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 2dex_1_X DATA FIRST_RESID 4 DATA SEQUENCE GTLIRVTPEQ PTHAVCVLGT LTQLDICSSA PXXXTSFSIN ASPGVVVDIX DATA SEQUENCE XXXXXXXXXX XXXTWPLDPG VEVTLTMKAA SGSTGDQKVQ ISYYGPKTPP DATA SEQUENCE VKALLYLTAV EISLCADITR TGKXXXXXXX XXQRTWTWGP CGQGAILLVN DATA SEQUENCE CDRDNLESSA MDCEDDEVLD SEDLQDMSLM TLSTKTPKDF FTNHTLVLHV DATA SEQUENCE ARSEMDKVRV FQATXXXXXX XCSVVLGPKW PSHYLMVPGG KHNMDFYVEA DATA SEQUENCE LAFPDTDFPG LITLTISLLD TSNLELPEAV VFQDSVVFRV APWIMTPNTQ DATA SEQUENCE PPQEVYACSI FENEDFLKSV TTLAMKAKCK LTICPEEENM DDQWMQDEME DATA SEQUENCE IGYIQAPHKT LPVVFDSPRN RGLKEFPIKR VMGPDFGYVT RGPQTGGISG DATA SEQUENCE LDSFGNLEVS PPVTVRGKEY PLGRILFGDS CYPSNDSRQM HQALQDFLSA DATA SEQUENCE QQVQAPVKLY SDWLSVGHVD EFLSFVPAPD RKGFRLLLAS PRSCYKLFQE DATA SEQUENCE QQNEGHGEAL LFEGIKKKKQ QKIKNILSNK TLREHNSFVE RCIDWNRELL DATA SEQUENCE KRELGLAESD IIDIPQLFKL KEFSKAEAFF PNMVNMLVLG KHLGIPKPFG DATA SEQUENCE PVINGRCCLE EKVCSLLEPL GLQCTFINDF FTYHIRHGEV HAGTNVRRKP DATA SEQUENCE FSFKWWNMVP 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 4 G C 0.000 174.928 174.900 0.047 0.000 0.946 4 G CA 0.000 45.126 45.100 0.043 0.000 0.502 5 T N 1.066 115.644 114.554 0.040 0.000 2.912 5 T HA 0.577 4.927 4.350 -0.000 0.000 0.299 5 T C -1.248 173.463 174.700 0.018 0.000 1.052 5 T CA -0.538 61.585 62.100 0.038 0.000 0.996 5 T CB 1.938 70.838 68.868 0.054 0.000 1.070 5 T HN 0.659 nan 8.240 nan 0.000 0.465 6 L N 3.870 125.102 121.223 0.015 0.000 2.318 6 L HA 0.615 4.954 4.340 -0.000 0.000 0.277 6 L C -1.059 175.813 176.870 0.004 0.000 1.008 6 L CA -0.553 54.288 54.840 0.001 0.000 0.846 6 L CB 0.321 42.379 42.059 -0.002 0.000 1.220 6 L HN 0.641 nan 8.230 nan 0.000 0.423 7 I N 4.308 124.876 120.570 -0.004 0.000 2.342 7 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 7 I C 0.172 176.283 176.117 -0.010 0.000 1.010 7 I CA -0.591 60.709 61.300 0.001 0.000 1.308 7 I CB 0.972 38.972 38.000 -0.000 0.000 1.400 7 I HN 0.515 nan 8.210 nan 0.000 0.488 8 R N 5.545 126.046 120.500 0.002 0.000 2.198 8 R HA 0.368 4.708 4.340 -0.000 0.000 0.339 8 R C -0.844 175.459 176.300 0.005 0.000 1.020 8 R CA -0.379 55.720 56.100 -0.001 0.000 0.864 8 R CB 0.894 31.197 30.300 0.004 0.000 1.105 8 R HN 0.508 nan 8.270 nan 0.000 0.463 9 V N 0.610 120.524 119.914 0.001 0.000 2.617 9 V HA 0.775 4.895 4.120 -0.000 0.000 0.298 9 V C -0.354 175.771 176.094 0.052 0.000 1.048 9 V CA -0.449 61.862 62.300 0.018 0.000 0.964 9 V CB 2.030 33.848 31.823 -0.008 0.000 1.004 9 V HN 0.710 nan 8.190 nan 0.000 0.466 10 T N 4.241 118.831 114.554 0.061 0.000 2.971 10 T HA 0.495 4.845 4.350 -0.000 0.000 0.304 10 T C -2.218 172.526 174.700 0.073 0.000 1.038 10 T CA -0.961 61.168 62.100 0.049 0.000 1.007 10 T CB 2.007 70.891 68.868 0.027 0.000 1.055 10 T HN 0.566 nan 8.240 nan 0.000 0.451 11 P HA -0.003 nan 4.420 nan 0.000 0.223 11 P C 1.174 178.500 177.300 0.044 0.000 1.151 11 P CA 0.781 63.924 63.100 0.072 0.000 0.787 11 P CB 0.513 32.224 31.700 0.020 0.000 0.788 12 E N -0.200 120.014 120.200 0.022 0.000 2.028 12 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 12 E C 0.770 177.396 176.600 0.042 0.000 0.988 12 E CA 1.112 57.527 56.400 0.024 0.000 0.799 12 E CB 0.008 29.715 29.700 0.012 0.000 0.755 12 E HN 0.344 nan 8.360 nan 0.000 0.447 13 Q N 0.403 120.233 119.800 0.050 0.000 2.365 13 Q HA 0.362 4.702 4.340 -0.000 0.000 0.269 13 Q C -2.354 173.697 176.000 0.086 0.000 1.061 13 Q CA -2.258 53.587 55.803 0.071 0.000 0.816 13 Q CB 1.911 30.689 28.738 0.067 0.000 1.325 13 Q HN 0.061 nan 8.270 nan 0.000 0.446 14 P HA 0.083 nan 4.420 nan 0.000 0.275 14 P C -0.491 176.892 177.300 0.139 0.000 1.227 14 P CA -0.092 63.080 63.100 0.121 0.000 0.781 14 P CB 0.652 32.478 31.700 0.211 0.000 0.906 15 T N 0.145 114.741 114.554 0.071 0.000 2.902 15 T HA 0.487 4.837 4.350 -0.000 0.000 0.283 15 T C -0.407 174.309 174.700 0.027 0.000 1.009 15 T CA -0.613 61.553 62.100 0.109 0.000 1.051 15 T CB 0.497 69.408 68.868 0.072 0.000 0.999 15 T HN 0.339 nan 8.240 nan 0.000 0.474 16 H N 0.132 119.275 119.070 0.122 0.000 2.495 16 H HA 0.778 5.334 4.556 -0.000 0.000 0.348 16 H C -0.184 175.206 175.328 0.103 0.000 1.113 16 H CA -0.268 55.860 56.048 0.133 0.000 1.195 16 H CB 1.740 31.559 29.762 0.096 0.000 1.521 16 H HN 1.115 nan 8.280 nan 0.000 0.509 17 A N 2.177 125.114 122.820 0.194 0.000 2.594 17 A HA 0.591 4.911 4.320 -0.000 0.000 0.295 17 A C -1.349 176.311 177.584 0.126 0.000 1.071 17 A CA -0.645 51.478 52.037 0.144 0.000 0.685 17 A CB 1.096 20.150 19.000 0.089 0.000 1.285 17 A HN 0.461 nan 8.150 nan 0.000 0.405 18 V N 0.065 120.051 119.914 0.120 0.000 2.539 18 V HA 0.486 4.606 4.120 -0.000 0.000 0.292 18 V C -0.327 175.773 176.094 0.011 0.000 1.045 18 V CA -0.383 61.954 62.300 0.063 0.000 0.945 18 V CB 1.287 33.151 31.823 0.068 0.000 0.993 18 V HN 0.966 nan 8.190 nan 0.000 0.464 19 C N 4.146 123.415 119.300 -0.052 0.000 2.346 19 C HA 0.539 4.999 4.460 -0.000 0.000 0.326 19 C C 0.058 174.951 174.990 -0.161 0.000 1.224 19 C CA -0.882 58.090 59.018 -0.076 0.000 1.408 19 C CB 1.001 28.706 27.740 -0.059 0.000 2.089 19 C HN 0.632 nan 8.230 nan 0.000 0.456 20 V N 5.362 125.146 119.914 -0.218 0.000 2.461 20 V HA 0.208 4.328 4.120 -0.000 0.000 0.275 20 V C 0.450 176.389 176.094 -0.259 0.000 1.047 20 V CA -0.217 61.857 62.300 -0.377 0.000 0.955 20 V CB 0.791 32.113 31.823 -0.836 0.000 0.988 20 V HN 0.689 nan 8.190 nan 0.000 0.471 21 L N 4.784 125.874 121.223 -0.221 0.000 2.540 21 L HA 0.344 4.684 4.340 -0.000 0.000 0.276 21 L C 1.447 178.251 176.870 -0.109 0.000 1.212 21 L CA 1.094 55.851 54.840 -0.138 0.000 0.893 21 L CB -0.260 41.728 42.059 -0.119 0.000 1.138 21 L HN 1.015 nan 8.230 nan 0.000 0.491 22 G N 1.851 110.616 108.800 -0.057 0.000 2.176 22 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.232 22 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.232 22 G C 0.286 175.197 174.900 0.019 0.000 0.986 22 G CA 0.023 45.113 45.100 -0.016 0.000 0.643 22 G HN 0.574 nan 8.290 nan 0.000 0.522 23 T N 1.532 116.091 114.554 0.010 0.000 2.943 23 T HA 0.647 4.996 4.350 -0.000 0.000 0.284 23 T C -0.171 174.544 174.700 0.025 0.000 1.015 23 T CA -0.501 61.631 62.100 0.054 0.000 1.042 23 T CB 1.947 70.861 68.868 0.077 0.000 1.055 23 T HN 0.348 nan 8.240 nan 0.000 0.500 24 L N 2.754 123.998 121.223 0.034 0.000 2.264 24 L HA 0.510 4.849 4.340 -0.000 0.000 0.289 24 L C -0.738 176.140 176.870 0.014 0.000 1.044 24 L CA -0.112 54.737 54.840 0.015 0.000 0.807 24 L CB 0.736 42.804 42.059 0.014 0.000 1.192 24 L HN 0.655 nan 8.230 nan 0.000 0.425 25 T N 5.104 119.657 114.554 -0.002 0.000 2.809 25 T HA 0.516 4.865 4.350 -0.000 0.000 0.284 25 T C -0.368 174.320 174.700 -0.020 0.000 0.992 25 T CA -0.558 61.539 62.100 -0.005 0.000 0.957 25 T CB 1.756 70.617 68.868 -0.011 0.000 0.942 25 T HN 0.510 nan 8.240 nan 0.000 0.439 26 Q N 2.026 121.814 119.800 -0.021 0.000 2.351 26 Q HA 0.607 4.947 4.340 -0.000 0.000 0.273 26 Q C -1.073 174.901 176.000 -0.045 0.000 1.077 26 Q CA -1.039 54.742 55.803 -0.037 0.000 0.843 26 Q CB 2.487 31.205 28.738 -0.034 0.000 1.367 26 Q HN 0.366 nan 8.270 nan 0.000 0.449 27 L N 1.362 122.544 121.223 -0.069 0.000 2.325 27 L HA 0.291 4.631 4.340 -0.000 0.000 0.278 27 L C -0.347 176.467 176.870 -0.092 0.000 1.023 27 L CA -0.323 54.467 54.840 -0.084 0.000 0.811 27 L CB 1.352 43.339 42.059 -0.120 0.000 1.249 27 L HN 0.494 nan 8.230 nan 0.000 0.431 28 D N 2.510 122.866 120.400 -0.073 0.000 2.396 28 D HA 0.215 4.855 4.640 -0.000 0.000 0.225 28 D C 0.595 176.843 176.300 -0.087 0.000 1.121 28 D CA -0.086 53.872 54.000 -0.070 0.000 0.853 28 D CB 0.908 41.686 40.800 -0.038 0.000 1.043 28 D HN 0.311 nan 8.370 nan 0.000 0.500 29 I N 2.659 123.141 120.570 -0.148 0.000 2.867 29 I HA -0.036 4.133 4.170 -0.000 0.000 0.265 29 I C 2.152 178.262 176.117 -0.013 0.000 1.162 29 I CA 0.460 61.651 61.300 -0.181 0.000 1.471 29 I CB 0.068 37.698 38.000 -0.617 0.000 1.123 29 I HN 0.516 nan 8.210 nan 0.000 0.440 30 C N -0.665 118.614 119.300 -0.035 0.000 2.544 30 C HA -0.038 4.421 4.460 -0.000 0.000 0.280 30 C C 2.974 177.952 174.990 -0.020 0.000 1.295 30 C CA 0.796 59.815 59.018 0.002 0.000 1.702 30 C CB -0.839 26.906 27.740 0.008 0.000 2.090 30 C HN 0.429 nan 8.230 nan 0.000 0.493 31 S N 1.019 116.705 115.700 -0.023 0.000 2.400 31 S HA -0.172 4.297 4.470 -0.000 0.000 0.234 31 S C 1.512 176.087 174.600 -0.042 0.000 1.049 31 S CA 1.877 60.061 58.200 -0.026 0.000 1.039 31 S CB -0.243 62.945 63.200 -0.019 0.000 0.856 31 S HN 0.660 nan 8.310 nan 0.000 0.465 32 S N 0.401 116.068 115.700 -0.056 0.000 2.651 32 S HA 0.570 5.040 4.470 -0.000 0.000 0.246 32 S C 0.128 174.612 174.600 -0.194 0.000 1.039 32 S CA -0.364 57.785 58.200 -0.086 0.000 1.013 32 S CB 0.628 63.798 63.200 -0.050 0.000 0.861 32 S HN 0.535 nan 8.310 nan 0.000 0.485 33 A N 3.013 125.678 122.820 -0.259 0.000 2.351 33 A HA 0.668 4.988 4.320 -0.000 0.000 0.257 33 A C -1.928 175.407 177.584 -0.415 0.000 1.087 33 A CA -0.979 50.706 52.037 -0.586 0.000 0.798 33 A CB -0.334 18.436 19.000 -0.384 0.000 1.033 33 A HN 0.242 nan 8.150 nan 0.000 0.488 39 S N 1.244 116.829 115.700 -0.192 0.000 2.661 39 S HA 0.937 5.406 4.470 -0.000 0.000 0.285 39 S C -1.629 172.734 174.600 -0.394 0.000 1.138 39 S CA -0.944 57.022 58.200 -0.390 0.000 0.855 39 S CB 2.182 64.922 63.200 -0.767 0.000 1.136 39 S HN 0.498 nan 8.310 nan 0.000 0.484 40 F N -1.241 118.481 119.950 -0.380 0.000 2.662 40 F HA 0.906 5.432 4.527 -0.001 0.000 0.312 40 F C -0.897 174.962 175.800 0.097 0.000 1.113 40 F CA -0.661 57.227 58.000 -0.187 0.000 0.951 40 F CB 1.084 39.973 39.000 -0.186 0.000 1.344 40 F HN 0.452 nan 8.300 nan 0.000 0.462 41 S N 1.480 117.414 115.700 0.389 0.000 2.599 41 S HA 0.787 5.257 4.470 -0.000 0.000 0.287 41 S C -1.230 173.571 174.600 0.335 0.000 1.105 41 S CA -0.751 57.648 58.200 0.333 0.000 0.899 41 S CB 1.903 65.263 63.200 0.266 0.000 1.100 41 S HN 0.628 nan 8.310 nan 0.000 0.482 42 I N 2.404 123.140 120.570 0.278 0.000 2.545 42 I HA 0.480 4.650 4.170 -0.000 0.000 0.292 42 I C -0.906 175.267 176.117 0.095 0.000 1.040 42 I CA -0.612 60.785 61.300 0.161 0.000 1.068 42 I CB 2.025 40.120 38.000 0.157 0.000 1.251 42 I HN 0.425 nan 8.210 nan 0.000 0.424 43 N N 4.432 123.154 118.700 0.038 0.000 2.295 43 N HA 0.809 5.549 4.740 -0.000 0.000 0.293 43 N C -1.560 173.941 175.510 -0.016 0.000 1.040 43 N CA -0.306 52.754 53.050 0.015 0.000 0.840 43 N CB 2.343 40.835 38.487 0.008 0.000 1.468 43 N HN 0.754 nan 8.380 nan 0.000 0.478 44 A N 1.091 123.902 122.820 -0.015 0.000 2.532 44 A HA 0.729 5.048 4.320 -0.000 0.000 0.290 44 A C -0.468 177.100 177.584 -0.026 0.000 1.143 44 A CA -0.610 51.407 52.037 -0.034 0.000 0.728 44 A CB 0.556 19.536 19.000 -0.033 0.000 1.317 44 A HN 0.691 nan 8.150 nan 0.000 0.414 45 S N 0.471 116.152 115.700 -0.033 0.000 2.593 45 S HA 0.388 4.857 4.470 -0.000 0.000 0.269 45 S C -1.985 172.605 174.600 -0.016 0.000 1.334 45 S CA -0.675 57.513 58.200 -0.021 0.000 1.015 45 S CB 0.334 63.523 63.200 -0.019 0.000 0.912 45 S HN 0.412 nan 8.310 nan 0.000 0.541 46 P HA -0.015 nan 4.420 nan 0.000 0.218 46 P C 1.531 178.823 177.300 -0.013 0.000 1.146 46 P CA 1.461 64.555 63.100 -0.009 0.000 0.813 46 P CB -0.434 31.262 31.700 -0.007 0.000 0.778 47 G N -0.985 107.806 108.800 -0.015 0.000 2.534 47 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.217 47 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.217 47 G C 0.318 175.204 174.900 -0.024 0.000 1.128 47 G CA 0.151 45.239 45.100 -0.020 0.000 0.784 47 G HN 0.203 nan 8.290 nan 0.000 0.542 48 V N 1.318 121.218 119.914 -0.024 0.000 2.370 48 V HA 0.356 4.476 4.120 -0.000 0.000 0.279 48 V C -0.225 175.857 176.094 -0.020 0.000 1.029 48 V CA -0.810 61.474 62.300 -0.027 0.000 0.870 48 V CB 1.766 33.569 31.823 -0.033 0.000 0.984 48 V HN -0.065 nan 8.190 nan 0.000 0.451 49 V N 6.008 125.910 119.914 -0.020 0.000 2.364 49 V HA 0.336 4.456 4.120 -0.000 0.000 0.272 49 V C -0.006 176.078 176.094 -0.017 0.000 1.036 49 V CA -0.445 61.846 62.300 -0.014 0.000 0.880 49 V CB 1.600 33.415 31.823 -0.013 0.000 0.991 49 V HN 0.629 nan 8.190 nan 0.000 0.460 50 V N 4.220 124.128 119.914 -0.010 0.000 2.328 50 V HA 0.391 4.511 4.120 -0.000 0.000 0.278 50 V C -0.355 175.731 176.094 -0.014 0.000 1.021 50 V CA -0.441 61.849 62.300 -0.017 0.000 0.838 50 V CB 1.475 33.294 31.823 -0.007 0.000 0.999 50 V HN 0.853 nan 8.190 nan 0.000 0.447 51 D N 3.702 124.082 120.400 -0.033 0.000 2.185 51 D HA 0.784 5.424 4.640 -0.000 0.000 0.247 51 D C -0.534 175.707 176.300 -0.099 0.000 1.027 51 D CA -0.080 53.897 54.000 -0.038 0.000 0.861 51 D CB 1.906 42.691 40.800 -0.025 0.000 1.202 51 D HN 0.576 nan 8.370 nan 0.000 0.453 68 W N 2.555 123.603 121.300 -0.420 0.000 2.781 68 W HA 0.676 5.336 4.660 -0.001 0.000 0.345 68 W C -2.911 173.298 176.519 -0.516 0.000 1.085 68 W CA -2.363 54.657 57.345 -0.541 0.000 1.198 68 W CB 0.709 29.634 29.460 -0.891 0.000 1.423 68 W HN -0.184 nan 8.180 nan 0.000 0.532 69 P HA 0.176 nan 4.420 nan 0.000 0.277 69 P C -0.402 177.003 177.300 0.175 0.000 1.240 69 P CA -0.370 62.746 63.100 0.027 0.000 0.798 69 P CB 1.088 32.826 31.700 0.064 0.000 0.979 70 L N 2.079 123.420 121.223 0.197 0.000 2.437 70 L HA 0.152 4.492 4.340 -0.000 0.000 0.243 70 L C 0.398 177.380 176.870 0.186 0.000 1.346 70 L CA 0.254 55.278 54.840 0.307 0.000 1.233 70 L CB -0.865 41.337 42.059 0.238 0.000 1.436 70 L HN 0.349 nan 8.230 nan 0.000 0.416 71 D N 1.158 121.673 120.400 0.191 0.000 2.362 71 D HA 0.251 4.891 4.640 -0.000 0.000 0.247 71 D C -1.970 174.386 176.300 0.094 0.000 1.050 71 D CA -1.795 52.275 54.000 0.116 0.000 0.839 71 D CB 2.694 43.556 40.800 0.103 0.000 1.283 71 D HN 0.026 nan 8.370 nan 0.000 0.477 72 P HA 0.020 nan 4.420 nan 0.000 0.219 72 P C 1.062 178.376 177.300 0.024 0.000 1.146 72 P CA 0.683 63.801 63.100 0.031 0.000 0.808 72 P CB 0.203 31.915 31.700 0.020 0.000 0.779 73 G N -0.523 108.296 108.800 0.031 0.000 3.262 73 G HA2 0.073 4.033 3.960 -0.000 0.000 0.228 73 G HA3 0.073 4.033 3.960 -0.000 0.000 0.228 73 G C -0.062 174.848 174.900 0.017 0.000 1.197 73 G CA -0.040 45.073 45.100 0.021 0.000 0.819 73 G HN 0.276 nan 8.290 nan 0.000 0.531 74 V N 1.616 121.546 119.914 0.027 0.000 2.353 74 V HA 0.247 4.367 4.120 -0.000 0.000 0.264 74 V C -0.510 175.552 176.094 -0.052 0.000 1.049 74 V CA -0.876 61.425 62.300 0.003 0.000 0.896 74 V CB 0.761 32.643 31.823 0.098 0.000 1.025 74 V HN 0.221 nan 8.190 nan 0.000 0.475 75 E N 5.572 125.721 120.200 -0.086 0.000 2.180 75 E HA 0.239 4.589 4.350 -0.000 0.000 0.283 75 E C -0.711 175.806 176.600 -0.138 0.000 1.061 75 E CA -0.098 56.247 56.400 -0.092 0.000 0.861 75 E CB 1.691 31.349 29.700 -0.071 0.000 1.056 75 E HN 0.459 nan 8.360 nan 0.000 0.407 76 V N 3.398 123.236 119.914 -0.125 0.000 2.350 76 V HA 0.236 4.356 4.120 -0.000 0.000 0.285 76 V C 0.376 176.411 176.094 -0.098 0.000 1.014 76 V CA -0.660 61.559 62.300 -0.136 0.000 0.831 76 V CB 1.480 33.212 31.823 -0.151 0.000 1.000 76 V HN 0.624 nan 8.190 nan 0.000 0.433 77 T N 6.275 120.779 114.554 -0.084 0.000 2.807 77 T HA 0.727 5.077 4.350 -0.000 0.000 0.279 77 T C -0.756 173.913 174.700 -0.051 0.000 0.993 77 T CA -0.479 61.586 62.100 -0.059 0.000 0.970 77 T CB 0.824 69.664 68.868 -0.046 0.000 0.950 77 T HN 0.406 nan 8.240 nan 0.000 0.441 78 L N 4.114 125.311 121.223 -0.043 0.000 2.309 78 L HA 0.606 4.946 4.340 -0.000 0.000 0.282 78 L C 0.165 177.015 176.870 -0.033 0.000 1.036 78 L CA -0.886 53.930 54.840 -0.039 0.000 0.806 78 L CB 1.993 44.027 42.059 -0.042 0.000 1.220 78 L HN 0.702 nan 8.230 nan 0.000 0.429 79 T N 3.261 117.796 114.554 -0.031 0.000 2.861 79 T HA 0.621 4.971 4.350 -0.000 0.000 0.287 79 T C -0.349 174.331 174.700 -0.034 0.000 1.003 79 T CA -0.579 61.503 62.100 -0.031 0.000 0.977 79 T CB 1.880 70.732 68.868 -0.026 0.000 0.996 79 T HN 0.411 nan 8.240 nan 0.000 0.448 80 M N 2.441 122.017 119.600 -0.041 0.000 2.383 80 M HA 0.431 4.910 4.480 -0.000 0.000 0.325 80 M C 0.806 177.078 176.300 -0.046 0.000 1.092 80 M CA -0.844 54.430 55.300 -0.044 0.000 0.961 80 M CB 2.554 35.122 32.600 -0.054 0.000 1.672 80 M HN 0.523 nan 8.290 nan 0.000 0.438 81 K N 1.113 121.489 120.400 -0.040 0.000 2.067 81 K HA 0.270 4.590 4.320 -0.000 0.000 0.203 81 K C 0.575 177.148 176.600 -0.044 0.000 1.048 81 K CA 0.738 57.002 56.287 -0.037 0.000 0.954 81 K CB 0.270 32.753 32.500 -0.029 0.000 0.737 81 K HN 0.717 nan 8.250 nan 0.000 0.444 82 A N 0.536 123.327 122.820 -0.049 0.000 2.485 82 A HA 0.714 5.034 4.320 -0.000 0.000 0.292 82 A C -1.215 176.324 177.584 -0.074 0.000 1.147 82 A CA -0.792 51.211 52.037 -0.056 0.000 0.750 82 A CB 1.180 20.154 19.000 -0.043 0.000 1.331 82 A HN 0.174 nan 8.150 nan 0.000 0.419 83 A N 0.551 123.319 122.820 -0.087 0.000 2.483 83 A HA 0.515 4.835 4.320 -0.000 0.000 0.238 83 A C 0.683 178.207 177.584 -0.100 0.000 1.070 83 A CA 0.265 52.230 52.037 -0.119 0.000 0.770 83 A CB -0.346 18.577 19.000 -0.127 0.000 1.008 83 A HN 1.008 nan 8.150 nan 0.000 0.497 84 S N 0.879 116.507 115.700 -0.120 0.000 2.564 84 S HA 0.358 4.828 4.470 -0.000 0.000 0.278 84 S C 1.582 176.141 174.600 -0.067 0.000 1.333 84 S CA 0.139 58.290 58.200 -0.080 0.000 1.048 84 S CB 1.341 64.496 63.200 -0.074 0.000 0.900 84 S HN 0.989 nan 8.310 nan 0.000 0.505 85 G N 1.697 110.477 108.800 -0.034 0.000 2.539 85 G HA2 0.154 4.114 3.960 -0.000 0.000 0.215 85 G HA3 0.154 4.114 3.960 -0.000 0.000 0.215 85 G C 0.148 175.046 174.900 -0.004 0.000 1.141 85 G CA 0.011 45.100 45.100 -0.018 0.000 0.806 85 G HN 0.592 nan 8.290 nan 0.000 0.533 86 S N -1.107 114.595 115.700 0.004 0.000 2.595 86 S HA 0.513 4.983 4.470 -0.000 0.000 0.281 86 S C -0.242 174.379 174.600 0.035 0.000 1.117 86 S CA -0.524 57.689 58.200 0.022 0.000 0.873 86 S CB 1.738 64.953 63.200 0.025 0.000 1.108 86 S HN 0.355 nan 8.310 nan 0.000 0.477 87 T N -0.450 114.139 114.554 0.058 0.000 2.916 87 T HA 0.456 4.805 4.350 -0.000 0.000 0.303 87 T C 1.242 175.997 174.700 0.091 0.000 1.025 87 T CA 0.762 62.916 62.100 0.091 0.000 1.142 87 T CB -0.097 68.841 68.868 0.117 0.000 0.947 87 T HN 1.692 nan 8.240 nan 0.000 0.544 88 G N 4.034 112.907 108.800 0.122 0.000 2.160 88 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.251 88 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.251 88 G C 0.428 175.429 174.900 0.168 0.000 1.008 88 G CA 0.554 45.758 45.100 0.173 0.000 0.724 88 G HN 1.091 nan 8.290 nan 0.000 0.514 89 D N -0.751 119.706 120.400 0.095 0.000 2.363 89 D HA 0.065 4.704 4.640 -0.000 0.000 0.226 89 D C 0.715 177.049 176.300 0.057 0.000 1.020 89 D CA 0.786 54.829 54.000 0.072 0.000 0.892 89 D CB 0.217 41.038 40.800 0.036 0.000 0.900 89 D HN 0.377 nan 8.370 nan 0.000 0.531 90 Q N 0.237 120.069 119.800 0.054 0.000 2.345 90 Q HA 0.507 4.847 4.340 -0.000 0.000 0.268 90 Q C -0.401 175.596 176.000 -0.006 0.000 1.054 90 Q CA -0.458 55.354 55.803 0.015 0.000 0.835 90 Q CB 2.749 31.482 28.738 -0.008 0.000 1.339 90 Q HN 0.129 nan 8.270 nan 0.000 0.447 91 K N 0.498 120.860 120.400 -0.064 0.000 2.435 91 K HA 0.747 5.066 4.320 -0.000 0.000 0.251 91 K C -1.045 175.462 176.600 -0.155 0.000 0.954 91 K CA -0.879 55.300 56.287 -0.181 0.000 0.820 91 K CB 2.399 34.752 32.500 -0.245 0.000 1.292 91 K HN 0.232 nan 8.250 nan 0.000 0.436 92 V N 1.760 121.552 119.914 -0.202 0.000 2.577 92 V HA 0.290 4.409 4.120 -0.000 0.000 0.303 92 V C -0.822 175.170 176.094 -0.170 0.000 1.042 92 V CA -0.824 61.389 62.300 -0.146 0.000 0.872 92 V CB 1.667 33.420 31.823 -0.117 0.000 0.998 92 V HN 0.730 nan 8.190 nan 0.000 0.423 93 Q N 4.204 123.932 119.800 -0.120 0.000 2.341 93 Q HA 0.648 4.988 4.340 -0.000 0.000 0.268 93 Q C -1.706 174.246 176.000 -0.080 0.000 1.013 93 Q CA -0.683 55.058 55.803 -0.104 0.000 0.798 93 Q CB 1.685 30.377 28.738 -0.077 0.000 1.253 93 Q HN 0.738 nan 8.270 nan 0.000 0.457 94 I N 3.349 123.846 120.570 -0.121 0.000 2.328 94 I HA 0.198 4.368 4.170 -0.000 0.000 0.287 94 I C -0.194 175.791 176.117 -0.220 0.000 1.012 94 I CA -0.233 60.944 61.300 -0.205 0.000 1.195 94 I CB 1.693 39.450 38.000 -0.404 0.000 1.350 94 I HN 0.501 nan 8.210 nan 0.000 0.464 95 S N 5.721 121.374 115.700 -0.077 0.000 2.422 95 S HA 0.584 5.053 4.470 -0.000 0.000 0.298 95 S C -0.632 174.027 174.600 0.100 0.000 1.118 95 S CA -0.672 57.556 58.200 0.046 0.000 1.083 95 S CB 0.110 63.381 63.200 0.118 0.000 0.971 95 S HN 0.341 nan 8.310 nan 0.000 0.478 96 Y N 2.709 123.135 120.300 0.210 0.000 2.301 96 Y HA 0.555 5.105 4.550 -0.000 0.000 0.325 96 Y C 0.248 176.293 175.900 0.242 0.000 1.203 96 Y CA -0.500 57.705 58.100 0.175 0.000 1.255 96 Y CB 0.711 39.224 38.460 0.088 0.000 1.232 96 Y HN 0.857 nan 8.280 nan 0.000 0.501 97 Y N -1.272 119.173 120.300 0.243 0.000 2.689 97 Y HA 0.911 5.460 4.550 -0.000 0.000 0.333 97 Y C -0.639 175.327 175.900 0.109 0.000 1.208 97 Y CA -1.743 56.441 58.100 0.140 0.000 1.055 97 Y CB 1.200 39.713 38.460 0.089 0.000 1.304 97 Y HN 0.743 nan 8.280 nan 0.000 0.455 98 G N -0.287 108.676 108.800 0.273 0.000 2.727 98 G HA2 0.546 4.505 3.960 -0.000 0.000 0.289 98 G HA3 0.546 4.505 3.960 -0.000 0.000 0.289 98 G C -2.586 172.415 174.900 0.169 0.000 1.418 98 G CA -1.610 43.586 45.100 0.160 0.000 0.818 98 G HN 0.419 nan 8.290 nan 0.000 0.486 99 P HA -0.107 nan 4.420 nan 0.000 0.216 99 P C 0.903 178.242 177.300 0.065 0.000 1.157 99 P CA 1.470 64.617 63.100 0.080 0.000 0.880 99 P CB 0.239 31.970 31.700 0.052 0.000 0.791 100 K N -1.538 118.897 120.400 0.059 0.000 2.414 100 K HA 0.190 4.510 4.320 -0.000 0.000 0.204 100 K C -0.095 176.536 176.600 0.052 0.000 1.026 100 K CA 0.097 56.411 56.287 0.045 0.000 1.108 100 K CB 0.515 33.036 32.500 0.034 0.000 0.855 100 K HN 0.023 nan 8.250 nan 0.000 0.517 101 T N 3.300 117.900 114.554 0.076 0.000 2.788 101 T HA 0.278 4.628 4.350 -0.000 0.000 0.296 101 T C -2.604 172.157 174.700 0.102 0.000 1.009 101 T CA -1.736 60.415 62.100 0.085 0.000 0.949 101 T CB 1.505 70.432 68.868 0.098 0.000 0.946 101 T HN -0.109 nan 8.240 nan 0.000 0.453 102 P HA 0.189 nan 4.420 nan 0.000 0.267 102 P C -2.420 174.942 177.300 0.103 0.000 1.200 102 P CA -1.083 62.057 63.100 0.068 0.000 0.772 102 P CB -0.395 31.332 31.700 0.046 0.000 0.855 103 P HA 0.019 nan 4.420 nan 0.000 0.266 103 P C -0.845 176.545 177.300 0.149 0.000 1.195 103 P CA 0.366 63.561 63.100 0.159 0.000 0.768 103 P CB 0.300 32.063 31.700 0.105 0.000 0.838 104 V N 3.837 123.875 119.914 0.207 0.000 2.409 104 V HA 0.299 4.419 4.120 -0.000 0.000 0.291 104 V C 0.374 176.621 176.094 0.254 0.000 1.020 104 V CA -0.639 61.778 62.300 0.194 0.000 0.848 104 V CB 1.443 33.370 31.823 0.174 0.000 0.990 104 V HN 0.418 nan 8.190 nan 0.000 0.430 105 K N 2.845 123.346 120.400 0.167 0.000 2.118 105 K HA 0.831 5.151 4.320 -0.000 0.000 0.267 105 K C -0.243 176.447 176.600 0.150 0.000 0.991 105 K CA -0.338 56.025 56.287 0.126 0.000 0.916 105 K CB 1.940 34.477 32.500 0.062 0.000 1.041 105 K HN 0.822 nan 8.250 nan 0.000 0.455 106 A N 2.632 125.520 122.820 0.113 0.000 2.365 106 A HA 0.600 4.919 4.320 -0.000 0.000 0.318 106 A C -1.435 176.137 177.584 -0.020 0.000 1.091 106 A CA -0.731 51.361 52.037 0.092 0.000 0.763 106 A CB 0.689 19.801 19.000 0.187 0.000 1.248 106 A HN 0.431 nan 8.150 nan 0.000 0.442 107 L N 1.782 122.978 121.223 -0.045 0.000 2.322 107 L HA 0.647 4.987 4.340 -0.000 0.000 0.281 107 L C -0.679 176.069 176.870 -0.203 0.000 1.014 107 L CA -0.402 54.333 54.840 -0.175 0.000 0.815 107 L CB 1.463 43.412 42.059 -0.184 0.000 1.247 107 L HN 0.661 nan 8.230 nan 0.000 0.421 108 L N 4.051 125.092 121.223 -0.304 0.000 2.376 108 L HA 0.514 4.854 4.340 -0.000 0.000 0.275 108 L C -1.533 175.121 176.870 -0.360 0.000 0.987 108 L CA -0.153 54.545 54.840 -0.237 0.000 0.828 108 L CB 1.186 43.164 42.059 -0.135 0.000 1.249 108 L HN 0.386 nan 8.230 nan 0.000 0.409 109 Y N 5.743 125.913 120.300 -0.217 0.000 2.335 109 Y HA 0.585 5.134 4.550 -0.000 0.000 0.339 109 Y C -0.469 175.380 175.900 -0.084 0.000 0.987 109 Y CA -0.586 57.405 58.100 -0.182 0.000 1.140 109 Y CB 1.349 39.614 38.460 -0.324 0.000 1.173 109 Y HN 0.375 nan 8.280 nan 0.000 0.486 110 L N 3.024 124.297 121.223 0.083 0.000 2.334 110 L HA 0.576 4.916 4.340 -0.000 0.000 0.276 110 L C -0.049 176.860 176.870 0.065 0.000 1.014 110 L CA -0.672 54.201 54.840 0.055 0.000 0.815 110 L CB 1.998 44.057 42.059 0.002 0.000 1.268 110 L HN 0.527 nan 8.230 nan 0.000 0.428 111 T N 2.223 116.807 114.554 0.050 0.000 2.847 111 T HA 0.728 5.077 4.350 -0.000 0.000 0.291 111 T C -0.211 174.444 174.700 -0.075 0.000 0.998 111 T CA -0.524 61.582 62.100 0.010 0.000 0.967 111 T CB 1.480 70.391 68.868 0.072 0.000 0.954 111 T HN 0.682 nan 8.240 nan 0.000 0.441 112 A N 3.103 125.854 122.820 -0.115 0.000 2.309 112 A HA 0.847 5.167 4.320 -0.000 0.000 0.298 112 A C 0.198 177.617 177.584 -0.275 0.000 1.165 112 A CA -0.605 51.333 52.037 -0.165 0.000 0.821 112 A CB 0.350 19.278 19.000 -0.121 0.000 1.102 112 A HN 0.979 nan 8.150 nan 0.000 0.500 113 V N -0.172 119.542 119.914 -0.335 0.000 3.078 113 V HA 0.705 4.825 4.120 -0.000 0.000 0.311 113 V C -0.580 175.326 176.094 -0.312 0.000 1.138 113 V CA -0.829 61.220 62.300 -0.418 0.000 1.007 113 V CB 1.751 33.141 31.823 -0.720 0.000 1.045 113 V HN 0.911 nan 8.190 nan 0.000 0.432 114 E N 2.281 122.332 120.200 -0.248 0.000 2.134 114 E HA 0.578 4.928 4.350 -0.000 0.000 0.278 114 E C -1.285 175.234 176.600 -0.134 0.000 0.959 114 E CA -0.683 55.614 56.400 -0.173 0.000 0.783 114 E CB 1.344 30.980 29.700 -0.105 0.000 1.095 114 E HN 0.684 nan 8.360 nan 0.000 0.399 115 I N 3.811 124.290 120.570 -0.152 0.000 2.563 115 I HA 0.184 4.354 4.170 -0.000 0.000 0.276 115 I C -0.801 175.355 176.117 0.065 0.000 1.074 115 I CA -0.543 60.743 61.300 -0.023 0.000 1.124 115 I CB 0.844 38.826 38.000 -0.031 0.000 1.225 115 I HN 0.263 nan 8.210 nan 0.000 0.482 116 S N 6.555 122.299 115.700 0.074 0.000 2.438 116 S HA 0.519 4.989 4.470 -0.000 0.000 0.316 116 S C -0.128 174.528 174.600 0.093 0.000 1.084 116 S CA -0.567 57.681 58.200 0.079 0.000 1.107 116 S CB 2.114 65.334 63.200 0.034 0.000 0.981 116 S HN 0.433 nan 8.310 nan 0.000 0.466 117 L N 3.648 124.928 121.223 0.095 0.000 2.260 117 L HA 0.429 4.768 4.340 -0.000 0.000 0.289 117 L C -0.884 175.999 176.870 0.022 0.000 1.057 117 L CA -0.332 54.547 54.840 0.065 0.000 0.811 117 L CB 0.273 42.354 42.059 0.036 0.000 1.184 117 L HN 0.757 nan 8.230 nan 0.000 0.429 118 C N 4.173 123.487 119.300 0.024 0.000 2.507 118 C HA 0.934 5.393 4.460 -0.000 0.000 0.319 118 C C 0.402 175.381 174.990 -0.019 0.000 1.208 118 C CA -0.583 58.428 59.018 -0.011 0.000 1.619 118 C CB 1.046 28.781 27.740 -0.007 0.000 2.230 118 C HN 0.930 nan 8.230 nan 0.000 0.492 119 A N 1.033 123.813 122.820 -0.067 0.000 2.583 119 A HA 0.704 5.023 4.320 -0.000 0.000 0.289 119 A C -1.151 176.375 177.584 -0.096 0.000 1.151 119 A CA -0.264 51.731 52.037 -0.070 0.000 0.695 119 A CB 0.821 19.715 19.000 -0.177 0.000 1.290 119 A HN 0.710 nan 8.150 nan 0.000 0.419 120 D N 1.148 121.501 120.400 -0.078 0.000 2.608 120 D HA 0.177 4.816 4.640 -0.000 0.000 0.224 120 D C 1.154 177.350 176.300 -0.174 0.000 1.123 120 D CA -0.044 53.894 54.000 -0.103 0.000 1.030 120 D CB -0.527 40.232 40.800 -0.069 0.000 1.093 120 D HN 0.464 nan 8.370 nan 0.000 0.497 121 I N -0.453 119.998 120.570 -0.198 0.000 3.059 121 I HA 0.000 4.170 4.170 -0.000 0.000 0.270 121 I C 1.491 177.433 176.117 -0.291 0.000 1.238 121 I CA 0.645 61.785 61.300 -0.267 0.000 1.478 121 I CB -0.263 37.587 38.000 -0.250 0.000 1.097 121 I HN 0.122 nan 8.210 nan 0.000 0.455 122 T N -1.728 112.692 114.554 -0.224 0.000 3.081 122 T HA 0.251 4.601 4.350 -0.000 0.000 0.250 122 T C 0.909 175.473 174.700 -0.225 0.000 1.100 122 T CA -0.150 61.826 62.100 -0.206 0.000 1.038 122 T CB -0.211 68.576 68.868 -0.135 0.000 0.962 122 T HN 0.502 nan 8.240 nan 0.000 0.516 123 R N 0.590 120.926 120.500 -0.274 0.000 3.418 123 R HA -0.102 4.237 4.340 -0.000 0.000 0.274 123 R C -0.988 175.219 176.300 -0.156 0.000 1.108 123 R CA 0.741 56.630 56.100 -0.352 0.000 0.741 123 R CB -3.078 26.825 30.300 -0.661 0.000 1.223 123 R HN 0.585 nan 8.270 nan 0.000 0.434 124 T N -1.422 113.078 114.554 -0.091 0.000 4.206 124 T HA 0.464 4.814 4.350 -0.000 0.000 0.333 124 T C -0.191 174.490 174.700 -0.032 0.000 0.757 124 T CA -0.441 61.645 62.100 -0.025 0.000 0.935 124 T CB 1.346 70.214 68.868 0.001 0.000 1.233 124 T HN 1.013 nan 8.240 nan 0.000 0.454 125 G N 3.056 111.843 108.800 -0.021 0.000 3.199 125 G HA2 0.069 4.028 3.960 -0.000 0.000 0.680 125 G HA3 0.069 4.028 3.960 -0.000 0.000 0.680 125 G C -0.363 174.515 174.900 -0.036 0.000 1.197 125 G CA -1.188 43.898 45.100 -0.024 0.000 1.143 125 G HN 0.549 nan 8.290 nan 0.000 0.492 137 R N 0.222 120.695 120.500 -0.044 0.000 3.351 137 R HA 0.342 4.682 4.340 -0.000 0.000 0.296 137 R C -0.732 175.558 176.300 -0.017 0.000 1.427 137 R CA 0.106 56.179 56.100 -0.044 0.000 1.257 137 R CB 0.539 30.816 30.300 -0.037 0.000 1.378 137 R HN 0.394 nan 8.270 nan 0.000 0.610 138 T N -0.207 114.335 114.554 -0.020 0.000 2.886 138 T HA 0.162 4.512 4.350 -0.000 0.000 0.292 138 T C -1.537 173.178 174.700 0.026 0.000 1.012 138 T CA -0.594 61.524 62.100 0.031 0.000 0.982 138 T CB 1.642 70.528 68.868 0.030 0.000 1.018 138 T HN 0.318 nan 8.240 nan 0.000 0.451 139 W N 4.517 125.776 121.300 -0.069 0.000 2.342 139 W HA 0.450 5.110 4.660 0.000 0.000 0.310 139 W C 0.306 176.777 176.519 -0.080 0.000 1.128 139 W CA -0.332 56.947 57.345 -0.110 0.000 1.322 139 W CB 0.465 29.848 29.460 -0.127 0.000 1.251 139 W HN 0.659 nan 8.180 nan 0.000 0.439 140 T N 2.086 116.483 114.554 -0.262 0.000 2.829 140 T HA 0.423 4.773 4.350 -0.000 0.000 0.280 140 T C -0.601 173.934 174.700 -0.276 0.000 0.999 140 T CA -0.734 61.325 62.100 -0.068 0.000 0.983 140 T CB 0.808 69.639 68.868 -0.061 0.000 0.968 140 T HN 0.367 nan 8.240 nan 0.000 0.446 141 W N 1.464 122.836 121.300 0.119 0.000 2.161 141 W HA 0.534 5.193 4.660 -0.002 0.000 0.344 141 W C 1.208 177.751 176.519 0.040 0.000 1.262 141 W CA 1.397 58.859 57.345 0.195 0.000 1.270 141 W CB 0.311 29.961 29.460 0.318 0.000 1.126 141 W HN 1.420 nan 8.180 nan 0.000 0.598 142 G N 1.592 110.589 108.800 0.328 0.000 2.612 142 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.686 142 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.686 142 G C -2.173 172.766 174.900 0.066 0.000 1.274 142 G CA -0.708 44.503 45.100 0.184 0.000 0.849 142 G HN 0.292 nan 8.290 nan 0.000 0.595 143 P HA 0.071 nan 4.420 nan 0.000 0.220 143 P C 1.531 178.816 177.300 -0.025 0.000 1.148 143 P CA 1.640 64.734 63.100 -0.010 0.000 0.803 143 P CB 0.119 31.806 31.700 -0.021 0.000 0.782 144 C N -1.095 118.192 119.300 -0.022 0.000 2.693 144 C HA 0.437 4.897 4.460 -0.000 0.000 0.286 144 C C 1.649 176.593 174.990 -0.076 0.000 1.277 144 C CA -0.336 58.657 59.018 -0.042 0.000 1.705 144 C CB -1.342 26.383 27.740 -0.025 0.000 1.879 144 C HN 0.194 nan 8.230 nan 0.000 0.607 145 G N -0.083 108.654 108.800 -0.105 0.000 2.525 145 G HA2 0.528 4.488 3.960 -0.000 0.000 0.287 145 G HA3 0.528 4.488 3.960 -0.000 0.000 0.287 145 G C -0.944 173.767 174.900 -0.315 0.000 1.350 145 G CA -0.007 44.975 45.100 -0.196 0.000 1.039 145 G HN 0.434 nan 8.290 nan 0.000 0.513 146 Q N -2.069 117.440 119.800 -0.486 0.000 2.435 146 Q HA 0.528 4.868 4.340 -0.000 0.000 0.282 146 Q C -0.852 174.630 176.000 -0.864 0.000 1.020 146 Q CA -0.292 55.195 55.803 -0.528 0.000 0.820 146 Q CB 2.251 30.791 28.738 -0.330 0.000 1.436 146 Q HN 1.622 nan 8.270 nan 0.000 0.395 147 G N 0.670 108.996 108.800 -0.790 0.000 2.634 147 G HA2 0.393 4.353 3.960 -0.000 0.000 0.568 147 G HA3 0.393 4.353 3.960 -0.000 0.000 0.568 147 G C -1.187 173.406 174.900 -0.512 0.000 1.495 147 G CA -0.377 44.181 45.100 -0.903 0.000 0.903 147 G HN 0.720 nan 8.290 nan 0.000 0.646 148 A N 1.169 123.870 122.820 -0.199 0.000 2.332 148 A HA 0.838 5.158 4.320 -0.000 0.000 0.258 148 A C 0.240 178.000 177.584 0.293 0.000 1.087 148 A CA -0.103 51.895 52.037 -0.065 0.000 0.802 148 A CB 0.500 19.377 19.000 -0.204 0.000 1.042 148 A HN 1.182 nan 8.150 nan 0.000 0.489 149 I N 0.381 121.091 120.570 0.232 0.000 2.460 149 I HA 0.442 4.612 4.170 -0.000 0.000 0.298 149 I C -0.266 176.082 176.117 0.386 0.000 0.989 149 I CA -0.024 61.461 61.300 0.308 0.000 1.173 149 I CB 1.658 39.730 38.000 0.120 0.000 1.338 149 I HN 0.555 nan 8.210 nan 0.000 0.456 150 L N 6.286 127.695 121.223 0.309 0.000 2.385 150 L HA 0.568 4.908 4.340 -0.000 0.000 0.273 150 L C -1.204 175.750 176.870 0.140 0.000 0.990 150 L CA -0.715 54.222 54.840 0.162 0.000 0.821 150 L CB 1.514 43.578 42.059 0.009 0.000 1.279 150 L HN 0.456 nan 8.230 nan 0.000 0.412 151 L N 4.407 125.713 121.223 0.138 0.000 2.334 151 L HA 0.394 4.734 4.340 -0.000 0.000 0.277 151 L C -0.220 176.636 176.870 -0.022 0.000 1.075 151 L CA -0.906 53.981 54.840 0.079 0.000 0.804 151 L CB 1.878 44.010 42.059 0.121 0.000 1.174 151 L HN 0.296 nan 8.230 nan 0.000 0.438 152 V N 2.393 122.204 119.914 -0.171 0.000 2.479 152 V HA -0.044 4.075 4.120 -0.000 0.000 0.281 152 V C 0.649 176.700 176.094 -0.072 0.000 1.031 152 V CA -0.180 61.963 62.300 -0.260 0.000 1.038 152 V CB 0.647 32.004 31.823 -0.777 0.000 0.981 152 V HN 0.643 nan 8.190 nan 0.000 0.478 153 N N 4.347 123.042 118.700 -0.009 0.000 3.178 153 N HA 0.062 4.801 4.740 -0.000 0.000 0.300 153 N C 0.660 176.219 175.510 0.081 0.000 1.242 153 N CA -0.281 52.802 53.050 0.054 0.000 1.192 153 N CB -0.111 38.413 38.487 0.061 0.000 1.463 153 N HN 0.866 nan 8.380 nan 0.000 0.539 154 C N -0.477 118.900 119.300 0.127 0.000 2.884 154 C HA 0.339 4.799 4.460 -0.000 0.000 0.287 154 C C 0.650 175.775 174.990 0.225 0.000 1.310 154 C CA -0.963 58.172 59.018 0.195 0.000 1.725 154 C CB -1.284 26.635 27.740 0.298 0.000 2.060 154 C HN 0.520 nan 8.230 nan 0.000 0.618 155 D N 1.181 121.693 120.400 0.186 0.000 2.507 155 D HA 0.236 4.876 4.640 -0.000 0.000 0.280 155 D C -0.146 176.226 176.300 0.119 0.000 1.219 155 D CA -0.614 53.497 54.000 0.185 0.000 1.085 155 D CB 0.407 41.319 40.800 0.187 0.000 1.134 155 D HN 0.429 nan 8.370 nan 0.000 0.583 156 R N -0.250 120.311 120.500 0.101 0.000 2.721 156 R HA 0.172 4.511 4.340 -0.000 0.000 0.272 156 R C -0.673 175.656 176.300 0.047 0.000 1.721 156 R CA -0.443 55.689 56.100 0.054 0.000 1.325 156 R CB 0.433 30.750 30.300 0.029 0.000 1.271 156 R HN 0.239 nan 8.270 nan 0.000 0.556 157 D N 1.126 121.548 120.400 0.037 0.000 2.277 157 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 157 D C 0.151 176.455 176.300 0.006 0.000 0.962 157 D CA 0.718 54.732 54.000 0.023 0.000 0.865 157 D CB 0.154 40.961 40.800 0.011 0.000 0.939 157 D HN 0.545 nan 8.370 nan 0.000 0.510 158 N N 1.097 119.795 118.700 -0.002 0.000 2.359 158 N HA -0.064 4.676 4.740 -0.000 0.000 0.261 158 N C 1.654 177.159 175.510 -0.008 0.000 1.267 158 N CA -0.337 52.706 53.050 -0.011 0.000 0.864 158 N CB 0.731 39.209 38.487 -0.015 0.000 1.063 158 N HN -0.063 nan 8.380 nan 0.000 0.474 159 L N 3.153 124.371 121.223 -0.010 0.000 1.951 159 L HA -0.206 4.134 4.340 -0.000 0.000 0.222 159 L C 0.742 177.608 176.870 -0.007 0.000 1.078 159 L CA 1.561 56.397 54.840 -0.006 0.000 0.778 159 L CB -0.465 41.589 42.059 -0.009 0.000 0.893 159 L HN 0.707 nan 8.230 nan 0.000 0.436 160 E N -0.399 119.794 120.200 -0.010 0.000 2.939 160 E HA 0.217 4.567 4.350 -0.000 0.000 0.215 160 E C -0.262 176.327 176.600 -0.017 0.000 1.025 160 E CA -0.148 56.245 56.400 -0.012 0.000 1.259 160 E CB 1.005 30.699 29.700 -0.010 0.000 1.228 160 E HN 0.191 nan 8.360 nan 0.000 0.443 161 S N 0.348 116.037 115.700 -0.019 0.000 2.747 161 S HA 0.354 4.824 4.470 -0.000 0.000 0.300 161 S C 1.076 175.655 174.600 -0.035 0.000 1.121 161 S CA -0.158 58.027 58.200 -0.025 0.000 0.995 161 S CB 1.395 64.581 63.200 -0.022 0.000 1.113 161 S HN 0.227 nan 8.310 nan 0.000 0.547 162 S N 1.083 116.756 115.700 -0.044 0.000 2.599 162 S HA 0.455 4.925 4.470 -0.000 0.000 0.236 162 S C 0.762 175.315 174.600 -0.078 0.000 1.077 162 S CA 0.232 58.393 58.200 -0.065 0.000 0.906 162 S CB -0.586 62.575 63.200 -0.066 0.000 0.804 162 S HN 0.950 nan 8.310 nan 0.000 0.497 163 A N 2.643 125.429 122.820 -0.057 0.000 2.386 163 A HA 0.604 4.924 4.320 -0.000 0.000 0.248 163 A C 0.399 177.963 177.584 -0.034 0.000 1.082 163 A CA -0.437 51.568 52.037 -0.053 0.000 0.789 163 A CB -0.256 18.724 19.000 -0.034 0.000 1.025 163 A HN 0.533 nan 8.150 nan 0.000 0.490 164 M N 1.132 120.720 119.600 -0.021 0.000 2.252 164 M HA -0.003 4.477 4.480 -0.000 0.000 0.333 164 M C 0.427 176.743 176.300 0.026 0.000 1.111 164 M CA -0.156 55.159 55.300 0.026 0.000 1.140 164 M CB 0.165 32.805 32.600 0.066 0.000 1.538 164 M HN 0.735 nan 8.290 nan 0.000 0.448 165 D N 1.476 121.898 120.400 0.037 0.000 2.149 165 D HA -0.128 4.511 4.640 -0.000 0.000 0.198 165 D C 1.833 178.156 176.300 0.038 0.000 0.990 165 D CA 1.441 55.457 54.000 0.026 0.000 0.839 165 D CB -0.334 40.480 40.800 0.023 0.000 0.948 165 D HN 0.849 nan 8.370 nan 0.000 0.460 166 C N 0.152 119.482 119.300 0.049 0.000 2.539 166 C HA 0.187 4.647 4.460 -0.000 0.000 0.271 166 C C 2.070 177.080 174.990 0.033 0.000 1.412 166 C CA -0.508 58.543 59.018 0.054 0.000 1.729 166 C CB -1.116 26.649 27.740 0.042 0.000 1.739 166 C HN 0.164 nan 8.230 nan 0.000 0.570 167 E N 2.035 122.248 120.200 0.022 0.000 2.208 167 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 167 E C 0.562 177.158 176.600 -0.006 0.000 0.988 167 E CA 1.259 57.661 56.400 0.003 0.000 0.828 167 E CB 0.076 29.774 29.700 -0.004 0.000 0.763 167 E HN 0.897 nan 8.360 nan 0.000 0.478 168 D N 0.003 120.409 120.400 0.009 0.000 2.549 168 D HA 0.041 4.680 4.640 -0.000 0.000 0.270 168 D C -0.470 175.848 176.300 0.031 0.000 1.181 168 D CA -0.717 53.285 54.000 0.004 0.000 1.070 168 D CB 0.519 41.323 40.800 0.007 0.000 1.154 168 D HN -0.140 nan 8.370 nan 0.000 0.602 169 D N -1.942 118.469 120.400 0.017 0.000 3.035 169 D HA 0.277 4.916 4.640 -0.000 0.000 0.290 169 D C -0.633 175.801 176.300 0.223 0.000 1.360 169 D CA -0.582 53.444 54.000 0.042 0.000 0.862 169 D CB 0.075 40.774 40.800 -0.168 0.000 1.078 169 D HN 0.336 nan 8.370 nan 0.000 0.487 170 E N -0.112 120.244 120.200 0.260 0.000 2.340 170 E HA 0.387 4.737 4.350 -0.000 0.000 0.273 170 E C -0.985 175.548 176.600 -0.111 0.000 0.891 170 E CA -1.294 55.204 56.400 0.162 0.000 0.757 170 E CB 2.810 32.535 29.700 0.043 0.000 1.231 170 E HN -0.072 nan 8.360 nan 0.000 0.439 171 V N 3.538 123.194 119.914 -0.431 0.000 2.368 171 V HA 0.114 4.233 4.120 -0.000 0.000 0.266 171 V C 0.835 176.787 176.094 -0.237 0.000 1.045 171 V CA 0.030 62.037 62.300 -0.488 0.000 0.899 171 V CB 0.459 31.865 31.823 -0.695 0.000 1.006 171 V HN 0.687 nan 8.190 nan 0.000 0.470 172 L N 2.918 124.046 121.223 -0.159 0.000 2.554 172 L HA 0.361 4.700 4.340 -0.000 0.000 0.225 172 L C 0.083 176.900 176.870 -0.090 0.000 1.104 172 L CA 0.614 55.395 54.840 -0.097 0.000 0.866 172 L CB 0.308 42.330 42.059 -0.062 0.000 1.047 172 L HN 0.643 nan 8.230 nan 0.000 0.468 173 D N -1.695 118.639 120.400 -0.110 0.000 2.857 173 D HA 0.102 4.742 4.640 -0.000 0.000 0.227 173 D C 0.480 176.708 176.300 -0.120 0.000 1.192 173 D CA 0.122 54.067 54.000 -0.091 0.000 0.857 173 D CB 2.075 42.838 40.800 -0.062 0.000 1.645 173 D HN -0.160 nan 8.370 nan 0.000 0.482 174 S N 1.133 116.770 115.700 -0.105 0.000 2.419 174 S HA -0.206 4.264 4.470 -0.000 0.000 0.233 174 S C 1.291 175.821 174.600 -0.118 0.000 1.016 174 S CA 0.925 59.051 58.200 -0.124 0.000 0.974 174 S CB -0.137 63.008 63.200 -0.090 0.000 0.786 174 S HN 0.552 nan 8.310 nan 0.000 0.492 175 E N 1.524 121.678 120.200 -0.077 0.000 2.285 175 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 175 E C 1.391 177.961 176.600 -0.050 0.000 0.997 175 E CA 1.021 57.391 56.400 -0.050 0.000 0.845 175 E CB -0.744 28.944 29.700 -0.021 0.000 0.782 175 E HN 0.589 nan 8.360 nan 0.000 0.491 176 D N 1.715 122.069 120.400 -0.077 0.000 2.149 176 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 176 D C 2.049 178.292 176.300 -0.094 0.000 0.990 176 D CA 0.930 54.885 54.000 -0.075 0.000 0.839 176 D CB -0.180 40.554 40.800 -0.111 0.000 0.948 176 D HN 0.178 nan 8.370 nan 0.000 0.460 177 L N -0.067 121.045 121.223 -0.186 0.000 2.261 177 L HA -0.177 4.163 4.340 -0.000 0.000 0.216 177 L C 2.425 179.241 176.870 -0.090 0.000 1.114 177 L CA 0.904 55.579 54.840 -0.275 0.000 0.777 177 L CB -0.465 41.259 42.059 -0.558 0.000 0.910 177 L HN 0.162 nan 8.230 nan 0.000 0.440 178 Q N -0.298 119.491 119.800 -0.017 0.000 2.291 178 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 178 Q C 1.347 177.464 176.000 0.195 0.000 0.976 178 Q CA 1.150 57.008 55.803 0.091 0.000 0.875 178 Q CB -0.005 28.774 28.738 0.067 0.000 0.927 178 Q HN 0.516 nan 8.270 nan 0.000 0.450 179 D N -0.340 120.146 120.400 0.144 0.000 2.289 179 D HA 0.023 4.663 4.640 -0.000 0.000 0.207 179 D C 0.571 177.044 176.300 0.288 0.000 0.966 179 D CA 0.706 54.818 54.000 0.188 0.000 0.868 179 D CB 0.224 41.093 40.800 0.114 0.000 0.943 179 D HN 0.261 nan 8.370 nan 0.000 0.514 180 M N 0.183 119.912 119.600 0.216 0.000 2.291 180 M HA 0.199 4.679 4.480 -0.000 0.000 0.324 180 M C 0.274 176.631 176.300 0.096 0.000 1.148 180 M CA -0.208 55.210 55.300 0.197 0.000 1.104 180 M CB 1.570 34.290 32.600 0.200 0.000 1.483 180 M HN -0.358 nan 8.290 nan 0.000 0.467 181 S N 1.938 117.642 115.700 0.007 0.000 2.480 181 S HA 0.433 4.903 4.470 -0.000 0.000 0.286 181 S C -0.718 173.833 174.600 -0.083 0.000 1.180 181 S CA -0.770 57.330 58.200 -0.166 0.000 1.075 181 S CB 0.943 64.104 63.200 -0.064 0.000 0.996 181 S HN 0.459 nan 8.310 nan 0.000 0.487 182 L N 4.384 125.515 121.223 -0.153 0.000 2.367 182 L HA 0.540 4.880 4.340 -0.000 0.000 0.275 182 L C -0.398 176.431 176.870 -0.069 0.000 1.129 182 L CA 0.405 55.093 54.840 -0.253 0.000 0.839 182 L CB 0.464 42.375 42.059 -0.247 0.000 1.133 182 L HN 0.768 nan 8.230 nan 0.000 0.453 183 M N 5.005 124.589 119.600 -0.027 0.000 2.395 183 M HA 0.567 5.047 4.480 -0.000 0.000 0.307 183 M C -1.004 175.388 176.300 0.154 0.000 1.091 183 M CA -0.365 55.004 55.300 0.115 0.000 0.919 183 M CB 1.950 34.678 32.600 0.214 0.000 1.662 183 M HN 0.790 nan 8.290 nan 0.000 0.440 184 T N 2.623 117.249 114.554 0.119 0.000 2.861 184 T HA 0.531 4.880 4.350 -0.000 0.000 0.287 184 T C -1.026 173.772 174.700 0.163 0.000 1.003 184 T CA -0.886 61.284 62.100 0.117 0.000 0.977 184 T CB 1.570 70.439 68.868 0.002 0.000 0.996 184 T HN 0.763 nan 8.240 nan 0.000 0.448 185 L N 2.766 124.126 121.223 0.227 0.000 2.262 185 L HA 0.527 4.867 4.340 -0.000 0.000 0.288 185 L C -0.326 176.616 176.870 0.120 0.000 1.035 185 L CA -0.471 54.498 54.840 0.216 0.000 0.820 185 L CB 1.379 43.652 42.059 0.356 0.000 1.204 185 L HN 0.815 nan 8.230 nan 0.000 0.424 186 S N 2.448 118.200 115.700 0.087 0.000 2.429 186 S HA 0.559 5.028 4.470 -0.000 0.000 0.302 186 S C -0.153 174.496 174.600 0.081 0.000 1.115 186 S CA -0.488 57.745 58.200 0.055 0.000 1.095 186 S CB 1.305 64.516 63.200 0.020 0.000 0.987 186 S HN 0.724 nan 8.310 nan 0.000 0.474 187 T N 1.083 115.702 114.554 0.108 0.000 2.876 187 T HA 0.650 5.000 4.350 -0.000 0.000 0.289 187 T C -0.996 173.758 174.700 0.090 0.000 1.014 187 T CA -0.943 61.232 62.100 0.126 0.000 0.986 187 T CB 1.546 70.571 68.868 0.262 0.000 1.021 187 T HN 0.431 nan 8.240 nan 0.000 0.458 188 K N 2.333 122.737 120.400 0.008 0.000 2.613 188 K HA 0.558 4.878 4.320 -0.000 0.000 0.248 188 K C -0.896 175.621 176.600 -0.138 0.000 0.959 188 K CA -0.447 55.821 56.287 -0.030 0.000 0.855 188 K CB 1.408 33.881 32.500 -0.045 0.000 1.143 188 K HN 1.045 nan 8.250 nan 0.000 0.437 189 T N 0.536 115.011 114.554 -0.130 0.000 2.841 189 T HA 0.573 4.922 4.350 -0.000 0.000 0.296 189 T C -2.910 171.703 174.700 -0.145 0.000 1.166 189 T CA -2.214 59.701 62.100 -0.308 0.000 1.007 189 T CB 1.697 70.267 68.868 -0.497 0.000 1.253 189 T HN 0.176 nan 8.240 nan 0.000 0.511 190 P HA 0.243 nan 4.420 nan 0.000 0.268 190 P C 0.529 177.859 177.300 0.050 0.000 1.208 190 P CA -0.364 62.727 63.100 -0.015 0.000 0.777 190 P CB 0.483 32.196 31.700 0.023 0.000 0.875 191 K N 1.364 121.798 120.400 0.057 0.000 2.160 191 K HA -0.168 4.151 4.320 -0.000 0.000 0.206 191 K C 0.987 177.648 176.600 0.101 0.000 1.047 191 K CA 1.743 58.078 56.287 0.079 0.000 0.930 191 K CB -0.286 32.247 32.500 0.056 0.000 0.720 191 K HN 0.636 nan 8.250 nan 0.000 0.450 192 D N -0.476 119.977 120.400 0.088 0.000 2.388 192 D HA -0.062 4.577 4.640 -0.000 0.000 0.221 192 D C 1.188 177.533 176.300 0.075 0.000 1.133 192 D CA -0.313 53.733 54.000 0.078 0.000 0.831 192 D CB -0.368 40.459 40.800 0.044 0.000 0.962 192 D HN 0.126 nan 8.370 nan 0.000 0.502 193 F N 0.517 120.396 119.950 -0.118 0.000 2.171 193 F HA -0.003 4.524 4.527 -0.000 0.000 0.300 193 F C 1.095 176.727 175.800 -0.280 0.000 1.090 193 F CA 1.144 58.977 58.000 -0.280 0.000 1.293 193 F CB -0.051 38.614 39.000 -0.557 0.000 1.013 193 F HN -0.154 nan 8.300 nan 0.000 0.486 194 F N -0.610 119.368 119.950 0.046 0.000 2.773 194 F HA 0.027 4.554 4.527 -0.001 0.000 0.304 194 F C 2.070 177.822 175.800 -0.080 0.000 1.129 194 F CA 0.268 58.245 58.000 -0.038 0.000 1.378 194 F CB -0.703 38.330 39.000 0.056 0.000 1.095 194 F HN -0.189 nan 8.300 nan 0.000 0.565 195 T N 0.070 114.639 114.554 0.025 0.000 2.684 195 T HA -0.211 4.138 4.350 -0.000 0.000 0.267 195 T C 1.513 176.146 174.700 -0.111 0.000 1.036 195 T CA 1.737 63.817 62.100 -0.034 0.000 1.148 195 T CB -0.249 68.595 68.868 -0.040 0.000 0.863 195 T HN 0.407 nan 8.240 nan 0.000 0.436 196 N N -0.757 117.818 118.700 -0.208 0.000 2.171 196 N HA 0.131 4.870 4.740 -0.000 0.000 0.212 196 N C -0.587 174.548 175.510 -0.625 0.000 1.184 196 N CA -0.072 52.765 53.050 -0.355 0.000 0.888 196 N CB 0.746 39.010 38.487 -0.372 0.000 1.038 196 N HN 0.365 nan 8.380 nan 0.000 0.517 197 H N -1.170 117.683 119.070 -0.360 0.000 2.821 197 H HA 0.428 4.984 4.556 -0.000 0.000 0.373 197 H C -0.790 174.569 175.328 0.052 0.000 1.165 197 H CA -0.445 55.438 56.048 -0.275 0.000 1.154 197 H CB 2.297 31.638 29.762 -0.702 0.000 1.765 197 H HN -0.246 nan 8.280 nan 0.000 0.549 198 T N 1.643 116.353 114.554 0.260 0.000 2.916 198 T HA 0.540 4.889 4.350 -0.000 0.000 0.305 198 T C -1.455 173.446 174.700 0.334 0.000 1.119 198 T CA -0.705 61.556 62.100 0.269 0.000 1.008 198 T CB 0.685 69.586 68.868 0.055 0.000 1.129 198 T HN 0.369 nan 8.240 nan 0.000 0.480 199 L N 3.779 125.190 121.223 0.312 0.000 2.317 199 L HA 0.829 5.168 4.340 -0.000 0.000 0.281 199 L C -0.357 176.683 176.870 0.284 0.000 1.024 199 L CA -1.018 54.007 54.840 0.308 0.000 0.810 199 L CB 1.888 44.115 42.059 0.280 0.000 1.240 199 L HN 0.414 nan 8.230 nan 0.000 0.427 200 V N 5.147 125.217 119.914 0.260 0.000 2.656 200 V HA 0.496 4.615 4.120 -0.000 0.000 0.307 200 V C -0.888 175.340 176.094 0.223 0.000 1.051 200 V CA -0.530 61.887 62.300 0.195 0.000 0.893 200 V CB 2.191 34.054 31.823 0.067 0.000 0.999 200 V HN 0.548 nan 8.190 nan 0.000 0.426 201 L N 6.908 128.218 121.223 0.146 0.000 2.317 201 L HA 0.789 5.128 4.340 -0.000 0.000 0.281 201 L C -0.815 176.103 176.870 0.081 0.000 1.024 201 L CA -0.315 54.538 54.840 0.022 0.000 0.810 201 L CB 1.549 43.547 42.059 -0.102 0.000 1.240 201 L HN 1.084 nan 8.230 nan 0.000 0.427 202 H N 1.703 120.737 119.070 -0.059 0.000 3.017 202 H HA 0.768 5.323 4.556 -0.000 0.000 0.346 202 H C -1.593 173.713 175.328 -0.036 0.000 1.286 202 H CA -1.009 55.010 56.048 -0.049 0.000 1.120 202 H CB 1.650 31.379 29.762 -0.055 0.000 1.860 202 H HN 0.193 nan 8.280 nan 0.000 0.542 203 V N 0.054 120.007 119.914 0.064 0.000 2.841 203 V HA 0.751 4.871 4.120 -0.000 0.000 0.310 203 V C 0.500 176.635 176.094 0.068 0.000 1.090 203 V CA -0.736 61.580 62.300 0.028 0.000 0.930 203 V CB 1.513 33.338 31.823 0.003 0.000 1.014 203 V HN 1.224 nan 8.190 nan 0.000 0.425 204 A N 3.003 125.858 122.820 0.059 0.000 2.531 204 A HA 0.268 4.588 4.320 -0.000 0.000 0.236 204 A C 1.325 178.925 177.584 0.027 0.000 1.062 204 A CA 0.116 52.183 52.037 0.051 0.000 0.760 204 A CB -0.043 18.984 19.000 0.046 0.000 0.995 204 A HN 0.930 nan 8.150 nan 0.000 0.501 205 R N 1.319 121.831 120.500 0.021 0.000 2.127 205 R HA -0.145 4.194 4.340 -0.000 0.000 0.238 205 R C 2.294 178.592 176.300 -0.005 0.000 1.134 205 R CA 1.650 57.755 56.100 0.008 0.000 0.975 205 R CB -0.330 29.975 30.300 0.007 0.000 0.865 205 R HN 0.944 nan 8.270 nan 0.000 0.447 206 S N 0.499 116.200 115.700 0.002 0.000 2.447 206 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 206 S C 1.397 175.976 174.600 -0.035 0.000 1.006 206 S CA 1.034 59.230 58.200 -0.006 0.000 0.957 206 S CB 0.058 63.268 63.200 0.017 0.000 0.773 206 S HN 0.404 nan 8.310 nan 0.000 0.507 207 E N 0.685 120.864 120.200 -0.034 0.000 2.511 207 E HA 0.227 4.577 4.350 -0.000 0.000 0.209 207 E C 1.814 178.355 176.600 -0.099 0.000 0.986 207 E CA 0.238 56.591 56.400 -0.078 0.000 0.974 207 E CB 0.041 29.734 29.700 -0.011 0.000 1.030 207 E HN 0.777 nan 8.360 nan 0.000 0.490 208 M N 1.035 120.598 119.600 -0.062 0.000 2.358 208 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 208 M C 1.030 177.278 176.300 -0.088 0.000 1.064 208 M CA 1.582 56.849 55.300 -0.055 0.000 1.093 208 M CB -0.333 32.258 32.600 -0.015 0.000 1.401 208 M HN -0.121 nan 8.290 nan 0.000 0.440 209 D N 0.682 121.015 120.400 -0.111 0.000 2.349 209 D HA -0.066 4.574 4.640 -0.000 0.000 0.224 209 D C 0.962 177.161 176.300 -0.168 0.000 1.029 209 D CA 0.683 54.609 54.000 -0.123 0.000 0.879 209 D CB -0.250 40.485 40.800 -0.109 0.000 0.906 209 D HN 0.521 nan 8.370 nan 0.000 0.528 210 K N -0.381 119.886 120.400 -0.222 0.000 2.374 210 K HA 0.280 4.599 4.320 -0.000 0.000 0.202 210 K C -0.254 176.241 176.600 -0.176 0.000 1.040 210 K CA -0.157 55.955 56.287 -0.292 0.000 1.085 210 K CB 2.145 34.267 32.500 -0.630 0.000 0.873 210 K HN -0.027 nan 8.250 nan 0.000 0.539 211 V N 0.505 120.337 119.914 -0.136 0.000 3.049 211 V HA 0.505 4.625 4.120 -0.000 0.000 0.309 211 V C -1.878 174.142 176.094 -0.122 0.000 1.148 211 V CA -0.957 61.275 62.300 -0.114 0.000 0.990 211 V CB 2.249 34.009 31.823 -0.105 0.000 1.039 211 V HN 0.117 nan 8.190 nan 0.000 0.430 212 R N 3.265 123.688 120.500 -0.128 0.000 2.621 212 R HA 0.812 5.152 4.340 -0.000 0.000 0.284 212 R C -2.296 173.868 176.300 -0.227 0.000 0.998 212 R CA -0.421 55.552 56.100 -0.211 0.000 0.895 212 R CB 2.304 32.462 30.300 -0.237 0.000 1.195 212 R HN 0.573 nan 8.270 nan 0.000 0.450 213 V N 4.989 124.722 119.914 -0.302 0.000 2.540 213 V HA 0.554 4.674 4.120 -0.000 0.000 0.302 213 V C -0.913 175.030 176.094 -0.252 0.000 1.035 213 V CA -0.602 61.603 62.300 -0.160 0.000 0.873 213 V CB 1.545 33.305 31.823 -0.104 0.000 0.992 213 V HN 0.582 nan 8.190 nan 0.000 0.428 214 F N 2.149 122.194 119.950 0.158 0.000 2.480 214 F HA 0.531 5.058 4.527 -0.001 0.000 0.329 214 F C 0.313 176.271 175.800 0.263 0.000 1.091 214 F CA -0.468 57.635 58.000 0.172 0.000 0.972 214 F CB 1.761 40.843 39.000 0.137 0.000 1.150 214 F HN 0.397 nan 8.300 nan 0.000 0.467 215 Q N 2.260 122.275 119.800 0.357 0.000 2.278 215 Q HA 0.714 5.054 4.340 -0.000 0.000 0.257 215 Q C -1.080 174.980 176.000 0.099 0.000 0.928 215 Q CA -0.718 55.162 55.803 0.128 0.000 0.932 215 Q CB 1.556 30.341 28.738 0.080 0.000 1.221 215 Q HN 0.839 nan 8.270 nan 0.000 0.434 216 A N 3.335 126.163 122.820 0.014 0.000 2.306 216 A HA 0.739 5.059 4.320 -0.000 0.000 0.330 216 A C -0.450 177.130 177.584 -0.006 0.000 1.146 216 A CA -0.373 51.708 52.037 0.073 0.000 0.827 216 A CB 1.653 20.794 19.000 0.233 0.000 1.178 216 A HN 0.774 nan 8.150 nan 0.000 0.490 226 S N 0.961 116.821 115.700 0.267 0.000 2.541 226 S HA 0.817 5.286 4.470 -0.000 0.000 0.280 226 S C -0.498 174.267 174.600 0.275 0.000 1.112 226 S CA -0.701 57.666 58.200 0.279 0.000 0.925 226 S CB 1.175 64.480 63.200 0.175 0.000 1.067 226 S HN 1.890 nan 8.310 nan 0.000 0.479 227 V N 2.164 122.147 119.914 0.116 0.000 2.617 227 V HA 0.279 4.399 4.120 -0.000 0.000 0.304 227 V C 1.349 177.421 176.094 -0.037 0.000 1.040 227 V CA 0.356 62.508 62.300 -0.248 0.000 1.149 227 V CB -0.172 31.394 31.823 -0.428 0.000 0.914 227 V HN 1.298 nan 8.190 nan 0.000 0.487 228 V N 2.192 122.047 119.914 -0.099 0.000 3.151 228 V HA 0.464 4.583 4.120 -0.000 0.000 0.241 228 V C 0.580 176.719 176.094 0.075 0.000 1.173 228 V CA 0.146 62.344 62.300 -0.171 0.000 1.154 228 V CB -0.274 31.410 31.823 -0.232 0.000 0.898 228 V HN 0.673 nan 8.190 nan 0.000 0.473 229 L N 0.548 121.766 121.223 -0.009 0.000 2.388 229 L HA 0.942 5.282 4.340 -0.000 0.000 0.264 229 L C 0.028 176.850 176.870 -0.081 0.000 0.998 229 L CA 0.068 54.925 54.840 0.030 0.000 0.817 229 L CB 1.930 43.973 42.059 -0.027 0.000 1.338 229 L HN 0.429 nan 8.230 nan 0.000 0.414 230 G N 1.008 109.789 108.800 -0.032 0.000 2.321 230 G HA2 0.236 4.196 3.960 -0.000 0.000 0.296 230 G HA3 0.236 4.196 3.960 -0.000 0.000 0.296 230 G C -2.886 171.970 174.900 -0.074 0.000 1.287 230 G CA -0.460 44.568 45.100 -0.120 0.000 0.846 230 G HN 0.298 nan 8.290 nan 0.000 0.508 231 P HA -0.118 nan 4.420 nan 0.000 0.218 231 P C 1.313 178.589 177.300 -0.039 0.000 1.152 231 P CA 1.636 64.687 63.100 -0.080 0.000 0.857 231 P CB 0.340 31.980 31.700 -0.100 0.000 0.787 232 K N -2.638 117.734 120.400 -0.048 0.000 2.387 232 K HA 0.049 4.368 4.320 -0.000 0.000 0.203 232 K C -0.738 176.061 176.600 0.332 0.000 1.030 232 K CA 0.030 56.362 56.287 0.076 0.000 1.099 232 K CB 0.425 32.952 32.500 0.045 0.000 0.863 232 K HN 0.094 nan 8.250 nan 0.000 0.529 233 W N 2.137 123.413 121.300 -0.041 0.000 2.485 233 W HA 0.320 4.979 4.660 -0.001 0.000 0.297 233 W C -2.131 174.367 176.519 -0.035 0.000 0.999 233 W CA -2.481 54.846 57.345 -0.029 0.000 1.512 233 W CB 1.395 30.841 29.460 -0.023 0.000 1.322 233 W HN -0.080 nan 8.180 nan 0.000 0.419 234 P HA -0.006 nan 4.420 nan 0.000 0.240 234 P C 0.194 177.536 177.300 0.069 0.000 1.190 234 P CA 0.808 63.955 63.100 0.077 0.000 0.781 234 P CB 0.898 32.625 31.700 0.045 0.000 0.931 235 S N -1.246 114.471 115.700 0.029 0.000 2.550 235 S HA 0.589 5.059 4.470 -0.000 0.000 0.270 235 S C -1.529 173.029 174.600 -0.070 0.000 1.145 235 S CA -0.707 57.485 58.200 -0.013 0.000 0.852 235 S CB 1.960 65.087 63.200 -0.121 0.000 1.119 235 S HN 0.147 nan 8.310 nan 0.000 0.465 236 H N -0.231 118.726 119.070 -0.188 0.000 3.087 236 H HA 0.421 4.977 4.556 -0.000 0.000 0.348 236 H C -2.023 173.230 175.328 -0.125 0.000 1.092 236 H CA -0.412 55.520 56.048 -0.192 0.000 1.285 236 H CB 1.016 30.747 29.762 -0.053 0.000 1.875 236 H HN 0.715 nan 8.280 nan 0.000 0.512 237 Y N 4.754 124.852 120.300 -0.337 0.000 2.402 237 Y HA 0.168 4.718 4.550 -0.000 0.000 0.333 237 Y C 0.237 176.099 175.900 -0.063 0.000 1.076 237 Y CA -0.469 57.532 58.100 -0.166 0.000 1.299 237 Y CB 0.600 38.935 38.460 -0.209 0.000 1.197 237 Y HN 0.328 nan 8.280 nan 0.000 0.517 238 L N 4.765 126.133 121.223 0.241 0.000 2.350 238 L HA 0.332 4.672 4.340 -0.000 0.000 0.275 238 L C -0.133 176.781 176.870 0.073 0.000 1.099 238 L CA -0.327 54.648 54.840 0.225 0.000 0.808 238 L CB 0.812 43.010 42.059 0.232 0.000 1.149 238 L HN 0.596 nan 8.230 nan 0.000 0.442 239 M N 3.872 123.502 119.600 0.050 0.000 2.055 239 M HA 0.383 4.863 4.480 -0.000 0.000 0.347 239 M C -1.214 174.988 176.300 -0.164 0.000 1.123 239 M CA -0.393 54.871 55.300 -0.060 0.000 1.035 239 M CB 1.173 33.766 32.600 -0.012 0.000 1.484 239 M HN 0.258 nan 8.290 nan 0.000 0.428 240 V N 5.389 125.089 119.914 -0.356 0.000 2.577 240 V HA 0.560 4.679 4.120 -0.000 0.000 0.303 240 V C -2.248 173.524 176.094 -0.537 0.000 1.042 240 V CA -1.438 60.538 62.300 -0.539 0.000 0.872 240 V CB 1.829 33.232 31.823 -0.700 0.000 0.998 240 V HN 0.625 nan 8.190 nan 0.000 0.423 241 P HA 0.357 nan 4.420 nan 0.000 0.282 241 P C 0.249 177.676 177.300 0.212 0.000 1.249 241 P CA 0.033 63.088 63.100 -0.075 0.000 0.806 241 P CB 1.455 33.068 31.700 -0.144 0.000 0.984 242 G N 0.327 109.347 108.800 0.366 0.000 2.684 242 G HA2 0.434 4.393 3.960 -0.000 0.000 0.255 242 G HA3 0.434 4.393 3.960 -0.000 0.000 0.255 242 G C 0.438 175.457 174.900 0.199 0.000 1.219 242 G CA 0.282 45.594 45.100 0.355 0.000 0.901 242 G HN 0.866 nan 8.290 nan 0.000 0.548 243 G N -0.405 108.475 108.800 0.134 0.000 2.512 243 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.240 243 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.240 243 G C 0.124 175.088 174.900 0.107 0.000 1.246 243 G CA 0.327 45.481 45.100 0.090 0.000 0.919 243 G HN 1.292 nan 8.290 nan 0.000 0.577 244 K N 0.794 121.253 120.400 0.098 0.000 2.201 244 K HA 0.653 4.973 4.320 -0.000 0.000 0.278 244 K C -0.730 175.978 176.600 0.180 0.000 1.027 244 K CA -0.381 55.968 56.287 0.104 0.000 0.909 244 K CB 1.859 34.391 32.500 0.053 0.000 1.062 244 K HN 1.072 nan 8.250 nan 0.000 0.465 245 H N 1.334 120.438 119.070 0.057 0.000 2.996 245 H HA 0.401 4.957 4.556 -0.000 0.000 0.368 245 H C -1.676 173.672 175.328 0.035 0.000 1.185 245 H CA -0.557 55.518 56.048 0.046 0.000 1.160 245 H CB 1.758 31.556 29.762 0.059 0.000 1.820 245 H HN 0.838 nan 8.280 nan 0.000 0.547 246 N N 4.085 122.428 118.700 -0.596 0.000 2.346 246 N HA 0.334 5.074 4.740 -0.000 0.000 0.289 246 N C -1.392 173.793 175.510 -0.541 0.000 1.027 246 N CA -0.688 52.130 53.050 -0.386 0.000 0.864 246 N CB 2.060 40.422 38.487 -0.210 0.000 1.370 246 N HN 0.379 nan 8.380 nan 0.000 0.481 247 M N 2.502 121.932 119.600 -0.284 0.000 2.134 247 M HA 0.328 4.807 4.480 -0.000 0.000 0.310 247 M C -1.742 174.331 176.300 -0.377 0.000 0.966 247 M CA -0.637 54.487 55.300 -0.294 0.000 0.922 247 M CB 0.986 33.512 32.600 -0.124 0.000 1.537 247 M HN 0.358 nan 8.290 nan 0.000 0.424 248 D N 4.681 124.828 120.400 -0.422 0.000 2.210 248 D HA 0.464 5.104 4.640 -0.000 0.000 0.249 248 D C -1.218 174.702 176.300 -0.633 0.000 1.078 248 D CA 0.451 54.217 54.000 -0.389 0.000 0.875 248 D CB 0.949 41.591 40.800 -0.263 0.000 1.175 248 D HN 0.345 nan 8.370 nan 0.000 0.440 249 F N 0.875 120.717 119.950 -0.180 0.000 2.561 249 F HA 0.461 4.988 4.527 -0.000 0.000 0.321 249 F C -0.386 175.220 175.800 -0.324 0.000 1.065 249 F CA -0.981 56.955 58.000 -0.106 0.000 0.934 249 F CB 1.300 40.285 39.000 -0.025 0.000 1.215 249 F HN 0.159 nan 8.300 nan 0.000 0.471 250 Y N 0.750 121.215 120.300 0.274 0.000 2.376 250 Y HA 0.681 5.231 4.550 -0.000 0.000 0.340 250 Y C -0.706 175.312 175.900 0.197 0.000 0.965 250 Y CA -1.109 57.096 58.100 0.175 0.000 1.078 250 Y CB 2.086 40.617 38.460 0.119 0.000 1.193 250 Y HN 0.223 nan 8.280 nan 0.000 0.452 251 V N 3.281 123.306 119.914 0.186 0.000 2.540 251 V HA 0.457 4.577 4.120 -0.000 0.000 0.302 251 V C -0.761 175.345 176.094 0.020 0.000 1.035 251 V CA -1.055 61.250 62.300 0.009 0.000 0.873 251 V CB 1.718 33.362 31.823 -0.299 0.000 0.992 251 V HN 0.792 nan 8.190 nan 0.000 0.428 252 E N 3.536 123.759 120.200 0.039 0.000 2.238 252 E HA 0.849 5.198 4.350 -0.000 0.000 0.267 252 E C -0.675 175.904 176.600 -0.034 0.000 0.887 252 E CA -0.899 55.524 56.400 0.039 0.000 0.769 252 E CB 2.417 32.192 29.700 0.124 0.000 1.187 252 E HN 0.715 nan 8.360 nan 0.000 0.416 253 A N 3.037 125.829 122.820 -0.046 0.000 2.293 253 A HA 0.459 4.779 4.320 -0.000 0.000 0.302 253 A C 0.391 177.934 177.584 -0.068 0.000 1.119 253 A CA -0.761 51.238 52.037 -0.063 0.000 0.823 253 A CB 0.374 19.341 19.000 -0.054 0.000 1.097 253 A HN 0.782 nan 8.150 nan 0.000 0.491 254 L N 0.195 121.374 121.223 -0.075 0.000 2.817 254 L HA 0.430 4.770 4.340 -0.000 0.000 0.248 254 L C 0.656 177.493 176.870 -0.055 0.000 1.133 254 L CA 0.580 55.383 54.840 -0.063 0.000 0.935 254 L CB 0.130 42.147 42.059 -0.071 0.000 1.266 254 L HN 0.779 nan 8.230 nan 0.000 0.535 255 A N -0.465 122.322 122.820 -0.055 0.000 2.547 255 A HA 0.643 4.963 4.320 -0.000 0.000 0.297 255 A C -1.312 176.357 177.584 0.140 0.000 1.056 255 A CA -0.428 51.637 52.037 0.046 0.000 0.688 255 A CB 0.982 19.982 19.000 -0.000 0.000 1.282 255 A HN -0.037 nan 8.150 nan 0.000 0.400 256 F N 1.487 121.578 119.950 0.235 0.000 2.410 256 F HA 0.435 4.961 4.527 -0.001 0.000 0.334 256 F C -1.703 174.233 175.800 0.227 0.000 1.134 256 F CA -1.297 56.829 58.000 0.210 0.000 1.227 256 F CB 0.714 39.876 39.000 0.270 0.000 1.194 256 F HN 0.300 nan 8.300 nan 0.000 0.571 257 P HA 0.011 nan 4.420 nan 0.000 0.265 257 P C -1.011 176.320 177.300 0.053 0.000 1.187 257 P CA 0.528 63.558 63.100 -0.115 0.000 0.766 257 P CB 0.537 32.089 31.700 -0.247 0.000 0.820 258 D N -0.046 120.409 120.400 0.092 0.000 2.692 258 D HA 0.127 4.767 4.640 -0.000 0.000 0.303 258 D C 1.003 177.367 176.300 0.107 0.000 1.278 258 D CA -0.345 53.737 54.000 0.135 0.000 0.852 258 D CB 0.844 41.792 40.800 0.246 0.000 1.375 258 D HN 0.082 nan 8.370 nan 0.000 0.453 259 T N -0.052 114.566 114.554 0.106 0.000 2.680 259 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 259 T C 0.987 175.748 174.700 0.103 0.000 1.033 259 T CA 2.019 64.172 62.100 0.089 0.000 1.152 259 T CB -0.250 68.671 68.868 0.089 0.000 0.859 259 T HN 0.469 nan 8.240 nan 0.000 0.452 260 D N -0.927 119.555 120.400 0.137 0.000 2.328 260 D HA 0.071 4.710 4.640 -0.000 0.000 0.221 260 D C -0.111 176.335 176.300 0.243 0.000 1.072 260 D CA -0.128 53.960 54.000 0.147 0.000 0.850 260 D CB 0.104 40.976 40.800 0.120 0.000 0.922 260 D HN 0.374 nan 8.370 nan 0.000 0.516 261 F N 1.066 121.036 119.950 0.034 0.000 3.287 261 F HA 0.303 4.831 4.527 0.001 0.000 0.379 261 F C -2.551 173.260 175.800 0.018 0.000 1.268 261 F CA -2.596 55.419 58.000 0.025 0.000 1.220 261 F CB 1.771 40.788 39.000 0.028 0.000 1.687 261 F HN -0.348 nan 8.300 nan 0.000 0.648 262 P HA 0.111 nan 4.420 nan 0.000 0.221 262 P C 0.962 177.943 177.300 -0.533 0.000 1.145 262 P CA 2.474 65.435 63.100 -0.232 0.000 0.795 262 P CB 0.236 31.890 31.700 -0.076 0.000 0.775 263 G N -2.885 105.201 108.800 -1.190 0.000 2.154 263 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.186 263 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.186 263 G C -0.220 174.304 174.900 -0.627 0.000 1.000 263 G CA -0.572 43.785 45.100 -1.239 0.000 0.664 263 G HN 0.238 nan 8.290 nan 0.000 0.513 264 L N 1.365 122.398 121.223 -0.316 0.000 2.317 264 L HA 0.728 5.068 4.340 -0.000 0.000 0.281 264 L C -0.137 176.855 176.870 0.202 0.000 1.024 264 L CA -1.210 53.598 54.840 -0.053 0.000 0.810 264 L CB 1.570 43.609 42.059 -0.034 0.000 1.240 264 L HN -0.054 nan 8.230 nan 0.000 0.427 265 I N 1.805 122.497 120.570 0.204 0.000 2.478 265 I HA 0.307 4.477 4.170 -0.000 0.000 0.287 265 I C -0.258 175.993 176.117 0.224 0.000 1.042 265 I CA -0.266 61.169 61.300 0.224 0.000 1.067 265 I CB 1.934 40.060 38.000 0.210 0.000 1.233 265 I HN 0.490 nan 8.210 nan 0.000 0.431 266 T N 7.188 121.827 114.554 0.143 0.000 2.771 266 T HA 0.656 5.006 4.350 -0.000 0.000 0.281 266 T C 0.028 174.763 174.700 0.058 0.000 0.982 266 T CA -0.428 61.728 62.100 0.094 0.000 0.978 266 T CB 1.299 70.195 68.868 0.047 0.000 0.930 266 T HN 0.254 nan 8.240 nan 0.000 0.447 267 L N 3.236 124.491 121.223 0.053 0.000 2.322 267 L HA 0.595 4.935 4.340 -0.000 0.000 0.281 267 L C 0.103 176.882 176.870 -0.152 0.000 1.014 267 L CA -0.775 54.039 54.840 -0.043 0.000 0.815 267 L CB 1.831 43.911 42.059 0.035 0.000 1.247 267 L HN 0.580 nan 8.230 nan 0.000 0.421 268 T N 3.199 117.551 114.554 -0.337 0.000 2.841 268 T HA 0.513 4.863 4.350 -0.000 0.000 0.283 268 T C -0.683 173.713 174.700 -0.506 0.000 1.000 268 T CA -0.384 61.447 62.100 -0.448 0.000 0.977 268 T CB 2.374 70.902 68.868 -0.566 0.000 0.979 268 T HN 0.277 nan 8.240 nan 0.000 0.446 269 I N 2.403 122.840 120.570 -0.221 0.000 2.359 269 I HA 0.554 4.724 4.170 -0.000 0.000 0.294 269 I C -0.471 175.692 176.117 0.076 0.000 0.987 269 I CA 0.161 61.441 61.300 -0.034 0.000 1.225 269 I CB 1.239 39.276 38.000 0.062 0.000 1.366 269 I HN 0.517 nan 8.210 nan 0.000 0.466 270 S N 7.360 123.195 115.700 0.225 0.000 2.502 270 S HA 0.577 5.047 4.470 -0.000 0.000 0.304 270 S C -1.001 173.769 174.600 0.282 0.000 1.097 270 S CA -0.505 57.841 58.200 0.243 0.000 1.045 270 S CB 1.458 64.816 63.200 0.263 0.000 1.019 270 S HN 0.587 nan 8.310 nan 0.000 0.481 271 L N 4.887 126.310 121.223 0.335 0.000 2.264 271 L HA 0.588 4.928 4.340 -0.000 0.000 0.289 271 L C -1.383 175.671 176.870 0.307 0.000 1.044 271 L CA -0.088 54.977 54.840 0.374 0.000 0.807 271 L CB 0.210 42.532 42.059 0.440 0.000 1.192 271 L HN 0.578 nan 8.230 nan 0.000 0.425 272 L N 4.274 125.669 121.223 0.286 0.000 2.322 272 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 272 L C -0.599 176.375 176.870 0.173 0.000 1.014 272 L CA -0.828 54.133 54.840 0.202 0.000 0.815 272 L CB 1.696 43.852 42.059 0.162 0.000 1.247 272 L HN 0.537 nan 8.230 nan 0.000 0.421 273 D N 1.732 122.191 120.400 0.098 0.000 2.339 273 D HA 0.115 4.755 4.640 -0.000 0.000 0.241 273 D C 0.538 176.732 176.300 -0.177 0.000 1.183 273 D CA -0.170 53.750 54.000 -0.133 0.000 0.859 273 D CB 1.274 42.050 40.800 -0.041 0.000 1.067 273 D HN 0.608 nan 8.370 nan 0.000 0.484 274 T N -0.009 114.376 114.554 -0.281 0.000 3.293 274 T HA 0.151 4.501 4.350 -0.000 0.000 0.276 274 T C 1.294 175.862 174.700 -0.219 0.000 1.003 274 T CA -0.485 61.499 62.100 -0.193 0.000 0.916 274 T CB -0.017 68.756 68.868 -0.158 0.000 1.134 274 T HN 0.093 nan 8.240 nan 0.000 0.530 275 S N 2.066 117.606 115.700 -0.266 0.000 2.447 275 S HA 0.054 4.524 4.470 -0.000 0.000 0.233 275 S C 0.804 175.314 174.600 -0.150 0.000 1.006 275 S CA 0.364 58.427 58.200 -0.229 0.000 0.957 275 S CB -0.208 62.853 63.200 -0.232 0.000 0.773 275 S HN 0.627 nan 8.310 nan 0.000 0.507 276 N N 1.714 120.341 118.700 -0.122 0.000 2.446 276 N HA 0.202 4.942 4.740 -0.000 0.000 0.265 276 N C -0.009 175.454 175.510 -0.078 0.000 0.975 276 N CA -0.301 52.696 53.050 -0.089 0.000 0.928 276 N CB 1.270 39.715 38.487 -0.070 0.000 1.160 276 N HN 0.044 nan 8.380 nan 0.000 0.495 277 L N 1.354 122.534 121.223 -0.072 0.000 2.376 277 L HA 0.009 4.349 4.340 -0.000 0.000 0.219 277 L C 1.258 178.097 176.870 -0.051 0.000 1.133 277 L CA 1.386 56.188 54.840 -0.063 0.000 0.816 277 L CB -0.479 41.544 42.059 -0.059 0.000 0.933 277 L HN 0.498 nan 8.230 nan 0.000 0.449 278 E N 0.140 120.313 120.200 -0.046 0.000 2.437 278 E HA 0.354 4.703 4.350 -0.000 0.000 0.195 278 E C 0.022 176.603 176.600 -0.033 0.000 1.029 278 E CA 0.063 56.441 56.400 -0.036 0.000 0.948 278 E CB 0.717 30.398 29.700 -0.032 0.000 1.082 278 E HN 0.331 nan 8.360 nan 0.000 0.456 279 L N 0.608 121.808 121.223 -0.037 0.000 2.466 279 L HA 0.422 4.761 4.340 -0.000 0.000 0.258 279 L C -2.474 174.377 176.870 -0.032 0.000 0.973 279 L CA -2.247 52.575 54.840 -0.031 0.000 0.826 279 L CB 1.961 44.002 42.059 -0.031 0.000 1.372 279 L HN -0.194 nan 8.230 nan 0.000 0.409 280 P HA 0.054 nan 4.420 nan 0.000 0.270 280 P C -0.906 176.382 177.300 -0.019 0.000 1.227 280 P CA -0.455 62.635 63.100 -0.018 0.000 0.788 280 P CB 0.294 31.987 31.700 -0.011 0.000 0.926 281 E N 0.349 120.543 120.200 -0.010 0.000 2.415 281 E HA 0.376 4.726 4.350 -0.000 0.000 0.262 281 E C -0.834 175.772 176.600 0.010 0.000 1.038 281 E CA -0.738 55.661 56.400 -0.002 0.000 0.921 281 E CB 0.353 30.068 29.700 0.026 0.000 0.950 281 E HN 0.379 nan 8.360 nan 0.000 0.438 282 A N 3.373 126.204 122.820 0.019 0.000 2.330 282 A HA 0.400 4.720 4.320 -0.000 0.000 0.313 282 A C -0.447 177.178 177.584 0.069 0.000 1.124 282 A CA -0.923 51.135 52.037 0.035 0.000 0.774 282 A CB 1.411 20.428 19.000 0.029 0.000 1.198 282 A HN 0.458 nan 8.150 nan 0.000 0.465 283 V N 3.544 123.498 119.914 0.067 0.000 2.529 283 V HA 0.070 4.189 4.120 -0.000 0.000 0.292 283 V C 1.127 177.296 176.094 0.124 0.000 1.028 283 V CA 0.231 62.588 62.300 0.096 0.000 1.074 283 V CB 0.984 32.845 31.823 0.064 0.000 0.958 283 V HN 0.722 nan 8.190 nan 0.000 0.481 284 V N 4.585 124.610 119.914 0.185 0.000 3.085 284 V HA 0.310 4.430 4.120 -0.000 0.000 0.245 284 V C 0.155 176.420 176.094 0.285 0.000 1.114 284 V CA 0.683 63.115 62.300 0.219 0.000 1.108 284 V CB 0.098 32.080 31.823 0.264 0.000 0.798 284 V HN 0.733 nan 8.190 nan 0.000 0.471 285 F N 0.144 120.155 119.950 0.102 0.000 2.672 285 F HA 0.583 5.110 4.527 -0.001 0.000 0.311 285 F C -1.299 174.560 175.800 0.098 0.000 1.113 285 F CA -0.514 57.538 58.000 0.086 0.000 0.996 285 F CB 1.498 40.548 39.000 0.083 0.000 1.286 285 F HN -0.095 nan 8.300 nan 0.000 0.441 286 Q N 3.847 123.193 119.800 -0.756 0.000 2.397 286 Q HA 0.447 4.787 4.340 -0.000 0.000 0.275 286 Q C -2.025 173.385 176.000 -0.984 0.000 1.090 286 Q CA -1.120 54.304 55.803 -0.632 0.000 0.809 286 Q CB 2.926 31.522 28.738 -0.237 0.000 1.362 286 Q HN 0.612 nan 8.270 nan 0.000 0.431 287 D N -0.280 119.783 120.400 -0.561 0.000 2.596 287 D HA 0.595 5.235 4.640 -0.000 0.000 0.234 287 D C -1.445 174.756 176.300 -0.165 0.000 1.181 287 D CA -0.247 53.564 54.000 -0.315 0.000 0.856 287 D CB 2.424 43.163 40.800 -0.102 0.000 1.498 287 D HN 0.384 nan 8.370 nan 0.000 0.446 288 S N -0.220 115.407 115.700 -0.121 0.000 2.595 288 S HA 0.726 5.196 4.470 -0.000 0.000 0.281 288 S C -1.066 173.469 174.600 -0.107 0.000 1.117 288 S CA -0.724 57.408 58.200 -0.112 0.000 0.873 288 S CB 1.723 64.864 63.200 -0.099 0.000 1.108 288 S HN 0.456 nan 8.310 nan 0.000 0.477 289 V N -0.397 119.441 119.914 -0.126 0.000 2.588 289 V HA 0.869 4.988 4.120 -0.000 0.000 0.304 289 V C -0.896 175.067 176.094 -0.218 0.000 1.042 289 V CA -0.732 61.433 62.300 -0.224 0.000 0.877 289 V CB 1.335 32.958 31.823 -0.333 0.000 0.996 289 V HN 0.552 nan 8.190 nan 0.000 0.425 290 V N 5.133 124.915 119.914 -0.220 0.000 2.370 290 V HA 0.567 4.687 4.120 -0.000 0.000 0.283 290 V C -0.488 175.549 176.094 -0.096 0.000 1.023 290 V CA -0.177 62.089 62.300 -0.057 0.000 0.857 290 V CB 1.008 32.873 31.823 0.071 0.000 0.985 290 V HN 0.779 nan 8.190 nan 0.000 0.443 291 F N 3.320 123.340 119.950 0.116 0.000 2.458 291 F HA 0.651 5.178 4.527 0.000 0.000 0.330 291 F C 0.482 176.238 175.800 -0.073 0.000 1.082 291 F CA -0.603 57.462 58.000 0.109 0.000 0.995 291 F CB 1.552 40.588 39.000 0.060 0.000 1.170 291 F HN 0.332 nan 8.300 nan 0.000 0.478 292 R N 1.740 122.203 120.500 -0.062 0.000 2.393 292 R HA 0.630 4.970 4.340 -0.000 0.000 0.310 292 R C -1.506 174.748 176.300 -0.076 0.000 0.968 292 R CA -0.637 55.204 56.100 -0.432 0.000 0.867 292 R CB 1.354 30.836 30.300 -1.363 0.000 1.124 292 R HN 0.553 nan 8.270 nan 0.000 0.450 293 V N 4.126 123.963 119.914 -0.128 0.000 2.508 293 V HA 0.200 4.320 4.120 -0.000 0.000 0.281 293 V C 0.565 176.582 176.094 -0.127 0.000 1.041 293 V CA -0.348 61.912 62.300 -0.067 0.000 1.016 293 V CB 0.993 32.779 31.823 -0.061 0.000 0.984 293 V HN 0.938 nan 8.190 nan 0.000 0.478 294 A N 9.160 131.967 122.820 -0.021 0.000 2.488 294 A HA 0.505 4.824 4.320 -0.000 0.000 0.249 294 A C -1.816 175.597 177.584 -0.284 0.000 1.083 294 A CA -0.953 50.997 52.037 -0.146 0.000 0.768 294 A CB -0.170 18.955 19.000 0.208 0.000 1.017 294 A HN 0.688 nan 8.150 nan 0.000 0.496 295 P HA 0.096 nan 4.420 nan 0.000 0.274 295 P C -0.725 176.503 177.300 -0.121 0.000 1.246 295 P CA -0.426 62.484 63.100 -0.317 0.000 0.795 295 P CB 0.533 31.928 31.700 -0.508 0.000 1.006 296 W N 2.876 124.032 121.300 -0.239 0.000 2.311 296 W HA 0.452 5.112 4.660 -0.000 0.000 0.310 296 W C -0.912 175.378 176.519 -0.382 0.000 1.274 296 W CA 0.124 57.278 57.345 -0.319 0.000 1.215 296 W CB 0.080 29.239 29.460 -0.500 0.000 1.227 296 W HN 0.164 nan 8.180 nan 0.000 0.523 297 I N 7.880 127.759 120.570 -1.150 0.000 2.545 297 I HA 0.322 4.492 4.170 -0.000 0.000 0.292 297 I C 0.168 175.536 176.117 -1.248 0.000 1.040 297 I CA -1.066 59.595 61.300 -1.066 0.000 1.068 297 I CB 1.751 39.132 38.000 -1.032 0.000 1.251 297 I HN 0.308 nan 8.210 nan 0.000 0.424 298 M N 3.601 122.734 119.600 -0.778 0.000 2.471 298 M HA 0.456 4.935 4.480 -0.000 0.000 0.309 298 M C -0.317 175.931 176.300 -0.087 0.000 1.186 298 M CA -0.526 54.481 55.300 -0.488 0.000 1.008 298 M CB 2.061 34.485 32.600 -0.294 0.000 1.551 298 M HN 0.592 nan 8.290 nan 0.000 0.477 299 T N -0.310 114.224 114.554 -0.033 0.000 2.809 299 T HA 0.590 4.939 4.350 -0.000 0.000 0.284 299 T C -2.678 171.997 174.700 -0.042 0.000 0.992 299 T CA -1.783 60.289 62.100 -0.048 0.000 0.957 299 T CB 1.004 69.812 68.868 -0.100 0.000 0.942 299 T HN 0.330 nan 8.240 nan 0.000 0.439 300 P HA 0.228 nan 4.420 nan 0.000 0.273 300 P C 0.399 177.676 177.300 -0.038 0.000 1.250 300 P CA -0.447 62.618 63.100 -0.059 0.000 0.793 300 P CB 0.732 32.358 31.700 -0.124 0.000 1.011 301 N N -0.447 118.260 118.700 0.011 0.000 2.443 301 N HA -0.091 4.648 4.740 -0.000 0.000 0.184 301 N C 1.456 176.987 175.510 0.036 0.000 1.037 301 N CA 1.452 54.538 53.050 0.060 0.000 0.896 301 N CB -0.913 37.649 38.487 0.124 0.000 0.959 301 N HN 0.566 nan 8.380 nan 0.000 0.442 302 T N -2.601 111.953 114.554 0.000 0.000 3.113 302 T HA 0.072 4.422 4.350 -0.000 0.000 0.256 302 T C 0.737 175.417 174.700 -0.034 0.000 1.131 302 T CA 0.167 62.276 62.100 0.015 0.000 1.074 302 T CB 0.185 69.075 68.868 0.036 0.000 0.944 302 T HN -0.099 nan 8.240 nan 0.000 0.516 303 Q N 2.608 122.345 119.800 -0.105 0.000 2.288 303 Q HA 0.356 4.696 4.340 -0.000 0.000 0.254 303 Q C -2.649 173.293 176.000 -0.096 0.000 0.932 303 Q CA -2.668 53.027 55.803 -0.180 0.000 0.902 303 Q CB 1.155 29.684 28.738 -0.348 0.000 1.203 303 Q HN 0.237 nan 8.270 nan 0.000 0.415 304 P HA 0.085 nan 4.420 nan 0.000 0.268 304 P C -2.402 174.880 177.300 -0.031 0.000 1.204 304 P CA -0.937 62.140 63.100 -0.038 0.000 0.768 304 P CB -0.007 31.672 31.700 -0.036 0.000 0.842 305 P HA 0.165 nan 4.420 nan 0.000 0.278 305 P C -0.160 177.145 177.300 0.008 0.000 1.238 305 P CA 0.067 63.177 63.100 0.018 0.000 0.794 305 P CB 1.367 33.090 31.700 0.037 0.000 0.955 306 Q N 0.138 119.949 119.800 0.017 0.000 2.342 306 Q HA 0.169 4.509 4.340 -0.000 0.000 0.261 306 Q C 0.171 176.174 176.000 0.005 0.000 0.841 306 Q CA 0.257 56.064 55.803 0.008 0.000 0.969 306 Q CB 1.163 29.904 28.738 0.005 0.000 1.136 306 Q HN 0.571 nan 8.270 nan 0.000 0.528 307 E N 0.199 120.407 120.200 0.013 0.000 2.347 307 E HA 0.357 4.706 4.350 -0.000 0.000 0.285 307 E C -1.749 174.782 176.600 -0.115 0.000 0.925 307 E CA -0.403 55.952 56.400 -0.074 0.000 0.779 307 E CB 2.196 31.846 29.700 -0.082 0.000 1.233 307 E HN -0.137 nan 8.360 nan 0.000 0.414 308 V N 3.946 123.745 119.914 -0.191 0.000 2.547 308 V HA 0.489 4.609 4.120 -0.000 0.000 0.299 308 V C -1.115 174.831 176.094 -0.247 0.000 1.040 308 V CA -0.475 61.763 62.300 -0.104 0.000 0.913 308 V CB 1.263 33.063 31.823 -0.037 0.000 0.992 308 V HN 0.572 nan 8.190 nan 0.000 0.449 309 Y N 1.941 122.292 120.300 0.084 0.000 2.409 309 Y HA 0.817 5.367 4.550 -0.001 0.000 0.343 309 Y C 0.243 176.165 175.900 0.037 0.000 0.973 309 Y CA -0.507 57.646 58.100 0.089 0.000 1.064 309 Y CB 2.232 40.777 38.460 0.141 0.000 1.207 309 Y HN 0.790 nan 8.280 nan 0.000 0.452 310 A N 0.774 123.679 122.820 0.141 0.000 2.606 310 A HA 0.686 5.005 4.320 -0.000 0.000 0.293 310 A C -1.181 176.394 177.584 -0.015 0.000 1.082 310 A CA -0.745 51.344 52.037 0.086 0.000 0.685 310 A CB 0.749 19.830 19.000 0.135 0.000 1.284 310 A HN 1.127 nan 8.150 nan 0.000 0.408 311 C N 0.368 119.623 119.300 -0.075 0.000 3.335 311 C HA 0.703 5.163 4.460 -0.000 0.000 0.217 311 C C 0.664 175.583 174.990 -0.118 0.000 1.330 311 C CA -0.198 58.722 59.018 -0.163 0.000 1.470 311 C CB -0.802 26.749 27.740 -0.315 0.000 1.806 311 C HN 0.581 nan 8.230 nan 0.000 0.468 312 S N 0.973 116.697 115.700 0.039 0.000 2.540 312 S HA 0.232 4.702 4.470 -0.000 0.000 0.218 312 S C 0.802 175.531 174.600 0.215 0.000 0.977 312 S CA -0.027 58.284 58.200 0.184 0.000 0.918 312 S CB -0.158 63.239 63.200 0.329 0.000 0.806 312 S HN 0.757 nan 8.310 nan 0.000 0.496 313 I N 4.348 124.990 120.570 0.121 0.000 2.472 313 I HA 0.219 4.388 4.170 -0.000 0.000 0.305 313 I C -0.005 176.231 176.117 0.197 0.000 1.196 313 I CA 0.143 61.520 61.300 0.128 0.000 1.613 313 I CB -2.175 35.867 38.000 0.068 0.000 1.501 313 I HN 0.277 nan 8.210 nan 0.000 0.754 314 F N 3.835 123.748 119.950 -0.060 0.000 3.084 314 F HA 0.417 4.944 4.527 -0.000 0.000 0.336 314 F C 1.526 177.282 175.800 -0.073 0.000 1.230 314 F CA -0.935 57.010 58.000 -0.092 0.000 0.993 314 F CB 0.578 39.483 39.000 -0.157 0.000 1.496 314 F HN 0.242 nan 8.300 nan 0.000 0.522 315 E N 0.897 120.638 120.200 -0.766 0.000 2.271 315 E HA -0.261 4.089 4.350 -0.000 0.000 0.209 315 E C -0.637 175.765 176.600 -0.329 0.000 1.046 315 E CA 1.682 57.738 56.400 -0.574 0.000 0.840 315 E CB -0.638 28.628 29.700 -0.723 0.000 0.738 315 E HN 0.540 nan 8.360 nan 0.000 0.470 316 N N 0.359 118.906 118.700 -0.254 0.000 2.296 316 N HA 0.131 4.871 4.740 -0.000 0.000 0.294 316 N C -0.607 175.003 175.510 0.167 0.000 1.033 316 N CA -0.295 52.751 53.050 -0.007 0.000 0.839 316 N CB 2.026 40.520 38.487 0.012 0.000 1.395 316 N HN 0.009 nan 8.380 nan 0.000 0.479 317 E N 0.196 120.481 120.200 0.142 0.000 2.431 317 E HA 0.062 4.411 4.350 -0.000 0.000 0.200 317 E C 0.204 176.904 176.600 0.166 0.000 0.995 317 E CA 0.376 56.865 56.400 0.150 0.000 0.915 317 E CB 0.481 30.234 29.700 0.088 0.000 0.930 317 E HN 0.449 nan 8.360 nan 0.000 0.496 318 D N -0.073 120.440 120.400 0.188 0.000 2.183 318 D HA -0.069 4.571 4.640 -0.000 0.000 0.205 318 D C 1.508 177.933 176.300 0.208 0.000 0.962 318 D CA 0.352 54.454 54.000 0.170 0.000 0.849 318 D CB -0.183 40.715 40.800 0.163 0.000 0.978 318 D HN 0.112 nan 8.370 nan 0.000 0.488 319 F N 1.891 121.935 119.950 0.157 0.000 2.063 319 F HA -0.222 4.304 4.527 -0.000 0.000 0.298 319 F C 2.161 178.025 175.800 0.105 0.000 1.109 319 F CA 1.320 59.416 58.000 0.160 0.000 1.212 319 F CB -0.377 38.790 39.000 0.278 0.000 0.973 319 F HN -0.092 nan 8.300 nan 0.000 0.480 320 L N 0.208 121.595 121.223 0.274 0.000 2.083 320 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 320 L C 2.436 179.307 176.870 0.000 0.000 1.083 320 L CA 1.564 56.480 54.840 0.125 0.000 0.752 320 L CB -0.495 41.694 42.059 0.218 0.000 0.899 320 L HN 0.154 nan 8.230 nan 0.000 0.433 321 K N -0.724 119.692 120.400 0.027 0.000 2.063 321 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 321 K C 2.133 178.703 176.600 -0.051 0.000 1.048 321 K CA 1.800 58.087 56.287 -0.001 0.000 0.928 321 K CB -0.095 32.421 32.500 0.026 0.000 0.713 321 K HN 0.309 nan 8.250 nan 0.000 0.442 322 S N 0.590 116.238 115.700 -0.087 0.000 2.356 322 S HA -0.137 4.332 4.470 -0.000 0.000 0.223 322 S C 2.159 176.651 174.600 -0.180 0.000 1.032 322 S CA 1.508 59.632 58.200 -0.126 0.000 1.005 322 S CB -0.369 62.745 63.200 -0.143 0.000 0.867 322 S HN 0.350 nan 8.310 nan 0.000 0.449 323 V N 0.786 120.532 119.914 -0.280 0.000 2.427 323 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 323 V C 1.987 177.996 176.094 -0.141 0.000 1.051 323 V CA 2.214 64.366 62.300 -0.247 0.000 1.048 323 V CB -1.743 29.883 31.823 -0.328 0.000 0.666 323 V HN 0.402 nan 8.190 nan 0.000 0.456 324 T N 0.692 115.181 114.554 -0.108 0.000 2.746 324 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 324 T C 1.927 176.581 174.700 -0.076 0.000 1.039 324 T CA 2.358 64.416 62.100 -0.070 0.000 1.142 324 T CB -0.666 68.177 68.868 -0.040 0.000 0.866 324 T HN 0.684 nan 8.240 nan 0.000 0.444 325 T N 2.366 116.871 114.554 -0.081 0.000 2.708 325 T HA 0.033 4.383 4.350 -0.000 0.000 0.266 325 T C 1.983 176.611 174.700 -0.120 0.000 1.037 325 T CA 0.866 62.916 62.100 -0.085 0.000 1.146 325 T CB -0.461 68.365 68.868 -0.069 0.000 0.865 325 T HN 0.241 nan 8.240 nan 0.000 0.435 326 L N 0.634 121.780 121.223 -0.128 0.000 2.046 326 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 326 L C 3.053 179.829 176.870 -0.157 0.000 1.077 326 L CA 1.285 56.033 54.840 -0.153 0.000 0.747 326 L CB -0.701 41.292 42.059 -0.109 0.000 0.896 326 L HN 0.262 nan 8.230 nan 0.000 0.432 327 A N -0.454 122.299 122.820 -0.111 0.000 1.883 327 A HA -0.292 4.027 4.320 -0.000 0.000 0.217 327 A C 2.314 179.839 177.584 -0.098 0.000 1.186 327 A CA 2.001 53.985 52.037 -0.088 0.000 0.624 327 A CB -0.525 18.432 19.000 -0.071 0.000 0.822 327 A HN 0.352 nan 8.150 nan 0.000 0.444 328 M N -0.722 118.817 119.600 -0.102 0.000 2.065 328 M HA -0.222 4.258 4.480 -0.000 0.000 0.259 328 M C 2.195 178.416 176.300 -0.132 0.000 1.071 328 M CA 2.130 57.373 55.300 -0.094 0.000 1.109 328 M CB -0.275 32.277 32.600 -0.080 0.000 1.313 328 M HN 0.372 nan 8.290 nan 0.000 0.408 329 K N -0.324 119.947 120.400 -0.215 0.000 2.089 329 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 329 K C 1.575 177.969 176.600 -0.343 0.000 1.048 329 K CA 1.652 57.718 56.287 -0.368 0.000 0.926 329 K CB -0.324 31.754 32.500 -0.703 0.000 0.714 329 K HN 0.416 nan 8.250 nan 0.000 0.448 330 A N 0.739 123.404 122.820 -0.260 0.000 2.238 330 A HA 0.013 4.333 4.320 -0.000 0.000 0.208 330 A C 0.060 177.628 177.584 -0.026 0.000 1.177 330 A CA 0.254 52.252 52.037 -0.064 0.000 0.804 330 A CB -0.044 18.950 19.000 -0.010 0.000 0.823 330 A HN 0.252 nan 8.150 nan 0.000 0.482 331 K N -1.845 118.526 120.400 -0.048 0.000 3.117 331 K HA -0.155 4.164 4.320 -0.000 0.000 0.269 331 K C -0.575 176.010 176.600 -0.024 0.000 1.098 331 K CA 0.826 57.096 56.287 -0.029 0.000 0.785 331 K CB -3.102 29.391 32.500 -0.011 0.000 1.242 331 K HN 0.531 nan 8.250 nan 0.000 0.491 332 C N 1.306 120.586 119.300 -0.034 0.000 2.366 332 C HA 0.378 4.837 4.460 -0.000 0.000 0.345 332 C C 0.655 175.621 174.990 -0.040 0.000 1.209 332 C CA -1.267 57.732 59.018 -0.032 0.000 2.050 332 C CB 1.102 28.822 27.740 -0.034 0.000 2.359 332 C HN 0.229 nan 8.230 nan 0.000 0.527 333 K N 2.119 122.495 120.400 -0.039 0.000 2.380 333 K HA 0.253 4.573 4.320 -0.000 0.000 0.267 333 K C -0.476 176.072 176.600 -0.087 0.000 0.990 333 K CA 0.062 56.320 56.287 -0.049 0.000 0.946 333 K CB 0.401 32.879 32.500 -0.036 0.000 0.937 333 K HN 0.531 nan 8.250 nan 0.000 0.491 334 L N 1.960 123.135 121.223 -0.081 0.000 2.409 334 L HA 0.372 4.712 4.340 -0.000 0.000 0.272 334 L C -0.818 176.001 176.870 -0.084 0.000 0.980 334 L CA -0.182 54.600 54.840 -0.098 0.000 0.826 334 L CB 1.671 43.695 42.059 -0.058 0.000 1.268 334 L HN 0.783 nan 8.230 nan 0.000 0.407 335 T N 4.495 118.973 114.554 -0.127 0.000 2.876 335 T HA 0.763 5.113 4.350 -0.000 0.000 0.289 335 T C -0.678 174.065 174.700 0.072 0.000 1.014 335 T CA -0.470 61.627 62.100 -0.006 0.000 0.986 335 T CB 1.530 70.427 68.868 0.048 0.000 1.021 335 T HN 0.481 nan 8.240 nan 0.000 0.458 336 I N 2.741 123.369 120.570 0.096 0.000 2.545 336 I HA 0.463 4.632 4.170 -0.000 0.000 0.292 336 I C -0.264 175.877 176.117 0.040 0.000 1.040 336 I CA -1.005 60.327 61.300 0.053 0.000 1.068 336 I CB 2.069 40.097 38.000 0.047 0.000 1.251 336 I HN 0.821 nan 8.210 nan 0.000 0.424 337 C N 9.077 128.316 119.300 -0.102 0.000 2.255 337 C HA 0.597 5.057 4.460 -0.000 0.000 0.326 337 C C -2.207 172.736 174.990 -0.078 0.000 1.258 337 C CA -1.957 56.965 59.018 -0.159 0.000 1.676 337 C CB 0.506 27.873 27.740 -0.621 0.000 2.314 337 C HN 0.471 nan 8.230 nan 0.000 0.509 338 P HA 0.161 nan 4.420 nan 0.000 0.276 338 P C 0.507 177.809 177.300 0.003 0.000 1.244 338 P CA 0.193 63.301 63.100 0.014 0.000 0.801 338 P CB 0.581 32.302 31.700 0.035 0.000 1.006 339 E N 1.247 121.461 120.200 0.024 0.000 2.130 339 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 339 E C 0.860 177.469 176.600 0.015 0.000 0.998 339 E CA 1.624 58.041 56.400 0.030 0.000 0.806 339 E CB -0.657 29.074 29.700 0.051 0.000 0.738 339 E HN 0.417 nan 8.360 nan 0.000 0.459 340 E N 1.012 121.222 120.200 0.017 0.000 2.204 340 E HA -0.119 4.230 4.350 -0.000 0.000 0.194 340 E C 1.694 178.304 176.600 0.016 0.000 0.989 340 E CA 1.407 57.817 56.400 0.016 0.000 0.824 340 E CB 0.012 29.723 29.700 0.019 0.000 0.756 340 E HN 0.516 nan 8.360 nan 0.000 0.477 341 E N -0.010 120.202 120.200 0.019 0.000 2.201 341 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 341 E C 1.482 178.083 176.600 0.002 0.000 0.957 341 E CA 0.064 56.482 56.400 0.030 0.000 0.858 341 E CB 0.095 29.837 29.700 0.072 0.000 0.816 341 E HN 0.130 nan 8.360 nan 0.000 0.475 342 N N 1.183 119.861 118.700 -0.037 0.000 2.137 342 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 342 N C 0.542 176.019 175.510 -0.055 0.000 1.017 342 N CA 0.969 53.970 53.050 -0.081 0.000 0.859 342 N CB -0.093 38.330 38.487 -0.107 0.000 1.002 342 N HN 0.115 nan 8.380 nan 0.000 0.428 343 M N 0.170 119.755 119.600 -0.025 0.000 2.503 343 M HA -0.228 4.251 4.480 -0.000 0.000 0.199 343 M C -0.610 175.680 176.300 -0.017 0.000 0.466 343 M CA 0.574 55.866 55.300 -0.013 0.000 0.510 343 M CB -2.352 30.242 32.600 -0.011 0.000 1.858 343 M HN 0.250 nan 8.290 nan 0.000 0.799 344 D N -1.352 119.036 120.400 -0.019 0.000 3.090 344 D HA -0.152 4.488 4.640 -0.000 0.000 0.215 344 D C 0.104 176.333 176.300 -0.118 0.000 1.140 344 D CA 1.583 55.581 54.000 -0.003 0.000 0.937 344 D CB -0.788 40.041 40.800 0.048 0.000 1.108 344 D HN 0.721 nan 8.370 nan 0.000 0.420 345 D N 1.353 121.653 120.400 -0.166 0.000 2.380 345 D HA 0.120 4.760 4.640 -0.000 0.000 0.230 345 D C 1.441 177.475 176.300 -0.443 0.000 1.154 345 D CA -0.111 53.756 54.000 -0.221 0.000 0.859 345 D CB 0.601 41.347 40.800 -0.091 0.000 1.045 345 D HN 0.307 nan 8.370 nan 0.000 0.495 346 Q N 2.852 122.154 119.800 -0.829 0.000 2.319 346 Q HA 0.037 4.377 4.340 -0.000 0.000 0.202 346 Q C -0.255 175.261 176.000 -0.808 0.000 0.896 346 Q CA -0.294 54.843 55.803 -1.110 0.000 0.942 346 Q CB 0.011 27.613 28.738 -1.894 0.000 1.083 346 Q HN 0.437 nan 8.270 nan 0.000 0.510 347 W N 1.699 122.915 121.300 -0.140 0.000 1.912 347 W HA 0.322 4.982 4.660 -0.000 0.000 0.399 347 W C 0.950 177.434 176.519 -0.058 0.000 0.800 347 W CA -0.953 56.366 57.345 -0.044 0.000 1.593 347 W CB 0.524 29.973 29.460 -0.017 0.000 1.769 347 W HN 0.154 nan 8.180 nan 0.000 0.281 348 M N 1.597 121.238 119.600 0.069 0.000 2.279 348 M HA -0.234 4.246 4.480 -0.000 0.000 0.264 348 M C 2.302 178.634 176.300 0.054 0.000 1.062 348 M CA 1.891 57.198 55.300 0.010 0.000 1.099 348 M CB -0.316 32.278 32.600 -0.009 0.000 1.394 348 M HN 0.342 nan 8.290 nan 0.000 0.426 349 Q N 0.170 120.027 119.800 0.096 0.000 2.170 349 Q HA -0.159 4.181 4.340 -0.000 0.000 0.203 349 Q C 1.200 177.247 176.000 0.080 0.000 0.976 349 Q CA 2.127 57.961 55.803 0.051 0.000 0.858 349 Q CB -0.237 28.515 28.738 0.023 0.000 0.907 349 Q HN 0.543 nan 8.270 nan 0.000 0.433 350 D N -0.804 119.650 120.400 0.090 0.000 2.277 350 D HA -0.056 4.584 4.640 -0.000 0.000 0.209 350 D C 1.233 177.452 176.300 -0.136 0.000 0.970 350 D CA 0.714 54.724 54.000 0.017 0.000 0.874 350 D CB 0.029 40.865 40.800 0.061 0.000 0.982 350 D HN 0.303 nan 8.370 nan 0.000 0.504 351 E N -0.020 120.117 120.200 -0.105 0.000 2.435 351 E HA 0.040 4.390 4.350 -0.000 0.000 0.195 351 E C 0.591 177.050 176.600 -0.235 0.000 1.029 351 E CA 0.222 56.495 56.400 -0.212 0.000 0.865 351 E CB 0.186 29.833 29.700 -0.089 0.000 0.833 351 E HN 0.311 nan 8.360 nan 0.000 0.510 352 M N -1.692 117.884 119.600 -0.039 0.000 2.644 352 M HA 0.611 5.091 4.480 -0.000 0.000 0.273 352 M C -1.606 174.872 176.300 0.297 0.000 1.253 352 M CA -1.025 54.345 55.300 0.118 0.000 0.852 352 M CB 2.202 34.825 32.600 0.039 0.000 1.708 352 M HN -0.245 nan 8.290 nan 0.000 0.471 353 E N 1.706 122.106 120.200 0.334 0.000 2.263 353 E HA 0.550 4.900 4.350 -0.000 0.000 0.268 353 E C -1.898 174.954 176.600 0.420 0.000 0.884 353 E CA -0.551 56.037 56.400 0.314 0.000 0.766 353 E CB 1.672 31.515 29.700 0.239 0.000 1.196 353 E HN 0.695 nan 8.360 nan 0.000 0.416 354 I N 4.417 125.193 120.570 0.344 0.000 2.297 354 I HA 0.496 4.666 4.170 -0.000 0.000 0.291 354 I C 0.879 177.188 176.117 0.320 0.000 1.033 354 I CA -0.174 61.364 61.300 0.396 0.000 1.253 354 I CB 0.195 38.414 38.000 0.366 0.000 1.396 354 I HN 0.620 nan 8.210 nan 0.000 0.476 355 G N 6.223 115.231 108.800 0.346 0.000 3.008 355 G HA2 0.705 4.665 3.960 -0.000 0.000 0.181 355 G HA3 0.705 4.665 3.960 -0.000 0.000 0.181 355 G C -1.258 173.647 174.900 0.008 0.000 1.309 355 G CA -0.301 44.687 45.100 -0.187 0.000 1.009 355 G HN 0.544 nan 8.290 nan 0.000 0.584 356 Y N -1.707 118.399 120.300 -0.324 0.000 2.638 356 Y HA 0.723 5.273 4.550 -0.001 0.000 0.335 356 Y C -0.825 175.055 175.900 -0.032 0.000 1.155 356 Y CA -1.775 56.272 58.100 -0.088 0.000 1.046 356 Y CB 1.051 39.471 38.460 -0.066 0.000 1.303 356 Y HN 0.731 nan 8.280 nan 0.000 0.460 357 I N 0.214 120.921 120.570 0.230 0.000 2.740 357 I HA 0.744 4.914 4.170 -0.000 0.000 0.303 357 I C -1.326 175.024 176.117 0.389 0.000 1.044 357 I CA -1.060 60.376 61.300 0.228 0.000 1.064 357 I CB 2.417 40.585 38.000 0.279 0.000 1.249 357 I HN 0.836 nan 8.210 nan 0.000 0.433 358 Q N 3.757 123.832 119.800 0.459 0.000 2.271 358 Q HA 0.777 5.117 4.340 -0.000 0.000 0.268 358 Q C -1.991 174.432 176.000 0.706 0.000 1.021 358 Q CA -0.624 55.521 55.803 0.571 0.000 0.802 358 Q CB 2.444 31.622 28.738 0.734 0.000 1.282 358 Q HN 1.045 nan 8.270 nan 0.000 0.431 359 A N 3.831 126.894 122.820 0.406 0.000 2.532 359 A HA 0.737 5.057 4.320 -0.000 0.000 0.290 359 A C -2.487 175.204 177.584 0.177 0.000 1.143 359 A CA -1.456 50.735 52.037 0.256 0.000 0.728 359 A CB 1.262 20.222 19.000 -0.066 0.000 1.317 359 A HN 0.649 nan 8.150 nan 0.000 0.414 360 P HA -0.146 nan 4.420 nan 0.000 0.220 360 P C 0.815 178.201 177.300 0.143 0.000 1.148 360 P CA 1.775 64.958 63.100 0.138 0.000 0.803 360 P CB -0.087 31.605 31.700 -0.013 0.000 0.782 361 H N -1.890 117.237 119.070 0.094 0.000 2.563 361 H HA 0.351 4.906 4.556 -0.001 0.000 0.264 361 H C 0.347 175.739 175.328 0.107 0.000 0.957 361 H CA 0.394 56.497 56.048 0.091 0.000 1.173 361 H CB 0.233 30.045 29.762 0.084 0.000 1.420 361 H HN -0.042 nan 8.280 nan 0.000 0.551 362 K N 0.683 120.936 120.400 -0.245 0.000 2.583 362 K HA 0.292 4.612 4.320 -0.000 0.000 0.260 362 K C -1.825 174.756 176.600 -0.032 0.000 0.931 362 K CA -0.259 55.957 56.287 -0.118 0.000 0.849 362 K CB 1.904 34.332 32.500 -0.120 0.000 1.347 362 K HN 0.039 nan 8.250 nan 0.000 0.425 363 T N 4.484 119.063 114.554 0.042 0.000 2.848 363 T HA 0.728 5.077 4.350 -0.000 0.000 0.285 363 T C -1.160 173.582 174.700 0.071 0.000 0.995 363 T CA -0.739 61.421 62.100 0.099 0.000 0.970 363 T CB 0.449 69.362 68.868 0.074 0.000 0.976 363 T HN 0.553 nan 8.240 nan 0.000 0.441 364 L N 1.291 122.582 121.223 0.113 0.000 2.424 364 L HA 0.882 5.221 4.340 -0.000 0.000 0.258 364 L C -3.030 173.877 176.870 0.061 0.000 0.995 364 L CA -2.781 52.090 54.840 0.052 0.000 0.821 364 L CB 1.971 44.069 42.059 0.066 0.000 1.383 364 L HN 0.250 nan 8.230 nan 0.000 0.410 365 P HA 0.275 nan 4.420 nan 0.000 0.275 365 P C -1.064 176.224 177.300 -0.020 0.000 1.228 365 P CA -0.259 62.718 63.100 -0.206 0.000 0.786 365 P CB 1.819 33.051 31.700 -0.780 0.000 0.927 366 V N 2.918 123.008 119.914 0.293 0.000 2.612 366 V HA 0.144 4.264 4.120 -0.000 0.000 0.301 366 V C 0.010 176.497 176.094 0.654 0.000 1.059 366 V CA -0.815 61.801 62.300 0.527 0.000 0.886 366 V CB 2.279 34.437 31.823 0.558 0.000 1.007 366 V HN 0.243 nan 8.190 nan 0.000 0.426 367 V N 5.185 125.420 119.914 0.536 0.000 2.432 367 V HA 0.331 4.451 4.120 -0.000 0.000 0.271 367 V C -0.150 175.986 176.094 0.069 0.000 1.046 367 V CA -0.320 62.176 62.300 0.326 0.000 0.945 367 V CB 0.950 32.848 31.823 0.125 0.000 0.992 367 V HN 0.665 nan 8.190 nan 0.000 0.471 368 F N 5.098 124.949 119.950 -0.165 0.000 2.404 368 F HA 0.424 4.951 4.527 -0.000 0.000 0.358 368 F C 0.116 175.812 175.800 -0.174 0.000 1.120 368 F CA -1.679 56.013 58.000 -0.512 0.000 1.144 368 F CB 0.793 39.214 39.000 -0.966 0.000 1.133 368 F HN 0.589 nan 8.300 nan 0.000 0.495 369 D N 4.442 124.723 120.400 -0.198 0.000 2.359 369 D HA 0.093 4.733 4.640 -0.000 0.000 0.230 369 D C -0.253 175.751 176.300 -0.495 0.000 1.118 369 D CA 0.084 53.917 54.000 -0.277 0.000 0.844 369 D CB 1.100 41.764 40.800 -0.227 0.000 1.059 369 D HN 0.465 nan 8.370 nan 0.000 0.493 370 S N 4.354 119.556 115.700 -0.829 0.000 2.562 370 S HA 0.180 4.650 4.470 -0.000 0.000 0.281 370 S C -1.438 172.773 174.600 -0.647 0.000 1.333 370 S CA -0.995 56.422 58.200 -1.305 0.000 1.052 370 S CB 1.065 63.093 63.200 -1.953 0.000 0.884 370 S HN 0.404 nan 8.310 nan 0.000 0.506 371 P HA -0.062 nan 4.420 nan 0.000 0.239 371 P C 1.083 178.227 177.300 -0.259 0.000 1.184 371 P CA 0.384 63.300 63.100 -0.306 0.000 0.760 371 P CB -0.168 31.372 31.700 -0.266 0.000 0.884 372 R N 0.599 120.907 120.500 -0.321 0.000 2.117 372 R HA -0.162 4.178 4.340 -0.000 0.000 0.243 372 R C 0.582 176.793 176.300 -0.149 0.000 1.143 372 R CA 1.346 57.314 56.100 -0.220 0.000 0.968 372 R CB -1.526 28.633 30.300 -0.235 0.000 0.863 372 R HN -0.089 nan 8.270 nan 0.000 0.444 373 N N 1.054 119.663 118.700 -0.151 0.000 2.714 373 N HA -0.168 4.572 4.740 -0.000 0.000 0.253 373 N C -0.849 174.624 175.510 -0.061 0.000 1.024 373 N CA 1.279 54.272 53.050 -0.095 0.000 0.726 373 N CB -0.665 37.770 38.487 -0.087 0.000 0.908 373 N HN 0.542 nan 8.380 nan 0.000 0.542 374 R N -0.329 120.142 120.500 -0.049 0.000 2.544 374 R HA 0.495 4.835 4.340 -0.000 0.000 0.205 374 R C 2.001 178.291 176.300 -0.016 0.000 1.324 374 R CA -0.096 55.991 56.100 -0.021 0.000 1.008 374 R CB -0.492 29.810 30.300 0.003 0.000 2.138 374 R HN 0.160 nan 8.270 nan 0.000 0.514 375 G N 0.835 109.629 108.800 -0.010 0.000 2.469 375 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 375 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 375 G C 0.955 175.843 174.900 -0.021 0.000 1.136 375 G CA 0.718 45.806 45.100 -0.019 0.000 0.759 375 G HN 0.086 nan 8.290 nan 0.000 0.562 376 L N 0.716 121.923 121.223 -0.026 0.000 2.650 376 L HA 0.216 4.556 4.340 -0.000 0.000 0.235 376 L C 2.302 179.198 176.870 0.043 0.000 1.149 376 L CA 0.472 55.309 54.840 -0.006 0.000 0.887 376 L CB -0.710 41.327 42.059 -0.038 0.000 1.021 376 L HN 0.274 nan 8.230 nan 0.000 0.441 377 K N 0.103 120.510 120.400 0.011 0.000 2.097 377 K HA -0.240 4.079 4.320 -0.000 0.000 0.214 377 K C 1.443 178.061 176.600 0.030 0.000 1.052 377 K CA 1.798 58.087 56.287 0.002 0.000 0.932 377 K CB 0.304 32.796 32.500 -0.014 0.000 0.716 377 K HN 0.258 nan 8.250 nan 0.000 0.455 378 E N -0.478 119.750 120.200 0.048 0.000 2.385 378 E HA -0.089 4.260 4.350 -0.000 0.000 0.194 378 E C 1.588 178.227 176.600 0.065 0.000 1.013 378 E CA 0.255 56.676 56.400 0.036 0.000 0.866 378 E CB -0.161 29.554 29.700 0.024 0.000 0.832 378 E HN 0.317 nan 8.360 nan 0.000 0.500 379 F N 2.540 122.471 119.950 -0.033 0.000 2.095 379 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 379 F C -0.906 174.872 175.800 -0.038 0.000 1.104 379 F CA 1.201 59.182 58.000 -0.031 0.000 1.232 379 F CB -1.094 37.887 39.000 -0.031 0.000 0.987 379 F HN 0.033 nan 8.300 nan 0.000 0.475 380 P HA -0.163 nan 4.420 nan 0.000 0.216 380 P C 1.848 179.098 177.300 -0.084 0.000 1.150 380 P CA 2.085 65.120 63.100 -0.108 0.000 0.837 380 P CB -0.151 31.604 31.700 0.091 0.000 0.786 381 I N -1.317 119.207 120.570 -0.076 0.000 2.333 381 I HA -0.117 4.053 4.170 -0.000 0.000 0.246 381 I C 2.383 178.379 176.117 -0.202 0.000 1.106 381 I CA 1.307 62.476 61.300 -0.218 0.000 1.411 381 I CB -0.448 37.399 38.000 -0.256 0.000 1.082 381 I HN -0.140 nan 8.210 nan 0.000 0.420 382 K N 0.338 120.637 120.400 -0.167 0.000 2.166 382 K HA 0.046 4.365 4.320 -0.000 0.000 0.201 382 K C 2.229 178.714 176.600 -0.190 0.000 1.052 382 K CA 0.683 56.885 56.287 -0.141 0.000 0.969 382 K CB 0.309 32.764 32.500 -0.075 0.000 0.761 382 K HN 0.090 nan 8.250 nan 0.000 0.459 383 R N -0.515 119.777 120.500 -0.347 0.000 2.221 383 R HA 0.112 4.452 4.340 -0.000 0.000 0.195 383 R C 2.029 178.017 176.300 -0.520 0.000 0.956 383 R CA 0.482 56.319 56.100 -0.439 0.000 1.064 383 R CB 0.014 29.936 30.300 -0.630 0.000 1.049 383 R HN 0.024 nan 8.270 nan 0.000 0.534 384 V N 1.326 120.844 119.914 -0.660 0.000 2.492 384 V HA 0.149 4.268 4.120 -0.000 0.000 0.241 384 V C 1.531 177.233 176.094 -0.654 0.000 1.041 384 V CA 0.338 62.202 62.300 -0.727 0.000 1.057 384 V CB -0.200 31.161 31.823 -0.769 0.000 0.711 384 V HN 0.181 nan 8.190 nan 0.000 0.468 385 M N 0.792 120.203 119.600 -0.314 0.000 2.248 385 M HA 0.467 4.947 4.480 -0.000 0.000 0.345 385 M C 0.255 176.529 176.300 -0.043 0.000 1.243 385 M CA 1.290 56.545 55.300 -0.076 0.000 1.090 385 M CB 0.377 32.977 32.600 -0.000 0.000 1.683 385 M HN 0.373 nan 8.290 nan 0.000 0.450 386 G N 4.109 112.962 108.800 0.089 0.000 2.348 386 G HA2 0.335 4.294 3.960 -0.000 0.000 0.296 386 G HA3 0.335 4.294 3.960 -0.000 0.000 0.296 386 G C -3.397 171.588 174.900 0.142 0.000 1.258 386 G CA -1.025 44.126 45.100 0.084 0.000 0.868 386 G HN 0.414 nan 8.290 nan 0.000 0.488 387 P HA 0.263 nan 4.420 nan 0.000 0.262 387 P C -0.641 176.745 177.300 0.144 0.000 1.199 387 P CA 0.657 63.820 63.100 0.105 0.000 0.763 387 P CB 0.369 32.112 31.700 0.073 0.000 0.790 388 D N 0.752 121.229 120.400 0.129 0.000 2.911 388 D HA -0.238 4.401 4.640 -0.000 0.000 0.227 388 D C -0.681 175.703 176.300 0.140 0.000 1.164 388 D CA 1.270 55.338 54.000 0.113 0.000 0.782 388 D CB -1.598 39.240 40.800 0.065 0.000 1.094 388 D HN 0.412 nan 8.370 nan 0.000 0.425 389 F N -0.008 120.008 119.950 0.110 0.000 2.577 389 F HA 0.476 5.003 4.527 -0.000 0.000 0.344 389 F C 1.031 176.928 175.800 0.162 0.000 1.145 389 F CA -0.600 57.482 58.000 0.138 0.000 0.996 389 F CB 1.204 40.275 39.000 0.119 0.000 1.248 389 F HN -0.085 nan 8.300 nan 0.000 0.447 390 G N 3.156 112.258 108.800 0.502 0.000 2.616 390 G HA2 0.198 4.158 3.960 -0.000 0.000 0.268 390 G HA3 0.198 4.158 3.960 -0.000 0.000 0.268 390 G C -2.200 172.979 174.900 0.466 0.000 1.213 390 G CA -0.133 45.221 45.100 0.424 0.000 0.926 390 G HN 0.615 nan 8.290 nan 0.000 0.523 391 Y N -0.599 119.844 120.300 0.238 0.000 2.477 391 Y HA 0.562 5.112 4.550 -0.000 0.000 0.347 391 Y C -0.673 175.301 175.900 0.123 0.000 0.981 391 Y CA -0.746 57.444 58.100 0.150 0.000 1.033 391 Y CB 2.222 40.730 38.460 0.079 0.000 1.245 391 Y HN 0.503 nan 8.280 nan 0.000 0.455 392 V N 3.344 122.898 119.914 -0.600 0.000 3.012 392 V HA 0.719 4.839 4.120 -0.000 0.000 0.307 392 V C -0.651 175.010 176.094 -0.722 0.000 1.166 392 V CA -0.801 61.155 62.300 -0.574 0.000 0.974 392 V CB 1.558 32.850 31.823 -0.885 0.000 1.040 392 V HN 0.826 nan 8.190 nan 0.000 0.428 393 T N 2.461 116.771 114.554 -0.406 0.000 2.883 393 T HA 0.793 5.143 4.350 -0.000 0.000 0.301 393 T C -1.338 173.276 174.700 -0.144 0.000 1.158 393 T CA -0.597 61.399 62.100 -0.173 0.000 1.007 393 T CB 1.922 70.738 68.868 -0.086 0.000 1.186 393 T HN 0.730 nan 8.240 nan 0.000 0.499 394 R N 0.453 120.934 120.500 -0.032 0.000 2.739 394 R HA 0.751 5.091 4.340 -0.000 0.000 0.271 394 R C -0.056 176.165 176.300 -0.131 0.000 1.010 394 R CA 0.034 56.076 56.100 -0.097 0.000 0.897 394 R CB 1.226 31.460 30.300 -0.109 0.000 1.236 394 R HN 1.281 nan 8.270 nan 0.000 0.466 395 G N 1.642 110.333 108.800 -0.182 0.000 2.707 395 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.686 395 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.686 395 G C -2.807 171.903 174.900 -0.317 0.000 1.315 395 G CA -1.057 43.815 45.100 -0.380 0.000 0.832 395 G HN 0.422 nan 8.290 nan 0.000 0.573 396 P HA 0.260 nan 4.420 nan 0.000 0.271 396 P C 0.080 177.284 177.300 -0.159 0.000 1.216 396 P CA 0.030 63.007 63.100 -0.205 0.000 0.776 396 P CB 1.143 32.749 31.700 -0.156 0.000 0.881 397 Q N 0.922 120.658 119.800 -0.107 0.000 2.352 397 Q HA 0.045 4.384 4.340 -0.000 0.000 0.212 397 Q C 1.085 177.043 176.000 -0.070 0.000 0.888 397 Q CA 0.914 56.662 55.803 -0.092 0.000 0.934 397 Q CB 0.220 28.915 28.738 -0.070 0.000 1.093 397 Q HN 0.620 nan 8.270 nan 0.000 0.523 398 T N -2.753 111.767 114.554 -0.058 0.000 3.296 398 T HA 0.580 4.929 4.350 -0.000 0.000 0.285 398 T C 0.452 175.129 174.700 -0.038 0.000 1.014 398 T CA 0.186 62.260 62.100 -0.044 0.000 0.920 398 T CB 0.547 69.395 68.868 -0.033 0.000 1.143 398 T HN 0.245 nan 8.240 nan 0.000 0.522 399 G N -0.682 108.092 108.800 -0.043 0.000 2.362 399 G HA2 0.460 4.420 3.960 -0.000 0.000 0.288 399 G HA3 0.460 4.420 3.960 -0.000 0.000 0.288 399 G C 0.270 175.158 174.900 -0.019 0.000 1.305 399 G CA 0.010 45.092 45.100 -0.029 0.000 0.910 399 G HN 1.345 nan 8.290 nan 0.000 0.518 400 G N -1.421 107.382 108.800 0.005 0.000 2.176 400 G HA2 0.075 4.034 3.960 -0.000 0.000 0.252 400 G HA3 0.075 4.034 3.960 -0.000 0.000 0.252 400 G C 0.011 174.966 174.900 0.092 0.000 1.024 400 G CA 1.152 46.281 45.100 0.049 0.000 0.755 400 G HN 1.514 nan 8.290 nan 0.000 0.507 401 I N 0.452 121.042 120.570 0.032 0.000 2.957 401 I HA 0.810 4.980 4.170 -0.000 0.000 0.310 401 I C 0.502 176.622 176.117 0.004 0.000 1.063 401 I CA -0.196 61.118 61.300 0.023 0.000 1.033 401 I CB 2.210 40.181 38.000 -0.047 0.000 1.230 401 I HN 0.500 nan 8.210 nan 0.000 0.447 402 S N 1.827 117.529 115.700 0.003 0.000 2.745 402 S HA 0.602 5.072 4.470 -0.000 0.000 0.306 402 S C 0.824 175.416 174.600 -0.013 0.000 1.137 402 S CA -0.099 58.094 58.200 -0.010 0.000 0.900 402 S CB 1.062 64.262 63.200 -0.000 0.000 1.176 402 S HN 0.803 nan 8.310 nan 0.000 0.520 403 G N 0.036 108.832 108.800 -0.007 0.000 2.470 403 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.220 403 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.220 403 G C 1.015 175.988 174.900 0.121 0.000 1.121 403 G CA 0.500 45.624 45.100 0.040 0.000 0.766 403 G HN 0.647 nan 8.290 nan 0.000 0.553 404 L N 0.575 121.846 121.223 0.081 0.000 2.599 404 L HA 0.093 4.433 4.340 -0.000 0.000 0.230 404 L C 1.257 178.157 176.870 0.050 0.000 1.141 404 L CA 0.455 55.353 54.840 0.098 0.000 0.877 404 L CB -0.168 41.965 42.059 0.123 0.000 1.009 404 L HN 0.117 nan 8.230 nan 0.000 0.447 405 D N -0.224 120.179 120.400 0.005 0.000 2.348 405 D HA 0.006 4.645 4.640 -0.000 0.000 0.211 405 D C 0.828 177.012 176.300 -0.194 0.000 0.998 405 D CA 0.259 54.230 54.000 -0.048 0.000 0.873 405 D CB 0.435 41.179 40.800 -0.092 0.000 0.925 405 D HN 0.097 nan 8.370 nan 0.000 0.524 406 S N 0.133 115.728 115.700 -0.175 0.000 2.549 406 S HA 0.116 4.585 4.470 -0.000 0.000 0.283 406 S C 0.973 175.471 174.600 -0.170 0.000 1.320 406 S CA -0.394 57.654 58.200 -0.253 0.000 1.058 406 S CB 0.430 63.559 63.200 -0.117 0.000 0.882 406 S HN 0.188 nan 8.310 nan 0.000 0.498 407 F N 1.095 120.893 119.950 -0.253 0.000 2.804 407 F HA 0.098 4.625 4.527 0.000 0.000 0.303 407 F C 2.249 177.957 175.800 -0.153 0.000 1.154 407 F CA -0.580 57.298 58.000 -0.203 0.000 1.401 407 F CB -0.076 38.821 39.000 -0.172 0.000 1.106 407 F HN 0.812 nan 8.300 nan 0.000 0.568 408 G N 0.214 108.970 108.800 -0.074 0.000 2.498 408 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 408 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 408 G C 1.209 176.035 174.900 -0.125 0.000 1.119 408 G CA 0.506 45.588 45.100 -0.030 0.000 0.766 408 G HN 0.233 nan 8.290 nan 0.000 0.552 409 N N -0.716 117.790 118.700 -0.323 0.000 2.268 409 N HA 0.149 4.889 4.740 -0.000 0.000 0.204 409 N C -0.478 175.064 175.510 0.053 0.000 1.124 409 N CA -0.283 52.701 53.050 -0.110 0.000 0.838 409 N CB 0.082 38.492 38.487 -0.129 0.000 0.994 409 N HN 0.182 nan 8.380 nan 0.000 0.489 410 L N 0.504 121.750 121.223 0.038 0.000 2.372 410 L HA 0.555 4.895 4.340 -0.000 0.000 0.273 410 L C -1.104 175.802 176.870 0.061 0.000 0.989 410 L CA -0.170 54.681 54.840 0.019 0.000 0.841 410 L CB 1.083 42.989 42.059 -0.255 0.000 1.225 410 L HN -0.090 nan 8.230 nan 0.000 0.414 411 E N 3.096 123.352 120.200 0.094 0.000 2.450 411 E HA 0.658 5.008 4.350 -0.000 0.000 0.272 411 E C -1.643 175.001 176.600 0.072 0.000 0.967 411 E CA -0.677 55.781 56.400 0.096 0.000 0.818 411 E CB 2.601 32.361 29.700 0.099 0.000 1.401 411 E HN 0.307 nan 8.360 nan 0.000 0.450 412 V N 0.541 120.476 119.914 0.034 0.000 2.932 412 V HA 0.417 4.537 4.120 -0.000 0.000 0.307 412 V C -0.563 175.406 176.094 -0.209 0.000 1.147 412 V CA -0.375 61.898 62.300 -0.046 0.000 0.951 412 V CB 2.026 33.830 31.823 -0.031 0.000 1.031 412 V HN 0.829 nan 8.190 nan 0.000 0.426 413 S N 6.843 122.338 115.700 -0.341 0.000 2.614 413 S HA 0.652 5.122 4.470 -0.000 0.000 0.265 413 S C -2.564 171.612 174.600 -0.705 0.000 1.303 413 S CA -0.865 56.847 58.200 -0.814 0.000 1.000 413 S CB 1.209 64.047 63.200 -0.603 0.000 0.935 413 S HN 0.662 nan 8.310 nan 0.000 0.551 414 P HA 0.326 nan 4.420 nan 0.000 0.273 414 P C -2.573 174.506 177.300 -0.368 0.000 1.250 414 P CA -1.322 61.437 63.100 -0.568 0.000 0.793 414 P CB -0.760 30.455 31.700 -0.808 0.000 1.011 415 P HA 0.053 nan 4.420 nan 0.000 0.265 415 P C -0.678 176.585 177.300 -0.061 0.000 1.187 415 P CA 0.787 63.792 63.100 -0.157 0.000 0.766 415 P CB 0.322 31.943 31.700 -0.131 0.000 0.820 416 V N 2.824 122.720 119.914 -0.030 0.000 3.048 416 V HA 0.404 4.523 4.120 -0.000 0.000 0.303 416 V C -0.899 175.258 176.094 0.105 0.000 1.214 416 V CA -0.287 62.047 62.300 0.057 0.000 0.984 416 V CB 2.881 34.700 31.823 -0.006 0.000 1.054 416 V HN 0.429 nan 8.190 nan 0.000 0.430 417 T N 4.183 118.797 114.554 0.100 0.000 2.812 417 T HA 0.618 4.968 4.350 -0.000 0.000 0.282 417 T C -0.909 173.854 174.700 0.105 0.000 0.990 417 T CA -0.343 61.809 62.100 0.087 0.000 0.960 417 T CB 1.438 70.322 68.868 0.026 0.000 0.948 417 T HN 0.448 nan 8.240 nan 0.000 0.438 418 V N 5.126 125.127 119.914 0.146 0.000 2.349 418 V HA 0.450 4.570 4.120 -0.000 0.000 0.284 418 V C 0.433 176.574 176.094 0.078 0.000 1.014 418 V CA -1.050 61.323 62.300 0.122 0.000 0.826 418 V CB 0.790 32.718 31.823 0.176 0.000 1.009 418 V HN 0.939 nan 8.190 nan 0.000 0.431 419 R N 3.758 124.283 120.500 0.042 0.000 3.188 419 R HA -0.242 4.098 4.340 -0.000 0.000 0.247 419 R C 1.390 177.695 176.300 0.010 0.000 0.918 419 R CA 0.751 56.864 56.100 0.021 0.000 0.629 419 R CB -1.470 28.842 30.300 0.019 0.000 1.087 419 R HN 1.504 nan 8.270 nan 0.000 0.462 420 G N -0.351 108.451 108.800 0.003 0.000 2.347 420 G HA2 -0.436 3.523 3.960 -0.000 0.000 0.247 420 G HA3 -0.436 3.523 3.960 -0.000 0.000 0.247 420 G C 0.201 175.074 174.900 -0.046 0.000 1.037 420 G CA 0.687 45.777 45.100 -0.017 0.000 0.622 420 G HN 0.447 nan 8.290 nan 0.000 0.521 421 K N 1.676 122.046 120.400 -0.050 0.000 2.316 421 K HA 0.457 4.777 4.320 -0.000 0.000 0.289 421 K C 0.286 176.743 176.600 -0.238 0.000 1.070 421 K CA -0.290 55.901 56.287 -0.160 0.000 0.928 421 K CB 0.412 32.804 32.500 -0.179 0.000 1.039 421 K HN 0.405 nan 8.250 nan 0.000 0.480 422 E N 4.019 124.037 120.200 -0.303 0.000 2.313 422 E HA 0.041 4.391 4.350 -0.000 0.000 0.276 422 E C -1.376 174.915 176.600 -0.516 0.000 1.031 422 E CA -0.447 55.784 56.400 -0.282 0.000 0.857 422 E CB 0.533 30.106 29.700 -0.211 0.000 1.040 422 E HN 0.541 nan 8.360 nan 0.000 0.408 423 Y N 5.609 125.788 120.300 -0.202 0.000 2.787 423 Y HA 0.254 4.805 4.550 0.002 0.000 0.352 423 Y C -1.787 173.894 175.900 -0.366 0.000 1.027 423 Y CA -1.922 56.030 58.100 -0.246 0.000 1.219 423 Y CB 1.498 39.844 38.460 -0.189 0.000 1.110 423 Y HN 0.592 nan 8.280 nan 0.000 0.614 424 P HA -0.012 nan 4.420 nan 0.000 0.241 424 P C 0.489 177.275 177.300 -0.856 0.000 1.191 424 P CA 1.013 63.673 63.100 -0.733 0.000 0.771 424 P CB 0.529 31.340 31.700 -1.483 0.000 0.929 425 L N -1.867 118.921 121.223 -0.725 0.000 2.959 425 L HA 0.430 4.770 4.340 -0.000 0.000 0.259 425 L C 1.112 177.685 176.870 -0.496 0.000 1.185 425 L CA -0.130 54.093 54.840 -1.029 0.000 0.998 425 L CB -0.283 41.464 42.059 -0.520 0.000 1.337 425 L HN 0.025 nan 8.230 nan 0.000 0.555 426 G N 1.325 109.928 108.800 -0.329 0.000 2.750 426 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.228 426 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.228 426 G C -0.495 174.299 174.900 -0.176 0.000 1.367 426 G CA -0.503 44.468 45.100 -0.217 0.000 0.871 426 G HN 0.280 nan 8.290 nan 0.000 0.560 427 R N -1.025 119.343 120.500 -0.220 0.000 2.561 427 R HA 0.633 4.973 4.340 -0.000 0.000 0.297 427 R C 0.490 176.717 176.300 -0.122 0.000 0.969 427 R CA -0.818 55.156 56.100 -0.210 0.000 0.879 427 R CB 1.064 31.155 30.300 -0.349 0.000 1.178 427 R HN 0.573 nan 8.270 nan 0.000 0.445 428 I N 4.232 124.773 120.570 -0.047 0.000 2.692 428 I HA 0.034 4.203 4.170 -0.000 0.000 0.284 428 I C -0.500 175.656 176.117 0.065 0.000 1.159 428 I CA 0.130 61.452 61.300 0.036 0.000 1.423 428 I CB 0.488 38.548 38.000 0.099 0.000 1.380 428 I HN 0.284 nan 8.210 nan 0.000 0.580 429 L N 7.823 129.107 121.223 0.101 0.000 2.381 429 L HA 0.542 4.882 4.340 -0.000 0.000 0.274 429 L C -0.624 176.357 176.870 0.186 0.000 0.988 429 L CA -0.402 54.483 54.840 0.075 0.000 0.824 429 L CB 1.234 43.333 42.059 0.067 0.000 1.263 429 L HN 0.413 nan 8.230 nan 0.000 0.410 430 F N 0.027 120.012 119.950 0.059 0.000 2.613 430 F HA 0.908 5.435 4.527 -0.001 0.000 0.310 430 F C 0.237 176.102 175.800 0.108 0.000 1.085 430 F CA -1.171 56.867 58.000 0.064 0.000 0.945 430 F CB 1.464 40.497 39.000 0.055 0.000 1.298 430 F HN 0.507 nan 8.300 nan 0.000 0.455 431 G N 1.298 110.256 108.800 0.263 0.000 2.395 431 G HA2 0.473 4.433 3.960 -0.000 0.000 0.283 431 G HA3 0.473 4.433 3.960 -0.000 0.000 0.283 431 G C -1.598 173.451 174.900 0.249 0.000 1.178 431 G CA -0.207 45.018 45.100 0.209 0.000 0.837 431 G HN 0.846 nan 8.290 nan 0.000 0.518 432 D N -0.853 119.676 120.400 0.215 0.000 2.781 432 D HA 0.515 5.155 4.640 -0.000 0.000 0.295 432 D C 0.283 176.758 176.300 0.293 0.000 1.143 432 D CA -0.300 53.834 54.000 0.223 0.000 1.076 432 D CB 2.103 43.005 40.800 0.169 0.000 1.444 432 D HN 0.462 nan 8.370 nan 0.000 0.567 433 S N -0.988 114.840 115.700 0.214 0.000 2.693 433 S HA 0.267 4.737 4.470 -0.000 0.000 0.276 433 S C 1.236 175.848 174.600 0.021 0.000 1.192 433 S CA -0.576 57.744 58.200 0.200 0.000 0.994 433 S CB 1.157 64.370 63.200 0.023 0.000 1.012 433 S HN 0.613 nan 8.310 nan 0.000 0.550 434 C N -0.083 119.033 119.300 -0.307 0.000 2.464 434 C HA 0.260 4.720 4.460 -0.000 0.000 0.278 434 C C 0.440 175.418 174.990 -0.019 0.000 1.375 434 C CA -0.033 58.799 59.018 -0.309 0.000 1.761 434 C CB -1.757 25.573 27.740 -0.683 0.000 1.944 434 C HN 0.863 nan 8.230 nan 0.000 0.509 435 Y N -1.267 118.965 120.300 -0.113 0.000 2.581 435 Y HA 0.633 5.183 4.550 -0.001 0.000 0.337 435 Y C -3.185 172.703 175.900 -0.020 0.000 1.108 435 Y CA -3.091 54.977 58.100 -0.054 0.000 1.033 435 Y CB -0.028 38.390 38.460 -0.069 0.000 1.318 435 Y HN -0.224 nan 8.280 nan 0.000 0.459 436 P HA 0.286 nan 4.420 nan 0.000 0.282 436 P C -0.763 176.554 177.300 0.028 0.000 1.274 436 P CA 0.069 63.177 63.100 0.012 0.000 0.770 436 P CB 1.488 33.227 31.700 0.064 0.000 0.867 437 S N 2.245 117.885 115.700 -0.099 0.000 2.740 437 S HA 0.367 4.837 4.470 -0.000 0.000 0.300 437 S C 1.009 175.587 174.600 -0.036 0.000 1.147 437 S CA -0.764 57.416 58.200 -0.034 0.000 0.871 437 S CB 0.726 63.861 63.200 -0.109 0.000 1.173 437 S HN 0.176 nan 8.310 nan 0.000 0.510 438 N N 1.269 119.960 118.700 -0.015 0.000 2.272 438 N HA -0.055 4.685 4.740 -0.000 0.000 0.185 438 N C 0.266 175.743 175.510 -0.055 0.000 1.014 438 N CA 1.329 54.363 53.050 -0.026 0.000 0.870 438 N CB -0.392 38.088 38.487 -0.012 0.000 0.975 438 N HN 0.618 nan 8.380 nan 0.000 0.433 439 D N -0.448 119.908 120.400 -0.073 0.000 2.398 439 D HA 0.046 4.686 4.640 -0.000 0.000 0.210 439 D C 0.183 176.414 176.300 -0.115 0.000 1.094 439 D CA 0.073 54.008 54.000 -0.108 0.000 0.839 439 D CB 0.313 41.052 40.800 -0.103 0.000 0.963 439 D HN 0.176 nan 8.370 nan 0.000 0.506 440 S N 0.156 115.793 115.700 -0.105 0.000 2.616 440 S HA 0.568 5.037 4.470 -0.000 0.000 0.277 440 S C 0.314 174.878 174.600 -0.059 0.000 1.234 440 S CA -0.780 57.366 58.200 -0.091 0.000 1.028 440 S CB 2.190 65.313 63.200 -0.129 0.000 0.988 440 S HN -0.054 nan 8.310 nan 0.000 0.522 441 R N 0.834 121.316 120.500 -0.030 0.000 2.787 441 R HA 0.573 4.913 4.340 -0.000 0.000 0.271 441 R C -0.613 175.708 176.300 0.036 0.000 0.993 441 R CA -0.830 55.266 56.100 -0.007 0.000 0.993 441 R CB 1.609 31.901 30.300 -0.013 0.000 1.155 441 R HN 0.912 nan 8.270 nan 0.000 0.486 442 Q N 0.935 120.763 119.800 0.046 0.000 2.501 442 Q HA 0.408 4.747 4.340 -0.000 0.000 0.288 442 Q C -0.916 175.138 176.000 0.090 0.000 1.051 442 Q CA -1.005 54.855 55.803 0.095 0.000 0.788 442 Q CB 2.000 30.787 28.738 0.082 0.000 1.469 442 Q HN 0.517 nan 8.270 nan 0.000 0.416 443 M N 2.263 121.942 119.600 0.132 0.000 2.245 443 M HA 0.133 4.613 4.480 -0.000 0.000 0.344 443 M C -0.259 176.079 176.300 0.064 0.000 1.170 443 M CA -0.274 55.075 55.300 0.082 0.000 1.135 443 M CB 0.698 33.304 32.600 0.009 0.000 1.574 443 M HN 0.836 nan 8.290 nan 0.000 0.452 444 H N 3.146 122.211 119.070 -0.008 0.000 2.972 444 H HA -0.072 4.484 4.556 -0.000 0.000 0.343 444 H C 0.352 175.680 175.328 0.001 0.000 1.054 444 H CA 0.814 56.860 56.048 -0.004 0.000 1.412 444 H CB 1.105 30.856 29.762 -0.018 0.000 1.385 444 H HN 0.875 nan 8.280 nan 0.000 0.600 445 Q N 4.098 123.790 119.800 -0.180 0.000 2.170 445 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 445 Q C 2.065 178.159 176.000 0.156 0.000 0.976 445 Q CA 1.895 57.693 55.803 -0.008 0.000 0.858 445 Q CB -0.324 28.368 28.738 -0.077 0.000 0.907 445 Q HN 0.765 nan 8.270 nan 0.000 0.433 446 A N -0.009 123.050 122.820 0.399 0.000 1.933 446 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 446 A C 1.971 179.672 177.584 0.197 0.000 1.175 446 A CA 1.409 53.604 52.037 0.263 0.000 0.628 446 A CB -0.653 18.461 19.000 0.189 0.000 0.814 446 A HN 0.442 nan 8.150 nan 0.000 0.444 447 L N -1.098 120.242 121.223 0.195 0.000 2.027 447 L HA -0.215 4.124 4.340 -0.000 0.000 0.206 447 L C 2.851 179.785 176.870 0.106 0.000 1.074 447 L CA 1.560 56.514 54.840 0.189 0.000 0.745 447 L CB -1.090 41.050 42.059 0.135 0.000 0.898 447 L HN 0.504 nan 8.230 nan 0.000 0.433 448 Q N 0.203 119.994 119.800 -0.015 0.000 2.061 448 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 448 Q C 1.864 177.877 176.000 0.022 0.000 0.984 448 Q CA 1.748 57.483 55.803 -0.113 0.000 0.846 448 Q CB -0.132 28.574 28.738 -0.053 0.000 0.902 448 Q HN 0.475 nan 8.270 nan 0.000 0.421 449 D N 0.101 120.549 120.400 0.079 0.000 2.144 449 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 449 D C 1.496 177.846 176.300 0.083 0.000 0.984 449 D CA 0.734 54.784 54.000 0.084 0.000 0.834 449 D CB -0.296 40.564 40.800 0.101 0.000 0.955 449 D HN 0.159 nan 8.370 nan 0.000 0.465 450 F N 1.258 121.188 119.950 -0.034 0.000 2.102 450 F HA -0.126 4.402 4.527 0.001 0.000 0.298 450 F C 1.973 177.707 175.800 -0.109 0.000 1.105 450 F CA 1.149 59.092 58.000 -0.095 0.000 1.239 450 F CB -0.280 38.610 39.000 -0.182 0.000 0.991 450 F HN -0.119 nan 8.300 nan 0.000 0.474 451 L N -0.440 120.730 121.223 -0.090 0.000 2.012 451 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 451 L C 2.580 179.363 176.870 -0.144 0.000 1.073 451 L CA 1.608 56.360 54.840 -0.147 0.000 0.748 451 L CB -1.111 40.955 42.059 0.011 0.000 0.891 451 L HN 0.081 nan 8.230 nan 0.000 0.431 452 S N -0.370 115.293 115.700 -0.061 0.000 2.402 452 S HA -0.084 4.386 4.470 -0.000 0.000 0.229 452 S C 2.123 176.670 174.600 -0.089 0.000 1.021 452 S CA 1.017 59.197 58.200 -0.034 0.000 0.974 452 S CB -0.195 63.020 63.200 0.025 0.000 0.800 452 S HN 0.480 nan 8.310 nan 0.000 0.484 453 A N 1.040 123.774 122.820 -0.143 0.000 2.067 453 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 453 A C 1.050 178.503 177.584 -0.218 0.000 1.158 453 A CA 0.718 52.662 52.037 -0.155 0.000 0.661 453 A CB -0.126 18.796 19.000 -0.130 0.000 0.801 453 A HN 0.365 nan 8.150 nan 0.000 0.452 454 Q N 0.829 120.433 119.800 -0.327 0.000 3.026 454 Q HA 0.116 4.456 4.340 -0.000 0.000 0.258 454 Q C 0.384 176.284 176.000 -0.167 0.000 1.388 454 Q CA 0.096 55.728 55.803 -0.285 0.000 1.000 454 Q CB -0.167 28.353 28.738 -0.364 0.000 1.634 454 Q HN 0.713 nan 8.270 nan 0.000 0.571 455 Q N 0.111 119.847 119.800 -0.107 0.000 2.217 455 Q HA -0.155 4.184 4.340 -0.000 0.000 0.209 455 Q C 1.621 177.579 176.000 -0.070 0.000 0.988 455 Q CA 1.295 57.050 55.803 -0.080 0.000 0.878 455 Q CB -0.188 28.498 28.738 -0.087 0.000 0.909 455 Q HN 0.319 nan 8.270 nan 0.000 0.424 456 V N 0.898 120.782 119.914 -0.050 0.000 2.439 456 V HA -0.281 3.838 4.120 -0.000 0.000 0.253 456 V C 1.221 177.306 176.094 -0.015 0.000 1.074 456 V CA 1.923 64.218 62.300 -0.008 0.000 1.076 456 V CB -0.269 31.604 31.823 0.084 0.000 0.664 456 V HN 0.458 nan 8.190 nan 0.000 0.461 457 Q N -1.133 118.646 119.800 -0.035 0.000 2.158 457 Q HA 0.524 4.864 4.340 -0.000 0.000 0.306 457 Q C 0.484 176.473 176.000 -0.018 0.000 0.878 457 Q CA 0.149 55.934 55.803 -0.030 0.000 1.136 457 Q CB 0.907 29.604 28.738 -0.068 0.000 1.253 457 Q HN 0.488 nan 8.270 nan 0.000 0.441 458 A N 2.554 125.386 122.820 0.021 0.000 1.624 458 A HA -0.143 4.176 4.320 -0.000 0.000 0.310 458 A C -2.180 175.394 177.584 -0.017 0.000 1.077 458 A CA -0.378 51.673 52.037 0.024 0.000 1.314 458 A CB -1.023 18.050 19.000 0.121 0.000 0.857 458 A HN 0.190 nan 8.150 nan 0.000 0.237 459 P HA 0.177 nan 4.420 nan 0.000 0.266 459 P C -0.331 176.977 177.300 0.013 0.000 1.186 459 P CA 0.154 63.313 63.100 0.098 0.000 0.767 459 P CB 0.605 32.484 31.700 0.297 0.000 0.820 460 V N 4.129 124.007 119.914 -0.061 0.000 2.444 460 V HA 0.220 4.340 4.120 -0.000 0.000 0.294 460 V C 0.314 176.202 176.094 -0.342 0.000 1.022 460 V CA -0.674 61.538 62.300 -0.147 0.000 0.850 460 V CB 1.479 33.228 31.823 -0.123 0.000 0.992 460 V HN 0.406 nan 8.190 nan 0.000 0.426 461 K N 5.329 125.471 120.400 -0.429 0.000 2.379 461 K HA 0.506 4.826 4.320 -0.000 0.000 0.284 461 K C -0.651 175.831 176.600 -0.197 0.000 1.044 461 K CA -0.053 55.886 56.287 -0.580 0.000 0.974 461 K CB 0.711 32.996 32.500 -0.358 0.000 0.962 461 K HN 0.492 nan 8.250 nan 0.000 0.474 462 L N 2.126 123.284 121.223 -0.110 0.000 2.347 462 L HA 0.406 4.745 4.340 -0.000 0.000 0.268 462 L C -0.264 176.788 176.870 0.303 0.000 1.019 462 L CA -1.181 53.754 54.840 0.159 0.000 0.806 462 L CB 0.631 42.849 42.059 0.265 0.000 1.339 462 L HN 0.566 nan 8.230 nan 0.000 0.463 463 Y N 0.324 120.792 120.300 0.280 0.000 2.593 463 Y HA 0.151 4.701 4.550 -0.001 0.000 0.331 463 Y C 0.730 176.859 175.900 0.382 0.000 0.986 463 Y CA -0.545 57.724 58.100 0.281 0.000 1.262 463 Y CB 1.004 39.623 38.460 0.264 0.000 1.098 463 Y HN 0.646 nan 8.280 nan 0.000 0.506 464 S N 0.710 116.530 115.700 0.200 0.000 2.523 464 S HA -0.024 4.445 4.470 -0.000 0.000 0.217 464 S C 0.950 175.274 174.600 -0.460 0.000 0.996 464 S CA 0.148 58.285 58.200 -0.105 0.000 0.921 464 S CB 0.136 63.397 63.200 0.101 0.000 0.829 464 S HN 0.753 nan 8.310 nan 0.000 0.495 465 D N 2.162 122.452 120.400 -0.183 0.000 2.348 465 D HA -0.047 4.593 4.640 -0.000 0.000 0.216 465 D C 1.637 177.856 176.300 -0.137 0.000 0.970 465 D CA 0.877 54.826 54.000 -0.085 0.000 0.889 465 D CB -0.254 40.626 40.800 0.133 0.000 0.912 465 D HN 0.741 nan 8.370 nan 0.000 0.524 466 W N 0.366 121.449 121.300 -0.361 0.000 2.525 466 W HA 0.048 4.707 4.660 -0.001 0.000 0.259 466 W C -0.143 176.286 176.519 -0.150 0.000 1.253 466 W CA -0.177 57.017 57.345 -0.251 0.000 1.262 466 W CB -1.074 28.084 29.460 -0.503 0.000 1.122 466 W HN -0.106 nan 8.180 nan 0.000 0.607 467 L N 1.736 122.465 121.223 -0.824 0.000 2.395 467 L HA 0.081 4.421 4.340 -0.000 0.000 0.269 467 L C 2.129 178.819 176.870 -0.301 0.000 1.133 467 L CA -0.050 54.400 54.840 -0.650 0.000 0.812 467 L CB 1.356 42.895 42.059 -0.867 0.000 1.125 467 L HN -0.175 nan 8.230 nan 0.000 0.452 468 S N 1.548 117.138 115.700 -0.183 0.000 2.343 468 S HA -0.135 4.335 4.470 -0.000 0.000 0.219 468 S C 1.646 176.116 174.600 -0.217 0.000 1.033 468 S CA 1.680 59.799 58.200 -0.135 0.000 1.014 468 S CB 0.035 63.181 63.200 -0.091 0.000 0.915 468 S HN 0.438 nan 8.310 nan 0.000 0.435 469 V N 0.667 120.404 119.914 -0.295 0.000 2.270 469 V HA 0.154 4.274 4.120 -0.000 0.000 0.245 469 V C 1.946 177.784 176.094 -0.426 0.000 1.043 469 V CA 1.386 63.420 62.300 -0.443 0.000 1.014 469 V CB -1.443 30.027 31.823 -0.588 0.000 0.645 469 V HN 0.865 nan 8.190 nan 0.000 0.447 470 G N -0.570 108.010 108.800 -0.367 0.000 2.173 470 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.174 470 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.174 470 G C -0.158 174.786 174.900 0.074 0.000 1.025 470 G CA -0.197 44.793 45.100 -0.183 0.000 0.706 470 G HN 0.642 nan 8.290 nan 0.000 0.499 471 H N -0.820 118.171 119.070 -0.131 0.000 2.469 471 H HA 0.415 4.971 4.556 -0.000 0.000 0.342 471 H C 1.669 176.948 175.328 -0.082 0.000 1.115 471 H CA -0.707 55.306 56.048 -0.059 0.000 1.204 471 H CB 2.262 31.999 29.762 -0.042 0.000 1.492 471 H HN 0.297 nan 8.280 nan 0.000 0.499 472 V N -0.163 119.760 119.914 0.016 0.000 2.568 472 V HA -0.259 3.861 4.120 -0.000 0.000 0.253 472 V C 1.741 177.554 176.094 -0.468 0.000 1.072 472 V CA 2.061 64.158 62.300 -0.338 0.000 1.084 472 V CB -0.354 31.323 31.823 -0.245 0.000 0.676 472 V HN 0.867 nan 8.190 nan 0.000 0.469 473 D N 0.601 120.917 120.400 -0.141 0.000 2.378 473 D HA -0.181 4.458 4.640 -0.000 0.000 0.222 473 D C 1.704 177.973 176.300 -0.052 0.000 0.980 473 D CA 1.277 55.210 54.000 -0.112 0.000 0.907 473 D CB -0.417 40.425 40.800 0.069 0.000 0.899 473 D HN 0.692 nan 8.370 nan 0.000 0.527 474 E N -0.942 119.253 120.200 -0.008 0.000 2.371 474 E HA 0.008 4.358 4.350 -0.000 0.000 0.194 474 E C 0.793 177.545 176.600 0.253 0.000 1.012 474 E CA 0.462 56.928 56.400 0.109 0.000 0.860 474 E CB -0.127 29.620 29.700 0.080 0.000 0.811 474 E HN 0.602 nan 8.360 nan 0.000 0.502 475 F N -0.840 119.180 119.950 0.116 0.000 2.831 475 F HA 0.288 4.815 4.527 -0.001 0.000 0.334 475 F C -0.102 175.749 175.800 0.085 0.000 1.071 475 F CA -1.009 57.094 58.000 0.172 0.000 1.172 475 F CB 0.312 39.455 39.000 0.239 0.000 1.054 475 F HN -0.204 nan 8.300 nan 0.000 0.572 476 L N -0.561 120.455 121.223 -0.345 0.000 2.376 476 L HA 0.939 5.279 4.340 -0.000 0.000 0.258 476 L C -0.479 176.221 176.870 -0.282 0.000 1.013 476 L CA -1.060 53.606 54.840 -0.290 0.000 0.822 476 L CB 1.691 43.503 42.059 -0.411 0.000 1.388 476 L HN -0.007 nan 8.230 nan 0.000 0.413 477 S N 0.407 115.932 115.700 -0.292 0.000 2.625 477 S HA 0.855 5.325 4.470 -0.000 0.000 0.271 477 S C -1.792 172.604 174.600 -0.339 0.000 1.161 477 S CA -0.451 57.608 58.200 -0.236 0.000 0.820 477 S CB 0.886 64.001 63.200 -0.143 0.000 1.137 477 S HN 0.520 nan 8.310 nan 0.000 0.470 478 F N 1.301 121.228 119.950 -0.039 0.000 2.546 478 F HA 0.718 5.245 4.527 -0.000 0.000 0.320 478 F C 0.015 175.834 175.800 0.032 0.000 1.076 478 F CA -0.583 57.421 58.000 0.006 0.000 0.928 478 F CB 2.264 41.225 39.000 -0.065 0.000 1.189 478 F HN 0.509 nan 8.300 nan 0.000 0.465 479 V N 0.232 120.307 119.914 0.269 0.000 2.962 479 V HA 0.748 4.868 4.120 -0.000 0.000 0.313 479 V C -2.915 173.308 176.094 0.215 0.000 1.099 479 V CA -2.911 59.497 62.300 0.180 0.000 0.971 479 V CB 1.855 33.740 31.823 0.104 0.000 1.028 479 V HN 0.444 nan 8.190 nan 0.000 0.430 480 P HA 0.588 nan 4.420 nan 0.000 0.272 480 P C -0.618 176.746 177.300 0.106 0.000 1.230 480 P CA 0.085 63.270 63.100 0.141 0.000 0.788 480 P CB 1.132 32.882 31.700 0.082 0.000 0.949 481 A N 2.351 125.226 122.820 0.091 0.000 2.572 481 A HA 0.625 4.945 4.320 -0.000 0.000 0.295 481 A C -2.245 175.351 177.584 0.020 0.000 1.072 481 A CA -1.141 50.919 52.037 0.039 0.000 0.691 481 A CB 1.132 20.140 19.000 0.014 0.000 1.291 481 A HN 0.320 nan 8.150 nan 0.000 0.404 482 P HA 0.097 nan 4.420 nan 0.000 0.235 482 P C -0.290 177.005 177.300 -0.009 0.000 1.177 482 P CA 0.967 64.067 63.100 0.001 0.000 0.785 482 P CB 0.016 31.714 31.700 -0.003 0.000 0.885 483 D N -1.197 119.189 120.400 -0.024 0.000 2.525 483 D HA 0.249 4.889 4.640 -0.000 0.000 0.249 483 D C -0.199 176.060 176.300 -0.069 0.000 1.072 483 D CA -1.422 52.556 54.000 -0.036 0.000 1.067 483 D CB 0.323 41.103 40.800 -0.034 0.000 1.282 483 D HN -0.165 nan 8.370 nan 0.000 0.587 484 R N 0.485 120.940 120.500 -0.074 0.000 2.039 484 R HA -0.311 4.029 4.340 -0.000 0.000 0.308 484 R C -0.184 175.995 176.300 -0.201 0.000 1.157 484 R CA 1.268 57.299 56.100 -0.115 0.000 1.130 484 R CB -1.108 29.120 30.300 -0.120 0.000 3.108 484 R HN 0.732 nan 8.270 nan 0.000 0.505 485 K N 0.991 121.300 120.400 -0.151 0.000 3.553 485 K HA -0.290 4.030 4.320 -0.000 0.000 0.280 485 K C 1.004 177.558 176.600 -0.076 0.000 1.061 485 K CA 1.826 58.016 56.287 -0.162 0.000 1.101 485 K CB -1.535 30.728 32.500 -0.396 0.000 1.421 485 K HN 1.389 nan 8.250 nan 0.000 0.440 486 G N 0.754 109.492 108.800 -0.104 0.000 2.131 486 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.223 486 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.223 486 G C -0.052 174.953 174.900 0.176 0.000 0.990 486 G CA 0.422 45.553 45.100 0.052 0.000 0.671 486 G HN 0.657 nan 8.290 nan 0.000 0.521 487 F N -2.291 117.696 119.950 0.063 0.000 2.779 487 F HA 0.903 5.429 4.527 -0.001 0.000 0.316 487 F C -0.739 175.128 175.800 0.111 0.000 1.164 487 F CA -2.027 56.033 58.000 0.101 0.000 0.924 487 F CB 0.785 39.870 39.000 0.141 0.000 1.348 487 F HN 0.047 nan 8.300 nan 0.000 0.467 488 R N 1.797 122.526 120.500 0.381 0.000 2.686 488 R HA 0.472 4.812 4.340 -0.000 0.000 0.286 488 R C -1.435 175.117 176.300 0.419 0.000 0.969 488 R CA -0.913 55.357 56.100 0.283 0.000 0.898 488 R CB 2.518 32.886 30.300 0.113 0.000 1.183 488 R HN 0.930 nan 8.270 nan 0.000 0.456 489 L N 4.420 125.821 121.223 0.297 0.000 2.319 489 L HA 0.360 4.699 4.340 -0.000 0.000 0.280 489 L C -0.713 176.097 176.870 -0.100 0.000 1.099 489 L CA -0.343 54.419 54.840 -0.129 0.000 0.828 489 L CB 0.482 42.483 42.059 -0.098 0.000 1.150 489 L HN 0.437 nan 8.230 nan 0.000 0.442 490 L N 6.566 127.685 121.223 -0.174 0.000 2.282 490 L HA 0.471 4.811 4.340 -0.000 0.000 0.288 490 L C -0.543 176.289 176.870 -0.062 0.000 1.033 490 L CA -0.519 54.279 54.840 -0.070 0.000 0.807 490 L CB 1.614 43.650 42.059 -0.038 0.000 1.209 490 L HN 0.550 nan 8.230 nan 0.000 0.423 491 L N 2.841 124.077 121.223 0.021 0.000 2.365 491 L HA 0.608 4.948 4.340 -0.000 0.000 0.273 491 L C 0.403 177.359 176.870 0.143 0.000 1.000 491 L CA -0.670 54.231 54.840 0.101 0.000 0.819 491 L CB 1.989 44.118 42.059 0.115 0.000 1.284 491 L HN 0.694 nan 8.230 nan 0.000 0.418 492 A N 1.966 124.923 122.820 0.228 0.000 2.565 492 A HA 0.320 4.640 4.320 -0.000 0.000 0.237 492 A C 0.291 178.022 177.584 0.244 0.000 1.053 492 A CA 0.356 52.564 52.037 0.286 0.000 0.755 492 A CB 0.271 19.575 19.000 0.505 0.000 0.980 492 A HN 0.590 nan 8.150 nan 0.000 0.506 493 S N 3.474 119.301 115.700 0.211 0.000 2.673 493 S HA 0.560 5.030 4.470 -0.000 0.000 0.256 493 S C -2.281 172.408 174.600 0.148 0.000 1.141 493 S CA -1.045 57.242 58.200 0.146 0.000 1.109 493 S CB 1.242 64.499 63.200 0.095 0.000 1.101 493 S HN 0.377 nan 8.310 nan 0.000 0.471 494 P HA -0.075 nan 4.420 nan 0.000 0.217 494 P C 1.630 179.064 177.300 0.225 0.000 1.150 494 P CA 0.526 63.751 63.100 0.209 0.000 0.832 494 P CB 0.082 31.935 31.700 0.255 0.000 0.787 495 R N -0.100 120.485 120.500 0.141 0.000 2.113 495 R HA -0.180 4.160 4.340 -0.000 0.000 0.244 495 R C 2.345 178.705 176.300 0.099 0.000 1.142 495 R CA 2.266 58.431 56.100 0.107 0.000 0.953 495 R CB -0.998 29.330 30.300 0.047 0.000 0.860 495 R HN 0.108 nan 8.270 nan 0.000 0.438 496 S N -0.556 115.184 115.700 0.067 0.000 2.382 496 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 496 S C 2.171 176.761 174.600 -0.017 0.000 1.027 496 S CA 1.385 59.607 58.200 0.035 0.000 0.991 496 S CB -0.514 62.710 63.200 0.040 0.000 0.823 496 S HN 0.632 nan 8.310 nan 0.000 0.469 497 C N 0.252 119.510 119.300 -0.070 0.000 2.475 497 C HA 0.134 4.594 4.460 -0.000 0.000 0.279 497 C C 2.198 176.904 174.990 -0.475 0.000 1.322 497 C CA 0.480 59.300 59.018 -0.331 0.000 1.734 497 C CB -1.730 25.799 27.740 -0.353 0.000 2.005 497 C HN 0.750 nan 8.230 nan 0.000 0.495 498 Y N 1.313 121.494 120.300 -0.198 0.000 2.181 498 Y HA -0.180 4.369 4.550 -0.000 0.000 0.288 498 Y C 2.555 178.445 175.900 -0.017 0.000 1.146 498 Y CA 2.347 60.394 58.100 -0.088 0.000 1.164 498 Y CB -0.332 38.109 38.460 -0.031 0.000 0.982 498 Y HN 0.357 nan 8.280 nan 0.000 0.515 499 K N 0.521 120.994 120.400 0.122 0.000 2.032 499 K HA -0.205 4.114 4.320 -0.000 0.000 0.209 499 K C 2.106 178.756 176.600 0.084 0.000 1.048 499 K CA 1.406 57.748 56.287 0.092 0.000 0.927 499 K CB -0.486 32.051 32.500 0.062 0.000 0.712 499 K HN 0.321 nan 8.250 nan 0.000 0.441 500 L N 0.210 121.458 121.223 0.042 0.000 1.989 500 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 500 L C 2.230 179.243 176.870 0.238 0.000 1.071 500 L CA 1.535 56.427 54.840 0.088 0.000 0.749 500 L CB -0.319 41.759 42.059 0.031 0.000 0.890 500 L HN 0.254 nan 8.230 nan 0.000 0.431 501 F N 0.045 119.987 119.950 -0.014 0.000 2.234 501 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 501 F C 2.693 178.504 175.800 0.019 0.000 1.087 501 F CA 1.111 59.097 58.000 -0.023 0.000 1.340 501 F CB -1.078 37.883 39.000 -0.065 0.000 1.031 501 F HN 0.230 nan 8.300 nan 0.000 0.500 502 Q N 0.810 120.755 119.800 0.241 0.000 2.079 502 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 502 Q C 1.971 178.043 176.000 0.120 0.000 0.974 502 Q CA 1.846 57.747 55.803 0.164 0.000 0.840 502 Q CB -0.300 28.527 28.738 0.148 0.000 0.898 502 Q HN 0.454 nan 8.270 nan 0.000 0.430 503 E N -0.541 119.726 120.200 0.112 0.000 2.077 503 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 503 E C 2.082 178.736 176.600 0.090 0.000 0.989 503 E CA 1.198 57.650 56.400 0.086 0.000 0.800 503 E CB -0.050 29.693 29.700 0.072 0.000 0.746 503 E HN 0.276 nan 8.360 nan 0.000 0.452 504 Q N 0.711 120.569 119.800 0.097 0.000 2.061 504 Q HA -0.224 4.115 4.340 -0.000 0.000 0.204 504 Q C 2.005 178.082 176.000 0.127 0.000 0.984 504 Q CA 1.783 57.640 55.803 0.090 0.000 0.846 504 Q CB -0.154 28.596 28.738 0.021 0.000 0.902 504 Q HN 0.278 nan 8.270 nan 0.000 0.421 505 Q N -0.358 119.497 119.800 0.090 0.000 2.050 505 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 505 Q C 1.412 177.447 176.000 0.058 0.000 0.980 505 Q CA 1.622 57.466 55.803 0.068 0.000 0.840 505 Q CB -0.090 28.685 28.738 0.063 0.000 0.898 505 Q HN 0.360 nan 8.270 nan 0.000 0.424 506 N N 0.589 119.328 118.700 0.065 0.000 2.272 506 N HA -0.147 4.592 4.740 -0.000 0.000 0.185 506 N C 0.910 176.446 175.510 0.045 0.000 1.014 506 N CA 1.112 54.192 53.050 0.050 0.000 0.870 506 N CB -0.061 38.457 38.487 0.052 0.000 0.975 506 N HN 0.341 nan 8.380 nan 0.000 0.433 507 E N -0.628 119.616 120.200 0.074 0.000 2.465 507 E HA 0.161 4.511 4.350 -0.000 0.000 0.191 507 E C 0.640 177.248 176.600 0.014 0.000 1.053 507 E CA 0.038 56.487 56.400 0.082 0.000 0.869 507 E CB 0.163 29.955 29.700 0.154 0.000 0.977 507 E HN 0.402 nan 8.360 nan 0.000 0.483 508 G N 1.311 110.093 108.800 -0.030 0.000 2.138 508 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.193 508 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.193 508 G C 0.291 175.032 174.900 -0.264 0.000 0.998 508 G CA -0.033 44.975 45.100 -0.154 0.000 0.668 508 G HN 0.388 nan 8.290 nan 0.000 0.516 509 H N -0.270 118.782 119.070 -0.031 0.000 2.487 509 H HA 0.390 4.946 4.556 -0.000 0.000 0.290 509 H C 2.246 177.532 175.328 -0.069 0.000 1.081 509 H CA 0.584 56.601 56.048 -0.052 0.000 1.116 509 H CB 0.538 30.262 29.762 -0.063 0.000 1.560 509 H HN 0.329 nan 8.280 nan 0.000 0.548 510 G N 0.525 109.335 108.800 0.016 0.000 2.499 510 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.221 510 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.221 510 G C 1.547 176.432 174.900 -0.025 0.000 1.109 510 G CA 0.783 45.879 45.100 -0.007 0.000 0.749 510 G HN 0.309 nan 8.290 nan 0.000 0.568 511 E N 0.081 120.269 120.200 -0.020 0.000 2.442 511 E HA 0.392 4.742 4.350 -0.000 0.000 0.195 511 E C 1.593 178.172 176.600 -0.034 0.000 1.030 511 E CA 0.145 56.531 56.400 -0.023 0.000 0.869 511 E CB -0.003 29.686 29.700 -0.019 0.000 0.857 511 E HN 0.379 nan 8.360 nan 0.000 0.505 512 A N 0.485 123.281 122.820 -0.041 0.000 2.498 512 A HA 0.234 4.554 4.320 -0.000 0.000 0.239 512 A C -0.338 177.164 177.584 -0.136 0.000 1.068 512 A CA 0.029 52.022 52.037 -0.074 0.000 0.766 512 A CB 0.108 19.056 19.000 -0.086 0.000 1.003 512 A HN 0.255 nan 8.150 nan 0.000 0.497 513 L N 3.016 124.167 121.223 -0.121 0.000 2.272 513 L HA 0.318 4.658 4.340 -0.000 0.000 0.289 513 L C 0.141 176.904 176.870 -0.180 0.000 1.032 513 L CA -0.381 54.393 54.840 -0.110 0.000 0.810 513 L CB 1.144 43.177 42.059 -0.043 0.000 1.205 513 L HN 0.661 nan 8.230 nan 0.000 0.422 514 L N 5.181 126.252 121.223 -0.253 0.000 2.410 514 L HA 0.127 4.467 4.340 -0.000 0.000 0.273 514 L C -0.214 176.430 176.870 -0.376 0.000 1.152 514 L CA 0.287 54.850 54.840 -0.462 0.000 0.855 514 L CB 0.198 41.909 42.059 -0.580 0.000 1.129 514 L HN 0.749 nan 8.230 nan 0.000 0.463 515 F N 1.283 121.212 119.950 -0.035 0.000 2.681 515 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 515 F C 0.804 176.533 175.800 -0.117 0.000 0.676 515 F CA 0.067 58.008 58.000 -0.098 0.000 1.496 515 F CB -1.993 36.933 39.000 -0.124 0.000 1.827 515 F HN 0.520 nan 8.300 nan 0.000 0.328 516 E N 1.147 121.371 120.200 0.040 0.000 2.452 516 E HA 0.349 4.699 4.350 -0.000 0.000 0.261 516 E C 1.436 178.072 176.600 0.060 0.000 0.987 516 E CA 1.509 57.925 56.400 0.025 0.000 0.926 516 E CB 0.500 30.201 29.700 0.001 0.000 0.934 516 E HN 0.666 nan 8.360 nan 0.000 0.452 517 G N 3.450 112.255 108.800 0.009 0.000 2.176 517 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.232 517 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.232 517 G C 0.196 174.970 174.900 -0.209 0.000 0.986 517 G CA -0.100 45.005 45.100 0.007 0.000 0.643 517 G HN 0.401 nan 8.290 nan 0.000 0.522 518 I N 2.107 122.491 120.570 -0.310 0.000 2.312 518 I HA 0.255 4.424 4.170 -0.000 0.000 0.290 518 I C 1.693 177.722 176.117 -0.147 0.000 1.008 518 I CA -0.698 60.356 61.300 -0.411 0.000 1.226 518 I CB 0.922 38.494 38.000 -0.715 0.000 1.371 518 I HN 0.144 nan 8.210 nan 0.000 0.468 519 K N 5.270 125.640 120.400 -0.051 0.000 2.007 519 K HA -0.222 4.098 4.320 -0.000 0.000 0.231 519 K C 0.281 176.873 176.600 -0.013 0.000 1.044 519 K CA 1.774 58.044 56.287 -0.029 0.000 0.996 519 K CB -0.188 32.265 32.500 -0.077 0.000 0.738 519 K HN 0.447 nan 8.250 nan 0.000 0.447 520 K N 1.195 121.641 120.400 0.076 0.000 2.499 520 K HA 0.259 4.578 4.320 -0.000 0.000 0.215 520 K C -0.749 175.910 176.600 0.098 0.000 1.041 520 K CA -0.319 56.007 56.287 0.065 0.000 1.031 520 K CB 1.143 33.653 32.500 0.017 0.000 1.479 520 K HN -0.011 nan 8.250 nan 0.000 0.518 521 K N 1.709 122.100 120.400 -0.015 0.000 2.572 521 K HA 0.148 4.467 4.320 -0.000 0.000 0.263 521 K C -1.346 175.212 176.600 -0.071 0.000 0.932 521 K CA -0.686 55.541 56.287 -0.099 0.000 0.838 521 K CB 2.044 34.374 32.500 -0.283 0.000 1.366 521 K HN 0.295 nan 8.250 nan 0.000 0.425 522 K N 3.782 124.141 120.400 -0.067 0.000 2.395 522 K HA 0.020 4.340 4.320 -0.000 0.000 0.283 522 K C -0.135 176.520 176.600 0.091 0.000 1.068 522 K CA 0.150 56.441 56.287 0.007 0.000 1.039 522 K CB 0.488 33.000 32.500 0.021 0.000 0.924 522 K HN 0.316 nan 8.250 nan 0.000 0.468 523 Q N 3.308 123.177 119.800 0.114 0.000 2.364 523 Q HA 0.038 4.378 4.340 -0.000 0.000 0.267 523 Q C -0.540 175.570 176.000 0.183 0.000 0.999 523 Q CA 0.440 56.350 55.803 0.178 0.000 0.886 523 Q CB 1.015 29.805 28.738 0.086 0.000 1.243 523 Q HN 0.585 nan 8.270 nan 0.000 0.415 524 Q N 1.117 121.035 119.800 0.196 0.000 2.305 524 Q HA 0.383 4.722 4.340 -0.000 0.000 0.271 524 Q C -1.066 174.960 176.000 0.043 0.000 1.046 524 Q CA -0.629 55.265 55.803 0.153 0.000 0.798 524 Q CB 2.482 31.383 28.738 0.271 0.000 1.286 524 Q HN 0.304 nan 8.270 nan 0.000 0.435 525 K N 1.787 122.203 120.400 0.026 0.000 2.218 525 K HA 0.256 4.576 4.320 -0.000 0.000 0.276 525 K C 0.951 177.515 176.600 -0.062 0.000 1.022 525 K CA -0.198 56.070 56.287 -0.032 0.000 0.946 525 K CB 1.149 33.644 32.500 -0.009 0.000 1.000 525 K HN 0.548 nan 8.250 nan 0.000 0.468 526 I N 2.755 123.229 120.570 -0.160 0.000 2.145 526 I HA -0.432 3.738 4.170 -0.000 0.000 0.244 526 I C 2.414 178.504 176.117 -0.045 0.000 1.075 526 I CA 1.764 62.935 61.300 -0.216 0.000 1.332 526 I CB -0.339 37.480 38.000 -0.301 0.000 1.033 526 I HN 0.705 nan 8.210 nan 0.000 0.410 527 K N 0.596 120.986 120.400 -0.016 0.000 2.103 527 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 527 K C 1.605 178.234 176.600 0.049 0.000 1.048 527 K CA 1.871 58.174 56.287 0.026 0.000 0.930 527 K CB -0.409 32.101 32.500 0.018 0.000 0.716 527 K HN 0.336 nan 8.250 nan 0.000 0.444 528 N N 0.940 119.669 118.700 0.048 0.000 2.333 528 N HA 0.021 4.761 4.740 -0.000 0.000 0.178 528 N C 1.938 177.506 175.510 0.097 0.000 1.018 528 N CA 0.876 53.969 53.050 0.071 0.000 0.882 528 N CB -0.126 38.405 38.487 0.073 0.000 0.984 528 N HN 0.222 nan 8.380 nan 0.000 0.434 529 I N 0.807 121.440 120.570 0.105 0.000 2.127 529 I HA -0.255 3.914 4.170 -0.000 0.000 0.241 529 I C 1.755 177.959 176.117 0.146 0.000 1.075 529 I CA 0.883 62.259 61.300 0.127 0.000 1.334 529 I CB -0.200 37.895 38.000 0.159 0.000 1.040 529 I HN 0.003 nan 8.210 nan 0.000 0.405 530 L N 0.523 121.847 121.223 0.168 0.000 2.042 530 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 530 L C 2.725 179.701 176.870 0.177 0.000 1.076 530 L CA 2.220 57.199 54.840 0.233 0.000 0.749 530 L CB -1.405 40.773 42.059 0.198 0.000 0.893 530 L HN 0.404 nan 8.230 nan 0.000 0.432 531 S N -1.397 114.372 115.700 0.116 0.000 2.522 531 S HA -0.043 4.427 4.470 -0.000 0.000 0.227 531 S C 1.126 175.769 174.600 0.071 0.000 0.986 531 S CA -0.077 58.172 58.200 0.081 0.000 0.929 531 S CB -0.701 62.536 63.200 0.061 0.000 0.769 531 S HN 0.422 nan 8.310 nan 0.000 0.529 532 N N 2.428 121.180 118.700 0.086 0.000 2.400 532 N HA 0.144 4.884 4.740 -0.000 0.000 0.267 532 N C 0.548 176.083 175.510 0.041 0.000 1.208 532 N CA 0.109 53.195 53.050 0.059 0.000 0.951 532 N CB 0.581 39.107 38.487 0.064 0.000 1.227 532 N HN 0.424 nan 8.380 nan 0.000 0.488 533 K N 1.536 121.943 120.400 0.013 0.000 2.217 533 K HA -0.030 4.289 4.320 -0.000 0.000 0.202 533 K C 1.299 177.873 176.600 -0.045 0.000 1.051 533 K CA 1.086 57.368 56.287 -0.009 0.000 0.952 533 K CB 0.262 32.757 32.500 -0.009 0.000 0.736 533 K HN 0.445 nan 8.250 nan 0.000 0.453 534 T N 2.176 116.682 114.554 -0.080 0.000 2.812 534 T HA -0.052 4.297 4.350 -0.000 0.000 0.264 534 T C 1.673 176.167 174.700 -0.343 0.000 1.042 534 T CA 0.557 62.538 62.100 -0.199 0.000 1.140 534 T CB -0.047 68.697 68.868 -0.207 0.000 0.870 534 T HN 0.138 nan 8.240 nan 0.000 0.445 535 L N 1.021 122.127 121.223 -0.194 0.000 2.046 535 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 535 L C 2.766 179.662 176.870 0.044 0.000 1.077 535 L CA 1.642 56.418 54.840 -0.106 0.000 0.747 535 L CB -0.433 41.585 42.059 -0.068 0.000 0.896 535 L HN 0.216 nan 8.230 nan 0.000 0.432 536 R N -0.056 120.476 120.500 0.054 0.000 2.081 536 R HA -0.212 4.127 4.340 -0.000 0.000 0.235 536 R C 2.075 178.365 176.300 -0.016 0.000 1.131 536 R CA 1.809 57.904 56.100 -0.009 0.000 0.960 536 R CB -0.086 30.151 30.300 -0.105 0.000 0.856 536 R HN 0.473 nan 8.270 nan 0.000 0.436 537 E N -0.935 119.267 120.200 0.002 0.000 2.031 537 E HA -0.219 4.130 4.350 -0.000 0.000 0.193 537 E C 2.013 178.739 176.600 0.210 0.000 0.994 537 E CA 1.457 57.897 56.400 0.066 0.000 0.800 537 E CB -0.144 29.586 29.700 0.050 0.000 0.752 537 E HN 0.451 nan 8.360 nan 0.000 0.447 538 H N 0.693 119.814 119.070 0.085 0.000 2.289 538 H HA -0.098 4.457 4.556 -0.000 0.000 0.296 538 H C 1.854 177.286 175.328 0.173 0.000 1.091 538 H CA 1.269 57.404 56.048 0.144 0.000 1.274 538 H CB -0.424 29.425 29.762 0.145 0.000 1.364 538 H HN 0.160 nan 8.280 nan 0.000 0.490 539 N N -0.062 118.807 118.700 0.283 0.000 2.396 539 N HA -0.105 4.635 4.740 -0.000 0.000 0.180 539 N C 2.009 177.570 175.510 0.086 0.000 1.028 539 N CA 0.891 54.071 53.050 0.216 0.000 0.893 539 N CB -0.009 38.671 38.487 0.322 0.000 0.967 539 N HN 0.277 nan 8.380 nan 0.000 0.440 540 S N 0.475 116.210 115.700 0.059 0.000 2.371 540 S HA -0.088 4.381 4.470 -0.000 0.000 0.224 540 S C 1.801 176.402 174.600 0.002 0.000 1.029 540 S CA 0.454 58.654 58.200 -0.002 0.000 0.978 540 S CB -0.346 62.849 63.200 -0.008 0.000 0.833 540 S HN 0.362 nan 8.310 nan 0.000 0.466 541 F N 1.956 121.862 119.950 -0.074 0.000 2.146 541 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 541 F C 2.057 177.698 175.800 -0.264 0.000 1.096 541 F CA 1.511 59.434 58.000 -0.128 0.000 1.275 541 F CB -0.430 38.522 39.000 -0.080 0.000 1.008 541 F HN 0.069 nan 8.300 nan 0.000 0.480 542 V N 1.065 120.733 119.914 -0.410 0.000 2.287 542 V HA -0.356 3.763 4.120 -0.000 0.000 0.248 542 V C 2.409 178.048 176.094 -0.759 0.000 1.053 542 V CA 2.370 64.211 62.300 -0.765 0.000 1.027 542 V CB -0.908 30.657 31.823 -0.430 0.000 0.646 542 V HN 0.517 nan 8.190 nan 0.000 0.447 543 E N 0.363 120.332 120.200 -0.385 0.000 2.147 543 E HA -0.347 4.002 4.350 -0.000 0.000 0.199 543 E C 2.299 178.696 176.600 -0.338 0.000 1.005 543 E CA 2.029 58.262 56.400 -0.278 0.000 0.810 543 E CB -0.134 29.489 29.700 -0.129 0.000 0.736 543 E HN 0.523 nan 8.360 nan 0.000 0.460 544 R N 0.042 120.310 120.500 -0.386 0.000 2.075 544 R HA -0.099 4.240 4.340 -0.000 0.000 0.232 544 R C 2.341 178.368 176.300 -0.454 0.000 1.126 544 R CA 1.930 57.828 56.100 -0.336 0.000 0.963 544 R CB -0.753 29.375 30.300 -0.286 0.000 0.858 544 R HN 0.284 nan 8.270 nan 0.000 0.435 545 C N 0.023 118.801 119.300 -0.870 0.000 2.429 545 C HA 0.005 4.465 4.460 -0.000 0.000 0.277 545 C C 2.504 176.993 174.990 -0.835 0.000 1.262 545 C CA 0.618 58.991 59.018 -1.076 0.000 1.733 545 C CB -0.846 25.503 27.740 -2.318 0.000 2.010 545 C HN 0.538 nan 8.230 nan 0.000 0.483 546 I N 1.054 121.122 120.570 -0.837 0.000 2.252 546 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 546 I C 2.109 178.074 176.117 -0.253 0.000 1.102 546 I CA 1.449 62.426 61.300 -0.539 0.000 1.385 546 I CB -0.631 37.150 38.000 -0.365 0.000 1.064 546 I HN 0.267 nan 8.210 nan 0.000 0.414 547 D N 0.395 120.679 120.400 -0.194 0.000 2.149 547 D HA -0.245 4.395 4.640 -0.000 0.000 0.198 547 D C 1.729 178.016 176.300 -0.023 0.000 0.990 547 D CA 0.999 54.947 54.000 -0.086 0.000 0.839 547 D CB -0.384 40.373 40.800 -0.071 0.000 0.948 547 D HN 0.495 nan 8.370 nan 0.000 0.460 548 W N 1.894 123.083 121.300 -0.184 0.000 2.335 548 W HA -0.193 4.467 4.660 0.001 0.000 0.311 548 W C 1.664 178.141 176.519 -0.070 0.000 1.213 548 W CA 1.054 58.329 57.345 -0.116 0.000 1.274 548 W CB -0.231 29.168 29.460 -0.102 0.000 1.148 548 W HN -0.018 nan 8.180 nan 0.000 0.498 549 N N 0.368 119.097 118.700 0.049 0.000 2.244 549 N HA -0.179 4.561 4.740 -0.000 0.000 0.183 549 N C 1.946 177.460 175.510 0.006 0.000 1.016 549 N CA 1.139 54.210 53.050 0.036 0.000 0.866 549 N CB -0.604 37.913 38.487 0.049 0.000 0.980 549 N HN 0.280 nan 8.380 nan 0.000 0.430 550 R N 1.398 121.887 120.500 -0.018 0.000 2.094 550 R HA -0.126 4.213 4.340 -0.000 0.000 0.239 550 R C 1.416 177.684 176.300 -0.054 0.000 1.137 550 R CA 1.328 57.420 56.100 -0.012 0.000 0.943 550 R CB 0.114 30.401 30.300 -0.022 0.000 0.850 550 R HN 0.149 nan 8.270 nan 0.000 0.433 551 E N 0.580 120.705 120.200 -0.126 0.000 2.152 551 E HA -0.156 4.193 4.350 -0.000 0.000 0.192 551 E C 1.929 178.405 176.600 -0.207 0.000 0.983 551 E CA 0.463 56.761 56.400 -0.171 0.000 0.818 551 E CB -0.291 29.269 29.700 -0.233 0.000 0.758 551 E HN 0.214 nan 8.360 nan 0.000 0.467 552 L N 0.995 122.059 121.223 -0.266 0.000 1.994 552 L HA -0.133 4.206 4.340 -0.000 0.000 0.208 552 L C 2.247 179.057 176.870 -0.100 0.000 1.071 552 L CA 1.494 56.199 54.840 -0.224 0.000 0.745 552 L CB -0.949 40.973 42.059 -0.229 0.000 0.892 552 L HN 0.070 nan 8.230 nan 0.000 0.431 553 L N -0.753 120.448 121.223 -0.036 0.000 2.042 553 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 553 L C 2.569 179.447 176.870 0.013 0.000 1.076 553 L CA 1.521 56.373 54.840 0.019 0.000 0.749 553 L CB -0.566 41.538 42.059 0.076 0.000 0.893 553 L HN 0.248 nan 8.230 nan 0.000 0.432 554 K N -0.386 120.009 120.400 -0.009 0.000 2.032 554 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 554 K C 2.290 178.878 176.600 -0.020 0.000 1.048 554 K CA 1.510 57.794 56.287 -0.004 0.000 0.927 554 K CB -0.202 32.285 32.500 -0.023 0.000 0.712 554 K HN 0.158 nan 8.250 nan 0.000 0.441 555 R N 0.992 121.459 120.500 -0.055 0.000 2.070 555 R HA -0.141 4.199 4.340 -0.000 0.000 0.233 555 R C 1.813 178.085 176.300 -0.047 0.000 1.137 555 R CA 1.588 57.654 56.100 -0.056 0.000 0.945 555 R CB 0.069 30.316 30.300 -0.089 0.000 0.845 555 R HN 0.125 nan 8.270 nan 0.000 0.430 556 E N 0.012 120.174 120.200 -0.064 0.000 2.285 556 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 556 E C 1.330 177.858 176.600 -0.120 0.000 0.997 556 E CA 0.624 56.969 56.400 -0.091 0.000 0.845 556 E CB 0.269 29.906 29.700 -0.105 0.000 0.782 556 E HN 0.246 nan 8.360 nan 0.000 0.491 557 L N -0.735 120.452 121.223 -0.060 0.000 2.766 557 L HA 0.278 4.618 4.340 -0.000 0.000 0.242 557 L C 1.044 177.936 176.870 0.036 0.000 1.136 557 L CA 0.537 55.354 54.840 -0.039 0.000 0.933 557 L CB 0.211 42.283 42.059 0.021 0.000 1.241 557 L HN 0.153 nan 8.230 nan 0.000 0.522 558 G N 0.591 109.410 108.800 0.032 0.000 2.221 558 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.265 558 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.265 558 G C 0.240 175.180 174.900 0.066 0.000 1.041 558 G CA 0.290 45.418 45.100 0.047 0.000 0.807 558 G HN 0.263 nan 8.290 nan 0.000 0.502 559 L N -0.308 120.961 121.223 0.077 0.000 2.375 559 L HA 0.717 5.056 4.340 -0.000 0.000 0.271 559 L C 0.927 177.824 176.870 0.044 0.000 1.107 559 L CA -0.262 54.634 54.840 0.094 0.000 0.806 559 L CB 1.388 43.530 42.059 0.138 0.000 1.146 559 L HN 0.347 nan 8.230 nan 0.000 0.447 560 A N 1.143 123.980 122.820 0.030 0.000 2.288 560 A HA 0.383 4.702 4.320 -0.000 0.000 0.328 560 A C 0.789 178.379 177.584 0.010 0.000 1.123 560 A CA -0.514 51.529 52.037 0.009 0.000 0.861 560 A CB 0.880 19.878 19.000 -0.004 0.000 1.272 560 A HN 0.766 nan 8.150 nan 0.000 0.490 561 E N 0.501 120.703 120.200 0.002 0.000 2.160 561 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 561 E C 2.189 178.788 176.600 -0.001 0.000 0.991 561 E CA 1.857 58.258 56.400 0.002 0.000 0.810 561 E CB -0.372 29.328 29.700 -0.002 0.000 0.742 561 E HN 0.747 nan 8.360 nan 0.000 0.466 562 S N 0.756 116.449 115.700 -0.012 0.000 2.507 562 S HA -0.091 4.378 4.470 -0.000 0.000 0.235 562 S C 1.147 175.722 174.600 -0.042 0.000 0.988 562 S CA 0.749 58.934 58.200 -0.025 0.000 0.944 562 S CB 0.027 63.208 63.200 -0.032 0.000 0.762 562 S HN 0.084 nan 8.310 nan 0.000 0.526 563 D N 1.132 121.510 120.400 -0.036 0.000 2.349 563 D HA 0.273 4.913 4.640 -0.000 0.000 0.215 563 D C 0.279 176.595 176.300 0.028 0.000 1.016 563 D CA 0.350 54.319 54.000 -0.052 0.000 0.870 563 D CB 0.201 40.986 40.800 -0.024 0.000 0.917 563 D HN 0.476 nan 8.370 nan 0.000 0.524 564 I N 1.343 121.929 120.570 0.027 0.000 2.433 564 I HA 0.322 4.492 4.170 -0.000 0.000 0.292 564 I C -0.206 175.925 176.117 0.023 0.000 1.001 564 I CA -0.663 60.658 61.300 0.035 0.000 1.119 564 I CB 2.446 40.466 38.000 0.032 0.000 1.289 564 I HN -0.371 nan 8.210 nan 0.000 0.438 565 I N 4.578 125.163 120.570 0.025 0.000 2.406 565 I HA 0.283 4.452 4.170 -0.000 0.000 0.290 565 I C -0.848 175.289 176.117 0.034 0.000 0.999 565 I CA -0.719 60.597 61.300 0.027 0.000 1.124 565 I CB 1.926 39.944 38.000 0.030 0.000 1.289 565 I HN 0.442 nan 8.210 nan 0.000 0.441 566 D N 6.700 127.124 120.400 0.039 0.000 2.277 566 D HA 0.340 4.979 4.640 -0.000 0.000 0.249 566 D C -0.187 176.151 176.300 0.063 0.000 1.134 566 D CA -0.114 53.917 54.000 0.053 0.000 0.863 566 D CB 2.059 42.889 40.800 0.049 0.000 1.143 566 D HN 0.133 nan 8.370 nan 0.000 0.458 567 I N 4.567 125.187 120.570 0.083 0.000 2.336 567 I HA 0.187 4.357 4.170 -0.000 0.000 0.292 567 I C -2.131 174.052 176.117 0.111 0.000 0.991 567 I CA -2.737 58.621 61.300 0.097 0.000 1.227 567 I CB 1.190 39.256 38.000 0.111 0.000 1.366 567 I HN -0.035 nan 8.210 nan 0.000 0.466 568 P HA 0.119 nan 4.420 nan 0.000 0.267 568 P C -0.725 176.681 177.300 0.178 0.000 1.209 568 P CA -0.069 63.083 63.100 0.087 0.000 0.763 568 P CB 0.818 32.533 31.700 0.025 0.000 0.816 569 Q N 2.938 122.808 119.800 0.117 0.000 2.313 569 Q HA 0.427 4.767 4.340 -0.000 0.000 0.255 569 Q C -1.917 173.959 176.000 -0.206 0.000 0.944 569 Q CA -0.442 55.320 55.803 -0.068 0.000 0.881 569 Q CB 0.822 29.530 28.738 -0.049 0.000 1.375 569 Q HN 0.135 nan 8.270 nan 0.000 0.422 570 L N 4.025 124.891 121.223 -0.594 0.000 2.357 570 L HA 0.666 5.006 4.340 -0.000 0.000 0.273 570 L C -0.710 175.878 176.870 -0.470 0.000 1.080 570 L CA 0.097 54.726 54.840 -0.351 0.000 0.803 570 L CB 0.680 42.588 42.059 -0.252 0.000 1.174 570 L HN 0.689 nan 8.230 nan 0.000 0.443 571 F N 1.140 121.103 119.950 0.021 0.000 2.631 571 F HA 0.675 5.202 4.527 -0.000 0.000 0.328 571 F C -0.111 175.820 175.800 0.218 0.000 1.067 571 F CA -0.850 57.240 58.000 0.151 0.000 0.969 571 F CB 1.696 40.806 39.000 0.182 0.000 1.332 571 F HN 0.345 nan 8.300 nan 0.000 0.490 572 K N 1.120 121.821 120.400 0.502 0.000 2.469 572 K HA 0.693 5.013 4.320 -0.000 0.000 0.254 572 K C -1.989 174.803 176.600 0.321 0.000 0.939 572 K CA -0.776 55.787 56.287 0.460 0.000 0.812 572 K CB 2.206 35.016 32.500 0.516 0.000 1.301 572 K HN 0.615 nan 8.250 nan 0.000 0.433 573 L N 2.571 123.871 121.223 0.128 0.000 2.312 573 L HA 0.418 4.758 4.340 -0.000 0.000 0.281 573 L C 0.498 177.384 176.870 0.027 0.000 1.070 573 L CA -0.573 54.220 54.840 -0.079 0.000 0.805 573 L CB 1.010 42.762 42.059 -0.513 0.000 1.174 573 L HN 0.757 nan 8.230 nan 0.000 0.434 574 K N 1.456 121.883 120.400 0.046 0.000 2.755 574 K HA 0.320 4.639 4.320 -0.000 0.000 0.309 574 K C -0.544 176.046 176.600 -0.017 0.000 0.972 574 K CA -0.831 55.483 56.287 0.046 0.000 1.092 574 K CB 0.314 32.862 32.500 0.081 0.000 3.486 574 K HN 0.470 nan 8.250 nan 0.000 1.168 575 E N 1.389 121.568 120.200 -0.036 0.000 2.417 575 E HA -0.001 4.349 4.350 -0.000 0.000 0.261 575 E C -0.889 175.683 176.600 -0.047 0.000 1.000 575 E CA 0.340 56.630 56.400 -0.183 0.000 0.919 575 E CB -0.202 29.427 29.700 -0.120 0.000 0.955 575 E HN 0.322 nan 8.360 nan 0.000 0.455 576 F N 1.196 121.133 119.950 -0.022 0.000 3.084 576 F HA -0.311 4.215 4.527 -0.000 0.000 0.286 576 F C 0.801 176.581 175.800 -0.034 0.000 0.855 576 F CA 0.777 58.761 58.000 -0.027 0.000 1.091 576 F CB -2.646 36.338 39.000 -0.028 0.000 1.177 576 F HN 0.533 nan 8.300 nan 0.000 0.542 577 S N -1.977 113.746 115.700 0.038 0.000 3.521 577 S HA -0.228 4.242 4.470 -0.000 0.000 0.328 577 S C 0.465 175.094 174.600 0.049 0.000 1.165 577 S CA 1.042 59.226 58.200 -0.026 0.000 0.941 577 S CB -0.657 62.487 63.200 -0.093 0.000 0.951 577 S HN 0.440 nan 8.310 nan 0.000 0.539 578 K N 1.207 121.667 120.400 0.099 0.000 2.174 578 K HA 0.684 5.004 4.320 -0.000 0.000 0.275 578 K C 0.371 177.041 176.600 0.117 0.000 1.015 578 K CA -0.036 56.321 56.287 0.116 0.000 0.933 578 K CB 1.197 33.751 32.500 0.089 0.000 1.025 578 K HN 0.333 nan 8.250 nan 0.000 0.463 579 A N 3.039 125.949 122.820 0.150 0.000 2.327 579 A HA 0.380 4.700 4.320 -0.000 0.000 0.283 579 A C -0.361 177.347 177.584 0.205 0.000 1.127 579 A CA -0.283 51.889 52.037 0.225 0.000 0.810 579 A CB 0.390 19.595 19.000 0.342 0.000 1.066 579 A HN 0.720 nan 8.150 nan 0.000 0.492 580 E N 0.405 120.807 120.200 0.336 0.000 2.393 580 E HA 0.553 4.902 4.350 -0.000 0.000 0.273 580 E C -0.701 176.111 176.600 0.353 0.000 0.918 580 E CA -1.043 55.533 56.400 0.294 0.000 0.773 580 E CB 2.155 31.980 29.700 0.208 0.000 1.275 580 E HN 0.821 nan 8.360 nan 0.000 0.451 581 A N 1.565 124.472 122.820 0.145 0.000 2.450 581 A HA 0.134 4.454 4.320 -0.000 0.000 0.255 581 A C 0.104 177.714 177.584 0.043 0.000 1.096 581 A CA 0.032 51.987 52.037 -0.136 0.000 0.778 581 A CB -0.209 18.723 19.000 -0.113 0.000 1.031 581 A HN 0.815 nan 8.150 nan 0.000 0.494 582 F N 2.630 122.450 119.950 -0.217 0.000 2.163 582 F HA 0.165 4.691 4.527 -0.000 0.000 0.297 582 F C 0.485 176.462 175.800 0.294 0.000 1.094 582 F CA 1.258 59.280 58.000 0.036 0.000 1.290 582 F CB 0.042 39.033 39.000 -0.016 0.000 1.017 582 F HN 0.646 nan 8.300 nan 0.000 0.483 583 F N -1.512 118.617 119.950 0.297 0.000 2.631 583 F HA 0.651 5.177 4.527 -0.000 0.000 0.328 583 F C -2.905 172.889 175.800 -0.011 0.000 1.067 583 F CA -4.069 54.062 58.000 0.218 0.000 0.969 583 F CB -0.722 38.401 39.000 0.205 0.000 1.332 583 F HN -0.402 nan 8.300 nan 0.000 0.490 584 P HA -0.108 nan 4.420 nan 0.000 0.257 584 P C -0.515 176.893 177.300 0.180 0.000 1.162 584 P CA 0.499 63.562 63.100 -0.062 0.000 0.762 584 P CB 0.148 31.868 31.700 0.033 0.000 0.753 585 N N 3.902 122.678 118.700 0.127 0.000 2.410 585 N HA 0.020 4.760 4.740 -0.000 0.000 0.281 585 N C 1.106 176.701 175.510 0.142 0.000 1.241 585 N CA 0.389 53.480 53.050 0.068 0.000 0.998 585 N CB -0.104 38.427 38.487 0.073 0.000 1.376 585 N HN 0.377 nan 8.380 nan 0.000 0.490 586 M N 1.498 121.203 119.600 0.174 0.000 2.374 586 M HA -0.121 4.358 4.480 -0.000 0.000 0.264 586 M C 1.779 178.164 176.300 0.141 0.000 1.067 586 M CA 0.737 56.154 55.300 0.196 0.000 1.103 586 M CB 0.108 32.856 32.600 0.248 0.000 1.402 586 M HN 0.309 nan 8.290 nan 0.000 0.444 587 V N 0.866 120.853 119.914 0.122 0.000 2.809 587 V HA -0.127 3.993 4.120 -0.000 0.000 0.256 587 V C 1.188 177.304 176.094 0.038 0.000 1.080 587 V CA 1.189 63.535 62.300 0.078 0.000 1.102 587 V CB -0.529 31.350 31.823 0.094 0.000 0.705 587 V HN 0.450 nan 8.190 nan 0.000 0.475 588 N N 1.982 120.733 118.700 0.086 0.000 3.178 588 N HA 0.119 4.858 4.740 -0.000 0.000 0.300 588 N C -0.066 175.539 175.510 0.157 0.000 1.242 588 N CA -0.114 53.001 53.050 0.107 0.000 1.192 588 N CB -0.142 38.445 38.487 0.167 0.000 1.463 588 N HN 0.679 nan 8.380 nan 0.000 0.539 589 M N -0.243 119.412 119.600 0.092 0.000 2.705 589 M HA 0.457 4.937 4.480 -0.000 0.000 0.311 589 M C -0.920 175.480 176.300 0.167 0.000 1.214 589 M CA -1.081 54.284 55.300 0.107 0.000 0.920 589 M CB 1.681 34.307 32.600 0.044 0.000 1.687 589 M HN -0.083 nan 8.290 nan 0.000 0.481 590 L N 2.304 123.607 121.223 0.134 0.000 2.272 590 L HA 0.581 4.921 4.340 -0.000 0.000 0.289 590 L C -1.421 175.506 176.870 0.095 0.000 1.032 590 L CA -0.308 54.622 54.840 0.150 0.000 0.810 590 L CB 1.531 43.639 42.059 0.082 0.000 1.205 590 L HN 0.633 nan 8.230 nan 0.000 0.422 591 V N 7.171 127.156 119.914 0.120 0.000 2.294 591 V HA 0.324 4.444 4.120 -0.000 0.000 0.272 591 V C -0.380 175.765 176.094 0.086 0.000 1.027 591 V CA -0.375 61.977 62.300 0.087 0.000 0.823 591 V CB 1.027 32.905 31.823 0.092 0.000 1.030 591 V HN 0.483 nan 8.190 nan 0.000 0.457 592 L N 5.766 127.038 121.223 0.082 0.000 2.504 592 L HA 0.692 5.032 4.340 -0.000 0.000 0.249 592 L C 1.064 178.001 176.870 0.112 0.000 1.120 592 L CA 0.974 55.868 54.840 0.091 0.000 0.997 592 L CB -0.015 42.094 42.059 0.083 0.000 1.349 592 L HN 0.843 nan 8.230 nan 0.000 0.439 593 G N 2.329 111.171 108.800 0.071 0.000 2.622 593 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.307 593 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.307 593 G C 1.014 175.913 174.900 -0.003 0.000 1.226 593 G CA 0.294 45.420 45.100 0.043 0.000 0.997 593 G HN 0.391 nan 8.290 nan 0.000 0.551 594 K N 2.108 122.451 120.400 -0.094 0.000 2.525 594 K HA 0.125 4.445 4.320 -0.000 0.000 0.192 594 K C 0.839 177.253 176.600 -0.310 0.000 1.029 594 K CA 0.478 56.642 56.287 -0.204 0.000 1.029 594 K CB -0.234 32.114 32.500 -0.253 0.000 0.814 594 K HN 0.677 nan 8.250 nan 0.000 0.503 595 H N 0.853 119.913 119.070 -0.018 0.000 2.552 595 H HA 0.272 4.828 4.556 -0.000 0.000 0.311 595 H C -0.086 175.215 175.328 -0.045 0.000 1.071 595 H CA -0.414 55.612 56.048 -0.037 0.000 1.307 595 H CB 0.840 30.581 29.762 -0.035 0.000 1.416 595 H HN -0.098 nan 8.280 nan 0.000 0.464 596 L N 2.083 123.313 121.223 0.012 0.000 2.322 596 L HA 0.409 4.749 4.340 -0.000 0.000 0.281 596 L C 0.909 177.722 176.870 -0.095 0.000 1.014 596 L CA -0.994 53.821 54.840 -0.041 0.000 0.815 596 L CB 1.917 43.925 42.059 -0.085 0.000 1.247 596 L HN 0.631 nan 8.230 nan 0.000 0.421 597 G N 4.800 113.559 108.800 -0.069 0.000 2.607 597 G HA2 0.598 4.558 3.960 -0.000 0.000 0.332 597 G HA3 0.598 4.558 3.960 -0.000 0.000 0.332 597 G C -0.397 174.459 174.900 -0.074 0.000 1.046 597 G CA -0.283 44.758 45.100 -0.099 0.000 1.099 597 G HN 0.444 nan 8.290 nan 0.000 0.451 598 I N 3.856 124.334 120.570 -0.153 0.000 2.377 598 I HA 0.276 4.446 4.170 -0.000 0.000 0.293 598 I C -1.989 174.183 176.117 0.092 0.000 0.987 598 I CA -2.605 58.652 61.300 -0.071 0.000 1.185 598 I CB 2.567 40.402 38.000 -0.274 0.000 1.341 598 I HN 0.231 nan 8.210 nan 0.000 0.455 599 P HA -0.063 nan 4.420 nan 0.000 0.262 599 P C -0.652 176.813 177.300 0.275 0.000 1.182 599 P CA -0.082 63.157 63.100 0.233 0.000 0.761 599 P CB 0.429 32.268 31.700 0.232 0.000 0.795 600 K N 6.448 126.973 120.400 0.208 0.000 2.382 600 K HA 0.065 4.385 4.320 -0.000 0.000 0.286 600 K C -1.341 175.225 176.600 -0.056 0.000 1.062 600 K CA -1.427 54.853 56.287 -0.013 0.000 1.000 600 K CB 0.353 32.674 32.500 -0.298 0.000 0.954 600 K HN 0.306 nan 8.250 nan 0.000 0.470 601 P HA -0.093 nan 4.420 nan 0.000 0.225 601 P C -0.413 176.916 177.300 0.048 0.000 1.156 601 P CA 0.413 63.511 63.100 -0.003 0.000 0.787 601 P CB -0.054 31.516 31.700 -0.217 0.000 0.802 602 F N -0.832 119.044 119.950 -0.124 0.000 2.983 602 F HA -0.155 4.372 4.527 -0.000 0.000 0.288 602 F C 1.231 176.872 175.800 -0.264 0.000 0.980 602 F CA 0.134 58.049 58.000 -0.142 0.000 0.965 602 F CB -2.073 36.886 39.000 -0.069 0.000 0.967 602 F HN 0.008 nan 8.300 nan 0.000 0.800 603 G N 0.019 108.671 108.800 -0.246 0.000 2.588 603 G HA2 0.590 4.549 3.960 -0.000 0.000 0.281 603 G HA3 0.590 4.549 3.960 -0.000 0.000 0.281 603 G C -2.600 172.143 174.900 -0.261 0.000 1.236 603 G CA -1.485 43.415 45.100 -0.333 0.000 0.969 603 G HN 0.008 nan 8.290 nan 0.000 0.504 604 P HA 0.137 nan 4.420 nan 0.000 0.264 604 P C -0.264 176.911 177.300 -0.208 0.000 1.193 604 P CA -0.199 62.738 63.100 -0.272 0.000 0.763 604 P CB 0.872 32.339 31.700 -0.388 0.000 0.810 605 V N 6.361 126.183 119.914 -0.154 0.000 2.408 605 V HA 0.231 4.350 4.120 -0.000 0.000 0.267 605 V C 0.508 176.522 176.094 -0.133 0.000 1.047 605 V CA 0.197 62.420 62.300 -0.129 0.000 0.937 605 V CB 0.154 31.928 31.823 -0.082 0.000 0.999 605 V HN 0.389 nan 8.190 nan 0.000 0.472 606 I N 4.366 124.829 120.570 -0.177 0.000 2.533 606 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 606 I C 0.385 176.398 176.117 -0.173 0.000 1.056 606 I CA -0.453 60.692 61.300 -0.258 0.000 1.057 606 I CB 1.709 39.414 38.000 -0.492 0.000 1.240 606 I HN 0.630 nan 8.210 nan 0.000 0.423 607 N N 4.990 123.630 118.700 -0.099 0.000 2.707 607 N HA -0.212 4.528 4.740 -0.000 0.000 0.253 607 N C 0.892 176.373 175.510 -0.048 0.000 0.998 607 N CA 1.461 54.485 53.050 -0.044 0.000 0.751 607 N CB -0.657 37.805 38.487 -0.042 0.000 0.920 607 N HN 1.165 nan 8.380 nan 0.000 0.539 608 G N -1.228 107.544 108.800 -0.047 0.000 2.179 608 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 608 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 608 G C 0.057 174.922 174.900 -0.059 0.000 0.977 608 G CA 0.520 45.596 45.100 -0.041 0.000 0.641 608 G HN 0.702 nan 8.290 nan 0.000 0.533 609 R N -0.611 119.838 120.500 -0.086 0.000 2.604 609 R HA 0.439 4.779 4.340 -0.000 0.000 0.281 609 R C 0.157 176.368 176.300 -0.148 0.000 1.020 609 R CA -0.138 55.897 56.100 -0.109 0.000 0.899 609 R CB 1.189 31.431 30.300 -0.096 0.000 1.205 609 R HN 0.538 nan 8.270 nan 0.000 0.450 610 C N 5.193 124.383 119.300 -0.184 0.000 2.517 610 C HA -0.011 4.449 4.460 -0.000 0.000 0.403 610 C C 2.365 177.223 174.990 -0.221 0.000 1.467 610 C CA -0.253 58.628 59.018 -0.228 0.000 1.542 610 C CB -1.494 26.059 27.740 -0.312 0.000 2.482 610 C HN 0.916 nan 8.230 nan 0.000 0.610 611 C N 4.641 123.830 119.300 -0.185 0.000 2.448 611 C HA -0.009 4.451 4.460 -0.000 0.000 0.280 611 C C 2.162 177.085 174.990 -0.113 0.000 1.398 611 C CA 0.590 59.528 59.018 -0.134 0.000 1.774 611 C CB -1.852 25.825 27.740 -0.105 0.000 1.888 611 C HN 0.918 nan 8.230 nan 0.000 0.519 612 L N 1.047 122.172 121.223 -0.163 0.000 2.044 612 L HA -0.062 4.277 4.340 -0.000 0.000 0.205 612 L C 3.046 179.788 176.870 -0.213 0.000 1.075 612 L CA 1.807 56.544 54.840 -0.172 0.000 0.747 612 L CB -0.722 41.170 42.059 -0.278 0.000 0.903 612 L HN 0.336 nan 8.230 nan 0.000 0.435 613 E N -0.180 119.765 120.200 -0.424 0.000 2.058 613 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 613 E C 2.133 178.603 176.600 -0.216 0.000 0.997 613 E CA 1.179 57.175 56.400 -0.673 0.000 0.801 613 E CB -0.113 28.945 29.700 -1.070 0.000 0.746 613 E HN 0.362 nan 8.360 nan 0.000 0.450 614 E N 0.996 121.093 120.200 -0.172 0.000 2.070 614 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 614 E C 2.044 178.633 176.600 -0.019 0.000 1.004 614 E CA 1.273 57.630 56.400 -0.070 0.000 0.805 614 E CB -0.007 29.643 29.700 -0.083 0.000 0.744 614 E HN -0.062 nan 8.360 nan 0.000 0.451 615 K N 0.472 120.857 120.400 -0.025 0.000 2.032 615 K HA -0.106 4.213 4.320 -0.000 0.000 0.209 615 K C 2.081 178.706 176.600 0.043 0.000 1.048 615 K CA 1.236 57.528 56.287 0.008 0.000 0.927 615 K CB -0.621 31.882 32.500 0.004 0.000 0.712 615 K HN -0.012 nan 8.250 nan 0.000 0.441 616 V N 0.062 120.020 119.914 0.074 0.000 2.295 616 V HA -0.319 3.800 4.120 -0.000 0.000 0.246 616 V C 2.496 178.671 176.094 0.136 0.000 1.049 616 V CA 1.882 64.264 62.300 0.136 0.000 1.024 616 V CB -0.550 31.424 31.823 0.251 0.000 0.648 616 V HN 0.461 nan 8.190 nan 0.000 0.447 617 C N 0.704 120.102 119.300 0.164 0.000 2.398 617 C HA -0.191 4.268 4.460 -0.000 0.000 0.276 617 C C 3.307 178.337 174.990 0.066 0.000 1.222 617 C CA 1.763 60.855 59.018 0.124 0.000 1.746 617 C CB -1.206 26.612 27.740 0.130 0.000 2.039 617 C HN 0.782 nan 8.230 nan 0.000 0.470 618 S N 0.573 116.302 115.700 0.049 0.000 2.419 618 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 618 S C 1.583 176.202 174.600 0.031 0.000 1.019 618 S CA 1.530 59.748 58.200 0.031 0.000 0.982 618 S CB -0.629 62.584 63.200 0.022 0.000 0.789 618 S HN 0.665 nan 8.310 nan 0.000 0.490 619 L N -0.109 121.138 121.223 0.040 0.000 2.162 619 L HA 0.226 4.566 4.340 -0.000 0.000 0.205 619 L C 2.399 179.288 176.870 0.032 0.000 1.086 619 L CA 0.777 55.638 54.840 0.036 0.000 0.778 619 L CB -0.274 41.811 42.059 0.044 0.000 0.928 619 L HN 0.301 nan 8.230 nan 0.000 0.446 620 L N -1.430 119.815 121.223 0.037 0.000 2.357 620 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 620 L C 2.251 179.129 176.870 0.012 0.000 1.075 620 L CA 0.293 55.148 54.840 0.025 0.000 0.830 620 L CB -0.244 41.830 42.059 0.024 0.000 0.996 620 L HN 0.161 nan 8.230 nan 0.000 0.467 621 E N 0.965 121.175 120.200 0.017 0.000 2.085 621 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 621 E C -0.711 175.890 176.600 0.002 0.000 0.994 621 E CA 1.204 57.608 56.400 0.007 0.000 0.801 621 E CB -0.857 28.853 29.700 0.016 0.000 0.743 621 E HN 0.415 nan 8.360 nan 0.000 0.453 622 P HA -0.145 nan 4.420 nan 0.000 0.223 622 P C 0.809 178.108 177.300 -0.002 0.000 1.144 622 P CA 1.076 64.177 63.100 0.002 0.000 0.783 622 P CB 0.015 31.718 31.700 0.005 0.000 0.771 623 L N -2.751 118.471 121.223 -0.001 0.000 2.591 623 L HA 0.260 4.600 4.340 -0.000 0.000 0.228 623 L C 1.521 178.384 176.870 -0.012 0.000 1.133 623 L CA 0.615 55.453 54.840 -0.003 0.000 0.880 623 L CB -0.840 41.221 42.059 0.005 0.000 1.033 623 L HN 0.110 nan 8.230 nan 0.000 0.450 624 G N -0.105 108.684 108.800 -0.019 0.000 2.157 624 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 624 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 624 G C -0.020 174.844 174.900 -0.059 0.000 0.979 624 G CA -0.439 44.640 45.100 -0.034 0.000 0.650 624 G HN 0.071 nan 8.290 nan 0.000 0.529 625 L N 0.837 122.031 121.223 -0.048 0.000 2.326 625 L HA 0.456 4.795 4.340 -0.000 0.000 0.278 625 L C 0.763 177.587 176.870 -0.076 0.000 1.092 625 L CA -0.072 54.726 54.840 -0.070 0.000 0.810 625 L CB 1.157 43.193 42.059 -0.039 0.000 1.153 625 L HN 0.334 nan 8.230 nan 0.000 0.439 626 Q N 2.442 122.172 119.800 -0.116 0.000 2.340 626 Q HA 0.323 4.662 4.340 -0.000 0.000 0.259 626 Q C -1.026 174.923 176.000 -0.085 0.000 0.964 626 Q CA -0.445 55.311 55.803 -0.080 0.000 0.900 626 Q CB 1.421 30.117 28.738 -0.070 0.000 1.228 626 Q HN 0.562 nan 8.270 nan 0.000 0.449 627 C N 3.046 122.278 119.300 -0.114 0.000 2.246 627 C HA 0.362 4.822 4.460 -0.000 0.000 0.329 627 C C 0.522 175.287 174.990 -0.375 0.000 1.221 627 C CA -0.534 58.306 59.018 -0.297 0.000 1.697 627 C CB -0.165 27.374 27.740 -0.335 0.000 2.312 627 C HN 0.634 nan 8.230 nan 0.000 0.509 628 T N 4.004 118.335 114.554 -0.373 0.000 2.749 628 T HA 0.430 4.780 4.350 -0.000 0.000 0.287 628 T C -0.455 173.992 174.700 -0.422 0.000 0.970 628 T CA 0.015 61.957 62.100 -0.264 0.000 0.980 628 T CB 0.249 69.043 68.868 -0.123 0.000 0.924 628 T HN 0.384 nan 8.240 nan 0.000 0.456 629 F N 3.405 123.337 119.950 -0.029 0.000 2.391 629 F HA 0.489 5.016 4.527 -0.000 0.000 0.359 629 F C 0.495 176.271 175.800 -0.041 0.000 1.122 629 F CA -0.938 57.035 58.000 -0.045 0.000 1.120 629 F CB 0.563 39.508 39.000 -0.090 0.000 1.142 629 F HN 0.328 nan 8.300 nan 0.000 0.483 630 I N 3.305 123.951 120.570 0.127 0.000 2.362 630 I HA 0.188 4.357 4.170 -0.000 0.000 0.289 630 I C -0.103 176.146 176.117 0.220 0.000 0.994 630 I CA -0.995 60.373 61.300 0.113 0.000 1.158 630 I CB 1.286 39.296 38.000 0.016 0.000 1.315 630 I HN 0.460 nan 8.210 nan 0.000 0.451 631 N N 6.082 124.936 118.700 0.256 0.000 2.427 631 N HA -0.044 4.696 4.740 -0.000 0.000 0.269 631 N C 0.012 175.826 175.510 0.507 0.000 1.235 631 N CA 0.254 53.549 53.050 0.408 0.000 0.934 631 N CB 0.467 39.216 38.487 0.437 0.000 1.121 631 N HN 0.609 nan 8.380 nan 0.000 0.480 632 D N 2.977 123.696 120.400 0.532 0.000 2.563 632 D HA -0.027 4.613 4.640 -0.000 0.000 0.237 632 D C 1.002 177.582 176.300 0.466 0.000 1.282 632 D CA -0.399 53.927 54.000 0.543 0.000 0.816 632 D CB -0.893 40.193 40.800 0.477 0.000 1.066 632 D HN 0.376 nan 8.370 nan 0.000 0.501 633 F N 0.782 120.900 119.950 0.279 0.000 2.031 633 F HA 0.020 4.547 4.527 -0.000 0.000 0.295 633 F C 1.464 177.235 175.800 -0.048 0.000 1.133 633 F CA 1.615 59.649 58.000 0.056 0.000 1.188 633 F CB -0.146 38.698 39.000 -0.260 0.000 0.974 633 F HN -0.122 nan 8.300 nan 0.000 0.473 634 F N -1.246 118.919 119.950 0.358 0.000 2.780 634 F HA -0.013 4.514 4.527 -0.000 0.000 0.299 634 F C 2.400 178.221 175.800 0.035 0.000 1.146 634 F CA 1.012 59.112 58.000 0.168 0.000 1.428 634 F CB -0.375 38.711 39.000 0.145 0.000 1.115 634 F HN 0.056 nan 8.300 nan 0.000 0.583 635 T N -2.103 112.554 114.554 0.171 0.000 3.046 635 T HA 0.005 4.355 4.350 -0.000 0.000 0.242 635 T C 1.383 175.902 174.700 -0.301 0.000 1.018 635 T CA 0.994 63.060 62.100 -0.056 0.000 1.131 635 T CB -0.037 68.783 68.868 -0.081 0.000 0.904 635 T HN 0.165 nan 8.240 nan 0.000 0.459 636 Y N -0.663 119.665 120.300 0.047 0.000 2.583 636 Y HA 0.303 4.852 4.550 -0.000 0.000 0.270 636 Y C 2.411 178.429 175.900 0.197 0.000 1.113 636 Y CA 0.512 58.686 58.100 0.122 0.000 1.307 636 Y CB -0.856 37.638 38.460 0.058 0.000 1.369 636 Y HN 0.276 nan 8.280 nan 0.000 0.506 637 H N 0.825 119.977 119.070 0.137 0.000 2.289 637 H HA -0.181 4.374 4.556 -0.000 0.000 0.294 637 H C 1.827 176.992 175.328 -0.273 0.000 1.095 637 H CA 2.461 58.446 56.048 -0.105 0.000 1.256 637 H CB -0.379 29.179 29.762 -0.341 0.000 1.359 637 H HN 0.140 nan 8.280 nan 0.000 0.487 638 I N 0.725 121.023 120.570 -0.453 0.000 2.567 638 I HA -0.162 4.008 4.170 -0.000 0.000 0.257 638 I C 1.358 177.265 176.117 -0.350 0.000 1.184 638 I CA 1.255 62.255 61.300 -0.499 0.000 1.451 638 I CB -0.802 37.044 38.000 -0.257 0.000 1.089 638 I HN 0.366 nan 8.210 nan 0.000 0.441 639 R N -0.022 120.422 120.500 -0.092 0.000 2.515 639 R HA 0.166 4.506 4.340 -0.000 0.000 0.294 639 R C -0.241 176.188 176.300 0.216 0.000 1.021 639 R CA -0.113 56.087 56.100 0.167 0.000 1.081 639 R CB -0.046 30.474 30.300 0.367 0.000 1.263 639 R HN 0.367 nan 8.270 nan 0.000 0.557 640 H N -1.849 117.178 119.070 -0.072 0.000 2.976 640 H HA -0.116 4.440 4.556 -0.000 0.000 0.273 640 H C 0.209 175.376 175.328 -0.267 0.000 1.259 640 H CA 0.787 56.718 56.048 -0.194 0.000 1.122 640 H CB -1.480 28.144 29.762 -0.230 0.000 1.298 640 H HN 0.577 nan 8.280 nan 0.000 0.379 641 G N -0.811 107.993 108.800 0.007 0.000 2.660 641 G HA2 0.527 4.486 3.960 -0.000 0.000 0.290 641 G HA3 0.527 4.486 3.960 -0.000 0.000 0.290 641 G C -0.589 174.565 174.900 0.422 0.000 1.432 641 G CA -0.626 44.528 45.100 0.089 0.000 0.807 641 G HN 0.035 nan 8.290 nan 0.000 0.485 642 E N -0.898 119.529 120.200 0.379 0.000 2.646 642 E HA 0.414 4.764 4.350 -0.000 0.000 0.181 642 E C 1.795 178.537 176.600 0.236 0.000 0.715 642 E CA -0.596 56.000 56.400 0.327 0.000 1.031 642 E CB 0.111 29.970 29.700 0.266 0.000 1.878 642 E HN 0.138 nan 8.360 nan 0.000 0.370 643 V N 1.191 121.235 119.914 0.218 0.000 2.295 643 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 643 V C 2.408 178.627 176.094 0.209 0.000 1.049 643 V CA 2.113 64.536 62.300 0.205 0.000 1.024 643 V CB -0.774 31.147 31.823 0.164 0.000 0.648 643 V HN 0.566 nan 8.190 nan 0.000 0.447 644 H N 0.389 119.542 119.070 0.140 0.000 2.353 644 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 644 H C 2.253 177.693 175.328 0.187 0.000 1.090 644 H CA 1.776 57.908 56.048 0.141 0.000 1.327 644 H CB 0.146 29.980 29.762 0.121 0.000 1.383 644 H HN 0.413 nan 8.280 nan 0.000 0.508 645 A N 0.207 123.199 122.820 0.287 0.000 1.972 645 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 645 A C 2.540 180.388 177.584 0.442 0.000 1.169 645 A CA 1.359 53.603 52.037 0.346 0.000 0.635 645 A CB -0.828 18.405 19.000 0.388 0.000 0.810 645 A HN 0.526 nan 8.150 nan 0.000 0.446 646 G N -1.093 107.881 108.800 0.290 0.000 2.985 646 G HA2 0.341 4.301 3.960 -0.000 0.000 0.209 646 G HA3 0.341 4.301 3.960 -0.000 0.000 0.209 646 G C 0.621 175.594 174.900 0.122 0.000 1.165 646 G CA 1.070 46.248 45.100 0.130 0.000 0.776 646 G HN 0.750 nan 8.290 nan 0.000 0.541 647 T N -3.198 111.418 114.554 0.104 0.000 2.838 647 T HA 0.654 5.004 4.350 -0.000 0.000 0.292 647 T C -1.245 173.483 174.700 0.048 0.000 1.113 647 T CA -1.031 61.124 62.100 0.093 0.000 1.008 647 T CB 2.979 71.897 68.868 0.084 0.000 1.259 647 T HN -0.061 nan 8.240 nan 0.000 0.520 648 N N -1.035 117.748 118.700 0.138 0.000 2.708 648 N HA 0.671 5.411 4.740 -0.000 0.000 0.257 648 N C -2.013 173.695 175.510 0.330 0.000 1.373 648 N CA -0.447 52.697 53.050 0.156 0.000 0.843 648 N CB 2.518 41.068 38.487 0.105 0.000 1.503 648 N HN 0.694 nan 8.380 nan 0.000 0.504 649 V N 1.140 121.236 119.914 0.304 0.000 2.808 649 V HA 0.505 4.624 4.120 -0.000 0.000 0.308 649 V C -0.210 176.080 176.094 0.327 0.000 1.099 649 V CA -0.858 61.630 62.300 0.313 0.000 0.920 649 V CB 2.185 34.117 31.823 0.180 0.000 1.014 649 V HN 0.605 nan 8.190 nan 0.000 0.425 650 R N 3.708 124.434 120.500 0.377 0.000 2.294 650 R HA 0.710 5.049 4.340 -0.000 0.000 0.319 650 R C -0.594 175.790 176.300 0.140 0.000 0.984 650 R CA -0.533 55.748 56.100 0.302 0.000 0.861 650 R CB 1.061 31.615 30.300 0.424 0.000 1.104 650 R HN 0.789 nan 8.270 nan 0.000 0.451 651 R N 2.562 123.103 120.500 0.069 0.000 2.888 651 R HA 0.282 4.621 4.340 -0.000 0.000 0.266 651 R C -0.864 175.376 176.300 -0.099 0.000 1.020 651 R CA -1.102 54.987 56.100 -0.017 0.000 0.963 651 R CB 1.721 31.996 30.300 -0.041 0.000 1.197 651 R HN 0.438 nan 8.270 nan 0.000 0.481 652 K N 2.342 122.654 120.400 -0.146 0.000 2.412 652 K HA 0.132 4.452 4.320 -0.000 0.000 0.281 652 K C -2.204 174.176 176.600 -0.366 0.000 1.027 652 K CA -1.340 54.821 56.287 -0.210 0.000 0.989 652 K CB 0.497 32.899 32.500 -0.164 0.000 0.935 652 K HN 0.170 nan 8.250 nan 0.000 0.475 653 P HA -0.071 nan 4.420 nan 0.000 0.268 653 P C -0.626 176.378 177.300 -0.493 0.000 1.208 653 P CA 0.183 62.743 63.100 -0.900 0.000 0.777 653 P CB 0.282 31.221 31.700 -1.267 0.000 0.875 654 F N 0.489 120.305 119.950 -0.222 0.000 2.602 654 F HA -0.042 4.485 4.527 0.001 0.000 0.367 654 F C 2.102 177.882 175.800 -0.032 0.000 1.126 654 F CA 0.817 58.802 58.000 -0.024 0.000 1.321 654 F CB 0.003 39.075 39.000 0.120 0.000 1.094 654 F HN 0.303 nan 8.300 nan 0.000 0.594 655 S N 2.286 118.112 115.700 0.209 0.000 2.387 655 S HA -0.118 4.352 4.470 -0.000 0.000 0.226 655 S C 0.477 175.139 174.600 0.103 0.000 1.026 655 S CA 0.117 58.380 58.200 0.105 0.000 0.972 655 S CB -0.265 62.986 63.200 0.085 0.000 0.814 655 S HN 0.453 nan 8.310 nan 0.000 0.477 656 F N 3.562 123.534 119.950 0.037 0.000 2.578 656 F HA 0.127 4.652 4.527 -0.002 0.000 0.376 656 F C 0.235 175.944 175.800 -0.151 0.000 1.085 656 F CA -0.299 57.658 58.000 -0.072 0.000 1.260 656 F CB 0.485 39.433 39.000 -0.086 0.000 1.095 656 F HN -0.196 nan 8.300 nan 0.000 0.573 657 K N 8.461 128.388 120.400 -0.789 0.000 2.258 657 K HA -0.028 4.292 4.320 -0.000 0.000 0.284 657 K C 1.026 177.081 176.600 -0.908 0.000 1.051 657 K CA -0.392 55.247 56.287 -1.080 0.000 0.923 657 K CB 0.575 31.915 32.500 -1.933 0.000 1.046 657 K HN 0.892 nan 8.250 nan 0.000 0.474 658 W N 3.388 124.474 121.300 -0.356 0.000 2.350 658 W HA -0.220 4.440 4.660 -0.000 0.000 0.289 658 W C 1.055 177.748 176.519 0.291 0.000 1.215 658 W CA 0.778 58.190 57.345 0.111 0.000 1.236 658 W CB -0.958 28.623 29.460 0.202 0.000 1.130 658 W HN 0.758 nan 8.180 nan 0.000 0.541 659 W N 2.372 123.330 121.300 -0.570 0.000 2.525 659 W HA 0.021 4.680 4.660 -0.002 0.000 0.259 659 W C 1.214 177.746 176.519 0.022 0.000 1.253 659 W CA 1.054 58.115 57.345 -0.474 0.000 1.262 659 W CB -1.790 27.067 29.460 -1.004 0.000 1.122 659 W HN -0.267 nan 8.180 nan 0.000 0.607 660 N N 0.710 119.272 118.700 -0.230 0.000 2.461 660 N HA 0.009 4.748 4.740 -0.000 0.000 0.188 660 N C 0.445 176.104 175.510 0.249 0.000 1.134 660 N CA 0.444 53.441 53.050 -0.088 0.000 0.878 660 N CB -0.321 37.838 38.487 -0.547 0.000 0.972 660 N HN 0.323 nan 8.380 nan 0.000 0.456 661 M N 0.998 120.880 119.600 0.470 0.000 2.228 661 M HA 0.112 4.592 4.480 -0.000 0.000 0.326 661 M C -0.084 176.380 176.300 0.272 0.000 1.122 661 M CA -0.342 55.188 55.300 0.382 0.000 1.161 661 M CB 1.035 33.831 32.600 0.327 0.000 1.437 661 M HN -0.098 nan 8.290 nan 0.000 0.465 662 V N 2.828 122.762 119.914 0.034 0.000 2.235 662 V HA 0.531 4.651 4.120 -0.000 0.000 0.266 662 V C -2.471 173.440 176.094 -0.305 0.000 1.055 662 V CA -1.589 60.649 62.300 -0.103 0.000 0.844 662 V CB -0.737 31.075 31.823 -0.018 0.000 1.097 662 V HN 0.726 nan 8.190 nan 0.000 0.453 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.823 63.100 -0.462 0.000 0.800 663 P CB 0.000 31.318 31.700 -0.636 0.000 0.726