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 3edf_1_B DATA FIRST_RESID 3 DATA SEQUENCE PTAIEHMEPP FWWAGMQHKG LQLMVHGRDI GRMEAALDYP GVRLVSPTRV DATA SEQUENCE PNANYLFVDL EIGPEAQPGS FDIVFKGDGR SERYRYRLLA REQGSAQRQG DATA SEQUENCE FGPGDAIYQI MPDRFANGDP SNDNVAGMRE QADRRHGGGR HGGDIRGTID DATA SEQUENCE HLDYIAGLGF TQLWPTPLVE NDAAAYSYHG YAATDHYRID PRYGSNEDFV DATA SEQUENCE RLSTEARKRG MGLIQDVVLS HIGKHHWWMK DLPTPDWINY GGKFVPTQHH DATA SEQUENCE RVAVQDPYAA QADSENFTKG WFVEGMPDLN QTNPLVANYL IQNNIWWIEY DATA SEQUENCE AGLSGLRIDT YGYSDGAFLT EYTRRLMAEY PRLNMVGQEW STRVPVVARW DATA SEQUENCE QRGKANFDGY TSHLPSLMDF PLVDAMRNAL SKTGEENGLN EVYETLSLDY DATA SEQUENCE LYPEPQNLVL FGGNHDMARM FSAAGEDFDR WRMNLVFLMT MPRIPQFYSG DATA SEQUENCE DEILMTSTVK GRDDASYRRD FPGGWAGDKA NAFSGAGLTS QQRAAQDLVR DATA SEQUENCE KLANWRKNQP VIHNGRLMHF GPEENTWVYF RYNKDKRIMV AMNNNDKPMT DATA SEQUENCE LPTARFQEML KGAPSGVDFL SGKTVGLGRE LRLAPKSVVV IELPGLP 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.192 177.300 -0.180 0.000 1.155 3 P CA 0.000 62.978 63.100 -0.204 0.000 0.800 3 P CB 0.000 31.480 31.700 -0.366 0.000 0.726 4 T N -0.831 113.612 114.554 -0.185 0.000 2.801 4 T HA 0.637 4.987 4.350 -0.000 0.000 0.306 4 T C 0.646 175.247 174.700 -0.164 0.000 1.020 4 T CA 0.233 62.243 62.100 -0.150 0.000 0.948 4 T CB 0.999 69.793 68.868 -0.122 0.000 0.962 4 T HN 0.878 nan 8.240 nan 0.000 0.465 5 A N 4.339 127.070 122.820 -0.149 0.000 5.123 5 A HA -0.251 4.069 4.320 -0.000 0.000 0.337 5 A C 0.308 177.760 177.584 -0.219 0.000 1.775 5 A CA 1.134 53.082 52.037 -0.148 0.000 0.704 5 A CB -1.879 17.062 19.000 -0.097 0.000 1.426 5 A HN 0.849 nan 8.150 nan 0.000 0.391 6 I N 0.796 121.245 120.570 -0.202 0.000 2.307 6 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 6 I C 1.168 177.133 176.117 -0.254 0.000 1.021 6 I CA 0.354 61.498 61.300 -0.259 0.000 1.224 6 I CB 1.462 39.332 38.000 -0.217 0.000 1.376 6 I HN 0.768 nan 8.210 nan 0.000 0.470 7 E N 5.244 125.233 120.200 -0.351 0.000 2.060 7 E HA 0.011 4.361 4.350 -0.000 0.000 0.189 7 E C -0.005 176.250 176.600 -0.576 0.000 0.974 7 E CA 0.826 56.955 56.400 -0.452 0.000 0.808 7 E CB 0.452 29.855 29.700 -0.495 0.000 0.768 7 E HN 0.523 nan 8.360 nan 0.000 0.453 8 H N -0.460 118.495 119.070 -0.193 0.000 2.679 8 H HA 0.351 4.907 4.556 -0.000 0.000 0.360 8 H C -1.170 174.060 175.328 -0.162 0.000 1.105 8 H CA -0.802 55.145 56.048 -0.168 0.000 1.196 8 H CB 1.659 31.323 29.762 -0.164 0.000 1.636 8 H HN 0.081 nan 8.280 nan 0.000 0.531 9 M N 2.755 122.285 119.600 -0.115 0.000 2.142 9 M HA 0.296 4.776 4.480 -0.000 0.000 0.299 9 M C -1.424 174.701 176.300 -0.292 0.000 0.960 9 M CA -0.069 55.057 55.300 -0.289 0.000 0.920 9 M CB 1.179 33.342 32.600 -0.728 0.000 1.541 9 M HN 0.527 nan 8.290 nan 0.000 0.429 10 E N 6.497 126.550 120.200 -0.244 0.000 2.260 10 E HA 0.484 4.833 4.350 -0.000 0.000 0.266 10 E C -2.677 173.751 176.600 -0.287 0.000 0.887 10 E CA -1.997 54.116 56.400 -0.478 0.000 0.777 10 E CB 1.975 31.539 29.700 -0.227 0.000 1.205 10 E HN 0.431 nan 8.360 nan 0.000 0.414 11 P HA 0.056 nan 4.420 nan 0.000 0.272 11 P C -2.127 174.906 177.300 -0.444 0.000 1.223 11 P CA -1.300 61.395 63.100 -0.676 0.000 0.784 11 P CB 0.548 32.171 31.700 -0.128 0.000 0.923 12 P HA 0.006 nan 4.420 nan 0.000 0.225 12 P C -0.074 177.124 177.300 -0.169 0.000 1.156 12 P CA 1.179 64.109 63.100 -0.283 0.000 0.787 12 P CB -0.057 31.491 31.700 -0.253 0.000 0.802 13 F N -4.820 115.019 119.950 -0.186 0.000 2.817 13 F HA 0.687 5.214 4.527 -0.000 0.000 0.317 13 F C -1.004 174.864 175.800 0.113 0.000 1.168 13 F CA -1.521 56.206 58.000 -0.454 0.000 0.911 13 F CB 0.594 39.324 39.000 -0.450 0.000 1.337 13 F HN -0.161 nan 8.300 nan 0.000 0.464 14 W N 0.179 121.452 121.300 -0.044 0.000 3.305 14 W HA 0.518 5.177 4.660 -0.000 0.000 0.398 14 W C -1.955 174.417 176.519 -0.245 0.000 1.077 14 W CA -0.913 56.432 57.345 0.001 0.000 1.137 14 W CB 1.848 31.572 29.460 0.440 0.000 1.501 14 W HN 0.568 nan 8.180 nan 0.000 0.612 15 W N 1.551 122.921 121.300 0.117 0.000 2.915 15 W HA 0.540 5.200 4.660 -0.000 0.000 0.337 15 W C -0.179 176.441 176.519 0.169 0.000 1.102 15 W CA -0.845 56.529 57.345 0.048 0.000 1.224 15 W CB 1.504 30.861 29.460 -0.170 0.000 1.416 15 W HN 0.385 nan 8.180 nan 0.000 0.503 16 A N 0.807 123.846 122.820 0.365 0.000 2.407 16 A HA 0.552 4.872 4.320 -0.000 0.000 0.248 16 A C 0.973 178.706 177.584 0.248 0.000 1.082 16 A CA 0.963 53.184 52.037 0.306 0.000 0.785 16 A CB -0.077 19.075 19.000 0.254 0.000 1.020 16 A HN 1.544 nan 8.150 nan 0.000 0.489 17 G N 0.538 109.459 108.800 0.202 0.000 2.149 17 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.235 17 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.235 17 G C 0.118 175.075 174.900 0.094 0.000 1.018 17 G CA 0.313 45.491 45.100 0.131 0.000 0.728 17 G HN 0.555 nan 8.290 nan 0.000 0.508 18 M N -0.619 119.063 119.600 0.136 0.000 2.227 18 M HA 0.352 4.832 4.480 -0.000 0.000 0.316 18 M C 1.489 177.839 176.300 0.083 0.000 1.144 18 M CA -0.374 54.975 55.300 0.082 0.000 1.121 18 M CB 0.833 33.547 32.600 0.190 0.000 1.440 18 M HN 0.191 nan 8.290 nan 0.000 0.473 19 Q N 0.868 120.685 119.800 0.028 0.000 2.046 19 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 19 Q C 0.157 176.218 176.000 0.101 0.000 0.975 19 Q CA 1.687 57.508 55.803 0.030 0.000 0.836 19 Q CB -0.156 28.562 28.738 -0.034 0.000 0.896 19 Q HN 0.632 nan 8.270 nan 0.000 0.428 20 H N 0.551 119.661 119.070 0.067 0.000 2.742 20 H HA 0.131 4.687 4.556 -0.000 0.000 0.302 20 H C 0.418 175.840 175.328 0.157 0.000 1.069 20 H CA -0.181 55.925 56.048 0.096 0.000 1.446 20 H CB 0.737 30.564 29.762 0.109 0.000 1.462 20 H HN -0.011 nan 8.280 nan 0.000 0.499 21 K N 3.331 123.660 120.400 -0.118 0.000 2.167 21 K HA 0.064 4.384 4.320 -0.000 0.000 0.203 21 K C 1.010 177.632 176.600 0.038 0.000 1.052 21 K CA 0.683 56.976 56.287 0.009 0.000 0.956 21 K CB -0.156 32.323 32.500 -0.035 0.000 0.735 21 K HN 0.737 nan 8.250 nan 0.000 0.451 22 G N 2.034 110.771 108.800 -0.105 0.000 2.398 22 G HA2 0.286 4.245 3.960 -0.000 0.000 0.246 22 G HA3 0.286 4.245 3.960 -0.000 0.000 0.246 22 G C -0.834 174.163 174.900 0.162 0.000 1.289 22 G CA -0.240 44.890 45.100 0.051 0.000 0.869 22 G HN 0.135 nan 8.290 nan 0.000 0.543 23 L N 1.178 122.407 121.223 0.009 0.000 2.409 23 L HA 0.519 4.859 4.340 -0.000 0.000 0.272 23 L C -0.412 176.381 176.870 -0.128 0.000 0.980 23 L CA -0.713 54.017 54.840 -0.185 0.000 0.826 23 L CB 2.309 44.154 42.059 -0.357 0.000 1.268 23 L HN 0.584 nan 8.230 nan 0.000 0.407 24 Q N 5.034 124.763 119.800 -0.118 0.000 2.368 24 Q HA 0.563 4.903 4.340 -0.000 0.000 0.263 24 Q C -1.656 174.337 176.000 -0.010 0.000 1.009 24 Q CA -0.588 55.216 55.803 0.000 0.000 0.818 24 Q CB 1.112 29.912 28.738 0.105 0.000 1.239 24 Q HN 0.770 nan 8.270 nan 0.000 0.464 25 L N 4.117 125.326 121.223 -0.024 0.000 2.305 25 L HA 0.426 4.766 4.340 -0.000 0.000 0.281 25 L C 0.053 176.925 176.870 0.003 0.000 1.085 25 L CA -0.248 54.563 54.840 -0.048 0.000 0.813 25 L CB 0.953 42.938 42.059 -0.123 0.000 1.157 25 L HN 0.621 nan 8.230 nan 0.000 0.436 26 M N 4.728 124.322 119.600 -0.011 0.000 2.061 26 M HA 0.451 4.931 4.480 -0.000 0.000 0.346 26 M C -1.371 174.847 176.300 -0.136 0.000 1.112 26 M CA -0.510 54.685 55.300 -0.176 0.000 1.021 26 M CB 1.055 33.702 32.600 0.080 0.000 1.530 26 M HN 0.339 nan 8.290 nan 0.000 0.437 27 V N 4.977 124.749 119.914 -0.238 0.000 2.435 27 V HA 0.452 4.572 4.120 -0.000 0.000 0.290 27 V C -0.436 175.570 176.094 -0.147 0.000 1.030 27 V CA -0.667 61.513 62.300 -0.200 0.000 0.881 27 V CB 1.453 33.099 31.823 -0.294 0.000 0.983 27 V HN 0.777 nan 8.190 nan 0.000 0.445 28 H N 2.836 121.769 119.070 -0.228 0.000 2.609 28 H HA 0.761 5.317 4.556 -0.000 0.000 0.344 28 H C -0.351 174.784 175.328 -0.322 0.000 1.040 28 H CA 0.094 55.955 56.048 -0.313 0.000 1.216 28 H CB 2.166 31.874 29.762 -0.089 0.000 1.529 28 H HN 0.920 nan 8.280 nan 0.000 0.519 29 G N 3.512 111.783 108.800 -0.881 0.000 2.411 29 G HA2 0.163 4.123 3.960 -0.000 0.000 0.295 29 G HA3 0.163 4.123 3.960 -0.000 0.000 0.295 29 G C -1.311 173.280 174.900 -0.516 0.000 1.542 29 G CA -1.209 43.466 45.100 -0.709 0.000 0.814 29 G HN 0.814 nan 8.290 nan 0.000 0.557 30 R N 0.766 121.044 120.500 -0.370 0.000 2.458 30 R HA 0.377 4.717 4.340 -0.000 0.000 0.303 30 R C -0.283 175.914 176.300 -0.172 0.000 1.013 30 R CA 0.695 56.658 56.100 -0.228 0.000 1.026 30 R CB 0.236 30.443 30.300 -0.155 0.000 0.948 30 R HN 0.413 nan 8.270 nan 0.000 0.417 31 D N 1.542 121.864 120.400 -0.129 0.000 3.059 31 D HA -0.219 4.421 4.640 -0.000 0.000 0.220 31 D C 0.600 176.848 176.300 -0.087 0.000 1.169 31 D CA 1.262 55.214 54.000 -0.080 0.000 0.902 31 D CB -0.759 40.009 40.800 -0.053 0.000 1.116 31 D HN 0.691 nan 8.370 nan 0.000 0.417 32 I N 0.516 120.996 120.570 -0.151 0.000 2.454 32 I HA -0.079 4.091 4.170 -0.000 0.000 0.254 32 I C 2.413 178.490 176.117 -0.066 0.000 1.156 32 I CA 2.067 63.267 61.300 -0.166 0.000 1.433 32 I CB -0.104 37.708 38.000 -0.313 0.000 1.082 32 I HN 0.198 nan 8.210 nan 0.000 0.432 33 G N -0.251 108.530 108.800 -0.031 0.000 2.471 33 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 33 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 33 G C 1.711 176.643 174.900 0.052 0.000 1.125 33 G CA 0.193 45.317 45.100 0.041 0.000 0.775 33 G HN 0.353 nan 8.290 nan 0.000 0.548 34 R N -0.753 119.766 120.500 0.030 0.000 2.313 34 R HA 0.307 4.646 4.340 -0.000 0.000 0.199 34 R C 0.586 176.917 176.300 0.050 0.000 0.958 34 R CA -0.012 56.109 56.100 0.036 0.000 1.047 34 R CB 0.024 30.336 30.300 0.019 0.000 0.955 34 R HN 0.351 nan 8.270 nan 0.000 0.481 35 M N -0.356 119.288 119.600 0.074 0.000 2.762 35 M HA 0.250 4.730 4.480 -0.000 0.000 0.306 35 M C -0.436 175.946 176.300 0.137 0.000 1.223 35 M CA -0.580 54.788 55.300 0.113 0.000 0.896 35 M CB 2.165 34.860 32.600 0.159 0.000 1.684 35 M HN -0.158 nan 8.290 nan 0.000 0.491 36 E N 0.686 120.957 120.200 0.118 0.000 2.187 36 E HA 0.620 4.970 4.350 -0.000 0.000 0.268 36 E C -1.478 175.131 176.600 0.015 0.000 0.896 36 E CA -0.615 55.828 56.400 0.072 0.000 0.766 36 E CB 1.805 31.527 29.700 0.037 0.000 1.142 36 E HN 0.739 nan 8.360 nan 0.000 0.408 37 A N 2.768 125.551 122.820 -0.062 0.000 2.340 37 A HA 0.747 5.067 4.320 -0.000 0.000 0.268 37 A C -0.644 176.817 177.584 -0.206 0.000 1.100 37 A CA 0.092 51.936 52.037 -0.321 0.000 0.803 37 A CB 1.004 19.783 19.000 -0.370 0.000 1.043 37 A HN 0.618 nan 8.150 nan 0.000 0.488 38 A N 1.032 123.708 122.820 -0.241 0.000 2.549 38 A HA 0.742 5.062 4.320 -0.000 0.000 0.297 38 A C -0.968 176.558 177.584 -0.097 0.000 1.061 38 A CA -0.367 51.595 52.037 -0.124 0.000 0.690 38 A CB 1.032 19.987 19.000 -0.074 0.000 1.287 38 A HN 2.135 nan 8.150 nan 0.000 0.402 39 L N -1.448 119.747 121.223 -0.047 0.000 2.568 39 L HA 0.988 5.328 4.340 -0.000 0.000 0.257 39 L C -1.335 175.530 176.870 -0.008 0.000 1.024 39 L CA -0.564 54.281 54.840 0.009 0.000 0.854 39 L CB 2.098 44.180 42.059 0.038 0.000 1.460 39 L HN 0.433 nan 8.230 nan 0.000 0.409 40 D N 0.149 120.566 120.400 0.028 0.000 2.375 40 D HA 0.457 5.097 4.640 -0.000 0.000 0.241 40 D C -2.196 174.146 176.300 0.069 0.000 1.361 40 D CA 0.165 54.175 54.000 0.016 0.000 0.995 40 D CB 1.033 41.849 40.800 0.027 0.000 1.312 40 D HN 0.636 nan 8.370 nan 0.000 0.576 41 Y N 2.927 123.102 120.300 -0.209 0.000 2.441 41 Y HA 0.471 5.021 4.550 -0.000 0.000 0.334 41 Y C -2.568 173.227 175.900 -0.175 0.000 1.061 41 Y CA -1.982 55.987 58.100 -0.218 0.000 1.032 41 Y CB 2.078 40.224 38.460 -0.524 0.000 1.266 41 Y HN 0.154 nan 8.280 nan 0.000 0.441 42 P HA 0.253 nan 4.420 nan 0.000 0.263 42 P C 0.480 177.648 177.300 -0.219 0.000 1.195 42 P CA 1.874 64.785 63.100 -0.315 0.000 0.762 42 P CB 0.695 32.186 31.700 -0.348 0.000 0.799 43 G N 1.530 110.273 108.800 -0.096 0.000 2.195 43 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.246 43 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.246 43 G C -0.063 174.842 174.900 0.009 0.000 0.984 43 G CA -0.143 44.944 45.100 -0.022 0.000 0.633 43 G HN 0.536 nan 8.290 nan 0.000 0.525 44 V N 1.391 121.293 119.914 -0.020 0.000 2.384 44 V HA 0.669 4.789 4.120 -0.000 0.000 0.287 44 V C 0.457 176.499 176.094 -0.085 0.000 1.020 44 V CA -0.690 61.575 62.300 -0.058 0.000 0.850 44 V CB 1.560 33.263 31.823 -0.201 0.000 0.987 44 V HN 0.472 nan 8.190 nan 0.000 0.436 45 R N 4.613 125.080 120.500 -0.056 0.000 2.445 45 R HA 0.590 4.930 4.340 -0.000 0.000 0.308 45 R C -1.186 175.085 176.300 -0.048 0.000 0.961 45 R CA -0.687 55.384 56.100 -0.049 0.000 0.862 45 R CB 1.400 31.681 30.300 -0.030 0.000 1.144 45 R HN 0.705 nan 8.270 nan 0.000 0.447 46 L N 5.782 126.976 121.223 -0.049 0.000 2.305 46 L HA 0.230 4.570 4.340 -0.000 0.000 0.281 46 L C 0.408 177.264 176.870 -0.023 0.000 1.085 46 L CA -0.426 54.390 54.840 -0.040 0.000 0.813 46 L CB 1.575 43.605 42.059 -0.048 0.000 1.157 46 L HN 0.633 nan 8.230 nan 0.000 0.436 47 V N 3.425 123.333 119.914 -0.011 0.000 4.510 47 V HA 0.095 4.215 4.120 -0.000 0.000 0.153 47 V C 0.399 176.495 176.094 0.003 0.000 1.194 47 V CA -0.075 62.224 62.300 -0.001 0.000 1.217 47 V CB 0.747 32.575 31.823 0.008 0.000 1.157 47 V HN 0.803 nan 8.190 nan 0.000 0.363 48 S N 0.162 115.869 115.700 0.013 0.000 2.647 48 S HA 0.545 5.015 4.470 -0.000 0.000 0.300 48 S C -2.771 171.846 174.600 0.028 0.000 1.129 48 S CA -1.166 57.044 58.200 0.016 0.000 1.029 48 S CB 1.153 64.360 63.200 0.012 0.000 1.007 48 S HN 0.473 nan 8.310 nan 0.000 0.484 49 P HA 0.066 nan 4.420 nan 0.000 0.261 49 P C -0.886 176.446 177.300 0.053 0.000 1.165 49 P CA 0.314 63.447 63.100 0.055 0.000 0.759 49 P CB 0.185 31.917 31.700 0.054 0.000 0.772 50 T N 4.400 118.995 114.554 0.068 0.000 2.893 50 T HA 0.318 4.668 4.350 -0.000 0.000 0.324 50 T C 0.234 174.981 174.700 0.080 0.000 1.082 50 T CA -0.705 61.427 62.100 0.053 0.000 0.983 50 T CB 0.440 69.323 68.868 0.025 0.000 1.005 50 T HN 0.208 nan 8.240 nan 0.000 0.475 51 R N 1.633 122.176 120.500 0.073 0.000 2.490 51 R HA 0.543 4.883 4.340 -0.000 0.000 0.280 51 R C 0.362 176.712 176.300 0.083 0.000 1.077 51 R CA -0.657 55.500 56.100 0.095 0.000 1.065 51 R CB 0.665 31.010 30.300 0.075 0.000 1.003 51 R HN 0.511 nan 8.270 nan 0.000 0.470 52 V N 0.480 120.468 119.914 0.124 0.000 2.732 52 V HA 0.393 4.513 4.120 -0.000 0.000 0.310 52 V C -1.558 174.589 176.094 0.088 0.000 1.053 52 V CA -1.684 60.674 62.300 0.096 0.000 0.957 52 V CB 1.528 33.435 31.823 0.140 0.000 1.018 52 V HN 0.734 nan 8.190 nan 0.000 0.452 53 P HA -0.083 nan 4.420 nan 0.000 0.222 53 P C 0.347 177.689 177.300 0.070 0.000 1.147 53 P CA 0.719 63.850 63.100 0.053 0.000 0.790 53 P CB 0.006 31.726 31.700 0.033 0.000 0.780 54 N N 0.723 119.479 118.700 0.093 0.000 2.405 54 N HA 0.158 4.898 4.740 -0.000 0.000 0.260 54 N C 1.161 176.768 175.510 0.162 0.000 1.152 54 N CA 0.191 53.324 53.050 0.139 0.000 0.948 54 N CB 0.995 39.592 38.487 0.185 0.000 1.111 54 N HN -0.099 nan 8.380 nan 0.000 0.485 55 A N 4.153 127.036 122.820 0.105 0.000 2.131 55 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 55 A C 1.313 178.910 177.584 0.022 0.000 1.158 55 A CA 1.117 53.190 52.037 0.060 0.000 0.665 55 A CB -0.099 18.920 19.000 0.032 0.000 0.795 55 A HN 0.711 nan 8.150 nan 0.000 0.460 56 N N -1.593 117.132 118.700 0.041 0.000 2.280 56 N HA 0.175 4.915 4.740 -0.000 0.000 0.192 56 N C -1.047 174.236 175.510 -0.378 0.000 1.109 56 N CA 0.340 53.292 53.050 -0.163 0.000 0.855 56 N CB 0.157 38.547 38.487 -0.163 0.000 0.974 56 N HN 0.566 nan 8.380 nan 0.000 0.482 57 Y N -0.235 120.062 120.300 -0.005 0.000 2.512 57 Y HA 0.552 5.102 4.550 -0.000 0.000 0.348 57 Y C -0.633 175.212 175.900 -0.093 0.000 0.990 57 Y CA -1.131 56.920 58.100 -0.081 0.000 1.033 57 Y CB 2.113 40.499 38.460 -0.122 0.000 1.259 57 Y HN -0.230 nan 8.280 nan 0.000 0.461 58 L N 3.097 124.282 121.223 -0.064 0.000 2.436 58 L HA 0.642 4.981 4.340 -0.000 0.000 0.268 58 L C -2.044 174.746 176.870 -0.134 0.000 0.974 58 L CA -0.724 54.121 54.840 0.009 0.000 0.826 58 L CB 1.020 43.102 42.059 0.039 0.000 1.291 58 L HN 0.436 nan 8.230 nan 0.000 0.406 59 F N 4.635 124.650 119.950 0.108 0.000 2.427 59 F HA 0.644 5.171 4.527 -0.000 0.000 0.346 59 F C -0.068 175.782 175.800 0.084 0.000 1.120 59 F CA -0.705 57.352 58.000 0.097 0.000 1.033 59 F CB 1.828 40.879 39.000 0.086 0.000 1.126 59 F HN 0.087 nan 8.300 nan 0.000 0.462 60 V N 3.356 123.388 119.914 0.198 0.000 2.378 60 V HA 0.312 4.432 4.120 -0.000 0.000 0.288 60 V C -0.728 175.409 176.094 0.071 0.000 1.016 60 V CA -0.949 61.423 62.300 0.119 0.000 0.840 60 V CB 1.494 33.374 31.823 0.095 0.000 0.994 60 V HN 0.557 nan 8.190 nan 0.000 0.431 61 D N 5.084 125.520 120.400 0.060 0.000 2.232 61 D HA 0.595 5.235 4.640 -0.000 0.000 0.242 61 D C -0.590 175.710 176.300 -0.000 0.000 1.093 61 D CA -0.210 53.811 54.000 0.034 0.000 0.845 61 D CB 2.447 43.275 40.800 0.046 0.000 1.124 61 D HN 0.170 nan 8.370 nan 0.000 0.467 62 L N 2.007 123.218 121.223 -0.020 0.000 2.333 62 L HA 0.333 4.673 4.340 -0.000 0.000 0.269 62 L C 0.225 177.090 176.870 -0.008 0.000 1.010 62 L CA -0.699 54.125 54.840 -0.028 0.000 0.818 62 L CB 1.652 43.681 42.059 -0.050 0.000 1.306 62 L HN 0.115 nan 8.230 nan 0.000 0.430 63 E N 2.983 123.180 120.200 -0.006 0.000 2.185 63 E HA 0.437 4.787 4.350 -0.000 0.000 0.261 63 E C -0.977 175.641 176.600 0.029 0.000 0.879 63 E CA -0.168 56.235 56.400 0.005 0.000 0.756 63 E CB 2.157 31.850 29.700 -0.012 0.000 1.152 63 E HN 0.404 nan 8.360 nan 0.000 0.416 64 I N 2.337 122.952 120.570 0.075 0.000 2.307 64 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 64 I C 1.029 177.212 176.117 0.109 0.000 1.054 64 I CA -0.562 60.813 61.300 0.126 0.000 1.218 64 I CB 1.145 39.287 38.000 0.237 0.000 1.398 64 I HN 0.369 nan 8.210 nan 0.000 0.475 65 G N 6.928 115.773 108.800 0.074 0.000 2.594 65 G HA2 0.179 4.139 3.960 -0.000 0.000 0.243 65 G HA3 0.179 4.139 3.960 -0.000 0.000 0.243 65 G C -1.281 173.665 174.900 0.076 0.000 1.229 65 G CA -0.870 44.262 45.100 0.054 0.000 0.843 65 G HN 0.438 nan 8.290 nan 0.000 0.578 66 P HA -0.116 nan 4.420 nan 0.000 0.222 66 P C 1.310 178.647 177.300 0.063 0.000 1.147 66 P CA 1.118 64.257 63.100 0.065 0.000 0.790 66 P CB 0.262 31.987 31.700 0.042 0.000 0.780 67 E N 0.483 120.711 120.200 0.047 0.000 2.358 67 E HA 0.000 4.350 4.350 -0.000 0.000 0.195 67 E C 0.697 177.324 176.600 0.044 0.000 1.010 67 E CA 0.014 56.434 56.400 0.033 0.000 0.856 67 E CB -0.734 28.970 29.700 0.007 0.000 0.795 67 E HN 0.037 nan 8.360 nan 0.000 0.504 68 A N 2.360 125.230 122.820 0.083 0.000 2.548 68 A HA 0.030 4.350 4.320 -0.000 0.000 0.247 68 A C 0.240 177.936 177.584 0.187 0.000 1.067 68 A CA -0.014 52.113 52.037 0.150 0.000 0.757 68 A CB 0.191 19.335 19.000 0.239 0.000 0.996 68 A HN 0.152 nan 8.150 nan 0.000 0.504 69 Q N 1.625 121.545 119.800 0.200 0.000 2.205 69 Q HA 0.416 4.756 4.340 -0.000 0.000 0.249 69 Q C -2.416 173.767 176.000 0.306 0.000 0.948 69 Q CA -2.051 53.871 55.803 0.200 0.000 0.895 69 Q CB 0.318 29.130 28.738 0.124 0.000 1.249 69 Q HN 0.478 nan 8.270 nan 0.000 0.458 70 P HA 0.265 nan 4.420 nan 0.000 0.266 70 P C -0.264 177.176 177.300 0.234 0.000 1.195 70 P CA 0.358 63.580 63.100 0.205 0.000 0.768 70 P CB 0.523 32.305 31.700 0.137 0.000 0.838 71 G N 0.588 109.506 108.800 0.197 0.000 2.344 71 G HA2 0.437 4.397 3.960 -0.000 0.000 0.282 71 G HA3 0.437 4.397 3.960 -0.000 0.000 0.282 71 G C -1.566 173.340 174.900 0.010 0.000 1.281 71 G CA -0.442 44.765 45.100 0.179 0.000 0.877 71 G HN 0.420 nan 8.290 nan 0.000 0.494 72 S N -1.003 114.686 115.700 -0.018 0.000 2.595 72 S HA 0.901 5.371 4.470 -0.000 0.000 0.281 72 S C -1.292 173.248 174.600 -0.098 0.000 1.117 72 S CA -0.495 57.592 58.200 -0.188 0.000 0.873 72 S CB 1.695 64.796 63.200 -0.164 0.000 1.108 72 S HN 1.436 nan 8.310 nan 0.000 0.477 73 F N -1.212 118.634 119.950 -0.174 0.000 2.641 73 F HA 0.602 5.129 4.527 -0.000 0.000 0.308 73 F C -1.275 174.539 175.800 0.024 0.000 1.105 73 F CA -1.089 56.871 58.000 -0.066 0.000 0.964 73 F CB 0.674 39.595 39.000 -0.132 0.000 1.294 73 F HN 0.244 nan 8.300 nan 0.000 0.442 74 D N 3.169 123.679 120.400 0.183 0.000 2.351 74 D HA 0.358 4.998 4.640 -0.000 0.000 0.251 74 D C -0.005 176.420 176.300 0.208 0.000 1.137 74 D CA 0.333 54.411 54.000 0.130 0.000 0.879 74 D CB 1.725 42.582 40.800 0.096 0.000 1.181 74 D HN 0.525 nan 8.370 nan 0.000 0.448 75 I N 2.167 122.839 120.570 0.170 0.000 2.304 75 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 75 I C -0.037 176.014 176.117 -0.110 0.000 1.018 75 I CA -0.800 60.512 61.300 0.020 0.000 1.260 75 I CB 1.320 39.317 38.000 -0.005 0.000 1.390 75 I HN -0.110 nan 8.210 nan 0.000 0.475 76 V N 7.035 126.815 119.914 -0.224 0.000 2.427 76 V HA 0.379 4.499 4.120 -0.000 0.000 0.286 76 V C -0.496 175.392 176.094 -0.344 0.000 1.034 76 V CA -0.478 61.742 62.300 -0.135 0.000 0.893 76 V CB 1.348 33.153 31.823 -0.031 0.000 0.982 76 V HN 0.367 nan 8.190 nan 0.000 0.452 77 F N 3.724 123.695 119.950 0.035 0.000 2.403 77 F HA 0.570 5.097 4.527 -0.000 0.000 0.355 77 F C 0.399 176.206 175.800 0.011 0.000 1.119 77 F CA -0.645 57.366 58.000 0.018 0.000 1.007 77 F CB 1.309 40.312 39.000 0.005 0.000 1.194 77 F HN 0.284 nan 8.300 nan 0.000 0.443 78 K N 2.374 122.856 120.400 0.136 0.000 2.270 78 K HA 0.888 5.207 4.320 -0.000 0.000 0.255 78 K C -0.244 176.401 176.600 0.075 0.000 0.936 78 K CA -1.060 55.278 56.287 0.085 0.000 0.809 78 K CB 2.487 35.013 32.500 0.044 0.000 1.131 78 K HN 0.831 nan 8.250 nan 0.000 0.427 79 G N 1.012 109.847 108.800 0.058 0.000 2.442 79 G HA2 0.183 4.142 3.960 -0.000 0.000 0.296 79 G HA3 0.183 4.142 3.960 -0.000 0.000 0.296 79 G C -1.140 173.777 174.900 0.029 0.000 1.564 79 G CA -0.799 44.326 45.100 0.043 0.000 0.828 79 G HN 0.618 nan 8.290 nan 0.000 0.571 80 D N -0.614 119.800 120.400 0.022 0.000 2.837 80 D HA -0.206 4.434 4.640 -0.000 0.000 0.230 80 D C 1.578 177.885 176.300 0.012 0.000 1.152 80 D CA 2.641 56.650 54.000 0.015 0.000 0.736 80 D CB -1.150 39.656 40.800 0.010 0.000 1.084 80 D HN 2.301 nan 8.370 nan 0.000 0.429 81 G N 0.074 108.883 108.800 0.015 0.000 2.148 81 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.254 81 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.254 81 G C 0.298 175.206 174.900 0.014 0.000 0.981 81 G CA 0.906 46.013 45.100 0.013 0.000 0.670 81 G HN 0.803 nan 8.290 nan 0.000 0.528 82 R N -1.112 119.399 120.500 0.018 0.000 2.888 82 R HA 0.842 5.182 4.340 -0.000 0.000 0.266 82 R C -0.265 176.057 176.300 0.037 0.000 1.020 82 R CA -0.233 55.879 56.100 0.021 0.000 0.963 82 R CB 1.611 31.918 30.300 0.011 0.000 1.197 82 R HN 0.690 nan 8.270 nan 0.000 0.481 83 S N 0.183 115.908 115.700 0.042 0.000 2.541 83 S HA 0.552 5.022 4.470 -0.000 0.000 0.280 83 S C -0.961 173.687 174.600 0.080 0.000 1.112 83 S CA -1.063 57.178 58.200 0.069 0.000 0.925 83 S CB 2.109 65.344 63.200 0.057 0.000 1.067 83 S HN 0.604 nan 8.310 nan 0.000 0.479 84 E N 1.341 121.626 120.200 0.141 0.000 2.288 84 E HA 0.531 4.881 4.350 -0.000 0.000 0.268 84 E C -0.793 175.969 176.600 0.271 0.000 0.885 84 E CA -0.677 55.811 56.400 0.148 0.000 0.767 84 E CB 2.386 32.131 29.700 0.075 0.000 1.220 84 E HN 0.656 nan 8.360 nan 0.000 0.427 85 R N 0.975 121.602 120.500 0.212 0.000 2.778 85 R HA 0.531 4.871 4.340 -0.000 0.000 0.277 85 R C -1.144 175.338 176.300 0.303 0.000 0.977 85 R CA -0.887 55.359 56.100 0.242 0.000 0.950 85 R CB 1.844 32.214 30.300 0.117 0.000 1.165 85 R HN 0.491 nan 8.270 nan 0.000 0.474 86 Y N 0.983 121.403 120.300 0.199 0.000 2.354 86 Y HA 0.305 4.855 4.550 -0.000 0.000 0.330 86 Y C -0.815 175.122 175.900 0.062 0.000 1.011 86 Y CA -0.942 57.237 58.100 0.132 0.000 1.099 86 Y CB 1.374 39.965 38.460 0.219 0.000 1.179 86 Y HN 0.457 nan 8.280 nan 0.000 0.442 87 R N 5.429 125.765 120.500 -0.273 0.000 2.291 87 R HA 0.168 4.508 4.340 -0.000 0.000 0.333 87 R C -1.647 174.450 176.300 -0.338 0.000 1.082 87 R CA -0.018 55.927 56.100 -0.257 0.000 0.948 87 R CB -0.012 30.134 30.300 -0.256 0.000 1.009 87 R HN 0.714 nan 8.270 nan 0.000 0.460 88 Y N 3.427 123.492 120.300 -0.391 0.000 2.313 88 Y HA 0.284 4.834 4.550 -0.000 0.000 0.332 88 Y C -0.095 175.432 175.900 -0.622 0.000 1.071 88 Y CA -0.335 57.508 58.100 -0.429 0.000 1.169 88 Y CB 0.816 38.907 38.460 -0.615 0.000 1.192 88 Y HN 0.498 nan 8.280 nan 0.000 0.487 89 R N 4.221 124.352 120.500 -0.614 0.000 2.445 89 R HA 0.544 4.884 4.340 -0.000 0.000 0.308 89 R C -2.265 173.940 176.300 -0.158 0.000 0.961 89 R CA -0.569 55.314 56.100 -0.362 0.000 0.862 89 R CB 0.677 30.760 30.300 -0.361 0.000 1.144 89 R HN 0.601 nan 8.270 nan 0.000 0.447 90 L N 5.608 126.824 121.223 -0.011 0.000 2.276 90 L HA 0.416 4.756 4.340 -0.000 0.000 0.286 90 L C -1.083 175.788 176.870 0.002 0.000 1.024 90 L CA -0.584 54.328 54.840 0.119 0.000 0.826 90 L CB 1.151 43.383 42.059 0.288 0.000 1.211 90 L HN 0.586 nan 8.230 nan 0.000 0.422 91 L N 3.008 124.139 121.223 -0.153 0.000 2.395 91 L HA 0.580 4.920 4.340 -0.000 0.000 0.269 91 L C 0.711 177.658 176.870 0.128 0.000 1.133 91 L CA -0.119 54.647 54.840 -0.123 0.000 0.812 91 L CB 0.724 42.567 42.059 -0.359 0.000 1.125 91 L HN 0.690 nan 8.230 nan 0.000 0.452 92 A N 3.510 126.416 122.820 0.144 0.000 2.450 92 A HA 0.355 4.675 4.320 -0.000 0.000 0.255 92 A C 0.407 178.152 177.584 0.268 0.000 1.096 92 A CA -0.411 51.738 52.037 0.186 0.000 0.778 92 A CB -0.054 19.017 19.000 0.118 0.000 1.031 92 A HN 0.624 nan 8.150 nan 0.000 0.494 93 R N 1.837 122.487 120.500 0.251 0.000 2.539 93 R HA 0.139 4.479 4.340 -0.000 0.000 0.275 93 R C -0.194 176.160 176.300 0.090 0.000 1.077 93 R CA -0.431 55.769 56.100 0.166 0.000 1.097 93 R CB 0.542 30.882 30.300 0.067 0.000 1.018 93 R HN 0.722 nan 8.270 nan 0.000 0.483 94 E N 2.366 122.597 120.200 0.051 0.000 2.413 94 E HA -0.054 4.296 4.350 -0.000 0.000 0.263 94 E C 0.115 176.725 176.600 0.017 0.000 1.015 94 E CA 0.052 56.469 56.400 0.029 0.000 0.916 94 E CB 0.487 30.191 29.700 0.007 0.000 0.947 94 E HN 0.197 nan 8.360 nan 0.000 0.440 95 Q N 0.173 119.983 119.800 0.017 0.000 2.286 95 Q HA 0.130 4.470 4.340 -0.000 0.000 0.290 95 Q C 0.999 177.001 176.000 0.004 0.000 1.049 95 Q CA 1.086 56.896 55.803 0.012 0.000 0.923 95 Q CB 0.657 29.401 28.738 0.011 0.000 1.183 95 Q HN 0.855 nan 8.270 nan 0.000 0.383 96 G N 2.284 111.086 108.800 0.004 0.000 2.159 96 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.256 96 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.256 96 G C 1.091 175.995 174.900 0.006 0.000 0.977 96 G CA 0.861 45.962 45.100 0.002 0.000 0.652 96 G HN 0.603 nan 8.290 nan 0.000 0.531 97 S N 0.198 115.901 115.700 0.005 0.000 2.359 97 S HA 0.002 4.472 4.470 -0.000 0.000 0.223 97 S C 2.839 177.492 174.600 0.089 0.000 1.039 97 S CA 2.360 60.570 58.200 0.018 0.000 1.042 97 S CB -0.418 62.771 63.200 -0.019 0.000 0.915 97 S HN 1.716 nan 8.310 nan 0.000 0.439 98 A N 0.540 123.385 122.820 0.040 0.000 1.969 98 A HA -0.003 4.316 4.320 -0.000 0.000 0.218 98 A C 2.063 179.694 177.584 0.079 0.000 1.169 98 A CA 1.215 53.266 52.037 0.023 0.000 0.635 98 A CB -0.445 18.508 19.000 -0.078 0.000 0.810 98 A HN 0.582 nan 8.150 nan 0.000 0.445 99 Q N 0.251 120.076 119.800 0.042 0.000 2.365 99 Q HA -0.001 4.339 4.340 -0.000 0.000 0.203 99 Q C 0.065 176.082 176.000 0.027 0.000 0.929 99 Q CA -0.046 55.774 55.803 0.028 0.000 0.948 99 Q CB -0.209 28.533 28.738 0.006 0.000 1.043 99 Q HN 0.816 nan 8.270 nan 0.000 0.505 100 R N 0.777 121.302 120.500 0.042 0.000 2.500 100 R HA -0.073 4.267 4.340 -0.000 0.000 0.281 100 R C -0.042 176.250 176.300 -0.015 0.000 0.953 100 R CA 0.140 56.240 56.100 -0.001 0.000 1.108 100 R CB 0.006 30.283 30.300 -0.039 0.000 0.901 100 R HN -0.175 nan 8.270 nan 0.000 0.410 101 Q N 2.733 122.519 119.800 -0.024 0.000 2.307 101 Q HA 0.236 4.576 4.340 -0.000 0.000 0.261 101 Q C -0.141 175.833 176.000 -0.043 0.000 1.051 101 Q CA 0.414 56.198 55.803 -0.033 0.000 0.911 101 Q CB 1.121 29.843 28.738 -0.026 0.000 1.227 101 Q HN 0.768 nan 8.270 nan 0.000 0.418 102 G N 3.343 112.094 108.800 -0.081 0.000 2.636 102 G HA2 0.287 4.247 3.960 -0.000 0.000 0.246 102 G HA3 0.287 4.247 3.960 -0.000 0.000 0.246 102 G C -0.494 174.341 174.900 -0.108 0.000 1.216 102 G CA -0.549 44.471 45.100 -0.132 0.000 0.854 102 G HN 0.745 nan 8.290 nan 0.000 0.572 103 F N -0.118 119.809 119.950 -0.038 0.000 2.553 103 F HA 0.575 5.102 4.527 -0.000 0.000 0.356 103 F C 0.616 176.394 175.800 -0.038 0.000 1.142 103 F CA -0.430 57.551 58.000 -0.032 0.000 1.322 103 F CB 0.427 39.418 39.000 -0.015 0.000 1.126 103 F HN 0.641 nan 8.300 nan 0.000 0.599 104 G N 1.585 110.448 108.800 0.104 0.000 2.782 104 G HA2 0.489 4.449 3.960 -0.000 0.000 0.304 104 G HA3 0.489 4.449 3.960 -0.000 0.000 0.304 104 G C -2.773 172.135 174.900 0.013 0.000 1.315 104 G CA -1.268 43.832 45.100 -0.000 0.000 0.791 104 G HN 0.275 nan 8.290 nan 0.000 0.519 105 P HA -0.010 nan 4.420 nan 0.000 0.218 105 P C 1.770 178.939 177.300 -0.218 0.000 1.146 105 P CA 1.734 64.801 63.100 -0.054 0.000 0.813 105 P CB 0.163 31.850 31.700 -0.022 0.000 0.778 106 G N -1.639 106.924 108.800 -0.395 0.000 2.744 106 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.211 106 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.211 106 G C 0.403 175.041 174.900 -0.436 0.000 1.143 106 G CA 0.104 44.658 45.100 -0.910 0.000 0.788 106 G HN 0.218 nan 8.290 nan 0.000 0.534 107 D N 0.037 120.336 120.400 -0.168 0.000 2.340 107 D HA 0.581 5.221 4.640 -0.000 0.000 0.251 107 D C -0.281 176.035 176.300 0.026 0.000 1.080 107 D CA 0.028 54.010 54.000 -0.030 0.000 0.971 107 D CB 1.962 42.810 40.800 0.080 0.000 1.137 107 D HN 0.100 nan 8.370 nan 0.000 0.475 108 A N 1.360 124.236 122.820 0.093 0.000 2.374 108 A HA 0.576 4.896 4.320 -0.000 0.000 0.305 108 A C -0.664 177.175 177.584 0.425 0.000 1.053 108 A CA -0.621 51.554 52.037 0.231 0.000 0.726 108 A CB 0.790 19.854 19.000 0.105 0.000 1.229 108 A HN 0.466 nan 8.150 nan 0.000 0.431 109 I N 1.920 122.734 120.570 0.407 0.000 2.359 109 I HA 0.268 4.438 4.170 -0.000 0.000 0.294 109 I C -0.830 175.447 176.117 0.268 0.000 0.987 109 I CA -0.533 60.938 61.300 0.285 0.000 1.225 109 I CB 1.348 39.426 38.000 0.130 0.000 1.366 109 I HN 0.726 nan 8.210 nan 0.000 0.466 110 Y N 6.327 126.578 120.300 -0.083 0.000 2.331 110 Y HA 0.307 4.857 4.550 -0.000 0.000 0.338 110 Y C -0.130 175.655 175.900 -0.193 0.000 0.976 110 Y CA -0.288 57.575 58.100 -0.394 0.000 1.137 110 Y CB 1.033 39.105 38.460 -0.645 0.000 1.172 110 Y HN 0.509 nan 8.280 nan 0.000 0.478 111 Q N 7.682 127.207 119.800 -0.458 0.000 2.271 111 Q HA 0.592 4.932 4.340 -0.000 0.000 0.258 111 Q C -1.222 174.401 176.000 -0.629 0.000 0.936 111 Q CA -0.832 54.665 55.803 -0.510 0.000 0.909 111 Q CB 1.181 29.573 28.738 -0.577 0.000 1.253 111 Q HN 0.860 nan 8.270 nan 0.000 0.440 112 I N -0.098 120.129 120.570 -0.571 0.000 2.892 112 I HA 0.525 4.695 4.170 -0.000 0.000 0.306 112 I C -0.919 175.004 176.117 -0.323 0.000 1.078 112 I CA -1.304 59.722 61.300 -0.456 0.000 1.032 112 I CB 2.338 40.000 38.000 -0.563 0.000 1.229 112 I HN 0.526 nan 8.210 nan 0.000 0.435 113 M N 4.456 123.994 119.600 -0.103 0.000 2.088 113 M HA 0.336 4.816 4.480 -0.000 0.000 0.346 113 M C -1.748 174.587 176.300 0.059 0.000 1.111 113 M CA -1.606 53.678 55.300 -0.028 0.000 1.017 113 M CB 1.599 34.287 32.600 0.147 0.000 1.568 113 M HN 0.453 nan 8.290 nan 0.000 0.445 114 P HA -0.213 nan 4.420 nan 0.000 0.216 114 P C 0.700 178.142 177.300 0.237 0.000 1.150 114 P CA 1.668 64.739 63.100 -0.048 0.000 0.843 114 P CB 0.107 31.477 31.700 -0.549 0.000 0.787 115 D N -0.942 119.692 120.400 0.391 0.000 2.264 115 D HA -0.132 4.508 4.640 -0.000 0.000 0.208 115 D C 1.579 178.206 176.300 0.544 0.000 0.966 115 D CA 0.835 55.164 54.000 0.548 0.000 0.864 115 D CB 0.019 41.141 40.800 0.536 0.000 0.933 115 D HN -0.093 nan 8.370 nan 0.000 0.499 116 R N -0.951 119.848 120.500 0.498 0.000 2.437 116 R HA 0.128 4.468 4.340 -0.000 0.000 0.257 116 R C 0.902 177.629 176.300 0.712 0.000 0.927 116 R CA -0.151 56.289 56.100 0.568 0.000 1.078 116 R CB -0.372 30.138 30.300 0.349 0.000 1.161 116 R HN 0.253 nan 8.270 nan 0.000 0.529 117 F N 0.828 121.010 119.950 0.388 0.000 2.202 117 F HA 0.483 5.010 4.527 -0.000 0.000 0.279 117 F C -0.075 175.876 175.800 0.253 0.000 1.077 117 F CA 0.014 58.176 58.000 0.270 0.000 1.193 117 F CB 0.218 39.267 39.000 0.082 0.000 1.090 117 F HN -0.118 nan 8.300 nan 0.000 0.516 118 A N 0.755 123.491 122.820 -0.140 0.000 2.465 118 A HA 0.418 4.738 4.320 -0.000 0.000 0.292 118 A C -1.496 175.769 177.584 -0.532 0.000 1.041 118 A CA -0.619 51.132 52.037 -0.477 0.000 0.718 118 A CB 0.327 19.070 19.000 -0.429 0.000 1.266 118 A HN 0.226 nan 8.150 nan 0.000 0.403 119 N N 2.222 120.327 118.700 -0.991 0.000 2.719 119 N HA 0.281 5.021 4.740 -0.000 0.000 0.243 119 N C 1.157 176.428 175.510 -0.398 0.000 1.104 119 N CA 0.450 53.062 53.050 -0.730 0.000 0.981 119 N CB 0.866 38.653 38.487 -1.166 0.000 1.290 119 N HN 0.731 nan 8.380 nan 0.000 0.513 120 G N 1.050 109.716 108.800 -0.223 0.000 2.572 120 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 120 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 120 G C 0.097 174.936 174.900 -0.102 0.000 1.133 120 G CA 0.185 45.196 45.100 -0.148 0.000 0.791 120 G HN 0.544 nan 8.290 nan 0.000 0.538 121 D N -1.059 119.291 120.400 -0.084 0.000 2.330 121 D HA 0.330 4.970 4.640 -0.000 0.000 0.249 121 D C -2.032 174.248 176.300 -0.033 0.000 1.306 121 D CA -1.944 52.029 54.000 -0.044 0.000 0.956 121 D CB 1.768 42.558 40.800 -0.017 0.000 1.261 121 D HN -0.114 nan 8.370 nan 0.000 0.544 122 P HA -0.119 nan 4.420 nan 0.000 0.222 122 P C 1.366 178.673 177.300 0.013 0.000 1.147 122 P CA 0.888 63.989 63.100 0.002 0.000 0.790 122 P CB 0.226 31.935 31.700 0.014 0.000 0.780 123 S N 0.211 115.914 115.700 0.005 0.000 2.447 123 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 123 S C 1.527 176.131 174.600 0.007 0.000 1.006 123 S CA 1.217 59.421 58.200 0.007 0.000 0.957 123 S CB -1.321 61.881 63.200 0.004 0.000 0.773 123 S HN 0.215 nan 8.310 nan 0.000 0.507 124 N N 0.825 119.530 118.700 0.007 0.000 2.270 124 N HA 0.104 4.844 4.740 -0.000 0.000 0.198 124 N C 0.244 175.751 175.510 -0.005 0.000 1.117 124 N CA 0.313 53.365 53.050 0.002 0.000 0.845 124 N CB -0.371 38.122 38.487 0.010 0.000 0.980 124 N HN 0.159 nan 8.380 nan 0.000 0.486 125 D N 0.341 120.749 120.400 0.013 0.000 2.123 125 D HA -0.080 4.560 4.640 -0.000 0.000 0.196 125 D C -0.154 176.147 176.300 0.001 0.000 0.992 125 D CA 1.233 55.250 54.000 0.028 0.000 0.833 125 D CB -0.065 40.776 40.800 0.068 0.000 0.954 125 D HN 0.320 nan 8.370 nan 0.000 0.455 126 N N -0.318 118.380 118.700 -0.004 0.000 2.314 126 N HA 0.368 5.108 4.740 -0.000 0.000 0.304 126 N C -1.076 174.421 175.510 -0.022 0.000 1.073 126 N CA -0.437 52.602 53.050 -0.019 0.000 0.822 126 N CB 2.949 41.429 38.487 -0.012 0.000 1.280 126 N HN -0.249 nan 8.380 nan 0.000 0.489 127 V N 1.012 120.907 119.914 -0.032 0.000 2.483 127 V HA 0.486 4.606 4.120 -0.000 0.000 0.297 127 V C 0.170 176.248 176.094 -0.027 0.000 1.027 127 V CA -1.128 61.156 62.300 -0.027 0.000 0.855 127 V CB 1.427 33.232 31.823 -0.031 0.000 0.995 127 V HN 0.820 nan 8.190 nan 0.000 0.424 128 A N 3.553 126.361 122.820 -0.020 0.000 2.546 128 A HA 0.524 4.844 4.320 -0.000 0.000 0.243 128 A C 1.513 179.083 177.584 -0.023 0.000 1.063 128 A CA 1.022 53.047 52.037 -0.020 0.000 0.757 128 A CB -0.330 18.660 19.000 -0.015 0.000 0.991 128 A HN 2.212 nan 8.150 nan 0.000 0.503 129 G N 1.269 110.053 108.800 -0.027 0.000 2.284 129 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 129 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 129 G C 0.386 175.263 174.900 -0.039 0.000 1.009 129 G CA 0.229 45.312 45.100 -0.029 0.000 0.625 129 G HN 0.735 nan 8.290 nan 0.000 0.501 130 M N 0.192 119.764 119.600 -0.045 0.000 2.228 130 M HA 0.409 4.889 4.480 -0.000 0.000 0.326 130 M C 1.677 177.932 176.300 -0.075 0.000 1.122 130 M CA -0.220 55.042 55.300 -0.062 0.000 1.161 130 M CB 0.717 33.277 32.600 -0.066 0.000 1.437 130 M HN 0.122 nan 8.290 nan 0.000 0.465 131 R N 0.230 120.668 120.500 -0.103 0.000 2.240 131 R HA 0.063 4.403 4.340 -0.000 0.000 0.203 131 R C 0.175 176.410 176.300 -0.109 0.000 1.011 131 R CA 0.597 56.622 56.100 -0.125 0.000 1.007 131 R CB 0.287 30.458 30.300 -0.216 0.000 0.911 131 R HN 0.614 nan 8.270 nan 0.000 0.468 132 E N 0.805 120.946 120.200 -0.098 0.000 2.199 132 E HA 0.109 4.459 4.350 -0.000 0.000 0.269 132 E C -0.892 175.665 176.600 -0.072 0.000 0.899 132 E CA -0.635 55.710 56.400 -0.091 0.000 0.772 132 E CB 1.218 30.859 29.700 -0.098 0.000 1.155 132 E HN -0.137 nan 8.360 nan 0.000 0.408 133 Q N 1.445 121.205 119.800 -0.067 0.000 2.243 133 Q HA 0.406 4.746 4.340 -0.000 0.000 0.252 133 Q C -0.476 175.500 176.000 -0.040 0.000 0.909 133 Q CA -0.456 55.319 55.803 -0.046 0.000 0.922 133 Q CB 1.696 30.410 28.738 -0.039 0.000 1.215 133 Q HN 0.628 nan 8.270 nan 0.000 0.427 134 A N 2.274 125.087 122.820 -0.012 0.000 2.483 134 A HA 0.190 4.510 4.320 -0.000 0.000 0.238 134 A C -0.120 177.474 177.584 0.015 0.000 1.070 134 A CA 0.205 52.255 52.037 0.022 0.000 0.770 134 A CB 0.162 19.197 19.000 0.058 0.000 1.008 134 A HN 0.633 nan 8.150 nan 0.000 0.497 135 D N 0.651 121.072 120.400 0.036 0.000 2.319 135 D HA 0.161 4.801 4.640 -0.000 0.000 0.237 135 D C 0.729 177.019 176.300 -0.016 0.000 1.353 135 D CA -0.466 53.539 54.000 0.010 0.000 0.992 135 D CB 0.638 41.444 40.800 0.011 0.000 1.368 135 D HN 0.558 nan 8.370 nan 0.000 0.564 136 R N 2.177 122.583 120.500 -0.158 0.000 2.152 136 R HA 0.030 4.370 4.340 -0.000 0.000 0.232 136 R C 1.476 177.387 176.300 -0.649 0.000 1.117 136 R CA 1.067 56.825 56.100 -0.570 0.000 0.981 136 R CB 0.303 30.331 30.300 -0.454 0.000 0.870 136 R HN 0.264 nan 8.270 nan 0.000 0.451 137 R N -1.238 119.096 120.500 -0.277 0.000 2.299 137 R HA -0.023 4.317 4.340 -0.000 0.000 0.197 137 R C 0.039 176.286 176.300 -0.089 0.000 0.971 137 R CA 0.183 56.169 56.100 -0.191 0.000 1.030 137 R CB -0.035 30.190 30.300 -0.124 0.000 0.932 137 R HN 0.270 nan 8.270 nan 0.000 0.477 138 H N -0.696 118.322 119.070 -0.085 0.000 2.668 138 H HA 0.139 4.695 4.556 -0.000 0.000 0.303 138 H C 1.334 176.699 175.328 0.061 0.000 1.074 138 H CA -0.194 55.842 56.048 -0.021 0.000 1.406 138 H CB 1.385 31.122 29.762 -0.042 0.000 1.442 138 H HN 0.110 nan 8.280 nan 0.000 0.482 139 G N 2.733 111.521 108.800 -0.020 0.000 2.462 139 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 139 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 139 G C 1.330 176.274 174.900 0.073 0.000 1.121 139 G CA 0.567 45.697 45.100 0.049 0.000 0.758 139 G HN 0.712 nan 8.290 nan 0.000 0.559 140 G N -0.301 108.737 108.800 0.397 0.000 3.393 140 G HA2 0.488 4.448 3.960 -0.000 0.000 0.255 140 G HA3 0.488 4.448 3.960 -0.000 0.000 0.255 140 G C 0.661 175.497 174.900 -0.106 0.000 1.097 140 G CA 0.444 45.709 45.100 0.274 0.000 0.780 140 G HN 0.587 nan 8.290 nan 0.000 0.540 141 G N -0.118 108.616 108.800 -0.110 0.000 2.535 141 G HA2 0.512 4.472 3.960 -0.000 0.000 0.303 141 G HA3 0.512 4.472 3.960 -0.000 0.000 0.303 141 G C -0.299 174.515 174.900 -0.142 0.000 1.237 141 G CA -0.960 44.044 45.100 -0.159 0.000 0.986 141 G HN 0.236 nan 8.290 nan 0.000 0.494 142 R N -0.680 119.836 120.500 0.026 0.000 2.308 142 R HA 0.259 4.599 4.340 -0.000 0.000 0.305 142 R C 0.249 176.722 176.300 0.288 0.000 1.053 142 R CA -0.224 55.944 56.100 0.112 0.000 0.957 142 R CB 0.894 31.243 30.300 0.081 0.000 1.022 142 R HN 0.744 nan 8.270 nan 0.000 0.461 143 H N 0.714 119.867 119.070 0.137 0.000 2.654 143 H HA 0.139 4.695 4.556 -0.000 0.000 0.264 143 H C 1.008 176.640 175.328 0.508 0.000 0.954 143 H CA 0.225 56.395 56.048 0.204 0.000 1.199 143 H CB 1.040 30.839 29.762 0.063 0.000 1.446 143 H HN 1.001 nan 8.280 nan 0.000 0.516 144 G N 0.943 110.072 108.800 0.547 0.000 2.154 144 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.186 144 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.186 144 G C 0.612 175.656 174.900 0.240 0.000 1.000 144 G CA -0.225 45.086 45.100 0.353 0.000 0.664 144 G HN 0.595 nan 8.290 nan 0.000 0.513 145 G N 0.181 109.197 108.800 0.360 0.000 2.544 145 G HA2 0.588 4.548 3.960 -0.000 0.000 0.242 145 G HA3 0.588 4.548 3.960 -0.000 0.000 0.242 145 G C -0.027 175.041 174.900 0.279 0.000 1.247 145 G CA 0.916 46.104 45.100 0.147 0.000 0.840 145 G HN 1.075 nan 8.290 nan 0.000 0.578 146 D N -0.817 119.694 120.400 0.184 0.000 2.692 146 D HA 0.189 4.829 4.640 -0.000 0.000 0.303 146 D C 0.961 177.359 176.300 0.163 0.000 1.278 146 D CA -0.864 53.298 54.000 0.271 0.000 0.852 146 D CB 0.379 41.282 40.800 0.170 0.000 1.375 146 D HN 0.200 nan 8.370 nan 0.000 0.453 147 I N -0.463 120.208 120.570 0.170 0.000 2.226 147 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 147 I C 2.630 178.787 176.117 0.067 0.000 1.100 147 I CA 0.938 62.309 61.300 0.120 0.000 1.374 147 I CB -0.227 37.867 38.000 0.155 0.000 1.057 147 I HN 0.424 nan 8.210 nan 0.000 0.413 148 R N 1.142 121.669 120.500 0.044 0.000 2.113 148 R HA -0.203 4.137 4.340 -0.000 0.000 0.244 148 R C 2.316 178.585 176.300 -0.053 0.000 1.142 148 R CA 2.071 58.164 56.100 -0.011 0.000 0.953 148 R CB -0.715 29.573 30.300 -0.020 0.000 0.860 148 R HN 0.437 nan 8.270 nan 0.000 0.438 149 G N -0.912 107.860 108.800 -0.047 0.000 2.421 149 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 149 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 149 G C 1.349 176.251 174.900 0.005 0.000 1.171 149 G CA 1.289 46.340 45.100 -0.080 0.000 0.775 149 G HN 0.387 nan 8.290 nan 0.000 0.543 150 T N 1.417 116.046 114.554 0.124 0.000 2.652 150 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 150 T C 2.393 177.167 174.700 0.123 0.000 1.039 150 T CA 1.153 63.413 62.100 0.267 0.000 1.153 150 T CB -0.220 68.781 68.868 0.222 0.000 0.863 150 T HN 0.248 nan 8.240 nan 0.000 0.428 151 I N 1.344 121.927 120.570 0.022 0.000 2.194 151 I HA -0.215 3.955 4.170 -0.000 0.000 0.246 151 I C 2.262 178.306 176.117 -0.123 0.000 1.093 151 I CA 1.232 62.509 61.300 -0.038 0.000 1.355 151 I CB -0.436 37.538 38.000 -0.045 0.000 1.046 151 I HN 0.146 nan 8.210 nan 0.000 0.413 152 D N -0.153 120.103 120.400 -0.240 0.000 2.221 152 D HA -0.172 4.468 4.640 -0.000 0.000 0.204 152 D C 1.558 177.425 176.300 -0.722 0.000 0.982 152 D CA 1.348 55.042 54.000 -0.511 0.000 0.857 152 D CB -0.153 40.197 40.800 -0.750 0.000 0.934 152 D HN 0.479 nan 8.370 nan 0.000 0.475 153 H N -0.813 118.135 119.070 -0.204 0.000 2.581 153 H HA 0.230 4.786 4.556 -0.000 0.000 0.275 153 H C 1.912 177.266 175.328 0.043 0.000 1.126 153 H CA -0.146 55.765 56.048 -0.229 0.000 1.097 153 H CB 0.501 29.852 29.762 -0.685 0.000 1.626 153 H HN 0.104 nan 8.280 nan 0.000 0.565 154 L N 0.282 121.553 121.223 0.080 0.000 2.043 154 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 154 L C 1.942 178.850 176.870 0.063 0.000 1.075 154 L CA 1.298 56.177 54.840 0.066 0.000 0.752 154 L CB -0.162 41.904 42.059 0.012 0.000 0.891 154 L HN 0.104 nan 8.230 nan 0.000 0.432 155 D N -0.837 119.595 120.400 0.053 0.000 2.149 155 D HA -0.251 4.389 4.640 -0.000 0.000 0.198 155 D C 1.877 178.249 176.300 0.119 0.000 0.990 155 D CA 1.373 55.410 54.000 0.062 0.000 0.839 155 D CB -0.228 40.599 40.800 0.046 0.000 0.948 155 D HN 0.375 nan 8.370 nan 0.000 0.460 156 Y N 1.337 121.683 120.300 0.077 0.000 2.145 156 Y HA -0.164 4.386 4.550 -0.000 0.000 0.286 156 Y C 2.206 178.154 175.900 0.079 0.000 1.145 156 Y CA 1.336 59.525 58.100 0.150 0.000 1.148 156 Y CB -0.424 38.223 38.460 0.312 0.000 0.981 156 Y HN -0.101 nan 8.280 nan 0.000 0.507 157 I N 0.391 120.947 120.570 -0.024 0.000 2.179 157 I HA -0.330 3.840 4.170 -0.000 0.000 0.242 157 I C 2.696 178.733 176.117 -0.134 0.000 1.088 157 I CA 1.399 62.521 61.300 -0.296 0.000 1.357 157 I CB -0.833 36.994 38.000 -0.288 0.000 1.051 157 I HN 0.353 nan 8.210 nan 0.000 0.409 158 A N 0.909 123.700 122.820 -0.048 0.000 1.930 158 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 158 A C 2.441 179.997 177.584 -0.047 0.000 1.175 158 A CA 1.699 53.725 52.037 -0.019 0.000 0.627 158 A CB -1.397 17.600 19.000 -0.005 0.000 0.815 158 A HN 0.468 nan 8.150 nan 0.000 0.443 159 G N -0.194 108.570 108.800 -0.061 0.000 2.450 159 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 159 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 159 G C 1.442 176.277 174.900 -0.107 0.000 1.130 159 G CA 0.975 46.038 45.100 -0.062 0.000 0.760 159 G HN 0.449 nan 8.290 nan 0.000 0.557 160 L N -0.040 121.075 121.223 -0.179 0.000 2.376 160 L HA 0.163 4.503 4.340 -0.000 0.000 0.219 160 L C 2.151 178.877 176.870 -0.241 0.000 1.133 160 L CA 0.755 55.499 54.840 -0.160 0.000 0.816 160 L CB -0.016 41.999 42.059 -0.074 0.000 0.933 160 L HN 0.449 nan 8.230 nan 0.000 0.449 161 G N -1.273 107.393 108.800 -0.224 0.000 2.168 161 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.197 161 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.197 161 G C 0.029 174.674 174.900 -0.424 0.000 0.997 161 G CA -0.671 44.246 45.100 -0.304 0.000 0.658 161 G HN 0.092 nan 8.290 nan 0.000 0.513 162 F N 1.266 121.176 119.950 -0.067 0.000 2.389 162 F HA 0.539 5.066 4.527 -0.000 0.000 0.337 162 F C 1.722 177.512 175.800 -0.018 0.000 1.112 162 F CA 0.730 58.719 58.000 -0.019 0.000 1.192 162 F CB 1.718 40.720 39.000 0.003 0.000 1.185 162 F HN 0.082 nan 8.300 nan 0.000 0.552 163 T N -1.971 112.688 114.554 0.174 0.000 3.043 163 T HA 0.292 4.642 4.350 -0.000 0.000 0.272 163 T C 0.014 174.771 174.700 0.095 0.000 0.990 163 T CA -0.203 61.950 62.100 0.089 0.000 0.897 163 T CB 0.095 68.984 68.868 0.035 0.000 1.111 163 T HN 0.442 nan 8.240 nan 0.000 0.529 164 Q N 0.743 120.626 119.800 0.138 0.000 2.340 164 Q HA 0.558 4.898 4.340 -0.000 0.000 0.276 164 Q C -2.023 174.040 176.000 0.106 0.000 1.048 164 Q CA -0.758 55.095 55.803 0.084 0.000 0.832 164 Q CB 3.008 31.761 28.738 0.024 0.000 1.373 164 Q HN 0.293 nan 8.270 nan 0.000 0.409 165 L N 2.371 123.634 121.223 0.067 0.000 2.325 165 L HA 0.611 4.951 4.340 -0.000 0.000 0.281 165 L C -1.691 175.247 176.870 0.113 0.000 1.004 165 L CA -0.280 54.606 54.840 0.076 0.000 0.823 165 L CB 1.083 43.158 42.059 0.028 0.000 1.236 165 L HN 0.697 nan 8.230 nan 0.000 0.415 166 W N 9.745 130.987 121.300 -0.095 0.000 2.299 166 W HA 0.664 5.324 4.660 -0.000 0.000 0.319 166 W C -2.770 173.679 176.519 -0.117 0.000 1.008 166 W CA -2.978 54.297 57.345 -0.117 0.000 1.384 166 W CB 0.838 30.207 29.460 -0.151 0.000 1.220 166 W HN 0.395 nan 8.180 nan 0.000 0.402 167 P HA 0.246 nan 4.420 nan 0.000 0.292 167 P C 0.268 177.440 177.300 -0.214 0.000 1.283 167 P CA -0.064 62.898 63.100 -0.229 0.000 0.835 167 P CB 1.354 32.991 31.700 -0.104 0.000 1.017 168 T N 0.654 114.965 114.554 -0.405 0.000 2.734 168 T HA 0.210 4.560 4.350 -0.000 0.000 0.314 168 T C -2.285 172.226 174.700 -0.315 0.000 1.057 168 T CA -1.411 60.513 62.100 -0.295 0.000 1.047 168 T CB -1.149 67.479 68.868 -0.400 0.000 0.991 168 T HN 0.218 nan 8.240 nan 0.000 0.540 169 P HA 0.182 nan 4.420 nan 0.000 0.265 169 P C -0.009 177.086 177.300 -0.342 0.000 1.193 169 P CA -0.183 62.689 63.100 -0.381 0.000 0.765 169 P CB 0.288 31.724 31.700 -0.440 0.000 0.823 170 L N 2.828 123.826 121.223 -0.376 0.000 2.616 170 L HA 0.061 4.401 4.340 -0.000 0.000 0.229 170 L C 0.695 177.511 176.870 -0.090 0.000 1.110 170 L CA 0.239 54.889 54.840 -0.317 0.000 0.884 170 L CB -0.246 41.534 42.059 -0.465 0.000 1.115 170 L HN 0.209 nan 8.230 nan 0.000 0.481 171 V N -2.048 117.750 119.914 -0.194 0.000 2.999 171 V HA 0.053 4.173 4.120 -0.000 0.000 0.307 171 V C 0.734 176.822 176.094 -0.010 0.000 1.084 171 V CA -1.026 61.228 62.300 -0.077 0.000 1.155 171 V CB 0.328 32.115 31.823 -0.060 0.000 0.975 171 V HN 0.266 nan 8.190 nan 0.000 0.490 172 E N 2.923 123.135 120.200 0.019 0.000 2.652 172 E HA -0.084 4.266 4.350 -0.000 0.000 0.255 172 E C -0.197 176.366 176.600 -0.061 0.000 0.952 172 E CA 0.445 56.838 56.400 -0.011 0.000 0.947 172 E CB 0.025 29.722 29.700 -0.005 0.000 0.912 172 E HN 0.850 nan 8.360 nan 0.000 0.489 173 N N 4.809 123.472 118.700 -0.063 0.000 2.804 173 N HA 0.026 4.766 4.740 -0.000 0.000 0.251 173 N C -1.343 174.125 175.510 -0.071 0.000 1.250 173 N CA -0.342 52.664 53.050 -0.074 0.000 0.820 173 N CB 0.710 39.136 38.487 -0.102 0.000 1.156 173 N HN 0.380 nan 8.380 nan 0.000 0.512 174 D N 2.075 122.442 120.400 -0.056 0.000 2.896 174 D HA 0.239 4.879 4.640 -0.000 0.000 0.240 174 D C -0.243 175.989 176.300 -0.114 0.000 1.193 174 D CA -0.244 53.709 54.000 -0.079 0.000 0.983 174 D CB -0.046 40.714 40.800 -0.067 0.000 1.074 174 D HN 0.425 nan 8.370 nan 0.000 0.496 175 A N 0.527 123.296 122.820 -0.084 0.000 2.269 175 A HA 0.673 4.993 4.320 -0.000 0.000 0.319 175 A C 1.258 178.746 177.584 -0.160 0.000 1.110 175 A CA -0.046 51.953 52.037 -0.064 0.000 0.847 175 A CB 1.106 20.163 19.000 0.095 0.000 1.161 175 A HN 0.337 nan 8.150 nan 0.000 0.497 176 A N -0.221 122.504 122.820 -0.160 0.000 2.067 176 A HA 0.506 4.826 4.320 -0.000 0.000 0.217 176 A C 1.032 178.575 177.584 -0.069 0.000 1.156 176 A CA 1.584 53.554 52.037 -0.110 0.000 0.683 176 A CB -0.391 18.574 19.000 -0.059 0.000 0.808 176 A HN 2.130 nan 8.150 nan 0.000 0.455 177 A N -3.461 119.350 122.820 -0.015 0.000 2.594 177 A HA 0.558 4.878 4.320 -0.000 0.000 0.295 177 A C -0.155 177.464 177.584 0.059 0.000 1.071 177 A CA -0.502 51.481 52.037 -0.091 0.000 0.685 177 A CB 0.072 19.032 19.000 -0.067 0.000 1.285 177 A HN 0.903 nan 8.150 nan 0.000 0.405 178 Y N 0.310 120.641 120.300 0.051 0.000 3.721 178 Y HA -0.302 4.248 4.550 -0.000 0.000 0.218 178 Y C 2.004 177.821 175.900 -0.138 0.000 1.188 178 Y CA 1.185 59.357 58.100 0.120 0.000 1.607 178 Y CB -2.391 36.193 38.460 0.207 0.000 1.496 178 Y HN 1.089 nan 8.280 nan 0.000 0.626 179 S N -0.869 114.824 115.700 -0.011 0.000 2.442 179 S HA -0.252 4.218 4.470 -0.000 0.000 0.236 179 S C 1.718 176.211 174.600 -0.179 0.000 1.007 179 S CA 1.191 59.312 58.200 -0.131 0.000 0.965 179 S CB -0.727 62.425 63.200 -0.080 0.000 0.773 179 S HN 0.699 nan 8.310 nan 0.000 0.504 180 Y N 2.841 123.073 120.300 -0.113 0.000 2.352 180 Y HA -0.050 4.500 4.550 -0.000 0.000 0.292 180 Y C 2.340 178.287 175.900 0.078 0.000 1.136 180 Y CA 1.076 59.177 58.100 0.002 0.000 1.227 180 Y CB -1.407 37.073 38.460 0.033 0.000 0.991 180 Y HN 0.663 nan 8.280 nan 0.000 0.545 181 H N -1.410 117.216 119.070 -0.739 0.000 2.512 181 H HA 0.276 4.832 4.556 -0.000 0.000 0.279 181 H C 1.906 177.063 175.328 -0.284 0.000 0.999 181 H CA 0.628 56.310 56.048 -0.610 0.000 1.283 181 H CB -0.215 29.206 29.762 -0.568 0.000 1.421 181 H HN 0.472 nan 8.280 nan 0.000 0.554 182 G N 0.865 109.538 108.800 -0.211 0.000 2.199 182 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.254 182 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.254 182 G C 0.333 175.089 174.900 -0.240 0.000 0.982 182 G CA 0.422 45.390 45.100 -0.220 0.000 0.632 182 G HN 0.532 nan 8.290 nan 0.000 0.529 183 Y N 0.786 121.250 120.300 0.273 0.000 2.471 183 Y HA 0.537 5.087 4.550 -0.000 0.000 0.286 183 Y C 1.777 177.781 175.900 0.173 0.000 1.188 183 Y CA 0.796 58.999 58.100 0.172 0.000 1.286 183 Y CB 0.552 39.061 38.460 0.083 0.000 1.072 183 Y HN 0.593 nan 8.280 nan 0.000 0.517 184 A N 0.429 123.367 122.820 0.197 0.000 2.978 184 A HA 0.738 5.058 4.320 -0.000 0.000 0.341 184 A C 0.128 177.719 177.584 0.011 0.000 1.105 184 A CA -0.562 51.566 52.037 0.152 0.000 0.819 184 A CB -0.658 18.440 19.000 0.163 0.000 1.080 184 A HN 0.170 nan 8.150 nan 0.000 0.476 185 A N 1.137 123.912 122.820 -0.075 0.000 2.511 185 A HA 0.465 4.785 4.320 -0.000 0.000 0.242 185 A C 1.323 178.802 177.584 -0.175 0.000 1.069 185 A CA 0.813 52.719 52.037 -0.218 0.000 0.763 185 A CB -0.006 18.652 19.000 -0.569 0.000 1.001 185 A HN 1.361 nan 8.150 nan 0.000 0.498 186 T N -1.814 112.613 114.554 -0.211 0.000 3.010 186 T HA 0.277 4.627 4.350 -0.000 0.000 0.257 186 T C -0.155 174.148 174.700 -0.661 0.000 1.020 186 T CA 0.570 62.473 62.100 -0.329 0.000 0.938 186 T CB 0.151 68.941 68.868 -0.131 0.000 1.049 186 T HN 0.618 nan 8.240 nan 0.000 0.522 187 D N 0.161 120.324 120.400 -0.395 0.000 2.419 187 D HA 0.158 4.798 4.640 -0.000 0.000 0.219 187 D C 0.059 176.359 176.300 0.000 0.000 1.349 187 D CA -0.395 53.488 54.000 -0.196 0.000 0.964 187 D CB 0.783 41.587 40.800 0.007 0.000 1.463 187 D HN -0.017 nan 8.370 nan 0.000 0.573 188 H N 2.321 121.481 119.070 0.151 0.000 2.521 188 H HA -0.041 4.515 4.556 -0.000 0.000 0.286 188 H C 0.341 175.787 175.328 0.198 0.000 1.034 188 H CA 1.007 57.172 56.048 0.195 0.000 1.278 188 H CB 0.452 30.344 29.762 0.217 0.000 1.386 188 H HN 0.481 nan 8.280 nan 0.000 0.567 189 Y N -0.239 120.242 120.300 0.302 0.000 2.555 189 Y HA 0.228 4.778 4.550 -0.000 0.000 0.259 189 Y C 0.804 176.827 175.900 0.204 0.000 1.179 189 Y CA -0.123 57.989 58.100 0.020 0.000 1.230 189 Y CB 0.818 39.081 38.460 -0.328 0.000 1.146 189 Y HN -0.123 nan 8.280 nan 0.000 0.526 190 R N 0.792 121.574 120.500 0.469 0.000 2.533 190 R HA 0.322 4.662 4.340 -0.000 0.000 0.288 190 R C -1.209 175.306 176.300 0.359 0.000 1.039 190 R CA -0.694 55.647 56.100 0.400 0.000 0.909 190 R CB 1.046 31.490 30.300 0.241 0.000 1.195 190 R HN -0.040 nan 8.270 nan 0.000 0.438 191 I N 3.171 123.969 120.570 0.380 0.000 2.683 191 I HA -0.074 4.096 4.170 -0.000 0.000 0.286 191 I C 0.782 177.009 176.117 0.183 0.000 1.175 191 I CA 0.448 61.879 61.300 0.219 0.000 1.429 191 I CB 0.203 38.347 38.000 0.239 0.000 1.371 191 I HN 0.656 nan 8.210 nan 0.000 0.569 192 D N 9.098 129.598 120.400 0.165 0.000 2.472 192 D HA -0.011 4.629 4.640 -0.000 0.000 0.248 192 D C -1.609 174.711 176.300 0.035 0.000 1.174 192 D CA -1.077 52.958 54.000 0.058 0.000 0.883 192 D CB 1.497 42.270 40.800 -0.045 0.000 1.149 192 D HN 0.247 nan 8.370 nan 0.000 0.488 193 P HA -0.117 nan 4.420 nan 0.000 0.221 193 P C 0.839 178.125 177.300 -0.022 0.000 1.145 193 P CA 1.049 64.162 63.100 0.022 0.000 0.795 193 P CB 0.248 31.953 31.700 0.009 0.000 0.775 194 R N -2.223 118.198 120.500 -0.132 0.000 2.189 194 R HA -0.077 4.263 4.340 -0.000 0.000 0.218 194 R C 1.764 177.969 176.300 -0.159 0.000 1.074 194 R CA 1.076 57.068 56.100 -0.181 0.000 0.991 194 R CB -1.052 29.084 30.300 -0.274 0.000 0.883 194 R HN 0.309 nan 8.270 nan 0.000 0.457 195 Y N -0.738 119.591 120.300 0.049 0.000 2.365 195 Y HA 0.302 4.852 4.550 -0.000 0.000 0.293 195 Y C 1.522 177.465 175.900 0.071 0.000 1.119 195 Y CA 0.662 58.797 58.100 0.059 0.000 1.203 195 Y CB 0.008 38.499 38.460 0.052 0.000 1.026 195 Y HN 0.193 nan 8.280 nan 0.000 0.549 196 G N -0.895 108.035 108.800 0.216 0.000 2.302 196 G HA2 0.219 4.179 3.960 -0.000 0.000 0.264 196 G HA3 0.219 4.179 3.960 -0.000 0.000 0.264 196 G C -0.998 174.015 174.900 0.189 0.000 1.335 196 G CA -0.514 44.691 45.100 0.173 0.000 0.982 196 G HN 0.309 nan 8.290 nan 0.000 0.473 197 S N -0.458 115.360 115.700 0.197 0.000 2.722 197 S HA 0.521 4.990 4.470 -0.000 0.000 0.292 197 S C 1.140 175.937 174.600 0.328 0.000 1.135 197 S CA 0.176 58.514 58.200 0.230 0.000 1.003 197 S CB 1.704 65.019 63.200 0.192 0.000 1.067 197 S HN 0.598 nan 8.310 nan 0.000 0.546 198 N N 1.313 120.259 118.700 0.409 0.000 2.094 198 N HA -0.140 4.600 4.740 -0.000 0.000 0.191 198 N C 1.434 177.255 175.510 0.518 0.000 1.023 198 N CA 1.893 55.306 53.050 0.605 0.000 0.857 198 N CB -0.726 38.187 38.487 0.711 0.000 1.013 198 N HN 0.739 nan 8.380 nan 0.000 0.426 199 E N 0.551 120.974 120.200 0.372 0.000 2.110 199 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 199 E C 1.346 178.046 176.600 0.168 0.000 0.988 199 E CA 0.966 57.509 56.400 0.239 0.000 0.804 199 E CB -0.233 29.578 29.700 0.185 0.000 0.745 199 E HN 0.358 nan 8.360 nan 0.000 0.458 200 D N -0.434 120.083 120.400 0.194 0.000 2.144 200 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 200 D C 1.642 178.049 176.300 0.178 0.000 0.984 200 D CA 0.674 54.768 54.000 0.156 0.000 0.834 200 D CB -0.262 40.639 40.800 0.168 0.000 0.955 200 D HN 0.143 nan 8.370 nan 0.000 0.465 201 F N 1.415 121.428 119.950 0.105 0.000 2.113 201 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 201 F C 2.230 178.037 175.800 0.012 0.000 1.103 201 F CA 0.809 58.855 58.000 0.076 0.000 1.248 201 F CB -0.339 38.754 39.000 0.155 0.000 0.999 201 F HN -0.231 nan 8.300 nan 0.000 0.475 202 V N 0.779 120.683 119.914 -0.017 0.000 2.324 202 V HA -0.343 3.777 4.120 -0.000 0.000 0.250 202 V C 2.575 178.560 176.094 -0.183 0.000 1.060 202 V CA 2.375 64.544 62.300 -0.220 0.000 1.042 202 V CB -0.836 30.807 31.823 -0.299 0.000 0.650 202 V HN 0.295 nan 8.190 nan 0.000 0.450 203 R N -0.409 120.036 120.500 -0.092 0.000 2.096 203 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 203 R C 2.262 178.498 176.300 -0.107 0.000 1.127 203 R CA 1.575 57.630 56.100 -0.075 0.000 0.968 203 R CB -0.371 29.914 30.300 -0.024 0.000 0.861 203 R HN 0.465 nan 8.270 nan 0.000 0.440 204 L N 0.311 121.455 121.223 -0.132 0.000 2.012 204 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 204 L C 2.224 178.963 176.870 -0.219 0.000 1.073 204 L CA 2.324 57.067 54.840 -0.162 0.000 0.748 204 L CB -0.987 40.964 42.059 -0.180 0.000 0.891 204 L HN 0.146 nan 8.230 nan 0.000 0.431 205 S N -1.313 114.188 115.700 -0.332 0.000 2.359 205 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 205 S C 2.076 176.575 174.600 -0.168 0.000 1.035 205 S CA 2.160 60.193 58.200 -0.280 0.000 1.018 205 S CB -0.732 62.266 63.200 -0.336 0.000 0.876 205 S HN 0.817 nan 8.310 nan 0.000 0.448 206 T N -0.421 114.045 114.554 -0.146 0.000 2.821 206 T HA 0.011 4.361 4.350 -0.000 0.000 0.267 206 T C 1.659 176.313 174.700 -0.077 0.000 1.046 206 T CA 1.159 63.200 62.100 -0.099 0.000 1.139 206 T CB -0.484 68.334 68.868 -0.084 0.000 0.871 206 T HN 0.297 nan 8.240 nan 0.000 0.454 207 E N 1.707 121.861 120.200 -0.078 0.000 2.106 207 E HA 0.077 4.427 4.350 -0.000 0.000 0.192 207 E C 2.641 179.208 176.600 -0.054 0.000 0.984 207 E CA 1.220 57.584 56.400 -0.060 0.000 0.806 207 E CB -0.732 28.934 29.700 -0.057 0.000 0.750 207 E HN 0.689 nan 8.360 nan 0.000 0.458 208 A N 1.546 124.326 122.820 -0.066 0.000 1.877 208 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 208 A C 2.239 179.798 177.584 -0.042 0.000 1.186 208 A CA 1.739 53.745 52.037 -0.051 0.000 0.620 208 A CB -0.526 18.435 19.000 -0.065 0.000 0.822 208 A HN 0.140 nan 8.150 nan 0.000 0.443 209 R N -0.082 120.386 120.500 -0.054 0.000 2.096 209 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 209 R C 1.967 178.247 176.300 -0.033 0.000 1.127 209 R CA 1.812 57.886 56.100 -0.043 0.000 0.968 209 R CB -0.231 30.037 30.300 -0.053 0.000 0.861 209 R HN 0.511 nan 8.270 nan 0.000 0.440 210 K N -0.292 120.087 120.400 -0.035 0.000 2.280 210 K HA -0.110 4.210 4.320 -0.000 0.000 0.202 210 K C 1.587 178.175 176.600 -0.021 0.000 1.047 210 K CA 1.145 57.416 56.287 -0.027 0.000 0.942 210 K CB 0.063 32.545 32.500 -0.029 0.000 0.739 210 K HN 0.121 nan 8.250 nan 0.000 0.457 211 R N -0.444 120.044 120.500 -0.021 0.000 2.426 211 R HA 0.072 4.412 4.340 -0.000 0.000 0.263 211 R C 0.361 176.655 176.300 -0.010 0.000 0.961 211 R CA 0.335 56.427 56.100 -0.013 0.000 1.086 211 R CB 0.703 30.997 30.300 -0.011 0.000 1.186 211 R HN 0.298 nan 8.270 nan 0.000 0.537 212 G N 1.341 110.134 108.800 -0.012 0.000 2.176 212 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.252 212 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.252 212 G C 0.008 174.908 174.900 -0.001 0.000 1.024 212 G CA 0.197 45.292 45.100 -0.008 0.000 0.755 212 G HN 0.217 nan 8.290 nan 0.000 0.507 213 M N 0.313 119.912 119.600 -0.002 0.000 2.383 213 M HA 0.564 5.044 4.480 -0.000 0.000 0.325 213 M C 0.836 177.135 176.300 -0.002 0.000 1.092 213 M CA -0.237 55.069 55.300 0.010 0.000 0.961 213 M CB 2.105 34.715 32.600 0.016 0.000 1.672 213 M HN 0.210 nan 8.290 nan 0.000 0.438 214 G N 1.647 110.455 108.800 0.014 0.000 2.562 214 G HA2 0.600 4.560 3.960 -0.000 0.000 0.275 214 G HA3 0.600 4.560 3.960 -0.000 0.000 0.275 214 G C -1.633 173.262 174.900 -0.007 0.000 1.196 214 G CA -0.460 44.643 45.100 0.006 0.000 0.908 214 G HN 0.562 nan 8.290 nan 0.000 0.524 215 L N 0.344 121.550 121.223 -0.028 0.000 2.356 215 L HA 0.641 4.981 4.340 -0.000 0.000 0.277 215 L C -0.690 176.182 176.870 0.004 0.000 0.996 215 L CA -0.657 54.158 54.840 -0.041 0.000 0.822 215 L CB 1.550 43.521 42.059 -0.146 0.000 1.256 215 L HN 0.396 nan 8.230 nan 0.000 0.413 216 I N 4.495 125.085 120.570 0.033 0.000 2.355 216 I HA 0.380 4.550 4.170 -0.000 0.000 0.288 216 I C -0.308 175.864 176.117 0.093 0.000 0.999 216 I CA -0.511 60.806 61.300 0.027 0.000 1.163 216 I CB 1.720 39.637 38.000 -0.139 0.000 1.316 216 I HN 0.631 nan 8.210 nan 0.000 0.454 217 Q N 4.931 124.785 119.800 0.091 0.000 2.235 217 Q HA 0.157 4.497 4.340 -0.000 0.000 0.250 217 Q C -0.831 175.185 176.000 0.027 0.000 0.909 217 Q CA -0.580 55.281 55.803 0.097 0.000 0.910 217 Q CB 1.476 30.256 28.738 0.071 0.000 1.223 217 Q HN 0.465 nan 8.270 nan 0.000 0.432 218 D N 3.334 123.768 120.400 0.056 0.000 2.347 218 D HA 0.244 4.884 4.640 -0.000 0.000 0.235 218 D C -1.119 175.178 176.300 -0.005 0.000 1.149 218 D CA -0.246 53.797 54.000 0.072 0.000 0.850 218 D CB 0.924 41.893 40.800 0.282 0.000 1.061 218 D HN 0.374 nan 8.370 nan 0.000 0.487 219 V N 1.714 121.640 119.914 0.021 0.000 2.459 219 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 219 V C -0.156 175.949 176.094 0.019 0.000 1.029 219 V CA -0.863 61.450 62.300 0.020 0.000 0.874 219 V CB 1.655 33.518 31.823 0.067 0.000 0.985 219 V HN 0.175 nan 8.190 nan 0.000 0.438 220 V N 6.039 125.951 119.914 -0.003 0.000 2.394 220 V HA 0.397 4.517 4.120 -0.000 0.000 0.282 220 V C 0.725 176.743 176.094 -0.127 0.000 1.031 220 V CA -0.248 61.990 62.300 -0.103 0.000 0.881 220 V CB 1.245 32.936 31.823 -0.220 0.000 0.982 220 V HN 0.924 nan 8.190 nan 0.000 0.451 221 L N 2.712 123.823 121.223 -0.186 0.000 2.425 221 L HA 0.097 4.437 4.340 -0.000 0.000 0.215 221 L C 2.271 179.005 176.870 -0.228 0.000 1.065 221 L CA 0.698 55.431 54.840 -0.179 0.000 0.842 221 L CB -0.082 41.878 42.059 -0.165 0.000 1.033 221 L HN 0.723 nan 8.230 nan 0.000 0.474 222 S N -0.928 114.624 115.700 -0.245 0.000 2.414 222 S HA -0.030 4.440 4.470 -0.000 0.000 0.227 222 S C 0.595 175.119 174.600 -0.126 0.000 1.022 222 S CA 0.200 58.297 58.200 -0.171 0.000 0.958 222 S CB -0.116 63.063 63.200 -0.036 0.000 0.797 222 S HN 0.530 nan 8.310 nan 0.000 0.493 223 H N -0.869 118.119 119.070 -0.137 0.000 2.985 223 H HA 0.627 5.183 4.556 -0.000 0.000 0.360 223 H C -0.514 174.768 175.328 -0.078 0.000 1.221 223 H CA -0.971 54.982 56.048 -0.158 0.000 1.121 223 H CB 1.073 30.722 29.762 -0.188 0.000 1.854 223 H HN 0.332 nan 8.280 nan 0.000 0.551 224 I N -1.462 119.131 120.570 0.038 0.000 3.445 224 I HA 0.776 4.946 4.170 -0.000 0.000 0.303 224 I C 0.110 176.247 176.117 0.032 0.000 1.129 224 I CA -1.464 59.838 61.300 0.003 0.000 0.989 224 I CB 2.007 39.956 38.000 -0.085 0.000 1.314 224 I HN 0.645 nan 8.210 nan 0.000 0.488 225 G N 0.524 109.339 108.800 0.025 0.000 2.425 225 G HA2 0.301 4.261 3.960 -0.000 0.000 0.302 225 G HA3 0.301 4.261 3.960 -0.000 0.000 0.302 225 G C 0.424 175.330 174.900 0.010 0.000 1.159 225 G CA -0.604 44.519 45.100 0.039 0.000 0.865 225 G HN 0.922 nan 8.290 nan 0.000 0.515 226 K N -0.469 119.911 120.400 -0.032 0.000 2.360 226 K HA -0.084 4.236 4.320 -0.000 0.000 0.201 226 K C 0.793 177.288 176.600 -0.175 0.000 1.046 226 K CA 1.086 57.310 56.287 -0.105 0.000 0.945 226 K CB -0.022 32.392 32.500 -0.144 0.000 0.750 226 K HN 0.527 nan 8.250 nan 0.000 0.464 227 H N 0.117 119.223 119.070 0.060 0.000 2.526 227 H HA 0.051 4.607 4.556 -0.000 0.000 0.274 227 H C -0.015 175.340 175.328 0.044 0.000 0.999 227 H CA -0.102 55.978 56.048 0.054 0.000 1.157 227 H CB -0.244 29.535 29.762 0.029 0.000 1.407 227 H HN 0.269 nan 8.280 nan 0.000 0.568 228 H N 1.772 120.833 119.070 -0.015 0.000 2.928 228 H HA -0.126 4.430 4.556 -0.000 0.000 0.338 228 H C 1.266 176.536 175.328 -0.097 0.000 1.047 228 H CA 0.099 56.049 56.048 -0.163 0.000 1.435 228 H CB 0.461 30.009 29.762 -0.356 0.000 1.428 228 H HN 0.501 nan 8.280 nan 0.000 0.590 229 W N 4.916 126.141 121.300 -0.124 0.000 2.364 229 W HA -0.147 4.513 4.660 -0.000 0.000 0.281 229 W C 0.993 177.627 176.519 0.192 0.000 1.219 229 W CA -0.145 57.205 57.345 0.009 0.000 1.220 229 W CB -1.098 28.293 29.460 -0.114 0.000 1.127 229 W HN 0.541 nan 8.180 nan 0.000 0.556 230 W N 1.111 122.214 121.300 -0.328 0.000 2.331 230 W HA -0.196 4.464 4.660 -0.000 0.000 0.291 230 W C 2.345 178.753 176.519 -0.186 0.000 1.214 230 W CA 0.892 57.932 57.345 -0.509 0.000 1.228 230 W CB -1.291 27.665 29.460 -0.841 0.000 1.135 230 W HN -0.082 nan 8.180 nan 0.000 0.537 231 M N 0.186 119.883 119.600 0.162 0.000 2.460 231 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 231 M C 1.531 177.914 176.300 0.139 0.000 1.071 231 M CA 1.141 56.518 55.300 0.128 0.000 1.096 231 M CB -1.177 31.488 32.600 0.109 0.000 1.408 231 M HN 0.079 nan 8.290 nan 0.000 0.463 232 K N -0.218 120.291 120.400 0.181 0.000 2.296 232 K HA -0.039 4.281 4.320 -0.000 0.000 0.200 232 K C 0.075 176.783 176.600 0.179 0.000 1.048 232 K CA 0.644 57.039 56.287 0.181 0.000 0.966 232 K CB 0.246 32.877 32.500 0.218 0.000 0.754 232 K HN 0.085 nan 8.250 nan 0.000 0.466 233 D N 0.373 120.891 120.400 0.196 0.000 2.634 233 D HA 0.122 4.762 4.640 -0.000 0.000 0.236 233 D C -1.076 175.299 176.300 0.126 0.000 1.323 233 D CA -0.217 53.908 54.000 0.209 0.000 0.884 233 D CB 0.219 41.211 40.800 0.320 0.000 1.496 233 D HN -0.090 nan 8.370 nan 0.000 0.525 234 L N 3.283 124.498 121.223 -0.013 0.000 2.628 234 L HA 0.114 4.453 4.340 -0.000 0.000 0.274 234 L C -1.061 175.519 176.870 -0.484 0.000 1.209 234 L CA -0.846 53.857 54.840 -0.228 0.000 0.930 234 L CB 0.510 42.507 42.059 -0.104 0.000 1.183 234 L HN 0.246 nan 8.230 nan 0.000 0.492 235 P HA -0.105 nan 4.420 nan 0.000 0.215 235 P C 0.249 177.099 177.300 -0.750 0.000 1.153 235 P CA 1.141 63.227 63.100 -1.689 0.000 0.853 235 P CB 0.144 30.283 31.700 -2.602 0.000 0.788 236 T N -7.709 106.579 114.554 -0.443 0.000 2.896 236 T HA 0.440 4.790 4.350 -0.000 0.000 0.297 236 T C -2.501 172.163 174.700 -0.059 0.000 1.108 236 T CA -2.264 59.757 62.100 -0.132 0.000 1.004 236 T CB 1.648 70.512 68.868 -0.006 0.000 1.159 236 T HN -0.304 nan 8.240 nan 0.000 0.499 237 P HA -0.028 nan 4.420 nan 0.000 0.219 237 P C 0.675 177.983 177.300 0.013 0.000 1.146 237 P CA 1.158 64.257 63.100 -0.001 0.000 0.808 237 P CB -0.021 31.679 31.700 0.000 0.000 0.779 238 D N -3.030 117.373 120.400 0.004 0.000 2.462 238 D HA -0.062 4.578 4.640 -0.000 0.000 0.221 238 D C 1.348 177.626 176.300 -0.035 0.000 1.173 238 D CA -0.550 53.435 54.000 -0.025 0.000 0.831 238 D CB -1.272 39.490 40.800 -0.062 0.000 1.001 238 D HN 0.230 nan 8.370 nan 0.000 0.499 239 W N 1.060 122.219 121.300 -0.235 0.000 2.363 239 W HA 0.016 4.676 4.660 -0.000 0.000 0.296 239 W C -0.353 175.998 176.519 -0.280 0.000 1.212 239 W CA 0.583 57.727 57.345 -0.334 0.000 1.260 239 W CB 0.307 29.485 29.460 -0.470 0.000 1.131 239 W HN -0.127 nan 8.180 nan 0.000 0.530 240 I N 1.796 122.376 120.570 0.017 0.000 2.377 240 I HA 0.112 4.282 4.170 -0.000 0.000 0.293 240 I C -0.039 176.099 176.117 0.035 0.000 0.987 240 I CA -1.053 60.243 61.300 -0.007 0.000 1.185 240 I CB 0.571 38.634 38.000 0.105 0.000 1.341 240 I HN -0.142 nan 8.210 nan 0.000 0.455 241 N N 5.095 123.798 118.700 0.006 0.000 2.395 241 N HA -0.024 4.716 4.740 -0.000 0.000 0.246 241 N C -0.733 174.914 175.510 0.229 0.000 1.246 241 N CA 0.313 53.353 53.050 -0.017 0.000 0.879 241 N CB 0.003 38.453 38.487 -0.063 0.000 1.098 241 N HN 0.416 nan 8.380 nan 0.000 0.444 242 Y N -0.461 119.925 120.300 0.144 0.000 3.689 242 Y HA -0.213 4.337 4.550 -0.000 0.000 0.221 242 Y C 1.337 177.285 175.900 0.081 0.000 1.247 242 Y CA 0.805 58.954 58.100 0.081 0.000 1.671 242 Y CB -2.152 36.317 38.460 0.015 0.000 1.521 242 Y HN 0.906 nan 8.280 nan 0.000 0.632 243 G N -1.077 107.808 108.800 0.142 0.000 2.225 243 G HA2 0.075 4.035 3.960 -0.000 0.000 0.267 243 G HA3 0.075 4.035 3.960 -0.000 0.000 0.267 243 G C 1.438 176.441 174.900 0.170 0.000 1.024 243 G CA 1.220 46.391 45.100 0.118 0.000 0.784 243 G HN 2.144 nan 8.290 nan 0.000 0.507 244 G N -1.237 107.734 108.800 0.284 0.000 2.148 244 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.254 244 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.254 244 G C 0.315 175.472 174.900 0.428 0.000 0.981 244 G CA 1.479 46.813 45.100 0.389 0.000 0.670 244 G HN 2.001 nan 8.290 nan 0.000 0.528 245 K N -0.734 119.804 120.400 0.231 0.000 2.156 245 K HA 0.729 5.049 4.320 -0.000 0.000 0.254 245 K C 0.032 176.226 176.600 -0.677 0.000 0.950 245 K CA -1.379 54.859 56.287 -0.082 0.000 0.849 245 K CB 1.408 33.869 32.500 -0.066 0.000 1.100 245 K HN 0.298 nan 8.250 nan 0.000 0.434 246 F N 3.371 122.599 119.950 -1.203 0.000 2.557 246 F HA 0.208 4.735 4.527 -0.000 0.000 0.384 246 F C -1.085 174.126 175.800 -0.980 0.000 1.057 246 F CA 0.037 57.037 58.000 -1.667 0.000 1.169 246 F CB 0.358 38.832 39.000 -0.877 0.000 1.070 246 F HN 0.221 nan 8.300 nan 0.000 0.554 247 V N 9.108 128.101 119.914 -1.534 0.000 2.447 247 V HA 0.330 4.450 4.120 -0.000 0.000 0.292 247 V C -2.173 173.330 176.094 -0.985 0.000 1.021 247 V CA -1.601 59.969 62.300 -1.217 0.000 0.850 247 V CB 1.762 32.872 31.823 -1.188 0.000 1.005 247 V HN 0.641 nan 8.190 nan 0.000 0.426 248 P HA 0.156 nan 4.420 nan 0.000 0.275 248 P C -0.063 177.099 177.300 -0.229 0.000 1.228 248 P CA 0.071 62.916 63.100 -0.425 0.000 0.786 248 P CB 1.059 32.578 31.700 -0.303 0.000 0.927 249 T N 1.525 116.002 114.554 -0.129 0.000 2.913 249 T HA 0.082 4.432 4.350 -0.000 0.000 0.297 249 T C 0.922 175.441 174.700 -0.302 0.000 1.029 249 T CA 0.111 62.090 62.100 -0.201 0.000 1.104 249 T CB 0.126 68.850 68.868 -0.240 0.000 0.964 249 T HN 0.238 nan 8.240 nan 0.000 0.532 250 Q N 1.459 121.126 119.800 -0.222 0.000 2.247 250 Q HA 0.247 4.587 4.340 -0.000 0.000 0.204 250 Q C -0.084 175.758 176.000 -0.263 0.000 0.872 250 Q CA 0.201 55.870 55.803 -0.223 0.000 0.951 250 Q CB -0.131 28.467 28.738 -0.233 0.000 1.099 250 Q HN 0.972 nan 8.270 nan 0.000 0.501 251 H N -2.037 117.017 119.070 -0.027 0.000 2.839 251 H HA -0.176 4.380 4.556 -0.000 0.000 0.298 251 H C -0.916 174.416 175.328 0.008 0.000 1.224 251 H CA 0.504 56.687 56.048 0.225 0.000 1.144 251 H CB -2.351 27.508 29.762 0.161 0.000 1.372 251 H HN 0.464 nan 8.280 nan 0.000 0.408 252 H N 0.969 120.137 119.070 0.163 0.000 3.198 252 H HA 0.062 4.618 4.556 -0.000 0.000 0.255 252 H C 1.780 176.760 175.328 -0.582 0.000 1.729 252 H CA 0.090 56.076 56.048 -0.104 0.000 1.495 252 H CB 0.355 30.099 29.762 -0.030 0.000 1.807 252 H HN 0.529 nan 8.280 nan 0.000 0.554 253 R N 0.758 120.815 120.500 -0.740 0.000 2.120 253 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 253 R C 1.532 177.443 176.300 -0.648 0.000 1.123 253 R CA 1.709 56.974 56.100 -1.393 0.000 0.975 253 R CB -0.509 29.393 30.300 -0.662 0.000 0.866 253 R HN 0.455 nan 8.270 nan 0.000 0.446 254 V N -1.568 118.162 119.914 -0.306 0.000 3.141 254 V HA 0.163 4.283 4.120 -0.000 0.000 0.265 254 V C 2.388 178.395 176.094 -0.146 0.000 1.126 254 V CA 1.079 63.276 62.300 -0.171 0.000 1.141 254 V CB -0.421 31.341 31.823 -0.101 0.000 0.743 254 V HN 0.369 nan 8.190 nan 0.000 0.492 255 A N 1.496 124.219 122.820 -0.162 0.000 2.024 255 A HA -0.086 4.233 4.320 -0.000 0.000 0.220 255 A C 2.291 179.848 177.584 -0.044 0.000 1.164 255 A CA 2.144 54.139 52.037 -0.071 0.000 0.643 255 A CB -0.821 18.170 19.000 -0.014 0.000 0.806 255 A HN 1.281 nan 8.150 nan 0.000 0.451 256 V N -2.143 117.728 119.914 -0.073 0.000 3.380 256 V HA 0.010 4.130 4.120 -0.000 0.000 0.268 256 V C 0.819 176.838 176.094 -0.125 0.000 1.168 256 V CA 1.274 63.548 62.300 -0.042 0.000 1.156 256 V CB -1.052 30.811 31.823 0.065 0.000 0.785 256 V HN 0.797 nan 8.190 nan 0.000 0.487 257 Q N 0.174 119.917 119.800 -0.096 0.000 2.632 257 Q HA 0.466 4.806 4.340 -0.000 0.000 0.352 257 Q C -0.950 175.106 176.000 0.092 0.000 0.821 257 Q CA -0.289 55.490 55.803 -0.040 0.000 1.060 257 Q CB 0.547 29.171 28.738 -0.191 0.000 1.429 257 Q HN 0.464 nan 8.270 nan 0.000 0.391 258 D N 1.282 121.740 120.400 0.098 0.000 2.788 258 D HA 0.261 4.901 4.640 -0.000 0.000 0.247 258 D C -1.900 174.377 176.300 -0.039 0.000 1.236 258 D CA -2.100 51.877 54.000 -0.038 0.000 0.898 258 D CB 2.231 43.005 40.800 -0.043 0.000 1.401 258 D HN -0.018 nan 8.370 nan 0.000 0.549 259 P HA -0.107 nan 4.420 nan 0.000 0.222 259 P C 0.410 177.549 177.300 -0.269 0.000 1.147 259 P CA 0.889 63.782 63.100 -0.344 0.000 0.790 259 P CB 0.117 31.337 31.700 -0.799 0.000 0.780 260 Y N -0.277 120.000 120.300 -0.038 0.000 2.524 260 Y HA 0.477 5.027 4.550 -0.000 0.000 0.266 260 Y C 1.432 177.316 175.900 -0.027 0.000 1.180 260 Y CA -1.354 56.725 58.100 -0.035 0.000 1.244 260 Y CB -1.042 37.383 38.460 -0.058 0.000 1.125 260 Y HN -0.103 nan 8.280 nan 0.000 0.524 261 A N 1.131 124.003 122.820 0.087 0.000 2.498 261 A HA 0.552 4.872 4.320 -0.000 0.000 0.239 261 A C 0.607 178.219 177.584 0.047 0.000 1.068 261 A CA 0.032 52.098 52.037 0.049 0.000 0.766 261 A CB -0.068 18.950 19.000 0.030 0.000 1.003 261 A HN 0.380 nan 8.150 nan 0.000 0.497 262 A N 1.752 124.589 122.820 0.027 0.000 2.363 262 A HA 0.401 4.721 4.320 -0.000 0.000 0.270 262 A C 1.081 178.687 177.584 0.036 0.000 1.121 262 A CA -0.472 51.580 52.037 0.026 0.000 0.800 262 A CB 0.295 19.300 19.000 0.009 0.000 1.052 262 A HN 0.900 nan 8.150 nan 0.000 0.493 263 Q N 1.672 121.495 119.800 0.039 0.000 2.197 263 Q HA -0.251 4.088 4.340 -0.000 0.000 0.207 263 Q C 2.333 178.370 176.000 0.062 0.000 0.984 263 Q CA 1.814 57.645 55.803 0.047 0.000 0.869 263 Q CB -0.436 28.326 28.738 0.040 0.000 0.906 263 Q HN 0.942 nan 8.270 nan 0.000 0.426 264 A N 1.523 124.376 122.820 0.055 0.000 1.908 264 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 264 A C 1.739 179.380 177.584 0.096 0.000 1.181 264 A CA 1.888 53.967 52.037 0.069 0.000 0.627 264 A CB -0.360 18.668 19.000 0.045 0.000 0.818 264 A HN 0.237 nan 8.150 nan 0.000 0.445 265 D N -0.970 119.481 120.400 0.085 0.000 2.123 265 D HA -0.073 4.567 4.640 -0.000 0.000 0.200 265 D C 2.316 178.713 176.300 0.161 0.000 0.976 265 D CA 1.499 55.577 54.000 0.130 0.000 0.831 265 D CB -0.334 40.496 40.800 0.050 0.000 0.974 265 D HN 0.410 nan 8.370 nan 0.000 0.469 266 S N 0.303 116.073 115.700 0.118 0.000 2.368 266 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 266 S C 1.734 176.439 174.600 0.175 0.000 1.029 266 S CA 1.082 59.364 58.200 0.137 0.000 0.988 266 S CB -0.076 63.175 63.200 0.085 0.000 0.838 266 S HN 0.196 nan 8.310 nan 0.000 0.462 267 E N 1.108 121.392 120.200 0.141 0.000 2.085 267 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 267 E C 2.129 178.852 176.600 0.205 0.000 0.994 267 E CA 1.130 57.618 56.400 0.146 0.000 0.801 267 E CB -0.375 29.400 29.700 0.125 0.000 0.743 267 E HN 0.618 nan 8.360 nan 0.000 0.453 268 N N 0.274 119.101 118.700 0.212 0.000 2.223 268 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 268 N C 1.719 177.358 175.510 0.215 0.000 1.016 268 N CA 0.701 53.874 53.050 0.205 0.000 0.863 268 N CB -0.050 38.531 38.487 0.156 0.000 0.983 268 N HN 0.066 nan 8.380 nan 0.000 0.429 269 F N 1.731 121.721 119.950 0.067 0.000 2.163 269 F HA -0.065 4.462 4.527 -0.000 0.000 0.297 269 F C 2.677 178.515 175.800 0.065 0.000 1.094 269 F CA 1.875 59.881 58.000 0.010 0.000 1.290 269 F CB -0.688 38.288 39.000 -0.040 0.000 1.017 269 F HN 0.081 nan 8.300 nan 0.000 0.483 270 T N -3.279 111.336 114.554 0.103 0.000 3.057 270 T HA 0.069 4.419 4.350 -0.000 0.000 0.254 270 T C 1.640 176.361 174.700 0.034 0.000 1.094 270 T CA 0.658 62.772 62.100 0.023 0.000 1.088 270 T CB -0.085 68.830 68.868 0.078 0.000 0.934 270 T HN 0.233 nan 8.240 nan 0.000 0.497 271 K N 0.616 121.082 120.400 0.110 0.000 2.399 271 K HA 0.336 4.656 4.320 -0.000 0.000 0.196 271 K C 1.351 178.199 176.600 0.414 0.000 1.117 271 K CA -0.006 56.370 56.287 0.148 0.000 0.965 271 K CB 0.401 32.913 32.500 0.020 0.000 0.983 271 K HN 0.359 nan 8.250 nan 0.000 0.531 272 G N 1.198 110.227 108.800 0.382 0.000 2.432 272 G HA2 0.001 3.961 3.960 -0.000 0.000 0.239 272 G HA3 0.001 3.961 3.960 -0.000 0.000 0.239 272 G C -0.909 174.221 174.900 0.384 0.000 1.291 272 G CA -0.355 44.946 45.100 0.335 0.000 0.863 272 G HN 0.062 nan 8.290 nan 0.000 0.560 273 W N 2.065 123.411 121.300 0.078 0.000 2.238 273 W HA 0.359 5.018 4.660 -0.000 0.000 0.321 273 W C 1.040 177.622 176.519 0.105 0.000 1.293 273 W CA -1.071 56.368 57.345 0.157 0.000 1.204 273 W CB 0.195 29.862 29.460 0.344 0.000 1.167 273 W HN 0.547 nan 8.180 nan 0.000 0.553 274 F N 2.298 122.284 119.950 0.061 0.000 2.069 274 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 274 F C 1.036 176.865 175.800 0.047 0.000 1.113 274 F CA 2.411 60.345 58.000 -0.110 0.000 1.214 274 F CB -0.070 38.666 39.000 -0.439 0.000 0.978 274 F HN 0.008 nan 8.300 nan 0.000 0.474 275 V N -3.612 116.465 119.914 0.272 0.000 3.206 275 V HA 0.318 4.438 4.120 -0.000 0.000 0.305 275 V C 0.708 176.848 176.094 0.077 0.000 1.257 275 V CA -0.653 61.740 62.300 0.154 0.000 1.057 275 V CB 1.288 33.154 31.823 0.072 0.000 1.075 275 V HN 0.085 nan 8.190 nan 0.000 0.443 276 E N 1.299 121.188 120.200 -0.518 0.000 2.160 276 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 276 E C 1.702 178.241 176.600 -0.101 0.000 0.991 276 E CA 1.939 57.784 56.400 -0.924 0.000 0.810 276 E CB -0.386 28.581 29.700 -1.222 0.000 0.742 276 E HN 1.080 nan 8.360 nan 0.000 0.466 277 G N -0.242 108.528 108.800 -0.050 0.000 2.920 277 G HA2 0.030 3.990 3.960 -0.000 0.000 0.208 277 G HA3 0.030 3.990 3.960 -0.000 0.000 0.208 277 G C 0.500 175.417 174.900 0.029 0.000 1.159 277 G CA -0.229 44.882 45.100 0.019 0.000 0.784 277 G HN 0.114 nan 8.290 nan 0.000 0.535 278 M N 1.250 120.868 119.600 0.030 0.000 2.236 278 M HA 0.258 4.738 4.480 -0.000 0.000 0.228 278 M C -2.784 173.281 176.300 -0.391 0.000 0.906 278 M CA -1.735 53.502 55.300 -0.105 0.000 0.761 278 M CB 2.380 34.852 32.600 -0.213 0.000 1.439 278 M HN -0.227 nan 8.290 nan 0.000 0.394 279 P HA -0.058 nan 4.420 nan 0.000 0.264 279 P C -0.873 175.846 177.300 -0.968 0.000 1.183 279 P CA 0.448 62.596 63.100 -1.586 0.000 0.763 279 P CB 0.415 31.657 31.700 -0.764 0.000 0.807 280 D N 2.545 122.217 120.400 -1.215 0.000 2.280 280 D HA 0.221 4.861 4.640 -0.000 0.000 0.243 280 D C -0.291 175.813 176.300 -0.326 0.000 1.129 280 D CA -0.340 53.358 54.000 -0.504 0.000 0.848 280 D CB 0.276 40.901 40.800 -0.291 0.000 1.107 280 D HN 0.191 nan 8.370 nan 0.000 0.471 281 L N 3.701 124.757 121.223 -0.277 0.000 2.410 281 L HA 0.143 4.483 4.340 -0.000 0.000 0.273 281 L C 0.626 177.264 176.870 -0.385 0.000 1.152 281 L CA -0.356 54.269 54.840 -0.357 0.000 0.855 281 L CB 0.334 42.171 42.059 -0.370 0.000 1.129 281 L HN 0.464 nan 8.230 nan 0.000 0.463 282 N N 3.048 121.483 118.700 -0.441 0.000 2.605 282 N HA 0.032 4.772 4.740 -0.000 0.000 0.258 282 N C 0.533 175.759 175.510 -0.473 0.000 1.156 282 N CA 0.146 52.964 53.050 -0.388 0.000 1.008 282 N CB 0.618 38.909 38.487 -0.327 0.000 1.354 282 N HN 0.515 nan 8.380 nan 0.000 0.509 283 Q N 0.259 119.784 119.800 -0.459 0.000 2.482 283 Q HA -0.032 4.308 4.340 -0.000 0.000 0.209 283 Q C 1.395 177.218 176.000 -0.295 0.000 0.961 283 Q CA 0.921 56.387 55.803 -0.562 0.000 0.945 283 Q CB 0.257 28.458 28.738 -0.894 0.000 1.012 283 Q HN 0.718 nan 8.270 nan 0.000 0.515 284 T N -2.268 112.156 114.554 -0.216 0.000 3.055 284 T HA -0.040 4.310 4.350 -0.000 0.000 0.265 284 T C 0.879 175.490 174.700 -0.148 0.000 1.111 284 T CA -0.047 61.980 62.100 -0.122 0.000 1.118 284 T CB -0.007 68.804 68.868 -0.095 0.000 0.909 284 T HN 0.009 nan 8.240 nan 0.000 0.501 285 N N 2.862 121.419 118.700 -0.238 0.000 2.420 285 N HA 0.174 4.914 4.740 -0.000 0.000 0.262 285 N C -1.990 173.375 175.510 -0.242 0.000 1.144 285 N CA -2.070 50.829 53.050 -0.252 0.000 0.952 285 N CB 1.718 39.996 38.487 -0.348 0.000 1.081 285 N HN 0.041 nan 8.380 nan 0.000 0.480 286 P HA -0.107 nan 4.420 nan 0.000 0.219 286 P C 1.408 178.633 177.300 -0.124 0.000 1.146 286 P CA 1.029 64.069 63.100 -0.100 0.000 0.808 286 P CB 0.329 31.990 31.700 -0.065 0.000 0.779 287 L N -1.659 119.435 121.223 -0.216 0.000 2.093 287 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 287 L C 2.385 179.141 176.870 -0.190 0.000 1.085 287 L CA 1.121 55.848 54.840 -0.188 0.000 0.755 287 L CB -1.072 40.786 42.059 -0.335 0.000 0.904 287 L HN -0.127 nan 8.230 nan 0.000 0.435 288 V N 0.188 119.745 119.914 -0.595 0.000 2.270 288 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 288 V C 2.815 178.720 176.094 -0.315 0.000 1.043 288 V CA 1.769 63.590 62.300 -0.798 0.000 1.014 288 V CB -0.863 30.286 31.823 -1.124 0.000 0.645 288 V HN 0.456 nan 8.190 nan 0.000 0.447 289 A N 0.694 123.377 122.820 -0.229 0.000 1.873 289 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 289 A C 2.057 179.781 177.584 0.234 0.000 1.193 289 A CA 2.394 54.481 52.037 0.084 0.000 0.629 289 A CB -0.844 18.297 19.000 0.234 0.000 0.826 289 A HN 0.603 nan 8.150 nan 0.000 0.447 290 N N -1.559 117.225 118.700 0.141 0.000 2.104 290 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 290 N C 1.578 177.217 175.510 0.215 0.000 1.024 290 N CA 1.733 54.876 53.050 0.156 0.000 0.853 290 N CB -0.691 37.871 38.487 0.125 0.000 1.008 290 N HN 0.696 nan 8.380 nan 0.000 0.424 291 Y N 1.574 121.963 120.300 0.149 0.000 2.128 291 Y HA -0.129 4.421 4.550 -0.000 0.000 0.284 291 Y C 2.219 178.260 175.900 0.235 0.000 1.154 291 Y CA 1.482 59.725 58.100 0.240 0.000 1.149 291 Y CB -0.366 38.272 38.460 0.297 0.000 0.976 291 Y HN -0.027 nan 8.280 nan 0.000 0.505 292 L N -0.568 120.860 121.223 0.343 0.000 2.027 292 L HA -0.215 4.125 4.340 -0.000 0.000 0.206 292 L C 2.419 179.490 176.870 0.336 0.000 1.074 292 L CA 1.393 56.404 54.840 0.285 0.000 0.745 292 L CB -0.568 41.655 42.059 0.273 0.000 0.898 292 L HN 0.265 nan 8.230 nan 0.000 0.433 293 I N -0.466 120.343 120.570 0.399 0.000 2.163 293 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 293 I C 2.663 178.919 176.117 0.232 0.000 1.085 293 I CA 1.500 62.975 61.300 0.293 0.000 1.347 293 I CB -0.319 37.787 38.000 0.177 0.000 1.044 293 I HN 0.346 nan 8.210 nan 0.000 0.408 294 Q N 0.187 120.112 119.800 0.208 0.000 2.119 294 Q HA -0.212 4.128 4.340 -0.000 0.000 0.201 294 Q C 2.110 178.344 176.000 0.390 0.000 0.972 294 Q CA 1.490 57.479 55.803 0.310 0.000 0.847 294 Q CB -0.371 28.409 28.738 0.070 0.000 0.903 294 Q HN 0.531 nan 8.270 nan 0.000 0.433 295 N N 0.912 119.682 118.700 0.118 0.000 2.120 295 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 295 N C 1.224 176.890 175.510 0.260 0.000 1.024 295 N CA 1.332 54.349 53.050 -0.055 0.000 0.852 295 N CB 0.037 38.244 38.487 -0.466 0.000 1.003 295 N HN 0.174 nan 8.380 nan 0.000 0.424 296 N N 0.968 119.860 118.700 0.319 0.000 2.188 296 N HA 0.007 4.747 4.740 -0.000 0.000 0.184 296 N C 1.892 177.629 175.510 0.379 0.000 1.018 296 N CA 0.589 53.881 53.050 0.403 0.000 0.858 296 N CB -0.258 38.466 38.487 0.395 0.000 0.989 296 N HN 0.353 nan 8.380 nan 0.000 0.426 297 I N -0.830 119.954 120.570 0.355 0.000 2.226 297 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 297 I C 2.120 178.400 176.117 0.270 0.000 1.100 297 I CA 0.872 62.368 61.300 0.326 0.000 1.374 297 I CB -0.168 38.043 38.000 0.353 0.000 1.057 297 I HN 0.245 nan 8.210 nan 0.000 0.413 298 W N 0.963 122.411 121.300 0.247 0.000 2.335 298 W HA -0.248 4.412 4.660 -0.000 0.000 0.311 298 W C 2.166 178.809 176.519 0.207 0.000 1.213 298 W CA 1.508 59.002 57.345 0.248 0.000 1.274 298 W CB -0.558 29.103 29.460 0.334 0.000 1.148 298 W HN 0.092 nan 8.180 nan 0.000 0.498 299 W N 0.082 121.658 121.300 0.460 0.000 2.358 299 W HA -0.154 4.506 4.660 -0.000 0.000 0.303 299 W C 2.312 178.887 176.519 0.092 0.000 1.208 299 W CA 1.277 58.803 57.345 0.302 0.000 1.274 299 W CB -0.724 28.934 29.460 0.330 0.000 1.138 299 W HN -0.194 nan 8.180 nan 0.000 0.515 300 I N -0.102 120.605 120.570 0.228 0.000 2.179 300 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 300 I C 2.330 178.329 176.117 -0.196 0.000 1.088 300 I CA 1.655 62.918 61.300 -0.062 0.000 1.357 300 I CB -0.512 37.297 38.000 -0.318 0.000 1.051 300 I HN -0.092 nan 8.210 nan 0.000 0.409 301 E N 0.107 120.127 120.200 -0.300 0.000 2.107 301 E HA -0.249 4.101 4.350 -0.000 0.000 0.191 301 E C 2.057 178.473 176.600 -0.307 0.000 0.982 301 E CA 1.189 57.250 56.400 -0.565 0.000 0.809 301 E CB -0.253 28.581 29.700 -1.443 0.000 0.756 301 E HN 0.487 nan 8.360 nan 0.000 0.459 302 Y N -0.110 120.013 120.300 -0.294 0.000 2.220 302 Y HA 0.081 4.630 4.550 -0.000 0.000 0.291 302 Y C 1.772 177.676 175.900 0.006 0.000 1.129 302 Y CA 1.668 59.726 58.100 -0.070 0.000 1.161 302 Y CB -0.399 37.749 38.460 -0.520 0.000 0.997 302 Y HN 0.071 nan 8.280 nan 0.000 0.522 303 A N -0.690 122.098 122.820 -0.053 0.000 2.308 303 A HA 0.404 4.724 4.320 -0.000 0.000 0.217 303 A C 1.574 179.072 177.584 -0.144 0.000 1.216 303 A CA 0.460 52.428 52.037 -0.115 0.000 0.864 303 A CB -1.049 18.086 19.000 0.225 0.000 0.902 303 A HN 0.867 nan 8.150 nan 0.000 0.499 304 G N 0.226 108.953 108.800 -0.122 0.000 2.314 304 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.292 304 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.292 304 G C 0.011 174.832 174.900 -0.131 0.000 1.059 304 G CA 0.367 45.385 45.100 -0.136 0.000 0.982 304 G HN 0.472 nan 8.290 nan 0.000 0.505 305 L N -0.377 120.776 121.223 -0.117 0.000 2.452 305 L HA 0.321 4.661 4.340 -0.000 0.000 0.267 305 L C 1.589 178.400 176.870 -0.098 0.000 1.188 305 L CA 0.048 54.839 54.840 -0.081 0.000 0.821 305 L CB 1.115 43.162 42.059 -0.019 0.000 1.102 305 L HN 0.176 nan 8.230 nan 0.000 0.470 306 S N 0.218 115.905 115.700 -0.022 0.000 2.556 306 S HA 0.361 4.831 4.470 -0.000 0.000 0.216 306 S C 0.418 175.084 174.600 0.110 0.000 0.970 306 S CA 0.319 58.535 58.200 0.026 0.000 0.912 306 S CB 0.488 63.733 63.200 0.075 0.000 0.790 306 S HN 0.949 nan 8.310 nan 0.000 0.504 307 G N 0.518 109.387 108.800 0.115 0.000 2.341 307 G HA2 0.395 4.355 3.960 -0.000 0.000 0.293 307 G HA3 0.395 4.355 3.960 -0.000 0.000 0.293 307 G C -2.285 172.731 174.900 0.193 0.000 1.298 307 G CA -1.014 44.208 45.100 0.204 0.000 0.868 307 G HN 0.148 nan 8.290 nan 0.000 0.540 308 L N -0.120 121.234 121.223 0.218 0.000 2.371 308 L HA 0.755 5.095 4.340 -0.000 0.000 0.262 308 L C -0.041 176.846 176.870 0.029 0.000 1.006 308 L CA -1.140 53.762 54.840 0.104 0.000 0.818 308 L CB 2.394 44.532 42.059 0.132 0.000 1.354 308 L HN 0.575 nan 8.230 nan 0.000 0.415 309 R N 2.580 122.980 120.500 -0.166 0.000 2.343 309 R HA 0.586 4.926 4.340 -0.000 0.000 0.320 309 R C -1.465 174.765 176.300 -0.116 0.000 0.956 309 R CA -0.476 55.431 56.100 -0.321 0.000 0.836 309 R CB 1.158 30.886 30.300 -0.953 0.000 1.151 309 R HN 0.622 nan 8.270 nan 0.000 0.450 310 I N 3.686 124.242 120.570 -0.023 0.000 2.330 310 I HA 0.132 4.302 4.170 -0.000 0.000 0.289 310 I C 0.239 176.416 176.117 0.100 0.000 1.001 310 I CA -0.773 60.576 61.300 0.081 0.000 1.193 310 I CB 1.558 39.680 38.000 0.203 0.000 1.345 310 I HN 0.528 nan 8.210 nan 0.000 0.461 311 D N 4.336 124.785 120.400 0.082 0.000 2.368 311 D HA 0.076 4.716 4.640 -0.000 0.000 0.240 311 D C 0.480 176.809 176.300 0.049 0.000 1.169 311 D CA 0.589 54.633 54.000 0.074 0.000 0.906 311 D CB 0.727 41.589 40.800 0.104 0.000 1.187 311 D HN 0.767 nan 8.370 nan 0.000 0.435 312 T N 0.427 115.010 114.554 0.049 0.000 3.639 312 T HA -0.332 4.018 4.350 -0.000 0.000 0.386 312 T C 0.791 175.631 174.700 0.233 0.000 0.764 312 T CA 1.158 63.334 62.100 0.126 0.000 1.954 312 T CB -2.314 66.454 68.868 -0.166 0.000 1.755 312 T HN 0.528 nan 8.240 nan 0.000 0.715 313 Y N 1.826 122.166 120.300 0.067 0.000 2.070 313 Y HA 0.084 4.634 4.550 -0.000 0.000 0.280 313 Y C 2.420 178.169 175.900 -0.252 0.000 1.148 313 Y CA 2.299 60.303 58.100 -0.160 0.000 1.125 313 Y CB -0.828 37.438 38.460 -0.325 0.000 0.975 313 Y HN 0.537 nan 8.280 nan 0.000 0.492 314 G N -2.371 106.324 108.800 -0.175 0.000 2.848 314 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.208 314 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.208 314 G C 0.921 175.810 174.900 -0.018 0.000 1.152 314 G CA 0.220 45.253 45.100 -0.111 0.000 0.789 314 G HN 0.528 nan 8.290 nan 0.000 0.531 315 Y N 1.112 121.270 120.300 -0.236 0.000 2.583 315 Y HA 0.171 4.721 4.550 -0.000 0.000 0.293 315 Y C 1.629 177.382 175.900 -0.245 0.000 1.157 315 Y CA -0.028 57.798 58.100 -0.457 0.000 1.315 315 Y CB 0.262 38.516 38.460 -0.344 0.000 1.021 315 Y HN 0.029 nan 8.280 nan 0.000 0.536 316 S N -0.083 115.562 115.700 -0.092 0.000 2.616 316 S HA 0.069 4.539 4.470 -0.000 0.000 0.277 316 S C -0.540 174.073 174.600 0.022 0.000 1.234 316 S CA -0.992 57.167 58.200 -0.069 0.000 1.028 316 S CB 0.762 63.926 63.200 -0.060 0.000 0.988 316 S HN 0.248 nan 8.310 nan 0.000 0.522 317 D N 0.820 121.256 120.400 0.061 0.000 2.493 317 D HA 0.204 4.844 4.640 -0.000 0.000 0.240 317 D C 1.392 177.829 176.300 0.228 0.000 1.142 317 D CA 0.510 54.585 54.000 0.123 0.000 0.872 317 D CB 0.480 41.328 40.800 0.081 0.000 1.173 317 D HN 0.496 nan 8.370 nan 0.000 0.467 318 G N 3.024 111.954 108.800 0.217 0.000 2.421 318 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 318 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 318 G C 1.440 176.598 174.900 0.431 0.000 1.171 318 G CA 0.793 46.074 45.100 0.301 0.000 0.775 318 G HN 0.640 nan 8.290 nan 0.000 0.543 319 A N 0.483 123.488 122.820 0.309 0.000 1.898 319 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 319 A C 2.162 179.881 177.584 0.224 0.000 1.181 319 A CA 1.598 53.787 52.037 0.253 0.000 0.620 319 A CB -0.571 18.531 19.000 0.171 0.000 0.819 319 A HN 0.485 nan 8.150 nan 0.000 0.442 320 F N 0.793 120.803 119.950 0.100 0.000 2.095 320 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 320 F C 1.800 177.680 175.800 0.134 0.000 1.104 320 F CA 1.859 59.903 58.000 0.074 0.000 1.232 320 F CB -0.382 38.617 39.000 -0.002 0.000 0.987 320 F HN 0.144 nan 8.300 nan 0.000 0.475 321 L N -0.245 120.923 121.223 -0.092 0.000 2.083 321 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 321 L C 2.399 179.308 176.870 0.066 0.000 1.083 321 L CA 1.790 56.537 54.840 -0.155 0.000 0.752 321 L CB -1.180 40.910 42.059 0.052 0.000 0.899 321 L HN 0.196 nan 8.230 nan 0.000 0.433 322 T N -0.997 113.656 114.554 0.165 0.000 2.684 322 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 322 T C 1.778 176.537 174.700 0.097 0.000 1.036 322 T CA 1.772 63.950 62.100 0.131 0.000 1.148 322 T CB -0.129 68.758 68.868 0.033 0.000 0.863 322 T HN 0.254 nan 8.240 nan 0.000 0.436 323 E N 0.260 120.463 120.200 0.005 0.000 2.072 323 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 323 E C 1.863 178.396 176.600 -0.111 0.000 0.985 323 E CA 1.011 57.385 56.400 -0.044 0.000 0.801 323 E CB -0.513 29.181 29.700 -0.010 0.000 0.750 323 E HN 0.645 nan 8.360 nan 0.000 0.452 324 Y N 1.056 121.119 120.300 -0.395 0.000 2.097 324 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 324 Y C 2.425 178.231 175.900 -0.156 0.000 1.152 324 Y CA 2.979 60.847 58.100 -0.386 0.000 1.136 324 Y CB -0.914 37.053 38.460 -0.822 0.000 0.975 324 Y HN 0.239 nan 8.280 nan 0.000 0.498 325 T N -1.177 113.433 114.554 0.093 0.000 2.821 325 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 325 T C 2.080 176.739 174.700 -0.069 0.000 1.046 325 T CA 1.376 63.539 62.100 0.104 0.000 1.139 325 T CB -0.548 68.508 68.868 0.314 0.000 0.871 325 T HN 0.418 nan 8.240 nan 0.000 0.454 326 R N 0.798 121.192 120.500 -0.178 0.000 2.070 326 R HA -0.060 4.280 4.340 -0.000 0.000 0.233 326 R C 2.806 178.925 176.300 -0.302 0.000 1.137 326 R CA 1.004 56.797 56.100 -0.512 0.000 0.945 326 R CB -0.142 29.863 30.300 -0.491 0.000 0.845 326 R HN 0.236 nan 8.270 nan 0.000 0.430 327 R N 0.455 120.813 120.500 -0.237 0.000 2.083 327 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 327 R C 2.338 178.519 176.300 -0.198 0.000 1.137 327 R CA 1.177 57.152 56.100 -0.207 0.000 0.951 327 R CB -0.864 29.305 30.300 -0.217 0.000 0.851 327 R HN 0.220 nan 8.270 nan 0.000 0.434 328 L N 0.285 121.356 121.223 -0.254 0.000 2.017 328 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 328 L C 2.449 179.291 176.870 -0.046 0.000 1.073 328 L CA 1.542 56.291 54.840 -0.152 0.000 0.745 328 L CB -0.484 41.410 42.059 -0.275 0.000 0.894 328 L HN 0.094 nan 8.230 nan 0.000 0.432 329 M N -1.346 118.205 119.600 -0.081 0.000 2.319 329 M HA -0.038 4.442 4.480 -0.000 0.000 0.265 329 M C 2.395 178.645 176.300 -0.083 0.000 1.068 329 M CA 1.445 56.719 55.300 -0.044 0.000 1.118 329 M CB -1.543 31.042 32.600 -0.025 0.000 1.395 329 M HN 0.292 nan 8.290 nan 0.000 0.435 330 A N 0.155 122.894 122.820 -0.135 0.000 1.898 330 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 330 A C 2.125 179.606 177.584 -0.173 0.000 1.181 330 A CA 1.279 53.238 52.037 -0.130 0.000 0.620 330 A CB -0.351 18.579 19.000 -0.117 0.000 0.819 330 A HN 0.377 nan 8.150 nan 0.000 0.442 331 E N -0.971 119.066 120.200 -0.272 0.000 2.072 331 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 331 E C -0.377 175.794 176.600 -0.716 0.000 0.985 331 E CA 0.972 57.025 56.400 -0.578 0.000 0.801 331 E CB -0.202 28.968 29.700 -0.883 0.000 0.750 331 E HN 0.741 nan 8.360 nan 0.000 0.452 332 Y N -0.555 119.700 120.300 -0.075 0.000 2.705 332 Y HA 0.279 4.829 4.550 -0.000 0.000 0.355 332 Y C -1.882 173.976 175.900 -0.069 0.000 1.039 332 Y CA -2.412 55.643 58.100 -0.076 0.000 1.233 332 Y CB 1.451 39.862 38.460 -0.083 0.000 1.103 332 Y HN -0.038 nan 8.280 nan 0.000 0.624 333 P HA -0.067 nan 4.420 nan 0.000 0.225 333 P C 0.879 178.181 177.300 0.002 0.000 1.148 333 P CA 1.353 64.454 63.100 0.003 0.000 0.779 333 P CB 0.342 32.033 31.700 -0.014 0.000 0.780 334 R N -1.664 118.842 120.500 0.009 0.000 2.432 334 R HA 0.209 4.549 4.340 -0.000 0.000 0.260 334 R C 0.371 176.636 176.300 -0.058 0.000 0.935 334 R CA -0.598 55.487 56.100 -0.025 0.000 1.080 334 R CB -0.188 30.099 30.300 -0.022 0.000 1.155 334 R HN 0.180 nan 8.270 nan 0.000 0.531 335 L N 1.330 122.533 121.223 -0.033 0.000 2.473 335 L HA 0.101 4.441 4.340 -0.000 0.000 0.268 335 L C -0.012 176.738 176.870 -0.199 0.000 1.215 335 L CA 0.442 55.227 54.840 -0.092 0.000 0.823 335 L CB 0.451 42.495 42.059 -0.026 0.000 1.099 335 L HN -0.060 nan 8.230 nan 0.000 0.483 336 N N 3.220 121.693 118.700 -0.378 0.000 2.319 336 N HA 0.595 5.335 4.740 -0.000 0.000 0.305 336 N C -1.567 173.710 175.510 -0.388 0.000 1.103 336 N CA -0.424 52.265 53.050 -0.602 0.000 0.815 336 N CB 1.421 39.080 38.487 -1.379 0.000 1.288 336 N HN 0.545 nan 8.380 nan 0.000 0.493 337 M N 1.798 121.291 119.600 -0.179 0.000 2.326 337 M HA 0.301 4.781 4.480 -0.000 0.000 0.292 337 M C -1.112 175.224 176.300 0.060 0.000 1.081 337 M CA -1.042 54.285 55.300 0.045 0.000 0.919 337 M CB 2.537 35.191 32.600 0.091 0.000 1.634 337 M HN 0.150 nan 8.290 nan 0.000 0.451 338 V N 2.872 122.862 119.914 0.126 0.000 2.334 338 V HA 0.798 4.918 4.120 -0.000 0.000 0.281 338 V C -0.004 176.046 176.094 -0.073 0.000 1.016 338 V CA -0.084 62.241 62.300 0.041 0.000 0.832 338 V CB 1.379 33.260 31.823 0.097 0.000 0.999 338 V HN 0.947 nan 8.190 nan 0.000 0.439 339 G N 4.495 113.188 108.800 -0.177 0.000 2.444 339 G HA2 0.333 4.293 3.960 -0.000 0.000 0.268 339 G HA3 0.333 4.293 3.960 -0.000 0.000 0.268 339 G C -0.389 174.451 174.900 -0.099 0.000 1.203 339 G CA -0.339 44.593 45.100 -0.280 0.000 0.835 339 G HN 0.754 nan 8.290 nan 0.000 0.543 340 Q N 0.952 120.775 119.800 0.039 0.000 2.571 340 Q HA 0.158 4.498 4.340 -0.000 0.000 0.222 340 Q C -0.738 175.408 176.000 0.242 0.000 1.167 340 Q CA -0.441 55.452 55.803 0.150 0.000 0.966 340 Q CB 0.678 29.504 28.738 0.148 0.000 1.274 340 Q HN 0.521 nan 8.270 nan 0.000 0.552 341 E N 3.924 124.261 120.200 0.228 0.000 2.028 341 E HA 0.064 4.414 4.350 -0.000 0.000 0.266 341 E C -1.592 175.214 176.600 0.345 0.000 0.962 341 E CA -0.394 56.181 56.400 0.292 0.000 0.784 341 E CB 0.095 29.957 29.700 0.271 0.000 1.114 341 E HN 0.472 nan 8.360 nan 0.000 0.414 342 W N 4.805 126.210 121.300 0.174 0.000 2.081 342 W HA 0.328 4.988 4.660 -0.000 0.000 0.433 342 W C -0.387 176.006 176.519 -0.210 0.000 0.876 342 W CA -0.095 57.274 57.345 0.040 0.000 1.631 342 W CB 0.103 29.626 29.460 0.106 0.000 1.757 342 W HN 0.385 nan 8.180 nan 0.000 0.298 343 S N 2.022 117.473 115.700 -0.415 0.000 2.541 343 S HA 0.343 4.813 4.470 -0.000 0.000 0.280 343 S C 0.536 174.793 174.600 -0.571 0.000 1.112 343 S CA -0.588 57.310 58.200 -0.503 0.000 0.925 343 S CB 1.701 64.827 63.200 -0.123 0.000 1.067 343 S HN 0.079 nan 8.310 nan 0.000 0.479 344 T N 3.396 117.612 114.554 -0.563 0.000 3.169 344 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 344 T C 0.406 175.097 174.700 -0.013 0.000 1.111 344 T CA 0.371 62.427 62.100 -0.072 0.000 1.010 344 T CB -0.176 68.740 68.868 0.080 0.000 0.984 344 T HN 0.405 nan 8.240 nan 0.000 0.537 345 R N 0.927 121.391 120.500 -0.059 0.000 2.207 345 R HA 0.338 4.678 4.340 -0.000 0.000 0.334 345 R C 1.046 177.334 176.300 -0.020 0.000 1.013 345 R CA -0.348 55.729 56.100 -0.038 0.000 0.858 345 R CB 1.095 31.360 30.300 -0.058 0.000 1.094 345 R HN 0.018 nan 8.270 nan 0.000 0.457 346 V N 5.486 125.382 119.914 -0.030 0.000 2.278 346 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 346 V C -0.934 175.044 176.094 -0.193 0.000 1.062 346 V CA 1.892 64.143 62.300 -0.082 0.000 1.038 346 V CB -0.932 30.802 31.823 -0.148 0.000 0.646 346 V HN 0.673 nan 8.190 nan 0.000 0.447 347 P HA -0.095 nan 4.420 nan 0.000 0.218 347 P C 1.852 179.074 177.300 -0.130 0.000 1.148 347 P CA 1.157 64.145 63.100 -0.186 0.000 0.822 347 P CB -0.071 31.542 31.700 -0.144 0.000 0.784 348 V N -0.783 119.090 119.914 -0.068 0.000 2.427 348 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 348 V C 2.389 178.549 176.094 0.111 0.000 1.051 348 V CA 1.597 63.891 62.300 -0.010 0.000 1.048 348 V CB -1.023 30.806 31.823 0.009 0.000 0.666 348 V HN -0.020 nan 8.190 nan 0.000 0.456 349 V N 0.338 120.345 119.914 0.155 0.000 2.323 349 V HA -0.142 3.978 4.120 -0.000 0.000 0.244 349 V C 2.682 178.965 176.094 0.316 0.000 1.041 349 V CA 1.786 64.284 62.300 0.329 0.000 1.025 349 V CB -1.040 30.994 31.823 0.353 0.000 0.656 349 V HN 0.529 nan 8.190 nan 0.000 0.451 350 A N 0.010 122.860 122.820 0.051 0.000 2.019 350 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 350 A C 2.363 179.947 177.584 -0.000 0.000 1.164 350 A CA 1.436 53.433 52.037 -0.067 0.000 0.644 350 A CB -0.615 18.023 19.000 -0.604 0.000 0.805 350 A HN 0.371 nan 8.150 nan 0.000 0.449 351 R N -0.815 119.622 120.500 -0.105 0.000 2.154 351 R HA -0.216 4.124 4.340 -0.000 0.000 0.248 351 R C 1.408 177.622 176.300 -0.145 0.000 1.155 351 R CA 1.988 57.945 56.100 -0.238 0.000 0.979 351 R CB -0.414 29.568 30.300 -0.530 0.000 0.869 351 R HN 0.778 nan 8.270 nan 0.000 0.452 352 W N 0.594 121.983 121.300 0.149 0.000 3.003 352 W HA 0.167 4.826 4.660 -0.000 0.000 0.257 352 W C 0.961 177.551 176.519 0.118 0.000 1.308 352 W CA -0.571 56.889 57.345 0.192 0.000 1.529 352 W CB 0.246 29.785 29.460 0.131 0.000 1.115 352 W HN 0.095 nan 8.180 nan 0.000 0.659 353 Q N 1.997 121.969 119.800 0.287 0.000 2.288 353 Q HA 0.120 4.460 4.340 -0.000 0.000 0.254 353 Q C 0.642 176.710 176.000 0.114 0.000 0.932 353 Q CA -0.634 55.282 55.803 0.188 0.000 0.902 353 Q CB 0.749 29.608 28.738 0.202 0.000 1.203 353 Q HN -0.049 nan 8.270 nan 0.000 0.415 354 R N 2.104 122.646 120.500 0.071 0.000 2.523 354 R HA -0.035 4.305 4.340 -0.000 0.000 0.281 354 R C 0.564 176.864 176.300 0.000 0.000 0.969 354 R CA 1.576 57.678 56.100 0.003 0.000 1.093 354 R CB -0.228 30.080 30.300 0.015 0.000 0.917 354 R HN 0.979 nan 8.270 nan 0.000 0.408 355 G N 2.908 111.684 108.800 -0.039 0.000 2.213 355 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 355 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 355 G C -0.128 174.765 174.900 -0.012 0.000 0.992 355 G CA 0.260 45.347 45.100 -0.021 0.000 0.632 355 G HN 0.621 nan 8.290 nan 0.000 0.511 356 K N 1.698 122.096 120.400 -0.005 0.000 2.368 356 K HA 0.660 4.980 4.320 -0.000 0.000 0.282 356 K C 0.531 177.118 176.600 -0.022 0.000 1.035 356 K CA 0.556 56.843 56.287 0.000 0.000 0.973 356 K CB 0.786 33.294 32.500 0.014 0.000 0.957 356 K HN 0.854 nan 8.250 nan 0.000 0.474 357 A N 5.166 127.979 122.820 -0.013 0.000 2.415 357 A HA 0.259 4.579 4.320 -0.000 0.000 0.309 357 A C -0.673 176.907 177.584 -0.008 0.000 1.356 357 A CA -0.548 51.479 52.037 -0.016 0.000 0.998 357 A CB -0.613 18.385 19.000 -0.004 0.000 1.145 357 A HN 0.935 nan 8.150 nan 0.000 0.545 358 N N 0.925 119.607 118.700 -0.030 0.000 2.509 358 N HA 0.399 5.139 4.740 -0.000 0.000 0.287 358 N C 0.808 176.282 175.510 -0.059 0.000 1.121 358 N CA -0.483 52.546 53.050 -0.035 0.000 0.977 358 N CB 0.690 39.127 38.487 -0.085 0.000 1.167 358 N HN 0.676 nan 8.380 nan 0.000 0.476 359 F N 0.730 120.642 119.950 -0.064 0.000 2.269 359 F HA -0.074 4.453 4.527 -0.000 0.000 0.301 359 F C 1.272 177.040 175.800 -0.052 0.000 1.082 359 F CA 0.742 58.703 58.000 -0.064 0.000 1.360 359 F CB -0.211 38.735 39.000 -0.089 0.000 1.041 359 F HN 0.418 nan 8.300 nan 0.000 0.512 360 D N -1.004 118.810 120.400 -0.976 0.000 2.363 360 D HA 0.204 4.844 4.640 -0.000 0.000 0.214 360 D C 1.820 177.926 176.300 -0.324 0.000 1.093 360 D CA 0.363 53.917 54.000 -0.744 0.000 0.837 360 D CB -0.157 40.011 40.800 -1.054 0.000 0.948 360 D HN 0.470 nan 8.370 nan 0.000 0.507 361 G N 0.328 108.992 108.800 -0.226 0.000 2.162 361 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.260 361 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.260 361 G C -0.086 174.751 174.900 -0.105 0.000 0.976 361 G CA 0.174 45.198 45.100 -0.127 0.000 0.655 361 G HN 0.502 nan 8.290 nan 0.000 0.533 362 Y N 2.413 122.584 120.300 -0.215 0.000 2.632 362 Y HA 0.452 5.002 4.550 -0.000 0.000 0.329 362 Y C 0.607 176.439 175.900 -0.113 0.000 1.174 362 Y CA 1.022 59.027 58.100 -0.160 0.000 1.469 362 Y CB 0.648 38.979 38.460 -0.216 0.000 1.242 362 Y HN 0.116 nan 8.280 nan 0.000 0.540 363 T N 5.605 119.659 114.554 -0.833 0.000 2.823 363 T HA 0.453 4.803 4.350 -0.000 0.000 0.279 363 T C -0.910 173.346 174.700 -0.740 0.000 0.998 363 T CA -0.775 60.962 62.100 -0.605 0.000 0.994 363 T CB 1.280 69.924 68.868 -0.374 0.000 0.960 363 T HN 0.580 nan 8.240 nan 0.000 0.448 364 S N 0.738 116.181 115.700 -0.428 0.000 2.570 364 S HA 0.462 4.932 4.470 -0.000 0.000 0.286 364 S C -0.560 173.861 174.600 -0.298 0.000 1.099 364 S CA -0.647 57.458 58.200 -0.157 0.000 0.913 364 S CB 0.867 64.209 63.200 0.237 0.000 1.085 364 S HN 0.814 nan 8.310 nan 0.000 0.480 365 H N 1.726 120.840 119.070 0.073 0.000 2.592 365 H HA 0.375 4.931 4.556 -0.000 0.000 0.279 365 H C -0.231 175.140 175.328 0.071 0.000 1.089 365 H CA -0.328 55.750 56.048 0.050 0.000 1.150 365 H CB 0.353 30.126 29.762 0.018 0.000 1.575 365 H HN 0.278 nan 8.280 nan 0.000 0.547 366 L N 2.878 124.212 121.223 0.185 0.000 2.433 366 L HA 0.181 4.521 4.340 -0.000 0.000 0.275 366 L C -1.815 175.088 176.870 0.055 0.000 1.128 366 L CA -1.685 53.229 54.840 0.124 0.000 0.875 366 L CB 1.043 43.148 42.059 0.076 0.000 1.171 366 L HN -0.045 nan 8.230 nan 0.000 0.463 367 P HA -0.007 nan 4.420 nan 0.000 0.222 367 P C -0.309 176.973 177.300 -0.030 0.000 1.153 367 P CA 0.575 63.662 63.100 -0.021 0.000 0.798 367 P CB 0.373 32.024 31.700 -0.081 0.000 0.796 368 S N -1.683 113.997 115.700 -0.033 0.000 2.588 368 S HA 0.693 5.163 4.470 -0.000 0.000 0.275 368 S C -1.714 172.872 174.600 -0.022 0.000 1.130 368 S CA -0.637 57.551 58.200 -0.018 0.000 0.855 368 S CB 0.385 63.590 63.200 0.007 0.000 1.116 368 S HN -0.204 nan 8.310 nan 0.000 0.472 369 L N 2.329 123.556 121.223 0.006 0.000 2.359 369 L HA 0.628 4.968 4.340 -0.000 0.000 0.256 369 L C -0.555 176.370 176.870 0.091 0.000 1.026 369 L CA -0.790 54.068 54.840 0.030 0.000 0.828 369 L CB 1.795 43.913 42.059 0.100 0.000 1.406 369 L HN 0.555 nan 8.230 nan 0.000 0.413 370 M N 1.400 121.089 119.600 0.149 0.000 2.217 370 M HA 0.070 4.550 4.480 -0.000 0.000 0.352 370 M C -0.116 176.417 176.300 0.389 0.000 1.376 370 M CA -0.041 55.437 55.300 0.296 0.000 1.107 370 M CB 0.105 32.866 32.600 0.268 0.000 1.723 370 M HN 0.411 nan 8.290 nan 0.000 0.461 371 D N 3.118 123.747 120.400 0.381 0.000 2.688 371 D HA 0.018 4.658 4.640 -0.000 0.000 0.228 371 D C 0.980 177.383 176.300 0.173 0.000 1.116 371 D CA -0.056 54.060 54.000 0.193 0.000 1.023 371 D CB -0.513 40.295 40.800 0.013 0.000 1.100 371 D HN 0.505 nan 8.370 nan 0.000 0.487 372 F N 1.976 122.046 119.950 0.200 0.000 2.126 372 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 372 F C -0.921 174.843 175.800 -0.060 0.000 1.096 372 F CA 0.907 58.949 58.000 0.071 0.000 1.255 372 F CB -0.427 38.526 39.000 -0.078 0.000 0.997 372 F HN 0.265 nan 8.300 nan 0.000 0.479 373 P HA -0.207 nan 4.420 nan 0.000 0.215 373 P C 1.717 179.059 177.300 0.069 0.000 1.153 373 P CA 1.324 64.539 63.100 0.192 0.000 0.853 373 P CB -0.077 31.720 31.700 0.162 0.000 0.788 374 L N -1.022 120.226 121.223 0.042 0.000 2.131 374 L HA -0.052 4.288 4.340 -0.000 0.000 0.206 374 L C 2.144 178.995 176.870 -0.031 0.000 1.087 374 L CA 1.506 56.372 54.840 0.044 0.000 0.767 374 L CB -1.028 41.088 42.059 0.095 0.000 0.917 374 L HN -0.212 nan 8.230 nan 0.000 0.441 375 V N -0.261 119.522 119.914 -0.218 0.000 2.343 375 V HA -0.300 3.819 4.120 -0.000 0.000 0.247 375 V C 2.277 178.189 176.094 -0.302 0.000 1.051 375 V CA 1.974 64.051 62.300 -0.371 0.000 1.036 375 V CB -0.677 30.625 31.823 -0.870 0.000 0.654 375 V HN 0.517 nan 8.190 nan 0.000 0.451 376 D N 0.173 120.379 120.400 -0.323 0.000 2.117 376 D HA -0.158 4.481 4.640 -0.000 0.000 0.197 376 D C 2.121 178.349 176.300 -0.120 0.000 0.987 376 D CA 1.531 55.398 54.000 -0.221 0.000 0.829 376 D CB -0.157 40.601 40.800 -0.070 0.000 0.961 376 D HN 0.371 nan 8.370 nan 0.000 0.460 377 A N -0.060 122.704 122.820 -0.093 0.000 1.877 377 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 377 A C 2.162 179.649 177.584 -0.161 0.000 1.186 377 A CA 2.014 53.991 52.037 -0.100 0.000 0.620 377 A CB -0.756 18.198 19.000 -0.077 0.000 0.822 377 A HN 0.384 nan 8.150 nan 0.000 0.443 378 M N -0.171 119.307 119.600 -0.204 0.000 2.175 378 M HA -0.044 4.436 4.480 -0.000 0.000 0.264 378 M C 1.987 178.176 176.300 -0.185 0.000 1.063 378 M CA 1.480 56.602 55.300 -0.296 0.000 1.119 378 M CB -0.482 31.843 32.600 -0.458 0.000 1.377 378 M HN 0.372 nan 8.290 nan 0.000 0.415 379 R N -0.322 120.093 120.500 -0.141 0.000 2.092 379 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 379 R C 1.840 178.094 176.300 -0.076 0.000 1.119 379 R CA 1.421 57.465 56.100 -0.093 0.000 0.970 379 R CB -0.629 29.615 30.300 -0.092 0.000 0.864 379 R HN 0.461 nan 8.270 nan 0.000 0.440 380 N N 1.018 119.669 118.700 -0.083 0.000 2.084 380 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 380 N C 1.685 177.151 175.510 -0.073 0.000 1.030 380 N CA 1.569 54.581 53.050 -0.064 0.000 0.849 380 N CB -0.403 38.049 38.487 -0.059 0.000 1.012 380 N HN 0.197 nan 8.380 nan 0.000 0.423 381 A N 0.971 123.727 122.820 -0.107 0.000 1.933 381 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 381 A C 2.320 179.858 177.584 -0.076 0.000 1.175 381 A CA 0.987 52.958 52.037 -0.110 0.000 0.628 381 A CB -0.622 18.275 19.000 -0.172 0.000 0.814 381 A HN 0.230 nan 8.150 nan 0.000 0.444 382 L N -0.953 120.227 121.223 -0.071 0.000 2.179 382 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 382 L C 2.628 179.485 176.870 -0.023 0.000 1.096 382 L CA 1.158 55.976 54.840 -0.038 0.000 0.779 382 L CB -0.240 41.803 42.059 -0.027 0.000 0.922 382 L HN 0.296 nan 8.230 nan 0.000 0.443 383 S N -0.586 115.097 115.700 -0.028 0.000 2.406 383 S HA -0.023 4.447 4.470 -0.000 0.000 0.224 383 S C 1.021 175.611 174.600 -0.017 0.000 1.030 383 S CA 0.675 58.864 58.200 -0.019 0.000 0.958 383 S CB -0.013 63.177 63.200 -0.016 0.000 0.811 383 S HN 0.280 nan 8.310 nan 0.000 0.489 384 K N 2.962 123.348 120.400 -0.023 0.000 2.737 384 K HA 0.090 4.410 4.320 -0.000 0.000 0.251 384 K C 1.027 177.617 176.600 -0.016 0.000 1.280 384 K CA 0.093 56.369 56.287 -0.019 0.000 1.219 384 K CB -0.268 32.218 32.500 -0.024 0.000 1.587 384 K HN 0.406 nan 8.250 nan 0.000 0.279 385 T N -3.064 111.483 114.554 -0.010 0.000 2.929 385 T HA -0.106 4.243 4.350 -0.000 0.000 0.271 385 T C 1.876 176.574 174.700 -0.003 0.000 1.085 385 T CA 1.071 63.168 62.100 -0.005 0.000 1.125 385 T CB 0.006 68.873 68.868 -0.001 0.000 0.874 385 T HN 0.427 nan 8.240 nan 0.000 0.494 386 G N 0.647 109.444 108.800 -0.004 0.000 2.813 386 G HA2 0.122 4.082 3.960 -0.000 0.000 0.209 386 G HA3 0.122 4.082 3.960 -0.000 0.000 0.209 386 G C 0.419 175.316 174.900 -0.004 0.000 1.150 386 G CA -0.358 44.741 45.100 -0.002 0.000 0.785 386 G HN 0.523 nan 8.290 nan 0.000 0.535 387 E N 0.252 120.447 120.200 -0.009 0.000 2.266 387 E HA 0.184 4.534 4.350 -0.000 0.000 0.277 387 E C 0.277 176.870 176.600 -0.011 0.000 1.018 387 E CA -0.287 56.107 56.400 -0.011 0.000 0.840 387 E CB 1.486 31.175 29.700 -0.018 0.000 1.082 387 E HN 0.292 nan 8.360 nan 0.000 0.395 388 E N 1.344 121.538 120.200 -0.009 0.000 2.204 388 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 388 E C 0.608 177.202 176.600 -0.011 0.000 0.989 388 E CA 0.778 57.174 56.400 -0.006 0.000 0.824 388 E CB 0.120 29.818 29.700 -0.003 0.000 0.756 388 E HN 0.218 nan 8.360 nan 0.000 0.477 389 N N -1.053 117.634 118.700 -0.021 0.000 2.622 389 N HA 0.092 4.832 4.740 -0.000 0.000 0.293 389 N C 0.471 175.945 175.510 -0.059 0.000 1.788 389 N CA 0.161 53.190 53.050 -0.036 0.000 0.860 389 N CB 0.636 39.105 38.487 -0.030 0.000 1.388 389 N HN 0.058 nan 8.380 nan 0.000 0.496 390 G N 0.047 108.811 108.800 -0.060 0.000 2.450 390 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 390 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 390 G C 1.314 176.133 174.900 -0.134 0.000 1.130 390 G CA 0.596 45.648 45.100 -0.080 0.000 0.760 390 G HN 0.427 nan 8.290 nan 0.000 0.557 391 L N 0.325 121.449 121.223 -0.165 0.000 2.261 391 L HA -0.112 4.228 4.340 -0.000 0.000 0.216 391 L C 2.585 179.225 176.870 -0.382 0.000 1.114 391 L CA 0.795 55.452 54.840 -0.305 0.000 0.777 391 L CB -0.366 41.517 42.059 -0.293 0.000 0.910 391 L HN 0.220 nan 8.230 nan 0.000 0.440 392 N N 0.408 118.975 118.700 -0.222 0.000 2.192 392 N HA -0.236 4.504 4.740 -0.000 0.000 0.188 392 N C 1.720 177.177 175.510 -0.087 0.000 1.013 392 N CA 1.334 54.311 53.050 -0.121 0.000 0.863 392 N CB 0.063 38.528 38.487 -0.037 0.000 0.990 392 N HN 0.339 nan 8.380 nan 0.000 0.430 393 E N -0.796 119.330 120.200 -0.123 0.000 2.110 393 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 393 E C 1.819 178.340 176.600 -0.132 0.000 0.988 393 E CA 1.080 57.419 56.400 -0.102 0.000 0.804 393 E CB 0.093 29.735 29.700 -0.097 0.000 0.745 393 E HN 0.215 nan 8.360 nan 0.000 0.458 394 V N 0.720 120.487 119.914 -0.244 0.000 2.270 394 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 394 V C 2.090 178.084 176.094 -0.166 0.000 1.043 394 V CA 1.966 64.105 62.300 -0.268 0.000 1.014 394 V CB -0.703 30.791 31.823 -0.549 0.000 0.645 394 V HN 0.328 nan 8.190 nan 0.000 0.447 395 Y N 1.549 121.556 120.300 -0.489 0.000 2.081 395 Y HA -0.269 4.281 4.550 -0.000 0.000 0.280 395 Y C 2.533 178.421 175.900 -0.021 0.000 1.163 395 Y CA 2.236 60.172 58.100 -0.273 0.000 1.135 395 Y CB -0.380 37.787 38.460 -0.489 0.000 0.970 395 Y HN 0.347 nan 8.280 nan 0.000 0.498 396 E N -0.753 119.307 120.200 -0.232 0.000 2.106 396 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 396 E C 2.091 178.626 176.600 -0.108 0.000 0.984 396 E CA 1.670 57.917 56.400 -0.254 0.000 0.806 396 E CB -0.225 29.411 29.700 -0.106 0.000 0.750 396 E HN 0.510 nan 8.360 nan 0.000 0.458 397 T N 1.853 116.380 114.554 -0.045 0.000 2.708 397 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 397 T C 1.991 176.722 174.700 0.052 0.000 1.037 397 T CA 0.747 62.851 62.100 0.007 0.000 1.146 397 T CB -0.245 68.638 68.868 0.025 0.000 0.865 397 T HN 0.095 nan 8.240 nan 0.000 0.435 398 L N 1.556 122.845 121.223 0.111 0.000 2.079 398 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 398 L C 2.826 179.765 176.870 0.115 0.000 1.081 398 L CA 1.540 56.476 54.840 0.160 0.000 0.752 398 L CB -0.590 41.658 42.059 0.315 0.000 0.896 398 L HN 0.413 nan 8.230 nan 0.000 0.433 399 S N -0.352 115.403 115.700 0.091 0.000 2.469 399 S HA -0.131 4.339 4.470 -0.000 0.000 0.238 399 S C 1.600 176.275 174.600 0.125 0.000 0.998 399 S CA 0.724 58.974 58.200 0.083 0.000 0.957 399 S CB -0.498 62.669 63.200 -0.055 0.000 0.764 399 S HN 0.472 nan 8.310 nan 0.000 0.514 400 L N 1.027 122.253 121.223 0.006 0.000 2.627 400 L HA 0.204 4.544 4.340 -0.000 0.000 0.232 400 L C 1.335 178.003 176.870 -0.335 0.000 1.150 400 L CA 0.052 54.748 54.840 -0.239 0.000 0.917 400 L CB -0.410 41.518 42.059 -0.218 0.000 1.104 400 L HN 0.135 nan 8.230 nan 0.000 0.445 401 D N 0.156 120.537 120.400 -0.032 0.000 2.263 401 D HA -0.202 4.438 4.640 -0.000 0.000 0.208 401 D C 1.931 178.266 176.300 0.057 0.000 0.971 401 D CA 1.038 55.105 54.000 0.112 0.000 0.867 401 D CB 0.014 40.881 40.800 0.112 0.000 0.929 401 D HN 0.559 nan 8.370 nan 0.000 0.492 402 Y N -0.505 119.832 120.300 0.061 0.000 2.483 402 Y HA -0.017 4.533 4.550 -0.000 0.000 0.291 402 Y C 1.780 177.681 175.900 0.001 0.000 1.143 402 Y CA 0.503 58.622 58.100 0.032 0.000 1.289 402 Y CB -0.837 37.627 38.460 0.007 0.000 0.983 402 Y HN -0.062 nan 8.280 nan 0.000 0.556 403 L N -0.726 120.100 121.223 -0.662 0.000 2.275 403 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 403 L C 0.016 176.691 176.870 -0.326 0.000 1.119 403 L CA 0.461 54.997 54.840 -0.506 0.000 0.790 403 L CB -0.427 41.204 42.059 -0.712 0.000 0.919 403 L HN 0.205 nan 8.230 nan 0.000 0.443 404 Y N -0.603 119.640 120.300 -0.095 0.000 2.320 404 Y HA 0.208 4.758 4.550 -0.000 0.000 0.334 404 Y C -1.343 174.553 175.900 -0.008 0.000 1.055 404 Y CA -2.485 55.595 58.100 -0.035 0.000 1.143 404 Y CB 0.233 38.676 38.460 -0.027 0.000 1.193 404 Y HN -0.180 nan 8.280 nan 0.000 0.477 405 P HA -0.137 nan 4.420 nan 0.000 0.218 405 P C -0.270 177.080 177.300 0.083 0.000 1.148 405 P CA 1.608 64.766 63.100 0.097 0.000 0.822 405 P CB 0.477 32.218 31.700 0.068 0.000 0.784 406 E N -2.008 118.244 120.200 0.088 0.000 3.544 406 E HA 0.131 4.481 4.350 -0.000 0.000 0.264 406 E C -2.097 174.489 176.600 -0.024 0.000 1.225 406 E CA -1.358 55.057 56.400 0.026 0.000 1.045 406 E CB 0.938 30.639 29.700 0.003 0.000 1.338 406 E HN 0.253 nan 8.360 nan 0.000 0.395 407 P HA -0.209 nan 4.420 nan 0.000 0.220 407 P C 1.363 178.574 177.300 -0.149 0.000 1.148 407 P CA 1.132 64.133 63.100 -0.165 0.000 0.803 407 P CB 0.350 32.019 31.700 -0.052 0.000 0.782 408 Q N -0.305 119.447 119.800 -0.080 0.000 2.437 408 Q HA -0.101 4.239 4.340 -0.000 0.000 0.210 408 Q C 0.977 176.942 176.000 -0.058 0.000 0.972 408 Q CA 1.269 57.032 55.803 -0.067 0.000 0.903 408 Q CB -1.188 27.521 28.738 -0.048 0.000 0.967 408 Q HN 0.215 nan 8.270 nan 0.000 0.486 409 N N 0.360 119.020 118.700 -0.066 0.000 2.336 409 N HA 0.199 4.939 4.740 -0.000 0.000 0.189 409 N C 0.116 175.602 175.510 -0.039 0.000 1.113 409 N CA 0.036 53.055 53.050 -0.052 0.000 0.858 409 N CB 0.362 38.812 38.487 -0.062 0.000 0.970 409 N HN 0.251 nan 8.380 nan 0.000 0.471 410 L N 0.798 121.967 121.223 -0.090 0.000 2.452 410 L HA 0.175 4.515 4.340 -0.000 0.000 0.267 410 L C 0.246 177.126 176.870 0.015 0.000 1.188 410 L CA -0.393 54.397 54.840 -0.084 0.000 0.821 410 L CB 0.898 42.810 42.059 -0.245 0.000 1.102 410 L HN -0.252 nan 8.230 nan 0.000 0.470 411 V N 3.805 123.774 119.914 0.093 0.000 2.385 411 V HA 0.203 4.323 4.120 -0.000 0.000 0.269 411 V C 0.037 176.275 176.094 0.241 0.000 1.043 411 V CA -0.370 62.035 62.300 0.176 0.000 0.906 411 V CB 1.348 33.286 31.823 0.192 0.000 0.995 411 V HN 0.361 nan 8.190 nan 0.000 0.467 412 L N 7.535 128.853 121.223 0.159 0.000 2.325 412 L HA 0.771 5.111 4.340 -0.000 0.000 0.279 412 L C -0.635 176.344 176.870 0.182 0.000 1.054 412 L CA 0.024 54.893 54.840 0.049 0.000 0.804 412 L CB 1.170 43.181 42.059 -0.080 0.000 1.200 412 L HN 0.577 nan 8.230 nan 0.000 0.436 413 F N 1.183 121.194 119.950 0.103 0.000 2.588 413 F HA 0.707 5.234 4.527 -0.000 0.000 0.310 413 F C 0.851 176.717 175.800 0.110 0.000 1.082 413 F CA -0.627 57.450 58.000 0.130 0.000 0.929 413 F CB 1.202 40.283 39.000 0.135 0.000 1.254 413 F HN 0.438 nan 8.300 nan 0.000 0.455 414 G N 0.056 109.017 108.800 0.269 0.000 2.448 414 G HA2 0.422 4.382 3.960 -0.000 0.000 0.218 414 G HA3 0.422 4.382 3.960 -0.000 0.000 0.218 414 G C 0.371 175.363 174.900 0.154 0.000 1.135 414 G CA 0.431 45.617 45.100 0.143 0.000 0.784 414 G HN 1.350 nan 8.290 nan 0.000 0.543 415 G N -0.746 108.228 108.800 0.290 0.000 2.321 415 G HA2 0.473 4.433 3.960 -0.000 0.000 0.296 415 G HA3 0.473 4.433 3.960 -0.000 0.000 0.296 415 G C -1.622 173.296 174.900 0.030 0.000 1.287 415 G CA -0.066 45.164 45.100 0.218 0.000 0.846 415 G HN 0.884 nan 8.290 nan 0.000 0.508 416 N N -3.230 115.266 118.700 -0.339 0.000 3.387 416 N HA 0.257 4.997 4.740 -0.000 0.000 0.294 416 N C 0.586 175.425 175.510 -1.119 0.000 1.519 416 N CA -0.010 52.554 53.050 -0.809 0.000 0.875 416 N CB 0.101 38.354 38.487 -0.390 0.000 1.657 416 N HN 0.741 nan 8.380 nan 0.000 0.527 417 H N -1.871 116.574 119.070 -1.041 0.000 2.563 417 H HA 0.216 4.772 4.556 -0.000 0.000 0.272 417 H C -0.689 174.572 175.328 -0.111 0.000 1.005 417 H CA 0.728 56.479 56.048 -0.496 0.000 1.171 417 H CB -0.205 29.440 29.762 -0.195 0.000 1.351 417 H HN 0.523 nan 8.280 nan 0.000 0.602 418 D N 0.258 120.265 120.400 -0.656 0.000 2.398 418 D HA 0.214 4.854 4.640 -0.000 0.000 0.210 418 D C 0.398 176.476 176.300 -0.370 0.000 1.094 418 D CA 0.150 53.881 54.000 -0.448 0.000 0.839 418 D CB 0.843 41.252 40.800 -0.652 0.000 0.963 418 D HN 0.372 nan 8.370 nan 0.000 0.506 419 M N -0.119 119.094 119.600 -0.645 0.000 2.658 419 M HA 0.557 5.037 4.480 -0.000 0.000 0.295 419 M C -0.341 175.241 176.300 -1.197 0.000 1.248 419 M CA -1.087 53.786 55.300 -0.712 0.000 0.843 419 M CB 2.308 34.780 32.600 -0.214 0.000 1.749 419 M HN -0.256 nan 8.290 nan 0.000 0.464 420 A N 1.412 123.779 122.820 -0.755 0.000 2.586 420 A HA 0.170 4.489 4.320 -0.000 0.000 0.231 420 A C 0.108 177.630 177.584 -0.103 0.000 1.055 420 A CA 0.111 51.960 52.037 -0.314 0.000 0.756 420 A CB 0.117 19.102 19.000 -0.026 0.000 0.988 420 A HN 0.726 nan 8.150 nan 0.000 0.509 421 R N 2.079 122.640 120.500 0.101 0.000 2.585 421 R HA -0.029 4.311 4.340 -0.000 0.000 0.275 421 R C 1.479 177.894 176.300 0.192 0.000 1.018 421 R CA 0.269 56.483 56.100 0.189 0.000 1.072 421 R CB 0.016 30.464 30.300 0.246 0.000 0.953 421 R HN 1.001 nan 8.270 nan 0.000 0.419 422 M N 2.768 122.508 119.600 0.234 0.000 2.103 422 M HA -0.286 4.194 4.480 -0.000 0.000 0.255 422 M C 1.495 178.062 176.300 0.444 0.000 1.074 422 M CA 2.077 57.557 55.300 0.300 0.000 1.090 422 M CB -0.179 32.622 32.600 0.334 0.000 1.325 422 M HN 0.573 nan 8.290 nan 0.000 0.403 423 F N 0.347 120.458 119.950 0.269 0.000 2.186 423 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 423 F C 2.370 178.255 175.800 0.143 0.000 1.090 423 F CA 1.784 59.898 58.000 0.190 0.000 1.307 423 F CB -0.658 38.332 39.000 -0.018 0.000 1.019 423 F HN 0.138 nan 8.300 nan 0.000 0.489 424 S N 0.151 115.901 115.700 0.083 0.000 2.383 424 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 424 S C 2.288 176.877 174.600 -0.020 0.000 1.026 424 S CA 0.931 59.110 58.200 -0.035 0.000 0.981 424 S CB -0.719 62.520 63.200 0.064 0.000 0.818 424 S HN 0.471 nan 8.310 nan 0.000 0.472 425 A N 1.019 123.869 122.820 0.050 0.000 2.070 425 A HA 0.220 4.540 4.320 -0.000 0.000 0.220 425 A C 2.010 179.610 177.584 0.025 0.000 1.159 425 A CA 1.369 53.428 52.037 0.036 0.000 0.656 425 A CB -0.565 18.463 19.000 0.046 0.000 0.800 425 A HN 0.487 nan 8.150 nan 0.000 0.453 426 A N -1.524 121.323 122.820 0.046 0.000 2.278 426 A HA 0.427 4.747 4.320 -0.000 0.000 0.212 426 A C 1.671 179.219 177.584 -0.061 0.000 1.213 426 A CA 1.007 53.071 52.037 0.045 0.000 0.840 426 A CB -1.034 18.093 19.000 0.212 0.000 0.866 426 A HN 1.807 nan 8.150 nan 0.000 0.489 427 G N -0.409 108.319 108.800 -0.119 0.000 2.160 427 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.251 427 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.251 427 G C 0.096 174.827 174.900 -0.282 0.000 1.008 427 G CA 0.504 45.518 45.100 -0.143 0.000 0.724 427 G HN 0.862 nan 8.290 nan 0.000 0.514 428 E N -1.005 118.816 120.200 -0.632 0.000 2.722 428 E HA -0.214 4.136 4.350 -0.000 0.000 0.265 428 E C 0.020 176.270 176.600 -0.582 0.000 1.081 428 E CA 1.023 56.635 56.400 -1.313 0.000 0.781 428 E CB -0.744 28.545 29.700 -0.685 0.000 1.372 428 E HN 0.641 nan 8.360 nan 0.000 0.423 429 D N -0.349 119.925 120.400 -0.209 0.000 2.396 429 D HA 0.086 4.726 4.640 -0.000 0.000 0.225 429 D C 0.410 176.960 176.300 0.416 0.000 1.121 429 D CA -0.350 53.728 54.000 0.131 0.000 0.853 429 D CB 0.411 41.260 40.800 0.083 0.000 1.043 429 D HN -0.007 nan 8.370 nan 0.000 0.500 430 F N 3.930 124.125 119.950 0.409 0.000 2.202 430 F HA -0.193 4.334 4.527 -0.000 0.000 0.301 430 F C 1.587 177.633 175.800 0.410 0.000 1.082 430 F CA 1.439 59.714 58.000 0.457 0.000 1.313 430 F CB 0.330 39.476 39.000 0.243 0.000 1.024 430 F HN 0.383 nan 8.300 nan 0.000 0.495 431 D N -0.203 120.364 120.400 0.278 0.000 2.123 431 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 431 D C 2.393 178.748 176.300 0.092 0.000 0.976 431 D CA 1.013 55.091 54.000 0.131 0.000 0.831 431 D CB -0.299 40.590 40.800 0.148 0.000 0.974 431 D HN 0.352 nan 8.370 nan 0.000 0.469 432 R N -0.195 120.388 120.500 0.138 0.000 2.092 432 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 432 R C 2.186 178.573 176.300 0.145 0.000 1.119 432 R CA 0.932 57.099 56.100 0.112 0.000 0.970 432 R CB -0.356 30.001 30.300 0.095 0.000 0.864 432 R HN 0.267 nan 8.270 nan 0.000 0.440 433 W N 1.992 123.319 121.300 0.045 0.000 2.338 433 W HA -0.182 4.478 4.660 -0.000 0.000 0.304 433 W C 2.308 178.810 176.519 -0.028 0.000 1.212 433 W CA 1.358 58.749 57.345 0.076 0.000 1.264 433 W CB -0.125 29.475 29.460 0.234 0.000 1.142 433 W HN -0.085 nan 8.180 nan 0.000 0.512 434 R N -0.098 120.354 120.500 -0.081 0.000 2.091 434 R HA -0.231 4.109 4.340 -0.000 0.000 0.238 434 R C 2.257 178.442 176.300 -0.191 0.000 1.136 434 R CA 2.385 58.323 56.100 -0.270 0.000 0.959 434 R CB -0.620 29.557 30.300 -0.206 0.000 0.856 434 R HN 0.264 nan 8.270 nan 0.000 0.437 435 M N -0.136 119.418 119.600 -0.076 0.000 2.080 435 M HA -0.221 4.259 4.480 -0.000 0.000 0.260 435 M C 2.125 178.437 176.300 0.019 0.000 1.068 435 M CA 2.041 57.339 55.300 -0.004 0.000 1.109 435 M CB -0.577 32.040 32.600 0.027 0.000 1.342 435 M HN 0.336 nan 8.290 nan 0.000 0.405 436 N N 0.414 119.081 118.700 -0.055 0.000 2.120 436 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 436 N C 1.692 177.201 175.510 -0.002 0.000 1.024 436 N CA 0.782 53.826 53.050 -0.010 0.000 0.852 436 N CB 0.102 38.545 38.487 -0.073 0.000 1.003 436 N HN 0.134 nan 8.380 nan 0.000 0.424 437 L N 0.617 121.678 121.223 -0.270 0.000 2.056 437 L HA -0.037 4.302 4.340 -0.000 0.000 0.207 437 L C 2.006 178.859 176.870 -0.028 0.000 1.078 437 L CA 1.182 55.879 54.840 -0.238 0.000 0.749 437 L CB -0.502 41.180 42.059 -0.628 0.000 0.901 437 L HN -0.001 nan 8.230 nan 0.000 0.433 438 V N -0.381 119.524 119.914 -0.015 0.000 2.287 438 V HA -0.319 3.800 4.120 -0.000 0.000 0.248 438 V C 2.345 178.570 176.094 0.217 0.000 1.053 438 V CA 2.170 64.517 62.300 0.078 0.000 1.027 438 V CB -0.910 30.934 31.823 0.035 0.000 0.646 438 V HN 0.553 nan 8.190 nan 0.000 0.447 439 F N 0.598 120.617 119.950 0.115 0.000 2.095 439 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 439 F C 2.105 177.988 175.800 0.138 0.000 1.104 439 F CA 2.113 60.229 58.000 0.193 0.000 1.232 439 F CB -0.489 38.623 39.000 0.186 0.000 0.987 439 F HN 0.139 nan 8.300 nan 0.000 0.475 440 L N 0.187 121.474 121.223 0.108 0.000 2.042 440 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 440 L C 1.989 178.873 176.870 0.024 0.000 1.076 440 L CA 1.875 56.723 54.840 0.014 0.000 0.749 440 L CB -0.683 41.474 42.059 0.163 0.000 0.893 440 L HN 0.189 nan 8.230 nan 0.000 0.432 441 M N -1.215 118.443 119.600 0.097 0.000 2.595 441 M HA 0.075 4.555 4.480 -0.000 0.000 0.248 441 M C 1.551 177.943 176.300 0.153 0.000 1.119 441 M CA 1.210 56.593 55.300 0.139 0.000 1.079 441 M CB -1.120 31.596 32.600 0.195 0.000 1.472 441 M HN 0.582 nan 8.290 nan 0.000 0.501 442 T N -4.316 110.310 114.554 0.119 0.000 2.975 442 T HA 0.269 4.619 4.350 -0.000 0.000 0.261 442 T C 0.887 175.612 174.700 0.042 0.000 0.984 442 T CA -0.268 61.922 62.100 0.149 0.000 0.911 442 T CB 0.599 69.638 68.868 0.285 0.000 1.127 442 T HN -0.049 nan 8.240 nan 0.000 0.514 443 M N 3.219 122.739 119.600 -0.132 0.000 2.232 443 M HA 0.254 4.733 4.480 -0.000 0.000 0.321 443 M C -2.255 173.963 176.300 -0.138 0.000 1.101 443 M CA -2.243 52.904 55.300 -0.254 0.000 1.181 443 M CB -0.000 32.292 32.600 -0.513 0.000 1.432 443 M HN -0.034 nan 8.290 nan 0.000 0.457 444 P HA 0.193 nan 4.420 nan 0.000 0.237 444 P C -0.619 176.628 177.300 -0.088 0.000 1.788 444 P CA 0.231 63.280 63.100 -0.086 0.000 1.061 444 P CB 0.116 31.764 31.700 -0.086 0.000 1.967 445 R N 1.284 121.741 120.500 -0.071 0.000 2.766 445 R HA 0.524 4.864 4.340 -0.000 0.000 0.270 445 R C -0.161 176.138 176.300 -0.002 0.000 1.035 445 R CA -1.155 54.912 56.100 -0.055 0.000 0.911 445 R CB 1.143 31.391 30.300 -0.087 0.000 1.243 445 R HN 0.191 nan 8.270 nan 0.000 0.460 446 I N 4.052 124.644 120.570 0.038 0.000 2.301 446 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 446 I C -1.918 174.274 176.117 0.125 0.000 1.046 446 I CA -1.797 59.560 61.300 0.094 0.000 1.282 446 I CB 1.383 39.485 38.000 0.169 0.000 1.409 446 I HN 0.057 nan 8.210 nan 0.000 0.484 447 P HA 0.124 nan 4.420 nan 0.000 0.284 447 P C -1.245 176.234 177.300 0.298 0.000 1.253 447 P CA -0.413 62.807 63.100 0.201 0.000 0.800 447 P CB 1.480 33.295 31.700 0.191 0.000 0.961 448 Q N 2.931 122.951 119.800 0.367 0.000 2.372 448 Q HA 0.479 4.819 4.340 -0.000 0.000 0.273 448 Q C -2.246 174.046 176.000 0.488 0.000 1.078 448 Q CA -0.721 55.327 55.803 0.408 0.000 0.806 448 Q CB 2.003 30.964 28.738 0.371 0.000 1.332 448 Q HN 0.418 nan 8.270 nan 0.000 0.435 449 F N 3.004 123.088 119.950 0.223 0.000 2.551 449 F HA 0.466 4.993 4.527 -0.000 0.000 0.316 449 F C -1.728 174.049 175.800 -0.038 0.000 1.089 449 F CA -0.761 57.338 58.000 0.165 0.000 0.915 449 F CB 1.511 40.660 39.000 0.249 0.000 1.186 449 F HN 0.574 nan 8.300 nan 0.000 0.456 450 Y N 4.286 124.257 120.300 -0.549 0.000 2.331 450 Y HA 0.395 4.945 4.550 -0.000 0.000 0.338 450 Y C 0.030 175.661 175.900 -0.448 0.000 0.992 450 Y CA -1.102 56.722 58.100 -0.460 0.000 1.121 450 Y CB 1.189 39.480 38.460 -0.283 0.000 1.184 450 Y HN 0.564 nan 8.280 nan 0.000 0.469 451 S N 4.192 119.356 115.700 -0.893 0.000 2.563 451 S HA 0.362 4.832 4.470 -0.000 0.000 0.294 451 S C 1.141 175.583 174.600 -0.264 0.000 1.279 451 S CA 1.399 59.202 58.200 -0.662 0.000 1.069 451 S CB -0.484 62.296 63.200 -0.700 0.000 0.828 451 S HN 1.593 nan 8.310 nan 0.000 0.497 452 G N 4.747 113.734 108.800 0.310 0.000 2.313 452 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.215 452 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.215 452 G C 0.560 175.549 174.900 0.149 0.000 1.023 452 G CA 0.412 45.629 45.100 0.196 0.000 0.626 452 G HN 0.661 nan 8.290 nan 0.000 0.503 453 D N 1.594 122.061 120.400 0.111 0.000 2.264 453 D HA -0.009 4.631 4.640 -0.000 0.000 0.208 453 D C 2.416 179.052 176.300 0.560 0.000 0.966 453 D CA 1.297 55.411 54.000 0.190 0.000 0.864 453 D CB -0.110 40.574 40.800 -0.193 0.000 0.933 453 D HN 0.761 nan 8.370 nan 0.000 0.499 454 E N 1.131 121.811 120.200 0.801 0.000 2.418 454 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 454 E C 1.501 178.296 176.600 0.326 0.000 1.026 454 E CA 0.516 57.355 56.400 0.733 0.000 0.862 454 E CB -0.172 29.928 29.700 0.668 0.000 0.799 454 E HN 0.372 nan 8.360 nan 0.000 0.518 455 I N -1.391 119.273 120.570 0.157 0.000 3.833 455 I HA 0.263 4.433 4.170 -0.000 0.000 0.328 455 I C 0.323 176.315 176.117 -0.208 0.000 1.554 455 I CA -0.752 60.511 61.300 -0.062 0.000 1.116 455 I CB -0.522 37.414 38.000 -0.105 0.000 1.182 455 I HN -0.076 nan 8.210 nan 0.000 0.459 456 L N 0.035 121.098 121.223 -0.267 0.000 3.717 456 L HA -0.212 4.128 4.340 -0.000 0.000 0.414 456 L C 0.448 177.238 176.870 -0.134 0.000 1.228 456 L CA 0.504 55.055 54.840 -0.482 0.000 0.918 456 L CB -1.779 39.585 42.059 -1.159 0.000 1.865 456 L HN 0.462 nan 8.230 nan 0.000 0.922 457 M N 0.333 119.922 119.600 -0.018 0.000 2.252 457 M HA 0.143 4.623 4.480 -0.000 0.000 0.329 457 M C 1.102 177.501 176.300 0.165 0.000 1.101 457 M CA 1.343 56.671 55.300 0.046 0.000 1.117 457 M CB 0.563 33.179 32.600 0.026 0.000 1.563 457 M HN 0.383 nan 8.290 nan 0.000 0.445 458 T N -0.552 114.098 114.554 0.161 0.000 2.940 458 T HA 0.855 5.205 4.350 -0.000 0.000 0.288 458 T C -0.298 174.501 174.700 0.163 0.000 1.045 458 T CA -0.739 61.474 62.100 0.189 0.000 1.018 458 T CB 1.854 70.825 68.868 0.171 0.000 1.151 458 T HN 0.804 nan 8.240 nan 0.000 0.529 459 S N -0.401 115.401 115.700 0.171 0.000 2.752 459 S HA 0.705 5.175 4.470 -0.000 0.000 0.284 459 S C -0.015 174.679 174.600 0.157 0.000 1.189 459 S CA -0.525 57.791 58.200 0.193 0.000 0.835 459 S CB 0.638 64.057 63.200 0.365 0.000 1.192 459 S HN 1.297 nan 8.310 nan 0.000 0.506 460 T N -0.864 113.785 114.554 0.158 0.000 2.802 460 T HA 0.429 4.779 4.350 -0.000 0.000 0.305 460 T C 1.401 176.218 174.700 0.195 0.000 1.053 460 T CA 0.093 62.276 62.100 0.137 0.000 1.058 460 T CB 0.461 69.388 68.868 0.098 0.000 0.988 460 T HN 1.628 nan 8.240 nan 0.000 0.539 461 V N -3.029 116.966 119.914 0.136 0.000 3.455 461 V HA 0.438 4.558 4.120 -0.000 0.000 0.250 461 V C 0.675 176.843 176.094 0.123 0.000 1.230 461 V CA 0.059 62.431 62.300 0.118 0.000 1.105 461 V CB -0.419 31.444 31.823 0.066 0.000 0.850 461 V HN 0.641 nan 8.190 nan 0.000 0.461 462 K N 1.464 121.936 120.400 0.119 0.000 2.123 462 K HA 0.591 4.911 4.320 -0.000 0.000 0.259 462 K C 0.770 177.451 176.600 0.135 0.000 0.960 462 K CA 0.661 57.013 56.287 0.108 0.000 0.872 462 K CB 1.372 33.918 32.500 0.076 0.000 1.079 462 K HN 0.587 nan 8.250 nan 0.000 0.440 463 G N 2.512 111.392 108.800 0.134 0.000 2.578 463 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.275 463 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.275 463 G C -0.728 174.288 174.900 0.192 0.000 1.271 463 G CA -0.352 44.831 45.100 0.139 0.000 0.941 463 G HN 0.524 nan 8.290 nan 0.000 0.564 464 R N 1.168 121.758 120.500 0.150 0.000 2.288 464 R HA 0.484 4.824 4.340 -0.000 0.000 0.326 464 R C -1.018 175.326 176.300 0.074 0.000 0.959 464 R CA -0.466 55.734 56.100 0.167 0.000 0.834 464 R CB 1.237 31.583 30.300 0.077 0.000 1.157 464 R HN 0.573 nan 8.270 nan 0.000 0.470 465 D N 1.815 122.209 120.400 -0.010 0.000 2.656 465 D HA 0.143 4.783 4.640 -0.000 0.000 0.303 465 D C 0.105 175.977 176.300 -0.712 0.000 1.199 465 D CA -0.248 53.590 54.000 -0.269 0.000 0.797 465 D CB 0.487 41.173 40.800 -0.189 0.000 1.170 465 D HN 0.218 nan 8.370 nan 0.000 0.509 466 D N 0.865 121.039 120.400 -0.377 0.000 2.133 466 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 466 D C 1.967 178.126 176.300 -0.235 0.000 0.997 466 D CA 1.386 55.214 54.000 -0.286 0.000 0.840 466 D CB 0.014 40.816 40.800 0.002 0.000 0.947 466 D HN 0.502 nan 8.370 nan 0.000 0.452 467 A N 0.321 123.073 122.820 -0.113 0.000 1.978 467 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 467 A C 2.308 179.839 177.584 -0.090 0.000 1.170 467 A CA 1.965 53.986 52.037 -0.027 0.000 0.636 467 A CB -0.649 18.353 19.000 0.002 0.000 0.810 467 A HN 0.218 nan 8.150 nan 0.000 0.448 468 S N -1.576 113.967 115.700 -0.263 0.000 2.447 468 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 468 S C 1.394 176.011 174.600 0.028 0.000 1.006 468 S CA 1.220 59.321 58.200 -0.165 0.000 0.957 468 S CB -0.430 62.646 63.200 -0.206 0.000 0.773 468 S HN 0.668 nan 8.310 nan 0.000 0.507 469 Y N 1.437 121.825 120.300 0.147 0.000 2.466 469 Y HA 0.364 4.914 4.550 -0.000 0.000 0.272 469 Y C 1.570 177.654 175.900 0.306 0.000 1.169 469 Y CA -0.309 57.917 58.100 0.211 0.000 1.285 469 Y CB -0.085 38.473 38.460 0.163 0.000 1.078 469 Y HN 0.294 nan 8.280 nan 0.000 0.523 470 R N -0.230 120.466 120.500 0.327 0.000 2.690 470 R HA 0.292 4.632 4.340 -0.000 0.000 0.419 470 R C -0.459 175.951 176.300 0.184 0.000 1.090 470 R CA -0.335 55.956 56.100 0.318 0.000 1.064 470 R CB 0.195 30.713 30.300 0.364 0.000 1.391 470 R HN -0.081 nan 8.270 nan 0.000 0.586 471 R N 1.481 122.068 120.500 0.146 0.000 2.679 471 R HA 0.089 4.429 4.340 -0.000 0.000 0.268 471 R C -0.296 176.062 176.300 0.097 0.000 1.044 471 R CA -0.126 56.025 56.100 0.086 0.000 1.105 471 R CB 0.294 30.620 30.300 0.044 0.000 0.989 471 R HN 0.145 nan 8.270 nan 0.000 0.447 472 D N 1.564 121.984 120.400 0.033 0.000 2.525 472 D HA -0.108 4.532 4.640 -0.000 0.000 0.235 472 D C 0.040 176.428 176.300 0.147 0.000 1.137 472 D CA 0.330 54.345 54.000 0.025 0.000 0.868 472 D CB 0.109 40.634 40.800 -0.458 0.000 1.180 472 D HN 0.248 nan 8.370 nan 0.000 0.465 473 F N 4.194 124.271 119.950 0.210 0.000 2.578 473 F HA 0.138 4.665 4.527 -0.000 0.000 0.381 473 F C -1.696 174.107 175.800 0.005 0.000 1.069 473 F CA -1.801 56.261 58.000 0.103 0.000 1.231 473 F CB 0.507 39.609 39.000 0.171 0.000 1.086 473 F HN 0.149 nan 8.300 nan 0.000 0.564 474 P HA 0.182 nan 4.420 nan 0.000 0.270 474 P C 0.382 177.443 177.300 -0.397 0.000 1.242 474 P CA 0.854 63.713 63.100 -0.403 0.000 0.768 474 P CB 0.715 32.131 31.700 -0.473 0.000 0.820 475 G N 3.109 111.873 108.800 -0.059 0.000 2.201 475 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.212 475 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.212 475 G C 1.074 176.152 174.900 0.297 0.000 0.994 475 G CA 0.009 45.146 45.100 0.061 0.000 0.644 475 G HN 0.662 nan 8.290 nan 0.000 0.508 476 G N -0.985 108.046 108.800 0.386 0.000 2.598 476 G HA2 0.209 4.169 3.960 -0.000 0.000 0.215 476 G HA3 0.209 4.169 3.960 -0.000 0.000 0.215 476 G C 0.569 175.490 174.900 0.034 0.000 1.131 476 G CA 0.588 45.855 45.100 0.279 0.000 0.785 476 G HN 0.416 nan 8.290 nan 0.000 0.539 477 W N -0.228 121.117 121.300 0.075 0.000 2.785 477 W HA 0.637 5.297 4.660 -0.000 0.000 0.333 477 W C -0.104 176.439 176.519 0.041 0.000 1.062 477 W CA -1.797 55.580 57.345 0.053 0.000 1.233 477 W CB 1.710 31.190 29.460 0.033 0.000 1.413 477 W HN 0.074 nan 8.180 nan 0.000 0.489 478 A N 1.319 124.243 122.820 0.174 0.000 2.540 478 A HA 0.418 4.738 4.320 -0.000 0.000 0.239 478 A C 1.131 178.796 177.584 0.135 0.000 1.061 478 A CA 1.654 53.763 52.037 0.119 0.000 0.758 478 A CB -0.276 18.767 19.000 0.072 0.000 0.991 478 A HN 1.514 nan 8.150 nan 0.000 0.502 479 G N 1.895 110.751 108.800 0.093 0.000 2.195 479 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.246 479 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.246 479 G C -0.048 174.887 174.900 0.058 0.000 0.984 479 G CA 0.246 45.386 45.100 0.067 0.000 0.633 479 G HN 0.855 nan 8.290 nan 0.000 0.525 480 D N 0.760 121.210 120.400 0.084 0.000 2.493 480 D HA 0.324 4.964 4.640 -0.000 0.000 0.240 480 D C 1.425 177.734 176.300 0.014 0.000 1.142 480 D CA 0.060 54.090 54.000 0.048 0.000 0.872 480 D CB 0.884 41.729 40.800 0.075 0.000 1.173 480 D HN 0.113 nan 8.370 nan 0.000 0.467 481 K N 0.677 121.069 120.400 -0.013 0.000 2.379 481 K HA 0.196 4.516 4.320 -0.000 0.000 0.194 481 K C 0.246 176.822 176.600 -0.040 0.000 1.031 481 K CA 0.040 56.314 56.287 -0.022 0.000 1.037 481 K CB 0.512 32.997 32.500 -0.026 0.000 0.824 481 K HN 0.349 nan 8.250 nan 0.000 0.516 482 A N 1.861 124.643 122.820 -0.063 0.000 2.343 482 A HA 0.524 4.844 4.320 -0.000 0.000 0.316 482 A C -0.863 176.648 177.584 -0.123 0.000 1.104 482 A CA -0.640 51.340 52.037 -0.096 0.000 0.768 482 A CB 0.765 19.691 19.000 -0.124 0.000 1.213 482 A HN 0.080 nan 8.150 nan 0.000 0.456 483 N N 1.925 120.550 118.700 -0.126 0.000 2.549 483 N HA 0.406 5.146 4.740 -0.000 0.000 0.281 483 N C 0.422 175.813 175.510 -0.198 0.000 1.084 483 N CA 0.223 53.188 53.050 -0.142 0.000 0.862 483 N CB 1.905 40.381 38.487 -0.018 0.000 1.333 483 N HN 0.574 nan 8.380 nan 0.000 0.523 484 A N 3.256 125.823 122.820 -0.422 0.000 2.066 484 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 484 A C 1.323 178.765 177.584 -0.236 0.000 1.157 484 A CA 0.786 52.604 52.037 -0.366 0.000 0.670 484 A CB -0.533 18.104 19.000 -0.605 0.000 0.804 484 A HN 0.657 nan 8.150 nan 0.000 0.453 485 F N 0.660 120.520 119.950 -0.149 0.000 2.163 485 F HA -0.142 4.385 4.527 -0.000 0.000 0.297 485 F C 2.835 178.646 175.800 0.018 0.000 1.094 485 F CA 1.322 59.201 58.000 -0.201 0.000 1.290 485 F CB 0.005 38.849 39.000 -0.259 0.000 1.017 485 F HN 0.359 nan 8.300 nan 0.000 0.483 486 S N -1.167 114.642 115.700 0.182 0.000 2.492 486 S HA 0.393 4.863 4.470 -0.000 0.000 0.218 486 S C 1.726 176.379 174.600 0.089 0.000 1.016 486 S CA 0.482 58.763 58.200 0.135 0.000 0.916 486 S CB 0.613 63.876 63.200 0.105 0.000 0.791 486 S HN 0.529 nan 8.310 nan 0.000 0.513 487 G N 1.099 109.931 108.800 0.052 0.000 2.213 487 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.236 487 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.236 487 G C 0.294 175.191 174.900 -0.004 0.000 0.991 487 G CA -0.132 44.985 45.100 0.028 0.000 0.629 487 G HN 1.336 nan 8.290 nan 0.000 0.517 488 A N 0.289 123.107 122.820 -0.002 0.000 2.524 488 A HA 0.617 4.936 4.320 -0.000 0.000 0.250 488 A C 2.072 179.633 177.584 -0.038 0.000 1.078 488 A CA 1.978 54.008 52.037 -0.012 0.000 0.761 488 A CB -0.191 18.809 19.000 0.001 0.000 1.012 488 A HN 2.397 nan 8.150 nan 0.000 0.500 489 G N 1.385 110.162 108.800 -0.039 0.000 2.179 489 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 489 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 489 G C 0.164 175.021 174.900 -0.071 0.000 0.977 489 G CA 0.407 45.475 45.100 -0.053 0.000 0.641 489 G HN 0.815 nan 8.290 nan 0.000 0.533 490 L N 2.006 123.185 121.223 -0.074 0.000 2.397 490 L HA 0.455 4.795 4.340 -0.000 0.000 0.271 490 L C 1.677 178.496 176.870 -0.085 0.000 1.148 490 L CA -0.014 54.771 54.840 -0.091 0.000 0.825 490 L CB 0.670 42.678 42.059 -0.085 0.000 1.117 490 L HN 0.402 nan 8.230 nan 0.000 0.456 491 T N -1.138 113.354 114.554 -0.103 0.000 2.802 491 T HA 0.054 4.404 4.350 -0.000 0.000 0.305 491 T C 1.257 175.886 174.700 -0.119 0.000 1.053 491 T CA -0.460 61.577 62.100 -0.105 0.000 1.058 491 T CB 1.048 69.846 68.868 -0.116 0.000 0.988 491 T HN 0.606 nan 8.240 nan 0.000 0.539 492 S N 0.395 116.026 115.700 -0.116 0.000 2.374 492 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 492 S C 2.042 176.523 174.600 -0.198 0.000 1.037 492 S CA 1.658 59.781 58.200 -0.128 0.000 1.024 492 S CB -0.564 62.568 63.200 -0.113 0.000 0.861 492 S HN 0.861 nan 8.310 nan 0.000 0.456 493 Q N 0.700 120.342 119.800 -0.264 0.000 2.079 493 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 493 Q C 2.240 177.993 176.000 -0.411 0.000 0.974 493 Q CA 1.265 56.798 55.803 -0.450 0.000 0.840 493 Q CB -0.101 28.353 28.738 -0.474 0.000 0.898 493 Q HN 0.600 nan 8.270 nan 0.000 0.430 494 Q N -0.257 119.363 119.800 -0.299 0.000 2.050 494 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 494 Q C 2.129 178.042 176.000 -0.145 0.000 0.980 494 Q CA 1.574 57.226 55.803 -0.252 0.000 0.840 494 Q CB -0.146 28.468 28.738 -0.206 0.000 0.898 494 Q HN 0.113 nan 8.270 nan 0.000 0.424 495 R N 0.945 121.380 120.500 -0.109 0.000 2.096 495 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 495 R C 1.929 178.223 176.300 -0.010 0.000 1.127 495 R CA 1.667 57.743 56.100 -0.039 0.000 0.968 495 R CB -0.764 29.514 30.300 -0.035 0.000 0.861 495 R HN 0.257 nan 8.270 nan 0.000 0.440 496 A N 0.345 123.128 122.820 -0.062 0.000 1.902 496 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 496 A C 2.409 180.100 177.584 0.178 0.000 1.181 496 A CA 1.864 53.906 52.037 0.008 0.000 0.623 496 A CB -1.152 17.773 19.000 -0.124 0.000 0.818 496 A HN 0.496 nan 8.150 nan 0.000 0.443 497 A N -0.853 122.054 122.820 0.145 0.000 1.883 497 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 497 A C 2.225 180.002 177.584 0.323 0.000 1.186 497 A CA 1.963 54.158 52.037 0.264 0.000 0.624 497 A CB -0.670 18.184 19.000 -0.244 0.000 0.822 497 A HN 0.667 nan 8.150 nan 0.000 0.444 498 Q N -0.717 119.198 119.800 0.191 0.000 2.084 498 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 498 Q C 1.345 177.453 176.000 0.179 0.000 0.978 498 Q CA 1.809 57.742 55.803 0.217 0.000 0.844 498 Q CB -0.171 28.679 28.738 0.186 0.000 0.898 498 Q HN 0.610 nan 8.270 nan 0.000 0.426 499 D N 0.345 120.830 120.400 0.141 0.000 2.144 499 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 499 D C 1.809 178.170 176.300 0.102 0.000 0.984 499 D CA 0.673 54.734 54.000 0.102 0.000 0.834 499 D CB -0.132 40.710 40.800 0.071 0.000 0.955 499 D HN 0.219 nan 8.370 nan 0.000 0.465 500 L N 0.407 121.730 121.223 0.168 0.000 2.056 500 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 500 L C 2.185 179.129 176.870 0.123 0.000 1.078 500 L CA 1.127 56.058 54.840 0.151 0.000 0.749 500 L CB -0.374 41.845 42.059 0.267 0.000 0.901 500 L HN -0.139 nan 8.230 nan 0.000 0.433 501 V N 0.074 120.099 119.914 0.183 0.000 2.287 501 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 501 V C 2.775 178.854 176.094 -0.025 0.000 1.053 501 V CA 2.236 64.572 62.300 0.060 0.000 1.027 501 V CB -0.760 31.101 31.823 0.062 0.000 0.646 501 V HN 0.528 nan 8.190 nan 0.000 0.447 502 R N 0.267 120.775 120.500 0.013 0.000 2.083 502 R HA -0.252 4.088 4.340 -0.000 0.000 0.237 502 R C 2.433 178.740 176.300 0.013 0.000 1.137 502 R CA 2.320 58.408 56.100 -0.020 0.000 0.951 502 R CB -0.298 30.009 30.300 0.011 0.000 0.851 502 R HN 0.529 nan 8.270 nan 0.000 0.434 503 K N 0.286 120.713 120.400 0.045 0.000 2.002 503 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 503 K C 2.122 178.847 176.600 0.209 0.000 1.048 503 K CA 1.590 57.928 56.287 0.086 0.000 0.930 503 K CB -0.118 32.363 32.500 -0.032 0.000 0.714 503 K HN 0.210 nan 8.250 nan 0.000 0.438 504 L N 0.239 121.551 121.223 0.149 0.000 2.072 504 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 504 L C 2.609 179.628 176.870 0.248 0.000 1.079 504 L CA 1.076 56.066 54.840 0.251 0.000 0.752 504 L CB -0.416 41.720 42.059 0.129 0.000 0.906 504 L HN 0.319 nan 8.230 nan 0.000 0.436 505 A N 0.055 122.880 122.820 0.009 0.000 1.877 505 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 505 A C 2.063 179.603 177.584 -0.074 0.000 1.186 505 A CA 1.742 53.681 52.037 -0.164 0.000 0.620 505 A CB -0.575 18.072 19.000 -0.588 0.000 0.822 505 A HN 0.435 nan 8.150 nan 0.000 0.443 506 N N -1.470 117.222 118.700 -0.015 0.000 2.188 506 N HA -0.192 4.548 4.740 -0.000 0.000 0.184 506 N C 1.579 177.157 175.510 0.115 0.000 1.018 506 N CA 1.593 54.659 53.050 0.027 0.000 0.858 506 N CB -0.417 38.095 38.487 0.042 0.000 0.989 506 N HN 0.808 nan 8.380 nan 0.000 0.426 507 W N 2.812 124.105 121.300 -0.011 0.000 2.358 507 W HA -0.093 4.567 4.660 -0.000 0.000 0.303 507 W C 2.511 178.968 176.519 -0.103 0.000 1.208 507 W CA 1.305 58.605 57.345 -0.077 0.000 1.274 507 W CB -0.294 29.093 29.460 -0.122 0.000 1.138 507 W HN -0.075 nan 8.180 nan 0.000 0.515 508 R N 0.893 121.395 120.500 0.004 0.000 2.096 508 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 508 R C 2.197 178.436 176.300 -0.102 0.000 1.127 508 R CA 1.835 57.801 56.100 -0.223 0.000 0.968 508 R CB -0.375 29.936 30.300 0.019 0.000 0.861 508 R HN 0.170 nan 8.270 nan 0.000 0.440 509 K N -0.115 120.259 120.400 -0.043 0.000 2.113 509 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 509 K C 0.894 177.505 176.600 0.018 0.000 1.047 509 K CA 1.765 58.055 56.287 0.005 0.000 0.928 509 K CB -0.095 32.385 32.500 -0.034 0.000 0.716 509 K HN 0.172 nan 8.250 nan 0.000 0.446 510 N N 0.392 119.009 118.700 -0.138 0.000 2.320 510 N HA 0.016 4.756 4.740 -0.000 0.000 0.237 510 N C -0.989 174.289 175.510 -0.386 0.000 1.129 510 N CA 0.108 53.041 53.050 -0.196 0.000 0.854 510 N CB 0.764 39.159 38.487 -0.153 0.000 1.083 510 N HN 0.006 nan 8.380 nan 0.000 0.504 511 Q N -0.257 119.202 119.800 -0.569 0.000 2.700 511 Q HA 0.274 4.614 4.340 -0.000 0.000 0.249 511 Q C -2.019 173.413 176.000 -0.946 0.000 1.033 511 Q CA -1.709 53.653 55.803 -0.735 0.000 0.804 511 Q CB 1.497 29.642 28.738 -0.988 0.000 1.164 511 Q HN 0.129 nan 8.270 nan 0.000 0.500 512 P HA -0.187 nan 4.420 nan 0.000 0.217 512 P C 1.506 178.543 177.300 -0.438 0.000 1.148 512 P CA 0.782 63.527 63.100 -0.592 0.000 0.828 512 P CB 0.440 31.988 31.700 -0.253 0.000 0.783 513 V N -0.749 118.953 119.914 -0.355 0.000 2.594 513 V HA -0.201 3.919 4.120 -0.000 0.000 0.253 513 V C 1.938 177.904 176.094 -0.213 0.000 1.069 513 V CA 1.556 63.722 62.300 -0.224 0.000 1.082 513 V CB -0.822 30.914 31.823 -0.145 0.000 0.680 513 V HN 0.015 nan 8.190 nan 0.000 0.469 514 I N -0.532 119.851 120.570 -0.311 0.000 2.406 514 I HA -0.180 3.990 4.170 -0.000 0.000 0.249 514 I C 2.242 178.333 176.117 -0.044 0.000 1.122 514 I CA 1.580 62.778 61.300 -0.170 0.000 1.431 514 I CB -0.481 37.403 38.000 -0.193 0.000 1.087 514 I HN 0.448 nan 8.210 nan 0.000 0.424 515 H N 1.016 120.014 119.070 -0.121 0.000 2.389 515 H HA -0.061 4.495 4.556 -0.000 0.000 0.299 515 H C 1.103 176.382 175.328 -0.083 0.000 1.081 515 H CA 1.374 57.366 56.048 -0.092 0.000 1.345 515 H CB -0.015 29.694 29.762 -0.089 0.000 1.393 515 H HN 0.483 nan 8.280 nan 0.000 0.520 516 N N -0.686 118.015 118.700 0.002 0.000 2.039 516 N HA 0.087 4.827 4.740 -0.000 0.000 0.228 516 N C 0.438 175.895 175.510 -0.088 0.000 1.369 516 N CA 0.230 53.259 53.050 -0.035 0.000 0.806 516 N CB 0.085 38.560 38.487 -0.020 0.000 1.190 516 N HN 0.167 nan 8.380 nan 0.000 0.506 517 G N 0.424 109.153 108.800 -0.118 0.000 2.634 517 G HA2 0.318 4.278 3.960 -0.000 0.000 0.255 517 G HA3 0.318 4.278 3.960 -0.000 0.000 0.255 517 G C -0.022 174.737 174.900 -0.236 0.000 1.205 517 G CA -0.612 44.382 45.100 -0.176 0.000 0.884 517 G HN 0.172 nan 8.290 nan 0.000 0.549 518 R N -1.273 118.960 120.500 -0.445 0.000 2.649 518 R HA 0.386 4.726 4.340 -0.000 0.000 0.270 518 R C -0.730 175.353 176.300 -0.361 0.000 1.105 518 R CA -0.564 55.217 56.100 -0.532 0.000 1.193 518 R CB 0.742 30.459 30.300 -0.972 0.000 1.120 518 R HN 0.305 nan 8.270 nan 0.000 0.561 519 L N 1.597 122.736 121.223 -0.140 0.000 2.356 519 L HA 0.460 4.800 4.340 -0.000 0.000 0.277 519 L C -1.048 175.952 176.870 0.217 0.000 0.996 519 L CA -0.243 54.636 54.840 0.064 0.000 0.822 519 L CB 1.758 43.792 42.059 -0.040 0.000 1.256 519 L HN 0.609 nan 8.230 nan 0.000 0.413 520 M N 5.882 125.739 119.600 0.428 0.000 2.190 520 M HA 0.472 4.952 4.480 -0.000 0.000 0.312 520 M C -1.392 175.140 176.300 0.388 0.000 0.990 520 M CA -0.371 55.119 55.300 0.317 0.000 0.927 520 M CB 0.938 33.682 32.600 0.240 0.000 1.571 520 M HN 0.903 nan 8.290 nan 0.000 0.427 521 H N 2.025 121.235 119.070 0.233 0.000 2.616 521 H HA 0.671 5.227 4.556 -0.000 0.000 0.353 521 H C -1.815 173.637 175.328 0.207 0.000 1.170 521 H CA -1.058 55.208 56.048 0.363 0.000 1.212 521 H CB 1.484 31.566 29.762 0.533 0.000 1.653 521 H HN 0.551 nan 8.280 nan 0.000 0.537 522 F N 0.244 120.493 119.950 0.499 0.000 2.492 522 F HA 0.361 4.888 4.527 -0.000 0.000 0.327 522 F C 1.040 176.849 175.800 0.014 0.000 1.079 522 F CA -0.684 57.512 58.000 0.327 0.000 0.967 522 F CB 1.912 41.186 39.000 0.457 0.000 1.169 522 F HN 0.844 nan 8.300 nan 0.000 0.472 523 G N 2.904 111.557 108.800 -0.245 0.000 2.272 523 G HA2 0.293 4.253 3.960 -0.000 0.000 0.247 523 G HA3 0.293 4.253 3.960 -0.000 0.000 0.247 523 G C -2.733 172.000 174.900 -0.278 0.000 1.272 523 G CA -0.836 43.690 45.100 -0.956 0.000 0.921 523 G HN 0.252 nan 8.290 nan 0.000 0.495 524 P HA 0.159 nan 4.420 nan 0.000 0.268 524 P C -0.360 176.920 177.300 -0.033 0.000 1.205 524 P CA 0.213 63.284 63.100 -0.048 0.000 0.771 524 P CB 0.921 32.486 31.700 -0.226 0.000 0.858 525 E N 1.414 121.644 120.200 0.049 0.000 2.241 525 E HA 0.135 4.485 4.350 -0.000 0.000 0.263 525 E C -0.539 176.083 176.600 0.037 0.000 0.882 525 E CA -0.580 55.839 56.400 0.033 0.000 0.769 525 E CB 1.060 30.789 29.700 0.048 0.000 1.185 525 E HN 0.401 nan 8.360 nan 0.000 0.415 526 E N 2.452 122.662 120.200 0.017 0.000 2.328 526 E HA -0.316 4.034 4.350 -0.000 0.000 0.233 526 E C -0.309 176.304 176.600 0.022 0.000 1.219 526 E CA 0.158 56.568 56.400 0.017 0.000 0.717 526 E CB -1.004 28.709 29.700 0.021 0.000 1.210 526 E HN 0.619 nan 8.360 nan 0.000 0.381 527 N N -0.942 117.767 118.700 0.014 0.000 2.741 527 N HA -0.153 4.587 4.740 -0.000 0.000 0.250 527 N C -0.562 174.984 175.510 0.060 0.000 1.115 527 N CA 1.861 54.921 53.050 0.017 0.000 0.724 527 N CB -1.095 37.396 38.487 0.006 0.000 1.090 527 N HN 0.635 nan 8.380 nan 0.000 0.558 528 T N -3.288 111.320 114.554 0.090 0.000 2.895 528 T HA 0.626 4.976 4.350 -0.000 0.000 0.283 528 T C -0.600 174.256 174.700 0.259 0.000 1.014 528 T CA -0.634 61.550 62.100 0.140 0.000 1.037 528 T CB 2.335 71.270 68.868 0.110 0.000 1.006 528 T HN 0.274 nan 8.240 nan 0.000 0.468 529 W N 2.438 123.750 121.300 0.020 0.000 3.274 529 W HA 0.630 5.290 4.660 -0.000 0.000 0.327 529 W C -2.301 174.228 176.519 0.015 0.000 1.172 529 W CA -1.277 56.106 57.345 0.063 0.000 1.217 529 W CB 1.620 31.146 29.460 0.110 0.000 1.376 529 W HN 0.720 nan 8.180 nan 0.000 0.507 530 V N 7.351 127.173 119.914 -0.153 0.000 2.638 530 V HA 0.585 4.705 4.120 -0.000 0.000 0.306 530 V C -1.028 174.882 176.094 -0.306 0.000 1.052 530 V CA -0.832 61.185 62.300 -0.473 0.000 0.885 530 V CB 1.306 32.657 31.823 -0.787 0.000 0.999 530 V HN 0.391 nan 8.190 nan 0.000 0.424 531 Y N 2.472 122.458 120.300 -0.523 0.000 2.655 531 Y HA 0.894 5.444 4.550 -0.000 0.000 0.336 531 Y C -1.891 173.837 175.900 -0.287 0.000 1.154 531 Y CA -1.811 56.181 58.100 -0.181 0.000 1.055 531 Y CB 1.679 39.952 38.460 -0.312 0.000 1.295 531 Y HN 0.369 nan 8.280 nan 0.000 0.465 532 F N 1.307 121.443 119.950 0.309 0.000 2.556 532 F HA 0.667 5.194 4.527 -0.000 0.000 0.314 532 F C -0.429 175.577 175.800 0.344 0.000 1.106 532 F CA -1.041 57.101 58.000 0.236 0.000 0.911 532 F CB 2.051 41.180 39.000 0.214 0.000 1.190 532 F HN 0.321 nan 8.300 nan 0.000 0.448 533 R N 2.492 123.240 120.500 0.414 0.000 2.407 533 R HA 0.556 4.896 4.340 -0.000 0.000 0.303 533 R C -1.414 175.085 176.300 0.332 0.000 0.981 533 R CA -0.825 55.440 56.100 0.276 0.000 0.905 533 R CB 1.379 31.757 30.300 0.131 0.000 1.099 533 R HN 0.801 nan 8.270 nan 0.000 0.459 534 Y N -0.355 119.998 120.300 0.088 0.000 2.558 534 Y HA 0.585 5.135 4.550 -0.000 0.000 0.333 534 Y C -0.983 174.929 175.900 0.020 0.000 1.125 534 Y CA -1.367 56.771 58.100 0.063 0.000 1.039 534 Y CB 1.436 39.944 38.460 0.080 0.000 1.331 534 Y HN 0.686 nan 8.280 nan 0.000 0.456 535 N N 0.273 119.039 118.700 0.111 0.000 3.364 535 N HA 0.199 4.939 4.740 -0.000 0.000 0.294 535 N C -0.195 175.366 175.510 0.086 0.000 1.562 535 N CA -0.642 52.427 53.050 0.032 0.000 0.862 535 N CB 0.746 39.199 38.487 -0.057 0.000 1.691 535 N HN 0.788 nan 8.380 nan 0.000 0.572 536 K N -1.261 119.166 120.400 0.044 0.000 2.280 536 K HA -0.040 4.279 4.320 -0.000 0.000 0.202 536 K C -0.316 176.301 176.600 0.027 0.000 1.047 536 K CA 1.494 57.806 56.287 0.040 0.000 0.942 536 K CB -0.192 32.321 32.500 0.022 0.000 0.739 536 K HN 0.415 nan 8.250 nan 0.000 0.457 537 D N 0.603 121.010 120.400 0.012 0.000 2.301 537 D HA 0.048 4.688 4.640 -0.000 0.000 0.206 537 D C 0.142 176.446 176.300 0.006 0.000 0.979 537 D CA 0.720 54.718 54.000 -0.002 0.000 0.874 537 D CB 0.476 41.259 40.800 -0.029 0.000 0.968 537 D HN 0.185 nan 8.370 nan 0.000 0.510 538 K N -0.116 120.299 120.400 0.025 0.000 2.578 538 K HA 0.372 4.692 4.320 -0.000 0.000 0.269 538 K C -1.398 175.261 176.600 0.098 0.000 0.941 538 K CA -0.577 55.732 56.287 0.036 0.000 0.847 538 K CB 2.386 34.878 32.500 -0.013 0.000 1.397 538 K HN -0.256 nan 8.250 nan 0.000 0.422 539 R N 2.796 123.371 120.500 0.125 0.000 2.514 539 R HA 0.553 4.893 4.340 -0.000 0.000 0.301 539 R C -0.644 175.760 176.300 0.174 0.000 0.962 539 R CA -0.655 55.572 56.100 0.211 0.000 0.882 539 R CB 1.295 31.744 30.300 0.248 0.000 1.143 539 R HN 0.435 nan 8.270 nan 0.000 0.452 540 I N 3.518 124.200 120.570 0.186 0.000 2.410 540 I HA 0.300 4.469 4.170 -0.000 0.000 0.286 540 I C -0.278 175.823 176.117 -0.028 0.000 1.009 540 I CA -0.477 60.885 61.300 0.104 0.000 1.111 540 I CB 1.835 39.909 38.000 0.124 0.000 1.262 540 I HN 0.440 nan 8.210 nan 0.000 0.443 541 M N 7.501 126.972 119.600 -0.216 0.000 2.157 541 M HA 0.519 4.999 4.480 -0.000 0.000 0.354 541 M C -1.552 174.375 176.300 -0.622 0.000 1.170 541 M CA -0.425 54.439 55.300 -0.726 0.000 1.060 541 M CB 1.274 33.438 32.600 -0.727 0.000 1.615 541 M HN 0.312 nan 8.290 nan 0.000 0.460 542 V N 4.667 124.044 119.914 -0.896 0.000 2.459 542 V HA 0.848 4.968 4.120 -0.000 0.000 0.295 542 V C -0.359 175.236 176.094 -0.833 0.000 1.029 542 V CA -0.658 61.133 62.300 -0.848 0.000 0.874 542 V CB 1.374 32.458 31.823 -1.233 0.000 0.985 542 V HN 0.943 nan 8.190 nan 0.000 0.438 543 A N 6.842 129.353 122.820 -0.515 0.000 2.398 543 A HA 0.962 5.282 4.320 -0.000 0.000 0.301 543 A C -0.677 176.789 177.584 -0.197 0.000 1.041 543 A CA -0.653 51.151 52.037 -0.387 0.000 0.711 543 A CB 1.679 20.462 19.000 -0.361 0.000 1.240 543 A HN 0.971 nan 8.150 nan 0.000 0.420 544 M N 1.232 120.785 119.600 -0.078 0.000 2.457 544 M HA 0.661 5.141 4.480 -0.000 0.000 0.300 544 M C -1.189 175.142 176.300 0.051 0.000 1.141 544 M CA -0.768 54.538 55.300 0.011 0.000 0.901 544 M CB 2.181 34.831 32.600 0.084 0.000 1.687 544 M HN 0.489 nan 8.290 nan 0.000 0.449 545 N N 2.293 121.015 118.700 0.036 0.000 2.626 545 N HA 0.242 4.982 4.740 -0.000 0.000 0.242 545 N C -1.519 174.017 175.510 0.044 0.000 1.005 545 N CA -0.236 52.840 53.050 0.043 0.000 0.905 545 N CB 0.814 39.318 38.487 0.027 0.000 1.128 545 N HN 0.842 nan 8.380 nan 0.000 0.512 546 N N 3.388 122.118 118.700 0.049 0.000 3.331 546 N HA 0.204 4.944 4.740 -0.000 0.000 0.303 546 N C -1.377 174.149 175.510 0.028 0.000 1.326 546 N CA -0.082 52.990 53.050 0.037 0.000 1.207 546 N CB -0.408 38.096 38.487 0.029 0.000 1.477 546 N HN 0.463 nan 8.380 nan 0.000 0.541 547 N N -0.134 118.584 118.700 0.030 0.000 2.396 547 N HA 0.070 4.810 4.740 -0.000 0.000 0.275 547 N C -0.786 174.741 175.510 0.028 0.000 1.218 547 N CA -0.420 52.645 53.050 0.026 0.000 0.812 547 N CB 1.557 40.059 38.487 0.025 0.000 1.592 547 N HN 0.310 nan 8.380 nan 0.000 0.480 548 D N -0.627 119.788 120.400 0.026 0.000 2.319 548 D HA -0.006 4.634 4.640 -0.000 0.000 0.230 548 D C -0.018 176.297 176.300 0.025 0.000 1.094 548 D CA 0.500 54.517 54.000 0.028 0.000 0.856 548 D CB 0.116 40.932 40.800 0.027 0.000 0.915 548 D HN 0.476 nan 8.370 nan 0.000 0.517 549 K N -0.751 119.663 120.400 0.023 0.000 2.340 549 K HA 0.646 4.966 4.320 -0.000 0.000 0.244 549 K C -3.120 173.493 176.600 0.021 0.000 0.973 549 K CA -2.234 54.065 56.287 0.020 0.000 0.828 549 K CB 1.713 34.224 32.500 0.018 0.000 1.226 549 K HN -0.277 nan 8.250 nan 0.000 0.437 550 P HA 0.137 nan 4.420 nan 0.000 0.272 550 P C -0.841 176.471 177.300 0.020 0.000 1.223 550 P CA -0.236 62.875 63.100 0.018 0.000 0.784 550 P CB 0.466 32.176 31.700 0.016 0.000 0.923 551 M N 1.004 120.617 119.600 0.021 0.000 2.457 551 M HA 0.329 4.809 4.480 -0.000 0.000 0.300 551 M C -0.566 175.750 176.300 0.026 0.000 1.141 551 M CA -0.178 55.138 55.300 0.025 0.000 0.901 551 M CB 1.998 34.618 32.600 0.032 0.000 1.687 551 M HN 0.155 nan 8.290 nan 0.000 0.449 552 T N 4.152 118.723 114.554 0.028 0.000 2.815 552 T HA 0.692 5.042 4.350 -0.000 0.000 0.289 552 T C -0.353 174.372 174.700 0.042 0.000 1.000 552 T CA -0.486 61.632 62.100 0.030 0.000 0.958 552 T CB 0.910 69.791 68.868 0.021 0.000 0.944 552 T HN 0.455 nan 8.240 nan 0.000 0.442 553 L N 5.365 126.627 121.223 0.066 0.000 2.298 553 L HA 0.411 4.751 4.340 -0.000 0.000 0.284 553 L C -2.390 174.533 176.870 0.087 0.000 1.013 553 L CA -2.474 52.427 54.840 0.102 0.000 0.824 553 L CB 1.386 43.574 42.059 0.214 0.000 1.221 553 L HN 0.277 nan 8.230 nan 0.000 0.418 554 P HA -0.004 nan 4.420 nan 0.000 0.264 554 P C 0.790 178.059 177.300 -0.051 0.000 1.193 554 P CA 0.051 63.137 63.100 -0.023 0.000 0.763 554 P CB 0.652 32.312 31.700 -0.067 0.000 0.810 555 T N -0.346 114.217 114.554 0.014 0.000 3.100 555 T HA 0.096 4.446 4.350 -0.000 0.000 0.253 555 T C 1.690 176.359 174.700 -0.051 0.000 1.118 555 T CA 0.512 62.663 62.100 0.085 0.000 1.058 555 T CB -0.489 68.469 68.868 0.151 0.000 0.953 555 T HN 0.270 nan 8.240 nan 0.000 0.515 556 A N 2.565 125.321 122.820 -0.107 0.000 1.927 556 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 556 A C 2.465 179.924 177.584 -0.209 0.000 1.185 556 A CA 1.878 53.844 52.037 -0.118 0.000 0.639 556 A CB -0.865 18.076 19.000 -0.098 0.000 0.820 556 A HN 0.543 nan 8.150 nan 0.000 0.451 557 R N -1.633 118.602 120.500 -0.441 0.000 2.127 557 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 557 R C 0.568 176.510 176.300 -0.597 0.000 1.134 557 R CA 1.768 57.491 56.100 -0.628 0.000 0.975 557 R CB -0.242 29.389 30.300 -1.114 0.000 0.865 557 R HN 0.514 nan 8.270 nan 0.000 0.447 558 F N 0.167 119.980 119.950 -0.228 0.000 2.641 558 F HA 0.236 4.763 4.527 -0.000 0.000 0.302 558 F C 1.600 177.324 175.800 -0.127 0.000 1.098 558 F CA -0.399 57.387 58.000 -0.357 0.000 1.318 558 F CB 0.307 39.073 39.000 -0.389 0.000 1.035 558 F HN -0.128 nan 8.300 nan 0.000 0.551 559 Q N 1.225 121.045 119.800 0.033 0.000 2.291 559 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 559 Q C 2.010 178.001 176.000 -0.014 0.000 0.976 559 Q CA 1.469 57.278 55.803 0.010 0.000 0.875 559 Q CB -0.419 28.316 28.738 -0.006 0.000 0.927 559 Q HN 0.676 nan 8.270 nan 0.000 0.450 560 E N -0.896 119.320 120.200 0.026 0.000 2.265 560 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 560 E C 1.499 177.998 176.600 -0.168 0.000 0.996 560 E CA 0.788 57.168 56.400 -0.033 0.000 0.832 560 E CB 0.018 29.726 29.700 0.013 0.000 0.756 560 E HN 0.200 nan 8.360 nan 0.000 0.491 561 M N 0.092 119.532 119.600 -0.267 0.000 2.657 561 M HA 0.188 4.668 4.480 -0.000 0.000 0.262 561 M C 2.166 178.179 176.300 -0.477 0.000 1.213 561 M CA 0.469 55.380 55.300 -0.648 0.000 1.182 561 M CB -0.004 31.683 32.600 -1.521 0.000 1.303 561 M HN 0.168 nan 8.290 nan 0.000 0.501 562 L N 0.079 121.154 121.223 -0.246 0.000 2.209 562 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 562 L C 0.521 177.369 176.870 -0.038 0.000 1.094 562 L CA 0.213 55.016 54.840 -0.062 0.000 0.790 562 L CB -0.112 41.981 42.059 0.057 0.000 0.932 562 L HN 0.204 nan 8.230 nan 0.000 0.447 563 K N 0.999 121.370 120.400 -0.049 0.000 3.311 563 K HA -0.242 4.078 4.320 -0.000 0.000 0.270 563 K C 0.960 177.554 176.600 -0.009 0.000 0.927 563 K CA 0.789 57.057 56.287 -0.032 0.000 0.706 563 K CB -2.153 30.321 32.500 -0.044 0.000 1.418 563 K HN 0.661 nan 8.250 nan 0.000 0.459 564 G N -1.382 107.419 108.800 0.002 0.000 2.162 564 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 564 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 564 G C 0.338 175.248 174.900 0.017 0.000 0.976 564 G CA 0.699 45.805 45.100 0.009 0.000 0.655 564 G HN 1.100 nan 8.290 nan 0.000 0.533 565 A N 0.893 123.727 122.820 0.023 0.000 2.561 565 A HA 0.492 4.812 4.320 -0.000 0.000 0.251 565 A C 0.205 177.807 177.584 0.031 0.000 1.062 565 A CA 0.399 52.454 52.037 0.031 0.000 0.761 565 A CB 0.405 19.433 19.000 0.046 0.000 0.986 565 A HN 0.261 nan 8.150 nan 0.000 0.510 566 P HA 0.007 nan 4.420 nan 0.000 0.227 566 P C 0.239 177.552 177.300 0.021 0.000 1.161 566 P CA 1.338 64.450 63.100 0.021 0.000 0.788 566 P CB 0.088 31.798 31.700 0.016 0.000 0.822 567 S N -2.917 112.796 115.700 0.022 0.000 2.656 567 S HA 0.679 5.149 4.470 -0.000 0.000 0.265 567 S C -0.697 173.914 174.600 0.020 0.000 1.132 567 S CA -0.260 57.951 58.200 0.017 0.000 0.819 567 S CB 1.246 64.454 63.200 0.013 0.000 1.119 567 S HN 0.321 nan 8.310 nan 0.000 0.476 568 G N -0.609 108.199 108.800 0.012 0.000 2.608 568 G HA2 0.592 4.552 3.960 -0.000 0.000 0.291 568 G HA3 0.592 4.552 3.960 -0.000 0.000 0.291 568 G C -1.899 173.007 174.900 0.010 0.000 1.425 568 G CA -0.426 44.684 45.100 0.016 0.000 0.787 568 G HN 1.210 nan 8.290 nan 0.000 0.484 569 V N 0.888 120.814 119.914 0.019 0.000 2.427 569 V HA 0.354 4.474 4.120 -0.000 0.000 0.286 569 V C -0.322 175.782 176.094 0.017 0.000 1.034 569 V CA -0.545 61.766 62.300 0.019 0.000 0.893 569 V CB 1.538 33.382 31.823 0.036 0.000 0.982 569 V HN 0.783 nan 8.190 nan 0.000 0.452 570 D N 3.069 123.464 120.400 -0.008 0.000 2.346 570 D HA 0.012 4.652 4.640 -0.000 0.000 0.260 570 D C 0.732 177.024 176.300 -0.013 0.000 1.252 570 D CA -0.115 53.869 54.000 -0.026 0.000 0.895 570 D CB 0.494 41.261 40.800 -0.056 0.000 1.097 570 D HN 0.403 nan 8.370 nan 0.000 0.489 571 F N 4.282 124.127 119.950 -0.175 0.000 2.192 571 F HA -0.173 4.354 4.527 -0.000 0.000 0.301 571 F C 1.259 176.916 175.800 -0.239 0.000 1.079 571 F CA 1.370 59.222 58.000 -0.246 0.000 1.303 571 F CB -0.053 38.673 39.000 -0.457 0.000 1.024 571 F HN 0.463 nan 8.300 nan 0.000 0.494 572 L N -0.480 120.542 121.223 -0.335 0.000 1.993 572 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 572 L C 2.697 179.400 176.870 -0.279 0.000 1.074 572 L CA 1.661 56.276 54.840 -0.375 0.000 0.746 572 L CB -1.235 40.703 42.059 -0.202 0.000 0.896 572 L HN 0.242 nan 8.230 nan 0.000 0.435 573 S N -0.772 114.831 115.700 -0.162 0.000 2.496 573 S HA 0.079 4.549 4.470 -0.000 0.000 0.224 573 S C 1.640 176.177 174.600 -0.103 0.000 0.996 573 S CA 0.497 58.635 58.200 -0.104 0.000 0.927 573 S CB 0.322 63.487 63.200 -0.059 0.000 0.774 573 S HN 0.622 nan 8.310 nan 0.000 0.524 574 G N 2.215 110.944 108.800 -0.118 0.000 2.184 574 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.264 574 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.264 574 G C 0.027 174.903 174.900 -0.038 0.000 0.975 574 G CA 0.534 45.589 45.100 -0.075 0.000 0.642 574 G HN 0.990 nan 8.290 nan 0.000 0.536 575 K N 0.431 120.808 120.400 -0.038 0.000 2.258 575 K HA 0.498 4.818 4.320 -0.000 0.000 0.264 575 K C 0.316 176.907 176.600 -0.016 0.000 1.007 575 K CA 0.262 56.535 56.287 -0.023 0.000 0.941 575 K CB 0.847 33.334 32.500 -0.022 0.000 0.966 575 K HN 0.227 nan 8.250 nan 0.000 0.480 576 T N 0.946 115.495 114.554 -0.009 0.000 2.913 576 T HA 0.248 4.598 4.350 -0.000 0.000 0.297 576 T C -0.696 173.998 174.700 -0.009 0.000 1.029 576 T CA -0.700 61.397 62.100 -0.005 0.000 1.104 576 T CB 0.500 69.368 68.868 0.001 0.000 0.964 576 T HN 0.370 nan 8.240 nan 0.000 0.532 577 V N 4.511 124.419 119.914 -0.010 0.000 2.483 577 V HA 0.608 4.728 4.120 -0.000 0.000 0.297 577 V C 0.987 177.077 176.094 -0.007 0.000 1.027 577 V CA -0.924 61.367 62.300 -0.016 0.000 0.855 577 V CB 1.456 33.260 31.823 -0.033 0.000 0.995 577 V HN 1.152 nan 8.190 nan 0.000 0.424 578 G N 3.356 112.155 108.800 -0.002 0.000 2.442 578 G HA2 0.477 4.437 3.960 -0.000 0.000 0.249 578 G HA3 0.477 4.437 3.960 -0.000 0.000 0.249 578 G C 0.218 175.124 174.900 0.010 0.000 1.263 578 G CA -0.130 44.973 45.100 0.005 0.000 0.846 578 G HN 0.737 nan 8.290 nan 0.000 0.555 579 L N 2.107 123.342 121.223 0.019 0.000 3.217 579 L HA 0.209 4.549 4.340 -0.000 0.000 0.288 579 L C 2.461 179.355 176.870 0.040 0.000 1.202 579 L CA 0.307 55.167 54.840 0.034 0.000 1.027 579 L CB 0.623 42.705 42.059 0.039 0.000 1.427 579 L HN 0.730 nan 8.230 nan 0.000 0.600 580 G N 0.745 109.562 108.800 0.028 0.000 2.459 580 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 580 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 580 G C 1.707 176.621 174.900 0.023 0.000 1.183 580 G CA 0.801 45.915 45.100 0.023 0.000 0.776 580 G HN 0.259 nan 8.290 nan 0.000 0.552 581 R N -0.617 119.896 120.500 0.021 0.000 2.470 581 R HA 0.227 4.567 4.340 -0.000 0.000 0.210 581 R C 0.064 176.376 176.300 0.020 0.000 0.873 581 R CA 0.410 56.519 56.100 0.015 0.000 1.015 581 R CB 0.714 31.019 30.300 0.008 0.000 1.348 581 R HN 0.583 nan 8.270 nan 0.000 0.650 582 E N 0.893 121.110 120.200 0.028 0.000 2.366 582 E HA 0.301 4.651 4.350 -0.000 0.000 0.278 582 E C -1.578 175.048 176.600 0.042 0.000 0.923 582 E CA -0.925 55.497 56.400 0.036 0.000 0.761 582 E CB 1.988 31.701 29.700 0.023 0.000 1.231 582 E HN -0.113 nan 8.360 nan 0.000 0.443 583 L N 2.059 123.316 121.223 0.058 0.000 2.280 583 L HA 0.452 4.792 4.340 -0.000 0.000 0.287 583 L C -0.863 176.021 176.870 0.023 0.000 1.023 583 L CA -0.421 54.439 54.840 0.034 0.000 0.819 583 L CB 0.961 43.038 42.059 0.030 0.000 1.212 583 L HN 0.541 nan 8.230 nan 0.000 0.420 584 R N 6.334 126.839 120.500 0.009 0.000 2.198 584 R HA 0.502 4.842 4.340 -0.000 0.000 0.339 584 R C -1.200 175.099 176.300 -0.001 0.000 1.020 584 R CA -0.526 55.578 56.100 0.008 0.000 0.864 584 R CB 0.801 31.105 30.300 0.007 0.000 1.105 584 R HN 0.630 nan 8.270 nan 0.000 0.463 585 L N 2.787 124.011 121.223 0.002 0.000 2.296 585 L HA 0.446 4.786 4.340 -0.000 0.000 0.286 585 L C 0.541 177.414 176.870 0.006 0.000 1.023 585 L CA -0.735 54.103 54.840 -0.004 0.000 0.812 585 L CB 1.770 43.826 42.059 -0.005 0.000 1.223 585 L HN 0.656 nan 8.230 nan 0.000 0.421 586 A N 5.402 128.226 122.820 0.005 0.000 2.448 586 A HA 0.417 4.737 4.320 -0.000 0.000 0.239 586 A C -2.305 175.291 177.584 0.020 0.000 1.080 586 A CA -1.012 51.034 52.037 0.014 0.000 0.779 586 A CB -0.482 18.527 19.000 0.015 0.000 1.026 586 A HN 0.455 nan 8.150 nan 0.000 0.499 587 P HA 0.036 nan 4.420 nan 0.000 0.261 587 P C -0.341 176.982 177.300 0.038 0.000 1.173 587 P CA 0.668 63.787 63.100 0.031 0.000 0.760 587 P CB 0.078 31.797 31.700 0.033 0.000 0.783 588 K N -0.848 119.576 120.400 0.039 0.000 3.069 588 K HA -0.180 4.140 4.320 -0.000 0.000 0.267 588 K C 0.287 176.912 176.600 0.043 0.000 1.082 588 K CA 0.547 56.863 56.287 0.047 0.000 0.782 588 K CB -1.734 30.805 32.500 0.065 0.000 1.230 588 K HN 0.491 nan 8.250 nan 0.000 0.488 589 S N 0.277 115.993 115.700 0.027 0.000 2.616 589 S HA 0.582 5.052 4.470 -0.000 0.000 0.277 589 S C -0.480 174.117 174.600 -0.006 0.000 1.234 589 S CA -0.470 57.737 58.200 0.011 0.000 1.028 589 S CB 1.850 65.050 63.200 -0.000 0.000 0.988 589 S HN 0.282 nan 8.310 nan 0.000 0.522 590 V N 5.001 124.900 119.914 -0.025 0.000 2.709 590 V HA 0.819 4.939 4.120 -0.000 0.000 0.308 590 V C -0.872 175.173 176.094 -0.083 0.000 1.062 590 V CA -0.311 61.956 62.300 -0.055 0.000 0.901 590 V CB 1.783 33.581 31.823 -0.042 0.000 1.003 590 V HN 1.002 nan 8.190 nan 0.000 0.425 591 V N 4.275 124.116 119.914 -0.123 0.000 2.864 591 V HA 0.902 5.022 4.120 -0.000 0.000 0.314 591 V C -1.010 174.979 176.094 -0.174 0.000 1.073 591 V CA -0.666 61.555 62.300 -0.132 0.000 0.956 591 V CB 1.941 33.691 31.823 -0.121 0.000 1.023 591 V HN 0.705 nan 8.190 nan 0.000 0.435 592 V N 4.690 124.519 119.914 -0.141 0.000 2.447 592 V HA 0.546 4.666 4.120 -0.000 0.000 0.292 592 V C -0.491 175.557 176.094 -0.077 0.000 1.021 592 V CA -0.126 62.090 62.300 -0.140 0.000 0.850 592 V CB 1.308 33.041 31.823 -0.150 0.000 1.005 592 V HN 0.825 nan 8.190 nan 0.000 0.426 593 I N 3.773 124.290 120.570 -0.088 0.000 2.418 593 I HA 0.468 4.638 4.170 -0.000 0.000 0.287 593 I C -0.018 176.108 176.117 0.015 0.000 1.008 593 I CA -0.433 60.846 61.300 -0.034 0.000 1.104 593 I CB 2.135 40.094 38.000 -0.068 0.000 1.264 593 I HN 0.587 nan 8.210 nan 0.000 0.438 594 E N 7.195 127.430 120.200 0.059 0.000 2.197 594 E HA 0.653 5.003 4.350 -0.000 0.000 0.281 594 E C -1.498 175.143 176.600 0.069 0.000 0.995 594 E CA -0.459 55.990 56.400 0.081 0.000 0.808 594 E CB 1.230 30.987 29.700 0.095 0.000 1.093 594 E HN 0.486 nan 8.360 nan 0.000 0.394 595 L N 4.887 126.157 121.223 0.079 0.000 2.376 595 L HA 0.533 4.873 4.340 -0.000 0.000 0.258 595 L C -2.329 174.579 176.870 0.063 0.000 1.013 595 L CA -2.551 52.333 54.840 0.073 0.000 0.822 595 L CB 2.138 44.254 42.059 0.096 0.000 1.388 595 L HN 0.510 nan 8.230 nan 0.000 0.413 596 P HA 0.095 nan 4.420 nan 0.000 0.272 596 P C -0.144 177.182 177.300 0.044 0.000 1.230 596 P CA -0.235 62.887 63.100 0.037 0.000 0.788 596 P CB 0.395 32.111 31.700 0.027 0.000 0.949 597 G N 1.285 110.109 108.800 0.039 0.000 2.554 597 G HA2 0.235 4.195 3.960 -0.000 0.000 0.238 597 G HA3 0.235 4.195 3.960 -0.000 0.000 0.238 597 G C -0.475 174.448 174.900 0.038 0.000 1.259 597 G CA -0.268 44.862 45.100 0.051 0.000 0.843 597 G HN 0.348 nan 8.290 nan 0.000 0.582 598 L N 2.026 123.274 121.223 0.041 0.000 2.439 598 L HA 0.315 4.654 4.340 -0.000 0.000 0.269 598 L C -1.142 175.740 176.870 0.020 0.000 1.179 598 L CA -1.324 53.524 54.840 0.013 0.000 0.828 598 L CB 0.250 42.300 42.059 -0.015 0.000 1.106 598 L HN 0.390 nan 8.230 nan 0.000 0.467 599 P HA 0.000 nan 4.420 nan 0.000 0.216 599 P CA 0.000 63.106 63.100 0.010 0.000 0.800 599 P CB 0.000 31.702 31.700 0.004 0.000 0.726