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 3hk7_1_B DATA FIRST_RESID 2 DATA SEQUENCE SINSREVLAE KVKNAVNNQP VTDMHTHLFS PNFGEILLWD IDELLTYHYL DATA SEQUENCE VAEVMRWTDV SIEAFWAMSK REQADLIWEE LFIKRSPVSE ACRGVLTCLQ DATA SEQUENCE GLGLDPATRD LQVYREYFAK KTSEEQVDTV LQLANVSDVV MTNDPFDDNE DATA SEQUENCE RISWLEGKQP DSRFHAALRL DPLLNEYEQT KHRLRDWGYK VNDEWNEGSI DATA SEQUENCE QEVKRFLTDW IERMDPVYMA VSLPPTFSFP EESNRGRIIR DCLLPVAEKH DATA SEQUENCE NIPFAMMIGV KKRVHPALGD AGDFVGKASM DGVEHLLREY PNNKFLVTML DATA SEQUENCE SRENQHELVV LARKFSNLMI FGCWWFMNNP EIINEMTRMR MEMLGTSFIP DATA SEQUENCE QHSDARVLEQ LIYKWHHSKS IIAEVLIDKY DDILQAGWEV TEEEIKRDVA DATA SEQUENCE DLFSRNFWRF VGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.577 174.600 -0.039 0.000 1.055 2 S CA 0.000 58.169 58.200 -0.052 0.000 1.107 2 S CB 0.000 63.156 63.200 -0.074 0.000 0.593 3 I N 2.843 123.390 120.570 -0.038 0.000 2.416 3 I HA 0.285 4.455 4.170 0.001 0.000 0.288 3 I C 0.999 177.110 176.117 -0.011 0.000 1.051 3 I CA -0.033 61.252 61.300 -0.026 0.000 1.375 3 I CB 0.499 38.477 38.000 -0.037 0.000 1.407 3 I HN 0.837 nan 8.210 nan 0.000 0.516 4 N N 3.497 122.195 118.700 -0.004 0.000 2.238 4 N HA 0.116 4.857 4.740 0.001 0.000 0.235 4 N C -0.484 175.035 175.510 0.016 0.000 1.209 4 N CA -0.456 52.598 53.050 0.007 0.000 0.879 4 N CB 0.691 39.178 38.487 -0.000 0.000 1.136 4 N HN 0.563 nan 8.380 nan 0.000 0.517 5 S N -0.664 115.047 115.700 0.017 0.000 2.541 5 S HA 0.333 4.804 4.470 0.001 0.000 0.271 5 S C 0.371 174.988 174.600 0.029 0.000 1.133 5 S CA -0.928 57.285 58.200 0.022 0.000 0.876 5 S CB 2.702 65.912 63.200 0.016 0.000 1.105 5 S HN 0.165 nan 8.310 nan 0.000 0.470 6 R N 0.801 121.323 120.500 0.037 0.000 2.120 6 R HA -0.089 4.252 4.340 0.001 0.000 0.234 6 R C 1.549 177.872 176.300 0.037 0.000 1.123 6 R CA 1.893 58.020 56.100 0.045 0.000 0.975 6 R CB -0.186 30.143 30.300 0.049 0.000 0.866 6 R HN 0.815 nan 8.270 nan 0.000 0.446 7 E N 0.063 120.280 120.200 0.029 0.000 2.031 7 E HA -0.162 4.189 4.350 0.001 0.000 0.193 7 E C 2.078 178.690 176.600 0.019 0.000 0.994 7 E CA 1.285 57.700 56.400 0.024 0.000 0.800 7 E CB -0.631 29.081 29.700 0.019 0.000 0.752 7 E HN 0.211 nan 8.360 nan 0.000 0.447 8 V N 1.687 121.609 119.914 0.013 0.000 2.427 8 V HA -0.197 3.924 4.120 0.001 0.000 0.248 8 V C 2.483 178.577 176.094 -0.001 0.000 1.051 8 V CA 1.282 63.585 62.300 0.004 0.000 1.048 8 V CB -0.572 31.250 31.823 -0.002 0.000 0.666 8 V HN 0.098 nan 8.190 nan 0.000 0.456 9 L N 1.113 122.339 121.223 0.004 0.000 2.012 9 L HA -0.122 4.219 4.340 0.001 0.000 0.210 9 L C 2.474 179.352 176.870 0.015 0.000 1.073 9 L CA 2.484 57.320 54.840 -0.006 0.000 0.748 9 L CB -0.956 41.117 42.059 0.022 0.000 0.891 9 L HN 0.229 nan 8.230 nan 0.000 0.431 10 A N -1.147 121.695 122.820 0.038 0.000 1.933 10 A HA -0.247 4.074 4.320 0.001 0.000 0.218 10 A C 2.317 179.923 177.584 0.037 0.000 1.175 10 A CA 1.737 53.805 52.037 0.051 0.000 0.628 10 A CB -0.693 18.337 19.000 0.051 0.000 0.814 10 A HN 0.631 nan 8.150 nan 0.000 0.444 11 E N -0.128 120.085 120.200 0.022 0.000 2.031 11 E HA -0.227 4.124 4.350 0.001 0.000 0.193 11 E C 1.714 178.319 176.600 0.009 0.000 0.994 11 E CA 1.336 57.745 56.400 0.015 0.000 0.800 11 E CB -0.062 29.643 29.700 0.009 0.000 0.752 11 E HN 0.347 nan 8.360 nan 0.000 0.447 12 K N 0.356 120.754 120.400 -0.003 0.000 2.057 12 K HA -0.080 4.240 4.320 0.001 0.000 0.206 12 K C 2.272 178.870 176.600 -0.003 0.000 1.050 12 K CA 0.743 57.021 56.287 -0.015 0.000 0.935 12 K CB -0.770 31.704 32.500 -0.042 0.000 0.715 12 K HN 0.114 nan 8.250 nan 0.000 0.439 13 V N 2.021 121.942 119.914 0.012 0.000 2.261 13 V HA -0.244 3.876 4.120 0.001 0.000 0.246 13 V C 2.328 178.466 176.094 0.074 0.000 1.047 13 V CA 1.768 64.109 62.300 0.068 0.000 1.015 13 V CB -0.428 31.478 31.823 0.139 0.000 0.642 13 V HN 0.329 nan 8.190 nan 0.000 0.446 14 K N -0.030 120.405 120.400 0.058 0.000 2.103 14 K HA -0.210 4.111 4.320 0.001 0.000 0.207 14 K C 2.152 178.762 176.600 0.015 0.000 1.048 14 K CA 1.554 57.865 56.287 0.041 0.000 0.930 14 K CB -0.346 32.173 32.500 0.032 0.000 0.716 14 K HN 0.425 nan 8.250 nan 0.000 0.444 15 N N 0.698 119.405 118.700 0.011 0.000 2.058 15 N HA -0.131 4.609 4.740 0.001 0.000 0.191 15 N C 1.822 177.327 175.510 -0.009 0.000 1.037 15 N CA 1.373 54.421 53.050 -0.003 0.000 0.848 15 N CB -0.080 38.405 38.487 -0.003 0.000 1.021 15 N HN 0.163 nan 8.380 nan 0.000 0.422 16 A N 0.892 123.716 122.820 0.006 0.000 1.883 16 A HA -0.106 4.215 4.320 0.001 0.000 0.217 16 A C 2.539 180.120 177.584 -0.005 0.000 1.186 16 A CA 1.455 53.499 52.037 0.012 0.000 0.624 16 A CB -0.871 18.154 19.000 0.043 0.000 0.822 16 A HN 0.153 nan 8.150 nan 0.000 0.444 17 V N 1.027 120.949 119.914 0.012 0.000 2.343 17 V HA -0.233 3.888 4.120 0.001 0.000 0.247 17 V C 2.032 178.009 176.094 -0.195 0.000 1.051 17 V CA 2.087 64.358 62.300 -0.049 0.000 1.036 17 V CB -0.834 31.026 31.823 0.061 0.000 0.654 17 V HN 0.579 nan 8.190 nan 0.000 0.451 18 N N 0.241 118.871 118.700 -0.117 0.000 2.446 18 N HA -0.038 4.702 4.740 0.001 0.000 0.179 18 N C 1.420 176.855 175.510 -0.126 0.000 1.054 18 N CA 0.595 53.567 53.050 -0.130 0.000 0.905 18 N CB -0.192 38.250 38.487 -0.076 0.000 0.973 18 N HN 0.483 nan 8.380 nan 0.000 0.448 19 N N 0.728 119.365 118.700 -0.104 0.000 2.409 19 N HA -0.058 4.683 4.740 0.001 0.000 0.174 19 N C 0.496 175.937 175.510 -0.114 0.000 1.037 19 N CA 0.200 53.198 53.050 -0.087 0.000 0.898 19 N CB -0.060 38.396 38.487 -0.051 0.000 1.010 19 N HN 0.220 nan 8.380 nan 0.000 0.445 20 Q N 2.740 122.453 119.800 -0.145 0.000 2.247 20 Q HA 0.112 4.452 4.340 0.001 0.000 0.288 20 Q C -2.564 173.307 176.000 -0.215 0.000 1.079 20 Q CA -1.124 54.589 55.803 -0.150 0.000 0.932 20 Q CB 0.553 29.205 28.738 -0.144 0.000 1.133 20 Q HN 0.029 nan 8.270 nan 0.000 0.377 21 P HA 0.007 nan 4.420 nan 0.000 0.267 21 P C -1.127 176.052 177.300 -0.202 0.000 1.209 21 P CA -0.078 62.927 63.100 -0.158 0.000 0.763 21 P CB 0.768 32.417 31.700 -0.086 0.000 0.816 22 V N 4.311 124.021 119.914 -0.339 0.000 2.509 22 V HA 0.268 4.389 4.120 0.001 0.000 0.284 22 V C 0.618 176.493 176.094 -0.365 0.000 1.047 22 V CA 0.100 62.114 62.300 -0.477 0.000 0.952 22 V CB 1.470 32.681 31.823 -1.020 0.000 0.988 22 V HN 0.446 nan 8.190 nan 0.000 0.469 23 T N 3.185 117.575 114.554 -0.273 0.000 2.821 23 T HA 0.178 4.529 4.350 0.001 0.000 0.307 23 T C -0.300 174.224 174.700 -0.293 0.000 1.034 23 T CA -0.235 61.744 62.100 -0.200 0.000 0.953 23 T CB 0.323 69.147 68.868 -0.074 0.000 0.968 23 T HN 0.690 nan 8.240 nan 0.000 0.462 24 D N 4.659 124.932 120.400 -0.212 0.000 2.470 24 D HA 0.104 4.744 4.640 0.001 0.000 0.226 24 D C 1.170 177.369 176.300 -0.168 0.000 1.196 24 D CA -0.583 53.443 54.000 0.044 0.000 0.979 24 D CB 0.634 41.555 40.800 0.202 0.000 1.059 24 D HN 0.430 nan 8.370 nan 0.000 0.515 25 M N 2.141 121.498 119.600 -0.406 0.000 2.752 25 M HA 0.169 4.650 4.480 0.001 0.000 0.214 25 M C -0.492 175.630 176.300 -0.296 0.000 1.123 25 M CA 0.242 55.080 55.300 -0.770 0.000 1.017 25 M CB -0.512 31.000 32.600 -1.814 0.000 1.785 25 M HN 0.235 nan 8.290 nan 0.000 0.499 26 H N -0.809 118.135 119.070 -0.209 0.000 3.351 26 H HA 0.468 5.025 4.556 0.001 0.000 0.334 26 H C -1.289 173.990 175.328 -0.080 0.000 1.557 26 H CA -0.177 55.764 56.048 -0.178 0.000 1.622 26 H CB 0.251 29.805 29.762 -0.347 0.000 2.460 26 H HN 0.435 nan 8.280 nan 0.000 0.344 27 T N 1.167 115.310 114.554 -0.684 0.000 2.754 27 T HA 0.359 4.710 4.350 0.001 0.000 0.296 27 T C -0.549 173.670 174.700 -0.803 0.000 1.205 27 T CA -0.842 60.909 62.100 -0.582 0.000 1.009 27 T CB 1.744 70.472 68.868 -0.233 0.000 1.368 27 T HN 0.656 nan 8.240 nan 0.000 0.509 28 H N 0.238 119.111 119.070 -0.328 0.000 2.549 28 H HA 0.450 5.006 4.556 0.001 0.000 0.253 28 H C -0.288 174.751 175.328 -0.482 0.000 1.170 28 H CA -0.162 55.678 56.048 -0.347 0.000 0.943 28 H CB 0.162 29.842 29.762 -0.136 0.000 1.849 28 H HN 0.328 nan 8.280 nan 0.000 0.603 29 L N 0.112 121.079 121.223 -0.428 0.000 2.365 29 L HA 0.467 4.807 4.340 0.001 0.000 0.267 29 L C -0.603 175.863 176.870 -0.673 0.000 1.033 29 L CA -0.767 53.882 54.840 -0.319 0.000 0.802 29 L CB 1.081 43.130 42.059 -0.017 0.000 1.267 29 L HN -0.097 nan 8.230 nan 0.000 0.457 30 F N -1.052 118.828 119.950 -0.118 0.000 2.588 30 F HA 0.287 4.814 4.527 0.001 0.000 0.310 30 F C 0.422 175.717 175.800 -0.842 0.000 1.082 30 F CA -0.691 57.059 58.000 -0.416 0.000 0.929 30 F CB 1.964 40.751 39.000 -0.355 0.000 1.254 30 F HN 0.291 nan 8.300 nan 0.000 0.455 31 S N 3.807 118.826 115.700 -1.135 0.000 2.558 31 S HA 0.050 4.521 4.470 0.001 0.000 0.291 31 S C -1.156 173.074 174.600 -0.617 0.000 1.306 31 S CA -0.896 56.360 58.200 -1.572 0.000 1.056 31 S CB 0.609 63.347 63.200 -0.770 0.000 0.836 31 S HN 0.502 nan 8.310 nan 0.000 0.504 32 P HA -0.147 nan 4.420 nan 0.000 0.221 32 P C 0.927 178.216 177.300 -0.019 0.000 1.145 32 P CA 1.002 64.020 63.100 -0.136 0.000 0.795 32 P CB -0.244 31.395 31.700 -0.102 0.000 0.775 33 N N -0.274 118.432 118.700 0.010 0.000 2.459 33 N HA -0.136 4.605 4.740 0.001 0.000 0.181 33 N C 1.324 176.853 175.510 0.031 0.000 1.046 33 N CA 0.722 53.786 53.050 0.023 0.000 0.904 33 N CB -1.241 37.249 38.487 0.004 0.000 0.964 33 N HN 0.089 nan 8.380 nan 0.000 0.444 34 F N 1.085 120.925 119.950 -0.184 0.000 2.604 34 F HA 0.198 4.725 4.527 0.001 0.000 0.298 34 F C 2.091 177.804 175.800 -0.146 0.000 1.131 34 F CA 0.556 58.435 58.000 -0.201 0.000 1.457 34 F CB -0.535 38.316 39.000 -0.249 0.000 1.095 34 F HN 0.362 nan 8.300 nan 0.000 0.574 35 G N 0.143 108.988 108.800 0.074 0.000 2.481 35 G HA2 -0.262 3.699 3.960 0.001 0.000 0.230 35 G HA3 -0.262 3.699 3.960 0.001 0.000 0.230 35 G C 0.866 175.820 174.900 0.090 0.000 1.210 35 G CA -0.020 45.111 45.100 0.052 0.000 0.936 35 G HN 0.215 nan 8.290 nan 0.000 0.583 36 E N 0.656 120.898 120.200 0.071 0.000 2.265 36 E HA -0.102 4.248 4.350 0.001 0.000 0.196 36 E C 2.557 179.217 176.600 0.100 0.000 0.996 36 E CA 1.271 57.725 56.400 0.090 0.000 0.832 36 E CB -0.264 29.466 29.700 0.051 0.000 0.756 36 E HN 0.637 nan 8.360 nan 0.000 0.491 37 I N -0.200 120.400 120.570 0.050 0.000 2.399 37 I HA -0.171 3.999 4.170 0.001 0.000 0.254 37 I C 1.220 177.503 176.117 0.277 0.000 1.146 37 I CA 0.368 61.695 61.300 0.045 0.000 1.412 37 I CB -0.509 37.284 38.000 -0.344 0.000 1.076 37 I HN 0.007 nan 8.210 nan 0.000 0.432 38 L N 3.301 124.696 121.223 0.286 0.000 2.407 38 L HA 0.360 4.700 4.340 0.001 0.000 0.282 38 L C -0.260 176.816 176.870 0.342 0.000 1.110 38 L CA 0.067 55.110 54.840 0.339 0.000 0.863 38 L CB 0.099 42.302 42.059 0.239 0.000 1.207 38 L HN 0.108 nan 8.230 nan 0.000 0.454 39 L N 6.524 127.921 121.223 0.289 0.000 2.375 39 L HA 0.537 4.877 4.340 0.001 0.000 0.271 39 L C -0.478 176.580 176.870 0.314 0.000 1.107 39 L CA -0.416 54.552 54.840 0.214 0.000 0.806 39 L CB 0.918 43.058 42.059 0.135 0.000 1.146 39 L HN 0.761 nan 8.230 nan 0.000 0.447 40 W N 2.819 124.119 121.300 -0.001 0.000 3.173 40 W HA 0.456 5.116 4.660 0.001 0.000 0.313 40 W C -1.851 174.576 176.519 -0.153 0.000 1.228 40 W CA -0.900 56.420 57.345 -0.041 0.000 1.185 40 W CB 0.813 30.293 29.460 0.033 0.000 1.390 40 W HN 0.735 nan 8.180 nan 0.000 0.568 41 D N 0.301 120.576 120.400 -0.208 0.000 10.460 41 D HA -0.209 4.432 4.640 0.001 0.000 0.328 41 D C -0.686 175.059 176.300 -0.925 0.000 3.160 41 D CA -0.003 53.375 54.000 -1.038 0.000 2.703 41 D CB -0.538 39.691 40.800 -0.950 0.000 1.287 41 D HN 0.411 nan 8.370 nan 0.000 0.958 42 I N 1.053 120.908 120.570 -1.190 0.000 2.361 42 I HA -0.146 4.024 4.170 0.001 0.000 0.251 42 I C 1.780 177.756 176.117 -0.235 0.000 1.133 42 I CA 1.763 62.799 61.300 -0.440 0.000 1.413 42 I CB -0.441 37.489 38.000 -0.118 0.000 1.073 42 I HN 0.382 nan 8.210 nan 0.000 0.424 43 D N 0.277 120.530 120.400 -0.246 0.000 2.149 43 D HA -0.135 4.506 4.640 0.001 0.000 0.201 43 D C 1.931 178.187 176.300 -0.074 0.000 0.972 43 D CA 0.847 54.770 54.000 -0.128 0.000 0.835 43 D CB -0.029 40.692 40.800 -0.131 0.000 0.966 43 D HN 0.402 nan 8.370 nan 0.000 0.476 44 E N 0.828 120.951 120.200 -0.129 0.000 2.106 44 E HA -0.058 4.292 4.350 0.001 0.000 0.192 44 E C 2.537 179.144 176.600 0.013 0.000 0.984 44 E CA 0.145 56.517 56.400 -0.046 0.000 0.806 44 E CB -0.244 29.405 29.700 -0.086 0.000 0.750 44 E HN 0.358 nan 8.360 nan 0.000 0.458 45 L N 0.313 121.515 121.223 -0.036 0.000 2.017 45 L HA -0.158 4.182 4.340 0.001 0.000 0.208 45 L C 2.546 179.494 176.870 0.129 0.000 1.073 45 L CA 0.908 55.754 54.840 0.010 0.000 0.745 45 L CB -0.405 41.649 42.059 -0.008 0.000 0.894 45 L HN 0.113 nan 8.230 nan 0.000 0.432 46 L N -0.571 120.724 121.223 0.120 0.000 2.201 46 L HA -0.127 4.214 4.340 0.001 0.000 0.212 46 L C 2.218 179.243 176.870 0.259 0.000 1.105 46 L CA 1.477 56.440 54.840 0.205 0.000 0.775 46 L CB -0.593 41.558 42.059 0.153 0.000 0.913 46 L HN 0.426 nan 8.230 nan 0.000 0.440 47 T N -4.540 110.156 114.554 0.237 0.000 3.163 47 T HA -0.006 4.344 4.350 0.001 0.000 0.252 47 T C 0.437 175.353 174.700 0.361 0.000 1.056 47 T CA -0.417 61.865 62.100 0.302 0.000 0.947 47 T CB -0.432 68.590 68.868 0.256 0.000 1.016 47 T HN 0.047 nan 8.240 nan 0.000 0.554 48 Y N 4.352 124.752 120.300 0.166 0.000 2.811 48 Y HA 0.041 4.592 4.550 0.001 0.000 0.334 48 Y C 1.566 177.589 175.900 0.205 0.000 1.247 48 Y CA -0.641 57.533 58.100 0.123 0.000 1.526 48 Y CB 0.392 38.867 38.460 0.025 0.000 1.284 48 Y HN 0.527 nan 8.280 nan 0.000 0.586 49 H N 2.646 121.801 119.070 0.141 0.000 2.489 49 H HA -0.164 4.393 4.556 0.001 0.000 0.293 49 H C 1.080 176.446 175.328 0.063 0.000 1.066 49 H CA 2.000 58.123 56.048 0.125 0.000 1.305 49 H CB -0.674 29.188 29.762 0.166 0.000 1.386 49 H HN 0.674 nan 8.280 nan 0.000 0.551 50 Y N 0.926 120.739 120.300 -0.812 0.000 2.224 50 Y HA -0.098 4.453 4.550 0.001 0.000 0.289 50 Y C 2.337 178.181 175.900 -0.094 0.000 1.146 50 Y CA 1.075 58.909 58.100 -0.443 0.000 1.182 50 Y CB -0.304 37.786 38.460 -0.616 0.000 0.983 50 Y HN 0.278 nan 8.280 nan 0.000 0.524 51 L N -1.654 119.660 121.223 0.152 0.000 2.341 51 L HA -0.090 4.251 4.340 0.001 0.000 0.214 51 L C 2.084 179.008 176.870 0.089 0.000 1.115 51 L CA 0.198 55.143 54.840 0.174 0.000 0.820 51 L CB -0.448 41.771 42.059 0.268 0.000 0.944 51 L HN 0.059 nan 8.230 nan 0.000 0.452 52 V N 0.308 120.260 119.914 0.064 0.000 2.323 52 V HA -0.227 3.894 4.120 0.001 0.000 0.244 52 V C 2.785 178.792 176.094 -0.144 0.000 1.041 52 V CA 1.759 63.986 62.300 -0.120 0.000 1.025 52 V CB -0.652 31.148 31.823 -0.039 0.000 0.656 52 V HN 0.456 nan 8.190 nan 0.000 0.451 53 A N -0.290 122.523 122.820 -0.011 0.000 1.908 53 A HA -0.272 4.049 4.320 0.001 0.000 0.218 53 A C 2.161 179.720 177.584 -0.041 0.000 1.181 53 A CA 2.082 54.109 52.037 -0.018 0.000 0.627 53 A CB -0.493 18.540 19.000 0.055 0.000 0.818 53 A HN 0.633 nan 8.150 nan 0.000 0.445 54 E N -0.883 119.317 120.200 0.000 0.000 2.072 54 E HA -0.109 4.241 4.350 0.001 0.000 0.191 54 E C 1.941 178.570 176.600 0.048 0.000 0.985 54 E CA 1.072 57.485 56.400 0.022 0.000 0.801 54 E CB -0.265 29.477 29.700 0.070 0.000 0.750 54 E HN 0.370 nan 8.360 nan 0.000 0.452 55 V N 1.023 120.947 119.914 0.016 0.000 2.515 55 V HA -0.213 3.908 4.120 0.001 0.000 0.250 55 V C 1.928 178.009 176.094 -0.021 0.000 1.058 55 V CA 1.247 63.568 62.300 0.035 0.000 1.064 55 V CB -0.147 31.647 31.823 -0.049 0.000 0.675 55 V HN 0.303 nan 8.190 nan 0.000 0.461 56 M N -0.588 118.931 119.600 -0.136 0.000 2.358 56 M HA -0.078 4.402 4.480 0.001 0.000 0.264 56 M C 2.093 178.337 176.300 -0.093 0.000 1.064 56 M CA 1.401 56.617 55.300 -0.141 0.000 1.093 56 M CB -1.294 31.197 32.600 -0.182 0.000 1.401 56 M HN 0.344 nan 8.290 nan 0.000 0.440 57 R N -2.130 118.298 120.500 -0.121 0.000 2.193 57 R HA -0.112 4.229 4.340 0.001 0.000 0.213 57 R C 1.713 177.833 176.300 -0.301 0.000 1.055 57 R CA 1.028 56.976 56.100 -0.252 0.000 0.995 57 R CB 0.018 30.091 30.300 -0.378 0.000 0.893 57 R HN 0.448 nan 8.270 nan 0.000 0.459 58 W N -0.454 120.811 121.300 -0.059 0.000 2.850 58 W HA 0.126 4.786 4.660 0.001 0.000 0.260 58 W C 1.131 177.628 176.519 -0.037 0.000 1.129 58 W CA -0.290 57.027 57.345 -0.046 0.000 1.587 58 W CB -0.162 29.272 29.460 -0.044 0.000 1.041 58 W HN -0.226 nan 8.180 nan 0.000 0.614 59 T N 1.214 115.894 114.554 0.210 0.000 2.926 59 T HA -0.053 4.298 4.350 0.001 0.000 0.307 59 T C 0.778 175.522 174.700 0.075 0.000 1.059 59 T CA 0.267 62.436 62.100 0.116 0.000 1.122 59 T CB 0.621 69.529 68.868 0.067 0.000 0.972 59 T HN -0.009 nan 8.240 nan 0.000 0.545 60 D N 2.310 122.752 120.400 0.070 0.000 2.323 60 D HA 0.049 4.690 4.640 0.001 0.000 0.209 60 D C 0.677 177.005 176.300 0.046 0.000 0.973 60 D CA 0.326 54.358 54.000 0.053 0.000 0.874 60 D CB 0.114 40.945 40.800 0.052 0.000 0.930 60 D HN 0.301 nan 8.370 nan 0.000 0.521 61 V N 2.434 122.380 119.914 0.053 0.000 2.599 61 V HA -0.037 4.084 4.120 0.001 0.000 0.300 61 V C 0.989 177.111 176.094 0.045 0.000 1.034 61 V CA -0.232 62.105 62.300 0.062 0.000 1.115 61 V CB 0.915 32.797 31.823 0.097 0.000 0.934 61 V HN 0.165 nan 8.190 nan 0.000 0.485 62 S N 4.881 120.613 115.700 0.054 0.000 2.576 62 S HA 0.198 4.668 4.470 0.001 0.000 0.276 62 S C 1.003 175.633 174.600 0.051 0.000 1.339 62 S CA -0.434 57.795 58.200 0.050 0.000 1.039 62 S CB 0.880 64.118 63.200 0.063 0.000 0.902 62 S HN 0.619 nan 8.310 nan 0.000 0.516 63 I N 1.538 122.124 120.570 0.027 0.000 2.335 63 I HA -0.132 4.039 4.170 0.001 0.000 0.251 63 I C 1.979 178.152 176.117 0.093 0.000 1.129 63 I CA 1.717 63.001 61.300 -0.026 0.000 1.402 63 I CB -0.691 37.319 38.000 0.017 0.000 1.069 63 I HN 0.833 nan 8.210 nan 0.000 0.424 64 E N 0.893 121.197 120.200 0.173 0.000 2.017 64 E HA -0.169 4.182 4.350 0.001 0.000 0.193 64 E C 2.305 179.018 176.600 0.188 0.000 0.997 64 E CA 1.771 58.307 56.400 0.226 0.000 0.804 64 E CB -0.792 29.003 29.700 0.157 0.000 0.757 64 E HN 0.579 nan 8.360 nan 0.000 0.448 65 A N 0.181 123.076 122.820 0.125 0.000 1.978 65 A HA -0.192 4.129 4.320 0.001 0.000 0.220 65 A C 2.118 179.750 177.584 0.079 0.000 1.170 65 A CA 1.385 53.478 52.037 0.094 0.000 0.636 65 A CB -0.815 18.232 19.000 0.078 0.000 0.810 65 A HN 0.333 nan 8.150 nan 0.000 0.448 66 F N -0.909 118.992 119.950 -0.082 0.000 2.102 66 F HA -0.162 4.366 4.527 0.001 0.000 0.298 66 F C 2.012 177.742 175.800 -0.116 0.000 1.105 66 F CA 1.673 59.562 58.000 -0.185 0.000 1.239 66 F CB -0.522 38.230 39.000 -0.413 0.000 0.991 66 F HN 0.406 nan 8.300 nan 0.000 0.474 67 W N -0.008 121.344 121.300 0.086 0.000 2.392 67 W HA -0.076 4.584 4.660 0.001 0.000 0.279 67 W C 2.461 178.935 176.519 -0.076 0.000 1.225 67 W CA 0.705 58.047 57.345 -0.006 0.000 1.233 67 W CB -0.480 29.038 29.460 0.097 0.000 1.122 67 W HN 0.109 nan 8.180 nan 0.000 0.561 68 A N -0.083 122.830 122.820 0.156 0.000 1.968 68 A HA -0.006 4.315 4.320 0.001 0.000 0.217 68 A C 1.262 178.846 177.584 -0.001 0.000 1.169 68 A CA 0.497 52.582 52.037 0.079 0.000 0.638 68 A CB -0.562 18.482 19.000 0.074 0.000 0.812 68 A HN 0.092 nan 8.150 nan 0.000 0.446 69 M N 0.944 120.492 119.600 -0.087 0.000 2.219 69 M HA 0.152 4.633 4.480 0.001 0.000 0.307 69 M C 0.914 177.140 176.300 -0.123 0.000 1.116 69 M CA -0.015 55.209 55.300 -0.127 0.000 1.181 69 M CB 0.381 32.848 32.600 -0.221 0.000 1.410 69 M HN 0.421 nan 8.290 nan 0.000 0.454 70 S N 0.334 115.980 115.700 -0.090 0.000 2.645 70 S HA 0.219 4.689 4.470 0.001 0.000 0.266 70 S C 0.694 175.239 174.600 -0.090 0.000 1.258 70 S CA -0.809 57.351 58.200 -0.066 0.000 0.990 70 S CB 1.345 64.518 63.200 -0.044 0.000 0.967 70 S HN 0.687 nan 8.310 nan 0.000 0.556 71 K N 0.802 121.167 120.400 -0.058 0.000 2.020 71 K HA -0.115 4.206 4.320 0.001 0.000 0.212 71 K C 2.334 178.904 176.600 -0.049 0.000 1.050 71 K CA 1.669 57.928 56.287 -0.047 0.000 0.929 71 K CB -0.470 32.010 32.500 -0.034 0.000 0.714 71 K HN 0.612 nan 8.250 nan 0.000 0.443 72 R N 1.004 121.474 120.500 -0.049 0.000 2.096 72 R HA -0.103 4.237 4.340 0.001 0.000 0.240 72 R C 2.031 178.312 176.300 -0.031 0.000 1.139 72 R CA 2.166 58.240 56.100 -0.043 0.000 0.952 72 R CB -0.353 29.920 30.300 -0.044 0.000 0.854 72 R HN 0.426 nan 8.270 nan 0.000 0.436 73 E N -0.328 119.847 120.200 -0.041 0.000 2.118 73 E HA -0.247 4.104 4.350 0.001 0.000 0.195 73 E C 2.101 178.689 176.600 -0.021 0.000 0.992 73 E CA 1.426 57.807 56.400 -0.031 0.000 0.804 73 E CB -0.057 29.614 29.700 -0.048 0.000 0.741 73 E HN 0.507 nan 8.360 nan 0.000 0.458 74 Q N 0.295 120.043 119.800 -0.086 0.000 2.046 74 Q HA -0.109 4.232 4.340 0.001 0.000 0.200 74 Q C 2.328 178.429 176.000 0.168 0.000 0.975 74 Q CA 1.226 56.995 55.803 -0.058 0.000 0.836 74 Q CB -0.187 28.342 28.738 -0.348 0.000 0.896 74 Q HN 0.235 nan 8.270 nan 0.000 0.428 75 A N 1.835 124.718 122.820 0.104 0.000 1.908 75 A HA -0.240 4.081 4.320 0.001 0.000 0.218 75 A C 1.698 179.374 177.584 0.155 0.000 1.181 75 A CA 1.849 53.963 52.037 0.128 0.000 0.627 75 A CB -0.523 18.501 19.000 0.040 0.000 0.818 75 A HN 0.275 nan 8.150 nan 0.000 0.445 76 D N -0.501 119.961 120.400 0.103 0.000 2.144 76 D HA -0.129 4.512 4.640 0.001 0.000 0.199 76 D C 1.851 178.268 176.300 0.194 0.000 0.984 76 D CA 1.372 55.446 54.000 0.124 0.000 0.834 76 D CB -0.274 40.562 40.800 0.060 0.000 0.955 76 D HN 0.391 nan 8.370 nan 0.000 0.465 77 L N 0.999 122.333 121.223 0.185 0.000 2.027 77 L HA -0.076 4.265 4.340 0.001 0.000 0.206 77 L C 2.214 179.219 176.870 0.225 0.000 1.074 77 L CA 1.257 56.215 54.840 0.197 0.000 0.745 77 L CB -0.412 41.785 42.059 0.230 0.000 0.898 77 L HN -0.064 nan 8.230 nan 0.000 0.433 78 I N -1.567 119.168 120.570 0.274 0.000 2.179 78 I HA -0.334 3.837 4.170 0.001 0.000 0.242 78 I C 2.400 178.742 176.117 0.375 0.000 1.088 78 I CA 1.666 63.141 61.300 0.291 0.000 1.357 78 I CB -0.659 37.529 38.000 0.314 0.000 1.051 78 I HN 0.578 nan 8.210 nan 0.000 0.409 79 W N 2.313 123.696 121.300 0.139 0.000 2.338 79 W HA -0.271 4.390 4.660 0.001 0.000 0.304 79 W C 2.340 178.964 176.519 0.175 0.000 1.212 79 W CA 2.092 59.470 57.345 0.056 0.000 1.264 79 W CB -0.041 29.348 29.460 -0.119 0.000 1.142 79 W HN 0.176 nan 8.180 nan 0.000 0.512 80 E N 0.605 120.958 120.200 0.255 0.000 2.072 80 E HA -0.195 4.156 4.350 0.001 0.000 0.190 80 E C 2.018 178.626 176.600 0.013 0.000 0.982 80 E CA 1.721 58.191 56.400 0.116 0.000 0.803 80 E CB -0.430 29.354 29.700 0.141 0.000 0.755 80 E HN 0.084 nan 8.360 nan 0.000 0.453 81 E N -0.087 120.140 120.200 0.045 0.000 2.072 81 E HA -0.061 4.290 4.350 0.001 0.000 0.190 81 E C 2.085 178.589 176.600 -0.161 0.000 0.982 81 E CA 0.852 57.224 56.400 -0.046 0.000 0.803 81 E CB 0.014 29.739 29.700 0.043 0.000 0.755 81 E HN 0.370 nan 8.360 nan 0.000 0.453 82 L N -1.259 119.942 121.223 -0.037 0.000 2.513 82 L HA 0.153 4.494 4.340 0.001 0.000 0.222 82 L C 1.705 178.334 176.870 -0.402 0.000 1.096 82 L CA 0.193 54.926 54.840 -0.178 0.000 0.857 82 L CB 0.010 42.017 42.059 -0.088 0.000 1.026 82 L HN 0.010 nan 8.230 nan 0.000 0.469 83 F N -1.126 118.590 119.950 -0.390 0.000 2.637 83 F HA 0.157 4.685 4.527 0.001 0.000 0.284 83 F C 2.039 177.549 175.800 -0.483 0.000 1.105 83 F CA 0.018 57.681 58.000 -0.562 0.000 1.356 83 F CB 0.424 38.738 39.000 -1.144 0.000 1.096 83 F HN -0.164 nan 8.300 nan 0.000 0.616 84 I N 0.256 120.690 120.570 -0.228 0.000 2.729 84 I HA -0.022 4.149 4.170 0.001 0.000 0.256 84 I C 1.740 177.762 176.117 -0.159 0.000 1.115 84 I CA 1.074 62.276 61.300 -0.163 0.000 1.446 84 I CB -1.067 36.880 38.000 -0.088 0.000 1.176 84 I HN 0.055 nan 8.210 nan 0.000 0.446 85 K N 0.800 121.082 120.400 -0.196 0.000 2.296 85 K HA 0.013 4.334 4.320 0.001 0.000 0.200 85 K C 0.069 176.462 176.600 -0.345 0.000 1.048 85 K CA 0.563 56.703 56.287 -0.245 0.000 0.966 85 K CB 0.202 32.543 32.500 -0.265 0.000 0.754 85 K HN 0.169 nan 8.250 nan 0.000 0.466 86 R N -0.428 119.846 120.500 -0.375 0.000 2.668 86 R HA 0.231 4.572 4.340 0.001 0.000 0.272 86 R C -1.152 174.973 176.300 -0.291 0.000 1.019 86 R CA -0.417 55.456 56.100 -0.378 0.000 0.894 86 R CB 1.914 31.870 30.300 -0.573 0.000 1.228 86 R HN -0.148 nan 8.270 nan 0.000 0.460 87 S N 3.832 119.402 115.700 -0.217 0.000 2.549 87 S HA 0.117 4.587 4.470 0.001 0.000 0.286 87 S C -1.861 172.579 174.600 -0.267 0.000 1.314 87 S CA -0.529 57.551 58.200 -0.200 0.000 1.062 87 S CB 0.468 63.589 63.200 -0.131 0.000 0.865 87 S HN 0.439 nan 8.310 nan 0.000 0.498 88 P HA 0.073 nan 4.420 nan 0.000 0.231 88 P C 0.792 177.903 177.300 -0.315 0.000 1.756 88 P CA -0.085 62.683 63.100 -0.553 0.000 0.990 88 P CB -0.506 30.680 31.700 -0.857 0.000 1.973 89 V N -0.961 118.830 119.914 -0.204 0.000 3.129 89 V HA 0.005 4.126 4.120 0.001 0.000 0.259 89 V C 1.205 177.246 176.094 -0.090 0.000 1.116 89 V CA 0.510 62.737 62.300 -0.122 0.000 1.127 89 V CB -1.284 30.492 31.823 -0.078 0.000 0.742 89 V HN 0.367 nan 8.190 nan 0.000 0.474 90 S N 0.637 116.282 115.700 -0.093 0.000 2.584 90 S HA 0.104 4.575 4.470 0.001 0.000 0.270 90 S C 1.114 175.702 174.600 -0.020 0.000 1.346 90 S CA 0.624 58.804 58.200 -0.033 0.000 1.018 90 S CB 1.270 64.464 63.200 -0.011 0.000 0.899 90 S HN 0.532 nan 8.310 nan 0.000 0.542 91 E N 2.088 122.314 120.200 0.043 0.000 2.118 91 E HA -0.122 4.229 4.350 0.001 0.000 0.195 91 E C 1.985 178.630 176.600 0.074 0.000 0.992 91 E CA 1.908 58.362 56.400 0.090 0.000 0.804 91 E CB -0.899 28.905 29.700 0.174 0.000 0.741 91 E HN 0.807 nan 8.360 nan 0.000 0.458 92 A N -0.240 122.647 122.820 0.111 0.000 1.898 92 A HA -0.152 4.168 4.320 0.001 0.000 0.216 92 A C 2.549 180.128 177.584 -0.008 0.000 1.181 92 A CA 1.396 53.503 52.037 0.117 0.000 0.620 92 A CB -0.904 18.260 19.000 0.274 0.000 0.819 92 A HN 0.508 nan 8.150 nan 0.000 0.442 93 C N -1.047 118.224 119.300 -0.048 0.000 2.457 93 C HA 0.003 4.464 4.460 0.001 0.000 0.278 93 C C 2.776 177.715 174.990 -0.085 0.000 1.309 93 C CA 0.973 59.901 59.018 -0.149 0.000 1.735 93 C CB -1.198 26.193 27.740 -0.583 0.000 1.992 93 C HN 0.709 nan 8.230 nan 0.000 0.493 94 R N 1.281 121.718 120.500 -0.105 0.000 2.096 94 R HA -0.089 4.251 4.340 0.001 0.000 0.235 94 R C 2.243 178.516 176.300 -0.045 0.000 1.127 94 R CA 1.900 57.969 56.100 -0.051 0.000 0.968 94 R CB -0.688 29.577 30.300 -0.058 0.000 0.861 94 R HN 0.536 nan 8.270 nan 0.000 0.440 95 G N 0.435 109.051 108.800 -0.308 0.000 2.422 95 G HA2 -0.202 3.758 3.960 0.001 0.000 0.218 95 G HA3 -0.202 3.758 3.960 0.001 0.000 0.218 95 G C 1.427 176.006 174.900 -0.535 0.000 1.146 95 G CA 0.868 45.302 45.100 -1.111 0.000 0.769 95 G HN 0.221 nan 8.290 nan 0.000 0.547 96 V N 1.074 120.877 119.914 -0.185 0.000 2.295 96 V HA -0.145 3.976 4.120 0.001 0.000 0.246 96 V C 2.932 179.074 176.094 0.081 0.000 1.049 96 V CA 1.569 63.903 62.300 0.057 0.000 1.024 96 V CB -0.504 31.480 31.823 0.268 0.000 0.648 96 V HN 0.358 nan 8.190 nan 0.000 0.447 97 L N -0.345 120.958 121.223 0.133 0.000 2.042 97 L HA -0.199 4.142 4.340 0.001 0.000 0.210 97 L C 2.635 179.521 176.870 0.026 0.000 1.076 97 L CA 2.036 56.934 54.840 0.097 0.000 0.749 97 L CB -1.203 40.930 42.059 0.123 0.000 0.893 97 L HN 0.338 nan 8.230 nan 0.000 0.432 98 T N -0.973 113.602 114.554 0.035 0.000 2.720 98 T HA -0.201 4.150 4.350 0.001 0.000 0.268 98 T C 2.073 176.779 174.700 0.010 0.000 1.037 98 T CA 1.567 63.681 62.100 0.024 0.000 1.144 98 T CB -0.370 68.581 68.868 0.138 0.000 0.864 98 T HN 0.395 nan 8.240 nan 0.000 0.444 99 C N 0.879 120.209 119.300 0.050 0.000 2.436 99 C HA 0.036 4.496 4.460 0.001 0.000 0.277 99 C C 2.694 177.694 174.990 0.017 0.000 1.241 99 C CA 0.361 59.422 59.018 0.072 0.000 1.721 99 C CB -1.396 26.420 27.740 0.126 0.000 2.043 99 C HN 0.518 nan 8.230 nan 0.000 0.472 100 L N 0.347 121.551 121.223 -0.032 0.000 1.989 100 L HA -0.266 4.074 4.340 0.001 0.000 0.211 100 L C 2.803 179.582 176.870 -0.152 0.000 1.071 100 L CA 1.977 56.731 54.840 -0.143 0.000 0.749 100 L CB -1.004 40.869 42.059 -0.311 0.000 0.890 100 L HN 0.468 nan 8.230 nan 0.000 0.431 101 Q N 0.069 119.806 119.800 -0.104 0.000 2.112 101 Q HA -0.212 4.129 4.340 0.001 0.000 0.206 101 Q C 2.122 178.080 176.000 -0.070 0.000 0.987 101 Q CA 1.883 57.640 55.803 -0.078 0.000 0.858 101 Q CB -0.295 28.413 28.738 -0.050 0.000 0.905 101 Q HN 0.566 nan 8.270 nan 0.000 0.420 102 G N 0.757 109.524 108.800 -0.055 0.000 2.422 102 G HA2 -0.206 3.755 3.960 0.001 0.000 0.218 102 G HA3 -0.206 3.755 3.960 0.001 0.000 0.218 102 G C 1.221 176.090 174.900 -0.052 0.000 1.146 102 G CA 0.630 45.712 45.100 -0.029 0.000 0.769 102 G HN 0.350 nan 8.290 nan 0.000 0.547 103 L N 0.332 121.484 121.223 -0.118 0.000 2.599 103 L HA 0.271 4.611 4.340 0.001 0.000 0.230 103 L C 2.066 178.760 176.870 -0.293 0.000 1.141 103 L CA 0.467 55.167 54.840 -0.233 0.000 0.877 103 L CB 0.076 41.868 42.059 -0.444 0.000 1.009 103 L HN 0.394 nan 8.230 nan 0.000 0.447 104 G N -0.916 107.775 108.800 -0.181 0.000 2.176 104 G HA2 -0.210 3.750 3.960 0.001 0.000 0.232 104 G HA3 -0.210 3.750 3.960 0.001 0.000 0.232 104 G C 0.231 175.051 174.900 -0.133 0.000 0.986 104 G CA -0.466 44.556 45.100 -0.130 0.000 0.643 104 G HN 0.050 nan 8.290 nan 0.000 0.522 105 L N 0.937 122.039 121.223 -0.202 0.000 2.453 105 L HA 0.568 4.909 4.340 0.001 0.000 0.261 105 L C 0.136 176.983 176.870 -0.039 0.000 1.179 105 L CA 0.035 54.807 54.840 -0.113 0.000 0.813 105 L CB 0.951 42.885 42.059 -0.209 0.000 1.110 105 L HN 0.229 nan 8.230 nan 0.000 0.466 106 D N 1.633 122.094 120.400 0.102 0.000 2.461 106 D HA 0.332 4.973 4.640 0.001 0.000 0.240 106 D C -1.847 174.575 176.300 0.204 0.000 1.094 106 D CA -1.905 52.163 54.000 0.113 0.000 0.868 106 D CB 1.620 42.487 40.800 0.112 0.000 1.062 106 D HN 0.120 nan 8.370 nan 0.000 0.530 107 P HA -0.109 nan 4.420 nan 0.000 0.219 107 P C 1.066 178.511 177.300 0.242 0.000 1.146 107 P CA 0.981 64.182 63.100 0.168 0.000 0.808 107 P CB 0.277 32.028 31.700 0.084 0.000 0.779 108 A N -0.311 122.608 122.820 0.165 0.000 1.978 108 A HA -0.218 4.103 4.320 0.001 0.000 0.220 108 A C 2.206 179.882 177.584 0.154 0.000 1.170 108 A CA 2.471 54.587 52.037 0.133 0.000 0.636 108 A CB -1.851 17.203 19.000 0.089 0.000 0.810 108 A HN 0.366 nan 8.150 nan 0.000 0.448 109 T N -4.310 110.358 114.554 0.191 0.000 3.014 109 T HA 0.022 4.373 4.350 0.001 0.000 0.263 109 T C 0.987 175.795 174.700 0.179 0.000 1.078 109 T CA 0.659 62.846 62.100 0.145 0.000 1.135 109 T CB -0.295 68.626 68.868 0.089 0.000 0.895 109 T HN 0.579 nan 8.240 nan 0.000 0.480 110 R N 1.100 121.817 120.500 0.362 0.000 3.770 110 R HA -0.122 4.218 4.340 0.001 0.000 0.305 110 R C -0.679 175.714 176.300 0.154 0.000 1.184 110 R CA 0.839 57.248 56.100 0.516 0.000 0.823 110 R CB -2.224 28.332 30.300 0.427 0.000 1.285 110 R HN 0.495 nan 8.270 nan 0.000 0.499 111 D N 1.264 121.483 120.400 -0.301 0.000 2.517 111 D HA 0.033 4.674 4.640 0.001 0.000 0.220 111 D C 1.149 176.720 176.300 -1.215 0.000 1.158 111 D CA -0.139 53.501 54.000 -0.599 0.000 0.992 111 D CB 0.614 41.134 40.800 -0.466 0.000 1.058 111 D HN 0.070 nan 8.370 nan 0.000 0.516 112 L N 3.626 124.361 121.223 -0.813 0.000 2.081 112 L HA -0.215 4.126 4.340 0.001 0.000 0.212 112 L C 2.011 178.604 176.870 -0.462 0.000 1.080 112 L CA 1.772 56.172 54.840 -0.733 0.000 0.754 112 L CB -0.265 41.293 42.059 -0.835 0.000 0.893 112 L HN 0.330 nan 8.230 nan 0.000 0.433 113 Q N -0.737 118.841 119.800 -0.370 0.000 2.020 113 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 113 Q C 2.375 178.266 176.000 -0.182 0.000 0.982 113 Q CA 1.920 57.595 55.803 -0.213 0.000 0.838 113 Q CB -0.849 27.793 28.738 -0.160 0.000 0.899 113 Q HN 0.464 nan 8.270 nan 0.000 0.423 114 V N 0.738 120.484 119.914 -0.280 0.000 2.392 114 V HA -0.268 3.852 4.120 0.001 0.000 0.249 114 V C 2.099 178.166 176.094 -0.047 0.000 1.059 114 V CA 1.710 63.903 62.300 -0.178 0.000 1.051 114 V CB -0.838 30.850 31.823 -0.224 0.000 0.658 114 V HN 0.258 nan 8.190 nan 0.000 0.455 115 Y N 0.623 120.903 120.300 -0.033 0.000 2.181 115 Y HA -0.169 4.382 4.550 0.001 0.000 0.288 115 Y C 2.625 178.634 175.900 0.183 0.000 1.146 115 Y CA 1.049 59.163 58.100 0.022 0.000 1.164 115 Y CB -0.990 37.448 38.460 -0.036 0.000 0.982 115 Y HN 0.148 nan 8.280 nan 0.000 0.515 116 R N 0.357 121.005 120.500 0.248 0.000 2.091 116 R HA -0.172 4.169 4.340 0.001 0.000 0.238 116 R C 2.103 178.554 176.300 0.250 0.000 1.136 116 R CA 1.716 57.969 56.100 0.256 0.000 0.959 116 R CB -0.284 30.054 30.300 0.063 0.000 0.856 116 R HN 0.484 nan 8.270 nan 0.000 0.437 117 E N -0.553 119.729 120.200 0.138 0.000 2.118 117 E HA -0.266 4.085 4.350 0.001 0.000 0.195 117 E C 1.654 178.312 176.600 0.098 0.000 0.992 117 E CA 1.332 57.788 56.400 0.093 0.000 0.804 117 E CB -0.244 29.483 29.700 0.044 0.000 0.741 117 E HN 0.398 nan 8.360 nan 0.000 0.458 118 Y N 0.609 120.887 120.300 -0.037 0.000 2.151 118 Y HA -0.300 4.250 4.550 0.001 0.000 0.284 118 Y C 1.739 177.535 175.900 -0.173 0.000 1.166 118 Y CA 1.740 59.730 58.100 -0.183 0.000 1.163 118 Y CB -0.286 37.936 38.460 -0.397 0.000 0.974 118 Y HN -0.052 nan 8.280 nan 0.000 0.511 119 F N -0.235 119.825 119.950 0.184 0.000 2.206 119 F HA -0.006 4.521 4.527 0.001 0.000 0.298 119 F C 2.600 178.477 175.800 0.128 0.000 1.090 119 F CA 0.908 59.034 58.000 0.209 0.000 1.323 119 F CB -1.245 37.910 39.000 0.258 0.000 1.028 119 F HN 0.140 nan 8.300 nan 0.000 0.492 120 A N 1.217 124.165 122.820 0.214 0.000 1.873 120 A HA -0.251 4.069 4.320 0.001 0.000 0.218 120 A C 1.900 179.534 177.584 0.084 0.000 1.193 120 A CA 1.922 54.029 52.037 0.115 0.000 0.629 120 A CB -1.040 18.000 19.000 0.067 0.000 0.826 120 A HN 0.481 nan 8.150 nan 0.000 0.447 121 K N -0.280 120.131 120.400 0.017 0.000 2.878 121 K HA 0.160 4.481 4.320 0.001 0.000 0.242 121 K C 0.089 176.661 176.600 -0.047 0.000 0.985 121 K CA 0.344 56.619 56.287 -0.020 0.000 1.168 121 K CB -0.289 32.182 32.500 -0.049 0.000 0.993 121 K HN 0.401 nan 8.250 nan 0.000 0.476 122 K N 0.744 121.161 120.400 0.027 0.000 2.533 122 K HA 0.193 4.514 4.320 0.001 0.000 0.272 122 K C -1.184 175.498 176.600 0.137 0.000 0.985 122 K CA -0.700 55.590 56.287 0.006 0.000 0.876 122 K CB 2.005 34.433 32.500 -0.121 0.000 1.452 122 K HN 0.184 nan 8.250 nan 0.000 0.439 123 T N -1.172 113.392 114.554 0.017 0.000 2.950 123 T HA 0.279 4.630 4.350 0.001 0.000 0.288 123 T C 0.862 175.440 174.700 -0.203 0.000 1.035 123 T CA -0.595 61.527 62.100 0.037 0.000 1.028 123 T CB 1.590 70.464 68.868 0.009 0.000 1.109 123 T HN 0.455 nan 8.240 nan 0.000 0.514 124 S N 0.795 116.420 115.700 -0.124 0.000 2.353 124 S HA -0.133 4.337 4.470 0.001 0.000 0.222 124 S C 1.911 176.309 174.600 -0.336 0.000 1.035 124 S CA 1.639 59.592 58.200 -0.411 0.000 1.025 124 S CB -0.581 62.606 63.200 -0.021 0.000 0.902 124 S HN 0.852 nan 8.310 nan 0.000 0.440 125 E N 1.314 121.423 120.200 -0.152 0.000 2.097 125 E HA -0.160 4.190 4.350 0.001 0.000 0.196 125 E C 2.051 178.580 176.600 -0.118 0.000 1.000 125 E CA 1.337 57.678 56.400 -0.099 0.000 0.804 125 E CB -0.276 29.394 29.700 -0.050 0.000 0.740 125 E HN 0.595 nan 8.360 nan 0.000 0.454 126 E N -0.017 120.095 120.200 -0.147 0.000 2.007 126 E HA -0.249 4.101 4.350 0.001 0.000 0.194 126 E C 2.139 178.639 176.600 -0.168 0.000 0.999 126 E CA 1.259 57.579 56.400 -0.134 0.000 0.811 126 E CB -0.157 29.465 29.700 -0.129 0.000 0.762 126 E HN 0.069 nan 8.360 nan 0.000 0.450 127 Q N 0.785 120.401 119.800 -0.306 0.000 2.248 127 Q HA -0.166 4.175 4.340 0.001 0.000 0.208 127 Q C 1.922 177.814 176.000 -0.179 0.000 0.984 127 Q CA 1.192 56.820 55.803 -0.292 0.000 0.875 127 Q CB -0.141 28.197 28.738 -0.667 0.000 0.910 127 Q HN 0.123 nan 8.270 nan 0.000 0.433 128 V N 0.583 120.386 119.914 -0.185 0.000 2.379 128 V HA -0.203 3.918 4.120 0.001 0.000 0.245 128 V C 1.620 177.710 176.094 -0.007 0.000 1.044 128 V CA 1.990 64.263 62.300 -0.045 0.000 1.036 128 V CB -0.482 31.360 31.823 0.031 0.000 0.664 128 V HN 0.409 nan 8.190 nan 0.000 0.453 129 D N -0.217 120.167 120.400 -0.027 0.000 2.117 129 D HA -0.124 4.516 4.640 0.001 0.000 0.198 129 D C 2.218 178.510 176.300 -0.013 0.000 0.982 129 D CA 1.770 55.761 54.000 -0.016 0.000 0.828 129 D CB -0.290 40.497 40.800 -0.022 0.000 0.967 129 D HN 0.380 nan 8.370 nan 0.000 0.464 130 T N 1.131 115.678 114.554 -0.011 0.000 2.614 130 T HA -0.106 4.244 4.350 0.001 0.000 0.263 130 T C 2.345 177.063 174.700 0.029 0.000 1.055 130 T CA 1.003 63.114 62.100 0.019 0.000 1.162 130 T CB -0.483 68.416 68.868 0.050 0.000 0.863 130 T HN -0.060 nan 8.240 nan 0.000 0.414 131 V N 1.813 121.750 119.914 0.038 0.000 2.287 131 V HA -0.156 3.964 4.120 0.001 0.000 0.248 131 V C 2.540 178.646 176.094 0.021 0.000 1.053 131 V CA 1.610 63.941 62.300 0.051 0.000 1.027 131 V CB -0.769 31.095 31.823 0.068 0.000 0.646 131 V HN 0.452 nan 8.190 nan 0.000 0.447 132 L N -0.332 120.889 121.223 -0.005 0.000 2.191 132 L HA -0.185 4.156 4.340 0.001 0.000 0.212 132 L C 2.647 179.489 176.870 -0.048 0.000 1.103 132 L CA 1.321 56.133 54.840 -0.045 0.000 0.769 132 L CB -0.624 41.390 42.059 -0.075 0.000 0.908 132 L HN 0.400 nan 8.230 nan 0.000 0.438 133 Q N 0.749 120.534 119.800 -0.025 0.000 2.049 133 Q HA -0.124 4.217 4.340 0.001 0.000 0.198 133 Q C 2.310 178.302 176.000 -0.014 0.000 0.971 133 Q CA 1.514 57.303 55.803 -0.023 0.000 0.833 133 Q CB -0.119 28.613 28.738 -0.011 0.000 0.896 133 Q HN 0.502 nan 8.270 nan 0.000 0.434 134 L N 0.156 121.383 121.223 0.007 0.000 2.017 134 L HA -0.135 4.205 4.340 0.001 0.000 0.208 134 L C 2.362 179.249 176.870 0.028 0.000 1.073 134 L CA 1.301 56.156 54.840 0.025 0.000 0.745 134 L CB -0.589 41.495 42.059 0.043 0.000 0.894 134 L HN 0.144 nan 8.230 nan 0.000 0.432 135 A N -0.750 122.085 122.820 0.025 0.000 2.206 135 A HA -0.133 4.188 4.320 0.001 0.000 0.211 135 A C 1.024 178.563 177.584 -0.074 0.000 1.158 135 A CA 0.645 52.700 52.037 0.030 0.000 0.761 135 A CB -0.530 18.513 19.000 0.072 0.000 0.801 135 A HN 0.623 nan 8.150 nan 0.000 0.473 136 N N -1.073 117.574 118.700 -0.088 0.000 2.725 136 N HA -0.144 4.596 4.740 0.001 0.000 0.251 136 N C -0.880 174.494 175.510 -0.228 0.000 1.031 136 N CA 0.941 53.908 53.050 -0.138 0.000 0.720 136 N CB -1.759 36.646 38.487 -0.138 0.000 0.930 136 N HN 0.173 nan 8.380 nan 0.000 0.543 137 V N 1.175 120.954 119.914 -0.224 0.000 2.370 137 V HA 0.316 4.437 4.120 0.001 0.000 0.283 137 V C 1.505 177.476 176.094 -0.204 0.000 1.023 137 V CA 0.149 62.273 62.300 -0.293 0.000 0.857 137 V CB 1.511 33.158 31.823 -0.294 0.000 0.985 137 V HN 0.514 nan 8.190 nan 0.000 0.443 138 S N 2.201 117.797 115.700 -0.172 0.000 2.439 138 S HA 0.150 4.620 4.470 0.001 0.000 0.224 138 S C 0.329 174.883 174.600 -0.076 0.000 1.029 138 S CA 0.080 58.217 58.200 -0.105 0.000 0.946 138 S CB 0.248 63.413 63.200 -0.057 0.000 0.797 138 S HN 0.719 nan 8.310 nan 0.000 0.504 139 D N 0.750 121.119 120.400 -0.051 0.000 2.896 139 D HA 0.518 5.159 4.640 0.001 0.000 0.241 139 D C -1.616 174.648 176.300 -0.059 0.000 1.188 139 D CA -0.350 53.678 54.000 0.047 0.000 0.879 139 D CB 2.604 43.573 40.800 0.282 0.000 1.553 139 D HN 0.031 nan 8.370 nan 0.000 0.515 140 V N 2.064 121.932 119.914 -0.076 0.000 2.378 140 V HA 0.215 4.336 4.120 0.001 0.000 0.288 140 V C 0.122 176.260 176.094 0.073 0.000 1.016 140 V CA -0.779 61.470 62.300 -0.085 0.000 0.840 140 V CB 1.920 33.613 31.823 -0.216 0.000 0.994 140 V HN 0.313 nan 8.190 nan 0.000 0.431 141 V N 6.956 126.859 119.914 -0.018 0.000 2.408 141 V HA 0.347 4.467 4.120 0.001 0.000 0.267 141 V C 0.519 176.575 176.094 -0.064 0.000 1.047 141 V CA -0.097 62.200 62.300 -0.005 0.000 0.937 141 V CB 1.027 32.779 31.823 -0.118 0.000 0.999 141 V HN 0.815 nan 8.190 nan 0.000 0.472 142 M N 3.011 122.592 119.600 -0.031 0.000 2.114 142 M HA 0.338 4.819 4.480 0.001 0.000 0.280 142 M C 0.244 176.448 176.300 -0.160 0.000 1.209 142 M CA 0.061 55.264 55.300 -0.162 0.000 1.044 142 M CB 0.551 33.090 32.600 -0.101 0.000 1.404 142 M HN 0.453 nan 8.290 nan 0.000 0.499 143 T N 1.523 115.959 114.554 -0.197 0.000 2.912 143 T HA 0.376 4.726 4.350 0.001 0.000 0.326 143 T C -1.090 173.695 174.700 0.140 0.000 1.080 143 T CA -0.765 61.309 62.100 -0.044 0.000 1.000 143 T CB -0.169 68.653 68.868 -0.077 0.000 1.008 143 T HN 0.503 nan 8.240 nan 0.000 0.473 144 N N 2.560 121.341 118.700 0.135 0.000 2.501 144 N HA 0.348 5.089 4.740 0.001 0.000 0.245 144 N C -1.128 174.396 175.510 0.023 0.000 0.974 144 N CA -0.775 52.400 53.050 0.208 0.000 0.941 144 N CB 1.125 39.738 38.487 0.211 0.000 1.122 144 N HN 0.435 nan 8.380 nan 0.000 0.507 145 D N 2.650 123.110 120.400 0.099 0.000 2.428 145 D HA 0.183 4.824 4.640 0.001 0.000 0.221 145 D C -1.544 174.654 176.300 -0.170 0.000 1.123 145 D CA -2.441 51.577 54.000 0.029 0.000 0.869 145 D CB 1.113 42.029 40.800 0.193 0.000 1.032 145 D HN 0.293 nan 8.370 nan 0.000 0.506 146 P HA -0.098 nan 4.420 nan 0.000 0.228 146 P C 0.723 177.632 177.300 -0.650 0.000 1.151 146 P CA 0.514 62.952 63.100 -1.102 0.000 0.770 146 P CB -0.002 30.289 31.700 -2.348 0.000 0.786 147 F N 0.227 120.141 119.950 -0.061 0.000 2.797 147 F HA 0.138 4.666 4.527 0.001 0.000 0.302 147 F C 0.995 176.897 175.800 0.169 0.000 1.130 147 F CA -0.091 58.013 58.000 0.174 0.000 1.387 147 F CB -0.570 38.549 39.000 0.197 0.000 1.107 147 F HN -0.084 nan 8.300 nan 0.000 0.577 148 D N -0.232 120.299 120.400 0.217 0.000 2.249 148 D HA 0.073 4.714 4.640 0.001 0.000 0.246 148 D C 0.804 177.198 176.300 0.157 0.000 1.114 148 D CA -0.148 53.965 54.000 0.188 0.000 0.854 148 D CB 0.854 41.747 40.800 0.155 0.000 1.132 148 D HN -0.142 nan 8.370 nan 0.000 0.461 149 D N 2.734 123.236 120.400 0.170 0.000 2.120 149 D HA -0.201 4.440 4.640 0.001 0.000 0.191 149 D C 1.338 177.703 176.300 0.108 0.000 0.994 149 D CA 1.402 55.494 54.000 0.154 0.000 0.838 149 D CB -0.324 40.562 40.800 0.143 0.000 0.976 149 D HN 0.512 nan 8.370 nan 0.000 0.447 150 N N 0.665 119.413 118.700 0.079 0.000 2.037 150 N HA -0.189 4.552 4.740 0.001 0.000 0.196 150 N C 1.649 177.183 175.510 0.039 0.000 1.034 150 N CA 1.389 54.464 53.050 0.042 0.000 0.861 150 N CB -0.214 38.284 38.487 0.018 0.000 1.039 150 N HN 0.324 nan 8.380 nan 0.000 0.427 151 E N 0.413 120.648 120.200 0.058 0.000 2.077 151 E HA -0.186 4.165 4.350 0.001 0.000 0.193 151 E C 2.131 178.881 176.600 0.249 0.000 0.989 151 E CA 0.685 57.155 56.400 0.116 0.000 0.800 151 E CB 0.070 29.844 29.700 0.123 0.000 0.746 151 E HN 0.275 nan 8.360 nan 0.000 0.452 152 R N 0.593 121.195 120.500 0.171 0.000 2.080 152 R HA -0.156 4.185 4.340 0.001 0.000 0.236 152 R C 2.378 178.823 176.300 0.242 0.000 1.137 152 R CA 1.754 57.971 56.100 0.194 0.000 0.943 152 R CB -0.357 29.978 30.300 0.059 0.000 0.846 152 R HN 0.192 nan 8.270 nan 0.000 0.431 153 I N 0.651 121.302 120.570 0.134 0.000 2.335 153 I HA -0.299 3.872 4.170 0.001 0.000 0.251 153 I C 2.612 178.752 176.117 0.039 0.000 1.129 153 I CA 1.382 62.730 61.300 0.080 0.000 1.402 153 I CB -0.448 37.580 38.000 0.047 0.000 1.069 153 I HN 0.329 nan 8.210 nan 0.000 0.424 154 S N 0.503 116.207 115.700 0.006 0.000 2.353 154 S HA -0.229 4.242 4.470 0.001 0.000 0.222 154 S C 1.791 176.277 174.600 -0.190 0.000 1.035 154 S CA 1.583 59.668 58.200 -0.191 0.000 1.025 154 S CB -0.459 62.540 63.200 -0.336 0.000 0.902 154 S HN 0.497 nan 8.310 nan 0.000 0.440 155 W N 1.582 122.872 121.300 -0.016 0.000 2.374 155 W HA 0.102 4.763 4.660 0.001 0.000 0.288 155 W C 2.196 178.701 176.519 -0.022 0.000 1.218 155 W CA 0.426 57.801 57.345 0.049 0.000 1.245 155 W CB -0.491 29.144 29.460 0.293 0.000 1.126 155 W HN 0.300 nan 8.180 nan 0.000 0.545 156 L N -0.126 121.216 121.223 0.197 0.000 2.046 156 L HA -0.188 4.152 4.340 0.001 0.000 0.208 156 L C 1.785 178.652 176.870 -0.007 0.000 1.077 156 L CA 1.371 56.240 54.840 0.048 0.000 0.747 156 L CB -0.818 41.263 42.059 0.036 0.000 0.896 156 L HN -0.004 nan 8.230 nan 0.000 0.432 157 E N -0.086 120.094 120.200 -0.033 0.000 2.485 157 E HA -0.002 4.349 4.350 0.001 0.000 0.194 157 E C 1.342 177.884 176.600 -0.097 0.000 1.098 157 E CA 0.435 56.792 56.400 -0.071 0.000 0.878 157 E CB -0.010 29.634 29.700 -0.093 0.000 0.939 157 E HN 0.586 nan 8.360 nan 0.000 0.503 158 G N 1.802 110.555 108.800 -0.078 0.000 2.179 158 G HA2 -0.283 3.677 3.960 0.001 0.000 0.260 158 G HA3 -0.283 3.677 3.960 0.001 0.000 0.260 158 G C 0.336 175.133 174.900 -0.171 0.000 0.977 158 G CA -0.147 44.903 45.100 -0.084 0.000 0.641 158 G HN 0.091 nan 8.290 nan 0.000 0.533 159 K N 0.767 120.977 120.400 -0.317 0.000 2.405 159 K HA 0.129 4.450 4.320 0.001 0.000 0.273 159 K C 0.531 176.801 176.600 -0.549 0.000 1.116 159 K CA 0.705 56.669 56.287 -0.539 0.000 1.155 159 K CB 0.693 32.625 32.500 -0.946 0.000 0.858 159 K HN 0.518 nan 8.250 nan 0.000 0.477 160 Q N 4.223 123.851 119.800 -0.288 0.000 2.282 160 Q HA 0.340 4.680 4.340 0.001 0.000 0.260 160 Q C -2.304 173.728 176.000 0.055 0.000 0.964 160 Q CA -1.916 53.818 55.803 -0.114 0.000 0.880 160 Q CB 1.524 30.245 28.738 -0.028 0.000 1.286 160 Q HN 0.307 nan 8.270 nan 0.000 0.445 161 P HA 0.006 nan 4.420 nan 0.000 0.277 161 P C -0.507 176.858 177.300 0.109 0.000 1.240 161 P CA -0.383 62.824 63.100 0.179 0.000 0.798 161 P CB 0.775 32.480 31.700 0.010 0.000 0.979 162 D N 1.031 121.508 120.400 0.129 0.000 2.474 162 D HA -0.086 4.555 4.640 0.001 0.000 0.232 162 D C 1.269 177.649 176.300 0.133 0.000 1.177 162 D CA 0.525 54.632 54.000 0.178 0.000 0.876 162 D CB 0.775 41.787 40.800 0.355 0.000 1.208 162 D HN 0.348 nan 8.370 nan 0.000 0.464 163 S N 2.806 118.535 115.700 0.048 0.000 2.537 163 S HA -0.175 4.296 4.470 0.001 0.000 0.240 163 S C 1.522 176.059 174.600 -0.105 0.000 0.981 163 S CA 0.664 58.836 58.200 -0.047 0.000 0.948 163 S CB -0.211 62.968 63.200 -0.035 0.000 0.759 163 S HN 0.673 nan 8.310 nan 0.000 0.531 164 R N -0.684 119.792 120.500 -0.040 0.000 2.290 164 R HA 0.332 4.672 4.340 0.001 0.000 0.197 164 R C -0.652 175.510 176.300 -0.230 0.000 0.913 164 R CA -0.123 55.898 56.100 -0.130 0.000 1.040 164 R CB -0.212 29.958 30.300 -0.216 0.000 0.992 164 R HN 0.412 nan 8.270 nan 0.000 0.500 165 F N 1.698 121.610 119.950 -0.063 0.000 2.427 165 F HA 0.373 4.901 4.527 0.001 0.000 0.346 165 F C 0.091 175.835 175.800 -0.093 0.000 1.120 165 F CA -1.039 56.959 58.000 -0.005 0.000 1.033 165 F CB 1.225 40.189 39.000 -0.060 0.000 1.126 165 F HN -0.070 nan 8.300 nan 0.000 0.462 166 H N 0.823 120.029 119.070 0.227 0.000 2.616 166 H HA 0.764 5.320 4.556 0.001 0.000 0.353 166 H C -0.502 174.928 175.328 0.170 0.000 1.170 166 H CA -1.064 55.116 56.048 0.220 0.000 1.212 166 H CB 1.403 31.331 29.762 0.276 0.000 1.653 166 H HN 0.690 nan 8.280 nan 0.000 0.537 167 A N 0.847 123.844 122.820 0.296 0.000 2.303 167 A HA 0.780 5.100 4.320 0.001 0.000 0.317 167 A C -0.627 176.939 177.584 -0.030 0.000 1.149 167 A CA -0.202 51.956 52.037 0.201 0.000 0.822 167 A CB 0.355 19.540 19.000 0.308 0.000 1.131 167 A HN 0.798 nan 8.150 nan 0.000 0.493 168 A N 1.531 124.270 122.820 -0.135 0.000 2.375 168 A HA 0.576 4.896 4.320 0.001 0.000 0.295 168 A C -0.996 176.466 177.584 -0.204 0.000 1.066 168 A CA -0.479 51.336 52.037 -0.371 0.000 0.722 168 A CB 0.854 19.512 19.000 -0.570 0.000 1.206 168 A HN 1.329 nan 8.150 nan 0.000 0.435 169 L N 2.545 123.655 121.223 -0.188 0.000 2.363 169 L HA 0.495 4.835 4.340 0.001 0.000 0.286 169 L C 0.392 177.247 176.870 -0.025 0.000 1.106 169 L CA -0.014 54.739 54.840 -0.145 0.000 0.859 169 L CB 0.002 41.973 42.059 -0.145 0.000 1.223 169 L HN 0.670 nan 8.230 nan 0.000 0.446 170 R N 4.298 124.800 120.500 0.003 0.000 2.265 170 R HA 0.420 4.760 4.340 0.001 0.000 0.314 170 R C -0.289 176.118 176.300 0.178 0.000 1.053 170 R CA 0.099 56.266 56.100 0.112 0.000 0.931 170 R CB 0.397 30.782 30.300 0.142 0.000 1.024 170 R HN 0.771 nan 8.270 nan 0.000 0.457 171 L N 3.445 124.807 121.223 0.231 0.000 3.168 171 L HA 0.272 4.612 4.340 0.001 0.000 0.277 171 L C 0.267 177.275 176.870 0.231 0.000 1.245 171 L CA -0.265 54.766 54.840 0.320 0.000 1.035 171 L CB 0.664 42.899 42.059 0.294 0.000 1.399 171 L HN 0.601 nan 8.230 nan 0.000 0.580 172 D N 1.600 122.110 120.400 0.182 0.000 2.126 172 D HA -0.172 4.469 4.640 0.001 0.000 0.190 172 D C -0.629 175.677 176.300 0.011 0.000 1.001 172 D CA 1.714 55.782 54.000 0.113 0.000 0.841 172 D CB -0.971 39.908 40.800 0.131 0.000 0.949 172 D HN 0.223 nan 8.370 nan 0.000 0.446 173 P HA -0.109 nan 4.420 nan 0.000 0.215 173 P C 1.630 178.685 177.300 -0.409 0.000 1.153 173 P CA 0.687 63.562 63.100 -0.374 0.000 0.853 173 P CB 0.034 31.274 31.700 -0.767 0.000 0.788 174 L N -1.473 119.505 121.223 -0.409 0.000 2.056 174 L HA -0.111 4.230 4.340 0.001 0.000 0.207 174 L C 1.855 178.764 176.870 0.065 0.000 1.078 174 L CA 2.058 56.851 54.840 -0.080 0.000 0.749 174 L CB -1.233 40.966 42.059 0.234 0.000 0.901 174 L HN -0.148 nan 8.230 nan 0.000 0.433 175 L N -0.458 120.804 121.223 0.065 0.000 2.307 175 L HA 0.069 4.410 4.340 0.001 0.000 0.211 175 L C 1.918 178.830 176.870 0.070 0.000 1.099 175 L CA 0.885 55.767 54.840 0.071 0.000 0.816 175 L CB -0.747 41.385 42.059 0.121 0.000 0.952 175 L HN 0.299 nan 8.230 nan 0.000 0.455 176 N N -0.450 118.284 118.700 0.057 0.000 2.322 176 N HA 0.050 4.791 4.740 0.001 0.000 0.181 176 N C 0.219 175.751 175.510 0.036 0.000 1.088 176 N CA 0.355 53.441 53.050 0.060 0.000 0.885 176 N CB 0.466 38.995 38.487 0.070 0.000 1.013 176 N HN 0.407 nan 8.380 nan 0.000 0.472 177 E N -0.426 119.775 120.200 0.002 0.000 3.729 177 E HA 0.062 4.413 4.350 0.001 0.000 0.195 177 E C -0.106 176.473 176.600 -0.035 0.000 1.005 177 E CA -0.268 56.119 56.400 -0.021 0.000 1.356 177 E CB 0.175 29.838 29.700 -0.060 0.000 1.138 177 E HN 0.120 nan 8.360 nan 0.000 0.450 178 Y N 2.354 122.586 120.300 -0.113 0.000 2.151 178 Y HA -0.294 4.257 4.550 0.001 0.000 0.284 178 Y C 2.087 177.910 175.900 -0.128 0.000 1.166 178 Y CA 1.881 59.907 58.100 -0.123 0.000 1.163 178 Y CB 0.296 38.695 38.460 -0.101 0.000 0.974 178 Y HN 0.073 nan 8.280 nan 0.000 0.511 179 E N 0.115 120.242 120.200 -0.120 0.000 2.085 179 E HA -0.250 4.100 4.350 0.001 0.000 0.194 179 E C 1.997 178.442 176.600 -0.258 0.000 0.994 179 E CA 1.904 58.181 56.400 -0.204 0.000 0.801 179 E CB -0.253 29.418 29.700 -0.050 0.000 0.743 179 E HN 0.647 nan 8.360 nan 0.000 0.453 180 Q N -0.982 118.731 119.800 -0.145 0.000 2.354 180 Q HA 0.064 4.405 4.340 0.001 0.000 0.203 180 Q C 1.980 177.898 176.000 -0.137 0.000 0.933 180 Q CA 0.972 56.742 55.803 -0.054 0.000 0.901 180 Q CB 0.086 28.810 28.738 -0.024 0.000 1.007 180 Q HN 0.095 nan 8.270 nan 0.000 0.495 181 T N 1.203 115.601 114.554 -0.261 0.000 2.937 181 T HA -0.087 4.264 4.350 0.001 0.000 0.260 181 T C 1.518 175.994 174.700 -0.373 0.000 1.051 181 T CA 1.117 63.038 62.100 -0.298 0.000 1.141 181 T CB -0.063 68.594 68.868 -0.351 0.000 0.879 181 T HN 0.421 nan 8.240 nan 0.000 0.459 182 K N 1.001 121.016 120.400 -0.642 0.000 2.160 182 K HA -0.228 4.092 4.320 0.001 0.000 0.206 182 K C 1.763 178.104 176.600 -0.432 0.000 1.047 182 K CA 1.629 57.505 56.287 -0.685 0.000 0.930 182 K CB -0.507 31.361 32.500 -1.053 0.000 0.720 182 K HN 0.398 nan 8.250 nan 0.000 0.450 183 H N 1.129 120.042 119.070 -0.261 0.000 2.423 183 H HA 0.045 4.601 4.556 0.001 0.000 0.297 183 H C 2.058 177.224 175.328 -0.269 0.000 1.075 183 H CA 1.266 57.191 56.048 -0.205 0.000 1.342 183 H CB 0.000 29.662 29.762 -0.167 0.000 1.395 183 H HN 0.333 nan 8.280 nan 0.000 0.530 184 R N 0.209 120.548 120.500 -0.269 0.000 2.153 184 R HA 0.031 4.372 4.340 0.001 0.000 0.218 184 R C 2.475 178.252 176.300 -0.872 0.000 1.072 184 R CA 0.322 56.030 56.100 -0.653 0.000 0.990 184 R CB -0.016 29.864 30.300 -0.699 0.000 0.889 184 R HN 0.206 nan 8.270 nan 0.000 0.452 185 L N 0.340 121.341 121.223 -0.369 0.000 2.093 185 L HA -0.151 4.190 4.340 0.001 0.000 0.208 185 L C 2.457 179.416 176.870 0.148 0.000 1.085 185 L CA 1.370 56.231 54.840 0.035 0.000 0.755 185 L CB -0.346 41.738 42.059 0.041 0.000 0.904 185 L HN 0.152 nan 8.230 nan 0.000 0.435 186 R N 0.145 120.639 120.500 -0.009 0.000 2.070 186 R HA -0.161 4.180 4.340 0.001 0.000 0.233 186 R C 1.860 178.169 176.300 0.016 0.000 1.137 186 R CA 1.703 57.822 56.100 0.032 0.000 0.945 186 R CB -0.565 29.741 30.300 0.010 0.000 0.845 186 R HN 0.295 nan 8.270 nan 0.000 0.430 187 D N -0.418 119.921 120.400 -0.101 0.000 2.271 187 D HA -0.187 4.453 4.640 0.001 0.000 0.207 187 D C 0.979 177.337 176.300 0.097 0.000 0.983 187 D CA 0.884 54.835 54.000 -0.082 0.000 0.878 187 D CB -0.111 40.555 40.800 -0.223 0.000 0.920 187 D HN 0.364 nan 8.370 nan 0.000 0.479 188 W N 0.136 121.533 121.300 0.161 0.000 3.325 188 W HA 0.438 5.099 4.660 0.001 0.000 0.370 188 W C 1.409 177.857 176.519 -0.117 0.000 1.169 188 W CA 0.240 57.674 57.345 0.148 0.000 1.874 188 W CB -0.568 29.146 29.460 0.424 0.000 1.076 188 W HN 0.089 nan 8.180 nan 0.000 0.684 189 G N 0.053 108.892 108.800 0.064 0.000 2.179 189 G HA2 -0.338 3.622 3.960 0.001 0.000 0.260 189 G HA3 -0.338 3.622 3.960 0.001 0.000 0.260 189 G C -0.283 174.492 174.900 -0.208 0.000 0.977 189 G CA -0.165 44.864 45.100 -0.119 0.000 0.641 189 G HN 0.239 nan 8.290 nan 0.000 0.533 190 Y N 0.489 120.916 120.300 0.211 0.000 2.595 190 Y HA 0.542 5.092 4.550 0.001 0.000 0.347 190 Y C 0.930 176.901 175.900 0.118 0.000 1.025 190 Y CA -0.962 57.253 58.100 0.191 0.000 1.295 190 Y CB 1.156 39.782 38.460 0.278 0.000 1.147 190 Y HN 0.012 nan 8.280 nan 0.000 0.515 191 K N 3.704 124.210 120.400 0.177 0.000 2.081 191 K HA 0.162 4.482 4.320 0.001 0.000 0.230 191 K C -0.692 175.974 176.600 0.110 0.000 1.199 191 K CA -0.168 56.186 56.287 0.111 0.000 1.130 191 K CB -0.816 31.724 32.500 0.067 0.000 1.386 191 K HN 0.480 nan 8.250 nan 0.000 0.280 192 V N 0.326 120.314 119.914 0.124 0.000 2.607 192 V HA 0.356 4.477 4.120 0.001 0.000 0.289 192 V C 0.107 176.250 176.094 0.081 0.000 1.053 192 V CA -0.827 61.546 62.300 0.123 0.000 0.996 192 V CB 1.069 33.006 31.823 0.190 0.000 0.995 192 V HN 0.536 nan 8.190 nan 0.000 0.476 193 N N 2.562 121.308 118.700 0.076 0.000 2.495 193 N HA 0.286 5.026 4.740 0.001 0.000 0.280 193 N C -0.077 175.494 175.510 0.103 0.000 1.168 193 N CA -0.499 52.590 53.050 0.065 0.000 0.978 193 N CB 1.033 39.540 38.487 0.033 0.000 1.191 193 N HN 0.736 nan 8.380 nan 0.000 0.497 194 D N 0.031 120.479 120.400 0.079 0.000 2.221 194 D HA -0.134 4.506 4.640 0.001 0.000 0.204 194 D C 0.149 176.530 176.300 0.134 0.000 0.982 194 D CA 1.307 55.359 54.000 0.087 0.000 0.857 194 D CB 0.081 40.920 40.800 0.065 0.000 0.934 194 D HN 0.608 nan 8.370 nan 0.000 0.475 195 E N -0.869 119.412 120.200 0.134 0.000 2.222 195 E HA 0.121 4.472 4.350 0.001 0.000 0.267 195 E C -0.627 176.112 176.600 0.231 0.000 0.963 195 E CA -0.971 55.529 56.400 0.167 0.000 0.837 195 E CB 1.025 30.789 29.700 0.107 0.000 1.183 195 E HN 0.099 nan 8.360 nan 0.000 0.403 196 W N 4.391 125.718 121.300 0.045 0.000 1.864 196 W HA 0.093 4.754 4.660 0.001 0.000 0.425 196 W C -1.006 175.530 176.519 0.029 0.000 0.791 196 W CA -0.407 56.959 57.345 0.035 0.000 1.650 196 W CB 0.057 29.524 29.460 0.011 0.000 1.791 196 W HN 0.678 nan 8.180 nan 0.000 0.266 197 N N 0.175 118.739 118.700 -0.226 0.000 2.725 197 N HA 0.115 4.855 4.740 0.001 0.000 0.312 197 N C 0.729 176.037 175.510 -0.336 0.000 1.295 197 N CA -0.419 52.512 53.050 -0.199 0.000 0.914 197 N CB 0.224 38.657 38.487 -0.090 0.000 1.177 197 N HN 0.017 nan 8.380 nan 0.000 0.601 198 E N -0.961 119.122 120.200 -0.195 0.000 2.204 198 E HA 0.005 4.355 4.350 0.001 0.000 0.195 198 E C 1.692 178.185 176.600 -0.180 0.000 0.990 198 E CA 1.616 57.911 56.400 -0.176 0.000 0.821 198 E CB -0.862 28.785 29.700 -0.087 0.000 0.750 198 E HN 0.745 nan 8.360 nan 0.000 0.477 199 G N -0.604 108.105 108.800 -0.152 0.000 2.404 199 G HA2 -0.230 3.730 3.960 0.001 0.000 0.215 199 G HA3 -0.230 3.730 3.960 0.001 0.000 0.215 199 G C 1.804 176.616 174.900 -0.146 0.000 1.174 199 G CA 0.882 45.919 45.100 -0.106 0.000 0.780 199 G HN 0.312 nan 8.290 nan 0.000 0.537 200 S N 0.596 116.141 115.700 -0.259 0.000 2.355 200 S HA -0.031 4.439 4.470 0.001 0.000 0.222 200 S C 2.297 176.582 174.600 -0.525 0.000 1.031 200 S CA 0.868 58.871 58.200 -0.328 0.000 0.993 200 S CB -0.248 62.710 63.200 -0.404 0.000 0.859 200 S HN 0.368 nan 8.310 nan 0.000 0.453 201 I N 1.304 121.383 120.570 -0.818 0.000 2.118 201 I HA -0.269 3.901 4.170 0.001 0.000 0.241 201 I C 2.773 178.782 176.117 -0.180 0.000 1.070 201 I CA 1.442 62.388 61.300 -0.591 0.000 1.327 201 I CB -0.370 37.365 38.000 -0.442 0.000 1.034 201 I HN 0.266 nan 8.210 nan 0.000 0.405 202 Q N 0.516 120.239 119.800 -0.127 0.000 2.167 202 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 202 Q C 2.038 178.071 176.000 0.054 0.000 0.970 202 Q CA 1.321 57.114 55.803 -0.017 0.000 0.855 202 Q CB 0.028 28.759 28.738 -0.013 0.000 0.911 202 Q HN 0.345 nan 8.270 nan 0.000 0.438 203 E N -0.925 119.314 120.200 0.065 0.000 2.107 203 E HA -0.073 4.277 4.350 0.001 0.000 0.191 203 E C 1.973 178.710 176.600 0.228 0.000 0.982 203 E CA 0.831 57.347 56.400 0.194 0.000 0.809 203 E CB -0.054 29.770 29.700 0.206 0.000 0.756 203 E HN 0.209 nan 8.360 nan 0.000 0.459 204 V N 1.769 121.783 119.914 0.166 0.000 2.343 204 V HA -0.243 3.878 4.120 0.001 0.000 0.247 204 V C 2.282 178.499 176.094 0.206 0.000 1.051 204 V CA 1.637 64.064 62.300 0.212 0.000 1.036 204 V CB -0.365 31.615 31.823 0.262 0.000 0.654 204 V HN 0.207 nan 8.190 nan 0.000 0.451 205 K N -0.172 120.315 120.400 0.144 0.000 2.057 205 K HA -0.218 4.103 4.320 0.001 0.000 0.207 205 K C 2.379 179.045 176.600 0.110 0.000 1.049 205 K CA 1.628 57.980 56.287 0.108 0.000 0.931 205 K CB -0.244 32.302 32.500 0.078 0.000 0.714 205 K HN 0.326 nan 8.250 nan 0.000 0.440 206 R N 0.486 121.081 120.500 0.159 0.000 2.073 206 R HA -0.171 4.170 4.340 0.001 0.000 0.234 206 R C 2.197 178.596 176.300 0.164 0.000 1.134 206 R CA 1.441 57.662 56.100 0.203 0.000 0.952 206 R CB -0.378 30.123 30.300 0.336 0.000 0.850 206 R HN 0.146 nan 8.270 nan 0.000 0.433 207 F N 1.181 121.034 119.950 -0.162 0.000 2.095 207 F HA -0.215 4.313 4.527 0.001 0.000 0.298 207 F C 1.709 177.467 175.800 -0.070 0.000 1.104 207 F CA 1.671 59.365 58.000 -0.510 0.000 1.232 207 F CB -0.319 38.303 39.000 -0.629 0.000 0.987 207 F HN 0.006 nan 8.300 nan 0.000 0.475 208 L N -0.517 120.697 121.223 -0.015 0.000 1.994 208 L HA -0.233 4.108 4.340 0.001 0.000 0.208 208 L C 2.394 179.161 176.870 -0.172 0.000 1.071 208 L CA 1.943 56.722 54.840 -0.101 0.000 0.745 208 L CB -1.300 40.764 42.059 0.008 0.000 0.892 208 L HN 0.146 nan 8.230 nan 0.000 0.431 209 T N -1.010 113.473 114.554 -0.118 0.000 2.759 209 T HA -0.186 4.164 4.350 0.001 0.000 0.269 209 T C 1.462 176.086 174.700 -0.126 0.000 1.042 209 T CA 1.415 63.438 62.100 -0.129 0.000 1.140 209 T CB -0.271 68.597 68.868 0.000 0.000 0.864 209 T HN 0.308 nan 8.240 nan 0.000 0.455 210 D N 0.157 120.467 120.400 -0.150 0.000 2.092 210 D HA -0.083 4.558 4.640 0.001 0.000 0.193 210 D C 1.783 177.833 176.300 -0.417 0.000 0.994 210 D CA 1.038 54.887 54.000 -0.252 0.000 0.828 210 D CB -0.307 40.346 40.800 -0.244 0.000 0.963 210 D HN 0.546 nan 8.370 nan 0.000 0.450 211 W N 1.154 122.205 121.300 -0.416 0.000 2.402 211 W HA 0.049 4.710 4.660 0.001 0.000 0.286 211 W C 2.427 178.725 176.519 -0.368 0.000 1.221 211 W CA 0.063 57.124 57.345 -0.472 0.000 1.257 211 W CB -0.344 28.705 29.460 -0.685 0.000 1.120 211 W HN -0.067 nan 8.180 nan 0.000 0.551 212 I N 0.290 120.786 120.570 -0.124 0.000 2.264 212 I HA -0.298 3.872 4.170 0.001 0.000 0.248 212 I C 1.998 178.074 176.117 -0.070 0.000 1.111 212 I CA 1.482 62.705 61.300 -0.129 0.000 1.382 212 I CB -0.422 37.428 38.000 -0.251 0.000 1.060 212 I HN 0.094 nan 8.210 nan 0.000 0.418 213 E N 0.262 120.414 120.200 -0.080 0.000 2.072 213 E HA -0.202 4.149 4.350 0.001 0.000 0.190 213 E C 2.296 178.866 176.600 -0.050 0.000 0.982 213 E CA 0.728 57.102 56.400 -0.042 0.000 0.803 213 E CB -0.067 29.599 29.700 -0.057 0.000 0.755 213 E HN 0.340 nan 8.360 nan 0.000 0.453 214 R N 0.143 120.565 120.500 -0.130 0.000 2.090 214 R HA -0.000 4.341 4.340 0.001 0.000 0.228 214 R C 2.063 178.395 176.300 0.054 0.000 1.110 214 R CA 1.148 57.198 56.100 -0.083 0.000 0.973 214 R CB 0.145 30.253 30.300 -0.321 0.000 0.869 214 R HN 0.157 nan 8.270 nan 0.000 0.440 215 M N -1.013 118.518 119.600 -0.115 0.000 2.534 215 M HA 0.038 4.519 4.480 0.001 0.000 0.263 215 M C 0.042 176.374 176.300 0.053 0.000 1.152 215 M CA 0.282 55.443 55.300 -0.233 0.000 1.145 215 M CB 0.474 32.697 32.600 -0.628 0.000 1.333 215 M HN -0.026 nan 8.290 nan 0.000 0.477 216 D N 1.523 121.942 120.400 0.030 0.000 2.689 216 D HA -0.092 4.548 4.640 0.001 0.000 0.237 216 D C -2.269 174.079 176.300 0.080 0.000 1.148 216 D CA 0.123 54.167 54.000 0.073 0.000 0.656 216 D CB -0.400 40.470 40.800 0.116 0.000 1.050 216 D HN 0.186 nan 8.370 nan 0.000 0.426 217 P HA 0.035 nan 4.420 nan 0.000 0.272 217 P C 1.395 178.704 177.300 0.014 0.000 1.223 217 P CA -0.049 63.040 63.100 -0.018 0.000 0.784 217 P CB 1.262 32.893 31.700 -0.115 0.000 0.923 218 V N -0.393 119.524 119.914 0.004 0.000 3.217 218 V HA 0.065 4.186 4.120 0.001 0.000 0.264 218 V C 0.378 176.537 176.094 0.108 0.000 1.135 218 V CA 0.912 63.262 62.300 0.084 0.000 1.142 218 V CB -1.968 29.966 31.823 0.186 0.000 0.754 218 V HN 0.685 nan 8.190 nan 0.000 0.484 219 Y N -3.593 116.722 120.300 0.025 0.000 2.765 219 Y HA 0.693 5.244 4.550 0.001 0.000 0.350 219 Y C -1.219 174.690 175.900 0.014 0.000 1.196 219 Y CA -2.358 55.741 58.100 -0.001 0.000 1.119 219 Y CB 0.541 38.991 38.460 -0.016 0.000 1.368 219 Y HN -0.042 nan 8.280 nan 0.000 0.463 220 M N 2.552 122.347 119.600 0.325 0.000 2.300 220 M HA 0.837 5.317 4.480 0.001 0.000 0.348 220 M C -0.410 176.159 176.300 0.449 0.000 1.151 220 M CA -0.762 54.697 55.300 0.264 0.000 1.046 220 M CB 1.921 34.620 32.600 0.165 0.000 1.647 220 M HN 0.916 nan 8.290 nan 0.000 0.451 221 A N 2.507 125.526 122.820 0.331 0.000 2.430 221 A HA 0.966 5.287 4.320 0.001 0.000 0.300 221 A C -1.421 176.265 177.584 0.169 0.000 1.124 221 A CA -0.791 51.379 52.037 0.222 0.000 0.766 221 A CB 2.165 21.305 19.000 0.233 0.000 1.328 221 A HN 0.683 nan 8.150 nan 0.000 0.424 222 V N 0.704 120.630 119.914 0.021 0.000 3.023 222 V HA 0.656 4.777 4.120 0.001 0.000 0.294 222 V C -0.659 175.389 176.094 -0.076 0.000 1.324 222 V CA 0.167 62.490 62.300 0.039 0.000 0.979 222 V CB 2.414 34.313 31.823 0.127 0.000 1.093 222 V HN 1.748 nan 8.190 nan 0.000 0.434 223 S N 6.917 122.632 115.700 0.025 0.000 2.489 223 S HA 0.877 5.347 4.470 0.001 0.000 0.291 223 S C -0.819 173.819 174.600 0.063 0.000 1.151 223 S CA -0.650 57.593 58.200 0.072 0.000 1.082 223 S CB 1.318 64.691 63.200 0.289 0.000 1.019 223 S HN 0.770 nan 8.310 nan 0.000 0.492 224 L N 2.936 124.170 121.223 0.019 0.000 2.323 224 L HA 0.695 5.035 4.340 0.001 0.000 0.265 224 L C -2.312 174.620 176.870 0.103 0.000 1.012 224 L CA -2.752 52.082 54.840 -0.010 0.000 0.820 224 L CB 2.427 44.286 42.059 -0.334 0.000 1.334 224 L HN 0.492 nan 8.230 nan 0.000 0.427 225 P HA 0.270 nan 4.420 nan 0.000 0.278 225 P C -2.509 174.872 177.300 0.135 0.000 1.266 225 P CA -1.788 61.391 63.100 0.131 0.000 0.807 225 P CB 0.753 32.530 31.700 0.128 0.000 1.094 226 P HA -0.107 nan 4.420 nan 0.000 0.219 226 P C 1.274 178.629 177.300 0.092 0.000 1.146 226 P CA 1.993 65.129 63.100 0.060 0.000 0.808 226 P CB -0.596 31.102 31.700 -0.003 0.000 0.779 227 T N -4.802 109.811 114.554 0.098 0.000 3.194 227 T HA 0.033 4.384 4.350 0.001 0.000 0.251 227 T C 0.368 175.137 174.700 0.114 0.000 1.132 227 T CA -0.476 61.673 62.100 0.082 0.000 1.028 227 T CB -1.275 67.626 68.868 0.055 0.000 0.976 227 T HN -0.122 nan 8.240 nan 0.000 0.535 228 F N 3.489 123.460 119.950 0.036 0.000 2.612 228 F HA 0.349 4.876 4.527 0.001 0.000 0.389 228 F C -0.034 175.799 175.800 0.055 0.000 1.055 228 F CA -0.252 57.779 58.000 0.051 0.000 1.232 228 F CB 0.076 39.109 39.000 0.055 0.000 1.044 228 F HN 0.068 nan 8.300 nan 0.000 0.560 229 S N 6.221 121.473 115.700 -0.747 0.000 2.599 229 S HA 0.777 5.248 4.470 0.001 0.000 0.287 229 S C -1.639 172.556 174.600 -0.674 0.000 1.105 229 S CA -0.606 57.232 58.200 -0.603 0.000 0.899 229 S CB 2.073 65.104 63.200 -0.281 0.000 1.100 229 S HN 0.599 nan 8.310 nan 0.000 0.482 230 F N 1.613 121.222 119.950 -0.569 0.000 2.652 230 F HA 0.441 4.968 4.527 0.001 0.000 0.320 230 F C -3.004 172.547 175.800 -0.415 0.000 1.115 230 F CA -1.176 56.578 58.000 -0.409 0.000 1.053 230 F CB 1.138 39.952 39.000 -0.310 0.000 1.297 230 F HN 0.369 nan 8.300 nan 0.000 0.471 231 P HA 0.264 nan 4.420 nan 0.000 0.271 231 P C -1.631 175.250 177.300 -0.699 0.000 1.244 231 P CA 0.031 62.300 63.100 -1.384 0.000 0.793 231 P CB 0.582 31.706 31.700 -0.959 0.000 0.984 232 E N 0.144 120.008 120.200 -0.559 0.000 2.481 232 E HA 0.071 4.421 4.350 0.001 0.000 0.301 232 E C -1.038 175.421 176.600 -0.236 0.000 0.948 232 E CA -0.398 55.817 56.400 -0.308 0.000 0.804 232 E CB 0.807 30.369 29.700 -0.230 0.000 1.265 232 E HN 0.202 nan 8.360 nan 0.000 0.406 233 E N 2.398 122.488 120.200 -0.183 0.000 1.842 233 E HA 0.136 4.486 4.350 0.001 0.000 0.278 233 E C -0.760 175.760 176.600 -0.133 0.000 1.171 233 E CA 0.224 56.535 56.400 -0.149 0.000 1.127 233 E CB 0.099 29.734 29.700 -0.109 0.000 1.100 233 E HN 0.470 nan 8.360 nan 0.000 0.456 234 S N 0.491 116.095 115.700 -0.161 0.000 2.671 234 S HA 0.382 4.852 4.470 0.001 0.000 0.277 234 S C 0.824 175.286 174.600 -0.230 0.000 1.165 234 S CA -0.887 57.229 58.200 -0.140 0.000 0.822 234 S CB 1.137 64.286 63.200 -0.085 0.000 1.150 234 S HN 0.080 nan 8.310 nan 0.000 0.479 235 N N 0.979 119.549 118.700 -0.218 0.000 2.120 235 N HA -0.097 4.643 4.740 0.001 0.000 0.188 235 N C 1.741 177.025 175.510 -0.377 0.000 1.024 235 N CA 1.404 54.217 53.050 -0.395 0.000 0.852 235 N CB -0.619 37.742 38.487 -0.212 0.000 1.003 235 N HN 0.690 nan 8.380 nan 0.000 0.424 236 R N 0.539 120.949 120.500 -0.150 0.000 2.083 236 R HA -0.085 4.255 4.340 0.001 0.000 0.237 236 R C 2.260 178.570 176.300 0.016 0.000 1.137 236 R CA 1.740 57.825 56.100 -0.026 0.000 0.951 236 R CB -0.617 29.750 30.300 0.112 0.000 0.851 236 R HN 0.228 nan 8.270 nan 0.000 0.434 237 G N 0.301 109.099 108.800 -0.004 0.000 2.440 237 G HA2 -0.266 3.695 3.960 0.001 0.000 0.218 237 G HA3 -0.266 3.695 3.960 0.001 0.000 0.218 237 G C 1.427 176.311 174.900 -0.027 0.000 1.154 237 G CA 0.704 45.826 45.100 0.038 0.000 0.767 237 G HN 0.308 nan 8.290 nan 0.000 0.552 238 R N -0.235 120.106 120.500 -0.265 0.000 2.062 238 R HA 0.124 4.465 4.340 0.001 0.000 0.229 238 R C 2.654 178.765 176.300 -0.315 0.000 1.128 238 R CA 0.994 56.848 56.100 -0.409 0.000 0.960 238 R CB -0.401 29.302 30.300 -0.995 0.000 0.855 238 R HN 0.359 nan 8.270 nan 0.000 0.432 239 I N 0.760 121.046 120.570 -0.472 0.000 2.208 239 I HA -0.303 3.867 4.170 0.001 0.000 0.245 239 I C 2.261 178.355 176.117 -0.037 0.000 1.097 239 I CA 1.429 62.593 61.300 -0.226 0.000 1.363 239 I CB -0.254 37.563 38.000 -0.305 0.000 1.051 239 I HN 0.165 nan 8.210 nan 0.000 0.413 240 I N 0.190 120.751 120.570 -0.015 0.000 2.202 240 I HA -0.275 3.895 4.170 0.001 0.000 0.242 240 I C 2.836 178.960 176.117 0.011 0.000 1.091 240 I CA 1.221 62.503 61.300 -0.030 0.000 1.368 240 I CB -0.402 37.643 38.000 0.075 0.000 1.058 240 I HN 0.188 nan 8.210 nan 0.000 0.410 241 R N 0.952 121.575 120.500 0.204 0.000 2.066 241 R HA -0.177 4.164 4.340 0.001 0.000 0.232 241 R C 1.577 177.990 176.300 0.189 0.000 1.131 241 R CA 2.045 58.301 56.100 0.261 0.000 0.955 241 R CB -0.110 30.384 30.300 0.323 0.000 0.851 241 R HN 0.325 nan 8.270 nan 0.000 0.432 242 D N -0.862 119.667 120.400 0.215 0.000 2.305 242 D HA -0.003 4.638 4.640 0.001 0.000 0.206 242 D C 1.537 177.950 176.300 0.187 0.000 0.974 242 D CA 0.609 54.757 54.000 0.247 0.000 0.871 242 D CB 0.289 41.341 40.800 0.421 0.000 0.947 242 D HN 0.314 nan 8.370 nan 0.000 0.516 243 C N 0.148 119.544 119.300 0.160 0.000 2.823 243 C HA 0.177 4.638 4.460 0.001 0.000 0.271 243 C C 2.401 177.389 174.990 -0.004 0.000 1.880 243 C CA -0.429 58.651 59.018 0.103 0.000 1.844 243 C CB -0.544 27.294 27.740 0.164 0.000 1.511 243 C HN 0.191 nan 8.230 nan 0.000 0.770 244 L N 1.723 122.900 121.223 -0.077 0.000 1.978 244 L HA -0.185 4.155 4.340 0.001 0.000 0.218 244 L C 2.254 178.956 176.870 -0.280 0.000 1.075 244 L CA 2.217 56.918 54.840 -0.232 0.000 0.767 244 L CB -1.326 40.479 42.059 -0.424 0.000 0.890 244 L HN 0.446 nan 8.230 nan 0.000 0.434 245 L N 0.226 121.277 121.223 -0.287 0.000 1.970 245 L HA -0.178 4.163 4.340 0.001 0.000 0.212 245 L C 0.017 176.805 176.870 -0.137 0.000 1.071 245 L CA 1.818 56.485 54.840 -0.288 0.000 0.751 245 L CB -2.278 39.531 42.059 -0.417 0.000 0.889 245 L HN 0.255 nan 8.230 nan 0.000 0.432 246 P HA -0.141 nan 4.420 nan 0.000 0.215 246 P C 1.880 179.186 177.300 0.010 0.000 1.153 246 P CA 1.474 64.585 63.100 0.019 0.000 0.853 246 P CB 0.015 31.749 31.700 0.057 0.000 0.788 247 V N 1.137 121.042 119.914 -0.014 0.000 2.261 247 V HA -0.229 3.892 4.120 0.001 0.000 0.246 247 V C 2.948 179.033 176.094 -0.016 0.000 1.047 247 V CA 2.305 64.603 62.300 -0.004 0.000 1.015 247 V CB -1.776 30.008 31.823 -0.065 0.000 0.642 247 V HN 0.106 nan 8.190 nan 0.000 0.446 248 A N -0.136 122.624 122.820 -0.101 0.000 1.917 248 A HA -0.339 3.981 4.320 0.001 0.000 0.219 248 A C 2.296 179.842 177.584 -0.063 0.000 1.182 248 A CA 2.365 54.333 52.037 -0.115 0.000 0.633 248 A CB -0.624 18.250 19.000 -0.209 0.000 0.819 248 A HN 0.692 nan 8.150 nan 0.000 0.448 249 E N -0.237 119.929 120.200 -0.057 0.000 2.110 249 E HA -0.241 4.110 4.350 0.001 0.000 0.193 249 E C 2.044 178.649 176.600 0.009 0.000 0.988 249 E CA 1.467 57.849 56.400 -0.031 0.000 0.804 249 E CB -0.152 29.546 29.700 -0.004 0.000 0.745 249 E HN 0.660 nan 8.360 nan 0.000 0.458 250 K N -0.317 120.117 120.400 0.056 0.000 1.985 250 K HA -0.186 4.134 4.320 0.001 0.000 0.210 250 K C 1.675 178.297 176.600 0.037 0.000 1.047 250 K CA 1.822 58.147 56.287 0.064 0.000 0.932 250 K CB -0.170 32.410 32.500 0.133 0.000 0.716 250 K HN 0.233 nan 8.250 nan 0.000 0.439 251 H N 0.266 119.310 119.070 -0.043 0.000 2.556 251 H HA 0.091 4.647 4.556 0.001 0.000 0.268 251 H C -0.105 175.191 175.328 -0.054 0.000 0.996 251 H CA 0.763 56.786 56.048 -0.041 0.000 1.157 251 H CB -0.493 29.247 29.762 -0.038 0.000 1.355 251 H HN 0.424 nan 8.280 nan 0.000 0.597 252 N N 0.523 119.242 118.700 0.033 0.000 2.725 252 N HA -0.189 4.552 4.740 0.001 0.000 0.251 252 N C -1.064 174.411 175.510 -0.059 0.000 1.031 252 N CA -0.134 52.891 53.050 -0.041 0.000 0.720 252 N CB -0.897 37.558 38.487 -0.053 0.000 0.930 252 N HN 0.308 nan 8.380 nan 0.000 0.543 253 I N 1.158 121.700 120.570 -0.046 0.000 2.404 253 I HA 0.428 4.599 4.170 0.001 0.000 0.293 253 I C -1.916 174.144 176.117 -0.093 0.000 0.992 253 I CA -2.061 59.210 61.300 -0.048 0.000 1.149 253 I CB 1.707 39.703 38.000 -0.008 0.000 1.315 253 I HN 0.000 nan 8.210 nan 0.000 0.446 254 P HA 0.071 nan 4.420 nan 0.000 0.274 254 P C -1.045 176.289 177.300 0.055 0.000 1.231 254 P CA -0.155 62.883 63.100 -0.103 0.000 0.790 254 P CB 0.897 32.535 31.700 -0.102 0.000 0.951 255 F N 2.175 121.998 119.950 -0.211 0.000 2.388 255 F HA 0.556 5.083 4.527 0.001 0.000 0.358 255 F C -0.613 175.157 175.800 -0.051 0.000 1.122 255 F CA -1.755 56.172 58.000 -0.122 0.000 1.056 255 F CB 0.625 39.508 39.000 -0.195 0.000 1.155 255 F HN 0.355 nan 8.300 nan 0.000 0.461 256 A N 8.288 130.968 122.820 -0.233 0.000 2.269 256 A HA 0.638 4.958 4.320 0.001 0.000 0.302 256 A C -0.550 176.676 177.584 -0.596 0.000 1.266 256 A CA -0.551 51.227 52.037 -0.433 0.000 0.894 256 A CB -0.016 18.615 19.000 -0.615 0.000 1.147 256 A HN 0.786 nan 8.150 nan 0.000 0.537 257 M N 3.950 123.214 119.600 -0.560 0.000 2.072 257 M HA 0.362 4.842 4.480 0.001 0.000 0.331 257 M C -0.685 175.357 176.300 -0.430 0.000 1.004 257 M CA 0.272 55.217 55.300 -0.592 0.000 0.952 257 M CB 1.368 33.586 32.600 -0.636 0.000 1.511 257 M HN 0.594 nan 8.290 nan 0.000 0.422 258 M N 5.667 124.997 119.600 -0.451 0.000 2.103 258 M HA 0.486 4.967 4.480 0.001 0.000 0.350 258 M C -0.857 175.344 176.300 -0.164 0.000 1.100 258 M CA -0.229 54.708 55.300 -0.604 0.000 1.042 258 M CB 0.131 32.031 32.600 -1.166 0.000 1.368 258 M HN 0.605 nan 8.290 nan 0.000 0.404 259 I N 1.124 121.681 120.570 -0.021 0.000 2.428 259 I HA 0.619 4.790 4.170 0.001 0.000 0.296 259 I C 1.099 177.365 176.117 0.249 0.000 0.985 259 I CA -0.147 61.206 61.300 0.088 0.000 1.260 259 I CB 1.610 39.594 38.000 -0.026 0.000 1.389 259 I HN 0.958 nan 8.210 nan 0.000 0.484 260 G N 3.739 112.641 108.800 0.169 0.000 2.260 260 G HA2 -0.184 3.776 3.960 0.001 0.000 0.179 260 G HA3 -0.184 3.776 3.960 0.001 0.000 0.179 260 G C -0.188 174.691 174.900 -0.035 0.000 1.002 260 G CA -0.189 44.949 45.100 0.062 0.000 0.677 260 G HN 0.512 nan 8.290 nan 0.000 0.486 261 V N 1.431 121.370 119.914 0.042 0.000 2.498 261 V HA 0.689 4.810 4.120 0.001 0.000 0.279 261 V C 0.277 176.387 176.094 0.026 0.000 1.048 261 V CA -0.238 62.039 62.300 -0.039 0.000 0.967 261 V CB 1.462 33.345 31.823 0.101 0.000 0.988 261 V HN 0.269 nan 8.190 nan 0.000 0.473 262 K N 6.385 126.782 120.400 -0.005 0.000 2.316 262 K HA 0.411 4.731 4.320 0.001 0.000 0.267 262 K C -0.430 176.236 176.600 0.110 0.000 1.025 262 K CA -0.759 55.568 56.287 0.066 0.000 0.896 262 K CB 0.572 33.124 32.500 0.086 0.000 1.124 262 K HN 0.584 nan 8.250 nan 0.000 0.451 263 K N 3.084 123.557 120.400 0.121 0.000 2.295 263 K HA 0.105 4.425 4.320 0.001 0.000 0.270 263 K C -0.002 176.668 176.600 0.117 0.000 1.011 263 K CA -0.108 56.260 56.287 0.135 0.000 0.953 263 K CB 0.585 33.164 32.500 0.132 0.000 0.956 263 K HN 0.636 nan 8.250 nan 0.000 0.477 264 R N -0.451 120.122 120.500 0.121 0.000 3.416 264 R HA -0.167 4.174 4.340 0.001 0.000 0.263 264 R C 1.103 177.464 176.300 0.100 0.000 1.053 264 R CA 0.555 56.719 56.100 0.106 0.000 0.705 264 R CB -2.553 27.797 30.300 0.084 0.000 1.124 264 R HN 0.569 nan 8.270 nan 0.000 0.444 265 V N -3.853 116.124 119.914 0.105 0.000 2.809 265 V HA -0.102 4.019 4.120 0.001 0.000 0.256 265 V C 1.058 177.193 176.094 0.068 0.000 1.080 265 V CA 1.732 64.065 62.300 0.054 0.000 1.102 265 V CB -0.281 31.543 31.823 0.002 0.000 0.705 265 V HN 0.584 nan 8.190 nan 0.000 0.475 266 H N 0.100 119.171 119.070 0.001 0.000 2.429 266 H HA 0.356 4.913 4.556 0.001 0.000 0.231 266 H C -2.085 173.273 175.328 0.050 0.000 1.416 266 H CA -1.877 54.176 56.048 0.007 0.000 1.443 266 H CB 1.648 31.404 29.762 -0.011 0.000 1.591 266 H HN 0.125 nan 8.280 nan 0.000 0.507 267 P HA -0.300 nan 4.420 nan 0.000 0.219 267 P C 1.456 178.821 177.300 0.108 0.000 1.158 267 P CA 2.372 65.551 63.100 0.133 0.000 0.895 267 P CB 0.206 31.972 31.700 0.110 0.000 0.792 268 A N -1.220 121.700 122.820 0.168 0.000 2.024 268 A HA -0.154 4.166 4.320 0.001 0.000 0.220 268 A C 2.087 179.792 177.584 0.202 0.000 1.164 268 A CA 1.299 53.432 52.037 0.160 0.000 0.643 268 A CB -1.512 17.621 19.000 0.222 0.000 0.806 268 A HN 0.180 nan 8.150 nan 0.000 0.451 269 L N -1.390 119.810 121.223 -0.037 0.000 2.552 269 L HA 0.128 4.469 4.340 0.001 0.000 0.227 269 L C 1.837 178.882 176.870 0.291 0.000 1.146 269 L CA 0.302 55.203 54.840 0.101 0.000 0.858 269 L CB -0.890 41.064 42.059 -0.175 0.000 0.969 269 L HN 0.652 nan 8.230 nan 0.000 0.451 270 G N 0.722 109.588 108.800 0.111 0.000 2.583 270 G HA2 -0.386 3.574 3.960 0.001 0.000 0.292 270 G HA3 -0.386 3.574 3.960 0.001 0.000 0.292 270 G C 0.534 175.448 174.900 0.025 0.000 1.203 270 G CA 0.339 45.438 45.100 -0.003 0.000 0.987 270 G HN 0.268 nan 8.290 nan 0.000 0.554 271 D N 1.224 121.615 120.400 -0.014 0.000 2.311 271 D HA 0.083 4.724 4.640 0.001 0.000 0.212 271 D C 2.344 178.462 176.300 -0.304 0.000 0.972 271 D CA 1.526 55.415 54.000 -0.185 0.000 0.887 271 D CB -0.385 40.251 40.800 -0.273 0.000 0.915 271 D HN 0.817 nan 8.370 nan 0.000 0.497 272 A N 0.174 122.995 122.820 0.001 0.000 2.337 272 A HA 0.355 4.675 4.320 0.001 0.000 0.227 272 A C 1.819 179.491 177.584 0.147 0.000 1.259 272 A CA 0.349 52.482 52.037 0.160 0.000 0.870 272 A CB 0.049 19.196 19.000 0.245 0.000 0.927 272 A HN 0.182 nan 8.150 nan 0.000 0.497 273 G N -0.675 108.195 108.800 0.117 0.000 3.337 273 G HA2 0.247 4.207 3.960 0.001 0.000 0.246 273 G HA3 0.247 4.207 3.960 0.001 0.000 0.246 273 G C -0.433 174.566 174.900 0.165 0.000 1.131 273 G CA -0.167 45.008 45.100 0.125 0.000 0.773 273 G HN 0.307 nan 8.290 nan 0.000 0.544 274 D N 0.051 120.583 120.400 0.219 0.000 2.264 274 D HA 0.481 5.122 4.640 0.001 0.000 0.249 274 D C -0.665 175.748 176.300 0.188 0.000 1.070 274 D CA -0.310 53.814 54.000 0.207 0.000 0.912 274 D CB 1.996 42.964 40.800 0.280 0.000 1.193 274 D HN -0.015 nan 8.370 nan 0.000 0.427 275 F N 1.118 121.013 119.950 -0.092 0.000 2.732 275 F HA 0.654 5.182 4.527 0.001 0.000 0.394 275 F C -0.843 174.811 175.800 -0.244 0.000 1.194 275 F CA -1.231 56.637 58.000 -0.221 0.000 1.127 275 F CB 1.032 39.930 39.000 -0.170 0.000 1.470 275 F HN 0.091 nan 8.300 nan 0.000 0.505 276 V N 0.380 119.582 119.914 -1.186 0.000 3.078 276 V HA 0.929 5.049 4.120 0.001 0.000 0.311 276 V C -0.938 174.620 176.094 -0.894 0.000 1.138 276 V CA 0.010 61.794 62.300 -0.859 0.000 1.007 276 V CB 1.790 33.189 31.823 -0.706 0.000 1.045 276 V HN 1.120 nan 8.190 nan 0.000 0.432 277 G N 2.749 111.283 108.800 -0.444 0.000 2.718 277 G HA2 0.463 4.424 3.960 0.001 0.000 0.295 277 G HA3 0.463 4.424 3.960 0.001 0.000 0.295 277 G C -1.707 173.096 174.900 -0.162 0.000 1.421 277 G CA -0.826 44.099 45.100 -0.292 0.000 0.902 277 G HN 0.870 nan 8.290 nan 0.000 0.501 278 K N 0.491 120.821 120.400 -0.116 0.000 2.298 278 K HA 0.615 4.935 4.320 0.001 0.000 0.280 278 K C 0.292 176.880 176.600 -0.020 0.000 1.032 278 K CA -0.241 56.009 56.287 -0.062 0.000 0.958 278 K CB 0.937 33.405 32.500 -0.052 0.000 0.978 278 K HN 0.629 nan 8.250 nan 0.000 0.472 279 A N 2.530 125.355 122.820 0.009 0.000 2.281 279 A HA 0.346 4.667 4.320 0.001 0.000 0.329 279 A C -0.519 177.091 177.584 0.043 0.000 1.122 279 A CA -0.628 51.436 52.037 0.045 0.000 0.850 279 A CB 1.429 20.482 19.000 0.089 0.000 1.207 279 A HN 0.714 nan 8.150 nan 0.000 0.495 280 S N 0.199 115.930 115.700 0.052 0.000 2.584 280 S HA 0.347 4.818 4.470 0.001 0.000 0.273 280 S C 0.873 175.508 174.600 0.059 0.000 1.311 280 S CA -0.535 57.689 58.200 0.039 0.000 1.034 280 S CB 0.180 63.393 63.200 0.021 0.000 0.939 280 S HN 0.500 nan 8.310 nan 0.000 0.513 281 M N 2.699 122.329 119.600 0.050 0.000 2.556 281 M HA 0.099 4.580 4.480 0.001 0.000 0.245 281 M C 0.860 177.199 176.300 0.065 0.000 1.128 281 M CA 0.348 55.683 55.300 0.059 0.000 1.069 281 M CB -1.426 31.204 32.600 0.050 0.000 1.469 281 M HN 0.587 nan 8.290 nan 0.000 0.494 282 D N 1.195 121.627 120.400 0.053 0.000 2.126 282 D HA -0.151 4.490 4.640 0.001 0.000 0.190 282 D C 2.078 178.426 176.300 0.079 0.000 1.001 282 D CA 1.954 55.987 54.000 0.055 0.000 0.841 282 D CB -0.566 40.246 40.800 0.021 0.000 0.949 282 D HN 0.427 nan 8.370 nan 0.000 0.446 283 G N 0.433 109.265 108.800 0.053 0.000 2.459 283 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 283 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 283 G C 1.856 176.844 174.900 0.146 0.000 1.183 283 G CA 1.131 46.281 45.100 0.085 0.000 0.776 283 G HN 0.278 nan 8.290 nan 0.000 0.552 284 V N 0.829 120.810 119.914 0.112 0.000 2.407 284 V HA -0.169 3.952 4.120 0.001 0.000 0.248 284 V C 2.559 178.584 176.094 -0.114 0.000 1.055 284 V CA 2.188 64.472 62.300 -0.025 0.000 1.049 284 V CB -0.378 31.436 31.823 -0.015 0.000 0.662 284 V HN 0.592 nan 8.190 nan 0.000 0.455 285 E N 0.005 120.198 120.200 -0.012 0.000 2.051 285 E HA -0.316 4.035 4.350 0.001 0.000 0.192 285 E C 2.198 178.722 176.600 -0.128 0.000 0.991 285 E CA 1.893 58.278 56.400 -0.026 0.000 0.799 285 E CB -0.200 29.561 29.700 0.101 0.000 0.748 285 E HN 0.805 nan 8.360 nan 0.000 0.449 286 H N 0.361 119.399 119.070 -0.053 0.000 2.290 286 H HA -0.117 4.440 4.556 0.001 0.000 0.298 286 H C 2.240 177.565 175.328 -0.006 0.000 1.087 286 H CA 2.207 58.262 56.048 0.012 0.000 1.291 286 H CB -0.288 29.567 29.762 0.154 0.000 1.369 286 H HN 0.127 nan 8.280 nan 0.000 0.492 287 L N -0.175 121.098 121.223 0.083 0.000 1.990 287 L HA -0.252 4.089 4.340 0.001 0.000 0.213 287 L C 2.660 179.366 176.870 -0.273 0.000 1.072 287 L CA 1.531 56.331 54.840 -0.066 0.000 0.755 287 L CB -0.526 41.217 42.059 -0.527 0.000 0.889 287 L HN 0.354 nan 8.230 nan 0.000 0.432 288 L N -0.895 119.963 121.223 -0.608 0.000 2.046 288 L HA -0.239 4.101 4.340 0.001 0.000 0.208 288 L C 2.818 179.307 176.870 -0.635 0.000 1.077 288 L CA 1.361 55.820 54.840 -0.635 0.000 0.747 288 L CB -0.526 40.981 42.059 -0.921 0.000 0.896 288 L HN 0.273 nan 8.230 nan 0.000 0.432 289 R N 0.043 120.064 120.500 -0.798 0.000 2.057 289 R HA -0.118 4.223 4.340 0.001 0.000 0.229 289 R C 2.168 178.318 176.300 -0.251 0.000 1.136 289 R CA 1.121 56.948 56.100 -0.455 0.000 0.952 289 R CB 0.045 30.177 30.300 -0.281 0.000 0.848 289 R HN 0.197 nan 8.270 nan 0.000 0.430 290 E N -0.134 119.843 120.200 -0.371 0.000 2.268 290 E HA -0.135 4.216 4.350 0.001 0.000 0.195 290 E C -0.055 176.221 176.600 -0.541 0.000 0.995 290 E CA 0.945 57.050 56.400 -0.490 0.000 0.836 290 E CB 0.123 29.358 29.700 -0.776 0.000 0.763 290 E HN 0.455 nan 8.360 nan 0.000 0.491 291 Y N 0.532 120.836 120.300 0.007 0.000 2.638 291 Y HA 0.206 4.757 4.550 0.001 0.000 0.367 291 Y C -1.549 174.434 175.900 0.139 0.000 1.001 291 Y CA -2.094 56.074 58.100 0.113 0.000 1.133 291 Y CB 1.060 39.659 38.460 0.231 0.000 1.199 291 Y HN -0.030 nan 8.280 nan 0.000 0.642 292 P HA -0.147 nan 4.420 nan 0.000 0.222 292 P C 0.082 177.462 177.300 0.133 0.000 1.147 292 P CA 1.418 64.606 63.100 0.146 0.000 0.790 292 P CB 0.384 32.141 31.700 0.096 0.000 0.780 293 N N -0.908 117.863 118.700 0.118 0.000 2.398 293 N HA 0.025 4.766 4.740 0.001 0.000 0.188 293 N C -0.024 175.494 175.510 0.012 0.000 1.122 293 N CA -0.108 52.979 53.050 0.061 0.000 0.866 293 N CB -0.259 38.261 38.487 0.055 0.000 0.970 293 N HN 0.211 nan 8.380 nan 0.000 0.462 294 N N 0.463 119.178 118.700 0.025 0.000 2.417 294 N HA 0.258 4.999 4.740 0.001 0.000 0.300 294 N C -0.947 174.386 175.510 -0.295 0.000 1.102 294 N CA -0.463 52.468 53.050 -0.198 0.000 0.886 294 N CB 1.326 39.614 38.487 -0.332 0.000 1.203 294 N HN -0.079 nan 8.380 nan 0.000 0.496 295 K N 1.502 121.640 120.400 -0.437 0.000 2.213 295 K HA 0.413 4.734 4.320 0.001 0.000 0.270 295 K C -1.144 175.271 176.600 -0.309 0.000 1.002 295 K CA -0.365 55.725 56.287 -0.328 0.000 0.868 295 K CB 1.033 33.148 32.500 -0.643 0.000 1.093 295 K HN 0.363 nan 8.250 nan 0.000 0.454 296 F N 3.034 123.168 119.950 0.306 0.000 2.449 296 F HA 0.367 4.895 4.527 0.001 0.000 0.342 296 F C -0.101 175.811 175.800 0.187 0.000 1.127 296 F CA -0.865 57.256 58.000 0.201 0.000 0.975 296 F CB 1.051 40.108 39.000 0.094 0.000 1.146 296 F HN 0.144 nan 8.300 nan 0.000 0.444 297 L N 4.820 126.164 121.223 0.201 0.000 2.265 297 L HA 0.676 5.017 4.340 0.001 0.000 0.289 297 L C -0.770 176.175 176.870 0.124 0.000 1.033 297 L CA -0.732 54.141 54.840 0.056 0.000 0.814 297 L CB 1.324 43.225 42.059 -0.263 0.000 1.203 297 L HN 0.355 nan 8.230 nan 0.000 0.423 298 V N 2.103 122.102 119.914 0.142 0.000 2.823 298 V HA 0.667 4.788 4.120 0.001 0.000 0.312 298 V C -0.217 175.657 176.094 -0.367 0.000 1.072 298 V CA -0.490 61.772 62.300 -0.063 0.000 0.937 298 V CB 2.294 34.063 31.823 -0.088 0.000 1.013 298 V HN 0.738 nan 8.190 nan 0.000 0.430 299 T N 4.552 118.784 114.554 -0.537 0.000 2.982 299 T HA 0.692 5.042 4.350 0.001 0.000 0.321 299 T C -1.151 173.409 174.700 -0.233 0.000 1.229 299 T CA -0.391 61.328 62.100 -0.636 0.000 1.044 299 T CB 1.252 69.330 68.868 -1.316 0.000 1.184 299 T HN 0.563 nan 8.240 nan 0.000 0.477 300 M N 3.948 123.540 119.600 -0.013 0.000 2.602 300 M HA 0.491 4.972 4.480 0.001 0.000 0.312 300 M C 0.062 176.530 176.300 0.281 0.000 1.181 300 M CA -0.864 54.529 55.300 0.155 0.000 0.910 300 M CB 2.219 34.847 32.600 0.046 0.000 1.723 300 M HN 0.482 nan 8.290 nan 0.000 0.459 301 L N 0.511 121.879 121.223 0.241 0.000 2.416 301 L HA 0.243 4.583 4.340 0.001 0.000 0.216 301 L C 0.848 177.691 176.870 -0.046 0.000 1.098 301 L CA 1.075 55.924 54.840 0.015 0.000 0.840 301 L CB 0.318 42.215 42.059 -0.270 0.000 0.981 301 L HN 0.689 nan 8.230 nan 0.000 0.462 302 S N -0.617 115.058 115.700 -0.041 0.000 2.513 302 S HA 0.136 4.607 4.470 0.001 0.000 0.276 302 S C 1.431 176.007 174.600 -0.041 0.000 1.254 302 S CA -0.473 57.680 58.200 -0.078 0.000 1.053 302 S CB 0.776 63.925 63.200 -0.086 0.000 0.958 302 S HN 0.373 nan 8.310 nan 0.000 0.491 303 R N 2.705 123.174 120.500 -0.051 0.000 2.105 303 R HA -0.111 4.230 4.340 0.001 0.000 0.239 303 R C 0.910 177.197 176.300 -0.022 0.000 1.135 303 R CA 1.898 57.981 56.100 -0.029 0.000 0.967 303 R CB -0.189 30.089 30.300 -0.037 0.000 0.861 303 R HN 0.656 nan 8.270 nan 0.000 0.442 304 E N -0.202 119.977 120.200 -0.035 0.000 2.478 304 E HA -0.064 4.286 4.350 0.001 0.000 0.198 304 E C 0.901 177.499 176.600 -0.004 0.000 1.046 304 E CA 0.815 57.201 56.400 -0.023 0.000 0.870 304 E CB -0.057 29.622 29.700 -0.036 0.000 0.818 304 E HN 0.489 nan 8.360 nan 0.000 0.527 305 N N -0.624 118.074 118.700 -0.004 0.000 2.388 305 N HA -0.053 4.688 4.740 0.001 0.000 0.176 305 N C 1.285 176.798 175.510 0.005 0.000 1.062 305 N CA -0.083 52.970 53.050 0.005 0.000 0.895 305 N CB 0.314 38.803 38.487 0.003 0.000 1.018 305 N HN -0.016 nan 8.380 nan 0.000 0.456 306 Q N 0.530 120.333 119.800 0.004 0.000 2.077 306 Q HA -0.247 4.094 4.340 0.001 0.000 0.206 306 Q C 1.795 177.786 176.000 -0.015 0.000 0.989 306 Q CA 1.488 57.285 55.803 -0.010 0.000 0.853 306 Q CB -0.842 27.893 28.738 -0.006 0.000 0.907 306 Q HN 0.600 nan 8.270 nan 0.000 0.418 307 H N 1.376 120.413 119.070 -0.054 0.000 2.326 307 H HA -0.092 4.464 4.556 0.001 0.000 0.301 307 H C 1.761 177.057 175.328 -0.053 0.000 1.081 307 H CA 1.727 57.739 56.048 -0.060 0.000 1.334 307 H CB 0.383 30.114 29.762 -0.051 0.000 1.385 307 H HN 0.513 nan 8.280 nan 0.000 0.504 308 E N 0.524 120.720 120.200 -0.007 0.000 2.204 308 E HA -0.141 4.209 4.350 0.001 0.000 0.194 308 E C 2.374 178.920 176.600 -0.091 0.000 0.989 308 E CA 0.787 57.160 56.400 -0.045 0.000 0.824 308 E CB -0.386 29.337 29.700 0.037 0.000 0.756 308 E HN 0.313 nan 8.360 nan 0.000 0.477 309 L N 1.455 122.629 121.223 -0.083 0.000 2.093 309 L HA -0.105 4.235 4.340 0.001 0.000 0.208 309 L C 2.261 179.059 176.870 -0.119 0.000 1.085 309 L CA 1.196 55.990 54.840 -0.076 0.000 0.755 309 L CB -0.191 41.826 42.059 -0.071 0.000 0.904 309 L HN -0.003 nan 8.230 nan 0.000 0.435 310 V N -1.194 118.602 119.914 -0.195 0.000 2.358 310 V HA -0.242 3.879 4.120 0.001 0.000 0.246 310 V C 2.494 178.454 176.094 -0.223 0.000 1.047 310 V CA 1.574 63.732 62.300 -0.236 0.000 1.035 310 V CB -0.447 31.185 31.823 -0.317 0.000 0.658 310 V HN 0.340 nan 8.190 nan 0.000 0.452 311 V N -0.327 119.422 119.914 -0.273 0.000 2.407 311 V HA -0.215 3.906 4.120 0.001 0.000 0.248 311 V C 2.348 178.374 176.094 -0.114 0.000 1.055 311 V CA 1.804 63.981 62.300 -0.205 0.000 1.049 311 V CB -0.546 31.157 31.823 -0.200 0.000 0.662 311 V HN 0.488 nan 8.190 nan 0.000 0.455 312 L N 0.916 122.099 121.223 -0.066 0.000 2.141 312 L HA -0.008 4.332 4.340 0.001 0.000 0.209 312 L C 2.388 179.285 176.870 0.044 0.000 1.094 312 L CA 2.146 57.002 54.840 0.026 0.000 0.763 312 L CB -0.878 41.227 42.059 0.076 0.000 0.908 312 L HN 0.232 nan 8.230 nan 0.000 0.437 313 A N -0.872 121.943 122.820 -0.008 0.000 2.067 313 A HA -0.147 4.174 4.320 0.001 0.000 0.219 313 A C 2.375 179.944 177.584 -0.026 0.000 1.158 313 A CA 1.185 53.226 52.037 0.007 0.000 0.661 313 A CB -0.473 18.507 19.000 -0.033 0.000 0.801 313 A HN 0.471 nan 8.150 nan 0.000 0.452 314 R N -0.426 120.027 120.500 -0.078 0.000 2.148 314 R HA -0.034 4.307 4.340 0.001 0.000 0.223 314 R C 1.689 177.899 176.300 -0.149 0.000 1.088 314 R CA 1.063 57.104 56.100 -0.098 0.000 0.985 314 R CB -0.038 30.195 30.300 -0.111 0.000 0.880 314 R HN 0.315 nan 8.270 nan 0.000 0.451 315 K N 0.050 120.309 120.400 -0.235 0.000 2.044 315 K HA 0.017 4.338 4.320 0.001 0.000 0.204 315 K C 0.276 176.466 176.600 -0.684 0.000 1.049 315 K CA 1.003 56.967 56.287 -0.538 0.000 0.945 315 K CB 0.105 32.120 32.500 -0.808 0.000 0.724 315 K HN 0.016 nan 8.250 nan 0.000 0.440 316 F N 1.157 121.117 119.950 0.017 0.000 2.427 316 F HA 0.156 4.683 4.527 0.001 0.000 0.348 316 F C 1.315 177.159 175.800 0.074 0.000 1.125 316 F CA -0.856 57.173 58.000 0.047 0.000 0.989 316 F CB 1.613 40.645 39.000 0.053 0.000 1.165 316 F HN -0.084 nan 8.300 nan 0.000 0.442 317 S N 0.516 116.357 115.700 0.236 0.000 2.474 317 S HA -0.186 4.285 4.470 0.001 0.000 0.235 317 S C 1.333 176.109 174.600 0.293 0.000 0.997 317 S CA 0.999 59.321 58.200 0.204 0.000 0.949 317 S CB -0.486 62.807 63.200 0.155 0.000 0.766 317 S HN 0.719 nan 8.310 nan 0.000 0.517 318 N N 1.248 120.152 118.700 0.341 0.000 2.449 318 N HA 0.072 4.813 4.740 0.001 0.000 0.191 318 N C -0.007 175.814 175.510 0.517 0.000 1.161 318 N CA -0.081 53.212 53.050 0.406 0.000 0.863 318 N CB -0.367 38.324 38.487 0.339 0.000 0.980 318 N HN 0.479 nan 8.380 nan 0.000 0.458 319 L N 0.699 122.141 121.223 0.365 0.000 2.313 319 L HA 0.585 4.925 4.340 0.001 0.000 0.283 319 L C -0.939 175.928 176.870 -0.005 0.000 1.013 319 L CA -0.750 54.231 54.840 0.236 0.000 0.816 319 L CB 1.669 43.837 42.059 0.182 0.000 1.236 319 L HN 0.024 nan 8.230 nan 0.000 0.419 320 M N 7.433 126.879 119.600 -0.257 0.000 2.053 320 M HA 0.495 4.976 4.480 0.001 0.000 0.297 320 M C -1.072 175.124 176.300 -0.172 0.000 0.921 320 M CA -0.801 54.192 55.300 -0.512 0.000 0.918 320 M CB 0.945 32.604 32.600 -1.569 0.000 1.499 320 M HN 0.525 nan 8.290 nan 0.000 0.422 321 I N 2.641 123.188 120.570 -0.039 0.000 2.532 321 I HA 0.760 4.931 4.170 0.001 0.000 0.292 321 I C -1.230 174.979 176.117 0.153 0.000 1.014 321 I CA -0.629 60.685 61.300 0.023 0.000 1.340 321 I CB 0.804 38.782 38.000 -0.037 0.000 1.422 321 I HN 0.763 nan 8.210 nan 0.000 0.528 322 F N 2.953 122.880 119.950 -0.037 0.000 2.601 322 F HA 0.886 5.414 4.527 0.001 0.000 0.309 322 F C 0.160 176.026 175.800 0.110 0.000 1.089 322 F CA -0.328 57.684 58.000 0.020 0.000 0.940 322 F CB 0.831 39.786 39.000 -0.074 0.000 1.273 322 F HN 1.059 nan 8.300 nan 0.000 0.450 323 G N 0.722 109.677 108.800 0.258 0.000 2.914 323 G HA2 -0.187 3.774 3.960 0.001 0.000 0.254 323 G HA3 -0.187 3.774 3.960 0.001 0.000 0.254 323 G C -1.074 173.876 174.900 0.085 0.000 1.449 323 G CA -0.436 44.806 45.100 0.236 0.000 0.925 323 G HN 1.341 nan 8.290 nan 0.000 0.555 324 C N -0.212 119.120 119.300 0.053 0.000 2.317 324 C HA 0.433 4.894 4.460 0.001 0.000 0.306 324 C C 0.155 175.241 174.990 0.161 0.000 1.087 324 C CA -0.721 58.346 59.018 0.082 0.000 1.529 324 C CB -0.490 27.277 27.740 0.045 0.000 1.880 324 C HN 0.635 nan 8.230 nan 0.000 0.417 325 W N 4.689 126.027 121.300 0.063 0.000 2.356 325 W HA 0.397 5.058 4.660 0.001 0.000 0.311 325 W C 0.730 177.406 176.519 0.262 0.000 1.328 325 W CA 0.121 57.583 57.345 0.195 0.000 1.251 325 W CB 0.095 29.680 29.460 0.209 0.000 1.280 325 W HN 0.862 nan 8.180 nan 0.000 0.524 326 W N 4.195 125.487 121.300 -0.013 0.000 2.282 326 W HA -0.457 4.203 4.660 0.001 0.000 0.302 326 W C 1.375 177.699 176.519 -0.325 0.000 1.839 326 W CA 2.279 59.400 57.345 -0.373 0.000 1.996 326 W CB -2.166 26.585 29.460 -1.182 0.000 0.932 326 W HN 0.367 nan 8.180 nan 0.000 0.454 327 F N 0.812 120.736 119.950 -0.044 0.000 2.641 327 F HA -0.087 4.441 4.527 0.001 0.000 0.298 327 F C 2.375 178.145 175.800 -0.050 0.000 1.146 327 F CA 1.646 59.553 58.000 -0.155 0.000 1.464 327 F CB -0.808 37.959 39.000 -0.388 0.000 1.101 327 F HN -0.145 nan 8.300 nan 0.000 0.585 328 M N -1.268 118.411 119.600 0.132 0.000 2.509 328 M HA 0.063 4.544 4.480 0.001 0.000 0.250 328 M C 0.761 177.134 176.300 0.122 0.000 1.132 328 M CA 0.490 55.859 55.300 0.114 0.000 1.080 328 M CB -0.852 31.817 32.600 0.115 0.000 1.408 328 M HN -0.042 nan 8.290 nan 0.000 0.484 329 N N 2.766 121.560 118.700 0.157 0.000 3.115 329 N HA 0.046 4.786 4.740 0.001 0.000 0.305 329 N C -1.112 174.504 175.510 0.177 0.000 1.305 329 N CA 0.176 53.315 53.050 0.147 0.000 1.154 329 N CB -0.185 38.402 38.487 0.167 0.000 1.454 329 N HN 0.163 nan 8.380 nan 0.000 0.551 330 N N -0.128 118.657 118.700 0.142 0.000 2.258 330 N HA 0.243 4.983 4.740 0.001 0.000 0.299 330 N C -1.992 173.578 175.510 0.100 0.000 1.047 330 N CA -1.394 51.738 53.050 0.136 0.000 0.814 330 N CB 2.250 40.808 38.487 0.119 0.000 1.413 330 N HN -0.020 nan 8.380 nan 0.000 0.478 331 P HA -0.236 nan 4.420 nan 0.000 0.217 331 P C 1.167 178.498 177.300 0.053 0.000 1.158 331 P CA 1.599 64.742 63.100 0.071 0.000 0.887 331 P CB 0.526 32.257 31.700 0.051 0.000 0.792 332 E N -0.755 119.471 120.200 0.043 0.000 2.085 332 E HA -0.174 4.176 4.350 0.001 0.000 0.194 332 E C 1.824 178.442 176.600 0.030 0.000 0.994 332 E CA 1.366 57.784 56.400 0.030 0.000 0.801 332 E CB -0.832 28.881 29.700 0.021 0.000 0.743 332 E HN 0.074 nan 8.360 nan 0.000 0.453 333 I N 0.323 120.916 120.570 0.038 0.000 2.333 333 I HA -0.121 4.050 4.170 0.001 0.000 0.246 333 I C 2.392 178.532 176.117 0.039 0.000 1.106 333 I CA 0.754 62.075 61.300 0.035 0.000 1.411 333 I CB -0.979 37.047 38.000 0.043 0.000 1.082 333 I HN 0.181 nan 8.210 nan 0.000 0.420 334 I N 1.352 121.954 120.570 0.053 0.000 2.208 334 I HA -0.359 3.811 4.170 0.001 0.000 0.245 334 I C 2.390 178.537 176.117 0.051 0.000 1.097 334 I CA 1.775 63.109 61.300 0.056 0.000 1.363 334 I CB -0.516 37.525 38.000 0.068 0.000 1.051 334 I HN 0.315 nan 8.210 nan 0.000 0.413 335 N N 1.140 119.868 118.700 0.047 0.000 2.039 335 N HA -0.270 4.470 4.740 0.001 0.000 0.193 335 N C 1.872 177.397 175.510 0.024 0.000 1.044 335 N CA 2.008 55.082 53.050 0.041 0.000 0.847 335 N CB -0.179 38.330 38.487 0.036 0.000 1.030 335 N HN 0.506 nan 8.380 nan 0.000 0.422 336 E N -0.070 120.139 120.200 0.016 0.000 2.110 336 E HA -0.228 4.122 4.350 0.001 0.000 0.193 336 E C 2.060 178.654 176.600 -0.009 0.000 0.988 336 E CA 1.082 57.484 56.400 0.003 0.000 0.804 336 E CB -0.375 29.326 29.700 0.001 0.000 0.745 336 E HN 0.435 nan 8.360 nan 0.000 0.458 337 M N 0.958 120.554 119.600 -0.007 0.000 2.067 337 M HA -0.129 4.352 4.480 0.001 0.000 0.260 337 M C 2.430 178.686 176.300 -0.074 0.000 1.069 337 M CA 2.329 57.609 55.300 -0.034 0.000 1.117 337 M CB -0.413 32.180 32.600 -0.011 0.000 1.334 337 M HN 0.176 nan 8.290 nan 0.000 0.407 338 T N -0.057 114.487 114.554 -0.016 0.000 2.759 338 T HA -0.144 4.206 4.350 0.001 0.000 0.269 338 T C 1.812 176.491 174.700 -0.034 0.000 1.042 338 T CA 1.276 63.385 62.100 0.014 0.000 1.140 338 T CB -0.292 68.642 68.868 0.109 0.000 0.864 338 T HN 0.357 nan 8.240 nan 0.000 0.455 339 R N 0.321 120.807 120.500 -0.024 0.000 2.075 339 R HA 0.124 4.464 4.340 0.001 0.000 0.232 339 R C 2.644 178.901 176.300 -0.071 0.000 1.126 339 R CA 1.188 57.270 56.100 -0.030 0.000 0.963 339 R CB -0.290 30.004 30.300 -0.010 0.000 0.858 339 R HN 0.387 nan 8.270 nan 0.000 0.435 340 M N -0.172 119.379 119.600 -0.081 0.000 2.117 340 M HA -0.177 4.304 4.480 0.001 0.000 0.262 340 M C 2.254 178.439 176.300 -0.193 0.000 1.065 340 M CA 1.740 56.989 55.300 -0.084 0.000 1.114 340 M CB -0.260 32.318 32.600 -0.036 0.000 1.361 340 M HN 0.086 nan 8.290 nan 0.000 0.408 341 R N -0.054 120.244 120.500 -0.336 0.000 2.080 341 R HA -0.145 4.196 4.340 0.001 0.000 0.236 341 R C 2.237 178.216 176.300 -0.535 0.000 1.137 341 R CA 1.792 57.504 56.100 -0.646 0.000 0.943 341 R CB -0.412 29.119 30.300 -1.282 0.000 0.846 341 R HN 0.365 nan 8.270 nan 0.000 0.431 342 M N 0.747 120.161 119.600 -0.311 0.000 2.229 342 M HA -0.158 4.322 4.480 0.001 0.000 0.264 342 M C 1.469 177.732 176.300 -0.062 0.000 1.063 342 M CA 1.683 56.967 55.300 -0.027 0.000 1.114 342 M CB 0.156 32.800 32.600 0.074 0.000 1.387 342 M HN 0.106 nan 8.290 nan 0.000 0.420 343 E N -0.299 119.847 120.200 -0.090 0.000 2.150 343 E HA -0.139 4.212 4.350 0.001 0.000 0.193 343 E C 1.615 178.170 176.600 -0.075 0.000 0.985 343 E CA 1.235 57.593 56.400 -0.070 0.000 0.814 343 E CB 0.076 29.743 29.700 -0.054 0.000 0.752 343 E HN 0.584 nan 8.360 nan 0.000 0.466 344 M N -0.613 118.923 119.600 -0.107 0.000 2.367 344 M HA 0.156 4.637 4.480 0.001 0.000 0.256 344 M C 1.014 177.255 176.300 -0.099 0.000 1.091 344 M CA 0.264 55.501 55.300 -0.105 0.000 1.049 344 M CB 0.946 33.465 32.600 -0.135 0.000 1.406 344 M HN 0.037 nan 8.290 nan 0.000 0.498 345 L N -1.409 119.757 121.223 -0.096 0.000 3.086 345 L HA 0.417 4.758 4.340 0.001 0.000 0.274 345 L C 1.276 178.177 176.870 0.051 0.000 1.184 345 L CA 0.005 54.827 54.840 -0.030 0.000 1.002 345 L CB 0.320 42.352 42.059 -0.044 0.000 1.383 345 L HN 0.436 nan 8.230 nan 0.000 0.582 346 G N 1.990 110.810 108.800 0.032 0.000 2.565 346 G HA2 -0.426 3.535 3.960 0.001 0.000 0.295 346 G HA3 -0.426 3.535 3.960 0.001 0.000 0.295 346 G C 0.734 175.717 174.900 0.139 0.000 1.165 346 G CA 0.817 45.941 45.100 0.039 0.000 0.977 346 G HN 0.315 nan 8.290 nan 0.000 0.546 347 T N -2.111 112.491 114.554 0.080 0.000 3.129 347 T HA 0.508 4.858 4.350 0.001 0.000 0.267 347 T C 1.306 176.003 174.700 -0.005 0.000 1.018 347 T CA 1.146 63.254 62.100 0.012 0.000 0.903 347 T CB 0.167 69.010 68.868 -0.042 0.000 1.067 347 T HN 1.633 nan 8.240 nan 0.000 0.549 348 S N 1.665 117.439 115.700 0.123 0.000 3.324 348 S HA 0.549 5.019 4.470 0.001 0.000 0.229 348 S C -0.125 174.580 174.600 0.175 0.000 1.417 348 S CA -1.091 57.166 58.200 0.095 0.000 1.211 348 S CB -1.515 61.731 63.200 0.077 0.000 1.157 348 S HN 0.678 nan 8.310 nan 0.000 0.491 349 F N -2.110 117.800 119.950 -0.067 0.000 2.779 349 F HA 0.689 5.217 4.527 0.001 0.000 0.316 349 F C -1.635 174.126 175.800 -0.064 0.000 1.164 349 F CA -1.764 56.190 58.000 -0.077 0.000 0.924 349 F CB 0.811 39.767 39.000 -0.073 0.000 1.348 349 F HN -0.057 nan 8.300 nan 0.000 0.467 350 I N 3.264 123.813 120.570 -0.036 0.000 2.371 350 I HA 0.274 4.445 4.170 0.001 0.000 0.282 350 I C -1.612 174.523 176.117 0.029 0.000 1.031 350 I CA -2.002 59.226 61.300 -0.121 0.000 1.180 350 I CB 1.666 39.697 38.000 0.052 0.000 1.336 350 I HN 0.454 nan 8.210 nan 0.000 0.467 351 P HA -0.191 nan 4.420 nan 0.000 0.215 351 P C 0.354 177.732 177.300 0.129 0.000 1.157 351 P CA 1.533 64.685 63.100 0.088 0.000 0.874 351 P CB 0.494 32.091 31.700 -0.172 0.000 0.790 352 Q N -1.562 118.310 119.800 0.120 0.000 2.534 352 Q HA 0.374 4.714 4.340 0.001 0.000 0.290 352 Q C -1.117 175.054 176.000 0.286 0.000 0.991 352 Q CA -0.805 55.071 55.803 0.122 0.000 0.783 352 Q CB 1.397 30.114 28.738 -0.036 0.000 1.470 352 Q HN 0.309 nan 8.270 nan 0.000 0.406 353 H N -1.021 118.083 119.070 0.056 0.000 3.012 353 H HA 0.454 5.011 4.556 0.001 0.000 0.367 353 H C -0.597 174.628 175.328 -0.172 0.000 1.211 353 H CA -0.118 56.003 56.048 0.123 0.000 1.139 353 H CB 1.505 31.412 29.762 0.242 0.000 1.838 353 H HN 0.692 nan 8.280 nan 0.000 0.550 354 S N 0.141 115.751 115.700 -0.150 0.000 2.439 354 S HA -0.090 4.380 4.470 0.001 0.000 0.224 354 S C 0.630 175.137 174.600 -0.156 0.000 1.029 354 S CA 0.902 58.874 58.200 -0.381 0.000 0.946 354 S CB -0.256 62.746 63.200 -0.330 0.000 0.797 354 S HN 0.789 nan 8.310 nan 0.000 0.504 355 D N 1.102 121.556 120.400 0.090 0.000 3.012 355 D HA -0.148 4.493 4.640 0.001 0.000 0.222 355 D C 0.162 176.484 176.300 0.037 0.000 1.167 355 D CA 0.850 54.925 54.000 0.124 0.000 0.854 355 D CB -1.504 39.508 40.800 0.354 0.000 1.107 355 D HN 0.767 nan 8.370 nan 0.000 0.421 356 A N 0.211 122.978 122.820 -0.089 0.000 2.546 356 A HA 0.184 4.505 4.320 0.001 0.000 0.243 356 A C 1.384 178.945 177.584 -0.038 0.000 1.063 356 A CA 0.604 52.559 52.037 -0.138 0.000 0.757 356 A CB 0.386 19.305 19.000 -0.136 0.000 0.991 356 A HN 0.347 nan 8.150 nan 0.000 0.503 357 R N 1.164 121.620 120.500 -0.074 0.000 2.279 357 R HA 0.221 4.561 4.340 0.001 0.000 0.195 357 R C -0.712 175.596 176.300 0.013 0.000 0.905 357 R CA 0.347 56.471 56.100 0.040 0.000 1.044 357 R CB 0.683 31.056 30.300 0.123 0.000 1.056 357 R HN 0.526 nan 8.270 nan 0.000 0.535 358 V N 1.670 121.529 119.914 -0.093 0.000 2.483 358 V HA 0.043 4.163 4.120 0.001 0.000 0.297 358 V C 0.800 176.893 176.094 -0.001 0.000 1.027 358 V CA -0.477 61.807 62.300 -0.026 0.000 0.855 358 V CB 1.834 33.600 31.823 -0.095 0.000 0.995 358 V HN 0.064 nan 8.190 nan 0.000 0.424 359 L N 4.661 125.948 121.223 0.107 0.000 2.011 359 L HA -0.239 4.101 4.340 0.001 0.000 0.225 359 L C 2.240 179.164 176.870 0.089 0.000 1.084 359 L CA 2.474 57.385 54.840 0.119 0.000 0.791 359 L CB -0.382 41.784 42.059 0.178 0.000 0.898 359 L HN 0.814 nan 8.230 nan 0.000 0.440 360 E N -0.501 119.777 120.200 0.129 0.000 2.209 360 E HA -0.255 4.096 4.350 0.001 0.000 0.196 360 E C 2.141 178.775 176.600 0.057 0.000 0.993 360 E CA 1.370 57.849 56.400 0.131 0.000 0.819 360 E CB -0.341 29.476 29.700 0.196 0.000 0.745 360 E HN 0.671 nan 8.360 nan 0.000 0.477 361 Q N 0.012 119.794 119.800 -0.030 0.000 2.308 361 Q HA -0.176 4.165 4.340 0.001 0.000 0.209 361 Q C 2.002 177.831 176.000 -0.285 0.000 0.985 361 Q CA 0.856 56.548 55.803 -0.184 0.000 0.881 361 Q CB -0.286 28.230 28.738 -0.370 0.000 0.917 361 Q HN 0.381 nan 8.270 nan 0.000 0.443 362 L N 0.177 121.343 121.223 -0.095 0.000 2.127 362 L HA -0.228 4.112 4.340 0.001 0.000 0.211 362 L C 2.197 179.116 176.870 0.082 0.000 1.089 362 L CA 0.964 55.826 54.840 0.037 0.000 0.757 362 L CB -0.454 41.679 42.059 0.124 0.000 0.899 362 L HN 0.303 nan 8.230 nan 0.000 0.434 363 I N -0.760 119.841 120.570 0.051 0.000 2.113 363 I HA -0.348 3.822 4.170 0.001 0.000 0.238 363 I C 2.677 178.844 176.117 0.083 0.000 1.070 363 I CA 1.828 63.186 61.300 0.097 0.000 1.332 363 I CB -0.572 37.486 38.000 0.096 0.000 1.044 363 I HN 0.270 nan 8.210 nan 0.000 0.402 364 Y N 1.648 121.878 120.300 -0.115 0.000 2.220 364 Y HA -0.085 4.466 4.550 0.001 0.000 0.291 364 Y C 2.320 177.930 175.900 -0.482 0.000 1.129 364 Y CA 0.882 58.758 58.100 -0.375 0.000 1.161 364 Y CB -0.712 37.474 38.460 -0.458 0.000 0.997 364 Y HN -0.113 nan 8.280 nan 0.000 0.522 365 K N 0.372 120.198 120.400 -0.957 0.000 2.020 365 K HA -0.227 4.093 4.320 0.001 0.000 0.212 365 K C 1.803 178.068 176.600 -0.559 0.000 1.050 365 K CA 2.250 58.004 56.287 -0.889 0.000 0.929 365 K CB -1.113 30.807 32.500 -0.967 0.000 0.714 365 K HN 0.570 nan 8.250 nan 0.000 0.443 366 W N 0.253 121.481 121.300 -0.120 0.000 2.476 366 W HA -0.071 4.590 4.660 0.001 0.000 0.281 366 W C 2.413 178.963 176.519 0.052 0.000 1.230 366 W CA 0.599 57.935 57.345 -0.016 0.000 1.287 366 W CB -0.359 29.073 29.460 -0.047 0.000 1.108 366 W HN 0.339 nan 8.180 nan 0.000 0.567 367 H N -0.379 118.793 119.070 0.169 0.000 2.326 367 H HA -0.147 4.410 4.556 0.001 0.000 0.301 367 H C 1.811 177.306 175.328 0.278 0.000 1.081 367 H CA 2.313 58.481 56.048 0.200 0.000 1.334 367 H CB -0.515 29.364 29.762 0.195 0.000 1.385 367 H HN 0.302 nan 8.280 nan 0.000 0.504 368 H N -0.637 118.633 119.070 0.334 0.000 2.353 368 H HA -0.065 4.492 4.556 0.001 0.000 0.300 368 H C 2.549 177.960 175.328 0.139 0.000 1.090 368 H CA 0.974 57.172 56.048 0.250 0.000 1.327 368 H CB 0.390 30.299 29.762 0.244 0.000 1.383 368 H HN 0.266 nan 8.280 nan 0.000 0.508 369 S N 0.565 116.394 115.700 0.215 0.000 2.371 369 S HA -0.093 4.378 4.470 0.001 0.000 0.224 369 S C 1.930 176.671 174.600 0.235 0.000 1.029 369 S CA 0.881 59.172 58.200 0.153 0.000 0.978 369 S CB 0.001 63.200 63.200 -0.001 0.000 0.833 369 S HN 0.339 nan 8.310 nan 0.000 0.466 370 K N 1.537 122.097 120.400 0.268 0.000 2.063 370 K HA -0.112 4.209 4.320 0.001 0.000 0.208 370 K C 2.591 179.283 176.600 0.154 0.000 1.048 370 K CA 1.634 58.072 56.287 0.252 0.000 0.928 370 K CB -0.337 32.214 32.500 0.084 0.000 0.713 370 K HN 0.479 nan 8.250 nan 0.000 0.442 371 S N 1.056 116.802 115.700 0.077 0.000 2.383 371 S HA -0.151 4.320 4.470 0.001 0.000 0.229 371 S C 2.005 176.663 174.600 0.097 0.000 1.030 371 S CA 1.095 59.328 58.200 0.056 0.000 1.002 371 S CB -0.536 62.688 63.200 0.040 0.000 0.829 371 S HN 0.218 nan 8.310 nan 0.000 0.467 372 I N 1.113 121.756 120.570 0.121 0.000 2.286 372 I HA -0.049 4.122 4.170 0.001 0.000 0.245 372 I C 2.379 178.571 176.117 0.124 0.000 1.104 372 I CA 1.100 62.466 61.300 0.111 0.000 1.397 372 I CB -0.350 37.715 38.000 0.108 0.000 1.072 372 I HN 0.274 nan 8.210 nan 0.000 0.417 373 I N 0.920 121.591 120.570 0.168 0.000 2.286 373 I HA -0.266 3.905 4.170 0.001 0.000 0.248 373 I C 2.798 179.020 176.117 0.174 0.000 1.115 373 I CA 1.241 62.650 61.300 0.181 0.000 1.392 373 I CB -0.427 37.736 38.000 0.272 0.000 1.065 373 I HN 0.171 nan 8.210 nan 0.000 0.418 374 A N 0.705 123.634 122.820 0.181 0.000 1.877 374 A HA -0.222 4.099 4.320 0.001 0.000 0.216 374 A C 2.195 179.857 177.584 0.130 0.000 1.186 374 A CA 1.682 53.815 52.037 0.160 0.000 0.620 374 A CB -0.586 18.489 19.000 0.124 0.000 0.822 374 A HN 0.445 nan 8.150 nan 0.000 0.443 375 E N -0.263 120.000 120.200 0.105 0.000 2.058 375 E HA -0.152 4.199 4.350 0.001 0.000 0.194 375 E C 1.965 178.613 176.600 0.080 0.000 0.997 375 E CA 1.440 57.892 56.400 0.086 0.000 0.801 375 E CB -0.385 29.358 29.700 0.071 0.000 0.746 375 E HN 0.401 nan 8.360 nan 0.000 0.450 376 V N 1.563 121.524 119.914 0.078 0.000 2.343 376 V HA -0.257 3.864 4.120 0.001 0.000 0.247 376 V C 2.333 178.447 176.094 0.034 0.000 1.051 376 V CA 1.496 63.829 62.300 0.055 0.000 1.036 376 V CB -0.487 31.373 31.823 0.062 0.000 0.654 376 V HN 0.248 nan 8.190 nan 0.000 0.451 377 L N -0.700 120.557 121.223 0.056 0.000 2.017 377 L HA -0.183 4.157 4.340 0.001 0.000 0.208 377 L C 2.394 179.337 176.870 0.122 0.000 1.073 377 L CA 1.713 56.561 54.840 0.014 0.000 0.745 377 L CB -0.517 41.631 42.059 0.149 0.000 0.894 377 L HN 0.254 nan 8.230 nan 0.000 0.432 378 I N -0.171 120.513 120.570 0.190 0.000 2.163 378 I HA -0.338 3.833 4.170 0.001 0.000 0.243 378 I C 2.172 178.380 176.117 0.152 0.000 1.085 378 I CA 1.358 62.783 61.300 0.208 0.000 1.347 378 I CB -0.468 37.616 38.000 0.141 0.000 1.044 378 I HN 0.308 nan 8.210 nan 0.000 0.408 379 D N 0.885 121.338 120.400 0.089 0.000 2.097 379 D HA -0.168 4.472 4.640 0.001 0.000 0.195 379 D C 2.185 178.511 176.300 0.043 0.000 0.989 379 D CA 1.327 55.364 54.000 0.061 0.000 0.827 379 D CB -0.156 40.667 40.800 0.038 0.000 0.966 379 D HN 0.129 nan 8.370 nan 0.000 0.456 380 K N -0.162 120.233 120.400 -0.009 0.000 2.097 380 K HA -0.094 4.226 4.320 0.001 0.000 0.205 380 K C 2.063 178.642 176.600 -0.035 0.000 1.050 380 K CA 0.700 56.945 56.287 -0.070 0.000 0.938 380 K CB -0.552 31.846 32.500 -0.170 0.000 0.718 380 K HN 0.217 nan 8.250 nan 0.000 0.442 381 Y N 0.729 121.056 120.300 0.045 0.000 2.200 381 Y HA -0.171 4.380 4.550 0.001 0.000 0.290 381 Y C 2.084 178.025 175.900 0.069 0.000 1.137 381 Y CA 1.433 59.571 58.100 0.062 0.000 1.163 381 Y CB -0.671 37.834 38.460 0.075 0.000 0.988 381 Y HN 0.176 nan 8.280 nan 0.000 0.518 382 D N -0.321 120.215 120.400 0.226 0.000 2.178 382 D HA -0.167 4.473 4.640 0.001 0.000 0.201 382 D C 1.504 177.872 176.300 0.113 0.000 0.980 382 D CA 1.432 55.521 54.000 0.148 0.000 0.842 382 D CB -0.087 40.779 40.800 0.110 0.000 0.948 382 D HN 0.169 nan 8.370 nan 0.000 0.472 383 D N -0.471 119.983 120.400 0.090 0.000 2.144 383 D HA -0.083 4.558 4.640 0.001 0.000 0.200 383 D C 2.131 178.473 176.300 0.071 0.000 0.978 383 D CA 0.843 54.879 54.000 0.060 0.000 0.833 383 D CB -0.201 40.615 40.800 0.027 0.000 0.961 383 D HN 0.561 nan 8.370 nan 0.000 0.470 384 I N -2.077 118.548 120.570 0.090 0.000 2.876 384 I HA -0.017 4.154 4.170 0.001 0.000 0.264 384 I C 2.025 178.266 176.117 0.206 0.000 1.204 384 I CA 0.289 61.653 61.300 0.108 0.000 1.485 384 I CB -0.157 37.858 38.000 0.024 0.000 1.103 384 I HN -0.142 nan 8.210 nan 0.000 0.446 385 L N 1.256 122.600 121.223 0.202 0.000 2.046 385 L HA -0.150 4.191 4.340 0.001 0.000 0.208 385 L C 2.582 179.532 176.870 0.134 0.000 1.077 385 L CA 1.828 56.780 54.840 0.186 0.000 0.747 385 L CB -0.698 41.451 42.059 0.150 0.000 0.896 385 L HN 0.252 nan 8.230 nan 0.000 0.432 386 Q N -0.857 119.008 119.800 0.108 0.000 2.369 386 Q HA 0.051 4.392 4.340 0.001 0.000 0.206 386 Q C 2.020 178.068 176.000 0.082 0.000 0.963 386 Q CA 1.135 56.986 55.803 0.080 0.000 0.894 386 Q CB -0.457 28.318 28.738 0.063 0.000 0.965 386 Q HN 0.576 nan 8.270 nan 0.000 0.475 387 A N -0.634 122.247 122.820 0.103 0.000 2.251 387 A HA 0.404 4.724 4.320 0.001 0.000 0.209 387 A C 1.483 179.144 177.584 0.129 0.000 1.187 387 A CA 0.999 53.098 52.037 0.102 0.000 0.823 387 A CB -0.030 19.029 19.000 0.099 0.000 0.846 387 A HN 0.389 nan 8.150 nan 0.000 0.486 388 G N -2.367 106.515 108.800 0.138 0.000 2.238 388 G HA2 -0.243 3.718 3.960 0.001 0.000 0.217 388 G HA3 -0.243 3.718 3.960 0.001 0.000 0.217 388 G C 0.127 175.120 174.900 0.154 0.000 0.996 388 G CA -0.034 45.139 45.100 0.120 0.000 0.632 388 G HN 0.608 nan 8.290 nan 0.000 0.503 389 W N 2.780 124.101 121.300 0.034 0.000 2.210 389 W HA 0.523 5.184 4.660 0.001 0.000 0.330 389 W C -0.245 176.297 176.519 0.038 0.000 1.334 389 W CA 0.568 57.936 57.345 0.039 0.000 1.227 389 W CB 0.406 29.898 29.460 0.053 0.000 1.178 389 W HN 0.285 nan 8.180 nan 0.000 0.560 390 E N 3.670 123.632 120.200 -0.397 0.000 2.166 390 E HA 0.292 4.643 4.350 0.001 0.000 0.275 390 E C -1.026 175.450 176.600 -0.206 0.000 0.941 390 E CA -0.734 55.535 56.400 -0.217 0.000 0.784 390 E CB 2.774 32.333 29.700 -0.235 0.000 1.115 390 E HN 0.188 nan 8.360 nan 0.000 0.399 391 V N 3.056 122.985 119.914 0.025 0.000 2.513 391 V HA 0.411 4.532 4.120 0.001 0.000 0.299 391 V C -0.137 175.940 176.094 -0.029 0.000 1.035 391 V CA -0.292 62.053 62.300 0.076 0.000 0.889 391 V CB 1.855 33.740 31.823 0.103 0.000 0.988 391 V HN 0.876 nan 8.190 nan 0.000 0.440 392 T N 1.564 116.107 114.554 -0.020 0.000 2.918 392 T HA 0.364 4.714 4.350 0.001 0.000 0.283 392 T C 0.901 175.572 174.700 -0.049 0.000 1.001 392 T CA 0.146 62.224 62.100 -0.037 0.000 1.041 392 T CB 1.418 70.273 68.868 -0.022 0.000 1.028 392 T HN 0.807 nan 8.240 nan 0.000 0.511 393 E N 0.048 120.220 120.200 -0.046 0.000 2.153 393 E HA -0.175 4.176 4.350 0.001 0.000 0.194 393 E C 1.771 178.358 176.600 -0.021 0.000 0.988 393 E CA 1.004 57.377 56.400 -0.046 0.000 0.811 393 E CB 0.094 29.775 29.700 -0.033 0.000 0.746 393 E HN 0.652 nan 8.360 nan 0.000 0.466 394 E N 0.685 120.882 120.200 -0.006 0.000 2.077 394 E HA -0.197 4.154 4.350 0.001 0.000 0.193 394 E C 1.891 178.511 176.600 0.035 0.000 0.989 394 E CA 1.084 57.492 56.400 0.014 0.000 0.800 394 E CB -0.179 29.530 29.700 0.015 0.000 0.746 394 E HN 0.451 nan 8.360 nan 0.000 0.452 395 E N 0.452 120.677 120.200 0.043 0.000 2.153 395 E HA -0.112 4.239 4.350 0.001 0.000 0.194 395 E C 2.257 178.917 176.600 0.099 0.000 0.988 395 E CA 0.535 56.988 56.400 0.088 0.000 0.811 395 E CB -0.114 29.662 29.700 0.127 0.000 0.746 395 E HN 0.259 nan 8.360 nan 0.000 0.466 396 I N 1.124 121.710 120.570 0.026 0.000 2.202 396 I HA -0.253 3.917 4.170 0.001 0.000 0.242 396 I C 2.376 178.552 176.117 0.097 0.000 1.091 396 I CA 1.153 62.469 61.300 0.025 0.000 1.368 396 I CB -0.123 37.797 38.000 -0.132 0.000 1.058 396 I HN 0.009 nan 8.210 nan 0.000 0.410 397 K N 0.288 120.723 120.400 0.059 0.000 2.147 397 K HA -0.199 4.122 4.320 0.001 0.000 0.205 397 K C 2.254 178.905 176.600 0.084 0.000 1.049 397 K CA 1.000 57.326 56.287 0.066 0.000 0.936 397 K CB -0.122 32.401 32.500 0.037 0.000 0.722 397 K HN 0.219 nan 8.250 nan 0.000 0.446 398 R N 1.309 121.860 120.500 0.084 0.000 2.070 398 R HA -0.174 4.167 4.340 0.001 0.000 0.232 398 R C 1.386 177.746 176.300 0.101 0.000 1.138 398 R CA 2.174 58.326 56.100 0.086 0.000 0.936 398 R CB -0.236 30.115 30.300 0.085 0.000 0.839 398 R HN 0.116 nan 8.270 nan 0.000 0.429 399 D N 0.244 120.722 120.400 0.129 0.000 2.116 399 D HA -0.156 4.484 4.640 0.001 0.000 0.193 399 D C 2.020 178.386 176.300 0.110 0.000 0.998 399 D CA 1.474 55.549 54.000 0.126 0.000 0.836 399 D CB -0.338 40.587 40.800 0.208 0.000 0.951 399 D HN 0.154 nan 8.370 nan 0.000 0.449 400 V N 1.492 121.506 119.914 0.167 0.000 2.407 400 V HA -0.234 3.887 4.120 0.001 0.000 0.248 400 V C 2.547 178.780 176.094 0.231 0.000 1.055 400 V CA 1.695 64.133 62.300 0.231 0.000 1.049 400 V CB -0.776 31.193 31.823 0.244 0.000 0.662 400 V HN 0.194 nan 8.190 nan 0.000 0.455 401 A N -0.148 122.761 122.820 0.150 0.000 1.902 401 A HA -0.236 4.084 4.320 0.001 0.000 0.217 401 A C 2.030 179.679 177.584 0.108 0.000 1.181 401 A CA 1.940 54.054 52.037 0.129 0.000 0.623 401 A CB -0.568 18.490 19.000 0.096 0.000 0.818 401 A HN 0.525 nan 8.150 nan 0.000 0.443 402 D N 0.131 120.570 120.400 0.066 0.000 2.097 402 D HA -0.115 4.525 4.640 0.001 0.000 0.195 402 D C 1.981 178.245 176.300 -0.060 0.000 0.989 402 D CA 1.163 55.176 54.000 0.021 0.000 0.827 402 D CB -0.348 40.453 40.800 0.002 0.000 0.966 402 D HN 0.457 nan 8.370 nan 0.000 0.456 403 L N -0.677 120.459 121.223 -0.146 0.000 2.056 403 L HA -0.118 4.223 4.340 0.001 0.000 0.207 403 L C 1.981 178.614 176.870 -0.394 0.000 1.078 403 L CA 0.871 55.478 54.840 -0.388 0.000 0.749 403 L CB -0.284 41.439 42.059 -0.560 0.000 0.901 403 L HN -0.046 nan 8.230 nan 0.000 0.433 404 F N -2.148 117.765 119.950 -0.061 0.000 2.765 404 F HA 0.062 4.590 4.527 0.001 0.000 0.302 404 F C 1.973 177.717 175.800 -0.094 0.000 1.111 404 F CA 0.510 58.462 58.000 -0.081 0.000 1.359 404 F CB 0.508 39.445 39.000 -0.105 0.000 1.097 404 F HN -0.012 nan 8.300 nan 0.000 0.577 405 S N -1.320 114.447 115.700 0.113 0.000 4.026 405 S HA 0.084 4.554 4.470 0.001 0.000 0.198 405 S C 1.759 176.497 174.600 0.230 0.000 1.069 405 S CA -0.182 58.107 58.200 0.148 0.000 1.200 405 S CB -0.334 62.994 63.200 0.214 0.000 1.385 405 S HN 0.071 nan 8.310 nan 0.000 0.449 406 R N 1.662 122.286 120.500 0.206 0.000 2.081 406 R HA 0.073 4.414 4.340 0.001 0.000 0.235 406 R C 1.701 178.100 176.300 0.164 0.000 1.131 406 R CA 1.749 57.978 56.100 0.216 0.000 0.960 406 R CB -0.409 29.978 30.300 0.145 0.000 0.856 406 R HN 0.416 nan 8.270 nan 0.000 0.436 407 N N 0.520 119.273 118.700 0.088 0.000 2.149 407 N HA -0.191 4.550 4.740 0.001 0.000 0.188 407 N C 1.503 177.067 175.510 0.090 0.000 1.019 407 N CA 1.144 54.231 53.050 0.062 0.000 0.857 407 N CB -0.313 38.162 38.487 -0.021 0.000 0.997 407 N HN 0.137 nan 8.380 nan 0.000 0.426 408 F N 0.158 120.041 119.950 -0.111 0.000 2.084 408 F HA -0.097 4.431 4.527 0.001 0.000 0.296 408 F C 1.984 177.689 175.800 -0.159 0.000 1.111 408 F CA 1.301 59.165 58.000 -0.225 0.000 1.224 408 F CB -0.657 38.049 39.000 -0.491 0.000 0.991 408 F HN 0.005 nan 8.300 nan 0.000 0.471 409 W N 0.716 122.001 121.300 -0.026 0.000 2.363 409 W HA -0.102 4.558 4.660 0.001 0.000 0.296 409 W C 2.600 179.049 176.519 -0.117 0.000 1.212 409 W CA 1.030 58.292 57.345 -0.137 0.000 1.260 409 W CB -0.379 29.088 29.460 0.012 0.000 1.131 409 W HN -0.119 nan 8.180 nan 0.000 0.530 410 R N -0.963 119.644 120.500 0.178 0.000 2.092 410 R HA -0.146 4.194 4.340 0.001 0.000 0.231 410 R C 2.088 178.435 176.300 0.078 0.000 1.119 410 R CA 1.537 57.709 56.100 0.120 0.000 0.970 410 R CB -0.920 29.456 30.300 0.125 0.000 0.864 410 R HN 0.137 nan 8.270 nan 0.000 0.440 411 F N 1.358 121.243 119.950 -0.109 0.000 2.113 411 F HA -0.182 4.345 4.527 0.001 0.000 0.297 411 F C 2.135 177.825 175.800 -0.182 0.000 1.103 411 F CA 1.445 59.363 58.000 -0.137 0.000 1.248 411 F CB -0.307 38.597 39.000 -0.159 0.000 0.999 411 F HN -0.187 nan 8.300 nan 0.000 0.475 412 V N -1.330 118.415 119.914 -0.281 0.000 2.913 412 V HA 0.209 4.330 4.120 0.001 0.000 0.260 412 V C 1.411 177.402 176.094 -0.172 0.000 1.098 412 V CA 0.697 62.811 62.300 -0.309 0.000 1.121 412 V CB -1.550 30.036 31.823 -0.395 0.000 0.714 412 V HN 0.753 nan 8.190 nan 0.000 0.487 413 G N 0.383 109.123 108.800 -0.100 0.000 2.470 413 G HA2 -0.228 3.732 3.960 0.001 0.000 0.286 413 G HA3 -0.228 3.732 3.960 0.001 0.000 0.286 413 G C -0.139 174.772 174.900 0.018 0.000 1.115 413 G CA 0.447 45.522 45.100 -0.043 0.000 1.122 413 G HN 0.937 nan 8.290 nan 0.000 0.522 414 R N 0.000 120.550 120.500 0.083 0.000 2.786 414 R HA 0.000 4.341 4.340 0.001 0.000 0.208 414 R CA 0.000 56.145 56.100 0.075 0.000 0.921 414 R CB 0.000 30.406 30.300 0.176 0.000 0.687 414 R HN 0.000 nan 8.270 nan 0.000 0.535