 177.750 176.600 -0.133 0.000 1.048 236 K CA 0.978 57.206 56.287 -0.098 0.000 0.956 236 K CB 0.271 32.735 32.500 -0.060 0.000 0.746 236 K HN 0.047 nan 8.250 nan 0.000 0.461 237 N N -1.193 117.365 118.700 -0.236 0.000 2.266 237 N HA 0.036 4.776 4.740 -0.000 0.000 0.217 237 N C -0.777 174.732 175.510 -0.002 0.000 1.211 237 N CA -0.092 52.844 53.050 -0.189 0.000 0.881 237 N CB 0.430 38.658 38.487 -0.432 0.000 1.153 237 N HN -0.026 nan 8.380 nan 0.000 0.489 238 F N 2.668 122.399 119.950 -0.365 0.000 2.541 238 F HA 0.216 4.743 4.527 -0.000 0.000 0.378 238 F C 1.086 176.689 175.800 -0.328 0.000 1.068 238 F CA -0.333 57.418 58.000 -0.414 0.000 1.199 238 F CB 0.109 38.606 39.000 -0.838 0.000 1.091 238 F HN -0.313 nan 8.300 nan 0.000 0.555 239 R N 3.511 123.978 120.500 -0.054 0.000 2.255 239 R HA 0.328 4.668 4.340 -0.000 0.000 0.326 239 R C -1.341 174.895 176.300 -0.107 0.000 0.986 239 R CA -0.599 55.482 56.100 -0.033 0.000 0.847 239 R CB 0.633 30.934 30.300 0.001 0.000 1.111 239 R HN 0.438 nan 8.270 nan 0.000 0.452 240 Y N 1.088 121.485 120.300 0.162 0.000 2.316 240 Y HA 0.333 4.883 4.550 -0.000 0.000 0.331 240 Y C 1.189 177.166 175.900 0.129 0.000 1.083 240 Y CA -0.170 58.031 58.100 0.169 0.000 1.206 240 Y CB 1.667 40.217 38.460 0.151 0.000 1.195 240 Y HN 0.649 nan 8.280 nan 0.000 0.497 241 G N 2.871 111.834 108.800 0.271 0.000 2.395 241 G HA2 0.246 4.205 3.960 -0.000 0.000 0.283 241 G HA3 0.246 4.205 3.960 -0.000 0.000 0.283 241 G C -0.530 174.484 174.900 0.190 0.000 1.178 241 G CA -0.770 44.435 45.100 0.175 0.000 0.837 241 G HN 0.486 nan 8.290 nan 0.000 0.518 242 E N 1.261 121.543 120.200 0.136 0.000 2.415 242 E HA -0.011 4.339 4.350 -0.000 0.000 0.262 242 E C -0.330 176.338 176.600 0.113 0.000 1.038 242 E CA 0.200 56.673 56.400 0.121 0.000 0.921 242 E CB 0.780 30.536 29.700 0.093 0.000 0.950 242 E HN 0.436 nan 8.360 nan 0.000 0.438 243 D N 2.835 123.303 120.400 0.114 0.000 2.542 243 D HA -0.032 4.608 4.640 -0.000 0.000 0.242 243 D C 0.759 177.123 176.300 0.106 0.000 1.207 243 D CA 0.189 54.251 54.000 0.104 0.000 1.172 243 D CB 0.210 41.091 40.800 0.135 0.000 1.126 243 D HN 0.195 nan 8.370 nan 0.000 0.500 244 E N 0.738 120.983 120.200 0.075 0.000 2.268 244 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 244 E C 0.126 176.773 176.600 0.077 0.000 0.995 244 E CA 0.455 56.891 56.400 0.060 0.000 0.836 244 E CB -0.116 29.599 29.700 0.025 0.000 0.763 244 E HN 0.382 nan 8.360 nan 0.000 0.491 245 N N 2.763 121.518 118.700 0.091 0.000 2.383 245 N HA -0.081 4.659 4.740 -0.000 0.000 0.295 245 N C -0.145 175.551 175.510 0.311 0.000 1.281 245 N CA 0.285 53.429 53.050 0.157 0.000 1.048 245 N CB -0.536 37.972 38.487 0.035 0.000 1.455 245 N HN 0.083 nan 8.380 nan 0.000 0.488 246 N N 1.122 119.934 118.700 0.186 0.000 2.765 246 N HA -0.264 4.476 4.740 -0.000 0.000 0.248 246 N C -0.550 175.025 175.510 0.108 0.000 1.063 246 N CA 1.051 54.182 53.050 0.136 0.000 0.862 246 N CB -0.439 38.126 38.487 0.129 0.000 1.145 246 N HN 0.439 nan 8.380 nan 0.000 0.581 247 K N -1.235 119.255 120.400 0.149 0.000 3.016 247 K HA -0.249 4.071 4.320 -0.000 0.000 0.262 247 K C -0.702 175.945 176.600 0.078 0.000 1.043 247 K CA 1.179 57.536 56.287 0.116 0.000 0.761 247 K CB -1.759 30.782 32.500 0.068 0.000 1.230 247 K HN 0.717 nan 8.250 nan 0.000 0.485 248 Q N -0.129 119.706 119.800 0.058 0.000 3.048 248 Q HA 0.298 4.638 4.340 -0.000 0.000 0.337 248 Q C -1.305 174.474 176.000 -0.368 0.000 0.845 248 Q CA -0.183 55.539 55.803 -0.135 0.000 0.942 248 Q CB 0.740 29.351 28.738 -0.212 0.000 1.454 248 Q HN 0.212 nan 8.270 nan 0.000 0.392 249 Y N -0.203 120.103 120.300 0.009 0.000 2.330 249 Y HA 0.149 4.699 4.550 -0.000 0.000 0.324 249 Y C 0.443 176.349 175.900 0.009 0.000 1.093 249 Y CA -0.676 57.426 58.100 0.003 0.000 1.103 249 Y CB 1.893 40.365 38.460 0.020 0.000 1.183 249 Y HN 0.192 nan 8.280 nan 0.000 0.433 250 Q N 2.312 122.182 119.800 0.117 0.000 2.282 250 Q HA 0.169 4.509 4.340 -0.000 0.000 0.206 250 Q C 0.127 176.174 176.000 0.078 0.000 0.878 250 Q CA -0.153 55.697 55.803 0.077 0.000 0.944 250 Q CB 0.393 29.151 28.738 0.033 0.000 1.100 250 Q HN 0.671 nan 8.270 nan 0.000 0.509 251 R N 0.219 120.784 120.500 0.107 0.000 2.583 251 R HA 0.015 4.355 4.340 -0.000 0.000 0.274 251 R C 0.254 176.594 176.300 0.067 0.000 0.998 251 R CA 1.062 57.213 56.100 0.084 0.000 1.081 251 R CB 0.220 30.583 30.300 0.105 0.000 0.940 251 R HN 0.213 nan 8.270 nan 0.000 0.413 252 N N 1.537 120.266 118.700 0.048 0.000 2.572 252 N HA -0.105 4.635 4.740 -0.000 0.000 0.336 252 N C -0.766 174.759 175.510 0.025 0.000 0.585 252 N CA 0.334 53.404 53.050 0.034 0.000 1.330 252 N CB -0.229 38.272 38.487 0.024 0.000 1.836 252 N HN 0.648 nan 8.380 nan 0.000 1.694 253 A N 2.438 125.270 122.820 0.020 0.000 2.550 253 A HA 0.121 4.441 4.320 -0.000 0.000 0.263 253 A C 0.817 178.413 177.584 0.019 0.000 1.065 253 A CA 1.249 53.295 52.037 0.014 0.000 0.786 253 A CB -0.385 18.623 19.000 0.013 0.000 0.985 253 A HN 0.563 nan 8.150 nan 0.000 0.518 254 E N 0.847 121.057 120.200 0.016 0.000 4.807 254 E HA -0.375 3.975 4.350 -0.000 0.000 0.171 254 E C 1.441 178.062 176.600 0.034 0.000 1.266 254 E CA 2.399 58.812 56.400 0.021 0.000 2.327 254 E CB -1.609 28.102 29.700 0.019 0.000 1.829 254 E HN 0.978 nan 8.360 nan 0.000 0.414 255 Q N 0.610 120.434 119.800 0.039 0.000 2.012 255 Q HA -0.172 4.168 4.340 -0.000 0.000 0.211 255 Q C 2.220 178.259 176.000 0.065 0.000 1.009 255 Q CA 2.637 58.471 55.803 0.052 0.000 0.866 255 Q CB -0.382 28.388 28.738 0.054 0.000 0.945 255 Q HN 0.353 nan 8.270 nan 0.000 0.414 256 S N 0.289 116.033 115.700 0.073 0.000 2.399 256 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 256 S C 1.750 176.447 174.600 0.161 0.000 1.022 256 S CA 1.226 59.504 58.200 0.130 0.000 0.983 256 S CB -0.201 63.085 63.200 0.142 0.000 0.803 256 S HN 0.202 nan 8.310 nan 0.000 0.480 257 R N 2.369 122.916 120.500 0.079 0.000 2.070 257 R HA 0.080 4.420 4.340 -0.000 0.000 0.232 257 R C 2.296 178.629 176.300 0.056 0.000 1.138 257 R CA 1.818 57.947 56.100 0.048 0.000 0.936 257 R CB -1.210 29.097 30.300 0.012 0.000 0.839 257 R HN 0.299 nan 8.270 nan 0.000 0.429 258 A N -0.233 122.617 122.820 0.050 0.000 2.024 258 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 258 A C 2.339 179.962 177.584 0.065 0.000 1.164 258 A CA 1.746 53.808 52.037 0.042 0.000 0.643 258 A CB -0.672 18.351 19.000 0.038 0.000 0.806 258 A HN 0.214 nan 8.150 nan 0.000 0.451 259 V N 0.005 119.984 119.914 0.107 0.000 2.270 259 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 259 V C 2.452 178.672 176.094 0.210 0.000 1.043 259 V CA 1.774 64.162 62.300 0.147 0.000 1.014 259 V CB -0.656 31.248 31.823 0.134 0.000 0.645 259 V HN 0.661 nan 8.190 nan 0.000 0.447 260 L N 0.191 121.578 121.223 0.273 0.000 2.083 260 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 260 L C 2.641 179.534 176.870 0.037 0.000 1.083 260 L CA 2.122 57.080 54.840 0.197 0.000 0.752 260 L CB -0.633 41.473 42.059 0.078 0.000 0.899 260 L HN 0.334 nan 8.230 nan 0.000 0.433 261 R N 0.057 120.559 120.500 0.004 0.000 2.080 261 R HA -0.271 4.069 4.340 -0.000 0.000 0.236 261 R C 2.230 178.484 176.300 -0.076 0.000 1.137 261 R CA 2.187 58.248 56.100 -0.066 0.000 0.943 261 R CB -0.218 30.054 30.300 -0.046 0.000 0.846 261 R HN 0.423 nan 8.270 nan 0.000 0.431 262 E N -0.293 119.898 120.200 -0.015 0.000 2.077 262 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 262 E C 1.818 178.422 176.600 0.006 0.000 0.989 262 E CA 1.746 58.141 56.400 -0.009 0.000 0.800 262 E CB 0.045 29.772 29.700 0.045 0.000 0.746 262 E HN 0.257 nan 8.360 nan 0.000 0.452 263 S N 0.361 116.098 115.700 0.061 0.000 2.370 263 S HA -0.148 4.321 4.470 -0.000 0.000 0.226 263 S C 1.874 176.480 174.600 0.010 0.000 1.033 263 S CA 1.094 59.340 58.200 0.076 0.000 1.011 263 S CB -0.236 63.068 63.200 0.173 0.000 0.852 263 S HN 0.281 nan 8.310 nan 0.000 0.457 264 L N 0.809 122.008 121.223 -0.041 0.000 2.093 264 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 264 L C 2.257 179.028 176.870 -0.166 0.000 1.085 264 L CA 0.828 55.607 54.840 -0.102 0.000 0.755 264 L CB -0.536 41.370 42.059 -0.255 0.000 0.904 264 L HN 0.278 nan 8.230 nan 0.000 0.435 265 L N -0.805 120.281 121.223 -0.228 0.000 2.083 265 L HA -0.248 4.092 4.340 -0.000 0.000 0.209 265 L C 2.681 179.419 176.870 -0.219 0.000 1.083 265 L CA 1.395 56.041 54.840 -0.324 0.000 0.752 265 L CB -0.284 41.529 42.059 -0.409 0.000 0.899 265 L HN 0.317 nan 8.230 nan 0.000 0.433 266 M N -0.885 118.617 119.600 -0.164 0.000 2.108 266 M HA -0.226 4.254 4.480 -0.000 0.000 0.261 266 M C 2.484 178.646 176.300 -0.230 0.000 1.066 266 M CA 2.014 57.182 55.300 -0.220 0.000 1.107 266 M CB -0.489 31.961 32.600 -0.251 0.000 1.356 266 M HN 0.319 nan 8.290 nan 0.000 0.406 267 A N 0.082 122.821 122.820 -0.135 0.000 1.902 267 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 267 A C 2.122 179.647 177.584 -0.099 0.000 1.181 267 A CA 1.705 53.683 52.037 -0.097 0.000 0.623 267 A CB -0.605 18.441 19.000 0.077 0.000 0.818 267 A HN 0.460 nan 8.150 nan 0.000 0.443 268 M N -1.033 118.547 119.600 -0.034 0.000 2.067 268 M HA -0.198 4.282 4.480 -0.000 0.000 0.260 268 M C 2.403 178.648 176.300 -0.091 0.000 1.069 268 M CA 1.686 56.973 55.300 -0.022 0.000 1.117 268 M CB -0.619 31.959 32.600 -0.038 0.000 1.334 268 M HN 0.553 nan 8.290 nan 0.000 0.407 269 C N 0.201 119.430 119.300 -0.117 0.000 2.429 269 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 269 C C 2.611 177.519 174.990 -0.137 0.000 1.262 269 C CA 0.482 59.442 59.018 -0.096 0.000 1.733 269 C CB -0.968 26.721 27.740 -0.084 0.000 2.010 269 C HN 0.515 nan 8.230 nan 0.000 0.483 270 I N 0.617 121.061 120.570 -0.210 0.000 2.179 270 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 270 I C 2.931 178.889 176.117 -0.266 0.000 1.088 270 I CA 1.469 62.623 61.300 -0.243 0.000 1.357 270 I CB -0.618 37.188 38.000 -0.323 0.000 1.051 270 I HN 0.338 nan 8.210 nan 0.000 0.409 271 R N 1.060 121.349 120.500 -0.353 0.000 2.091 271 R HA -0.217 4.123 4.340 -0.000 0.000 0.238 271 R C 1.738 177.885 176.300 -0.256 0.000 1.136 271 R CA 2.148 57.946 56.100 -0.504 0.000 0.959 271 R CB -0.279 29.674 30.300 -0.579 0.000 0.856 271 R HN 0.317 nan 8.270 nan 0.000 0.437 272 D N 0.302 120.609 120.400 -0.154 0.000 2.144 272 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 272 D C 1.969 178.219 176.300 -0.083 0.000 0.984 272 D CA 1.307 55.255 54.000 -0.087 0.000 0.834 272 D CB -0.146 40.624 40.800 -0.051 0.000 0.955 272 D HN 0.340 nan 8.370 nan 0.000 0.465 273 M N -0.472 119.088 119.600 -0.067 0.000 2.175 273 M HA -0.069 4.411 4.480 -0.000 0.000 0.264 273 M C 2.224 178.563 176.300 0.064 0.000 1.063 273 M CA 1.068 56.375 55.300 0.012 0.000 1.119 273 M CB -0.113 32.554 32.600 0.111 0.000 1.377 273 M HN 0.009 nan 8.290 nan 0.000 0.415 274 M N -0.239 119.355 119.600 -0.011 0.000 2.099 274 M HA -0.218 4.262 4.480 -0.000 0.000 0.262 274 M C 1.942 178.266 176.300 0.039 0.000 1.067 274 M CA 1.770 57.078 55.300 0.013 0.000 1.124 274 M CB -0.310 32.268 32.600 -0.036 0.000 1.353 274 M HN 0.325 nan 8.290 nan 0.000 0.410 275 Q N -0.361 119.453 119.800 0.023 0.000 2.189 275 Q HA 0.424 4.764 4.340 -0.000 0.000 0.223 275 Q C 0.400 176.397 176.000 -0.005 0.000 0.828 275 Q CA 0.150 55.977 55.803 0.040 0.000 0.967 275 Q CB 0.853 29.658 28.738 0.112 0.000 1.139 275 Q HN 0.367 nan 8.270 nan 0.000 0.497 276 G N 1.740 110.513 108.800 -0.046 0.000 2.814 276 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.677 276 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.677 276 G C -1.143 173.734 174.900 -0.038 0.000 1.429 276 G CA -0.242 44.818 45.100 -0.066 0.000 0.868 276 G HN 0.362 nan 8.290 nan 0.000 0.553 277 N N -0.738 117.937 118.700 -0.041 0.000 2.616 277 N HA 0.410 5.150 4.740 -0.000 0.000 0.281 277 N C 1.201 176.697 175.510 -0.024 0.000 1.145 277 N CA 0.444 53.481 53.050 -0.021 0.000 0.919 277 N CB 1.379 39.858 38.487 -0.013 0.000 1.509 277 N HN 1.159 nan 8.380 nan 0.000 0.537 278 S N 2.814 118.504 115.700 -0.018 0.000 2.419 278 S HA -0.116 4.354 4.470 -0.000 0.000 0.235 278 S C 1.418 176.007 174.600 -0.018 0.000 1.019 278 S CA 0.688 58.877 58.200 -0.020 0.000 0.982 278 S CB -0.030 63.161 63.200 -0.015 0.000 0.789 278 S HN 0.491 nan 8.310 nan 0.000 0.490 279 K N 1.541 121.935 120.400 -0.011 0.000 2.211 279 K HA 0.090 4.410 4.320 -0.000 0.000 0.204 279 K C 1.956 178.543 176.600 -0.021 0.000 1.047 279 K CA 0.802 57.083 56.287 -0.011 0.000 0.935 279 K CB -0.697 31.804 32.500 0.002 0.000 0.728 279 K HN 0.486 nan 8.250 nan 0.000 0.452 280 L N 0.218 121.427 121.223 -0.024 0.000 2.217 280 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 280 L C 2.501 179.348 176.870 -0.038 0.000 1.107 280 L CA 0.783 55.603 54.840 -0.034 0.000 0.783 280 L CB -0.584 41.454 42.059 -0.035 0.000 0.919 280 L HN 0.073 nan 8.230 nan 0.000 0.442 281 A N 0.160 122.959 122.820 -0.034 0.000 1.898 281 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 281 A C 1.875 179.441 177.584 -0.030 0.000 1.181 281 A CA 1.752 53.770 52.037 -0.032 0.000 0.620 281 A CB -0.451 18.532 19.000 -0.029 0.000 0.819 281 A HN 0.307 nan 8.150 nan 0.000 0.442 282 D N 0.356 120.739 120.400 -0.028 0.000 2.133 282 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 282 D C 1.710 177.991 176.300 -0.033 0.000 0.997 282 D CA 1.789 55.773 54.000 -0.027 0.000 0.840 282 D CB -0.467 40.319 40.800 -0.024 0.000 0.947 282 D HN 0.746 nan 8.370 nan 0.000 0.452 283 I N -3.739 116.806 120.570 -0.041 0.000 3.735 283 I HA 0.290 4.460 4.170 -0.000 0.000 0.310 283 I C 1.167 177.256 176.117 -0.047 0.000 1.270 283 I CA 0.594 61.863 61.300 -0.051 0.000 1.207 283 I CB -0.036 37.921 38.000 -0.072 0.000 1.013 283 I HN 0.046 nan 8.210 nan 0.000 0.452 284 G N 2.067 110.844 108.800 -0.039 0.000 2.141 284 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.231 284 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.231 284 G C 0.219 175.098 174.900 -0.035 0.000 0.984 284 G CA -0.175 44.904 45.100 -0.034 0.000 0.660 284 G HN 0.404 nan 8.290 nan 0.000 0.525 285 R N 1.010 121.486 120.500 -0.040 0.000 4.017 285 R HA 0.520 4.860 4.340 -0.000 0.000 0.272 285 R C 2.034 178.309 176.300 -0.041 0.000 1.516 285 R CA 0.419 56.495 56.100 -0.040 0.000 1.519 285 R CB -0.091 30.182 30.300 -0.046 0.000 1.422 285 R HN 0.592 nan 8.270 nan 0.000 0.719 286 V N -1.718 118.174 119.914 -0.037 0.000 2.295 286 V HA -0.231 3.888 4.120 -0.000 0.000 0.246 286 V C 1.914 177.979 176.094 -0.050 0.000 1.049 286 V CA 1.805 64.081 62.300 -0.039 0.000 1.024 286 V CB -0.438 31.366 31.823 -0.031 0.000 0.648 286 V HN 0.542 nan 8.190 nan 0.000 0.447 287 E N 0.781 120.953 120.200 -0.046 0.000 2.058 287 E HA -0.308 4.042 4.350 -0.000 0.000 0.194 287 E C 2.148 178.689 176.600 -0.098 0.000 0.997 287 E CA 2.028 58.393 56.400 -0.058 0.000 0.801 287 E CB -0.159 29.519 29.700 -0.037 0.000 0.746 287 E HN 0.757 nan 8.360 nan 0.000 0.450 288 E N 0.123 120.271 120.200 -0.088 0.000 2.204 288 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 288 E C 2.060 178.582 176.600 -0.131 0.000 0.990 288 E CA 1.240 57.571 56.400 -0.115 0.000 0.821 288 E CB -0.138 29.523 29.700 -0.065 0.000 0.750 288 E HN 0.316 nan 8.360 nan 0.000 0.477 289 S N 0.040 115.681 115.700 -0.097 0.000 2.447 289 S HA -0.064 4.406 4.470 -0.000 0.000 0.233 289 S C 1.862 176.401 174.600 -0.102 0.000 1.006 289 S CA 0.453 58.603 58.200 -0.084 0.000 0.957 289 S CB -0.258 62.907 63.200 -0.058 0.000 0.773 289 S HN 0.210 nan 8.310 nan 0.000 0.507 290 L N 1.195 122.339 121.223 -0.131 0.000 2.093 290 L HA 0.201 4.541 4.340 -0.000 0.000 0.208 290 L C 1.754 178.523 176.870 -0.167 0.000 1.085 290 L CA 0.684 55.445 54.840 -0.132 0.000 0.755 290 L CB -1.422 40.561 42.059 -0.126 0.000 0.904 290 L HN 0.705 nan 8.230 nan 0.000 0.435 291 G N -1.427 107.201 108.800 -0.286 0.000 2.760 291 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.246 291 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.246 291 G C -0.543 174.117 174.900 -0.400 0.000 1.359 291 G CA -0.110 44.802 45.100 -0.313 0.000 0.861 291 G HN 0.082 nan 8.290 nan 0.000 0.541 292 Y N 0.349 120.629 120.300 -0.034 0.000 2.612 292 Y HA 0.340 4.890 4.550 -0.000 0.000 0.250 292 Y C 1.374 177.255 175.900 -0.033 0.000 1.175 292 Y CA 0.003 58.081 58.100 -0.036 0.000 1.205 292 Y CB 0.428 38.857 38.460 -0.052 0.000 1.201 292 Y HN 0.821 nan 8.280 nan 0.000 0.532 293 N N 0.756 119.510 118.700 0.089 0.000 2.735 293 N HA -0.201 4.539 4.740 -0.000 0.000 0.248 293 N C -0.518 175.025 175.510 0.056 0.000 1.083 293 N CA 0.613 53.697 53.050 0.057 0.000 0.703 293 N CB -0.903 37.611 38.487 0.044 0.000 1.005 293 N HN 0.368 nan 8.380 nan 0.000 0.550 294 A N 0.289 123.146 122.820 0.062 0.000 2.328 294 A HA 0.527 4.847 4.320 -0.000 0.000 0.284 294 A C 1.371 178.986 177.584 0.053 0.000 1.160 294 A CA -0.384 51.669 52.037 0.026 0.000 0.818 294 A CB 0.464 19.447 19.000 -0.027 0.000 1.087 294 A HN 0.493 nan 8.150 nan 0.000 0.504 295 I N 0.845 121.453 120.570 0.062 0.000 3.968 295 I HA 0.424 4.594 4.170 -0.000 0.000 0.328 295 I C 0.567 176.757 176.117 0.121 0.000 1.290 295 I CA 0.726 62.085 61.300 0.097 0.000 1.163 295 I CB 0.064 38.123 38.000 0.098 0.000 1.024 295 I HN 0.724 nan 8.210 nan 0.000 0.413 296 A N 0.429 123.302 122.820 0.088 0.000 2.605 296 A HA 0.841 5.161 4.320 -0.000 0.000 0.294 296 A C -1.389 176.103 177.584 -0.154 0.000 1.062 296 A CA 0.004 52.099 52.037 0.098 0.000 0.682 296 A CB 1.199 20.369 19.000 0.283 0.000 1.278 296 A HN 0.196 nan 8.150 nan 0.000 0.410 297 A N -0.385 122.311 122.820 -0.205 0.000 2.602 297 A HA 0.988 5.308 4.320 -0.000 0.000 0.290 297 A C -0.206 177.224 177.584 -0.256 0.000 1.114 297 A CA -0.184 51.544 52.037 -0.516 0.000 0.683 297 A CB 1.327 20.147 19.000 -0.300 0.000 1.281 297 A HN 2.438 nan 8.150 nan 0.000 0.416 298 G N -0.927 107.720 108.800 -0.255 0.000 2.620 298 G HA2 0.615 4.575 3.960 -0.000 0.000 0.301 298 G HA3 0.615 4.575 3.960 -0.000 0.000 0.301 298 G C -1.877 173.051 174.900 0.047 0.000 1.347 298 G CA -0.397 44.731 45.100 0.047 0.000 0.971 298 G HN 1.159 nan 8.290 nan 0.000 0.488 299 F N 1.871 121.756 119.950 -0.108 0.000 2.445 299 F HA 0.402 4.929 4.527 -0.000 0.000 0.348 299 F C 1.319 177.049 175.800 -0.117 0.000 1.125 299 F CA -1.157 56.746 58.000 -0.161 0.000 0.983 299 F CB 2.098 40.964 39.000 -0.223 0.000 1.198 299 F HN 0.613 nan 8.300 nan 0.000 0.436 300 Q N 4.786 124.220 119.800 -0.610 0.000 2.014 300 Q HA 0.013 4.353 4.340 -0.000 0.000 0.207 300 Q C 1.657 177.237 176.000 -0.700 0.000 0.993 300 Q CA 2.489 57.989 55.803 -0.505 0.000 0.850 300 Q CB -0.381 28.161 28.738 -0.326 0.000 0.916 300 Q HN 1.125 nan 8.270 nan 0.000 0.417 301 G N 0.231 108.299 108.800 -1.220 0.000 3.274 301 G HA2 -0.385 3.574 3.960 -0.000 0.000 0.313 301 G HA3 -0.385 3.574 3.960 -0.000 0.000 0.313 301 G C -0.368 174.425 174.900 -0.178 0.000 1.295 301 G CA 0.445 45.103 45.100 -0.736 0.000 1.004 301 G HN 0.533 nan 8.290 nan 0.000 0.614 302 Q N 0.898 120.640 119.800 -0.096 0.000 2.364 302 Q HA 0.401 4.741 4.340 -0.000 0.000 0.267 302 Q C 1.387 177.245 176.000 -0.236 0.000 0.999 302 Q CA -0.302 55.459 55.803 -0.070 0.000 0.886 302 Q CB 0.847 29.569 28.738 -0.028 0.000 1.243 302 Q HN 0.469 nan 8.270 nan 0.000 0.415 303 R N 1.076 121.371 120.500 -0.341 0.000 2.175 303 R HA 0.005 4.344 4.340 -0.000 0.000 0.202 303 R C 1.615 177.932 176.300 0.027 0.000 1.018 303 R CA 0.783 56.819 56.100 -0.106 0.000 1.029 303 R CB 0.050 30.351 30.300 0.001 0.000 0.959 303 R HN 0.762 nan 8.270 nan 0.000 0.480 304 H N -1.122 117.980 119.070 0.054 0.000 2.422 304 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 304 H C 1.755 177.149 175.328 0.111 0.000 1.098 304 H CA 1.171 57.257 56.048 0.063 0.000 1.315 304 H CB 0.029 29.836 29.762 0.075 0.000 1.382 304 H HN 0.306 nan 8.280 nan 0.000 0.523 305 W N 2.501 123.852 121.300 0.085 0.000 2.501 305 W HA -0.139 4.521 4.660 -0.000 0.000 0.309 305 W C 2.047 178.638 176.519 0.120 0.000 1.165 305 W CA 1.813 59.260 57.345 0.171 0.000 1.381 305 W CB -0.319 29.287 29.460 0.244 0.000 1.142 305 W HN 0.208 nan 8.180 nan 0.000 0.509 306 T N -0.947 113.856 114.554 0.414 0.000 2.897 306 T HA -0.217 4.133 4.350 -0.000 0.000 0.271 306 T C 1.001 175.755 174.700 0.089 0.000 1.084 306 T CA 1.710 64.008 62.100 0.329 0.000 1.123 306 T CB -0.626 68.514 68.868 0.453 0.000 0.865 306 T HN -0.106 nan 8.240 nan 0.000 0.496 307 D N 1.645 122.038 120.400 -0.012 0.000 2.378 307 D HA 0.016 4.656 4.640 -0.000 0.000 0.227 307 D C 1.982 178.169 176.300 -0.188 0.000 1.012 307 D CA 0.765 54.712 54.000 -0.088 0.000 0.905 307 D CB 0.023 40.786 40.800 -0.062 0.000 0.895 307 D HN 0.910 nan 8.370 nan 0.000 0.532 308 Q N -2.381 117.224 119.800 -0.324 0.000 2.024 308 Q HA 0.045 4.385 4.340 -0.000 0.000 0.227 308 Q C -0.469 175.234 176.000 -0.494 0.000 0.720 308 Q CA -0.198 55.309 55.803 -0.494 0.000 0.884 308 Q CB 0.654 28.924 28.738 -0.779 0.000 1.212 308 Q HN 0.045 nan 8.270 nan 0.000 0.450 309 Y N 0.910 121.023 120.300 -0.312 0.000 2.602 309 Y HA 0.639 5.189 4.550 -0.000 0.000 0.342 309 Y C -2.572 173.292 175.900 -0.059 0.000 1.029 309 Y CA -3.258 54.624 58.100 -0.363 0.000 1.080 309 Y CB 0.480 38.321 38.460 -1.032 0.000 1.284 309 Y HN -0.156 nan 8.280 nan 0.000 0.485 310 P HA -0.007 nan 4.420 nan 0.000 0.264 310 P C -0.472 177.113 177.300 0.476 0.000 1.183 310 P CA 0.037 63.311 63.100 0.290 0.000 0.763 310 P CB 0.376 32.217 31.700 0.235 0.000 0.807 311 N N 1.477 120.372 118.700 0.325 0.000 2.294 311 N HA 0.094 4.833 4.740 -0.000 0.000 0.248 311 N C 1.164 176.825 175.510 0.252 0.000 1.300 311 N CA -0.032 53.218 53.050 0.333 0.000 0.925 311 N CB -0.577 37.920 38.487 0.017 0.000 1.188 311 N HN 0.385 nan 8.380 nan 0.000 0.512 312 G N -1.674 107.274 108.800 0.247 0.000 3.233 312 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.227 312 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.227 312 G C 0.409 175.316 174.900 0.012 0.000 1.175 312 G CA -0.183 44.984 45.100 0.111 0.000 0.781 312 G HN 0.550 nan 8.290 nan 0.000 0.542 313 D N 1.124 121.508 120.400 -0.027 0.000 2.106 313 D HA -0.132 4.508 4.640 -0.000 0.000 0.191 313 D C 2.580 178.943 176.300 0.105 0.000 0.997 313 D CA 1.690 55.666 54.000 -0.039 0.000 0.834 313 D CB -0.455 40.297 40.800 -0.079 0.000 0.956 313 D HN 0.191 nan 8.370 nan 0.000 0.448 314 T N 0.743 115.422 114.554 0.207 0.000 2.708 314 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 314 T C 2.022 176.838 174.700 0.193 0.000 1.037 314 T CA 1.756 64.040 62.100 0.308 0.000 1.146 314 T CB -0.477 68.547 68.868 0.261 0.000 0.865 314 T HN 0.229 nan 8.240 nan 0.000 0.435 315 A N 1.734 124.597 122.820 0.072 0.000 1.865 315 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 315 A C 2.215 179.780 177.584 -0.031 0.000 1.191 315 A CA 1.978 54.005 52.037 -0.016 0.000 0.623 315 A CB -0.702 18.198 19.000 -0.167 0.000 0.826 315 A HN 0.611 nan 8.150 nan 0.000 0.444 316 E N -0.349 119.824 120.200 -0.045 0.000 2.051 316 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 316 E C 2.353 178.946 176.600 -0.012 0.000 0.991 316 E CA 1.032 57.396 56.400 -0.059 0.000 0.799 316 E CB -0.333 29.303 29.700 -0.107 0.000 0.748 316 E HN 0.620 nan 8.360 nan 0.000 0.449 317 A N 1.384 124.236 122.820 0.054 0.000 1.877 317 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 317 A C 2.165 179.820 177.584 0.118 0.000 1.186 317 A CA 1.148 53.250 52.037 0.109 0.000 0.620 317 A CB -0.430 18.695 19.000 0.209 0.000 0.822 317 A HN 0.105 nan 8.150 nan 0.000 0.443 318 I N -0.078 120.592 120.570 0.167 0.000 2.163 318 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 318 I C 2.540 178.631 176.117 -0.045 0.000 1.081 318 I CA 1.210 62.574 61.300 0.106 0.000 1.353 318 I CB -1.509 36.602 38.000 0.184 0.000 1.054 318 I HN 0.283 nan 8.210 nan 0.000 0.407 319 L N 0.620 121.817 121.223 -0.043 0.000 2.079 319 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 319 L C 2.030 178.925 176.870 0.042 0.000 1.081 319 L CA 1.257 56.078 54.840 -0.032 0.000 0.752 319 L CB -0.667 41.309 42.059 -0.139 0.000 0.896 319 L HN 0.339 nan 8.230 nan 0.000 0.433 320 N N -0.599 118.092 118.700 -0.016 0.000 2.515 320 N HA -0.006 4.734 4.740 -0.000 0.000 0.185 320 N C 0.604 176.045 175.510 -0.115 0.000 1.109 320 N CA 0.234 53.262 53.050 -0.037 0.000 0.903 320 N CB 0.190 38.671 38.487 -0.009 0.000 0.969 320 N HN 0.198 nan 8.380 nan 0.000 0.450 321 S N -0.397 115.183 115.700 -0.199 0.000 2.669 321 S HA 0.214 4.684 4.470 -0.000 0.000 0.270 321 S C 1.030 175.351 174.600 -0.465 0.000 1.225 321 S CA -0.521 57.423 58.200 -0.425 0.000 0.991 321 S CB 1.480 64.248 63.200 -0.720 0.000 0.987 321 S HN 0.055 nan 8.310 nan 0.000 0.552 322 S N 1.050 116.432 115.700 -0.531 0.000 2.743 322 S HA 0.332 4.802 4.470 -0.000 0.000 0.230 322 S C -0.462 174.083 174.600 -0.091 0.000 0.950 322 S CA -0.216 57.854 58.200 -0.217 0.000 0.976 322 S CB -0.899 62.328 63.200 0.044 0.000 0.779 322 S HN 0.561 nan 8.310 nan 0.000 0.487 323 F N -0.731 119.192 119.950 -0.044 0.000 2.770 323 F HA 0.713 5.240 4.527 -0.000 0.000 0.313 323 F C -1.273 174.432 175.800 -0.158 0.000 1.154 323 F CA -1.545 56.409 58.000 -0.077 0.000 0.923 323 F CB 0.550 39.566 39.000 0.026 0.000 1.301 323 F HN 0.055 nan 8.300 nan 0.000 0.449 324 D N -0.386 119.926 120.400 -0.146 0.000 3.145 324 D HA 0.177 4.817 4.640 -0.000 0.000 0.345 324 D C 0.214 175.791 176.300 -1.204 0.000 1.391 324 D CA -0.474 53.051 54.000 -0.791 0.000 0.930 324 D CB -0.172 39.831 40.800 -1.329 0.000 1.451 324 D HN 0.739 nan 8.370 nan 0.000 0.555 325 W N -0.105 120.235 121.300 -1.600 0.000 2.359 325 W HA 0.072 4.732 4.660 -0.000 0.000 0.275 325 W C 0.634 176.823 176.519 -0.551 0.000 1.217 325 W CA 0.883 57.391 57.345 -1.394 0.000 1.196 325 W CB -0.941 27.994 29.460 -0.875 0.000 1.129 325 W HN 0.101 nan 8.180 nan 0.000 0.566 326 N N 0.870 119.239 118.700 -0.552 0.000 2.314 326 N HA 0.284 5.024 4.740 -0.000 0.000 0.200 326 N C 0.925 176.341 175.510 -0.156 0.000 1.135 326 N CA 1.267 54.176 53.050 -0.235 0.000 0.835 326 N CB 0.214 38.558 38.487 -0.238 0.000 0.989 326 N HN 0.353 nan 8.380 nan 0.000 0.478 327 G N 0.284 108.995 108.800 -0.148 0.000 2.610 327 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.304 327 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.304 327 G C -0.355 174.555 174.900 0.016 0.000 1.309 327 G CA -0.388 44.697 45.100 -0.025 0.000 0.906 327 G HN 0.321 nan 8.290 nan 0.000 0.521 328 V N -0.547 119.415 119.914 0.081 0.000 2.686 328 V HA 0.894 5.014 4.120 -0.000 0.000 0.295 328 V C 0.434 176.570 176.094 0.069 0.000 1.055 328 V CA 0.808 63.191 62.300 0.137 0.000 1.050 328 V CB 0.976 32.904 31.823 0.174 0.000 0.984 328 V HN 1.799 nan 8.190 nan 0.000 0.482 329 R N 1.941 122.446 120.500 0.007 0.000 2.747 329 R HA 0.535 4.875 4.340 -0.000 0.000 0.272 329 R C -0.712 175.344 176.300 -0.408 0.000 1.032 329 R CA -0.876 55.138 56.100 -0.143 0.000 0.896 329 R CB 1.213 31.398 30.300 -0.193 0.000 1.253 329 R HN 0.776 nan 8.270 nan 0.000 0.461 330 E N 2.553 122.273 120.200 -0.800 0.000 2.376 330 E HA 0.165 4.514 4.350 -0.000 0.000 0.266 330 E C -1.814 174.397 176.600 -0.649 0.000 1.009 330 E CA -1.849 53.973 56.400 -0.963 0.000 0.902 330 E CB 0.768 30.020 29.700 -0.746 0.000 0.972 330 E HN 0.309 nan 8.360 nan 0.000 0.439 331 P HA 0.037 nan 4.420 nan 0.000 0.274 331 P C -0.837 176.116 177.300 -0.579 0.000 1.231 331 P CA 0.124 62.962 63.100 -0.437 0.000 0.790 331 P CB 0.436 31.946 31.700 -0.315 0.000 0.951 332 F N 0.032 119.822 119.950 -0.267 0.000 2.375 332 F HA 0.321 4.848 4.527 -0.000 0.000 0.317 332 F C 0.775 176.464 175.800 -0.186 0.000 1.124 332 F CA -0.463 57.412 58.000 -0.209 0.000 1.050 332 F CB 0.744 39.650 39.000 -0.157 0.000 1.314 332 F HN -0.046 nan 8.300 nan 0.000 0.511 333 V N 2.490 122.473 119.914 0.114 0.000 2.305 333 V HA 0.360 4.479 4.120 -0.000 0.000 0.275 333 V C -0.915 175.241 176.094 0.103 0.000 1.020 333 V CA -0.568 61.784 62.300 0.087 0.000 0.811 333 V CB 0.990 32.881 31.823 0.113 0.000 1.031 333 V HN 0.447 nan 8.190 nan 0.000 0.439 334 V N 4.017 123.978 119.914 0.078 0.000 2.407 334 V HA 0.713 4.833 4.120 -0.000 0.000 0.291 334 V C 0.482 176.619 176.094 0.072 0.000 1.018 334 V CA -0.684 61.641 62.300 0.041 0.000 0.842 334 V CB 1.748 33.550 31.823 -0.035 0.000 0.996 334 V HN 0.832 nan 8.190 nan 0.000 0.426 335 A N 3.338 126.245 122.820 0.145 0.000 2.328 335 A HA 0.638 4.958 4.320 -0.000 0.000 0.284 335 A C 0.611 178.172 177.584 -0.039 0.000 1.160 335 A CA -0.018 52.148 52.037 0.216 0.000 0.818 335 A CB 0.653 19.910 19.000 0.428 0.000 1.087 335 A HN 0.954 nan 8.150 nan 0.000 0.504 336 T N 0.757 114.975 114.554 -0.560 0.000 2.913 336 T HA 0.337 4.687 4.350 -0.000 0.000 0.297 336 T C 0.439 174.983 174.700 -0.260 0.000 1.029 336 T CA 0.679 62.448 62.100 -0.552 0.000 1.104 336 T CB 0.124 68.463 68.868 -0.882 0.000 0.964 336 T HN 0.861 nan 8.240 nan 0.000 0.532 337 E N 0.988 121.091 120.200 -0.162 0.000 3.170 337 E HA -0.277 4.073 4.350 -0.000 0.000 0.284 337 E C 0.330 176.938 176.600 0.013 0.000 0.967 337 E CA 0.689 57.053 56.400 -0.060 0.000 0.919 337 E CB -1.571 28.171 29.700 0.071 0.000 1.469 337 E HN 0.924 nan 8.360 nan 0.000 0.444 338 N N 0.616 119.332 118.700 0.026 0.000 2.721 338 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 338 N C -1.042 174.594 175.510 0.210 0.000 1.072 338 N CA 1.342 54.465 53.050 0.122 0.000 0.710 338 N CB -0.610 37.911 38.487 0.056 0.000 0.993 338 N HN 0.412 nan 8.380 nan 0.000 0.547 339 D N -0.169 120.398 120.400 0.278 0.000 2.455 339 D HA 0.187 4.827 4.640 -0.000 0.000 0.234 339 D C 1.331 177.792 176.300 0.269 0.000 1.224 339 D CA 0.613 54.786 54.000 0.288 0.000 0.999 339 D CB -0.077 40.993 40.800 0.449 0.000 1.072 339 D HN 0.391 nan 8.370 nan 0.000 0.514 340 S N 3.016 118.833 115.700 0.194 0.000 2.402 340 S HA -0.206 4.264 4.470 -0.000 0.000 0.233 340 S C 2.072 176.740 174.600 0.113 0.000 1.030 340 S CA 0.606 58.858 58.200 0.087 0.000 1.003 340 S CB -0.341 62.767 63.200 -0.153 0.000 0.813 340 S HN 0.559 nan 8.310 nan 0.000 0.477 341 L N 0.964 122.217 121.223 0.049 0.000 2.217 341 L HA 0.006 4.346 4.340 -0.000 0.000 0.211 341 L C 2.632 179.510 176.870 0.014 0.000 1.107 341 L CA 1.238 56.059 54.840 -0.031 0.000 0.783 341 L CB -0.675 41.300 42.059 -0.142 0.000 0.919 341 L HN 0.328 nan 8.230 nan 0.000 0.442 342 N N 0.250 118.982 118.700 0.054 0.000 2.300 342 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 342 N C 1.852 177.427 175.510 0.108 0.000 1.016 342 N CA 1.110 54.155 53.050 -0.008 0.000 0.876 342 N CB -0.091 38.270 38.487 -0.210 0.000 0.979 342 N HN 0.196 nan 8.380 nan 0.000 0.432 343 G N -0.115 108.825 108.800 0.233 0.000 2.418 343 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 343 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 343 G C 1.553 176.623 174.900 0.284 0.000 1.158 343 G CA 0.929 46.221 45.100 0.320 0.000 0.771 343 G HN 0.197 nan 8.290 nan 0.000 0.545 344 V N 1.504 121.564 119.914 0.243 0.000 2.343 344 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 344 V C 3.323 179.537 176.094 0.200 0.000 1.051 344 V CA 2.022 64.454 62.300 0.220 0.000 1.036 344 V CB -0.807 31.116 31.823 0.167 0.000 0.654 344 V HN 0.476 nan 8.190 nan 0.000 0.451 345 A N -0.705 122.213 122.820 0.164 0.000 1.933 345 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 345 A C 2.233 179.969 177.584 0.252 0.000 1.175 345 A CA 2.191 54.347 52.037 0.198 0.000 0.628 345 A CB -0.469 18.582 19.000 0.085 0.000 0.814 345 A HN 0.503 nan 8.150 nan 0.000 0.444 346 M N -0.885 118.836 119.600 0.201 0.000 2.117 346 M HA -0.071 4.409 4.480 -0.000 0.000 0.262 346 M C 2.237 178.681 176.300 0.239 0.000 1.065 346 M CA 1.286 56.712 55.300 0.210 0.000 1.114 346 M CB -0.373 32.343 32.600 0.193 0.000 1.361 346 M HN 0.459 nan 8.290 nan 0.000 0.408 347 L N 0.100 121.465 121.223 0.235 0.000 1.989 347 L HA -0.283 4.057 4.340 -0.000 0.000 0.211 347 L C 2.487 179.465 176.870 0.180 0.000 1.071 347 L CA 1.754 56.731 54.840 0.228 0.000 0.749 347 L CB -0.238 41.959 42.059 0.229 0.000 0.890 347 L HN 0.395 nan 8.230 nan 0.000 0.431 348 M N -1.056 118.638 119.600 0.157 0.000 2.080 348 M HA -0.178 4.302 4.480 -0.000 0.000 0.260 348 M C 2.169 178.421 176.300 -0.079 0.000 1.068 348 M CA 2.010 57.328 55.300 0.030 0.000 1.109 348 M CB -0.956 31.703 32.600 0.098 0.000 1.342 348 M HN 0.375 nan 8.290 nan 0.000 0.405 349 G N -1.093 107.796 108.800 0.148 0.000 2.446 349 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.217 349 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.217 349 G C 1.218 176.190 174.900 0.120 0.000 1.168 349 G CA 1.562 46.781 45.100 0.199 0.000 0.771 349 G HN 0.472 nan 8.290 nan 0.000 0.551 350 H N 0.278 119.393 119.070 0.076 0.000 2.321 350 H HA 0.013 4.568 4.556 -0.000 0.000 0.300 350 H C 2.637 177.988 175.328 0.038 0.000 1.087 350 H CA 1.819 57.902 56.048 0.059 0.000 1.319 350 H CB -0.017 29.784 29.762 0.064 0.000 1.379 350 H HN 0.210 nan 8.280 nan 0.000 0.501 351 Q N -0.036 119.680 119.800 -0.142 0.000 2.224 351 Q HA -0.059 4.281 4.340 -0.000 0.000 0.203 351 Q C 2.530 178.423 176.000 -0.178 0.000 0.970 351 Q CA 0.925 56.616 55.803 -0.187 0.000 0.865 351 Q CB 0.019 28.709 28.738 -0.081 0.000 0.922 351 Q HN 0.525 nan 8.270 nan 0.000 0.445 352 L N -0.104 121.012 121.223 -0.178 0.000 2.209 352 L HA -0.052 4.287 4.340 -0.000 0.000 0.207 352 L C 2.187 178.990 176.870 -0.113 0.000 1.094 352 L CA 1.562 56.291 54.840 -0.185 0.000 0.790 352 L CB -0.113 41.766 42.059 -0.299 0.000 0.932 352 L HN 0.268 nan 8.230 nan 0.000 0.447 353 T N -5.654 108.853 114.554 -0.079 0.000 2.955 353 T HA 0.244 4.594 4.350 -0.000 0.000 0.251 353 T C 1.456 176.139 174.700 -0.027 0.000 1.002 353 T CA 0.537 62.619 62.100 -0.029 0.000 0.970 353 T CB 0.896 69.770 68.868 0.010 0.000 1.091 353 T HN 0.301 nan 8.240 nan 0.000 0.495 354 G N 1.871 110.620 108.800 -0.085 0.000 2.148 354 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 354 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 354 G C 0.281 175.236 174.900 0.092 0.000 0.981 354 G CA 0.778 45.854 45.100 -0.039 0.000 0.670 354 G HN 1.231 nan 8.290 nan 0.000 0.528 355 T N -2.226 112.415 114.554 0.145 0.000 2.937 355 T HA 0.848 5.198 4.350 -0.000 0.000 0.283 355 T C 0.607 175.430 174.700 0.204 0.000 1.012 355 T CA 0.372 62.550 62.100 0.129 0.000 0.997 355 T CB 1.994 70.891 68.868 0.048 0.000 1.136 355 T HN 1.706 nan 8.240 nan 0.000 0.551 356 A N 1.331 124.199 122.820 0.080 0.000 2.407 356 A HA 0.537 4.857 4.320 -0.000 0.000 0.248 356 A C 0.139 177.771 177.584 0.080 0.000 1.082 356 A CA -0.599 51.451 52.037 0.022 0.000 0.785 356 A CB 0.038 19.025 19.000 -0.021 0.000 1.020 356 A HN 0.735 nan 8.150 nan 0.000 0.489 357 Q N 0.895 120.735 119.800 0.067 0.000 2.312 357 Q HA 0.445 4.785 4.340 -0.000 0.000 0.263 357 Q C -0.998 175.057 176.000 0.091 0.000 0.995 357 Q CA -0.617 55.250 55.803 0.106 0.000 0.853 357 Q CB 1.839 30.654 28.738 0.129 0.000 1.300 357 Q HN 0.421 nan 8.270 nan 0.000 0.448 358 V N 3.670 123.626 119.914 0.071 0.000 2.364 358 V HA 0.238 4.358 4.120 -0.000 0.000 0.272 358 V C -0.200 175.918 176.094 0.039 0.000 1.036 358 V CA -0.573 61.756 62.300 0.047 0.000 0.880 358 V CB 0.157 31.965 31.823 -0.025 0.000 0.991 358 V HN 0.585 nan 8.190 nan 0.000 0.460 359 F N 4.852 124.748 119.950 -0.091 0.000 2.427 359 F HA 0.670 5.197 4.527 -0.000 0.000 0.352 359 F C 0.390 176.069 175.800 -0.202 0.000 1.100 359 F CA -0.357 57.561 58.000 -0.136 0.000 1.191 359 F CB 0.762 39.674 39.000 -0.147 0.000 1.128 359 F HN 0.570 nan 8.300 nan 0.000 0.533 360 A N 4.606 127.361 122.820 -0.109 0.000 2.486 360 A HA 0.497 4.817 4.320 -0.000 0.000 0.300 360 A C -1.561 175.952 177.584 -0.117 0.000 1.048 360 A CA -0.859 51.114 52.037 -0.107 0.000 0.696 360 A CB 1.037 19.912 19.000 -0.208 0.000 1.278 360 A HN 0.679 nan 8.150 nan 0.000 0.405 361 D N 0.576 120.948 120.400 -0.047 0.000 2.225 361 D HA 0.429 5.069 4.640 -0.000 0.000 0.248 361 D C -0.309 175.962 176.300 -0.049 0.000 1.096 361 D CA 0.127 54.169 54.000 0.070 0.000 0.863 361 D CB 1.604 42.453 40.800 0.081 0.000 1.156 361 D HN 0.182 nan 8.370 nan 0.000 0.450 362 V N 4.524 124.414 119.914 -0.041 0.000 2.276 362 V HA 0.121 4.241 4.120 -0.000 0.000 0.249 362 V C 1.558 177.631 176.094 -0.035 0.000 1.160 362 V CA 0.019 62.251 62.300 -0.113 0.000 1.042 362 V CB 0.341 32.046 31.823 -0.197 0.000 1.224 362 V HN 0.554 nan 8.190 nan 0.000 0.496 363 R N 2.663 123.140 120.500 -0.037 0.000 2.066 363 R HA 0.061 4.401 4.340 -0.000 0.000 0.224 363 R C 0.194 176.523 176.300 0.049 0.000 1.122 363 R CA 1.068 57.169 56.100 0.002 0.000 0.974 363 R CB 0.412 30.689 30.300 -0.039 0.000 0.871 363 R HN 0.639 nan 8.270 nan 0.000 0.435 364 T N -0.582 114.041 114.554 0.115 0.000 2.956 364 T HA 0.206 4.556 4.350 -0.000 0.000 0.312 364 T C -1.904 172.891 174.700 0.160 0.000 1.151 364 T CA -0.557 61.590 62.100 0.079 0.000 1.024 364 T CB 1.718 70.598 68.868 0.020 0.000 1.140 364 T HN 0.126 nan 8.240 nan 0.000 0.473 365 Y N 1.191 121.463 120.300 -0.047 0.000 2.331 365 Y HA 0.620 5.170 4.550 -0.000 0.000 0.338 365 Y C -1.724 174.146 175.900 -0.050 0.000 0.976 365 Y CA -1.928 56.206 58.100 0.056 0.000 1.137 365 Y CB 0.792 39.294 38.460 0.069 0.000 1.172 365 Y HN 0.715 nan 8.280 nan 0.000 0.478 366 W N 6.222 127.218 121.300 -0.506 0.000 2.278 366 W HA 0.480 5.140 4.660 -0.000 0.000 0.317 366 W C -0.072 175.995 176.519 -0.753 0.000 1.030 366 W CA -0.625 56.437 57.345 -0.472 0.000 1.334 366 W CB 1.347 30.723 29.460 -0.141 0.000 1.215 366 W HN 0.715 nan 8.180 nan 0.000 0.405 367 S N 3.558 118.902 115.700 -0.594 0.000 2.603 367 S HA 0.282 4.752 4.470 -0.000 0.000 0.268 367 S C -1.337 173.265 174.600 0.004 0.000 1.317 367 S CA -1.082 56.965 58.200 -0.255 0.000 1.012 367 S CB 1.422 64.604 63.200 -0.030 0.000 0.926 367 S HN 0.349 nan 8.310 nan 0.000 0.539 368 P HA -0.107 nan 4.420 nan 0.000 0.218 368 P C 0.832 178.158 177.300 0.044 0.000 1.148 368 P CA 1.251 64.379 63.100 0.046 0.000 0.822 368 P CB 0.022 31.749 31.700 0.045 0.000 0.784 369 E N 0.536 120.767 120.200 0.052 0.000 2.051 369 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 369 E C 2.335 178.974 176.600 0.065 0.000 0.991 369 E CA 1.603 58.031 56.400 0.046 0.000 0.799 369 E CB -1.271 28.454 29.700 0.042 0.000 0.748 369 E HN 0.185 nan 8.360 nan 0.000 0.449 370 A N 0.988 123.862 122.820 0.090 0.000 1.933 370 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 370 A C 2.105 179.840 177.584 0.252 0.000 1.175 370 A CA 1.097 53.234 52.037 0.167 0.000 0.628 370 A CB -0.505 18.581 19.000 0.144 0.000 0.814 370 A HN 0.127 nan 8.150 nan 0.000 0.444 371 I N -0.200 120.483 120.570 0.188 0.000 2.113 371 I HA -0.239 3.931 4.170 -0.000 0.000 0.238 371 I C 2.469 178.584 176.117 -0.003 0.000 1.070 371 I CA 1.995 63.308 61.300 0.022 0.000 1.332 371 I CB -1.479 36.482 38.000 -0.066 0.000 1.044 371 I HN 0.546 nan 8.210 nan 0.000 0.402 372 E N 0.864 121.074 120.200 0.017 0.000 2.085 372 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 372 E C 2.434 179.047 176.600 0.022 0.000 0.994 372 E CA 1.422 57.830 56.400 0.013 0.000 0.801 372 E CB -0.052 29.654 29.700 0.009 0.000 0.743 372 E HN 0.261 nan 8.360 nan 0.000 0.453 373 R N 0.223 120.748 120.500 0.042 0.000 2.080 373 R HA -0.162 4.178 4.340 -0.000 0.000 0.236 373 R C 2.451 178.779 176.300 0.046 0.000 1.137 373 R CA 2.044 58.172 56.100 0.046 0.000 0.943 373 R CB -0.320 30.017 30.300 0.061 0.000 0.846 373 R HN 0.299 nan 8.270 nan 0.000 0.431 374 V N -1.878 118.076 119.914 0.065 0.000 2.951 374 V HA 0.019 4.139 4.120 -0.000 0.000 0.255 374 V C 1.627 177.714 176.094 -0.011 0.000 1.088 374 V CA 1.744 64.071 62.300 0.046 0.000 1.109 374 V CB 0.117 32.002 31.823 0.102 0.000 0.724 374 V HN 0.576 nan 8.190 nan 0.000 0.471 375 T N -4.867 109.668 114.554 -0.031 0.000 2.975 375 T HA 0.482 4.832 4.350 -0.000 0.000 0.261 375 T C 1.730 176.464 174.700 0.055 0.000 0.984 375 T CA 1.001 63.082 62.100 -0.031 0.000 0.911 375 T CB 0.673 69.465 68.868 -0.128 0.000 1.127 375 T HN 1.482 nan 8.240 nan 0.000 0.514 376 G N 1.178 109.999 108.800 0.035 0.000 2.234 376 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 376 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 376 G C -0.065 174.831 174.900 -0.007 0.000 0.987 376 G CA 0.294 45.404 45.100 0.016 0.000 0.625 376 G HN 0.770 nan 8.290 nan 0.000 0.532 377 H N 0.363 119.383 119.070 -0.083 0.000 2.562 377 H HA 0.624 5.180 4.556 -0.000 0.000 0.352 377 H C 0.453 175.731 175.328 -0.083 0.000 1.125 377 H CA 0.408 56.403 56.048 -0.089 0.000 1.379 377 H CB 1.284 30.976 29.762 -0.118 0.000 1.464 377 H HN 0.230 nan 8.280 nan 0.000 0.563 378 K N 2.145 122.544 120.400 -0.002 0.000 2.183 378 K HA 0.273 4.593 4.320 -0.000 0.000 0.274 378 K C -1.359 175.231 176.600 -0.017 0.000 1.009 378 K CA -0.652 55.621 56.287 -0.023 0.000 0.888 378 K CB 0.458 32.929 32.500 -0.048 0.000 1.078 378 K HN 0.297 nan 8.250 nan 0.000 0.459 379 L N 5.162 126.363 121.223 -0.036 0.000 2.331 379 L HA 0.344 4.684 4.340 -0.000 0.000 0.278 379 L C -0.146 176.680 176.870 -0.073 0.000 1.106 379 L CA 0.522 55.327 54.840 -0.057 0.000 0.824 379 L CB 0.780 42.802 42.059 -0.061 0.000 1.142 379 L HN 0.938 nan 8.230 nan 0.000 0.443 380 D N 1.633 121.989 120.400 -0.074 0.000 2.732 380 D HA 0.686 5.326 4.640 -0.000 0.000 0.292 380 D C 0.260 176.509 176.300 -0.084 0.000 1.135 380 D CA 0.021 53.970 54.000 -0.084 0.000 1.071 380 D CB 0.975 41.735 40.800 -0.066 0.000 1.457 380 D HN 0.719 nan 8.370 nan 0.000 0.547 381 G N -0.599 108.150 108.800 -0.086 0.000 2.552 381 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.265 381 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.265 381 G C 0.781 175.629 174.900 -0.087 0.000 1.234 381 G CA 0.287 45.334 45.100 -0.088 0.000 0.944 381 G HN 0.514 nan 8.290 nan 0.000 0.568 382 L N 0.500 121.665 121.223 -0.098 0.000 2.079 382 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 382 L C 3.412 180.296 176.870 0.023 0.000 1.081 382 L CA 3.026 57.824 54.840 -0.070 0.000 0.752 382 L CB -2.022 39.977 42.059 -0.100 0.000 0.896 382 L HN 1.114 nan 8.230 nan 0.000 0.433 383 A N -0.876 121.944 122.820 0.001 0.000 2.238 383 A HA -0.105 4.215 4.320 -0.000 0.000 0.208 383 A C 2.162 179.740 177.584 -0.010 0.000 1.177 383 A CA 0.453 52.503 52.037 0.021 0.000 0.804 383 A CB -0.573 18.412 19.000 -0.025 0.000 0.823 383 A HN 0.479 nan 8.150 nan 0.000 0.482 384 E N -0.276 119.877 120.200 -0.077 0.000 2.171 384 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 384 E C 0.903 177.342 176.600 -0.268 0.000 0.997 384 E CA 1.555 57.828 56.400 -0.213 0.000 0.810 384 E CB -0.138 29.354 29.700 -0.346 0.000 0.738 384 E HN 0.868 nan 8.360 nan 0.000 0.467 385 H N -1.425 117.697 119.070 0.087 0.000 2.586 385 H HA 0.380 4.936 4.556 -0.000 0.000 0.273 385 H C 0.281 175.726 175.328 0.195 0.000 0.997 385 H CA 0.129 56.254 56.048 0.127 0.000 1.177 385 H CB 1.365 31.205 29.762 0.131 0.000 1.471 385 H HN 0.274 nan 8.280 nan 0.000 0.538 386 G N 0.076 109.028 108.800 0.254 0.000 2.355 386 G HA2 0.045 4.005 3.960 -0.000 0.000 0.619 386 G HA3 0.045 4.005 3.960 -0.000 0.000 0.619 386 G C -1.643 173.432 174.900 0.292 0.000 1.337 386 G CA -0.699 44.577 45.100 0.292 0.000 0.993 386 G HN 0.149 nan 8.290 nan 0.000 0.599 387 I N -0.389 120.370 120.570 0.316 0.000 2.918 387 I HA 0.616 4.786 4.170 -0.000 0.000 0.301 387 I C -0.866 175.553 176.117 0.504 0.000 1.312 387 I CA -1.309 60.211 61.300 0.368 0.000 1.007 387 I CB 2.177 40.340 38.000 0.272 0.000 1.281 387 I HN 0.549 nan 8.210 nan 0.000 0.440 388 I N 4.973 125.857 120.570 0.523 0.000 2.378 388 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 388 I C -0.277 176.147 176.117 0.511 0.000 0.992 388 I CA -0.541 61.056 61.300 0.495 0.000 1.154 388 I CB 1.489 39.711 38.000 0.371 0.000 1.315 388 I HN 0.474 nan 8.210 nan 0.000 0.448 389 H N 7.367 126.641 119.070 0.340 0.000 2.846 389 H HA 0.413 4.969 4.556 -0.000 0.000 0.278 389 H C -1.077 174.212 175.328 -0.066 0.000 1.117 389 H CA -0.722 55.364 56.048 0.063 0.000 1.406 389 H CB 0.689 30.543 29.762 0.153 0.000 1.445 389 H HN 0.440 nan 8.280 nan 0.000 0.469 390 L N 8.092 129.250 121.223 -0.107 0.000 2.265 390 L HA 0.389 4.729 4.340 -0.000 0.000 0.289 390 L C -0.576 176.090 176.870 -0.340 0.000 1.033 390 L CA -0.571 54.130 54.840 -0.232 0.000 0.814 390 L CB 1.030 42.952 42.059 -0.228 0.000 1.203 390 L HN 0.585 nan 8.230 nan 0.000 0.423 391 I N 1.168 121.535 120.570 -0.338 0.000 2.571 391 I HA 0.329 4.499 4.170 -0.000 0.000 0.286 391 I C -0.602 175.404 176.117 -0.185 0.000 1.134 391 I CA -0.690 60.443 61.300 -0.279 0.000 1.052 391 I CB 1.752 39.582 38.000 -0.283 0.000 1.237 391 I HN 0.401 nan 8.210 nan 0.000 0.435 392 N N 3.062 121.628 118.700 -0.222 0.000 2.525 392 N HA 0.155 4.895 4.740 -0.000 0.000 0.271 392 N C 0.703 175.845 175.510 -0.613 0.000 1.194 392 N CA -0.187 52.695 53.050 -0.280 0.000 0.964 392 N CB 1.245 39.597 38.487 -0.226 0.000 1.126 392 N HN 0.661 nan 8.380 nan 0.000 0.452 393 S N 1.157 116.349 115.700 -0.847 0.000 3.361 393 S HA 0.278 4.748 4.470 -0.000 0.000 0.246 393 S C 1.139 174.663 174.600 -1.792 0.000 1.237 393 S CA 0.078 57.173 58.200 -1.842 0.000 1.240 393 S CB -1.103 61.472 63.200 -1.041 0.000 1.154 393 S HN 0.888 nan 8.310 nan 0.000 0.461 394 G N -0.033 107.847 108.800 -1.534 0.000 2.480 394 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.193 394 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.193 394 G C 0.046 174.685 174.900 -0.434 0.000 1.004 394 G CA -0.120 44.471 45.100 -0.848 0.000 0.696 394 G HN 1.498 nan 8.290 nan 0.000 0.478 395 S N -0.575 114.876 115.700 -0.415 0.000 2.595 395 S HA 1.026 5.496 4.470 -0.000 0.000 0.281 395 S C -0.491 173.979 174.600 -0.216 0.000 1.117 395 S CA 0.329 58.377 58.200 -0.253 0.000 0.873 395 S CB 2.664 65.742 63.200 -0.203 0.000 1.108 395 S HN 2.201 nan 8.310 nan 0.000 0.477 396 A N 0.586 123.355 122.820 -0.084 0.000 2.585 396 A HA 0.773 5.093 4.320 -0.000 0.000 0.299 396 A C -0.257 177.430 177.584 0.171 0.000 1.047 396 A CA -0.418 51.641 52.037 0.037 0.000 0.723 396 A CB 0.220 19.228 19.000 0.013 0.000 1.275 396 A HN 2.206 nan 8.150 nan 0.000 0.408 397 A N 1.591 124.485 122.820 0.123 0.000 2.566 397 A HA 0.397 4.717 4.320 -0.000 0.000 0.245 397 A C 1.181 178.797 177.584 0.053 0.000 1.056 397 A CA 0.378 52.444 52.037 0.049 0.000 0.757 397 A CB -0.457 18.546 19.000 0.006 0.000 0.979 397 A HN 1.274 nan 8.150 nan 0.000 0.508 398 L N 1.629 122.845 121.223 -0.012 0.000 2.187 398 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 398 L C 1.477 178.225 176.870 -0.203 0.000 1.100 398 L CA 1.582 56.374 54.840 -0.079 0.000 0.765 398 L CB -0.695 41.467 42.059 0.172 0.000 0.904 398 L HN 0.708 nan 8.230 nan 0.000 0.437 399 D N 0.640 120.992 120.400 -0.080 0.000 2.221 399 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 399 D C 2.167 178.391 176.300 -0.126 0.000 0.982 399 D CA 1.231 55.222 54.000 -0.015 0.000 0.857 399 D CB -0.308 40.504 40.800 0.020 0.000 0.934 399 D HN 0.340 nan 8.370 nan 0.000 0.475 400 G N 0.430 109.095 108.800 -0.224 0.000 2.501 400 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 400 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 400 G C 1.613 176.279 174.900 -0.390 0.000 1.114 400 G CA 1.173 46.172 45.100 -0.168 0.000 0.757 400 G HN 0.429 nan 8.290 nan 0.000 0.559 401 S N -1.040 114.144 115.700 -0.861 0.000 2.447 401 S HA -0.078 4.391 4.470 -0.000 0.000 0.233 401 S C 1.332 175.850 174.600 -0.135 0.000 1.006 401 S CA 0.741 58.603 58.200 -0.564 0.000 0.957 401 S CB -0.635 62.230 63.200 -0.559 0.000 0.773 401 S HN 0.739 nan 8.310 nan 0.000 0.507 402 C N 1.454 120.707 119.300 -0.080 0.000 4.454 402 C HA -0.086 4.374 4.460 -0.000 0.000 0.298 402 C C 1.424 176.404 174.990 -0.017 0.000 1.384 402 C CA 0.673 59.693 59.018 0.003 0.000 2.002 402 C CB -2.331 25.456 27.740 0.077 0.000 1.249 402 C HN 0.532 nan 8.230 nan 0.000 0.783 403 K N -0.090 120.284 120.400 -0.043 0.000 2.418 403 K HA 0.075 4.395 4.320 -0.000 0.000 0.195 403 K C 1.085 177.665 176.600 -0.033 0.000 1.035 403 K CA 0.625 56.889 56.287 -0.038 0.000 1.003 403 K CB 0.139 32.607 32.500 -0.053 0.000 0.793 403 K HN 0.746 nan 8.250 nan 0.000 0.494 404 Q N 0.678 120.462 119.800 -0.028 0.000 2.368 404 Q HA 0.178 4.518 4.340 -0.000 0.000 0.237 404 Q C -0.088 175.894 176.000 -0.032 0.000 0.987 404 Q CA -0.010 55.776 55.803 -0.029 0.000 0.896 404 Q CB 0.833 29.557 28.738 -0.022 0.000 1.241 404 Q HN -0.144 nan 8.270 nan 0.000 0.485 405 R N 1.305 121.784 120.500 -0.034 0.000 2.744 405 R HA 0.278 4.617 4.340 -0.000 0.000 0.279 405 R C -0.953 175.324 176.300 -0.038 0.000 0.977 405 R CA -0.741 55.339 56.100 -0.033 0.000 0.906 405 R CB 1.316 31.600 30.300 -0.027 0.000 1.197 405 R HN 0.779 nan 8.270 nan 0.000 0.463 406 D N -0.186 120.191 120.400 -0.038 0.000 2.511 406 D HA 0.163 4.803 4.640 -0.000 0.000 0.276 406 D C 0.590 176.872 176.300 -0.030 0.000 1.220 406 D CA -0.572 53.404 54.000 -0.040 0.000 1.077 406 D CB 0.166 40.940 40.800 -0.044 0.000 1.126 406 D HN 0.228 nan 8.370 nan 0.000 0.583 407 S N -0.627 115.057 115.700 -0.027 0.000 2.365 407 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 407 S C 1.400 175.989 174.600 -0.018 0.000 1.039 407 S CA 1.370 59.559 58.200 -0.020 0.000 1.033 407 S CB -0.505 62.685 63.200 -0.017 0.000 0.887 407 S HN 0.583 nan 8.310 nan 0.000 0.447 408 E N 0.334 120.522 120.200 -0.020 0.000 2.511 408 E HA 0.162 4.512 4.350 -0.000 0.000 0.196 408 E C 1.295 177.884 176.600 -0.018 0.000 1.066 408 E CA 0.267 56.656 56.400 -0.018 0.000 0.871 408 E CB -0.186 29.503 29.700 -0.018 0.000 0.863 408 E HN 0.624 nan 8.360 nan 0.000 0.520 409 G N 1.596 110.384 108.800 -0.020 0.000 2.176 409 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.253 409 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.253 409 G C 0.038 174.926 174.900 -0.020 0.000 0.979 409 G CA -0.183 44.906 45.100 -0.019 0.000 0.641 409 G HN 0.190 nan 8.290 nan 0.000 0.530 410 N N 2.038 120.724 118.700 -0.023 0.000 2.525 410 N HA 0.385 5.125 4.740 -0.000 0.000 0.271 410 N C -2.403 173.091 175.510 -0.027 0.000 1.194 410 N CA -0.963 52.073 53.050 -0.023 0.000 0.964 410 N CB 1.188 39.659 38.487 -0.027 0.000 1.126 410 N HN 0.207 nan 8.380 nan 0.000 0.452 411 P HA 0.076 nan 4.420 nan 0.000 0.271 411 P C -0.130 177.146 177.300 -0.041 0.000 1.216 411 P CA 0.219 63.308 63.100 -0.019 0.000 0.776 411 P CB 1.046 32.749 31.700 0.004 0.000 0.881 412 T N 1.410 115.937 114.554 -0.045 0.000 2.661 412 T HA 0.580 4.930 4.350 -0.000 0.000 0.305 412 T C -1.618 173.053 174.700 -0.048 0.000 1.441 412 T CA -0.594 61.462 62.100 -0.075 0.000 0.999 412 T CB 0.693 69.512 68.868 -0.082 0.000 1.650 412 T HN 0.295 nan 8.240 nan 0.000 0.489 413 M N 2.029 121.596 119.600 -0.055 0.000 2.327 413 M HA 0.536 5.016 4.480 -0.000 0.000 0.298 413 M C -0.909 175.355 176.300 -0.060 0.000 1.065 413 M CA -0.669 54.619 55.300 -0.020 0.000 0.916 413 M CB 2.324 34.947 32.600 0.039 0.000 1.630 413 M HN 0.371 nan 8.290 nan 0.000 0.442 414 K N 2.135 122.487 120.400 -0.080 0.000 2.350 414 K HA 0.698 5.018 4.320 -0.000 0.000 0.241 414 K C -2.739 173.706 176.600 -0.258 0.000 0.994 414 K CA -1.966 54.221 56.287 -0.167 0.000 0.839 414 K CB 1.474 33.870 32.500 -0.173 0.000 1.244 414 K HN 0.222 nan 8.250 nan 0.000 0.443 415 P HA -0.018 nan 4.420 nan 0.000 0.268 415 P C -0.176 176.649 177.300 -0.792 0.000 1.205 415 P CA 0.114 62.677 63.100 -0.896 0.000 0.771 415 P CB 0.246 30.809 31.700 -1.894 0.000 0.858 416 H N 1.576 120.385 119.070 -0.435 0.000 2.460 416 H HA -0.198 4.358 4.556 -0.000 0.000 0.297 416 H C 1.146 176.442 175.328 -0.054 0.000 1.103 416 H CA 1.318 57.280 56.048 -0.145 0.000 1.292 416 H CB -1.065 28.698 29.762 0.002 0.000 1.376 416 H HN 0.592 nan 8.280 nan 0.000 0.531 417 W N 0.979 121.985 121.300 -0.490 0.000 3.077 417 W HA 0.240 4.900 4.660 -0.000 0.000 0.245 417 W C 0.596 177.044 176.519 -0.119 0.000 1.316 417 W CA 0.041 57.221 57.345 -0.275 0.000 1.537 417 W CB 0.123 29.390 29.460 -0.321 0.000 1.131 417 W HN 0.190 nan 8.180 nan 0.000 0.695 418 E N 0.575 120.602 120.200 -0.288 0.000 2.583 418 E HA 0.205 4.555 4.350 -0.000 0.000 0.213 418 E C 0.061 176.601 176.600 -0.100 0.000 0.989 418 E CA -0.197 56.108 56.400 -0.158 0.000 0.991 418 E CB 0.400 29.948 29.700 -0.254 0.000 1.040 418 E HN 0.240 nan 8.360 nan 0.000 0.481 419 I N 2.403 122.930 120.570 -0.071 0.000 2.315 419 I HA 0.091 4.261 4.170 -0.000 0.000 0.291 419 I C 0.509 176.631 176.117 0.008 0.000 1.006 419 I CA -0.515 60.774 61.300 -0.018 0.000 1.265 419 I CB 1.273 39.294 38.000 0.037 0.000 1.387 419 I HN -0.025 nan 8.210 nan 0.000 0.475 420 S N 4.064 119.759 115.700 -0.008 0.000 2.632 420 S HA 0.153 4.623 4.470 -0.000 0.000 0.271 420 S C 0.665 175.252 174.600 -0.022 0.000 1.260 420 S CA -0.648 57.549 58.200 -0.005 0.000 1.010 420 S CB 1.878 65.071 63.200 -0.011 0.000 0.965 420 S HN 0.637 nan 8.310 nan 0.000 0.534 421 Q N 1.010 120.803 119.800 -0.011 0.000 2.248 421 Q HA -0.195 4.145 4.340 -0.000 0.000 0.208 421 Q C 1.988 177.954 176.000 -0.056 0.000 0.984 421 Q CA 2.010 57.799 55.803 -0.023 0.000 0.875 421 Q CB -0.546 28.197 28.738 0.008 0.000 0.910 421 Q HN 0.888 nan 8.270 nan 0.000 0.433 422 Q N -0.215 119.558 119.800 -0.045 0.000 1.993 422 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 422 Q C 2.080 178.028 176.000 -0.088 0.000 0.984 422 Q CA 1.653 57.425 55.803 -0.052 0.000 0.837 422 Q CB -0.200 28.517 28.738 -0.034 0.000 0.902 422 Q HN 0.511 nan 8.270 nan 0.000 0.423 423 E N 0.760 120.908 120.200 -0.087 0.000 2.118 423 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 423 E C 1.986 178.465 176.600 -0.203 0.000 0.992 423 E CA 0.959 57.297 56.400 -0.103 0.000 0.804 423 E CB -0.184 29.477 29.700 -0.064 0.000 0.741 423 E HN 0.380 nan 8.360 nan 0.000 0.458 424 A N 1.805 124.438 122.820 -0.313 0.000 1.877 424 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 424 A C 1.757 178.941 177.584 -0.665 0.000 1.186 424 A CA 1.861 53.413 52.037 -0.807 0.000 0.620 424 A CB -0.427 18.148 19.000 -0.709 0.000 0.822 424 A HN 0.112 nan 8.150 nan 0.000 0.443 425 D N 0.171 120.388 120.400 -0.306 0.000 2.144 425 D HA -0.072 4.568 4.640 -0.000 0.000 0.199 425 D C 2.189 178.411 176.300 -0.129 0.000 0.984 425 D CA 1.494 55.398 54.000 -0.160 0.000 0.834 425 D CB -0.501 40.254 40.800 -0.075 0.000 0.955 425 D HN 0.441 nan 8.370 nan 0.000 0.465 426 A N 0.449 123.193 122.820 -0.127 0.000 1.933 426 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 426 A C 2.519 180.055 177.584 -0.080 0.000 1.175 426 A CA 1.254 53.240 52.037 -0.085 0.000 0.628 426 A CB -0.871 18.085 19.000 -0.073 0.000 0.814 426 A HN 0.346 nan 8.150 nan 0.000 0.444 427 C N -1.204 118.031 119.300 -0.109 0.000 2.457 427 C HA 0.047 4.507 4.460 -0.000 0.000 0.278 427 C C 2.528 177.525 174.990 0.013 0.000 1.309 427 C CA 0.757 59.750 59.018 -0.040 0.000 1.735 427 C CB -1.362 26.431 27.740 0.087 0.000 1.992 427 C HN 0.659 nan 8.230 nan 0.000 0.493 428 L N 0.849 122.080 121.223 0.013 0.000 2.093 428 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 428 L C 2.741 179.623 176.870 0.020 0.000 1.085 428 L CA 1.535 56.428 54.840 0.090 0.000 0.755 428 L CB -0.484 41.623 42.059 0.080 0.000 0.904 428 L HN 0.336 nan 8.230 nan 0.000 0.435 429 A N -0.596 122.214 122.820 -0.016 0.000 2.067 429 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 429 A C 2.174 179.744 177.584 -0.023 0.000 1.158 429 A CA 1.335 53.360 52.037 -0.020 0.000 0.661 429 A CB -0.451 18.534 19.000 -0.024 0.000 0.801 429 A HN 0.450 nan 8.150 nan 0.000 0.452 430 A N -1.038 121.765 122.820 -0.029 0.000 2.251 430 A HA 0.334 4.654 4.320 -0.000 0.000 0.209 430 A C 0.874 178.448 177.584 -0.015 0.000 1.187 430 A CA 0.745 52.769 52.037 -0.021 0.000 0.823 430 A CB -0.248 18.731 19.000 -0.034 0.000 0.846 430 A HN 0.292 nan 8.150 nan 0.000 0.486 431 T N 0.834 115.347 114.554 -0.068 0.000 2.859 431 T HA 0.499 4.849 4.350 -0.000 0.000 0.281 431 T C -0.650 173.858 174.700 -0.321 0.000 1.005 431 T CA -0.390 61.596 62.100 -0.189 0.000 1.025 431 T CB 1.574 70.252 68.868 -0.317 0.000 0.977 431 T HN 0.382 nan 8.240 nan 0.000 0.458 432 E N 1.207 121.171 120.200 -0.393 0.000 2.210 432 E HA 0.285 4.635 4.350 -0.000 0.000 0.266 432 E C -1.258 175.048 176.600 -0.490 0.000 0.883 432 E CA -0.693 55.522 56.400 -0.309 0.000 0.761 432 E CB 1.654 31.295 29.700 -0.098 0.000 1.156 432 E HN 0.547 nan 8.360 nan 0.000 0.412 433 W N 2.861 124.033 121.300 -0.213 0.000 2.316 433 W HA 0.323 4.983 4.660 -0.000 0.000 0.308 433 W C -0.479 176.162 176.519 0.202 0.000 1.106 433 W CA -0.481 56.797 57.345 -0.112 0.000 1.262 433 W CB 0.707 29.909 29.460 -0.431 0.000 1.233 433 W HN 0.344 nan 8.180 nan 0.000 0.447 434 C N 5.067 124.587 119.300 0.367 0.000 2.376 434 C HA 0.512 4.972 4.460 -0.000 0.000 0.335 434 C C -1.853 173.338 174.990 0.335 0.000 1.229 434 C CA -1.877 57.342 59.018 0.336 0.000 1.867 434 C CB 1.241 29.079 27.740 0.164 0.000 2.319 434 C HN 0.356 nan 8.230 nan 0.000 0.515 435 P HA 0.207 nan 4.420 nan 0.000 0.268 435 P C -0.386 176.882 177.300 -0.054 0.000 1.205 435 P CA 0.406 63.462 63.100 -0.074 0.000 0.771 435 P CB 0.447 32.088 31.700 -0.098 0.000 0.858 436 A N 3.888 126.651 122.820 -0.095 0.000 2.425 436 A HA 0.231 4.551 4.320 -0.000 0.000 0.242 436 A C 0.290 177.929 177.584 0.092 0.000 1.077 436 A CA -0.333 51.721 52.037 0.027 0.000 0.781 436 A CB -0.447 18.532 19.000 -0.036 0.000 1.020 436 A HN 0.504 nan 8.150 nan 0.000 0.494 437 I N 1.757 122.498 120.570 0.285 0.000 2.452 437 I HA 0.007 4.177 4.170 -0.000 0.000 0.287 437 I C 1.370 177.696 176.117 0.347 0.000 1.079 437 I CA 0.175 61.643 61.300 0.281 0.000 1.387 437 I CB 0.468 38.704 38.000 0.393 0.000 1.404 437 I HN 0.971 nan 8.210 nan 0.000 0.522 438 H N 4.260 123.429 119.070 0.166 0.000 2.422 438 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 438 H C 1.619 177.014 175.328 0.111 0.000 1.098 438 H CA 1.921 58.079 56.048 0.184 0.000 1.315 438 H CB 0.370 30.308 29.762 0.294 0.000 1.382 438 H HN 0.576 nan 8.280 nan 0.000 0.523 439 E N -0.860 119.420 120.200 0.134 0.000 2.153 439 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 439 E C 1.281 177.603 176.600 -0.463 0.000 0.988 439 E CA 1.296 57.591 56.400 -0.175 0.000 0.811 439 E CB -0.142 29.382 29.700 -0.294 0.000 0.746 439 E HN 0.661 nan 8.360 nan 0.000 0.466 440 Y N -2.017 118.226 120.300 -0.094 0.000 2.464 440 Y HA 0.228 4.778 4.550 -0.000 0.000 0.288 440 Y C 0.351 175.884 175.900 -0.612 0.000 1.133 440 Y CA 0.082 57.951 58.100 -0.385 0.000 1.223 440 Y CB 0.424 38.590 38.460 -0.491 0.000 1.187 440 Y HN -0.131 nan 8.280 nan 0.000 0.539 441 F N 0.477 120.507 119.950 0.133 0.000 2.366 441 F HA 0.411 4.938 4.527 -0.000 0.000 0.357 441 F C 0.897 176.622 175.800 -0.126 0.000 1.107 441 F CA -1.029 56.999 58.000 0.047 0.000 1.208 441 F CB 0.610 39.675 39.000 0.109 0.000 1.464 441 F HN -0.175 nan 8.300 nan 0.000 0.501 442 R N 0.738 121.158 120.500 -0.133 0.000 2.193 442 R HA -0.088 4.251 4.340 -0.000 0.000 0.229 442 R C 2.111 178.293 176.300 -0.196 0.000 1.110 442 R CA 1.165 57.030 56.100 -0.391 0.000 0.988 442 R CB -0.184 29.951 30.300 -0.274 0.000 0.871 442 R HN 0.757 nan 8.270 nan 0.000 0.458 443 G N 0.028 108.813 108.800 -0.025 0.000 2.880 443 G HA2 0.297 4.257 3.960 -0.000 0.000 0.209 443 G HA3 0.297 4.257 3.960 -0.000 0.000 0.209 443 G C 0.574 175.521 174.900 0.079 0.000 1.157 443 G CA 0.321 45.440 45.100 0.032 0.000 0.779 443 G HN 0.564 nan 8.290 nan 0.000 0.539 444 G N -1.546 107.303 108.800 0.082 0.000 2.660 444 G HA2 0.464 4.424 3.960 -0.000 0.000 0.215 444 G HA3 0.464 4.424 3.960 -0.000 0.000 0.215 444 G C 0.201 175.107 174.900 0.010 0.000 1.345 444 G CA -0.073 45.052 45.100 0.041 0.000 0.877 444 G HN 2.015 nan 8.290 nan 0.000 0.549 445 G N -2.909 105.808 108.800 -0.138 0.000 2.369 445 G HA2 0.595 4.555 3.960 -0.000 0.000 0.293 445 G HA3 0.595 4.555 3.960 -0.000 0.000 0.293 445 G C -1.850 172.866 174.900 -0.307 0.000 1.301 445 G CA 0.093 45.119 45.100 -0.123 0.000 0.913 445 G HN 1.689 nan 8.290 nan 0.000 0.540 446 Y N 0.560 120.955 120.300 0.158 0.000 2.331 446 Y HA 0.628 5.178 4.550 -0.000 0.000 0.326 446 Y C 0.517 176.583 175.900 0.276 0.000 1.020 446 Y CA -0.677 57.584 58.100 0.269 0.000 1.136 446 Y CB 2.347 41.044 38.460 0.395 0.000 1.157 446 Y HN 0.588 nan 8.280 nan 0.000 0.444 447 S N 1.438 117.324 115.700 0.309 0.000 2.586 447 S HA 0.360 4.830 4.470 -0.000 0.000 0.274 447 S C -0.153 174.417 174.600 -0.050 0.000 1.281 447 S CA -0.935 57.336 58.200 0.118 0.000 1.035 447 S CB 0.743 64.028 63.200 0.141 0.000 0.962 447 S HN 0.600 nan 8.310 nan 0.000 0.512 448 S N 2.486 118.008 115.700 -0.297 0.000 2.415 448 S HA 0.364 4.834 4.470 -0.000 0.000 0.313 448 S C -0.281 174.019 174.600 -0.500 0.000 1.067 448 S CA -0.905 56.851 58.200 -0.740 0.000 1.099 448 S CB 0.186 62.980 63.200 -0.678 0.000 0.991 448 S HN 0.677 nan 8.310 nan 0.000 0.491 449 R N 3.059 123.302 120.500 -0.428 0.000 2.265 449 R HA 0.631 4.971 4.340 -0.000 0.000 0.319 449 R C -1.155 175.034 176.300 -0.186 0.000 1.006 449 R CA -0.622 55.302 56.100 -0.294 0.000 0.880 449 R CB 0.445 30.664 30.300 -0.135 0.000 1.077 449 R HN 0.731 nan 8.270 nan 0.000 0.454 450 F N 1.964 121.843 119.950 -0.118 0.000 2.686 450 F HA 0.468 4.994 4.527 -0.000 0.000 0.311 450 F C -2.175 173.608 175.800 -0.029 0.000 1.128 450 F CA -1.362 56.587 58.000 -0.085 0.000 0.946 450 F CB 1.208 40.147 39.000 -0.103 0.000 1.336 450 F HN 0.277 nan 8.300 nan 0.000 0.457 451 L N 2.409 123.831 121.223 0.332 0.000 2.343 451 L HA 0.501 4.841 4.340 -0.000 0.000 0.278 451 L C -0.594 176.441 176.870 0.275 0.000 0.996 451 L CA -0.429 54.539 54.840 0.213 0.000 0.831 451 L CB 1.919 44.008 42.059 0.051 0.000 1.232 451 L HN 0.920 nan 8.230 nan 0.000 0.413 452 T N 3.747 118.484 114.554 0.305 0.000 2.916 452 T HA 0.080 4.430 4.350 -0.000 0.000 0.303 452 T C 0.120 174.946 174.700 0.210 0.000 1.025 452 T CA -0.256 62.003 62.100 0.265 0.000 1.142 452 T CB 0.430 69.468 68.868 0.283 0.000 0.947 452 T HN 0.476 nan 8.240 nan 0.000 0.544 453 E N 1.557 121.859 120.200 0.170 0.000 2.413 453 E HA 0.214 4.564 4.350 -0.000 0.000 0.263 453 E C 0.867 177.578 176.600 0.184 0.000 1.015 453 E CA -0.171 56.310 56.400 0.135 0.000 0.916 453 E CB 0.660 30.413 29.700 0.087 0.000 0.947 453 E HN 0.742 nan 8.360 nan 0.000 0.440 454 G N 0.011 108.900 108.800 0.148 0.000 2.599 454 G HA2 0.380 4.339 3.960 -0.000 0.000 0.264 454 G HA3 0.380 4.339 3.960 -0.000 0.000 0.264 454 G C 0.792 175.776 174.900 0.140 0.000 1.200 454 G CA -0.016 45.186 45.100 0.170 0.000 0.896 454 G HN 0.677 nan 8.290 nan 0.000 0.536 455 G N -2.197 106.695 108.800 0.153 0.000 2.155 455 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.257 455 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.257 455 G C 0.208 175.202 174.900 0.156 0.000 0.983 455 G CA 0.420 45.585 45.100 0.108 0.000 0.676 455 G HN 1.272 nan 8.290 nan 0.000 0.528 456 V N 2.587 122.619 119.914 0.196 0.000 2.407 456 V HA 0.465 4.584 4.120 -0.000 0.000 0.278 456 V C -1.334 174.771 176.094 0.019 0.000 1.037 456 V CA -1.661 60.658 62.300 0.033 0.000 0.900 456 V CB 1.571 33.339 31.823 -0.092 0.000 0.983 456 V HN 0.221 nan 8.190 nan 0.000 0.459 457 P HA 0.305 nan 4.420 nan 0.000 0.271 457 P C -1.162 175.910 177.300 -0.380 0.000 1.220 457 P CA 0.105 63.004 63.100 -0.335 0.000 0.768 457 P CB 0.596 31.889 31.700 -0.680 0.000 0.848 458 F N 0.589 120.594 119.950 0.092 0.000 2.603 458 F HA 0.444 4.971 4.527 -0.000 0.000 0.317 458 F C 0.419 176.361 175.800 0.236 0.000 1.066 458 F CA -0.314 57.798 58.000 0.186 0.000 0.941 458 F CB 2.169 41.312 39.000 0.240 0.000 1.291 458 F HN 0.069 nan 8.300 nan 0.000 0.472 459 T N 2.976 117.762 114.554 0.387 0.000 2.847 459 T HA 0.436 4.786 4.350 -0.000 0.000 0.291 459 T C -0.709 174.004 174.700 0.022 0.000 0.998 459 T CA -0.457 61.757 62.100 0.191 0.000 0.967 459 T CB 1.040 70.004 68.868 0.160 0.000 0.954 459 T HN 0.540 nan 8.240 nan 0.000 0.441 460 M N 4.115 123.667 119.600 -0.080 0.000 2.300 460 M HA 0.579 5.059 4.480 -0.000 0.000 0.348 460 M C -0.183 176.116 176.300 -0.001 0.000 1.151 460 M CA -0.179 54.989 55.300 -0.221 0.000 1.046 460 M CB 0.881 33.126 32.600 -0.593 0.000 1.647 460 M HN 0.787 nan 8.290 nan 0.000 0.451 461 T N 1.555 116.114 114.554 0.008 0.000 2.865 461 T HA 0.891 5.241 4.350 -0.000 0.000 0.294 461 T C -1.113 173.685 174.700 0.163 0.000 1.119 461 T CA -0.988 61.121 62.100 0.016 0.000 1.007 461 T CB 2.034 70.609 68.868 -0.488 0.000 1.225 461 T HN 0.802 nan 8.240 nan 0.000 0.515 462 R N 0.032 120.499 120.500 -0.055 0.000 2.644 462 R HA 0.631 4.971 4.340 -0.000 0.000 0.257 462 R C -2.434 173.722 176.300 -0.241 0.000 1.082 462 R CA -0.576 55.438 56.100 -0.142 0.000 0.927 462 R CB 1.471 31.593 30.300 -0.296 0.000 1.258 462 R HN 0.726 nan 8.270 nan 0.000 0.459 463 V N 4.815 124.612 119.914 -0.195 0.000 2.495 463 V HA 0.652 4.772 4.120 -0.000 0.000 0.298 463 V C -0.692 175.222 176.094 -0.299 0.000 1.031 463 V CA -0.779 61.383 62.300 -0.230 0.000 0.871 463 V CB 1.986 33.705 31.823 -0.172 0.000 0.988 463 V HN 0.778 nan 8.190 nan 0.000 0.432 464 N N 3.749 122.243 118.700 -0.344 0.000 2.262 464 N HA 0.605 5.345 4.740 -0.000 0.000 0.295 464 N C -1.183 174.086 175.510 -0.401 0.000 1.161 464 N CA -0.496 52.349 53.050 -0.342 0.000 0.767 464 N CB 2.958 41.266 38.487 -0.299 0.000 1.499 464 N HN 0.462 nan 8.380 nan 0.000 0.476 465 I N 2.147 122.483 120.570 -0.389 0.000 2.330 465 I HA 0.309 4.479 4.170 -0.000 0.000 0.289 465 I C -0.369 175.596 176.117 -0.254 0.000 1.001 465 I CA -0.593 60.464 61.300 -0.406 0.000 1.193 465 I CB 0.994 38.721 38.000 -0.455 0.000 1.345 465 I HN 0.213 nan 8.210 nan 0.000 0.461 466 I N 6.763 127.206 120.570 -0.212 0.000 2.307 466 I HA 0.218 4.388 4.170 -0.000 0.000 0.289 466 I C 0.415 176.474 176.117 -0.097 0.000 1.021 466 I CA -0.719 60.502 61.300 -0.132 0.000 1.224 466 I CB 1.024 38.965 38.000 -0.098 0.000 1.376 466 I HN 0.579 nan 8.210 nan 0.000 0.470 467 K N 4.545 124.900 120.400 -0.074 0.000 2.484 467 K HA 0.220 4.540 4.320 -0.000 0.000 0.280 467 K C 1.149 177.738 176.600 -0.019 0.000 1.013 467 K CA 1.192 57.454 56.287 -0.041 0.000 1.029 467 K CB 0.290 32.772 32.500 -0.030 0.000 0.902 467 K HN 0.922 nan 8.250 nan 0.000 0.481 468 G N 3.157 111.959 108.800 0.004 0.000 2.195 468 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.246 468 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.246 468 G C 0.372 175.291 174.900 0.032 0.000 0.984 468 G CA 0.272 45.384 45.100 0.019 0.000 0.633 468 G HN 0.601 nan 8.290 nan 0.000 0.525 469 L N -0.981 120.256 121.223 0.025 0.000 2.713 469 L HA 0.552 4.892 4.340 -0.000 0.000 0.223 469 L C 1.482 178.374 176.870 0.037 0.000 1.040 469 L CA 1.472 56.341 54.840 0.047 0.000 0.894 469 L CB 0.565 42.647 42.059 0.039 0.000 1.361 469 L HN 1.432 nan 8.230 nan 0.000 0.490 470 G N 0.781 109.551 108.800 -0.049 0.000 2.428 470 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.202 470 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.202 470 G C -2.865 171.825 174.900 -0.350 0.000 1.247 470 G CA -0.334 44.657 45.100 -0.182 0.000 1.020 470 G HN 0.087 nan 8.290 nan 0.000 0.529 471 P HA 0.545 nan 4.420 nan 0.000 0.278 471 P C -0.121 176.983 177.300 -0.325 0.000 1.238 471 P CA 0.219 62.971 63.100 -0.579 0.000 0.794 471 P CB 1.623 32.818 31.700 -0.842 0.000 0.955 472 V N 0.379 120.125 119.914 -0.281 0.000 3.078 472 V HA 0.684 4.804 4.120 -0.000 0.000 0.311 472 V C -0.993 174.988 176.094 -0.189 0.000 1.138 472 V CA -1.226 60.962 62.300 -0.186 0.000 1.007 472 V CB 1.932 33.679 31.823 -0.127 0.000 1.045 472 V HN 0.404 nan 8.190 nan 0.000 0.432 473 L N 2.306 123.449 121.223 -0.132 0.000 2.346 473 L HA 0.681 5.021 4.340 -0.000 0.000 0.276 473 L C -0.320 176.471 176.870 -0.132 0.000 1.006 473 L CA 0.034 54.801 54.840 -0.122 0.000 0.817 473 L CB 1.936 43.976 42.059 -0.032 0.000 1.272 473 L HN 0.913 nan 8.230 nan 0.000 0.421 474 Q N 5.377 125.036 119.800 -0.235 0.000 2.312 474 Q HA 0.682 5.022 4.340 -0.000 0.000 0.263 474 Q C -1.356 174.591 176.000 -0.088 0.000 0.995 474 Q CA -0.557 55.089 55.803 -0.262 0.000 0.853 474 Q CB 2.803 31.063 28.738 -0.797 0.000 1.300 474 Q HN 0.600 nan 8.270 nan 0.000 0.448 475 I N 0.879 121.524 120.570 0.125 0.000 2.730 475 I HA 0.728 4.898 4.170 -0.000 0.000 0.298 475 I C -1.048 175.289 176.117 0.368 0.000 1.089 475 I CA -0.921 60.480 61.300 0.168 0.000 1.041 475 I CB 2.315 40.355 38.000 0.067 0.000 1.235 475 I HN 0.652 nan 8.210 nan 0.000 0.423 476 A N 4.597 127.610 122.820 0.321 0.000 2.611 476 A HA 0.487 4.807 4.320 -0.000 0.000 0.282 476 A C -0.843 176.893 177.584 0.252 0.000 1.114 476 A CA -0.577 51.689 52.037 0.382 0.000 0.800 476 A CB 0.600 19.918 19.000 0.530 0.000 1.325 476 A HN 0.717 nan 8.150 nan 0.000 0.411 477 E N 0.771 120.991 120.200 0.034 0.000 2.343 477 E HA 0.600 4.950 4.350 -0.000 0.000 0.269 477 E C 0.692 177.176 176.600 -0.193 0.000 1.047 477 E CA 0.435 56.754 56.400 -0.135 0.000 0.874 477 E CB 1.570 30.916 29.700 -0.590 0.000 1.033 477 E HN 0.881 nan 8.360 nan 0.000 0.409 478 G N 1.423 110.101 108.800 -0.203 0.000 2.510 478 G HA2 0.308 4.268 3.960 -0.000 0.000 0.277 478 G HA3 0.308 4.268 3.960 -0.000 0.000 0.277 478 G C -1.870 172.755 174.900 -0.459 0.000 1.223 478 G CA -0.752 44.003 45.100 -0.575 0.000 0.887 478 G HN 0.436 nan 8.290 nan 0.000 0.485 479 W N 0.493 121.811 121.300 0.030 0.000 3.167 479 W HA 0.549 5.209 4.660 -0.000 0.000 0.324 479 W C 0.036 176.721 176.519 0.277 0.000 1.230 479 W CA -0.493 56.983 57.345 0.218 0.000 1.184 479 W CB 1.836 31.365 29.460 0.115 0.000 1.414 479 W HN 0.807 nan 8.180 nan 0.000 0.551 480 S N 0.871 116.979 115.700 0.680 0.000 2.565 480 S HA 0.595 5.065 4.470 -0.000 0.000 0.274 480 S C -0.429 174.412 174.600 0.401 0.000 1.309 480 S CA -0.648 57.896 58.200 0.573 0.000 1.043 480 S CB 1.451 65.015 63.200 0.608 0.000 0.939 480 S HN 0.465 nan 8.310 nan 0.000 0.504 481 V N -0.382 119.745 119.914 0.354 0.000 2.919 481 V HA 0.693 4.813 4.120 -0.000 0.000 0.316 481 V C -0.493 175.718 176.094 0.195 0.000 1.077 481 V CA -1.004 61.429 62.300 0.221 0.000 0.977 481 V CB 1.571 33.485 31.823 0.151 0.000 1.039 481 V HN 1.045 nan 8.190 nan 0.000 0.441 482 E N 2.303 122.553 120.200 0.083 0.000 2.133 482 E HA 0.585 4.934 4.350 -0.000 0.000 0.274 482 E C -1.291 175.266 176.600 -0.073 0.000 0.930 482 E CA -0.699 55.720 56.400 0.032 0.000 0.770 482 E CB 1.562 31.274 29.700 0.020 0.000 1.104 482 E HN 0.794 nan 8.360 nan 0.000 0.403 483 L N 5.878 127.004 121.223 -0.163 0.000 2.343 483 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 483 L C -1.874 174.876 176.870 -0.200 0.000 1.056 483 L CA -2.249 52.429 54.840 -0.271 0.000 0.804 483 L CB 1.152 42.900 42.059 -0.517 0.000 1.203 483 L HN 0.514 nan 8.230 nan 0.000 0.440 484 P HA 0.022 nan 4.420 nan 0.000 0.264 484 P C -0.227 176.973 177.300 -0.167 0.000 1.193 484 P CA -0.415 62.580 63.100 -0.175 0.000 0.763 484 P CB 0.626 32.200 31.700 -0.211 0.000 0.810 485 K N 3.495 123.838 120.400 -0.094 0.000 2.097 485 K HA -0.316 4.004 4.320 -0.000 0.000 0.223 485 K C 1.365 177.940 176.600 -0.041 0.000 1.049 485 K CA 2.659 58.921 56.287 -0.042 0.000 0.956 485 K CB -1.867 30.618 32.500 -0.025 0.000 0.746 485 K HN 0.574 nan 8.250 nan 0.000 0.461 486 D N 0.898 121.239 120.400 -0.099 0.000 2.144 486 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 486 D C 1.950 178.140 176.300 -0.184 0.000 0.978 486 D CA 1.439 55.372 54.000 -0.111 0.000 0.833 486 D CB -0.473 40.271 40.800 -0.093 0.000 0.961 486 D HN 0.154 nan 8.370 nan 0.000 0.470 487 V N 1.281 121.010 119.914 -0.309 0.000 2.295 487 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 487 V C 2.654 178.535 176.094 -0.354 0.000 1.049 487 V CA 2.250 64.315 62.300 -0.392 0.000 1.024 487 V CB -1.079 30.425 31.823 -0.532 0.000 0.648 487 V HN 0.340 nan 8.190 nan 0.000 0.447 488 H N 0.481 119.340 119.070 -0.351 0.000 2.352 488 H HA -0.193 4.363 4.556 -0.000 0.000 0.299 488 H C 2.056 177.320 175.328 -0.106 0.000 1.097 488 H CA 2.207 58.107 56.048 -0.247 0.000 1.311 488 H CB -0.232 29.468 29.762 -0.102 0.000 1.377 488 H HN 0.421 nan 8.280 nan 0.000 0.504 489 D N 0.206 120.500 120.400 -0.176 0.000 2.117 489 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 489 D C 2.257 178.452 176.300 -0.175 0.000 0.987 489 D CA 1.100 55.001 54.000 -0.164 0.000 0.829 489 D CB 0.023 40.792 40.800 -0.052 0.000 0.961 489 D HN 0.383 nan 8.370 nan 0.000 0.460 490 I N 1.267 121.727 120.570 -0.182 0.000 2.127 490 I HA -0.225 3.945 4.170 -0.000 0.000 0.241 490 I C 2.664 178.681 176.117 -0.166 0.000 1.075 490 I CA 0.896 62.102 61.300 -0.156 0.000 1.334 490 I CB -1.303 36.590 38.000 -0.177 0.000 1.040 490 I HN 0.050 nan 8.210 nan 0.000 0.405 491 L N 0.346 121.399 121.223 -0.283 0.000 2.017 491 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 491 L C 2.389 179.231 176.870 -0.045 0.000 1.073 491 L CA 1.765 56.455 54.840 -0.250 0.000 0.745 491 L CB -0.911 40.820 42.059 -0.547 0.000 0.894 491 L HN 0.310 nan 8.230 nan 0.000 0.432 492 N N 1.121 119.728 118.700 -0.154 0.000 2.120 492 N HA -0.220 4.519 4.740 -0.000 0.000 0.188 492 N C 1.798 177.278 175.510 -0.049 0.000 1.024 492 N CA 1.659 54.642 53.050 -0.112 0.000 0.852 492 N CB -0.052 38.222 38.487 -0.356 0.000 1.003 492 N HN 0.385 nan 8.380 nan 0.000 0.424 493 K N -0.270 120.090 120.400 -0.068 0.000 2.211 493 K HA -0.057 4.263 4.320 -0.000 0.000 0.203 493 K C 2.120 178.717 176.600 -0.005 0.000 1.050 493 K CA 0.855 57.120 56.287 -0.035 0.000 0.945 493 K CB -0.130 32.350 32.500 -0.034 0.000 0.732 493 K HN 0.060 nan 8.250 nan 0.000 0.451 494 R N 0.505 121.021 120.500 0.026 0.000 2.200 494 R HA 0.014 4.354 4.340 -0.000 0.000 0.208 494 R C 0.843 177.202 176.300 0.099 0.000 1.033 494 R CA 1.240 57.386 56.100 0.076 0.000 1.000 494 R CB 0.186 30.566 30.300 0.134 0.000 0.906 494 R HN 0.320 nan 8.270 nan 0.000 0.462 495 T N -0.840 113.776 114.554 0.103 0.000 3.608 495 T HA 0.157 4.507 4.350 -0.000 0.000 0.213 495 T C 0.007 174.669 174.700 -0.063 0.000 0.897 495 T CA 0.152 62.312 62.100 0.099 0.000 1.533 495 T CB 0.143 69.174 68.868 0.272 0.000 1.504 495 T HN 0.091 nan 8.240 nan 0.000 0.446 496 N N 0.619 119.250 118.700 -0.116 0.000 2.839 496 N HA 0.208 4.948 4.740 -0.000 0.000 0.230 496 N C 0.721 176.062 175.510 -0.281 0.000 1.388 496 N CA -0.049 52.766 53.050 -0.391 0.000 0.747 496 N CB 1.069 39.062 38.487 -0.822 0.000 1.411 496 N HN 0.257 nan 8.380 nan 0.000 0.556 497 S N -1.296 114.297 115.700 -0.178 0.000 2.440 497 S HA -0.214 4.256 4.470 -0.000 0.000 0.240 497 S C 1.705 176.256 174.600 -0.082 0.000 1.014 497 S CA 1.667 59.812 58.200 -0.092 0.000 0.980 497 S CB -0.527 62.637 63.200 -0.060 0.000 0.775 497 S HN 0.571 nan 8.310 nan 0.000 0.499 498 T N -3.427 111.023 114.554 -0.174 0.000 3.144 498 T HA 0.238 4.588 4.350 -0.000 0.000 0.249 498 T C -0.148 174.628 174.700 0.127 0.000 1.089 498 T CA -0.644 61.420 62.100 -0.059 0.000 0.989 498 T CB -0.337 68.499 68.868 -0.053 0.000 0.992 498 T HN 0.394 nan 8.240 nan 0.000 0.540 499 W N 2.550 123.781 121.300 -0.116 0.000 2.639 499 W HA 0.512 5.172 4.660 -0.000 0.000 0.347 499 W C -2.651 173.703 176.519 -0.276 0.000 1.067 499 W CA -3.494 53.735 57.345 -0.194 0.000 1.218 499 W CB 0.464 29.821 29.460 -0.172 0.000 1.393 499 W HN -0.147 nan 8.180 nan 0.000 0.557 500 P HA 0.073 nan 4.420 nan 0.000 0.267 500 P C -0.244 176.846 177.300 -0.351 0.000 1.205 500 P CA 0.388 63.137 63.100 -0.584 0.000 0.765 500 P CB 1.105 32.159 31.700 -1.076 0.000 0.828 501 T N 2.499 116.901 114.554 -0.253 0.000 2.856 501 T HA 0.529 4.879 4.350 -0.000 0.000 0.283 501 T C -0.456 174.151 174.700 -0.156 0.000 1.008 501 T CA -0.188 61.814 62.100 -0.164 0.000 0.997 501 T CB 1.100 69.951 68.868 -0.029 0.000 0.992 501 T HN 0.296 nan 8.240 nan 0.000 0.454 502 T N 2.374 116.789 114.554 -0.231 0.000 3.031 502 T HA 0.328 4.678 4.350 -0.000 0.000 0.305 502 T C -1.196 173.431 174.700 -0.122 0.000 0.985 502 T CA -0.674 61.362 62.100 -0.106 0.000 1.008 502 T CB 0.538 69.346 68.868 -0.101 0.000 1.005 502 T HN 0.503 nan 8.240 nan 0.000 0.444 503 W N 3.236 124.678 121.300 0.236 0.000 2.331 503 W HA 0.649 5.309 4.660 -0.000 0.000 0.306 503 W C -0.328 176.382 176.519 0.317 0.000 1.162 503 W CA -0.844 56.646 57.345 0.242 0.000 1.232 503 W CB 0.633 30.176 29.460 0.138 0.000 1.235 503 W HN 0.549 nan 8.180 nan 0.000 0.479 504 F N 3.338 123.496 119.950 0.346 0.000 2.482 504 F HA 0.746 5.273 4.527 -0.000 0.000 0.331 504 F C -0.457 175.524 175.800 0.302 0.000 1.115 504 F CA -1.328 56.834 58.000 0.269 0.000 0.955 504 F CB 1.160 40.231 39.000 0.118 0.000 1.136 504 F HN 0.325 nan 8.300 nan 0.000 0.452 505 A N 8.088 130.711 122.820 -0.329 0.000 2.310 505 A HA 0.660 4.980 4.320 -0.000 0.000 0.304 505 A C -2.931 174.370 177.584 -0.470 0.000 1.231 505 A CA -1.702 50.231 52.037 -0.173 0.000 0.799 505 A CB 0.523 19.591 19.000 0.113 0.000 1.162 505 A HN 0.461 nan 8.150 nan 0.000 0.486 506 P HA 0.177 nan 4.420 nan 0.000 0.279 506 P C -0.478 176.880 177.300 0.098 0.000 1.239 506 P CA -0.511 62.493 63.100 -0.160 0.000 0.789 506 P CB 0.885 32.688 31.700 0.171 0.000 0.933 507 R N 3.746 124.266 120.500 0.033 0.000 2.401 507 R HA 0.220 4.560 4.340 -0.000 0.000 0.299 507 R C -0.357 176.029 176.300 0.143 0.000 1.064 507 R CA -0.256 55.938 56.100 0.157 0.000 1.000 507 R CB -0.204 30.063 30.300 -0.055 0.000 0.973 507 R HN 0.514 nan 8.270 nan 0.000 0.438 508 L N 3.774 125.096 121.223 0.164 0.000 2.357 508 L HA 0.249 4.589 4.340 -0.000 0.000 0.273 508 L C 1.555 178.475 176.870 0.083 0.000 1.080 508 L CA -0.333 54.598 54.840 0.152 0.000 0.803 508 L CB 1.803 43.895 42.059 0.055 0.000 1.174 508 L HN 0.831 nan 8.230 nan 0.000 0.443 509 T N -3.417 111.200 114.554 0.106 0.000 2.985 509 T HA 0.233 4.583 4.350 -0.000 0.000 0.254 509 T C 1.189 175.921 174.700 0.054 0.000 1.021 509 T CA 0.402 62.529 62.100 0.046 0.000 0.957 509 T CB 0.743 69.613 68.868 0.002 0.000 1.047 509 T HN 0.931 nan 8.240 nan 0.000 0.511 510 G N 1.447 110.289 108.800 0.071 0.000 2.225 510 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.254 510 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.254 510 G C -0.085 174.849 174.900 0.056 0.000 0.988 510 G CA 0.237 45.365 45.100 0.047 0.000 0.625 510 G HN 0.708 nan 8.290 nan 0.000 0.527 511 K N -0.073 120.375 120.400 0.079 0.000 2.318 511 K HA 0.609 4.929 4.320 -0.000 0.000 0.249 511 K C 1.081 177.742 176.600 0.102 0.000 0.942 511 K CA -0.161 56.170 56.287 0.072 0.000 0.808 511 K CB 1.912 34.445 32.500 0.054 0.000 1.189 511 K HN 1.209 nan 8.250 nan 0.000 0.428 512 G N 2.592 111.430 108.800 0.063 0.000 2.596 512 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.295 512 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.295 512 G C -1.755 173.147 174.900 0.004 0.000 1.240 512 G CA -0.127 45.001 45.100 0.046 0.000 0.985 512 G HN 0.542 nan 8.290 nan 0.000 0.555 513 P HA 0.143 nan 4.420 nan 0.000 0.228 513 P C 0.955 177.971 177.300 -0.473 0.000 1.151 513 P CA 1.005 63.936 63.100 -0.282 0.000 0.770 513 P CB -0.091 31.371 31.700 -0.396 0.000 0.786 514 F N -1.722 118.227 119.950 -0.001 0.000 2.819 514 F HA 0.185 4.712 4.527 -0.000 0.000 0.294 514 F C 1.713 177.510 175.800 -0.005 0.000 1.166 514 F CA 0.210 58.211 58.000 0.001 0.000 1.374 514 F CB -0.712 38.284 39.000 -0.006 0.000 0.956 514 F HN -0.201 nan 8.300 nan 0.000 0.509 515 T N -0.435 114.157 114.554 0.064 0.000 2.851 515 T HA -0.044 4.305 4.350 -0.000 0.000 0.262 515 T C 0.210 174.930 174.700 0.033 0.000 1.043 515 T CA 1.424 63.553 62.100 0.048 0.000 1.140 515 T CB -0.232 68.655 68.868 0.032 0.000 0.872 515 T HN 0.422 nan 8.240 nan 0.000 0.446 516 D N -1.619 118.798 120.400 0.029 0.000 2.643 516 D HA 0.361 5.001 4.640 -0.000 0.000 0.283 516 D C 0.666 176.988 176.300 0.037 0.000 1.242 516 D CA -0.776 53.253 54.000 0.049 0.000 0.863 516 D CB 0.801 41.650 40.800 0.083 0.000 1.382 516 D HN -0.193 nan 8.370 nan 0.000 0.444 517 V N -0.351 119.625 119.914 0.103 0.000 2.490 517 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 517 V C 1.902 177.868 176.094 -0.213 0.000 1.061 517 V CA 1.651 64.002 62.300 0.086 0.000 1.064 517 V CB -1.041 30.986 31.823 0.341 0.000 0.670 517 V HN 0.647 nan 8.190 nan 0.000 0.461 518 Y N 1.416 121.380 120.300 -0.560 0.000 2.181 518 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 518 Y C 2.673 178.313 175.900 -0.432 0.000 1.146 518 Y CA 1.901 59.445 58.100 -0.928 0.000 1.164 518 Y CB -0.242 37.810 38.460 -0.680 0.000 0.982 518 Y HN 0.207 nan 8.280 nan 0.000 0.515 519 S N -0.492 115.065 115.700 -0.239 0.000 2.382 519 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 519 S C 2.069 176.461 174.600 -0.347 0.000 1.027 519 S CA 1.312 59.355 58.200 -0.260 0.000 0.991 519 S CB -0.613 62.520 63.200 -0.111 0.000 0.823 519 S HN 0.354 nan 8.310 nan 0.000 0.469 520 V N 1.863 121.574 119.914 -0.338 0.000 2.295 520 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 520 V C 2.299 178.285 176.094 -0.180 0.000 1.049 520 V CA 2.168 64.275 62.300 -0.321 0.000 1.024 520 V CB -0.612 31.087 31.823 -0.206 0.000 0.648 520 V HN 0.491 nan 8.190 nan 0.000 0.447 521 M N 0.979 120.430 119.600 -0.249 0.000 2.067 521 M HA -0.077 4.403 4.480 -0.000 0.000 0.260 521 M C 2.076 178.242 176.300 -0.222 0.000 1.069 521 M CA 2.353 57.528 55.300 -0.207 0.000 1.117 521 M CB -0.555 31.893 32.600 -0.254 0.000 1.334 521 M HN 0.214 nan 8.290 nan 0.000 0.407 522 A N 0.080 122.620 122.820 -0.467 0.000 2.076 522 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 522 A C 1.742 179.205 177.584 -0.201 0.000 1.160 522 A CA 1.858 53.643 52.037 -0.421 0.000 0.653 522 A CB -0.927 17.654 19.000 -0.699 0.000 0.801 522 A HN 0.746 nan 8.150 nan 0.000 0.455 523 N N -1.687 116.920 118.700 -0.155 0.000 2.230 523 N HA 0.011 4.751 4.740 -0.000 0.000 0.202 523 N C -0.291 175.210 175.510 -0.015 0.000 1.119 523 N CA -0.236 52.756 53.050 -0.095 0.000 0.851 523 N CB 0.134 38.541 38.487 -0.132 0.000 0.990 523 N HN 0.674 nan 8.380 nan 0.000 0.497 524 W N 0.920 122.119 121.300 -0.168 0.000 2.238 524 W HA 0.149 4.809 4.660 -0.000 0.000 0.321 524 W C 1.018 177.465 176.519 -0.119 0.000 1.293 524 W CA -0.222 57.044 57.345 -0.131 0.000 1.204 524 W CB 1.019 30.407 29.460 -0.120 0.000 1.167 524 W HN 0.039 nan 8.180 nan 0.000 0.553 525 G N 2.885 111.392 108.800 -0.489 0.000 3.088 525 G HA2 0.374 4.334 3.960 -0.000 0.000 0.212 525 G HA3 0.374 4.334 3.960 -0.000 0.000 0.212 525 G C -0.094 174.667 174.900 -0.233 0.000 1.173 525 G CA 0.562 45.464 45.100 -0.329 0.000 0.779 525 G HN 0.548 nan 8.290 nan 0.000 0.540 526 A N 0.085 122.829 122.820 -0.126 0.000 2.536 526 A HA 0.515 4.834 4.320 -0.000 0.000 0.293 526 A C 0.445 178.076 177.584 0.078 0.000 1.119 526 A CA -0.189 51.810 52.037 -0.063 0.000 0.654 526 A CB 0.239 19.166 19.000 -0.121 0.000 1.291 526 A HN 0.070 nan 8.150 nan 0.000 0.439 527 N N 0.039 118.702 118.700 -0.062 0.000 2.398 527 N HA 0.055 4.795 4.740 -0.000 0.000 0.188 527 N C 0.105 175.649 175.510 0.056 0.000 1.122 527 N CA 0.555 53.583 53.050 -0.036 0.000 0.866 527 N CB -0.175 38.238 38.487 -0.122 0.000 0.970 527 N HN 0.752 nan 8.380 nan 0.000 0.462 528 H N -1.454 117.643 119.070 0.045 0.000 2.670 528 H HA 0.723 5.279 4.556 -0.000 0.000 0.361 528 H C -0.129 175.208 175.328 0.014 0.000 1.169 528 H CA -1.079 54.921 56.048 -0.081 0.000 1.198 528 H CB 2.189 31.805 29.762 -0.243 0.000 1.700 528 H HN 0.193 nan 8.280 nan 0.000 0.542 529 G N 0.081 108.857 108.800 -0.039 0.000 2.682 529 G HA2 0.500 4.460 3.960 -0.000 0.000 0.290 529 G HA3 0.500 4.460 3.960 -0.000 0.000 0.290 529 G C -1.740 173.027 174.900 -0.222 0.000 1.425 529 G CA -0.478 44.614 45.100 -0.013 0.000 0.807 529 G HN 0.462 nan 8.290 nan 0.000 0.482 530 V N 0.187 120.013 119.914 -0.148 0.000 2.709 530 V HA 0.591 4.711 4.120 -0.000 0.000 0.308 530 V C -1.019 174.983 176.094 -0.153 0.000 1.062 530 V CA -0.768 61.444 62.300 -0.148 0.000 0.901 530 V CB 1.783 33.572 31.823 -0.057 0.000 1.003 530 V HN 0.600 nan 8.190 nan 0.000 0.425 531 L N 3.445 124.578 121.223 -0.150 0.000 2.322 531 L HA 0.757 5.097 4.340 -0.000 0.000 0.281 531 L C 0.130 177.041 176.870 0.068 0.000 1.014 531 L CA 0.424 55.166 54.840 -0.165 0.000 0.815 531 L CB 1.961 43.760 42.059 -0.434 0.000 1.247 531 L HN 0.766 nan 8.230 nan 0.000 0.421 532 T N 4.386 119.075 114.554 0.226 0.000 2.848 532 T HA 0.445 4.795 4.350 -0.000 0.000 0.285 532 T C -0.272 174.677 174.700 0.416 0.000 0.995 532 T CA -0.452 61.835 62.100 0.311 0.000 0.970 532 T CB 1.536 70.607 68.868 0.338 0.000 0.976 532 T HN 0.387 nan 8.240 nan 0.000 0.441 533 I N 3.308 124.062 120.570 0.307 0.000 2.815 533 I HA 0.424 4.593 4.170 -0.000 0.000 0.291 533 I C 0.875 176.981 176.117 -0.018 0.000 1.209 533 I CA 1.598 62.916 61.300 0.029 0.000 1.431 533 I CB -0.496 37.482 38.000 -0.035 0.000 1.351 533 I HN 1.014 nan 8.210 nan 0.000 0.585 534 G N 5.322 114.019 108.800 -0.173 0.000 2.796 534 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.571 534 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.571 534 G C -0.501 174.428 174.900 0.047 0.000 1.370 534 G CA -0.325 44.707 45.100 -0.113 0.000 0.856 534 G HN 0.936 nan 8.290 nan 0.000 0.538 535 H N 0.367 119.421 119.070 -0.026 0.000 2.741 535 H HA 0.352 4.908 4.556 -0.000 0.000 0.261 535 H C 1.273 176.623 175.328 0.036 0.000 1.365 535 H CA -0.071 55.965 56.048 -0.019 0.000 1.266 535 H CB 0.607 30.330 29.762 -0.064 0.000 1.485 535 H HN 0.713 nan 8.280 nan 0.000 0.529 536 V N 0.754 120.797 119.914 0.216 0.000 3.177 536 V HA 0.283 4.403 4.120 -0.000 0.000 0.342 536 V C 1.671 177.938 176.094 0.288 0.000 1.379 536 V CA 0.339 62.770 62.300 0.217 0.000 1.191 536 V CB 0.314 32.280 31.823 0.238 0.000 1.167 536 V HN 0.740 nan 8.190 nan 0.000 0.471 537 G N 1.371 110.286 108.800 0.192 0.000 2.440 537 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 537 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 537 G C 1.624 176.610 174.900 0.143 0.000 1.154 537 G CA 1.254 46.449 45.100 0.158 0.000 0.767 537 G HN 0.857 nan 8.290 nan 0.000 0.552 538 A N 0.927 123.800 122.820 0.089 0.000 1.940 538 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 538 A C 2.089 179.716 177.584 0.072 0.000 1.176 538 A CA 2.142 54.216 52.037 0.062 0.000 0.631 538 A CB -0.369 18.662 19.000 0.052 0.000 0.814 538 A HN 0.337 nan 8.150 nan 0.000 0.446 539 D N -1.168 119.276 120.400 0.074 0.000 2.123 539 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 539 D C 1.597 177.874 176.300 -0.039 0.000 0.976 539 D CA 0.983 54.977 54.000 -0.010 0.000 0.831 539 D CB -0.355 40.404 40.800 -0.069 0.000 0.974 539 D HN 0.486 nan 8.370 nan 0.000 0.469 540 F N 1.166 121.113 119.950 -0.004 0.000 2.171 540 F HA -0.055 4.472 4.527 -0.000 0.000 0.300 540 F C 2.437 178.221 175.800 -0.026 0.000 1.090 540 F CA 0.602 58.599 58.000 -0.005 0.000 1.293 540 F CB -0.212 38.796 39.000 0.014 0.000 1.013 540 F HN -0.097 nan 8.300 nan 0.000 0.486 541 I N -0.930 119.718 120.570 0.131 0.000 2.252 541 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 541 I C 2.249 178.360 176.117 -0.011 0.000 1.102 541 I CA 1.515 62.824 61.300 0.015 0.000 1.385 541 I CB -0.711 37.248 38.000 -0.069 0.000 1.064 541 I HN 0.069 nan 8.210 nan 0.000 0.414 542 T N 1.194 115.754 114.554 0.011 0.000 2.746 542 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 542 T C 1.835 176.520 174.700 -0.024 0.000 1.039 542 T CA 1.195 63.304 62.100 0.015 0.000 1.142 542 T CB -0.284 68.614 68.868 0.049 0.000 0.866 542 T HN 0.169 nan 8.240 nan 0.000 0.444 543 L N 1.494 122.684 121.223 -0.055 0.000 2.056 543 L HA 0.137 4.477 4.340 -0.000 0.000 0.207 543 L C 2.553 179.419 176.870 -0.006 0.000 1.078 543 L CA 1.779 56.577 54.840 -0.070 0.000 0.749 543 L CB -1.032 40.947 42.059 -0.133 0.000 0.901 543 L HN 0.205 nan 8.230 nan 0.000 0.433 544 A N -0.860 121.977 122.820 0.027 0.000 1.933 544 A HA -0.198 4.121 4.320 -0.000 0.000 0.218 544 A C 2.482 180.092 177.584 0.044 0.000 1.175 544 A CA 1.889 53.962 52.037 0.060 0.000 0.628 544 A CB -1.074 17.967 19.000 0.068 0.000 0.814 544 A HN 0.667 nan 8.150 nan 0.000 0.444 545 S N -0.563 115.102 115.700 -0.058 0.000 2.423 545 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 545 S C 1.930 176.448 174.600 -0.138 0.000 1.014 545 S CA 1.495 59.562 58.200 -0.222 0.000 0.965 545 S CB -0.556 62.214 63.200 -0.716 0.000 0.785 545 S HN 0.514 nan 8.310 nan 0.000 0.495 546 M N 0.515 120.102 119.600 -0.021 0.000 2.319 546 M HA 0.202 4.681 4.480 -0.000 0.000 0.265 546 M C 1.424 177.754 176.300 0.050 0.000 1.068 546 M CA 1.090 56.411 55.300 0.036 0.000 1.118 546 M CB -0.323 32.292 32.600 0.026 0.000 1.395 546 M HN 0.311 nan 8.290 nan 0.000 0.435 547 L N -0.861 120.417 121.223 0.090 0.000 2.640 547 L HA 0.171 4.511 4.340 -0.000 0.000 0.230 547 L C 0.074 177.096 176.870 0.252 0.000 1.123 547 L CA -0.228 54.704 54.840 0.153 0.000 0.900 547 L CB 0.050 42.223 42.059 0.190 0.000 1.146 547 L HN 0.198 nan 8.230 nan 0.000 0.484 548 R N 0.282 120.932 120.500 0.250 0.000 3.422 548 R HA -0.147 4.193 4.340 -0.000 0.000 0.267 548 R C -0.676 175.821 176.300 0.328 0.000 1.074 548 R CA 0.667 56.966 56.100 0.331 0.000 0.718 548 R CB -2.471 28.003 30.300 0.291 0.000 1.157 548 R HN 0.273 nan 8.270 nan 0.000 0.440 549 I N 1.033 121.744 120.570 0.236 0.000 2.339 549 I HA 0.315 4.485 4.170 -0.000 0.000 0.290 549 I C -1.914 174.217 176.117 0.022 0.000 0.994 549 I CA -2.508 58.866 61.300 0.123 0.000 1.191 549 I CB 1.605 39.657 38.000 0.086 0.000 1.343 549 I HN -0.160 nan 8.210 nan 0.000 0.458 550 P HA 0.071 nan 4.420 nan 0.000 0.271 550 P C -0.616 176.565 177.300 -0.199 0.000 1.216 550 P CA -0.242 62.677 63.100 -0.301 0.000 0.776 550 P CB 0.688 31.892 31.700 -0.827 0.000 0.881 551 V N 3.438 123.284 119.914 -0.112 0.000 2.320 551 V HA 0.016 4.136 4.120 -0.000 0.000 0.265 551 V C 1.574 177.734 176.094 0.110 0.000 1.048 551 V CA -0.127 62.180 62.300 0.011 0.000 0.865 551 V CB -0.136 31.713 31.823 0.044 0.000 1.043 551 V HN 0.858 nan 8.190 nan 0.000 0.474 552 C N 2.401 121.760 119.300 0.098 0.000 2.500 552 C HA 0.424 4.884 4.460 -0.000 0.000 0.273 552 C C 0.571 175.660 174.990 0.165 0.000 1.428 552 C CA -0.203 58.939 59.018 0.208 0.000 1.766 552 C CB -0.973 26.851 27.740 0.140 0.000 1.817 552 C HN 0.780 nan 8.230 nan 0.000 0.543 553 M N 1.322 121.022 119.600 0.168 0.000 2.333 553 M HA 0.462 4.942 4.480 -0.000 0.000 0.286 553 M C -1.652 174.849 176.300 0.336 0.000 1.113 553 M CA -0.160 55.266 55.300 0.210 0.000 0.959 553 M CB 1.547 34.217 32.600 0.116 0.000 1.776 553 M HN 0.729 nan 8.290 nan 0.000 0.492 554 H N 1.736 120.975 119.070 0.282 0.000 2.987 554 H HA 0.507 5.063 4.556 -0.000 0.000 0.316 554 H C -1.718 173.461 175.328 -0.247 0.000 1.380 554 H CA -0.733 55.372 56.048 0.095 0.000 1.160 554 H CB 0.550 30.332 29.762 0.034 0.000 1.865 554 H HN 0.606 nan 8.280 nan 0.000 0.521 555 N N 1.169 119.564 118.700 -0.508 0.000 2.416 555 N HA 0.177 4.917 4.740 -0.000 0.000 0.267 555 N C -1.125 174.223 175.510 -0.270 0.000 1.294 555 N CA -0.278 52.297 53.050 -0.792 0.000 0.891 555 N CB 0.403 38.038 38.487 -1.421 0.000 1.238 555 N HN 0.330 nan 8.380 nan 0.000 0.508 556 V N 0.683 120.668 119.914 0.119 0.000 2.607 556 V HA 0.142 4.262 4.120 -0.000 0.000 0.289 556 V C 0.803 176.958 176.094 0.103 0.000 1.053 556 V CA -0.686 61.668 62.300 0.090 0.000 0.996 556 V CB 1.211 33.086 31.823 0.087 0.000 0.995 556 V HN 0.257 nan 8.190 nan 0.000 0.476 557 E N 2.357 122.580 120.200 0.039 0.000 2.415 557 E HA -0.047 4.303 4.350 -0.000 0.000 0.263 557 E C 1.003 177.653 176.600 0.083 0.000 0.995 557 E CA 0.175 56.605 56.400 0.050 0.000 0.915 557 E CB 0.664 30.385 29.700 0.035 0.000 0.951 557 E HN 0.760 nan 8.360 nan 0.000 0.449 558 E N 2.084 122.340 120.200 0.093 0.000 2.130 558 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 558 E C 1.625 178.280 176.600 0.091 0.000 0.998 558 E CA 1.900 58.364 56.400 0.106 0.000 0.806 558 E CB 0.110 29.868 29.700 0.096 0.000 0.738 558 E HN 0.675 nan 8.360 nan 0.000 0.459 559 T N -1.719 112.880 114.554 0.075 0.000 3.007 559 T HA -0.042 4.308 4.350 -0.000 0.000 0.270 559 T C 1.516 176.258 174.700 0.070 0.000 1.107 559 T CA 0.826 62.970 62.100 0.074 0.000 1.118 559 T CB -0.053 68.852 68.868 0.062 0.000 0.889 559 T HN 0.090 nan 8.240 nan 0.000 0.506 560 K N 1.176 121.613 120.400 0.063 0.000 2.404 560 K HA 0.267 4.587 4.320 -0.000 0.000 0.194 560 K C 0.711 177.357 176.600 0.077 0.000 1.023 560 K CA -0.088 56.232 56.287 0.055 0.000 1.094 560 K CB 0.607 33.131 32.500 0.039 0.000 0.841 560 K HN 0.432 nan 8.250 nan 0.000 0.523 561 V N 0.646 120.610 119.914 0.083 0.000 2.470 561 V HA 0.147 4.267 4.120 -0.000 0.000 0.276 561 V C -1.173 175.022 176.094 0.168 0.000 1.040 561 V CA -0.375 61.973 62.300 0.079 0.000 1.008 561 V CB 0.180 32.016 31.823 0.022 0.000 0.990 561 V HN 0.121 nan 8.190 nan 0.000 0.477 562 Y N 7.565 127.872 120.300 0.012 0.000 2.326 562 Y HA 0.747 5.297 4.550 -0.000 0.000 0.331 562 Y C -0.029 175.909 175.900 0.064 0.000 0.962 562 Y CA -1.220 56.918 58.100 0.063 0.000 1.167 562 Y CB 1.220 39.742 38.460 0.105 0.000 1.148 562 Y HN 0.843 nan 8.280 nan 0.000 0.463 563 R N 4.723 125.005 120.500 -0.364 0.000 2.869 563 R HA 0.508 4.848 4.340 -0.000 0.000 0.263 563 R C -2.931 172.599 176.300 -1.283 0.000 1.066 563 R CA -2.330 53.297 56.100 -0.789 0.000 0.960 563 R CB 1.278 31.033 30.300 -0.908 0.000 1.221 563 R HN 0.406 nan 8.270 nan 0.000 0.474 564 P HA -0.075 nan 4.420 nan 0.000 0.268 564 P C 0.662 177.657 177.300 -0.508 0.000 1.208 564 P CA 0.287 62.573 63.100 -1.356 0.000 0.777 564 P CB 0.594 31.731 31.700 -0.938 0.000 0.875 565 S N 1.817 117.334 115.700 -0.306 0.000 2.442 565 S HA -0.185 4.285 4.470 -0.000 0.000 0.236 565 S C 1.821 176.472 174.600 0.085 0.000 1.007 565 S CA 1.037 59.193 58.200 -0.073 0.000 0.965 565 S CB -1.193 61.978 63.200 -0.047 0.000 0.773 565 S HN 0.463 nan 8.310 nan 0.000 0.504 566 A N 1.096 124.007 122.820 0.152 0.000 2.019 566 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 566 A C 1.945 179.794 177.584 0.442 0.000 1.164 566 A CA 0.852 53.066 52.037 0.295 0.000 0.644 566 A CB -1.226 17.962 19.000 0.314 0.000 0.805 566 A HN 0.794 nan 8.150 nan 0.000 0.449 567 W N -0.221 121.103 121.300 0.040 0.000 2.342 567 W HA -0.214 4.446 4.660 -0.000 0.000 0.297 567 W C 2.622 179.220 176.519 0.132 0.000 1.213 567 W CA 1.166 58.535 57.345 0.040 0.000 1.251 567 W CB -0.170 29.252 29.460 -0.064 0.000 1.136 567 W HN 0.501 nan 8.180 nan 0.000 0.526 568 A N 0.352 123.356 122.820 0.307 0.000 1.972 568 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 568 A C 2.037 179.713 177.584 0.154 0.000 1.169 568 A CA 2.060 54.214 52.037 0.196 0.000 0.635 568 A CB -0.980 18.102 19.000 0.136 0.000 0.810 568 A HN 0.179 nan 8.150 nan 0.000 0.446 569 A N -0.980 121.935 122.820 0.159 0.000 2.070 569 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 569 A C 1.645 179.192 177.584 -0.062 0.000 1.159 569 A CA 1.616 53.676 52.037 0.038 0.000 0.656 569 A CB -0.745 18.259 19.000 0.006 0.000 0.800 569 A HN 0.658 nan 8.150 nan 0.000 0.453 570 H N -0.921 118.137 119.070 -0.020 0.000 2.533 570 H HA 0.431 4.987 4.556 -0.000 0.000 0.271 570 H C 0.949 176.267 175.328 -0.017 0.000 1.000 570 H CA 0.474 56.485 56.048 -0.062 0.000 1.149 570 H CB 0.045 29.709 29.762 -0.163 0.000 1.375 570 H HN 0.665 nan 8.280 nan 0.000 0.582 571 G N -0.933 107.930 108.800 0.105 0.000 2.335 571 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.592 571 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.592 571 G C 0.343 175.304 174.900 0.102 0.000 1.442 571 G CA -0.499 44.652 45.100 0.086 0.000 0.976 571 G HN 0.131 nan 8.290 nan 0.000 0.652 572 M N -0.271 119.378 119.600 0.083 0.000 2.388 572 M HA 0.101 4.581 4.480 -0.000 0.000 0.265 572 M C 1.022 177.382 176.300 0.099 0.000 1.088 572 M CA 0.630 55.982 55.300 0.086 0.000 1.134 572 M CB -0.053 32.587 32.600 0.067 0.000 1.384 572 M HN 0.558 nan 8.290 nan 0.000 0.447 573 D N 1.024 121.482 120.400 0.097 0.000 2.383 573 D HA 0.028 4.667 4.640 -0.000 0.000 0.252 573 D C 1.069 177.454 176.300 0.142 0.000 1.166 573 D CA -0.072 53.992 54.000 0.106 0.000 0.879 573 D CB 0.858 41.712 40.800 0.091 0.000 1.164 573 D HN -0.015 nan 8.370 nan 0.000 0.462 574 I N 3.076 123.738 120.570 0.153 0.000 2.361 574 I HA -0.165 4.004 4.170 -0.000 0.000 0.251 574 I C 1.918 178.172 176.117 0.229 0.000 1.133 574 I CA 1.335 62.750 61.300 0.192 0.000 1.413 574 I CB -0.826 37.294 38.000 0.200 0.000 1.073 574 I HN 0.700 nan 8.210 nan 0.000 0.424 575 E N 0.505 120.836 120.200 0.219 0.000 2.127 575 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 575 E C 2.338 179.116 176.600 0.297 0.000 0.964 575 E CA 0.756 57.323 56.400 0.278 0.000 0.832 575 E CB -0.117 29.727 29.700 0.241 0.000 0.790 575 E HN 0.355 nan 8.360 nan 0.000 0.465 576 G N 1.577 110.492 108.800 0.192 0.000 2.418 576 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.217 576 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.217 576 G C 1.561 176.550 174.900 0.148 0.000 1.158 576 G CA 1.148 46.340 45.100 0.153 0.000 0.771 576 G HN 0.467 nan 8.290 nan 0.000 0.545 577 Q N -0.037 119.851 119.800 0.145 0.000 2.135 577 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 577 Q C 1.908 177.882 176.000 -0.044 0.000 0.981 577 Q CA 1.782 57.647 55.803 0.103 0.000 0.856 577 Q CB -0.354 28.495 28.738 0.186 0.000 0.902 577 Q HN 0.366 nan 8.270 nan 0.000 0.425 578 D N -0.082 120.397 120.400 0.131 0.000 2.097 578 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 578 D C 1.475 177.741 176.300 -0.056 0.000 0.984 578 D CA 1.111 55.189 54.000 0.130 0.000 0.826 578 D CB -0.222 40.715 40.800 0.228 0.000 0.973 578 D HN 0.377 nan 8.370 nan 0.000 0.460 579 Y N 0.548 120.848 120.300 -0.000 0.000 2.242 579 Y HA -0.006 4.544 4.550 -0.000 0.000 0.291 579 Y C 2.610 178.454 175.900 -0.093 0.000 1.137 579 Y CA 1.146 59.234 58.100 -0.021 0.000 1.181 579 Y CB -0.024 38.437 38.460 0.002 0.000 0.989 579 Y HN -0.090 nan 8.280 nan 0.000 0.527 580 R N -0.450 120.067 120.500 0.028 0.000 2.066 580 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 580 R C 2.539 178.656 176.300 -0.305 0.000 1.131 580 R CA 1.209 57.283 56.100 -0.044 0.000 0.955 580 R CB -0.638 29.701 30.300 0.065 0.000 0.851 580 R HN 0.285 nan 8.270 nan 0.000 0.432 581 A N 0.490 122.841 122.820 -0.782 0.000 1.933 581 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 581 A C 2.353 179.451 177.584 -0.811 0.000 1.175 581 A CA 1.361 52.528 52.037 -1.451 0.000 0.628 581 A CB -0.788 16.741 19.000 -2.452 0.000 0.814 581 A HN 0.455 nan 8.150 nan 0.000 0.444 582 C N -1.082 117.957 119.300 -0.435 0.000 2.446 582 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 582 C C 2.830 177.772 174.990 -0.081 0.000 1.275 582 C CA 1.256 60.209 59.018 -0.108 0.000 1.727 582 C CB -1.184 26.554 27.740 -0.003 0.000 2.010 582 C HN 0.771 nan 8.230 nan 0.000 0.486 583 Q N 1.085 120.821 119.800 -0.106 0.000 2.167 583 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 583 Q C 2.088 178.008 176.000 -0.133 0.000 0.970 583 Q CA 1.619 57.388 55.803 -0.057 0.000 0.855 583 Q CB -0.251 28.474 28.738 -0.021 0.000 0.911 583 Q HN 0.693 nan 8.270 nan 0.000 0.438 584 N N -0.208 118.321 118.700 -0.284 0.000 2.051 584 N HA -0.186 4.554 4.740 -0.000 0.000 0.192 584 N C 1.416 176.689 175.510 -0.396 0.000 1.049 584 N CA 1.879 54.684 53.050 -0.408 0.000 0.845 584 N CB -0.526 37.577 38.487 -0.639 0.000 1.031 584 N HN 0.289 nan 8.380 nan 0.000 0.425 585 Y N 0.307 120.533 120.300 -0.124 0.000 2.314 585 Y HA 0.222 4.772 4.550 -0.000 0.000 0.293 585 Y C 1.866 177.717 175.900 -0.081 0.000 1.129 585 Y CA 0.634 58.682 58.100 -0.086 0.000 1.201 585 Y CB -0.904 37.510 38.460 -0.077 0.000 0.999 585 Y HN 0.289 nan 8.280 nan 0.000 0.541 586 G N 0.581 109.408 108.800 0.045 0.000 2.804 586 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.230 586 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.230 586 G C -2.585 172.226 174.900 -0.147 0.000 1.386 586 G CA -0.758 44.322 45.100 -0.033 0.000 0.875 586 G HN 0.125 nan 8.290 nan 0.000 0.557 587 P HA 0.145 nan 4.420 nan 0.000 0.267 587 P C 1.084 178.117 177.300 -0.445 0.000 1.200 587 P CA -0.301 62.310 63.100 -0.816 0.000 0.772 587 P CB 0.772 31.534 31.700 -1.564 0.000 0.855 588 L N 2.884 123.850 121.223 -0.428 0.000 2.083 588 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 588 L C 2.069 178.540 176.870 -0.665 0.000 1.083 588 L CA 2.096 56.606 54.840 -0.551 0.000 0.752 588 L CB -1.283 40.323 42.059 -0.755 0.000 0.899 588 L HN 0.345 nan 8.230 nan 0.000 0.433 589 Y N -0.514 119.707 120.300 -0.132 0.000 2.503 589 Y HA 0.195 4.745 4.550 -0.000 0.000 0.277 589 Y C 0.715 176.560 175.900 -0.092 0.000 1.102 589 Y CA -0.074 57.974 58.100 -0.086 0.000 1.261 589 Y CB 0.031 38.458 38.460 -0.055 0.000 1.096 589 Y HN 0.119 nan 8.280 nan 0.000 0.546 590 K N -1.614 118.756 120.400 -0.051 0.000 2.639 590 K HA 0.573 4.893 4.320 -0.000 0.000 0.279 590 K C -0.904 175.617 176.600 -0.131 0.000 0.976 590 K CA -1.293 54.960 56.287 -0.057 0.000 0.861 590 K CB 1.695 34.201 32.500 0.010 0.000 1.436 590 K HN -0.115 nan 8.250 nan 0.000 0.400 591 R N 0.000 120.451 120.500 -0.082 0.000 2.786 591 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 591 R CA 0.000 56.054 56.100 -0.077 0.000 0.921 591 R CB 0.000 30.269 30.300 -0.051 0.000 0.687 591 R HN 0.000 nan 8.270 nan 0.000 0.535