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 1rr2_1_A DATA FIRST_RESID 3 DATA SEQUENCE PREIEVSEPR EVGITELVLR DAHQSLMATR MAMEDMVGAC ADIDAAGYWS DATA SEQUENCE VECWGGATYD SCIRFLNEDP WERLRTFRKL MPNSRLQMLL RGQNLLGYRH DATA SEQUENCE YNDEVVDRFV DKSAENGMDV FRVFDAMNDP RNMAHAMAAV KKAGKHAQGT DATA SEQUENCE ICYTISPVHT VEGYVKLAGQ LLDMGADSIA LKDMAALLKP QPAYDIIKAI DATA SEQUENCE KDTYGQKTQI NLHCHSTTGV TEVSLMKAIE AGVDVVDTAI SSMSLGPGHN DATA SEQUENCE PTESVAEMLE GTGYTTNLDY DRLHKIRDHF KAIRPKYKKF ESKTLVDTSI DATA SEQUENCE FKSQIPGGML SNMESQLRAQ GAEDKMDEVM AEVPRVRKAA GFPPLVTPSS DATA SEQUENCE QIVGTQAVFN VMMGEYKRMT GEFADIMLGY YGASPADRDP KVVKLAEEQS DATA SEQUENCE GKKPITQRPA DLLPPEWEKQ SKEAATLKGF NGTDEDVLTY ALFPQVAPVF DATA SEQUENCE FEHRAEGPHS VALTDAQLKA EA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.295 177.300 -0.008 0.000 1.155 3 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 3 P CB 0.000 31.697 31.700 -0.004 0.000 0.726 4 R N 2.268 122.762 120.500 -0.011 0.000 2.484 4 R HA 0.304 4.644 4.340 -0.000 0.000 0.293 4 R C -0.251 176.038 176.300 -0.018 0.000 1.023 4 R CA 0.679 56.769 56.100 -0.016 0.000 1.037 4 R CB 0.608 30.896 30.300 -0.020 0.000 0.951 4 R HN 0.355 nan 8.270 nan 0.000 0.418 5 E N 3.999 124.188 120.200 -0.019 0.000 2.429 5 E HA 0.410 4.760 4.350 -0.000 0.000 0.276 5 E C -0.902 175.681 176.600 -0.028 0.000 0.953 5 E CA -0.943 55.447 56.400 -0.018 0.000 0.787 5 E CB 2.166 31.863 29.700 -0.005 0.000 1.307 5 E HN 0.441 nan 8.360 nan 0.000 0.458 6 I N 1.321 121.873 120.570 -0.029 0.000 2.499 6 I HA 0.180 4.350 4.170 -0.000 0.000 0.288 6 I C -0.324 175.808 176.117 0.025 0.000 1.048 6 I CA -0.604 60.667 61.300 -0.049 0.000 1.062 6 I CB 2.076 39.993 38.000 -0.138 0.000 1.238 6 I HN 0.486 nan 8.210 nan 0.000 0.426 7 E N 6.309 126.563 120.200 0.090 0.000 2.316 7 E HA 0.406 4.756 4.350 -0.000 0.000 0.275 7 E C -1.044 175.683 176.600 0.212 0.000 1.029 7 E CA -0.478 56.001 56.400 0.133 0.000 0.871 7 E CB 1.197 30.977 29.700 0.133 0.000 1.022 7 E HN 0.455 nan 8.360 nan 0.000 0.418 8 V N 1.308 121.324 119.914 0.170 0.000 2.960 8 V HA 0.573 4.693 4.120 -0.000 0.000 0.315 8 V C -0.010 176.199 176.094 0.192 0.000 1.087 8 V CA -0.811 61.625 62.300 0.226 0.000 0.982 8 V CB 1.446 33.415 31.823 0.242 0.000 1.039 8 V HN 0.766 nan 8.190 nan 0.000 0.437 9 S N 1.724 117.561 115.700 0.228 0.000 2.584 9 S HA 0.256 4.726 4.470 -0.000 0.000 0.270 9 S C 0.203 174.938 174.600 0.226 0.000 1.346 9 S CA -0.295 58.021 58.200 0.193 0.000 1.018 9 S CB 0.389 63.684 63.200 0.157 0.000 0.899 9 S HN 1.220 nan 8.310 nan 0.000 0.542 10 E N 0.427 120.706 120.200 0.131 0.000 2.408 10 E HA 0.225 4.574 4.350 -0.000 0.000 0.259 10 E C -2.769 173.866 176.600 0.058 0.000 1.110 10 E CA -2.069 54.367 56.400 0.060 0.000 0.929 10 E CB -1.213 28.512 29.700 0.040 0.000 0.971 10 E HN 0.328 nan 8.360 nan 0.000 0.438 11 P HA 0.010 nan 4.420 nan 0.000 0.264 11 P C -0.443 176.878 177.300 0.035 0.000 1.183 11 P CA 0.760 63.785 63.100 -0.127 0.000 0.763 11 P CB 0.307 31.935 31.700 -0.121 0.000 0.807 12 R N 0.540 121.115 120.500 0.125 0.000 2.774 12 R HA 0.382 4.722 4.340 -0.000 0.000 0.279 12 R C -1.395 174.994 176.300 0.149 0.000 1.022 12 R CA -1.029 55.149 56.100 0.129 0.000 0.855 12 R CB 0.851 31.233 30.300 0.137 0.000 1.279 12 R HN 0.280 nan 8.270 nan 0.000 0.485 13 E N 1.312 121.568 120.200 0.092 0.000 2.259 13 E HA 0.350 4.700 4.350 -0.000 0.000 0.281 13 E C -1.009 175.622 176.600 0.051 0.000 1.027 13 E CA -0.759 55.685 56.400 0.074 0.000 0.838 13 E CB 1.635 31.367 29.700 0.054 0.000 1.066 13 E HN 0.343 nan 8.360 nan 0.000 0.401 14 V N 3.841 123.778 119.914 0.038 0.000 2.435 14 V HA 0.420 4.539 4.120 -0.000 0.000 0.290 14 V C 0.713 176.805 176.094 -0.003 0.000 1.030 14 V CA -0.558 61.734 62.300 -0.013 0.000 0.881 14 V CB 1.534 33.333 31.823 -0.040 0.000 0.983 14 V HN 0.805 nan 8.190 nan 0.000 0.445 15 G N 4.774 113.555 108.800 -0.033 0.000 2.476 15 G HA2 0.572 4.532 3.960 -0.000 0.000 0.269 15 G HA3 0.572 4.532 3.960 -0.000 0.000 0.269 15 G C -0.685 174.246 174.900 0.052 0.000 1.195 15 G CA -0.347 44.772 45.100 0.031 0.000 0.843 15 G HN 0.449 nan 8.290 nan 0.000 0.545 16 I N 0.666 121.333 120.570 0.161 0.000 2.498 16 I HA 0.304 4.473 4.170 -0.000 0.000 0.290 16 I C -0.121 176.133 176.117 0.229 0.000 1.032 16 I CA -0.449 60.950 61.300 0.164 0.000 1.073 16 I CB 1.883 40.005 38.000 0.204 0.000 1.251 16 I HN 0.260 nan 8.210 nan 0.000 0.426 17 T N 4.756 119.366 114.554 0.094 0.000 2.758 17 T HA 0.237 4.587 4.350 -0.000 0.000 0.285 17 T C -0.052 174.513 174.700 -0.224 0.000 0.981 17 T CA -0.385 61.714 62.100 -0.001 0.000 0.965 17 T CB 1.131 70.035 68.868 0.061 0.000 0.927 17 T HN 0.422 nan 8.240 nan 0.000 0.448 18 E N 2.955 122.821 120.200 -0.556 0.000 2.289 18 E HA 0.254 4.604 4.350 -0.000 0.000 0.278 18 E C 0.074 176.389 176.600 -0.475 0.000 1.032 18 E CA -0.224 55.749 56.400 -0.712 0.000 0.854 18 E CB 0.507 29.333 29.700 -1.458 0.000 1.046 18 E HN 0.544 nan 8.360 nan 0.000 0.409 19 L N 4.239 125.212 121.223 -0.416 0.000 2.766 19 L HA 0.173 4.513 4.340 -0.000 0.000 0.242 19 L C 1.752 178.408 176.870 -0.357 0.000 1.136 19 L CA -0.144 54.460 54.840 -0.393 0.000 0.933 19 L CB 0.263 41.989 42.059 -0.555 0.000 1.241 19 L HN 0.472 nan 8.230 nan 0.000 0.522 20 V N 0.855 120.549 119.914 -0.367 0.000 2.469 20 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 20 V C 2.042 177.962 176.094 -0.290 0.000 1.064 20 V CA 1.920 63.976 62.300 -0.407 0.000 1.066 20 V CB -0.043 31.418 31.823 -0.603 0.000 0.667 20 V HN 0.458 nan 8.190 nan 0.000 0.461 21 L N -0.800 120.286 121.223 -0.229 0.000 2.554 21 L HA 0.118 4.458 4.340 -0.000 0.000 0.226 21 L C 2.308 179.214 176.870 0.059 0.000 1.137 21 L CA 0.583 55.381 54.840 -0.071 0.000 0.863 21 L CB -0.286 41.577 42.059 -0.327 0.000 0.985 21 L HN 0.294 nan 8.230 nan 0.000 0.451 22 R N -0.549 119.850 120.500 -0.168 0.000 4.999 22 R HA 0.000 4.340 4.340 -0.000 0.000 0.115 22 R C 1.192 177.196 176.300 -0.494 0.000 1.404 22 R CA 0.448 56.375 56.100 -0.288 0.000 0.925 22 R CB -0.623 29.596 30.300 -0.136 0.000 1.282 22 R HN -0.092 nan 8.270 nan 0.000 0.405 23 D N 1.320 121.554 120.400 -0.277 0.000 2.144 23 D HA -0.002 4.638 4.640 -0.000 0.000 0.199 23 D C 1.566 177.828 176.300 -0.064 0.000 0.984 23 D CA 1.590 55.510 54.000 -0.132 0.000 0.834 23 D CB 0.033 40.819 40.800 -0.023 0.000 0.955 23 D HN 0.398 nan 8.370 nan 0.000 0.465 24 A N 0.179 122.908 122.820 -0.152 0.000 1.865 24 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 24 A C 1.946 179.488 177.584 -0.070 0.000 1.191 24 A CA 2.278 54.288 52.037 -0.044 0.000 0.623 24 A CB -1.249 17.671 19.000 -0.132 0.000 0.826 24 A HN 0.614 nan 8.150 nan 0.000 0.444 25 H N -1.695 117.318 119.070 -0.096 0.000 2.502 25 H HA 0.116 4.671 4.556 -0.000 0.000 0.283 25 H C 1.882 177.177 175.328 -0.056 0.000 1.015 25 H CA 1.129 57.111 56.048 -0.110 0.000 1.298 25 H CB -0.424 29.229 29.762 -0.182 0.000 1.411 25 H HN 0.598 nan 8.280 nan 0.000 0.556 26 Q N 1.031 120.635 119.800 -0.328 0.000 2.079 26 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 26 Q C 1.607 177.601 176.000 -0.009 0.000 0.974 26 Q CA 1.826 57.556 55.803 -0.121 0.000 0.840 26 Q CB 0.052 28.709 28.738 -0.136 0.000 0.898 26 Q HN 0.518 nan 8.270 nan 0.000 0.430 27 S N 0.103 115.809 115.700 0.009 0.000 2.414 27 S HA 0.039 4.508 4.470 -0.000 0.000 0.227 27 S C 1.716 176.332 174.600 0.025 0.000 1.022 27 S CA 0.659 58.884 58.200 0.043 0.000 0.958 27 S CB 0.109 63.337 63.200 0.048 0.000 0.797 27 S HN 0.347 nan 8.310 nan 0.000 0.493 28 L N 0.796 122.033 121.223 0.023 0.000 2.470 28 L HA 0.319 4.659 4.340 -0.000 0.000 0.219 28 L C 1.144 178.062 176.870 0.081 0.000 1.071 28 L CA 0.400 55.263 54.840 0.039 0.000 0.850 28 L CB 0.045 42.119 42.059 0.025 0.000 1.040 28 L HN 0.360 nan 8.230 nan 0.000 0.475 29 M N -1.336 118.315 119.600 0.085 0.000 3.320 29 M HA 0.501 4.981 4.480 -0.000 0.000 0.414 29 M C 0.377 176.711 176.300 0.058 0.000 1.553 29 M CA -0.294 55.090 55.300 0.141 0.000 0.742 29 M CB 0.337 33.036 32.600 0.165 0.000 1.434 29 M HN 0.003 nan 8.290 nan 0.000 0.505 30 A N 0.248 123.102 122.820 0.057 0.000 2.783 30 A HA -0.182 4.138 4.320 -0.000 0.000 0.292 30 A C 0.969 178.541 177.584 -0.020 0.000 1.495 30 A CA 1.288 53.333 52.037 0.013 0.000 0.787 30 A CB -2.805 16.201 19.000 0.010 0.000 1.017 30 A HN 1.198 nan 8.150 nan 0.000 0.516 31 T N -2.240 112.353 114.554 0.066 0.000 4.386 31 T HA -0.259 4.091 4.350 -0.000 0.000 0.320 31 T C 0.740 175.503 174.700 0.105 0.000 0.916 31 T CA 1.557 63.776 62.100 0.198 0.000 2.028 31 T CB -1.084 67.857 68.868 0.122 0.000 1.935 31 T HN 0.896 nan 8.240 nan 0.000 0.894 32 R N -0.648 119.797 120.500 -0.091 0.000 2.310 32 R HA 0.321 4.661 4.340 -0.000 0.000 0.202 32 R C 0.897 177.160 176.300 -0.061 0.000 0.933 32 R CA -0.156 55.827 56.100 -0.195 0.000 1.054 32 R CB -0.283 29.629 30.300 -0.647 0.000 0.985 32 R HN 0.550 nan 8.270 nan 0.000 0.489 33 M N 1.490 120.891 119.600 -0.333 0.000 2.327 33 M HA 0.084 4.563 4.480 -0.000 0.000 0.353 33 M C -0.208 175.977 176.300 -0.191 0.000 1.539 33 M CA -0.447 54.522 55.300 -0.552 0.000 1.039 33 M CB 0.484 32.440 32.600 -1.074 0.000 1.967 33 M HN 0.140 nan 8.290 nan 0.000 0.459 34 A N 5.546 128.416 122.820 0.083 0.000 2.371 34 A HA 0.345 4.665 4.320 -0.000 0.000 0.257 34 A C 0.880 178.497 177.584 0.054 0.000 1.089 34 A CA -0.600 51.493 52.037 0.094 0.000 0.794 34 A CB 0.272 19.371 19.000 0.165 0.000 1.029 34 A HN 1.044 nan 8.150 nan 0.000 0.488 35 M N 1.249 120.862 119.600 0.023 0.000 2.159 35 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 35 M C 1.848 178.169 176.300 0.035 0.000 1.063 35 M CA 2.498 57.796 55.300 -0.003 0.000 1.110 35 M CB -0.695 31.854 32.600 -0.085 0.000 1.374 35 M HN 0.887 nan 8.290 nan 0.000 0.411 36 E N -1.836 118.392 120.200 0.047 0.000 2.338 36 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 36 E C 0.715 177.372 176.600 0.095 0.000 1.007 36 E CA 1.292 57.727 56.400 0.058 0.000 0.849 36 E CB -0.511 29.221 29.700 0.053 0.000 0.774 36 E HN 0.484 nan 8.360 nan 0.000 0.506 37 D N -0.032 120.444 120.400 0.128 0.000 2.349 37 D HA 0.102 4.741 4.640 -0.000 0.000 0.215 37 D C 1.536 177.972 176.300 0.227 0.000 1.016 37 D CA 0.588 54.684 54.000 0.161 0.000 0.870 37 D CB 0.287 41.213 40.800 0.210 0.000 0.917 37 D HN 0.359 nan 8.370 nan 0.000 0.524 38 M N -0.413 119.316 119.600 0.216 0.000 2.740 38 M HA -0.013 4.466 4.480 -0.000 0.000 0.253 38 M C 2.225 178.620 176.300 0.159 0.000 1.341 38 M CA 0.272 55.745 55.300 0.287 0.000 1.176 38 M CB 0.422 33.273 32.600 0.418 0.000 1.310 38 M HN -0.124 nan 8.290 nan 0.000 0.531 39 V N -1.138 118.855 119.914 0.133 0.000 2.546 39 V HA -0.101 4.019 4.120 -0.000 0.000 0.254 39 V C 1.998 178.077 176.094 -0.024 0.000 1.076 39 V CA 2.222 64.572 62.300 0.084 0.000 1.087 39 V CB -2.245 29.600 31.823 0.037 0.000 0.674 39 V HN 0.525 nan 8.190 nan 0.000 0.470 40 G N -0.353 108.384 108.800 -0.104 0.000 2.509 40 G HA2 0.092 4.052 3.960 -0.000 0.000 0.218 40 G HA3 0.092 4.052 3.960 -0.000 0.000 0.218 40 G C 1.374 175.995 174.900 -0.465 0.000 1.124 40 G CA 0.777 45.755 45.100 -0.204 0.000 0.776 40 G HN 0.981 nan 8.290 nan 0.000 0.547 41 A N -1.053 121.401 122.820 -0.610 0.000 2.390 41 A HA 0.324 4.644 4.320 -0.000 0.000 0.232 41 A C 2.110 179.632 177.584 -0.104 0.000 1.233 41 A CA 0.580 52.353 52.037 -0.440 0.000 0.907 41 A CB -0.384 18.322 19.000 -0.491 0.000 0.967 41 A HN 0.293 nan 8.150 nan 0.000 0.512 42 C N -0.666 118.607 119.300 -0.045 0.000 2.429 42 C HA -0.041 4.419 4.460 -0.000 0.000 0.277 42 C C 3.214 178.212 174.990 0.013 0.000 1.262 42 C CA 1.272 60.306 59.018 0.027 0.000 1.733 42 C CB -1.101 26.694 27.740 0.093 0.000 2.010 42 C HN 0.723 nan 8.230 nan 0.000 0.483 43 A N 0.566 123.384 122.820 -0.004 0.000 1.902 43 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 43 A C 1.842 179.427 177.584 0.003 0.000 1.181 43 A CA 2.157 54.194 52.037 -0.001 0.000 0.623 43 A CB -0.581 18.415 19.000 -0.006 0.000 0.818 43 A HN 0.589 nan 8.150 nan 0.000 0.443 44 D N -0.195 120.206 120.400 0.001 0.000 2.144 44 D HA -0.071 4.569 4.640 -0.000 0.000 0.200 44 D C 1.903 178.227 176.300 0.041 0.000 0.978 44 D CA 1.001 55.011 54.000 0.016 0.000 0.833 44 D CB -0.259 40.555 40.800 0.023 0.000 0.961 44 D HN 0.508 nan 8.370 nan 0.000 0.470 45 I N 0.957 121.574 120.570 0.079 0.000 2.226 45 I HA -0.262 3.907 4.170 -0.000 0.000 0.245 45 I C 2.064 178.264 176.117 0.139 0.000 1.100 45 I CA 1.167 62.571 61.300 0.174 0.000 1.374 45 I CB -0.081 37.994 38.000 0.125 0.000 1.057 45 I HN -0.110 nan 8.210 nan 0.000 0.413 46 D N 0.737 121.170 120.400 0.054 0.000 2.219 46 D HA -0.107 4.533 4.640 -0.000 0.000 0.205 46 D C 1.689 177.987 176.300 -0.002 0.000 0.970 46 D CA 1.114 55.127 54.000 0.022 0.000 0.851 46 D CB 0.184 40.986 40.800 0.003 0.000 0.943 46 D HN 0.303 nan 8.370 nan 0.000 0.488 47 A N -0.808 122.002 122.820 -0.016 0.000 2.465 47 A HA 0.620 4.940 4.320 -0.000 0.000 0.255 47 A C 1.798 179.323 177.584 -0.097 0.000 1.274 47 A CA 0.513 52.523 52.037 -0.045 0.000 0.920 47 A CB 0.042 19.024 19.000 -0.030 0.000 1.033 47 A HN 0.220 nan 8.150 nan 0.000 0.516 48 A N -0.855 121.871 122.820 -0.157 0.000 1.970 48 A HA 0.396 4.715 4.320 -0.000 0.000 0.216 48 A C 1.766 179.098 177.584 -0.419 0.000 1.170 48 A CA 1.515 53.343 52.037 -0.348 0.000 0.645 48 A CB -0.449 18.181 19.000 -0.618 0.000 0.816 48 A HN 1.751 nan 8.150 nan 0.000 0.447 49 G N -2.859 105.742 108.800 -0.331 0.000 2.148 49 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.157 49 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.157 49 G C -0.057 174.749 174.900 -0.157 0.000 1.012 49 G CA -0.161 44.807 45.100 -0.220 0.000 0.677 49 G HN 0.404 nan 8.290 nan 0.000 0.506 50 Y N -1.210 119.067 120.300 -0.038 0.000 2.457 50 Y HA 0.340 4.890 4.550 -0.000 0.000 0.341 50 Y C 1.540 177.442 175.900 0.004 0.000 1.240 50 Y CA -0.141 57.951 58.100 -0.013 0.000 1.437 50 Y CB 0.551 38.983 38.460 -0.046 0.000 1.328 50 Y HN 0.231 nan 8.280 nan 0.000 0.588 51 W N 1.996 123.360 121.300 0.107 0.000 2.409 51 W HA -0.033 4.627 4.660 -0.000 0.000 0.299 51 W C 0.254 176.764 176.519 -0.015 0.000 1.203 51 W CA 1.387 58.742 57.345 0.017 0.000 1.298 51 W CB 0.088 29.540 29.460 -0.014 0.000 1.127 51 W HN 0.448 nan 8.180 nan 0.000 0.528 52 S N -1.351 114.315 115.700 -0.057 0.000 2.596 52 S HA 0.596 5.065 4.470 -0.000 0.000 0.270 52 S C -1.499 172.995 174.600 -0.176 0.000 1.155 52 S CA -1.048 56.992 58.200 -0.266 0.000 0.827 52 S CB 2.030 65.034 63.200 -0.327 0.000 1.130 52 S HN -0.112 nan 8.310 nan 0.000 0.467 53 V N 1.702 121.478 119.914 -0.231 0.000 2.349 53 V HA 0.449 4.569 4.120 -0.000 0.000 0.284 53 V C -0.054 175.885 176.094 -0.259 0.000 1.014 53 V CA -0.490 61.639 62.300 -0.284 0.000 0.826 53 V CB 1.013 32.677 31.823 -0.266 0.000 1.009 53 V HN 0.976 nan 8.190 nan 0.000 0.431 54 E N 3.713 123.765 120.200 -0.247 0.000 2.265 54 E HA 0.182 4.531 4.350 -0.000 0.000 0.272 54 E C 0.408 176.884 176.600 -0.208 0.000 1.067 54 E CA -0.003 56.284 56.400 -0.189 0.000 0.900 54 E CB 0.646 30.242 29.700 -0.173 0.000 1.017 54 E HN 0.974 nan 8.360 nan 0.000 0.431 55 C N 3.321 122.537 119.300 -0.140 0.000 3.722 55 C HA 0.493 4.953 4.460 -0.000 0.000 0.279 55 C C -0.547 174.580 174.990 0.227 0.000 1.819 55 C CA -1.002 57.929 59.018 -0.144 0.000 1.744 55 C CB -1.293 26.117 27.740 -0.550 0.000 3.247 55 C HN 0.751 nan 8.230 nan 0.000 0.549 56 W N 0.596 121.868 121.300 -0.046 0.000 3.025 56 W HA 0.635 5.295 4.660 -0.000 0.000 0.343 56 W C 0.473 177.000 176.519 0.014 0.000 1.246 56 W CA 1.129 58.485 57.345 0.018 0.000 1.178 56 W CB 0.861 30.320 29.460 -0.003 0.000 1.463 56 W HN 1.099 nan 8.180 nan 0.000 0.578 57 G N 1.133 109.694 108.800 -0.398 0.000 2.681 57 G HA2 0.409 4.369 3.960 -0.000 0.000 0.220 57 G HA3 0.409 4.369 3.960 -0.000 0.000 0.220 57 G C 0.595 175.403 174.900 -0.154 0.000 1.353 57 G CA 0.908 45.846 45.100 -0.269 0.000 0.872 57 G HN 2.365 nan 8.290 nan 0.000 0.557 58 G N -1.279 107.482 108.800 -0.064 0.000 2.547 58 G HA2 0.217 4.176 3.960 -0.000 0.000 0.271 58 G HA3 0.217 4.176 3.960 -0.000 0.000 0.271 58 G C 1.403 176.291 174.900 -0.019 0.000 1.209 58 G CA 2.372 47.462 45.100 -0.017 0.000 0.959 58 G HN 2.584 nan 8.290 nan 0.000 0.563 59 A N -0.358 122.460 122.820 -0.003 0.000 2.307 59 A HA 0.477 4.797 4.320 -0.000 0.000 0.218 59 A C 2.322 179.903 177.584 -0.005 0.000 1.228 59 A CA 1.994 54.045 52.037 0.024 0.000 0.857 59 A CB -0.652 18.379 19.000 0.051 0.000 0.897 59 A HN 2.048 nan 8.150 nan 0.000 0.495 60 T N -3.656 110.871 114.554 -0.045 0.000 2.867 60 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 60 T C 1.736 176.354 174.700 -0.136 0.000 1.057 60 T CA 1.471 63.544 62.100 -0.045 0.000 1.136 60 T CB -0.610 68.247 68.868 -0.019 0.000 0.874 60 T HN 0.454 nan 8.240 nan 0.000 0.466 61 Y N 2.290 122.385 120.300 -0.342 0.000 2.114 61 Y HA -0.151 4.399 4.550 -0.000 0.000 0.284 61 Y C 2.397 178.005 175.900 -0.485 0.000 1.143 61 Y CA 1.929 59.791 58.100 -0.395 0.000 1.135 61 Y CB -0.469 37.795 38.460 -0.327 0.000 0.980 61 Y HN 0.351 nan 8.280 nan 0.000 0.499 62 D N -1.115 119.130 120.400 -0.259 0.000 2.092 62 D HA -0.253 4.386 4.640 -0.000 0.000 0.193 62 D C 2.379 178.392 176.300 -0.479 0.000 0.994 62 D CA 1.913 55.517 54.000 -0.659 0.000 0.828 62 D CB -0.493 40.125 40.800 -0.303 0.000 0.963 62 D HN 0.275 nan 8.370 nan 0.000 0.450 63 S N -1.438 114.133 115.700 -0.214 0.000 2.370 63 S HA -0.192 4.277 4.470 -0.000 0.000 0.226 63 S C 2.260 176.780 174.600 -0.134 0.000 1.033 63 S CA 1.374 59.545 58.200 -0.049 0.000 1.011 63 S CB -0.834 62.442 63.200 0.127 0.000 0.852 63 S HN 0.567 nan 8.310 nan 0.000 0.457 64 C N 1.650 120.819 119.300 -0.218 0.000 2.413 64 C HA -0.046 4.414 4.460 -0.000 0.000 0.276 64 C C 2.501 177.254 174.990 -0.396 0.000 1.236 64 C CA 1.051 59.915 59.018 -0.257 0.000 1.735 64 C CB -1.436 26.109 27.740 -0.326 0.000 2.031 64 C HN 0.844 nan 8.230 nan 0.000 0.474 65 I N -0.879 119.322 120.570 -0.616 0.000 2.716 65 I HA 0.018 4.188 4.170 -0.000 0.000 0.259 65 I C 2.524 178.367 176.117 -0.456 0.000 1.172 65 I CA 1.301 62.108 61.300 -0.821 0.000 1.478 65 I CB -0.655 36.762 38.000 -0.971 0.000 1.104 65 I HN 0.197 nan 8.210 nan 0.000 0.439 66 R N 0.578 120.765 120.500 -0.522 0.000 2.140 66 R HA 0.126 4.466 4.340 -0.000 0.000 0.213 66 R C 1.457 177.439 176.300 -0.530 0.000 1.059 66 R CA 1.141 56.878 56.100 -0.605 0.000 1.000 66 R CB 0.075 29.791 30.300 -0.973 0.000 0.910 66 R HN 0.435 nan 8.270 nan 0.000 0.455 67 F N -1.272 118.637 119.950 -0.068 0.000 2.747 67 F HA 0.208 4.735 4.527 -0.000 0.000 0.305 67 F C 1.254 177.058 175.800 0.006 0.000 1.065 67 F CA -0.346 57.643 58.000 -0.019 0.000 1.230 67 F CB 0.670 39.646 39.000 -0.039 0.000 1.027 67 F HN -0.140 nan 8.300 nan 0.000 0.607 68 L N -0.268 121.038 121.223 0.138 0.000 2.728 68 L HA 0.240 4.580 4.340 -0.000 0.000 0.238 68 L C 0.205 177.106 176.870 0.051 0.000 1.143 68 L CA -0.112 54.788 54.840 0.100 0.000 0.937 68 L CB -0.399 41.692 42.059 0.053 0.000 1.225 68 L HN 0.130 nan 8.230 nan 0.000 0.507 69 N N 2.217 120.967 118.700 0.084 0.000 2.716 69 N HA -0.273 4.467 4.740 -0.000 0.000 0.250 69 N C -0.013 175.632 175.510 0.225 0.000 1.033 69 N CA 0.703 53.873 53.050 0.200 0.000 0.727 69 N CB -0.534 37.992 38.487 0.065 0.000 0.950 69 N HN 0.640 nan 8.380 nan 0.000 0.541 70 E N -0.070 120.194 120.200 0.106 0.000 2.238 70 E HA 0.217 4.567 4.350 -0.000 0.000 0.267 70 E C -1.467 175.135 176.600 0.003 0.000 0.887 70 E CA -0.874 55.577 56.400 0.086 0.000 0.769 70 E CB 0.862 30.546 29.700 -0.026 0.000 1.187 70 E HN 0.245 nan 8.360 nan 0.000 0.416 71 D N 4.951 125.489 120.400 0.230 0.000 2.325 71 D HA 0.126 4.766 4.640 -0.000 0.000 0.251 71 D C -1.790 174.525 176.300 0.025 0.000 1.196 71 D CA -2.209 51.938 54.000 0.245 0.000 0.866 71 D CB 1.645 42.708 40.800 0.438 0.000 1.101 71 D HN 0.257 nan 8.370 nan 0.000 0.476 72 P HA -0.123 nan 4.420 nan 0.000 0.216 72 P C 1.030 178.377 177.300 0.078 0.000 1.153 72 P CA 1.253 64.224 63.100 -0.216 0.000 0.858 72 P CB 0.027 31.119 31.700 -1.013 0.000 0.789 73 W N -0.094 121.310 121.300 0.173 0.000 2.402 73 W HA -0.090 4.570 4.660 -0.000 0.000 0.286 73 W C 2.476 178.974 176.519 -0.036 0.000 1.221 73 W CA 0.817 58.213 57.345 0.083 0.000 1.257 73 W CB -0.800 28.724 29.460 0.106 0.000 1.120 73 W HN -0.001 nan 8.180 nan 0.000 0.551 74 E N 0.949 121.258 120.200 0.182 0.000 2.152 74 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 74 E C 2.145 178.707 176.600 -0.063 0.000 0.983 74 E CA 1.235 57.668 56.400 0.055 0.000 0.818 74 E CB -0.243 29.492 29.700 0.059 0.000 0.758 74 E HN 0.180 nan 8.360 nan 0.000 0.467 75 R N -0.173 120.280 120.500 -0.078 0.000 2.081 75 R HA -0.142 4.197 4.340 -0.000 0.000 0.235 75 R C 2.233 178.347 176.300 -0.311 0.000 1.131 75 R CA 1.471 57.427 56.100 -0.239 0.000 0.960 75 R CB -0.438 29.801 30.300 -0.102 0.000 0.856 75 R HN 0.322 nan 8.270 nan 0.000 0.436 76 L N 1.264 122.318 121.223 -0.281 0.000 2.017 76 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 76 L C 2.194 178.931 176.870 -0.222 0.000 1.073 76 L CA 1.783 56.347 54.840 -0.461 0.000 0.745 76 L CB -0.455 40.965 42.059 -1.064 0.000 0.894 76 L HN 0.103 nan 8.230 nan 0.000 0.432 77 R N -1.222 119.184 120.500 -0.156 0.000 2.096 77 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 77 R C 2.057 178.313 176.300 -0.075 0.000 1.127 77 R CA 1.851 57.899 56.100 -0.086 0.000 0.968 77 R CB -0.696 29.578 30.300 -0.044 0.000 0.861 77 R HN 0.441 nan 8.270 nan 0.000 0.440 78 T N 0.551 115.031 114.554 -0.123 0.000 2.737 78 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 78 T C 1.547 176.228 174.700 -0.031 0.000 1.038 78 T CA 1.189 63.217 62.100 -0.121 0.000 1.144 78 T CB -0.266 68.468 68.868 -0.223 0.000 0.866 78 T HN 0.179 nan 8.240 nan 0.000 0.434 79 F N 1.091 121.004 119.950 -0.062 0.000 2.134 79 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 79 F C 2.799 178.553 175.800 -0.077 0.000 1.097 79 F CA 0.622 58.585 58.000 -0.061 0.000 1.264 79 F CB -0.087 38.871 39.000 -0.070 0.000 1.001 79 F HN -0.013 nan 8.300 nan 0.000 0.479 80 R N 1.459 122.014 120.500 0.091 0.000 2.096 80 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 80 R C 1.949 178.254 176.300 0.008 0.000 1.127 80 R CA 1.711 57.816 56.100 0.008 0.000 0.968 80 R CB -0.517 29.759 30.300 -0.039 0.000 0.861 80 R HN 0.189 nan 8.270 nan 0.000 0.440 81 K N -0.294 120.112 120.400 0.011 0.000 2.076 81 K HA 0.003 4.323 4.320 -0.000 0.000 0.204 81 K C 1.760 178.370 176.600 0.017 0.000 1.051 81 K CA 1.148 57.437 56.287 0.004 0.000 0.949 81 K CB 0.008 32.503 32.500 -0.007 0.000 0.726 81 K HN 0.248 nan 8.250 nan 0.000 0.443 82 L N 0.315 121.565 121.223 0.046 0.000 2.418 82 L HA 0.084 4.424 4.340 -0.000 0.000 0.218 82 L C 0.931 177.827 176.870 0.044 0.000 1.125 82 L CA 0.407 55.278 54.840 0.053 0.000 0.835 82 L CB 0.143 42.256 42.059 0.090 0.000 0.953 82 L HN 0.208 nan 8.230 nan 0.000 0.454 83 M N 0.448 120.071 119.600 0.038 0.000 2.952 83 M HA 0.202 4.682 4.480 -0.000 0.000 0.259 83 M C -1.742 174.548 176.300 -0.017 0.000 1.306 83 M CA -1.099 54.204 55.300 0.005 0.000 0.626 83 M CB 1.216 33.808 32.600 -0.014 0.000 1.423 83 M HN -0.223 nan 8.290 nan 0.000 0.459 84 P HA -0.132 nan 4.420 nan 0.000 0.221 84 P C 0.205 177.483 177.300 -0.036 0.000 1.145 84 P CA 1.460 64.546 63.100 -0.024 0.000 0.795 84 P CB 0.140 31.830 31.700 -0.017 0.000 0.775 85 N N -0.790 117.888 118.700 -0.038 0.000 2.236 85 N HA 0.076 4.816 4.740 -0.000 0.000 0.196 85 N C 0.197 175.666 175.510 -0.068 0.000 1.114 85 N CA 0.191 53.213 53.050 -0.047 0.000 0.859 85 N CB 0.422 38.887 38.487 -0.037 0.000 0.982 85 N HN 0.108 nan 8.380 nan 0.000 0.493 86 S N 0.462 116.116 115.700 -0.078 0.000 2.608 86 S HA 0.400 4.870 4.470 -0.000 0.000 0.291 86 S C 0.349 174.851 174.600 -0.164 0.000 1.146 86 S CA -0.725 57.408 58.200 -0.112 0.000 1.043 86 S CB 1.985 65.131 63.200 -0.090 0.000 1.037 86 S HN 0.061 nan 8.310 nan 0.000 0.520 87 R N 1.685 122.036 120.500 -0.250 0.000 2.210 87 R HA 0.298 4.638 4.340 -0.000 0.000 0.338 87 R C -0.630 175.498 176.300 -0.286 0.000 1.062 87 R CA -0.171 55.737 56.100 -0.320 0.000 0.902 87 R CB 0.000 29.958 30.300 -0.570 0.000 1.050 87 R HN 0.476 nan 8.270 nan 0.000 0.461 88 L N 2.824 123.912 121.223 -0.225 0.000 2.371 88 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 88 L C 0.336 177.070 176.870 -0.225 0.000 1.124 88 L CA -0.087 54.627 54.840 -0.212 0.000 0.816 88 L CB 0.743 42.696 42.059 -0.178 0.000 1.129 88 L HN 0.523 nan 8.230 nan 0.000 0.448 89 Q N 3.513 123.198 119.800 -0.191 0.000 2.413 89 Q HA 0.747 5.087 4.340 -0.000 0.000 0.276 89 Q C -1.103 174.839 176.000 -0.097 0.000 1.099 89 Q CA -0.789 54.920 55.803 -0.157 0.000 0.814 89 Q CB 2.725 31.397 28.738 -0.110 0.000 1.379 89 Q HN 0.680 nan 8.270 nan 0.000 0.436 90 M N 1.084 120.638 119.600 -0.077 0.000 2.664 90 M HA 0.599 5.079 4.480 -0.000 0.000 0.279 90 M C -1.981 174.345 176.300 0.043 0.000 1.275 90 M CA -1.221 54.094 55.300 0.024 0.000 0.829 90 M CB 1.712 34.393 32.600 0.134 0.000 1.727 90 M HN 0.539 nan 8.290 nan 0.000 0.459 91 L N 2.446 123.702 121.223 0.055 0.000 2.305 91 L HA 0.755 5.095 4.340 -0.000 0.000 0.284 91 L C -1.974 174.987 176.870 0.152 0.000 1.013 91 L CA -0.569 54.325 54.840 0.091 0.000 0.819 91 L CB 1.656 43.724 42.059 0.016 0.000 1.227 91 L HN 0.781 nan 8.230 nan 0.000 0.417 92 L N 5.094 126.448 121.223 0.218 0.000 2.381 92 L HA 0.538 4.878 4.340 -0.000 0.000 0.274 92 L C -0.055 176.809 176.870 -0.009 0.000 0.988 92 L CA -0.333 54.573 54.840 0.110 0.000 0.824 92 L CB 1.525 43.701 42.059 0.194 0.000 1.263 92 L HN 0.714 nan 8.230 nan 0.000 0.410 93 R N 4.172 124.525 120.500 -0.244 0.000 4.496 93 R HA 0.406 4.746 4.340 -0.000 0.000 0.211 93 R C 0.967 176.944 176.300 -0.537 0.000 1.738 93 R CA 0.749 56.419 56.100 -0.717 0.000 1.528 93 R CB -0.697 29.191 30.300 -0.687 0.000 1.414 93 R HN 1.006 nan 8.270 nan 0.000 0.812 94 G N 1.633 110.215 108.800 -0.364 0.000 2.684 94 G HA2 -0.481 3.479 3.960 -0.000 0.000 0.332 94 G HA3 -0.481 3.479 3.960 -0.000 0.000 0.332 94 G C 0.596 175.342 174.900 -0.257 0.000 1.306 94 G CA 0.748 45.691 45.100 -0.261 0.000 1.002 94 G HN 0.559 nan 8.290 nan 0.000 0.545 95 Q N 0.367 119.987 119.800 -0.301 0.000 2.364 95 Q HA 0.053 4.393 4.340 -0.000 0.000 0.209 95 Q C 2.300 178.122 176.000 -0.297 0.000 0.977 95 Q CA 1.931 57.568 55.803 -0.277 0.000 0.885 95 Q CB -0.287 28.240 28.738 -0.353 0.000 0.941 95 Q HN 0.584 nan 8.270 nan 0.000 0.464 96 N N -0.793 117.665 118.700 -0.404 0.000 2.422 96 N HA 0.041 4.781 4.740 -0.000 0.000 0.181 96 N C 0.536 175.915 175.510 -0.219 0.000 1.080 96 N CA 0.639 53.518 53.050 -0.285 0.000 0.893 96 N CB 0.323 38.592 38.487 -0.363 0.000 0.973 96 N HN 0.198 nan 8.380 nan 0.000 0.456 97 L N -0.748 120.279 121.223 -0.327 0.000 6.079 97 L HA -0.360 3.979 4.340 -0.000 0.000 0.053 97 L C 0.681 177.250 176.870 -0.501 0.000 2.483 97 L CA 1.278 55.806 54.840 -0.520 0.000 1.581 97 L CB -1.057 40.550 42.059 -0.753 0.000 2.843 97 L HN 0.080 nan 8.230 nan 0.000 1.020 98 L N -0.192 120.657 121.223 -0.623 0.000 2.959 98 L HA 0.306 4.646 4.340 -0.000 0.000 0.259 98 L C 0.971 177.619 176.870 -0.370 0.000 1.185 98 L CA 0.315 54.903 54.840 -0.421 0.000 0.998 98 L CB 0.593 42.361 42.059 -0.485 0.000 1.337 98 L HN 0.558 nan 8.230 nan 0.000 0.555 99 G N -0.576 107.979 108.800 -0.409 0.000 2.531 99 G HA2 0.088 4.048 3.960 -0.000 0.000 0.281 99 G HA3 0.088 4.048 3.960 -0.000 0.000 0.281 99 G C 0.156 174.927 174.900 -0.214 0.000 1.382 99 G CA -0.207 44.662 45.100 -0.384 0.000 1.045 99 G HN 0.281 nan 8.290 nan 0.000 0.533 100 Y N -1.334 118.843 120.300 -0.205 0.000 2.457 100 Y HA 0.450 5.000 4.550 -0.000 0.000 0.263 100 Y C 0.944 176.743 175.900 -0.168 0.000 1.164 100 Y CA -0.507 57.493 58.100 -0.167 0.000 1.274 100 Y CB -0.058 38.310 38.460 -0.154 0.000 1.097 100 Y HN 0.543 nan 8.280 nan 0.000 0.523 101 R N -1.439 118.624 120.500 -0.729 0.000 2.762 101 R HA 0.375 4.715 4.340 -0.000 0.000 0.271 101 R C -1.339 174.622 176.300 -0.564 0.000 1.038 101 R CA -0.921 54.833 56.100 -0.578 0.000 0.906 101 R CB 0.781 30.632 30.300 -0.748 0.000 1.259 101 R HN 0.146 nan 8.270 nan 0.000 0.457 102 H N -0.096 118.678 119.070 -0.493 0.000 2.652 102 H HA 0.205 4.761 4.556 -0.000 0.000 0.349 102 H C -0.762 174.249 175.328 -0.528 0.000 1.099 102 H CA 0.210 56.053 56.048 -0.342 0.000 1.417 102 H CB 0.742 30.404 29.762 -0.165 0.000 1.457 102 H HN 0.301 nan 8.280 nan 0.000 0.568 103 Y N 0.353 120.613 120.300 -0.068 0.000 2.587 103 Y HA 0.055 4.605 4.550 -0.000 0.000 0.337 103 Y C 0.860 176.752 175.900 -0.014 0.000 1.065 103 Y CA -0.959 57.108 58.100 -0.056 0.000 1.126 103 Y CB 0.873 39.288 38.460 -0.076 0.000 1.279 103 Y HN 0.632 nan 8.280 nan 0.000 0.489 104 N N 1.215 120.017 118.700 0.170 0.000 2.441 104 N HA -0.106 4.634 4.740 -0.000 0.000 0.251 104 N C 0.238 175.795 175.510 0.079 0.000 1.242 104 N CA 0.152 53.257 53.050 0.091 0.000 0.898 104 N CB 0.815 39.361 38.487 0.100 0.000 1.100 104 N HN 0.746 nan 8.380 nan 0.000 0.443 105 D N 1.632 122.012 120.400 -0.035 0.000 2.203 105 D HA -0.246 4.394 4.640 -0.000 0.000 0.199 105 D C 1.543 177.888 176.300 0.074 0.000 0.997 105 D CA 1.404 55.333 54.000 -0.119 0.000 0.863 105 D CB 0.049 40.486 40.800 -0.605 0.000 0.928 105 D HN 0.805 nan 8.370 nan 0.000 0.458 106 E N 0.432 120.666 120.200 0.055 0.000 2.150 106 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 106 E C 1.997 178.607 176.600 0.016 0.000 0.985 106 E CA 0.736 57.160 56.400 0.039 0.000 0.814 106 E CB -0.205 29.514 29.700 0.032 0.000 0.752 106 E HN 0.080 nan 8.360 nan 0.000 0.466 107 V N 1.374 121.354 119.914 0.109 0.000 2.453 107 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 107 V C 2.454 178.598 176.094 0.084 0.000 1.048 107 V CA 1.206 63.581 62.300 0.125 0.000 1.049 107 V CB -0.043 31.888 31.823 0.180 0.000 0.672 107 V HN 0.189 nan 8.190 nan 0.000 0.457 108 V N 0.239 120.217 119.914 0.107 0.000 2.343 108 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 108 V C 2.330 178.487 176.094 0.106 0.000 1.051 108 V CA 2.158 64.528 62.300 0.117 0.000 1.036 108 V CB -0.662 31.265 31.823 0.173 0.000 0.654 108 V HN 0.570 nan 8.190 nan 0.000 0.451 109 D N -0.210 120.233 120.400 0.073 0.000 2.104 109 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 109 D C 2.420 178.689 176.300 -0.051 0.000 0.994 109 D CA 1.084 55.075 54.000 -0.015 0.000 0.830 109 D CB -0.250 40.544 40.800 -0.009 0.000 0.959 109 D HN 0.290 nan 8.370 nan 0.000 0.452 110 R N 0.283 120.715 120.500 -0.114 0.000 2.080 110 R HA -0.135 4.205 4.340 -0.000 0.000 0.236 110 R C 2.360 178.658 176.300 -0.002 0.000 1.137 110 R CA 0.586 56.558 56.100 -0.212 0.000 0.943 110 R CB -1.347 28.644 30.300 -0.514 0.000 0.846 110 R HN 0.283 nan 8.270 nan 0.000 0.431 111 F N 1.393 121.362 119.950 0.032 0.000 2.069 111 F HA -0.227 4.299 4.527 -0.000 0.000 0.298 111 F C 2.343 178.306 175.800 0.273 0.000 1.113 111 F CA 1.443 59.577 58.000 0.224 0.000 1.214 111 F CB -0.287 38.810 39.000 0.163 0.000 0.978 111 F HN -0.264 nan 8.300 nan 0.000 0.474 112 V N 0.459 120.552 119.914 0.299 0.000 2.343 112 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 112 V C 2.351 178.470 176.094 0.043 0.000 1.051 112 V CA 2.237 64.619 62.300 0.137 0.000 1.036 112 V CB -0.778 30.987 31.823 -0.096 0.000 0.654 112 V HN 0.465 nan 8.190 nan 0.000 0.451 113 D N 0.160 120.556 120.400 -0.007 0.000 2.104 113 D HA -0.215 4.425 4.640 -0.000 0.000 0.194 113 D C 2.128 178.428 176.300 0.000 0.000 0.994 113 D CA 1.293 55.276 54.000 -0.029 0.000 0.830 113 D CB 0.072 40.828 40.800 -0.073 0.000 0.959 113 D HN 0.250 nan 8.370 nan 0.000 0.452 114 K N 0.488 120.875 120.400 -0.020 0.000 2.155 114 K HA 0.004 4.323 4.320 -0.000 0.000 0.203 114 K C 2.373 179.070 176.600 0.161 0.000 1.052 114 K CA 0.261 56.518 56.287 -0.051 0.000 0.948 114 K CB -0.317 32.000 32.500 -0.305 0.000 0.728 114 K HN 0.067 nan 8.250 nan 0.000 0.448 115 S N 1.135 116.980 115.700 0.241 0.000 2.356 115 S HA -0.122 4.348 4.470 -0.000 0.000 0.223 115 S C 2.116 176.853 174.600 0.227 0.000 1.032 115 S CA 1.305 59.665 58.200 0.267 0.000 1.005 115 S CB -0.188 63.273 63.200 0.435 0.000 0.867 115 S HN 0.436 nan 8.310 nan 0.000 0.449 116 A N 1.322 124.345 122.820 0.337 0.000 1.902 116 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 116 A C 2.021 179.667 177.584 0.103 0.000 1.181 116 A CA 1.739 53.936 52.037 0.267 0.000 0.623 116 A CB -0.664 18.462 19.000 0.212 0.000 0.818 116 A HN 0.595 nan 8.150 nan 0.000 0.443 117 E N -0.050 120.189 120.200 0.065 0.000 2.118 117 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 117 E C 1.094 177.695 176.600 0.003 0.000 0.992 117 E CA 1.206 57.615 56.400 0.015 0.000 0.804 117 E CB -0.129 29.562 29.700 -0.015 0.000 0.741 117 E HN 0.585 nan 8.360 nan 0.000 0.458 118 N N -0.915 117.793 118.700 0.014 0.000 2.398 118 N HA 0.007 4.747 4.740 -0.000 0.000 0.188 118 N C 0.693 176.160 175.510 -0.072 0.000 1.122 118 N CA 0.913 53.952 53.050 -0.018 0.000 0.866 118 N CB 1.305 39.817 38.487 0.041 0.000 0.970 118 N HN 0.359 nan 8.380 nan 0.000 0.462 119 G N 0.545 109.312 108.800 -0.055 0.000 2.205 119 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.180 119 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.180 119 G C 0.031 174.866 174.900 -0.109 0.000 1.004 119 G CA -0.234 44.821 45.100 -0.075 0.000 0.670 119 G HN 0.211 nan 8.290 nan 0.000 0.496 120 M N 2.155 121.671 119.600 -0.140 0.000 2.239 120 M HA 0.479 4.959 4.480 -0.000 0.000 0.348 120 M C 0.807 177.007 176.300 -0.166 0.000 1.239 120 M CA -0.035 55.106 55.300 -0.265 0.000 1.114 120 M CB 0.617 32.930 32.600 -0.479 0.000 1.641 120 M HN 0.110 nan 8.290 nan 0.000 0.453 121 D N 2.819 123.099 120.400 -0.200 0.000 2.725 121 D HA 0.151 4.791 4.640 -0.000 0.000 0.269 121 D C -0.339 175.973 176.300 0.020 0.000 1.018 121 D CA 0.802 54.766 54.000 -0.060 0.000 0.956 121 D CB 0.390 41.114 40.800 -0.125 0.000 1.141 121 D HN 0.405 nan 8.370 nan 0.000 0.478 122 V N 1.948 121.790 119.914 -0.121 0.000 2.417 122 V HA 0.307 4.426 4.120 -0.000 0.000 0.291 122 V C -0.914 175.169 176.094 -0.019 0.000 1.024 122 V CA -0.620 61.703 62.300 0.038 0.000 0.861 122 V CB 1.381 33.155 31.823 -0.081 0.000 0.985 122 V HN -0.085 nan 8.190 nan 0.000 0.436 123 F N 3.837 123.889 119.950 0.169 0.000 2.361 123 F HA 0.513 5.040 4.527 -0.000 0.000 0.364 123 F C 0.617 176.514 175.800 0.161 0.000 1.117 123 F CA -0.591 57.507 58.000 0.164 0.000 1.071 123 F CB 1.193 40.288 39.000 0.159 0.000 1.188 123 F HN 0.362 nan 8.300 nan 0.000 0.464 124 R N 3.772 124.427 120.500 0.259 0.000 2.248 124 R HA 0.500 4.840 4.340 -0.000 0.000 0.337 124 R C -1.396 175.050 176.300 0.244 0.000 1.106 124 R CA -0.217 56.006 56.100 0.205 0.000 0.959 124 R CB 0.279 30.637 30.300 0.097 0.000 1.075 124 R HN 0.487 nan 8.270 nan 0.000 0.480 125 V N 6.943 126.995 119.914 0.231 0.000 2.465 125 V HA 0.442 4.561 4.120 -0.000 0.000 0.279 125 V C -0.179 176.051 176.094 0.227 0.000 1.045 125 V CA -0.346 62.068 62.300 0.190 0.000 0.938 125 V CB 0.639 32.530 31.823 0.112 0.000 0.986 125 V HN 0.687 nan 8.190 nan 0.000 0.467 126 F N 2.137 122.092 119.950 0.008 0.000 2.643 126 F HA 0.867 5.394 4.527 -0.000 0.000 0.314 126 F C -1.266 174.523 175.800 -0.017 0.000 1.096 126 F CA -1.158 56.843 58.000 0.002 0.000 0.953 126 F CB 2.112 41.111 39.000 -0.002 0.000 1.345 126 F HN 0.443 nan 8.300 nan 0.000 0.468 127 D N 1.185 121.548 120.400 -0.062 0.000 2.787 127 D HA 0.582 5.222 4.640 -0.000 0.000 0.246 127 D C 0.468 176.811 176.300 0.073 0.000 1.150 127 D CA -0.182 53.698 54.000 -0.201 0.000 0.864 127 D CB 2.376 43.130 40.800 -0.077 0.000 1.481 127 D HN 0.891 nan 8.370 nan 0.000 0.509 128 A N 3.929 126.755 122.820 0.010 0.000 1.978 128 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 128 A C 1.676 179.347 177.584 0.144 0.000 1.170 128 A CA 1.208 53.350 52.037 0.174 0.000 0.636 128 A CB -0.358 18.693 19.000 0.086 0.000 0.810 128 A HN 0.697 nan 8.150 nan 0.000 0.448 129 M N -1.351 118.315 119.600 0.110 0.000 2.495 129 M HA 0.107 4.587 4.480 -0.000 0.000 0.237 129 M C 0.013 176.398 176.300 0.141 0.000 1.131 129 M CA 0.173 55.550 55.300 0.127 0.000 1.032 129 M CB -0.574 32.096 32.600 0.117 0.000 1.513 129 M HN 0.432 nan 8.290 nan 0.000 0.488 130 N N 1.986 120.773 118.700 0.145 0.000 2.747 130 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 130 N C -0.371 175.207 175.510 0.112 0.000 1.107 130 N CA 0.714 53.856 53.050 0.154 0.000 0.707 130 N CB -1.209 37.398 38.487 0.201 0.000 1.054 130 N HN 0.419 nan 8.380 nan 0.000 0.555 131 D N 0.268 120.718 120.400 0.083 0.000 2.365 131 D HA 0.241 4.881 4.640 -0.000 0.000 0.237 131 D C -1.420 174.907 176.300 0.045 0.000 1.190 131 D CA -1.954 52.083 54.000 0.061 0.000 0.867 131 D CB 1.024 41.860 40.800 0.059 0.000 1.050 131 D HN 0.068 nan 8.370 nan 0.000 0.491 132 P HA -0.100 nan 4.420 nan 0.000 0.218 132 P C 1.048 178.361 177.300 0.022 0.000 1.146 132 P CA 0.993 64.113 63.100 0.034 0.000 0.813 132 P CB 0.275 31.995 31.700 0.032 0.000 0.778 133 R N -1.011 119.502 120.500 0.022 0.000 2.148 133 R HA -0.014 4.326 4.340 -0.000 0.000 0.227 133 R C 1.468 177.778 176.300 0.018 0.000 1.103 133 R CA 0.903 57.014 56.100 0.019 0.000 0.983 133 R CB -0.620 29.689 30.300 0.015 0.000 0.874 133 R HN 0.236 nan 8.270 nan 0.000 0.451 134 N N 0.044 118.750 118.700 0.009 0.000 2.467 134 N HA 0.015 4.755 4.740 -0.000 0.000 0.184 134 N C 1.286 176.756 175.510 -0.067 0.000 1.106 134 N CA 0.908 53.937 53.050 -0.034 0.000 0.892 134 N CB 0.283 38.734 38.487 -0.060 0.000 0.969 134 N HN 0.291 nan 8.380 nan 0.000 0.454 135 M N -0.787 118.796 119.600 -0.029 0.000 2.514 135 M HA 0.237 4.717 4.480 -0.000 0.000 0.258 135 M C 2.023 178.321 176.300 -0.004 0.000 1.159 135 M CA 0.015 55.300 55.300 -0.025 0.000 1.116 135 M CB 0.195 32.796 32.600 0.002 0.000 1.333 135 M HN 0.006 nan 8.290 nan 0.000 0.487 136 A N 0.518 123.346 122.820 0.013 0.000 1.869 136 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 136 A C 1.871 179.476 177.584 0.036 0.000 1.203 136 A CA 2.494 54.545 52.037 0.023 0.000 0.638 136 A CB -1.123 17.898 19.000 0.035 0.000 0.831 136 A HN 0.513 nan 8.150 nan 0.000 0.450 137 H N -0.473 118.576 119.070 -0.036 0.000 2.357 137 H HA 0.116 4.672 4.556 -0.000 0.000 0.301 137 H C 2.264 177.564 175.328 -0.048 0.000 1.082 137 H CA 1.703 57.728 56.048 -0.037 0.000 1.342 137 H CB -0.353 29.391 29.762 -0.031 0.000 1.389 137 H HN 0.417 nan 8.280 nan 0.000 0.511 138 A N 0.750 123.533 122.820 -0.063 0.000 1.883 138 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 138 A C 2.401 179.891 177.584 -0.156 0.000 1.186 138 A CA 1.894 53.863 52.037 -0.113 0.000 0.624 138 A CB -0.567 18.402 19.000 -0.051 0.000 0.822 138 A HN 0.415 nan 8.150 nan 0.000 0.444 139 M N -0.516 119.024 119.600 -0.100 0.000 2.080 139 M HA -0.200 4.280 4.480 -0.000 0.000 0.260 139 M C 2.552 178.771 176.300 -0.136 0.000 1.068 139 M CA 1.781 57.028 55.300 -0.088 0.000 1.109 139 M CB -1.262 31.312 32.600 -0.043 0.000 1.342 139 M HN 0.515 nan 8.290 nan 0.000 0.405 140 A N 0.196 122.918 122.820 -0.163 0.000 1.933 140 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 140 A C 2.423 179.867 177.584 -0.233 0.000 1.175 140 A CA 1.964 53.894 52.037 -0.178 0.000 0.628 140 A CB -0.827 18.067 19.000 -0.177 0.000 0.814 140 A HN 0.502 nan 8.150 nan 0.000 0.444 141 A N -0.592 122.032 122.820 -0.327 0.000 1.933 141 A HA 0.015 4.334 4.320 -0.000 0.000 0.218 141 A C 2.205 179.625 177.584 -0.273 0.000 1.175 141 A CA 1.708 53.566 52.037 -0.298 0.000 0.628 141 A CB -0.851 17.965 19.000 -0.307 0.000 0.814 141 A HN 0.370 nan 8.150 nan 0.000 0.444 142 V N 0.458 120.179 119.914 -0.322 0.000 2.343 142 V HA -0.226 3.893 4.120 -0.000 0.000 0.247 142 V C 2.501 178.476 176.094 -0.198 0.000 1.051 142 V CA 2.107 64.171 62.300 -0.395 0.000 1.036 142 V CB -0.540 31.050 31.823 -0.387 0.000 0.654 142 V HN 0.433 nan 8.190 nan 0.000 0.451 143 K N 0.400 120.713 120.400 -0.145 0.000 2.057 143 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 143 K C 2.098 178.648 176.600 -0.082 0.000 1.050 143 K CA 1.304 57.536 56.287 -0.092 0.000 0.935 143 K CB -0.441 32.009 32.500 -0.083 0.000 0.715 143 K HN 0.433 nan 8.250 nan 0.000 0.439 144 K N 1.041 121.379 120.400 -0.102 0.000 2.063 144 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 144 K C 1.776 178.335 176.600 -0.067 0.000 1.048 144 K CA 1.378 57.616 56.287 -0.081 0.000 0.928 144 K CB -0.073 32.370 32.500 -0.094 0.000 0.713 144 K HN 0.073 nan 8.250 nan 0.000 0.442 145 A N 0.282 123.051 122.820 -0.085 0.000 2.239 145 A HA 0.136 4.456 4.320 -0.000 0.000 0.209 145 A C 1.264 178.839 177.584 -0.015 0.000 1.171 145 A CA 0.933 52.939 52.037 -0.053 0.000 0.768 145 A CB -0.601 18.356 19.000 -0.072 0.000 0.790 145 A HN 0.603 nan 8.150 nan 0.000 0.478 146 G N -0.741 108.047 108.800 -0.020 0.000 2.179 146 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.257 146 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.257 146 G C 0.213 175.140 174.900 0.046 0.000 1.010 146 G CA 0.743 45.847 45.100 0.006 0.000 0.736 146 G HN 0.447 nan 8.290 nan 0.000 0.513 147 K N -0.581 119.859 120.400 0.066 0.000 2.267 147 K HA 0.487 4.807 4.320 -0.000 0.000 0.236 147 K C 0.010 176.728 176.600 0.197 0.000 1.030 147 K CA -1.035 55.361 56.287 0.181 0.000 0.930 147 K CB 0.556 33.268 32.500 0.353 0.000 1.182 147 K HN 0.385 nan 8.250 nan 0.000 0.474 148 H N -0.252 118.942 119.070 0.206 0.000 2.782 148 H HA 0.389 4.945 4.556 -0.000 0.000 0.285 148 H C -0.915 174.552 175.328 0.232 0.000 1.093 148 H CA -0.320 55.842 56.048 0.191 0.000 1.410 148 H CB 0.578 30.457 29.762 0.196 0.000 1.439 148 H HN 0.548 nan 8.280 nan 0.000 0.469 149 A N 5.277 128.146 122.820 0.081 0.000 2.279 149 A HA 0.181 4.501 4.320 -0.000 0.000 0.306 149 A C -0.233 177.450 177.584 0.166 0.000 1.300 149 A CA -0.649 51.469 52.037 0.134 0.000 0.925 149 A CB 0.352 19.354 19.000 0.003 0.000 1.152 149 A HN 0.864 nan 8.150 nan 0.000 0.544 150 Q N 2.982 122.960 119.800 0.296 0.000 2.431 150 Q HA 0.471 4.810 4.340 -0.000 0.000 0.249 150 Q C 0.327 176.424 176.000 0.161 0.000 1.025 150 Q CA -0.388 55.568 55.803 0.254 0.000 0.835 150 Q CB 0.967 29.886 28.738 0.300 0.000 1.207 150 Q HN 0.856 nan 8.270 nan 0.000 0.490 151 G N 2.412 111.274 108.800 0.103 0.000 2.442 151 G HA2 0.279 4.239 3.960 -0.000 0.000 0.249 151 G HA3 0.279 4.239 3.960 -0.000 0.000 0.249 151 G C -0.499 174.459 174.900 0.096 0.000 1.263 151 G CA -0.048 45.104 45.100 0.086 0.000 0.846 151 G HN 0.546 nan 8.290 nan 0.000 0.555 152 T N 1.798 116.426 114.554 0.124 0.000 2.856 152 T HA 0.474 4.824 4.350 -0.000 0.000 0.283 152 T C 0.031 174.813 174.700 0.137 0.000 1.008 152 T CA -0.182 61.993 62.100 0.125 0.000 0.997 152 T CB 1.434 70.403 68.868 0.168 0.000 0.992 152 T HN 0.322 nan 8.240 nan 0.000 0.454 153 I N 1.992 122.630 120.570 0.113 0.000 2.354 153 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 153 I C -0.109 176.083 176.117 0.126 0.000 1.007 153 I CA -0.635 60.754 61.300 0.149 0.000 1.167 153 I CB 0.932 39.021 38.000 0.147 0.000 1.320 153 I HN 0.575 nan 8.210 nan 0.000 0.458 154 C N 6.523 125.917 119.300 0.156 0.000 2.555 154 C HA 0.125 4.585 4.460 -0.000 0.000 0.385 154 C C 0.261 175.318 174.990 0.111 0.000 1.296 154 C CA -0.335 58.745 59.018 0.104 0.000 1.757 154 C CB -1.083 26.724 27.740 0.110 0.000 2.445 154 C HN 0.515 nan 8.230 nan 0.000 0.571 155 Y N 3.243 123.510 120.300 -0.054 0.000 2.359 155 Y HA 0.499 5.049 4.550 -0.000 0.000 0.330 155 Y C 0.672 176.540 175.900 -0.054 0.000 1.143 155 Y CA 0.920 58.953 58.100 -0.112 0.000 1.318 155 Y CB 0.798 39.148 38.460 -0.184 0.000 1.234 155 Y HN 0.722 nan 8.280 nan 0.000 0.522 156 T N 5.818 119.857 114.554 -0.857 0.000 2.792 156 T HA 0.572 4.922 4.350 -0.000 0.000 0.303 156 T C -1.647 172.621 174.700 -0.721 0.000 1.310 156 T CA -0.730 60.983 62.100 -0.645 0.000 1.007 156 T CB 0.684 69.273 68.868 -0.464 0.000 1.335 156 T HN 0.536 nan 8.240 nan 0.000 0.504 157 I N 3.078 123.440 120.570 -0.345 0.000 2.389 157 I HA 0.631 4.801 4.170 -0.000 0.000 0.288 157 I C -0.196 175.867 176.117 -0.090 0.000 0.999 157 I CA -0.390 60.817 61.300 -0.155 0.000 1.129 157 I CB 1.754 39.759 38.000 0.009 0.000 1.288 157 I HN 0.761 nan 8.210 nan 0.000 0.444 158 S N 5.352 121.016 115.700 -0.061 0.000 2.611 158 S HA 0.492 4.962 4.470 -0.000 0.000 0.268 158 S C -2.600 171.831 174.600 -0.282 0.000 1.156 158 S CA -1.003 57.093 58.200 -0.174 0.000 0.817 158 S CB 1.779 64.897 63.200 -0.137 0.000 1.122 158 S HN 0.266 nan 8.310 nan 0.000 0.466 159 P HA 0.022 nan 4.420 nan 0.000 0.225 159 P C 1.216 178.307 177.300 -0.347 0.000 1.148 159 P CA 1.163 64.024 63.100 -0.398 0.000 0.779 159 P CB -0.100 31.351 31.700 -0.415 0.000 0.780 160 V N -6.288 113.355 119.914 -0.451 0.000 3.605 160 V HA 0.234 4.354 4.120 -0.000 0.000 0.284 160 V C 0.291 176.112 176.094 -0.455 0.000 1.386 160 V CA -0.090 61.995 62.300 -0.357 0.000 1.053 160 V CB -1.294 30.348 31.823 -0.301 0.000 0.857 160 V HN -0.010 nan 8.190 nan 0.000 0.436 161 H N 2.591 121.510 119.070 -0.252 0.000 2.604 161 H HA 0.704 5.260 4.556 -0.000 0.000 0.306 161 H C 0.592 175.780 175.328 -0.233 0.000 1.075 161 H CA 0.879 56.739 56.048 -0.313 0.000 1.357 161 H CB 1.268 30.871 29.762 -0.264 0.000 1.426 161 H HN 0.607 nan 8.280 nan 0.000 0.470 162 T N -1.201 113.205 114.554 -0.246 0.000 2.865 162 T HA 0.231 4.581 4.350 -0.000 0.000 0.294 162 T C 0.971 175.673 174.700 0.002 0.000 1.119 162 T CA -0.862 61.201 62.100 -0.062 0.000 1.007 162 T CB 0.889 69.716 68.868 -0.068 0.000 1.225 162 T HN 0.218 nan 8.240 nan 0.000 0.515 163 V N 1.151 121.160 119.914 0.158 0.000 2.343 163 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 163 V C 2.605 178.789 176.094 0.151 0.000 1.051 163 V CA 2.256 64.701 62.300 0.243 0.000 1.036 163 V CB -1.124 30.799 31.823 0.167 0.000 0.654 163 V HN 0.921 nan 8.190 nan 0.000 0.451 164 E N 0.962 121.197 120.200 0.058 0.000 2.077 164 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 164 E C 2.322 178.929 176.600 0.011 0.000 0.989 164 E CA 1.359 57.778 56.400 0.030 0.000 0.800 164 E CB -0.889 28.811 29.700 0.000 0.000 0.746 164 E HN 0.573 nan 8.360 nan 0.000 0.452 165 G N -0.381 108.370 108.800 -0.082 0.000 2.422 165 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 165 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 165 G C 1.233 176.090 174.900 -0.073 0.000 1.146 165 G CA 0.705 45.714 45.100 -0.152 0.000 0.769 165 G HN 0.287 nan 8.290 nan 0.000 0.547 166 Y N 0.013 120.379 120.300 0.111 0.000 2.220 166 Y HA -0.067 4.482 4.550 -0.000 0.000 0.291 166 Y C 3.022 179.002 175.900 0.134 0.000 1.129 166 Y CA 0.392 58.574 58.100 0.137 0.000 1.161 166 Y CB -0.118 38.440 38.460 0.164 0.000 0.997 166 Y HN 0.038 nan 8.280 nan 0.000 0.522 167 V N 0.719 120.799 119.914 0.278 0.000 2.332 167 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 167 V C 2.340 178.610 176.094 0.293 0.000 1.055 167 V CA 2.132 64.591 62.300 0.267 0.000 1.038 167 V CB -0.537 31.377 31.823 0.151 0.000 0.651 167 V HN 0.358 nan 8.190 nan 0.000 0.450 168 K N -0.125 120.387 120.400 0.187 0.000 2.026 168 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 168 K C 2.247 178.927 176.600 0.134 0.000 1.048 168 K CA 1.659 58.036 56.287 0.151 0.000 0.929 168 K CB -0.215 32.329 32.500 0.074 0.000 0.713 168 K HN 0.421 nan 8.250 nan 0.000 0.439 169 L N 0.553 121.856 121.223 0.134 0.000 2.093 169 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 169 L C 2.424 179.346 176.870 0.087 0.000 1.085 169 L CA 1.315 56.226 54.840 0.118 0.000 0.755 169 L CB -0.430 41.731 42.059 0.170 0.000 0.904 169 L HN 0.345 nan 8.230 nan 0.000 0.435 170 A N -0.088 122.798 122.820 0.111 0.000 1.908 170 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 170 A C 2.282 179.735 177.584 -0.218 0.000 1.181 170 A CA 1.744 53.783 52.037 0.003 0.000 0.627 170 A CB -1.317 17.739 19.000 0.094 0.000 0.818 170 A HN 0.513 nan 8.150 nan 0.000 0.445 171 G N -0.920 107.750 108.800 -0.217 0.000 2.418 171 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 171 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 171 G C 1.589 176.395 174.900 -0.156 0.000 1.158 171 G CA 0.986 45.865 45.100 -0.368 0.000 0.771 171 G HN 0.662 nan 8.290 nan 0.000 0.545 172 Q N -0.242 119.531 119.800 -0.045 0.000 2.124 172 Q HA 0.063 4.403 4.340 -0.000 0.000 0.202 172 Q C 2.616 178.593 176.000 -0.038 0.000 0.977 172 Q CA 0.738 56.529 55.803 -0.020 0.000 0.850 172 Q CB -0.230 28.517 28.738 0.014 0.000 0.901 172 Q HN 0.437 nan 8.270 nan 0.000 0.429 173 L N 0.202 121.396 121.223 -0.049 0.000 2.056 173 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 173 L C 2.258 179.082 176.870 -0.077 0.000 1.078 173 L CA 0.904 55.719 54.840 -0.041 0.000 0.749 173 L CB -0.366 41.680 42.059 -0.021 0.000 0.901 173 L HN 0.259 nan 8.230 nan 0.000 0.433 174 L N -0.455 120.681 121.223 -0.146 0.000 2.131 174 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 174 L C 1.978 178.787 176.870 -0.102 0.000 1.092 174 L CA 0.886 55.632 54.840 -0.155 0.000 0.759 174 L CB -0.588 41.304 42.059 -0.279 0.000 0.903 174 L HN 0.284 nan 8.230 nan 0.000 0.435 175 D N -0.162 120.185 120.400 -0.088 0.000 2.310 175 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 175 D C 1.891 178.170 176.300 -0.035 0.000 0.965 175 D CA 1.140 55.111 54.000 -0.048 0.000 0.879 175 D CB 0.037 40.819 40.800 -0.030 0.000 0.921 175 D HN 0.386 nan 8.370 nan 0.000 0.510 176 M N -0.939 118.639 119.600 -0.037 0.000 2.453 176 M HA 0.215 4.695 4.480 -0.000 0.000 0.239 176 M C 0.896 177.173 176.300 -0.038 0.000 1.151 176 M CA 0.122 55.405 55.300 -0.028 0.000 0.989 176 M CB 0.840 33.428 32.600 -0.019 0.000 1.548 176 M HN 0.006 nan 8.290 nan 0.000 0.479 177 G N 1.150 109.922 108.800 -0.045 0.000 2.137 177 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.237 177 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.237 177 G C 0.151 175.014 174.900 -0.063 0.000 1.002 177 G CA -0.006 45.062 45.100 -0.052 0.000 0.702 177 G HN 0.708 nan 8.290 nan 0.000 0.515 178 A N 0.026 122.810 122.820 -0.059 0.000 2.546 178 A HA 0.467 4.787 4.320 -0.000 0.000 0.243 178 A C 1.258 178.789 177.584 -0.089 0.000 1.063 178 A CA 0.894 52.898 52.037 -0.056 0.000 0.757 178 A CB 0.276 19.254 19.000 -0.036 0.000 0.991 178 A HN 0.298 nan 8.150 nan 0.000 0.503 179 D N 0.383 120.687 120.400 -0.160 0.000 2.289 179 D HA 0.028 4.668 4.640 -0.000 0.000 0.207 179 D C 0.652 176.883 176.300 -0.115 0.000 0.966 179 D CA 1.679 55.513 54.000 -0.277 0.000 0.868 179 D CB 0.184 40.509 40.800 -0.792 0.000 0.943 179 D HN 0.707 nan 8.370 nan 0.000 0.514 180 S N -0.558 115.155 115.700 0.022 0.000 2.611 180 S HA 0.481 4.951 4.470 -0.000 0.000 0.268 180 S C -1.288 173.354 174.600 0.071 0.000 1.156 180 S CA -0.989 57.276 58.200 0.108 0.000 0.817 180 S CB 1.899 65.265 63.200 0.277 0.000 1.122 180 S HN -0.119 nan 8.310 nan 0.000 0.466 181 I N 1.420 122.006 120.570 0.027 0.000 2.433 181 I HA 0.663 4.833 4.170 -0.000 0.000 0.292 181 I C 0.251 176.374 176.117 0.011 0.000 1.001 181 I CA -0.729 60.583 61.300 0.020 0.000 1.119 181 I CB 1.182 39.183 38.000 0.002 0.000 1.289 181 I HN 1.020 nan 8.210 nan 0.000 0.438 182 A N 6.837 129.675 122.820 0.030 0.000 2.276 182 A HA 0.629 4.949 4.320 -0.000 0.000 0.316 182 A C -0.804 176.787 177.584 0.012 0.000 1.229 182 A CA -0.496 51.549 52.037 0.013 0.000 0.851 182 A CB 0.880 19.893 19.000 0.021 0.000 1.165 182 A HN 0.571 nan 8.150 nan 0.000 0.513 183 L N 2.666 123.884 121.223 -0.008 0.000 2.264 183 L HA 0.531 4.871 4.340 -0.000 0.000 0.287 183 L C 0.014 176.892 176.870 0.012 0.000 1.039 183 L CA 0.086 54.913 54.840 -0.021 0.000 0.829 183 L CB 0.621 42.631 42.059 -0.082 0.000 1.211 183 L HN 0.636 nan 8.230 nan 0.000 0.427 184 K N 3.450 123.873 120.400 0.038 0.000 2.559 184 K HA 0.335 4.655 4.320 -0.000 0.000 0.249 184 K C -1.264 175.393 176.600 0.096 0.000 0.958 184 K CA -0.434 55.891 56.287 0.063 0.000 0.901 184 K CB 0.853 33.317 32.500 -0.061 0.000 1.124 184 K HN 0.518 nan 8.250 nan 0.000 0.437 185 D N 5.582 126.071 120.400 0.148 0.000 2.485 185 D HA 0.084 4.723 4.640 -0.000 0.000 0.256 185 D C 0.741 177.095 176.300 0.090 0.000 1.141 185 D CA -0.314 53.761 54.000 0.124 0.000 0.942 185 D CB 0.829 41.667 40.800 0.064 0.000 1.003 185 D HN 0.668 nan 8.370 nan 0.000 0.507 186 M N 2.062 121.644 119.600 -0.031 0.000 2.319 186 M HA 0.010 4.490 4.480 -0.000 0.000 0.265 186 M C 0.922 176.982 176.300 -0.401 0.000 1.068 186 M CA 1.032 56.136 55.300 -0.327 0.000 1.118 186 M CB 0.292 32.711 32.600 -0.302 0.000 1.395 186 M HN 0.358 nan 8.290 nan 0.000 0.435 187 A N -0.281 122.437 122.820 -0.170 0.000 2.423 187 A HA 0.550 4.870 4.320 -0.000 0.000 0.246 187 A C 1.061 178.572 177.584 -0.122 0.000 1.278 187 A CA 0.597 52.536 52.037 -0.164 0.000 0.903 187 A CB -0.531 18.389 19.000 -0.132 0.000 0.997 187 A HN 0.820 nan 8.150 nan 0.000 0.510 188 A N -1.177 121.614 122.820 -0.049 0.000 2.846 188 A HA -0.168 4.151 4.320 -0.000 0.000 0.287 188 A C 0.893 178.490 177.584 0.022 0.000 1.469 188 A CA 1.150 53.185 52.037 -0.003 0.000 0.757 188 A CB -2.379 16.607 19.000 -0.024 0.000 1.033 188 A HN 0.619 nan 8.150 nan 0.000 0.516 189 L N -1.500 119.784 121.223 0.102 0.000 2.509 189 L HA 0.180 4.520 4.340 -0.000 0.000 0.222 189 L C 1.052 178.211 176.870 0.482 0.000 1.123 189 L CA 0.151 55.146 54.840 0.259 0.000 0.856 189 L CB 0.104 42.309 42.059 0.244 0.000 0.985 189 L HN 0.606 nan 8.230 nan 0.000 0.456 190 L N 1.663 123.007 121.223 0.202 0.000 2.385 190 L HA 0.127 4.467 4.340 -0.000 0.000 0.281 190 L C 0.292 177.161 176.870 -0.002 0.000 1.106 190 L CA 0.427 55.179 54.840 -0.147 0.000 0.856 190 L CB -0.049 41.705 42.059 -0.510 0.000 1.186 190 L HN -0.028 nan 8.230 nan 0.000 0.453 191 K N 5.935 126.352 120.400 0.030 0.000 2.098 191 K HA 0.317 4.637 4.320 -0.000 0.000 0.244 191 K C -1.727 174.851 176.600 -0.037 0.000 1.014 191 K CA -1.460 54.823 56.287 -0.007 0.000 0.917 191 K CB 0.477 32.938 32.500 -0.066 0.000 1.072 191 K HN 0.322 nan 8.250 nan 0.000 0.477 192 P HA -0.235 nan 4.420 nan 0.000 0.214 192 P C 1.193 178.495 177.300 0.004 0.000 1.163 192 P CA 1.385 64.472 63.100 -0.021 0.000 0.889 192 P CB 0.263 31.947 31.700 -0.028 0.000 0.790 193 Q N -0.661 119.136 119.800 -0.005 0.000 2.050 193 Q HA -0.107 4.232 4.340 -0.000 0.000 0.202 193 Q C -0.633 175.412 176.000 0.075 0.000 0.980 193 Q CA 2.507 58.324 55.803 0.024 0.000 0.840 193 Q CB -1.998 26.739 28.738 -0.002 0.000 0.898 193 Q HN 0.190 nan 8.270 nan 0.000 0.424 194 P HA -0.110 nan 4.420 nan 0.000 0.217 194 P C 0.580 177.874 177.300 -0.010 0.000 1.150 194 P CA 1.977 65.109 63.100 0.053 0.000 0.832 194 P CB -0.259 31.483 31.700 0.071 0.000 0.787 195 A N -1.235 121.550 122.820 -0.058 0.000 1.877 195 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 195 A C 2.300 179.871 177.584 -0.022 0.000 1.186 195 A CA 1.620 53.597 52.037 -0.099 0.000 0.620 195 A CB -1.929 17.014 19.000 -0.094 0.000 0.822 195 A HN 0.180 nan 8.150 nan 0.000 0.443 196 Y N 1.101 121.359 120.300 -0.069 0.000 2.114 196 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 196 Y C 1.971 177.855 175.900 -0.026 0.000 1.143 196 Y CA 2.202 60.274 58.100 -0.046 0.000 1.135 196 Y CB -0.195 38.245 38.460 -0.033 0.000 0.980 196 Y HN 0.355 nan 8.280 nan 0.000 0.499 197 D N 0.340 120.850 120.400 0.184 0.000 2.117 197 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 197 D C 2.267 178.575 176.300 0.013 0.000 0.987 197 D CA 1.953 56.020 54.000 0.112 0.000 0.829 197 D CB -0.372 40.519 40.800 0.150 0.000 0.961 197 D HN 0.470 nan 8.370 nan 0.000 0.460 198 I N 0.663 121.242 120.570 0.016 0.000 2.202 198 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 198 I C 2.224 178.321 176.117 -0.035 0.000 1.091 198 I CA 0.494 61.808 61.300 0.023 0.000 1.368 198 I CB -0.040 37.960 38.000 -0.001 0.000 1.058 198 I HN -0.039 nan 8.210 nan 0.000 0.410 199 I N 0.885 121.395 120.570 -0.100 0.000 2.208 199 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 199 I C 2.516 178.545 176.117 -0.148 0.000 1.097 199 I CA 1.587 62.814 61.300 -0.122 0.000 1.363 199 I CB -1.123 36.781 38.000 -0.161 0.000 1.051 199 I HN 0.216 nan 8.210 nan 0.000 0.413 200 K N 1.585 121.837 120.400 -0.248 0.000 2.057 200 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 200 K C 2.115 178.639 176.600 -0.128 0.000 1.050 200 K CA 1.643 57.770 56.287 -0.266 0.000 0.935 200 K CB -0.406 31.817 32.500 -0.462 0.000 0.715 200 K HN 0.235 nan 8.250 nan 0.000 0.439 201 A N 0.505 123.278 122.820 -0.077 0.000 1.930 201 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 201 A C 2.217 179.784 177.584 -0.029 0.000 1.175 201 A CA 1.535 53.551 52.037 -0.035 0.000 0.627 201 A CB -0.593 18.413 19.000 0.011 0.000 0.815 201 A HN 0.331 nan 8.150 nan 0.000 0.443 202 I N -0.714 119.867 120.570 0.018 0.000 2.252 202 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 202 I C 2.325 178.490 176.117 0.080 0.000 1.102 202 I CA 1.084 62.449 61.300 0.109 0.000 1.385 202 I CB -0.257 37.825 38.000 0.136 0.000 1.064 202 I HN 0.170 nan 8.210 nan 0.000 0.414 203 K N 0.660 121.065 120.400 0.008 0.000 2.057 203 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 203 K C 1.624 178.208 176.600 -0.026 0.000 1.050 203 K CA 1.376 57.660 56.287 -0.005 0.000 0.935 203 K CB -0.479 31.994 32.500 -0.047 0.000 0.715 203 K HN 0.307 nan 8.250 nan 0.000 0.439 204 D N 0.023 120.388 120.400 -0.059 0.000 2.183 204 D HA -0.067 4.573 4.640 -0.000 0.000 0.203 204 D C 1.692 177.923 176.300 -0.115 0.000 0.969 204 D CA 1.115 55.074 54.000 -0.070 0.000 0.842 204 D CB -0.016 40.744 40.800 -0.066 0.000 0.957 204 D HN 0.173 nan 8.370 nan 0.000 0.484 205 T N -0.703 113.731 114.554 -0.200 0.000 2.894 205 T HA -0.055 4.295 4.350 -0.000 0.000 0.258 205 T C 1.364 175.742 174.700 -0.537 0.000 1.043 205 T CA 0.728 62.572 62.100 -0.427 0.000 1.141 205 T CB -0.092 68.377 68.868 -0.663 0.000 0.873 205 T HN 0.252 nan 8.240 nan 0.000 0.449 206 Y N 0.660 120.959 120.300 -0.000 0.000 2.481 206 Y HA 0.477 5.027 4.550 -0.000 0.000 0.247 206 Y C 1.280 177.178 175.900 -0.003 0.000 1.151 206 Y CA -0.224 57.877 58.100 0.001 0.000 1.238 206 Y CB 0.821 39.283 38.460 0.004 0.000 1.179 206 Y HN 0.324 nan 8.280 nan 0.000 0.524 207 G N 0.453 109.302 108.800 0.082 0.000 2.650 207 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 207 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 207 G C -0.065 174.861 174.900 0.044 0.000 1.205 207 G CA -0.779 44.352 45.100 0.052 0.000 0.781 207 G HN -0.050 nan 8.290 nan 0.000 0.648 208 Q N 0.455 120.268 119.800 0.022 0.000 2.291 208 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 208 Q C 2.564 178.572 176.000 0.014 0.000 0.976 208 Q CA 2.015 57.824 55.803 0.011 0.000 0.875 208 Q CB -0.221 28.522 28.738 0.008 0.000 0.927 208 Q HN 0.941 nan 8.270 nan 0.000 0.450 209 K N -0.024 120.391 120.400 0.024 0.000 2.362 209 K HA 0.011 4.331 4.320 -0.000 0.000 0.200 209 K C 0.203 176.816 176.600 0.021 0.000 1.046 209 K CA 0.596 56.897 56.287 0.023 0.000 0.952 209 K CB -0.224 32.293 32.500 0.028 0.000 0.753 209 K HN -0.166 nan 8.250 nan 0.000 0.466 210 T N 2.864 117.436 114.554 0.031 0.000 2.761 210 T HA -0.045 4.305 4.350 -0.000 0.000 0.287 210 T C -0.387 174.311 174.700 -0.003 0.000 0.931 210 T CA -0.006 62.109 62.100 0.026 0.000 1.164 210 T CB 0.810 69.720 68.868 0.069 0.000 0.876 210 T HN 0.280 nan 8.240 nan 0.000 0.534 211 Q N 4.059 123.851 119.800 -0.014 0.000 2.288 211 Q HA 0.402 4.741 4.340 -0.000 0.000 0.258 211 Q C -0.913 175.048 176.000 -0.064 0.000 0.957 211 Q CA -0.264 55.507 55.803 -0.053 0.000 0.919 211 Q CB 0.363 29.075 28.738 -0.045 0.000 1.185 211 Q HN 0.647 nan 8.270 nan 0.000 0.408 212 I N 4.026 124.535 120.570 -0.101 0.000 2.436 212 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 212 I C -0.534 175.493 176.117 -0.150 0.000 1.010 212 I CA -0.708 60.535 61.300 -0.095 0.000 1.098 212 I CB 1.920 39.875 38.000 -0.075 0.000 1.266 212 I HN 0.604 nan 8.210 nan 0.000 0.434 213 N N 5.928 124.546 118.700 -0.137 0.000 2.392 213 N HA 0.457 5.196 4.740 -0.000 0.000 0.283 213 N C -1.322 174.139 175.510 -0.082 0.000 1.003 213 N CA -0.747 52.211 53.050 -0.154 0.000 0.892 213 N CB 2.749 41.137 38.487 -0.166 0.000 1.193 213 N HN 0.269 nan 8.380 nan 0.000 0.487 214 L N 2.800 123.976 121.223 -0.078 0.000 2.272 214 L HA 0.290 4.630 4.340 -0.000 0.000 0.289 214 L C -0.756 176.114 176.870 0.001 0.000 1.032 214 L CA -0.473 54.336 54.840 -0.051 0.000 0.810 214 L CB 0.411 42.417 42.059 -0.088 0.000 1.205 214 L HN 0.562 nan 8.230 nan 0.000 0.422 215 H N 4.523 123.557 119.070 -0.061 0.000 2.718 215 H HA 0.530 5.086 4.556 -0.000 0.000 0.295 215 H C -1.317 174.029 175.328 0.029 0.000 1.051 215 H CA -0.333 55.699 56.048 -0.028 0.000 1.260 215 H CB 0.643 30.390 29.762 -0.025 0.000 1.403 215 H HN 0.750 nan 8.280 nan 0.000 0.488 216 C N 5.326 124.497 119.300 -0.216 0.000 2.455 216 C HA 0.352 4.812 4.460 -0.000 0.000 0.320 216 C C 0.194 175.110 174.990 -0.123 0.000 1.226 216 C CA -0.692 58.263 59.018 -0.104 0.000 1.569 216 C CB 0.696 28.392 27.740 -0.073 0.000 2.200 216 C HN 0.884 nan 8.230 nan 0.000 0.491 217 H N 0.819 119.769 119.070 -0.200 0.000 2.534 217 H HA 0.210 4.766 4.556 -0.000 0.000 0.364 217 H C 0.752 175.973 175.328 -0.179 0.000 1.328 217 H CA 0.270 56.152 56.048 -0.277 0.000 1.415 217 H CB 1.180 30.768 29.762 -0.291 0.000 1.573 217 H HN 0.731 nan 8.280 nan 0.000 0.601 218 S N -0.866 114.782 115.700 -0.086 0.000 2.593 218 S HA 0.008 4.478 4.470 -0.000 0.000 0.236 218 S C 1.277 175.858 174.600 -0.033 0.000 0.991 218 S CA -0.222 57.948 58.200 -0.050 0.000 0.963 218 S CB -0.023 63.140 63.200 -0.062 0.000 0.865 218 S HN 0.547 nan 8.310 nan 0.000 0.488 219 T N 3.305 117.837 114.554 -0.036 0.000 2.653 219 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 219 T C 2.071 176.744 174.700 -0.045 0.000 1.035 219 T CA 2.497 64.568 62.100 -0.048 0.000 1.154 219 T CB -1.001 67.823 68.868 -0.074 0.000 0.862 219 T HN 0.826 nan 8.240 nan 0.000 0.441 220 T N -1.514 113.015 114.554 -0.042 0.000 3.100 220 T HA 0.409 4.758 4.350 -0.000 0.000 0.253 220 T C 1.809 176.556 174.700 0.078 0.000 1.118 220 T CA 0.726 62.822 62.100 -0.007 0.000 1.058 220 T CB -0.115 68.733 68.868 -0.034 0.000 0.953 220 T HN 0.626 nan 8.240 nan 0.000 0.515 221 G N 0.971 109.801 108.800 0.050 0.000 2.148 221 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 221 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 221 G C 0.807 175.746 174.900 0.064 0.000 0.981 221 G CA 0.671 45.801 45.100 0.050 0.000 0.670 221 G HN 1.442 nan 8.290 nan 0.000 0.528 222 V N -2.475 117.497 119.914 0.096 0.000 3.605 222 V HA 0.338 4.458 4.120 -0.000 0.000 0.284 222 V C 2.262 178.386 176.094 0.049 0.000 1.386 222 V CA 1.816 64.163 62.300 0.079 0.000 1.053 222 V CB -0.001 31.890 31.823 0.115 0.000 0.857 222 V HN 0.809 nan 8.190 nan 0.000 0.436 223 T N -2.373 112.206 114.554 0.041 0.000 3.035 223 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 223 T C 1.588 176.282 174.700 -0.011 0.000 1.109 223 T CA 1.519 63.624 62.100 0.009 0.000 1.119 223 T CB -0.254 68.612 68.868 -0.003 0.000 0.900 223 T HN 0.660 nan 8.240 nan 0.000 0.503 224 E N 0.605 120.802 120.200 -0.004 0.000 2.208 224 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 224 E C 1.878 178.473 176.600 -0.008 0.000 0.988 224 E CA 0.577 56.972 56.400 -0.008 0.000 0.828 224 E CB -0.056 29.644 29.700 0.001 0.000 0.763 224 E HN 0.431 nan 8.360 nan 0.000 0.478 225 V N 0.338 120.250 119.914 -0.003 0.000 2.548 225 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 225 V C 2.213 178.299 176.094 -0.013 0.000 1.055 225 V CA 1.619 63.916 62.300 -0.006 0.000 1.065 225 V CB -0.146 31.674 31.823 -0.005 0.000 0.681 225 V HN 0.224 nan 8.190 nan 0.000 0.462 226 S N 0.261 115.949 115.700 -0.019 0.000 2.382 226 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 226 S C 1.892 176.466 174.600 -0.044 0.000 1.027 226 S CA 1.225 59.405 58.200 -0.033 0.000 0.991 226 S CB -0.318 62.853 63.200 -0.050 0.000 0.823 226 S HN 0.344 nan 8.310 nan 0.000 0.469 227 L N 0.916 122.111 121.223 -0.047 0.000 2.017 227 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 227 L C 2.391 179.224 176.870 -0.062 0.000 1.073 227 L CA 1.603 56.407 54.840 -0.060 0.000 0.745 227 L CB -0.754 41.274 42.059 -0.052 0.000 0.894 227 L HN 0.302 nan 8.230 nan 0.000 0.432 228 M N -1.016 118.561 119.600 -0.039 0.000 2.108 228 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 228 M C 2.095 178.378 176.300 -0.029 0.000 1.066 228 M CA 1.734 57.013 55.300 -0.035 0.000 1.107 228 M CB -0.306 32.293 32.600 -0.001 0.000 1.356 228 M HN -0.054 nan 8.290 nan 0.000 0.406 229 K N 0.118 120.519 120.400 0.002 0.000 2.057 229 K HA 0.007 4.327 4.320 -0.000 0.000 0.207 229 K C 2.079 178.723 176.600 0.073 0.000 1.049 229 K CA 1.547 57.877 56.287 0.071 0.000 0.931 229 K CB -1.052 31.494 32.500 0.076 0.000 0.714 229 K HN 0.489 nan 8.250 nan 0.000 0.440 230 A N 1.274 124.081 122.820 -0.022 0.000 1.933 230 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 230 A C 2.272 179.776 177.584 -0.134 0.000 1.175 230 A CA 1.227 53.215 52.037 -0.082 0.000 0.628 230 A CB -0.541 18.396 19.000 -0.105 0.000 0.814 230 A HN 0.211 nan 8.150 nan 0.000 0.444 231 I N -0.456 120.007 120.570 -0.177 0.000 2.315 231 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 231 I C 2.381 178.264 176.117 -0.390 0.000 1.117 231 I CA 1.456 62.552 61.300 -0.341 0.000 1.404 231 I CB -0.400 37.325 38.000 -0.458 0.000 1.071 231 I HN 0.424 nan 8.210 nan 0.000 0.419 232 E N 0.950 121.039 120.200 -0.185 0.000 2.150 232 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 232 E C 2.139 178.785 176.600 0.077 0.000 0.985 232 E CA 1.148 57.574 56.400 0.043 0.000 0.814 232 E CB -0.144 29.682 29.700 0.211 0.000 0.752 232 E HN 0.499 nan 8.360 nan 0.000 0.466 233 A N 0.243 123.030 122.820 -0.055 0.000 2.206 233 A HA 0.223 4.543 4.320 -0.000 0.000 0.211 233 A C 1.684 179.143 177.584 -0.208 0.000 1.158 233 A CA 0.876 52.712 52.037 -0.335 0.000 0.761 233 A CB -0.124 18.556 19.000 -0.533 0.000 0.801 233 A HN 0.336 nan 8.150 nan 0.000 0.473 234 G N -1.609 107.104 108.800 -0.144 0.000 2.138 234 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.193 234 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.193 234 G C 0.252 175.078 174.900 -0.123 0.000 0.998 234 G CA 0.036 45.069 45.100 -0.111 0.000 0.668 234 G HN 1.044 nan 8.290 nan 0.000 0.516 235 V N 0.780 120.604 119.914 -0.150 0.000 2.763 235 V HA 0.217 4.337 4.120 -0.000 0.000 0.306 235 V C 1.388 177.393 176.094 -0.149 0.000 1.059 235 V CA 1.138 63.352 62.300 -0.143 0.000 1.138 235 V CB 0.792 32.528 31.823 -0.145 0.000 0.940 235 V HN 0.383 nan 8.190 nan 0.000 0.489 236 D N 3.709 124.013 120.400 -0.160 0.000 2.183 236 D HA 0.075 4.715 4.640 -0.000 0.000 0.205 236 D C 0.004 176.162 176.300 -0.236 0.000 0.962 236 D CA 1.119 55.006 54.000 -0.188 0.000 0.849 236 D CB 0.678 41.346 40.800 -0.221 0.000 0.978 236 D HN 0.375 nan 8.370 nan 0.000 0.488 237 V N 1.142 120.901 119.914 -0.258 0.000 2.888 237 V HA 0.305 4.425 4.120 -0.000 0.000 0.309 237 V C -0.437 175.563 176.094 -0.158 0.000 1.114 237 V CA -0.956 61.195 62.300 -0.248 0.000 0.940 237 V CB 2.732 34.285 31.823 -0.451 0.000 1.021 237 V HN -0.013 nan 8.190 nan 0.000 0.426 238 V N -0.560 119.295 119.914 -0.098 0.000 2.823 238 V HA 0.786 4.905 4.120 -0.000 0.000 0.312 238 V C -1.110 174.953 176.094 -0.052 0.000 1.072 238 V CA -0.736 61.519 62.300 -0.075 0.000 0.937 238 V CB 2.148 33.927 31.823 -0.074 0.000 1.013 238 V HN 0.736 nan 8.190 nan 0.000 0.430 239 D N 2.799 123.162 120.400 -0.060 0.000 2.198 239 D HA 0.706 5.345 4.640 -0.000 0.000 0.245 239 D C 0.396 176.605 176.300 -0.151 0.000 1.079 239 D CA 0.203 54.150 54.000 -0.088 0.000 0.854 239 D CB 1.883 42.667 40.800 -0.026 0.000 1.148 239 D HN 1.100 nan 8.370 nan 0.000 0.456 240 T N -1.974 112.479 114.554 -0.168 0.000 2.812 240 T HA 0.850 5.199 4.350 -0.000 0.000 0.294 240 T C -1.021 173.551 174.700 -0.213 0.000 1.159 240 T CA -1.088 60.925 62.100 -0.144 0.000 1.008 240 T CB 1.727 70.565 68.868 -0.050 0.000 1.289 240 T HN 0.300 nan 8.240 nan 0.000 0.514 241 A N 1.009 123.745 122.820 -0.141 0.000 2.371 241 A HA 0.734 5.054 4.320 -0.000 0.000 0.311 241 A C -0.279 177.260 177.584 -0.075 0.000 1.068 241 A CA -0.835 51.109 52.037 -0.155 0.000 0.744 241 A CB 0.682 19.621 19.000 -0.102 0.000 1.239 241 A HN 0.985 nan 8.150 nan 0.000 0.435 242 I N 2.357 122.878 120.570 -0.082 0.000 2.948 242 I HA -0.120 4.049 4.170 -0.000 0.000 0.303 242 I C 1.942 178.068 176.117 0.015 0.000 1.224 242 I CA 1.474 62.778 61.300 0.007 0.000 1.442 242 I CB 0.743 38.766 38.000 0.038 0.000 1.328 242 I HN 0.879 nan 8.210 nan 0.000 0.578 243 S N 3.219 118.949 115.700 0.050 0.000 2.402 243 S HA -0.221 4.249 4.470 -0.000 0.000 0.233 243 S C 1.619 176.245 174.600 0.044 0.000 1.030 243 S CA 1.324 59.552 58.200 0.047 0.000 1.003 243 S CB -0.944 62.294 63.200 0.064 0.000 0.813 243 S HN 0.846 nan 8.310 nan 0.000 0.477 244 S N 0.292 116.028 115.700 0.061 0.000 2.607 244 S HA 0.295 4.765 4.470 -0.000 0.000 0.224 244 S C 0.865 175.500 174.600 0.058 0.000 0.969 244 S CA 0.040 58.283 58.200 0.072 0.000 0.927 244 S CB -0.284 62.983 63.200 0.111 0.000 0.772 244 S HN 0.438 nan 8.310 nan 0.000 0.533 245 M N 2.503 122.110 119.600 0.013 0.000 3.189 245 M HA 0.353 4.832 4.480 -0.000 0.000 0.365 245 M C -0.348 175.937 176.300 -0.026 0.000 1.447 245 M CA -0.022 55.261 55.300 -0.030 0.000 0.739 245 M CB 0.286 32.799 32.600 -0.145 0.000 1.411 245 M HN 0.440 nan 8.290 nan 0.000 0.494 246 S N -0.481 115.217 115.700 -0.004 0.000 2.732 246 S HA 0.942 5.412 4.470 -0.000 0.000 0.293 246 S C 0.029 174.621 174.600 -0.012 0.000 1.159 246 S CA -0.755 57.442 58.200 -0.005 0.000 0.847 246 S CB 2.311 65.512 63.200 0.002 0.000 1.169 246 S HN 0.463 nan 8.310 nan 0.000 0.501 247 L N -0.570 120.635 121.223 -0.029 0.000 1.485 247 L HA 0.045 4.385 4.340 -0.000 0.000 0.352 247 L C 1.143 177.985 176.870 -0.046 0.000 1.031 247 L CA 0.459 55.279 54.840 -0.033 0.000 1.221 247 L CB -1.625 40.429 42.059 -0.009 0.000 0.496 247 L HN 1.985 nan 8.230 nan 0.000 0.226 248 G N -0.502 108.279 108.800 -0.033 0.000 2.564 248 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.273 248 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.273 248 G C -2.049 172.820 174.900 -0.052 0.000 1.242 248 G CA 0.273 45.355 45.100 -0.030 0.000 0.951 248 G HN 0.578 nan 8.290 nan 0.000 0.564 249 P HA 0.158 nan 4.420 nan 0.000 0.239 249 P C 1.461 178.716 177.300 -0.075 0.000 1.184 249 P CA 1.700 64.778 63.100 -0.036 0.000 0.760 249 P CB -0.184 31.506 31.700 -0.017 0.000 0.884 250 G N -0.862 107.826 108.800 -0.187 0.000 3.022 250 G HA2 0.173 4.133 3.960 -0.000 0.000 0.157 250 G HA3 0.173 4.133 3.960 -0.000 0.000 0.157 250 G C -0.529 173.848 174.900 -0.871 0.000 1.691 250 G CA 0.040 44.868 45.100 -0.453 0.000 1.079 250 G HN 0.175 nan 8.290 nan 0.000 0.549 251 H N -2.029 116.899 119.070 -0.235 0.000 2.906 251 H HA 0.397 4.953 4.556 -0.000 0.000 0.337 251 H C -0.597 174.640 175.328 -0.152 0.000 1.257 251 H CA -0.811 55.076 56.048 -0.267 0.000 1.192 251 H CB 0.699 30.244 29.762 -0.362 0.000 1.912 251 H HN 0.422 nan 8.280 nan 0.000 0.573 252 N N 1.426 120.123 118.700 -0.005 0.000 2.482 252 N HA 0.184 4.924 4.740 -0.000 0.000 0.260 252 N C -2.642 172.867 175.510 -0.001 0.000 1.236 252 N CA -1.226 51.818 53.050 -0.010 0.000 0.938 252 N CB 0.399 38.876 38.487 -0.018 0.000 1.128 252 N HN 0.316 nan 8.380 nan 0.000 0.448 253 P HA 0.081 nan 4.420 nan 0.000 0.276 253 P C 0.212 177.533 177.300 0.034 0.000 1.235 253 P CA -0.135 62.979 63.100 0.022 0.000 0.772 253 P CB 0.808 32.529 31.700 0.034 0.000 0.871 254 T N 2.003 116.581 114.554 0.040 0.000 2.635 254 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 254 T C 1.298 176.051 174.700 0.089 0.000 1.040 254 T CA 1.817 63.959 62.100 0.070 0.000 1.156 254 T CB -0.533 68.405 68.868 0.117 0.000 0.863 254 T HN 0.517 nan 8.240 nan 0.000 0.430 255 E N 1.026 121.292 120.200 0.111 0.000 2.110 255 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 255 E C 2.582 179.278 176.600 0.160 0.000 0.988 255 E CA 1.174 57.675 56.400 0.168 0.000 0.804 255 E CB -0.264 29.549 29.700 0.189 0.000 0.745 255 E HN 0.286 nan 8.360 nan 0.000 0.458 256 S N 0.041 115.803 115.700 0.104 0.000 2.356 256 S HA -0.124 4.345 4.470 -0.000 0.000 0.223 256 S C 2.131 176.777 174.600 0.077 0.000 1.032 256 S CA 1.015 59.263 58.200 0.081 0.000 1.005 256 S CB -0.222 63.011 63.200 0.054 0.000 0.867 256 S HN 0.059 nan 8.310 nan 0.000 0.449 257 V N 1.840 121.792 119.914 0.064 0.000 2.427 257 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 257 V C 2.547 178.685 176.094 0.073 0.000 1.051 257 V CA 1.596 63.926 62.300 0.050 0.000 1.048 257 V CB -1.092 30.747 31.823 0.026 0.000 0.666 257 V HN 0.531 nan 8.190 nan 0.000 0.456 258 A N -0.545 122.335 122.820 0.100 0.000 1.897 258 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 258 A C 2.214 179.926 177.584 0.213 0.000 1.181 258 A CA 1.332 53.445 52.037 0.128 0.000 0.620 258 A CB -0.336 18.710 19.000 0.077 0.000 0.821 258 A HN 0.504 nan 8.150 nan 0.000 0.443 259 E N 0.175 120.511 120.200 0.226 0.000 2.106 259 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 259 E C 2.113 178.771 176.600 0.097 0.000 0.984 259 E CA 1.504 57.998 56.400 0.157 0.000 0.806 259 E CB -0.512 29.243 29.700 0.092 0.000 0.750 259 E HN 0.916 nan 8.360 nan 0.000 0.458 260 M N -0.654 118.997 119.600 0.086 0.000 2.539 260 M HA -0.021 4.459 4.480 -0.000 0.000 0.261 260 M C 1.656 178.004 176.300 0.079 0.000 1.069 260 M CA 1.327 56.666 55.300 0.066 0.000 1.081 260 M CB -0.294 32.339 32.600 0.054 0.000 1.412 260 M HN -0.048 nan 8.290 nan 0.000 0.482 261 L N 0.622 121.905 121.223 0.101 0.000 2.509 261 L HA 0.165 4.505 4.340 -0.000 0.000 0.222 261 L C 1.061 177.995 176.870 0.108 0.000 1.123 261 L CA -0.022 54.896 54.840 0.129 0.000 0.856 261 L CB -0.467 41.683 42.059 0.152 0.000 0.985 261 L HN 0.439 nan 8.230 nan 0.000 0.456 262 E N 0.842 121.092 120.200 0.083 0.000 2.558 262 E HA 0.063 4.413 4.350 -0.000 0.000 0.255 262 E C 1.166 177.787 176.600 0.035 0.000 0.968 262 E CA 0.823 57.257 56.400 0.056 0.000 0.939 262 E CB 0.275 29.997 29.700 0.037 0.000 0.921 262 E HN 0.334 nan 8.360 nan 0.000 0.477 263 G N 3.064 111.876 108.800 0.019 0.000 2.199 263 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.254 263 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.254 263 G C 0.922 175.810 174.900 -0.020 0.000 0.982 263 G CA 0.802 45.901 45.100 -0.002 0.000 0.632 263 G HN 0.740 nan 8.290 nan 0.000 0.529 264 T N -2.128 112.420 114.554 -0.009 0.000 3.067 264 T HA 0.425 4.774 4.350 -0.000 0.000 0.261 264 T C 2.493 177.036 174.700 -0.262 0.000 1.110 264 T CA 1.892 63.961 62.100 -0.052 0.000 1.113 264 T CB 0.264 69.197 68.868 0.108 0.000 0.917 264 T HN 2.251 nan 8.240 nan 0.000 0.499 265 G N 0.163 108.833 108.800 -0.217 0.000 2.232 265 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.226 265 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.226 265 G C -0.078 174.637 174.900 -0.309 0.000 0.996 265 G CA -0.143 44.773 45.100 -0.308 0.000 0.626 265 G HN 0.641 nan 8.290 nan 0.000 0.509 266 Y N 0.651 120.962 120.300 0.019 0.000 2.376 266 Y HA 0.707 5.257 4.550 -0.000 0.000 0.325 266 Y C 0.793 176.707 175.900 0.024 0.000 1.199 266 Y CA 0.121 58.232 58.100 0.018 0.000 1.206 266 Y CB 2.204 40.674 38.460 0.017 0.000 1.229 266 Y HN 0.157 nan 8.280 nan 0.000 0.480 267 T N 0.471 115.142 114.554 0.195 0.000 2.802 267 T HA 0.477 4.826 4.350 -0.000 0.000 0.311 267 T C -0.884 173.867 174.700 0.084 0.000 1.405 267 T CA -0.683 61.489 62.100 0.119 0.000 1.016 267 T CB 1.244 70.163 68.868 0.085 0.000 1.352 267 T HN 0.783 nan 8.240 nan 0.000 0.498 268 T N 0.247 114.832 114.554 0.052 0.000 2.940 268 T HA 0.540 4.890 4.350 -0.000 0.000 0.288 268 T C -0.148 174.540 174.700 -0.021 0.000 1.045 268 T CA -0.835 61.272 62.100 0.012 0.000 1.018 268 T CB 1.455 70.313 68.868 -0.018 0.000 1.151 268 T HN 0.574 nan 8.240 nan 0.000 0.529 269 N N 1.331 120.007 118.700 -0.041 0.000 2.806 269 N HA 0.292 5.031 4.740 -0.000 0.000 0.315 269 N C -0.702 174.721 175.510 -0.145 0.000 1.738 269 N CA -0.306 52.704 53.050 -0.067 0.000 0.993 269 N CB 0.137 38.607 38.487 -0.028 0.000 1.324 269 N HN 0.503 nan 8.380 nan 0.000 0.493 270 L N 0.012 121.087 121.223 -0.246 0.000 2.379 270 L HA 0.309 4.649 4.340 -0.000 0.000 0.269 270 L C 0.373 177.003 176.870 -0.401 0.000 1.084 270 L CA -0.699 53.916 54.840 -0.374 0.000 0.802 270 L CB 1.083 42.870 42.059 -0.454 0.000 1.175 270 L HN 0.181 nan 8.230 nan 0.000 0.448 271 D N 0.759 120.965 120.400 -0.323 0.000 2.380 271 D HA 0.072 4.712 4.640 -0.000 0.000 0.230 271 D C 0.559 176.756 176.300 -0.171 0.000 1.154 271 D CA -0.096 53.789 54.000 -0.193 0.000 0.859 271 D CB 0.807 41.535 40.800 -0.119 0.000 1.045 271 D HN 0.324 nan 8.370 nan 0.000 0.495 272 Y N 1.959 122.247 120.300 -0.019 0.000 2.256 272 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 272 Y C 2.018 177.944 175.900 0.042 0.000 1.155 272 Y CA 0.823 58.930 58.100 0.012 0.000 1.203 272 Y CB 0.253 38.719 38.460 0.011 0.000 0.980 272 Y HN 0.408 nan 8.280 nan 0.000 0.530 273 D N -0.467 120.027 120.400 0.155 0.000 2.097 273 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 273 D C 2.219 178.593 176.300 0.123 0.000 0.984 273 D CA 0.895 54.968 54.000 0.120 0.000 0.826 273 D CB -0.071 40.769 40.800 0.066 0.000 0.973 273 D HN 0.176 nan 8.370 nan 0.000 0.460 274 R N 0.553 121.087 120.500 0.056 0.000 2.081 274 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 274 R C 2.598 178.938 176.300 0.068 0.000 1.131 274 R CA 0.382 56.503 56.100 0.036 0.000 0.960 274 R CB -1.062 29.217 30.300 -0.035 0.000 0.856 274 R HN 0.318 nan 8.270 nan 0.000 0.436 275 L N -0.552 120.704 121.223 0.054 0.000 2.042 275 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 275 L C 2.541 179.505 176.870 0.157 0.000 1.076 275 L CA 1.651 56.548 54.840 0.096 0.000 0.749 275 L CB -0.651 41.452 42.059 0.072 0.000 0.893 275 L HN 0.255 nan 8.230 nan 0.000 0.432 276 H N 0.605 119.736 119.070 0.102 0.000 2.353 276 H HA -0.156 4.400 4.556 -0.000 0.000 0.300 276 H C 2.239 177.626 175.328 0.099 0.000 1.090 276 H CA 1.759 57.869 56.048 0.102 0.000 1.327 276 H CB 0.182 29.998 29.762 0.089 0.000 1.383 276 H HN 0.157 nan 8.280 nan 0.000 0.508 277 K N -0.208 120.273 120.400 0.135 0.000 2.057 277 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 277 K C 2.255 178.904 176.600 0.082 0.000 1.050 277 K CA 1.562 57.901 56.287 0.086 0.000 0.935 277 K CB 0.020 32.579 32.500 0.097 0.000 0.715 277 K HN 0.324 nan 8.250 nan 0.000 0.439 278 I N 0.883 121.525 120.570 0.121 0.000 2.226 278 I HA -0.272 3.897 4.170 -0.000 0.000 0.245 278 I C 2.733 179.018 176.117 0.281 0.000 1.100 278 I CA 1.095 62.523 61.300 0.213 0.000 1.374 278 I CB -0.269 37.880 38.000 0.249 0.000 1.057 278 I HN 0.161 nan 8.210 nan 0.000 0.413 279 R N 1.128 121.721 120.500 0.155 0.000 2.073 279 R HA -0.203 4.136 4.340 -0.000 0.000 0.234 279 R C 1.860 178.198 176.300 0.063 0.000 1.134 279 R CA 2.148 58.317 56.100 0.116 0.000 0.952 279 R CB -0.200 30.107 30.300 0.012 0.000 0.850 279 R HN 0.265 nan 8.270 nan 0.000 0.433 280 D N -0.705 119.660 120.400 -0.059 0.000 2.144 280 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 280 D C 1.712 177.995 176.300 -0.028 0.000 0.984 280 D CA 1.349 55.305 54.000 -0.073 0.000 0.834 280 D CB -0.400 40.324 40.800 -0.127 0.000 0.955 280 D HN 0.436 nan 8.370 nan 0.000 0.465 281 H N -0.374 118.642 119.070 -0.089 0.000 2.267 281 H HA -0.126 4.430 4.556 -0.000 0.000 0.297 281 H C 1.788 176.946 175.328 -0.283 0.000 1.080 281 H CA 1.743 57.659 56.048 -0.219 0.000 1.278 281 H CB -0.455 29.095 29.762 -0.354 0.000 1.365 281 H HN 0.078 nan 8.280 nan 0.000 0.489 282 F N 0.510 120.491 119.950 0.052 0.000 2.325 282 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 282 F C 2.609 178.396 175.800 -0.023 0.000 1.090 282 F CA 1.044 59.049 58.000 0.009 0.000 1.392 282 F CB -0.123 38.920 39.000 0.073 0.000 1.053 282 F HN 0.165 nan 8.300 nan 0.000 0.521 283 K N 0.810 121.275 120.400 0.108 0.000 2.147 283 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 283 K C 2.164 178.775 176.600 0.018 0.000 1.049 283 K CA 1.179 57.504 56.287 0.064 0.000 0.936 283 K CB -0.194 32.326 32.500 0.034 0.000 0.722 283 K HN 0.214 nan 8.250 nan 0.000 0.446 284 A N 0.653 123.443 122.820 -0.050 0.000 2.014 284 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 284 A C 1.923 179.475 177.584 -0.054 0.000 1.163 284 A CA 0.878 52.874 52.037 -0.068 0.000 0.652 284 A CB -0.197 18.727 19.000 -0.126 0.000 0.808 284 A HN 0.322 nan 8.150 nan 0.000 0.449 285 I N -1.771 118.758 120.570 -0.068 0.000 2.867 285 I HA -0.035 4.134 4.170 -0.000 0.000 0.265 285 I C 2.510 178.746 176.117 0.199 0.000 1.162 285 I CA 0.452 61.767 61.300 0.025 0.000 1.471 285 I CB -0.175 37.790 38.000 -0.058 0.000 1.123 285 I HN 0.330 nan 8.210 nan 0.000 0.440 286 R N 1.717 122.331 120.500 0.189 0.000 2.091 286 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 286 R C -0.597 175.855 176.300 0.253 0.000 1.136 286 R CA 1.863 58.112 56.100 0.248 0.000 0.959 286 R CB -1.106 29.295 30.300 0.168 0.000 0.856 286 R HN 0.181 nan 8.270 nan 0.000 0.437 287 P HA -0.187 nan 4.420 nan 0.000 0.218 287 P C 0.201 177.552 177.300 0.085 0.000 1.146 287 P CA 1.600 64.761 63.100 0.102 0.000 0.813 287 P CB -0.030 31.703 31.700 0.055 0.000 0.778 288 K N -2.029 118.416 120.400 0.076 0.000 2.362 288 K HA -0.097 4.223 4.320 -0.000 0.000 0.200 288 K C 0.849 177.329 176.600 -0.200 0.000 1.046 288 K CA 1.028 57.265 56.287 -0.083 0.000 0.952 288 K CB -0.309 32.092 32.500 -0.166 0.000 0.753 288 K HN 0.312 nan 8.250 nan 0.000 0.466 289 Y N 1.285 121.660 120.300 0.125 0.000 2.571 289 Y HA 0.061 4.611 4.550 -0.000 0.000 0.275 289 Y C 1.793 177.807 175.900 0.190 0.000 1.179 289 Y CA -0.256 57.982 58.100 0.231 0.000 1.242 289 Y CB 0.073 38.652 38.460 0.197 0.000 1.126 289 Y HN -0.010 nan 8.280 nan 0.000 0.524 290 K N 0.568 121.056 120.400 0.146 0.000 2.211 290 K HA -0.190 4.129 4.320 -0.000 0.000 0.204 290 K C 1.103 177.695 176.600 -0.013 0.000 1.047 290 K CA 1.341 57.672 56.287 0.073 0.000 0.935 290 K CB 0.019 32.534 32.500 0.025 0.000 0.728 290 K HN 0.083 nan 8.250 nan 0.000 0.452 291 K N 0.142 120.455 120.400 -0.145 0.000 2.504 291 K HA -0.034 4.285 4.320 -0.000 0.000 0.195 291 K C 0.832 177.111 176.600 -0.534 0.000 1.036 291 K CA 0.700 56.751 56.287 -0.393 0.000 0.984 291 K CB -0.027 32.096 32.500 -0.630 0.000 0.788 291 K HN 0.296 nan 8.250 nan 0.000 0.488 292 F N 0.759 120.732 119.950 0.039 0.000 2.706 292 F HA 0.176 4.703 4.527 -0.000 0.000 0.313 292 F C 0.693 176.522 175.800 0.048 0.000 1.096 292 F CA -0.553 57.471 58.000 0.040 0.000 1.219 292 F CB 0.486 39.530 39.000 0.072 0.000 1.051 292 F HN -0.229 nan 8.300 nan 0.000 0.568 293 E N 1.092 121.395 120.200 0.171 0.000 2.390 293 E HA 0.195 4.545 4.350 -0.000 0.000 0.261 293 E C 0.128 176.772 176.600 0.074 0.000 1.076 293 E CA 0.064 56.537 56.400 0.121 0.000 0.905 293 E CB 1.068 30.824 29.700 0.092 0.000 0.984 293 E HN 0.020 nan 8.360 nan 0.000 0.427 294 S N 1.281 117.017 115.700 0.059 0.000 2.652 294 S HA 0.230 4.700 4.470 -0.000 0.000 0.270 294 S C 0.659 175.274 174.600 0.025 0.000 1.243 294 S CA -0.621 57.601 58.200 0.037 0.000 0.999 294 S CB 0.938 64.154 63.200 0.028 0.000 0.973 294 S HN 0.309 nan 8.310 nan 0.000 0.544 295 K N 0.782 121.191 120.400 0.015 0.000 2.618 295 K HA 0.231 4.551 4.320 -0.000 0.000 0.207 295 K C -0.818 175.786 176.600 0.007 0.000 1.058 295 K CA 0.037 56.331 56.287 0.011 0.000 1.086 295 K CB 0.800 33.303 32.500 0.006 0.000 0.827 295 K HN 0.439 nan 8.250 nan 0.000 0.481 296 T N 0.676 115.233 114.554 0.005 0.000 2.965 296 T HA 0.267 4.617 4.350 -0.000 0.000 0.306 296 T C 0.820 175.519 174.700 -0.001 0.000 0.991 296 T CA -0.546 61.555 62.100 0.001 0.000 1.001 296 T CB 1.477 70.343 68.868 -0.003 0.000 0.984 296 T HN 0.026 nan 8.240 nan 0.000 0.446 297 L N 2.194 123.418 121.223 0.002 0.000 2.209 297 L HA 0.251 4.590 4.340 -0.000 0.000 0.207 297 L C 0.133 177.002 176.870 -0.003 0.000 1.094 297 L CA 0.714 55.554 54.840 0.000 0.000 0.790 297 L CB 0.339 42.401 42.059 0.005 0.000 0.932 297 L HN 0.370 nan 8.230 nan 0.000 0.447 298 V N -0.529 119.385 119.914 0.001 0.000 2.668 298 V HA 0.354 4.474 4.120 -0.000 0.000 0.304 298 V C -1.557 174.538 176.094 0.002 0.000 1.071 298 V CA -0.775 61.528 62.300 0.004 0.000 0.894 298 V CB 2.280 34.113 31.823 0.017 0.000 1.008 298 V HN -0.024 nan 8.190 nan 0.000 0.425 299 D N 2.533 122.927 120.400 -0.010 0.000 2.602 299 D HA 0.357 4.997 4.640 -0.000 0.000 0.245 299 D C 0.629 176.906 176.300 -0.039 0.000 1.325 299 D CA 0.086 54.075 54.000 -0.018 0.000 0.952 299 D CB 2.229 43.009 40.800 -0.033 0.000 1.317 299 D HN 0.621 nan 8.370 nan 0.000 0.577 300 T N -0.509 114.052 114.554 0.011 0.000 3.069 300 T HA 0.045 4.395 4.350 -0.000 0.000 0.252 300 T C 1.621 176.341 174.700 0.033 0.000 1.053 300 T CA 0.516 62.650 62.100 0.057 0.000 0.964 300 T CB -0.105 68.906 68.868 0.238 0.000 1.005 300 T HN 0.208 nan 8.240 nan 0.000 0.532 301 S N 1.611 117.306 115.700 -0.008 0.000 2.419 301 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 301 S C 1.852 176.434 174.600 -0.029 0.000 1.019 301 S CA 0.524 58.728 58.200 0.006 0.000 0.982 301 S CB -0.865 62.333 63.200 -0.003 0.000 0.789 301 S HN 0.606 nan 8.310 nan 0.000 0.490 302 I N 0.119 120.604 120.570 -0.141 0.000 2.454 302 I HA -0.084 4.086 4.170 -0.000 0.000 0.254 302 I C 1.559 177.600 176.117 -0.127 0.000 1.156 302 I CA 1.162 62.357 61.300 -0.176 0.000 1.433 302 I CB -0.174 37.655 38.000 -0.285 0.000 1.082 302 I HN 0.266 nan 8.210 nan 0.000 0.432 303 F N 0.836 120.798 119.950 0.020 0.000 2.546 303 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 303 F C 2.427 178.240 175.800 0.022 0.000 1.120 303 F CA 0.980 58.994 58.000 0.024 0.000 1.456 303 F CB -0.071 38.944 39.000 0.025 0.000 1.088 303 F HN 0.064 nan 8.300 nan 0.000 0.572 304 K N -0.133 120.368 120.400 0.168 0.000 2.306 304 K HA -0.029 4.291 4.320 -0.000 0.000 0.200 304 K C 2.054 178.696 176.600 0.070 0.000 1.083 304 K CA 1.009 57.361 56.287 0.109 0.000 0.959 304 K CB 0.052 32.604 32.500 0.087 0.000 0.994 304 K HN 0.135 nan 8.250 nan 0.000 0.492 305 S N -0.093 115.635 115.700 0.046 0.000 2.503 305 S HA 0.021 4.491 4.470 -0.000 0.000 0.217 305 S C 0.689 175.306 174.600 0.028 0.000 0.999 305 S CA 0.321 58.539 58.200 0.030 0.000 0.914 305 S CB 0.176 63.384 63.200 0.013 0.000 0.782 305 S HN 0.416 nan 8.310 nan 0.000 0.520 306 Q N -0.492 119.320 119.800 0.020 0.000 2.305 306 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 306 Q C -0.705 175.294 176.000 -0.003 0.000 0.663 306 Q CA 1.319 57.131 55.803 0.016 0.000 1.389 306 Q CB -1.693 27.076 28.738 0.051 0.000 1.566 306 Q HN 0.677 nan 8.270 nan 0.000 0.755 307 I N 1.702 122.265 120.570 -0.013 0.000 2.321 307 I HA 0.309 4.479 4.170 -0.000 0.000 0.291 307 I C -2.186 173.905 176.117 -0.043 0.000 0.998 307 I CA -2.185 59.105 61.300 -0.017 0.000 1.227 307 I CB 1.173 39.169 38.000 -0.007 0.000 1.368 307 I HN -0.236 nan 8.210 nan 0.000 0.466 308 P HA 0.086 nan 4.420 nan 0.000 0.271 308 P C 1.028 178.298 177.300 -0.050 0.000 1.216 308 P CA -0.070 62.989 63.100 -0.068 0.000 0.776 308 P CB 1.056 32.716 31.700 -0.067 0.000 0.881 309 G N 3.059 111.826 108.800 -0.056 0.000 2.556 309 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.220 309 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.220 309 G C 1.722 176.609 174.900 -0.022 0.000 1.156 309 G CA 1.131 46.209 45.100 -0.036 0.000 0.766 309 G HN 0.631 nan 8.290 nan 0.000 0.583 310 G N 0.314 109.100 108.800 -0.024 0.000 2.442 310 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 310 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 310 G C 1.782 176.681 174.900 -0.002 0.000 1.141 310 G CA 1.190 46.285 45.100 -0.009 0.000 0.763 310 G HN 0.471 nan 8.290 nan 0.000 0.554 311 M N -0.433 119.162 119.600 -0.008 0.000 2.132 311 M HA 0.126 4.606 4.480 -0.000 0.000 0.263 311 M C 2.373 178.674 176.300 0.002 0.000 1.065 311 M CA 1.140 56.440 55.300 0.000 0.000 1.122 311 M CB -0.082 32.516 32.600 -0.003 0.000 1.365 311 M HN 0.231 nan 8.290 nan 0.000 0.411 312 L N 0.468 121.689 121.223 -0.003 0.000 2.083 312 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 312 L C 2.667 179.540 176.870 0.005 0.000 1.083 312 L CA 2.277 57.116 54.840 -0.001 0.000 0.752 312 L CB -0.710 41.345 42.059 -0.006 0.000 0.899 312 L HN 0.497 nan 8.230 nan 0.000 0.433 313 S N -0.455 115.248 115.700 0.005 0.000 2.355 313 S HA -0.265 4.205 4.470 -0.000 0.000 0.222 313 S C 2.032 176.642 174.600 0.017 0.000 1.031 313 S CA 1.628 59.834 58.200 0.010 0.000 0.993 313 S CB -0.846 62.361 63.200 0.011 0.000 0.859 313 S HN 0.548 nan 8.310 nan 0.000 0.453 314 N N 0.748 119.460 118.700 0.020 0.000 2.205 314 N HA -0.091 4.649 4.740 -0.000 0.000 0.186 314 N C 1.721 177.249 175.510 0.029 0.000 1.015 314 N CA 1.453 54.520 53.050 0.028 0.000 0.862 314 N CB -0.262 38.243 38.487 0.030 0.000 0.986 314 N HN 0.622 nan 8.380 nan 0.000 0.429 315 M N 0.111 119.725 119.600 0.023 0.000 2.248 315 M HA -0.036 4.443 4.480 -0.000 0.000 0.265 315 M C 2.076 178.390 176.300 0.023 0.000 1.079 315 M CA 0.736 56.051 55.300 0.025 0.000 1.150 315 M CB -0.387 32.222 32.600 0.015 0.000 1.366 315 M HN 0.109 nan 8.290 nan 0.000 0.433 316 E N 1.243 121.453 120.200 0.016 0.000 2.086 316 E HA -0.243 4.107 4.350 -0.000 0.000 0.200 316 E C 1.889 178.498 176.600 0.016 0.000 1.012 316 E CA 2.369 58.777 56.400 0.013 0.000 0.812 316 E CB -0.059 29.647 29.700 0.010 0.000 0.743 316 E HN 0.518 nan 8.360 nan 0.000 0.453 317 S N 0.348 116.059 115.700 0.019 0.000 2.368 317 S HA -0.215 4.255 4.470 -0.000 0.000 0.225 317 S C 2.033 176.647 174.600 0.024 0.000 1.030 317 S CA 1.365 59.578 58.200 0.021 0.000 0.999 317 S CB -0.532 62.682 63.200 0.025 0.000 0.844 317 S HN 0.353 nan 8.310 nan 0.000 0.459 318 Q N 0.703 120.523 119.800 0.033 0.000 2.297 318 Q HA 0.056 4.396 4.340 -0.000 0.000 0.208 318 Q C 2.168 178.185 176.000 0.029 0.000 0.981 318 Q CA 1.273 57.101 55.803 0.041 0.000 0.876 318 Q CB -0.451 28.325 28.738 0.064 0.000 0.921 318 Q HN 0.595 nan 8.270 nan 0.000 0.446 319 L N 0.055 121.291 121.223 0.021 0.000 2.202 319 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 319 L C 2.164 179.037 176.870 0.005 0.000 1.083 319 L CA 0.699 55.546 54.840 0.012 0.000 0.790 319 L CB -0.123 41.942 42.059 0.010 0.000 0.942 319 L HN 0.192 nan 8.230 nan 0.000 0.452 320 R N 0.707 121.211 120.500 0.007 0.000 2.313 320 R HA 0.107 4.447 4.340 -0.000 0.000 0.199 320 R C 1.400 177.702 176.300 0.003 0.000 0.958 320 R CA 1.046 57.149 56.100 0.004 0.000 1.047 320 R CB -0.597 29.706 30.300 0.004 0.000 0.955 320 R HN 0.124 nan 8.270 nan 0.000 0.481 321 A N -0.229 122.595 122.820 0.006 0.000 2.252 321 A HA 0.178 4.498 4.320 -0.000 0.000 0.213 321 A C 1.458 179.040 177.584 -0.003 0.000 1.188 321 A CA -0.018 52.022 52.037 0.005 0.000 0.863 321 A CB 0.094 19.102 19.000 0.013 0.000 0.893 321 A HN 0.232 nan 8.150 nan 0.000 0.495 322 Q N -1.123 118.673 119.800 -0.006 0.000 2.194 322 Q HA 0.184 4.524 4.340 -0.000 0.000 0.214 322 Q C 1.075 177.064 176.000 -0.018 0.000 0.838 322 Q CA 0.537 56.329 55.803 -0.019 0.000 0.972 322 Q CB 0.632 29.355 28.738 -0.025 0.000 1.131 322 Q HN 0.833 nan 8.270 nan 0.000 0.498 323 G N 1.184 109.977 108.800 -0.011 0.000 2.205 323 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.269 323 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.269 323 G C 0.384 175.278 174.900 -0.011 0.000 0.977 323 G CA 0.555 45.648 45.100 -0.010 0.000 0.652 323 G HN 0.472 nan 8.290 nan 0.000 0.539 324 A N 0.420 123.233 122.820 -0.011 0.000 3.204 324 A HA 0.660 4.979 4.320 -0.000 0.000 0.327 324 A C 0.867 178.447 177.584 -0.007 0.000 0.998 324 A CA 0.688 52.719 52.037 -0.011 0.000 0.891 324 A CB 0.084 19.075 19.000 -0.015 0.000 1.061 324 A HN 0.757 nan 8.150 nan 0.000 0.478 325 E N 0.612 120.809 120.200 -0.004 0.000 2.494 325 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 325 E C -0.081 176.518 176.600 -0.002 0.000 1.074 325 E CA 0.414 56.813 56.400 -0.001 0.000 0.867 325 E CB -0.115 29.586 29.700 0.000 0.000 0.924 325 E HN 0.687 nan 8.360 nan 0.000 0.502 326 D N 1.673 122.070 120.400 -0.004 0.000 2.323 326 D HA -0.049 4.590 4.640 -0.000 0.000 0.239 326 D C 0.466 176.763 176.300 -0.005 0.000 1.129 326 D CA 0.045 54.043 54.000 -0.004 0.000 0.865 326 D CB 0.103 40.900 40.800 -0.005 0.000 0.913 326 D HN 0.207 nan 8.370 nan 0.000 0.517 327 K N -0.243 120.155 120.400 -0.005 0.000 2.644 327 K HA 0.138 4.458 4.320 -0.000 0.000 0.198 327 K C 0.945 177.543 176.600 -0.004 0.000 1.113 327 K CA -0.318 55.965 56.287 -0.006 0.000 1.073 327 K CB 0.455 32.949 32.500 -0.009 0.000 0.811 327 K HN -0.113 nan 8.250 nan 0.000 0.508 328 M N 1.531 121.130 119.600 -0.001 0.000 2.358 328 M HA -0.092 4.387 4.480 -0.000 0.000 0.264 328 M C 0.814 177.114 176.300 -0.000 0.000 1.064 328 M CA 1.841 57.141 55.300 0.000 0.000 1.093 328 M CB 0.032 32.633 32.600 0.002 0.000 1.401 328 M HN 0.069 nan 8.290 nan 0.000 0.440 329 D N -0.489 119.910 120.400 -0.001 0.000 2.271 329 D HA -0.068 4.572 4.640 -0.000 0.000 0.206 329 D C 1.624 177.922 176.300 -0.003 0.000 0.967 329 D CA 0.890 54.890 54.000 0.000 0.000 0.867 329 D CB -0.042 40.758 40.800 0.001 0.000 0.960 329 D HN 0.566 nan 8.370 nan 0.000 0.509 330 E N 0.429 120.625 120.200 -0.007 0.000 2.158 330 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 330 E C 2.224 178.813 176.600 -0.017 0.000 0.982 330 E CA 0.278 56.671 56.400 -0.012 0.000 0.823 330 E CB 0.434 30.125 29.700 -0.016 0.000 0.766 330 E HN 0.044 nan 8.360 nan 0.000 0.468 331 V N 1.235 121.141 119.914 -0.013 0.000 2.379 331 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 331 V C 2.232 178.318 176.094 -0.013 0.000 1.044 331 V CA 1.489 63.779 62.300 -0.016 0.000 1.036 331 V CB -0.336 31.483 31.823 -0.007 0.000 0.664 331 V HN 0.289 nan 8.190 nan 0.000 0.453 332 M N 0.062 119.659 119.600 -0.005 0.000 2.279 332 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 332 M C 2.115 178.418 176.300 0.005 0.000 1.062 332 M CA 1.838 57.139 55.300 0.001 0.000 1.099 332 M CB -0.418 32.185 32.600 0.005 0.000 1.394 332 M HN 0.396 nan 8.290 nan 0.000 0.426 333 A N -0.722 122.097 122.820 -0.000 0.000 2.132 333 A HA -0.063 4.257 4.320 -0.000 0.000 0.213 333 A C 1.905 179.486 177.584 -0.005 0.000 1.154 333 A CA 1.167 53.206 52.037 0.003 0.000 0.753 333 A CB -0.230 18.770 19.000 0.001 0.000 0.826 333 A HN 0.362 nan 8.150 nan 0.000 0.469 334 E N -0.146 120.041 120.200 -0.022 0.000 2.190 334 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 334 E C 1.719 178.297 176.600 -0.038 0.000 0.978 334 E CA 1.026 57.398 56.400 -0.047 0.000 0.839 334 E CB -0.325 29.328 29.700 -0.078 0.000 0.787 334 E HN 0.176 nan 8.360 nan 0.000 0.473 335 V N 1.748 121.650 119.914 -0.020 0.000 2.231 335 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 335 V C -0.654 175.455 176.094 0.024 0.000 1.058 335 V CA 2.602 64.899 62.300 -0.004 0.000 1.022 335 V CB -1.543 30.285 31.823 0.008 0.000 0.640 335 V HN 0.288 nan 8.190 nan 0.000 0.445 336 P HA -0.183 nan 4.420 nan 0.000 0.216 336 P C 1.739 179.079 177.300 0.065 0.000 1.154 336 P CA 1.659 64.812 63.100 0.089 0.000 0.865 336 P CB -0.128 31.628 31.700 0.094 0.000 0.789 337 R N -0.795 119.726 120.500 0.035 0.000 2.075 337 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 337 R C 2.130 178.452 176.300 0.038 0.000 1.126 337 R CA 1.297 57.413 56.100 0.027 0.000 0.963 337 R CB -1.189 29.118 30.300 0.012 0.000 0.858 337 R HN 0.117 nan 8.270 nan 0.000 0.435 338 V N 0.968 120.903 119.914 0.034 0.000 2.295 338 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 338 V C 2.460 178.606 176.094 0.085 0.000 1.049 338 V CA 1.853 64.209 62.300 0.092 0.000 1.024 338 V CB -0.624 31.180 31.823 -0.030 0.000 0.648 338 V HN 0.320 nan 8.190 nan 0.000 0.447 339 R N 0.654 121.171 120.500 0.028 0.000 2.094 339 R HA -0.290 4.050 4.340 -0.000 0.000 0.239 339 R C 2.400 178.538 176.300 -0.269 0.000 1.137 339 R CA 2.373 58.469 56.100 -0.006 0.000 0.943 339 R CB -0.319 30.030 30.300 0.081 0.000 0.850 339 R HN 0.416 nan 8.270 nan 0.000 0.433 340 K N 0.559 120.687 120.400 -0.454 0.000 2.034 340 K HA -0.154 4.166 4.320 -0.000 0.000 0.214 340 K C 1.794 178.088 176.600 -0.509 0.000 1.051 340 K CA 2.197 57.918 56.287 -0.942 0.000 0.931 340 K CB -0.681 31.580 32.500 -0.398 0.000 0.715 340 K HN 0.309 nan 8.250 nan 0.000 0.446 341 A N 0.136 122.851 122.820 -0.175 0.000 1.972 341 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 341 A C 2.211 179.746 177.584 -0.082 0.000 1.169 341 A CA 1.937 53.938 52.037 -0.060 0.000 0.635 341 A CB -0.842 18.222 19.000 0.106 0.000 0.810 341 A HN 0.474 nan 8.150 nan 0.000 0.446 342 A N -1.897 120.894 122.820 -0.049 0.000 2.238 342 A HA 0.424 4.744 4.320 -0.000 0.000 0.208 342 A C 1.632 179.170 177.584 -0.077 0.000 1.177 342 A CA 1.125 53.134 52.037 -0.047 0.000 0.804 342 A CB -0.844 18.207 19.000 0.086 0.000 0.823 342 A HN 1.893 nan 8.150 nan 0.000 0.482 343 G N -1.854 106.850 108.800 -0.160 0.000 2.130 343 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 343 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 343 G C 0.301 175.245 174.900 0.073 0.000 0.999 343 G CA -0.311 44.741 45.100 -0.080 0.000 0.686 343 G HN 0.898 nan 8.290 nan 0.000 0.515 344 F N -1.396 118.606 119.950 0.087 0.000 2.983 344 F HA -0.169 4.357 4.527 -0.000 0.000 0.288 344 F C -0.919 174.982 175.800 0.169 0.000 0.980 344 F CA 0.434 58.509 58.000 0.126 0.000 0.965 344 F CB -1.284 37.797 39.000 0.136 0.000 0.967 344 F HN 0.363 nan 8.300 nan 0.000 0.800 345 P HA 0.190 nan 4.420 nan 0.000 0.274 345 P C -2.453 174.945 177.300 0.164 0.000 1.237 345 P CA -1.369 61.854 63.100 0.205 0.000 0.793 345 P CB 0.624 32.414 31.700 0.151 0.000 0.977 346 P HA 0.132 nan 4.420 nan 0.000 0.269 346 P C -0.044 177.285 177.300 0.049 0.000 1.209 346 P CA 0.374 63.486 63.100 0.020 0.000 0.776 346 P CB 0.232 31.943 31.700 0.017 0.000 0.876 347 L N 3.158 124.393 121.223 0.021 0.000 2.536 347 L HA 0.188 4.528 4.340 -0.000 0.000 0.242 347 L C 0.384 177.261 176.870 0.012 0.000 1.280 347 L CA -0.390 54.468 54.840 0.029 0.000 1.221 347 L CB -0.698 41.373 42.059 0.021 0.000 1.449 347 L HN 0.191 nan 8.230 nan 0.000 0.405 348 V N -2.881 117.053 119.914 0.032 0.000 3.046 348 V HA 0.556 4.676 4.120 -0.000 0.000 0.316 348 V C 0.521 176.650 176.094 0.058 0.000 1.104 348 V CA -0.760 61.556 62.300 0.027 0.000 1.006 348 V CB 1.574 33.417 31.823 0.034 0.000 1.058 348 V HN 0.217 nan 8.190 nan 0.000 0.440 349 T N 3.890 118.478 114.554 0.057 0.000 2.934 349 T HA 0.227 4.577 4.350 -0.000 0.000 0.306 349 T C -1.486 173.257 174.700 0.072 0.000 1.042 349 T CA 0.428 62.566 62.100 0.062 0.000 1.145 349 T CB 0.839 69.746 68.868 0.064 0.000 0.982 349 T HN 0.872 nan 8.240 nan 0.000 0.544 350 P HA 0.134 nan 4.420 nan 0.000 0.257 350 P C 1.248 178.576 177.300 0.047 0.000 1.241 350 P CA 0.052 63.162 63.100 0.017 0.000 0.816 350 P CB 0.299 31.976 31.700 -0.038 0.000 1.150 351 S N 1.335 117.071 115.700 0.060 0.000 2.380 351 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 351 S C 2.159 176.814 174.600 0.091 0.000 1.043 351 S CA 2.195 60.456 58.200 0.101 0.000 1.038 351 S CB -0.978 62.285 63.200 0.105 0.000 0.872 351 S HN 0.470 nan 8.310 nan 0.000 0.456 352 S N 1.854 117.592 115.700 0.064 0.000 2.356 352 S HA -0.211 4.259 4.470 -0.000 0.000 0.223 352 S C 1.847 176.472 174.600 0.042 0.000 1.032 352 S CA 1.204 59.432 58.200 0.047 0.000 1.005 352 S CB -0.603 62.614 63.200 0.028 0.000 0.867 352 S HN 0.455 nan 8.310 nan 0.000 0.449 353 Q N 1.286 121.113 119.800 0.045 0.000 2.079 353 Q HA 0.177 4.517 4.340 -0.000 0.000 0.200 353 Q C 2.230 178.251 176.000 0.035 0.000 0.974 353 Q CA 1.538 57.364 55.803 0.038 0.000 0.840 353 Q CB -0.614 28.151 28.738 0.045 0.000 0.898 353 Q HN 0.632 nan 8.270 nan 0.000 0.430 354 I N -0.418 120.194 120.570 0.069 0.000 2.099 354 I HA -0.283 3.886 4.170 -0.000 0.000 0.239 354 I C 2.018 178.170 176.117 0.057 0.000 1.066 354 I CA 1.042 62.400 61.300 0.097 0.000 1.324 354 I CB -0.500 37.619 38.000 0.200 0.000 1.037 354 I HN 0.047 nan 8.210 nan 0.000 0.401 355 V N 1.222 121.188 119.914 0.086 0.000 2.332 355 V HA -0.229 3.890 4.120 -0.000 0.000 0.248 355 V C 2.590 178.651 176.094 -0.055 0.000 1.055 355 V CA 2.236 64.557 62.300 0.035 0.000 1.038 355 V CB -1.483 30.386 31.823 0.075 0.000 0.651 355 V HN 0.609 nan 8.190 nan 0.000 0.450 356 G N -0.591 108.194 108.800 -0.025 0.000 2.421 356 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 356 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 356 G C 1.708 176.568 174.900 -0.066 0.000 1.171 356 G CA 1.523 46.603 45.100 -0.034 0.000 0.775 356 G HN 0.465 nan 8.290 nan 0.000 0.543 357 T N 0.407 114.907 114.554 -0.090 0.000 2.737 357 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 357 T C 2.365 176.835 174.700 -0.384 0.000 1.038 357 T CA 1.646 63.658 62.100 -0.146 0.000 1.144 357 T CB -0.191 68.586 68.868 -0.151 0.000 0.866 357 T HN 0.306 nan 8.240 nan 0.000 0.434 358 Q N 1.363 120.880 119.800 -0.472 0.000 2.170 358 Q HA 0.058 4.398 4.340 -0.000 0.000 0.203 358 Q C 2.223 177.977 176.000 -0.411 0.000 0.976 358 Q CA 1.703 57.110 55.803 -0.660 0.000 0.858 358 Q CB -0.697 27.518 28.738 -0.871 0.000 0.907 358 Q HN 0.509 nan 8.270 nan 0.000 0.433 359 A N -0.720 121.941 122.820 -0.264 0.000 1.933 359 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 359 A C 2.272 179.810 177.584 -0.076 0.000 1.175 359 A CA 1.535 53.472 52.037 -0.166 0.000 0.628 359 A CB -0.797 18.142 19.000 -0.103 0.000 0.814 359 A HN 0.265 nan 8.150 nan 0.000 0.444 360 V N -0.787 119.126 119.914 -0.002 0.000 2.295 360 V HA -0.280 3.839 4.120 -0.000 0.000 0.246 360 V C 2.326 178.544 176.094 0.207 0.000 1.049 360 V CA 2.136 64.501 62.300 0.108 0.000 1.024 360 V CB -0.993 30.935 31.823 0.176 0.000 0.648 360 V HN 0.659 nan 8.190 nan 0.000 0.447 361 F N 0.539 120.433 119.950 -0.092 0.000 2.065 361 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 361 F C 2.470 178.201 175.800 -0.114 0.000 1.112 361 F CA 1.629 59.578 58.000 -0.086 0.000 1.212 361 F CB -0.579 38.376 39.000 -0.076 0.000 0.975 361 F HN 0.232 nan 8.300 nan 0.000 0.476 362 N N 0.293 119.014 118.700 0.035 0.000 2.334 362 N HA -0.140 4.600 4.740 -0.000 0.000 0.187 362 N C 1.468 176.925 175.510 -0.088 0.000 1.016 362 N CA 0.891 53.865 53.050 -0.128 0.000 0.879 362 N CB -0.546 37.745 38.487 -0.328 0.000 0.965 362 N HN 0.100 nan 8.380 nan 0.000 0.438 363 V N -0.324 119.563 119.914 -0.044 0.000 3.541 363 V HA 0.101 4.221 4.120 -0.000 0.000 0.267 363 V C 1.476 177.552 176.094 -0.030 0.000 1.213 363 V CA 0.921 63.198 62.300 -0.038 0.000 1.149 363 V CB -0.269 31.539 31.823 -0.025 0.000 0.822 363 V HN 0.254 nan 8.190 nan 0.000 0.462 364 M N -2.039 117.544 119.600 -0.027 0.000 2.893 364 M HA 0.221 4.701 4.480 -0.000 0.000 0.201 364 M C 1.727 177.997 176.300 -0.051 0.000 1.926 364 M CA 0.516 55.790 55.300 -0.043 0.000 1.302 364 M CB 0.009 32.573 32.600 -0.059 0.000 1.249 364 M HN -0.006 nan 8.290 nan 0.000 0.599 365 M N 1.159 120.718 119.600 -0.068 0.000 2.539 365 M HA 0.083 4.563 4.480 -0.000 0.000 0.261 365 M C 0.356 176.640 176.300 -0.026 0.000 1.069 365 M CA 0.856 56.118 55.300 -0.063 0.000 1.081 365 M CB -0.512 32.030 32.600 -0.097 0.000 1.412 365 M HN 0.596 nan 8.290 nan 0.000 0.482 366 G N 1.282 110.066 108.800 -0.027 0.000 2.674 366 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 366 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 366 G C -0.813 174.052 174.900 -0.057 0.000 1.195 366 G CA -0.920 44.160 45.100 -0.033 0.000 0.776 366 G HN 0.408 nan 8.290 nan 0.000 0.654 367 E N 1.008 121.140 120.200 -0.113 0.000 2.606 367 E HA 0.206 4.556 4.350 -0.000 0.000 0.248 367 E C 0.628 177.137 176.600 -0.152 0.000 1.005 367 E CA 0.366 56.603 56.400 -0.271 0.000 0.946 367 E CB -0.289 29.257 29.700 -0.256 0.000 0.928 367 E HN 0.874 nan 8.360 nan 0.000 0.494 368 Y N 1.436 121.743 120.300 0.010 0.000 4.236 368 Y HA -0.377 4.173 4.550 -0.000 0.000 0.220 368 Y C 1.624 177.558 175.900 0.058 0.000 1.115 368 Y CA 0.585 58.706 58.100 0.035 0.000 1.811 368 Y CB -1.266 37.227 38.460 0.054 0.000 1.581 368 Y HN 0.595 nan 8.280 nan 0.000 0.643 369 K N 2.429 122.914 120.400 0.141 0.000 2.032 369 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 369 K C 0.700 177.379 176.600 0.130 0.000 1.048 369 K CA 2.184 58.535 56.287 0.106 0.000 0.927 369 K CB 0.085 32.618 32.500 0.055 0.000 0.712 369 K HN 0.427 nan 8.250 nan 0.000 0.441 370 R N 0.395 121.003 120.500 0.180 0.000 2.483 370 R HA 0.324 4.664 4.340 -0.000 0.000 0.303 370 R C -1.211 175.281 176.300 0.320 0.000 0.987 370 R CA -0.388 55.845 56.100 0.222 0.000 0.881 370 R CB 0.782 31.200 30.300 0.196 0.000 1.177 370 R HN 0.153 nan 8.270 nan 0.000 0.451 371 M N 3.356 123.101 119.600 0.242 0.000 2.300 371 M HA 0.234 4.714 4.480 -0.000 0.000 0.348 371 M C 0.548 176.946 176.300 0.164 0.000 1.151 371 M CA -0.766 54.666 55.300 0.221 0.000 1.046 371 M CB 2.067 34.839 32.600 0.286 0.000 1.647 371 M HN 0.706 nan 8.290 nan 0.000 0.451 372 T N -0.200 114.386 114.554 0.053 0.000 2.748 372 T HA 0.188 4.538 4.350 -0.000 0.000 0.304 372 T C 1.291 176.030 174.700 0.066 0.000 1.041 372 T CA -0.163 61.966 62.100 0.048 0.000 1.033 372 T CB 0.800 69.617 68.868 -0.085 0.000 0.995 372 T HN 0.835 nan 8.240 nan 0.000 0.536 373 G N 0.285 109.110 108.800 0.042 0.000 2.408 373 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.217 373 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.217 373 G C 1.288 176.166 174.900 -0.035 0.000 1.150 373 G CA 0.468 45.563 45.100 -0.009 0.000 0.776 373 G HN 0.748 nan 8.290 nan 0.000 0.542 374 E N 0.131 120.350 120.200 0.032 0.000 2.047 374 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 374 E C 1.921 178.533 176.600 0.020 0.000 0.987 374 E CA 0.473 56.920 56.400 0.078 0.000 0.799 374 E CB -0.553 29.249 29.700 0.170 0.000 0.752 374 E HN 0.386 nan 8.360 nan 0.000 0.449 375 F N 1.134 121.038 119.950 -0.077 0.000 2.171 375 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 375 F C 2.087 177.804 175.800 -0.139 0.000 1.090 375 F CA 1.316 59.261 58.000 -0.092 0.000 1.293 375 F CB -0.524 38.419 39.000 -0.095 0.000 1.013 375 F HN 0.022 nan 8.300 nan 0.000 0.486 376 A N -0.081 122.624 122.820 -0.191 0.000 1.902 376 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 376 A C 1.995 179.349 177.584 -0.383 0.000 1.181 376 A CA 2.017 53.882 52.037 -0.288 0.000 0.623 376 A CB -1.022 17.881 19.000 -0.161 0.000 0.818 376 A HN 0.402 nan 8.150 nan 0.000 0.443 377 D N -0.011 120.134 120.400 -0.425 0.000 2.144 377 D HA -0.105 4.534 4.640 -0.000 0.000 0.199 377 D C 1.853 177.789 176.300 -0.607 0.000 0.984 377 D CA 1.020 54.683 54.000 -0.561 0.000 0.834 377 D CB -0.283 40.045 40.800 -0.786 0.000 0.955 377 D HN 0.532 nan 8.370 nan 0.000 0.465 378 I N 0.264 120.452 120.570 -0.637 0.000 2.202 378 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 378 I C 2.153 178.047 176.117 -0.372 0.000 1.091 378 I CA 0.744 61.789 61.300 -0.425 0.000 1.368 378 I CB -0.195 37.665 38.000 -0.233 0.000 1.058 378 I HN 0.006 nan 8.210 nan 0.000 0.410 379 M N 0.175 119.452 119.600 -0.538 0.000 2.296 379 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 379 M C 2.103 178.242 176.300 -0.268 0.000 1.064 379 M CA 1.537 56.563 55.300 -0.457 0.000 1.109 379 M CB -0.792 31.438 32.600 -0.618 0.000 1.396 379 M HN 0.267 nan 8.290 nan 0.000 0.430 380 L N -0.909 120.190 121.223 -0.206 0.000 2.592 380 L HA 0.208 4.548 4.340 -0.000 0.000 0.227 380 L C 1.277 178.122 176.870 -0.040 0.000 1.127 380 L CA 0.226 55.037 54.840 -0.049 0.000 0.884 380 L CB -0.366 41.741 42.059 0.080 0.000 1.065 380 L HN 0.543 nan 8.230 nan 0.000 0.457 381 G N -0.921 107.809 108.800 -0.117 0.000 2.143 381 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.249 381 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.249 381 G C 0.360 175.108 174.900 -0.253 0.000 0.981 381 G CA 0.076 45.071 45.100 -0.174 0.000 0.665 381 G HN 0.334 nan 8.290 nan 0.000 0.528 382 Y N -0.686 119.434 120.300 -0.299 0.000 2.583 382 Y HA 0.236 4.786 4.550 -0.000 0.000 0.293 382 Y C 2.169 177.933 175.900 -0.226 0.000 1.157 382 Y CA 1.047 58.968 58.100 -0.299 0.000 1.315 382 Y CB -0.073 38.175 38.460 -0.353 0.000 1.021 382 Y HN 0.592 nan 8.280 nan 0.000 0.536 383 Y N -0.972 119.251 120.300 -0.127 0.000 2.444 383 Y HA 0.411 4.961 4.550 -0.000 0.000 0.249 383 Y C 1.415 177.291 175.900 -0.039 0.000 1.134 383 Y CA -0.180 57.843 58.100 -0.129 0.000 1.261 383 Y CB 0.737 39.183 38.460 -0.022 0.000 1.143 383 Y HN 0.063 nan 8.280 nan 0.000 0.523 384 G N 0.774 109.612 108.800 0.063 0.000 2.362 384 G HA2 0.124 4.084 3.960 -0.000 0.000 0.517 384 G HA3 0.124 4.084 3.960 -0.000 0.000 0.517 384 G C -1.275 173.633 174.900 0.014 0.000 1.256 384 G CA -0.728 44.397 45.100 0.042 0.000 1.027 384 G HN 0.278 nan 8.290 nan 0.000 0.491 385 A N -0.373 122.456 122.820 0.016 0.000 2.340 385 A HA 0.795 5.115 4.320 -0.000 0.000 0.268 385 A C 0.771 178.374 177.584 0.033 0.000 1.100 385 A CA 0.924 52.965 52.037 0.006 0.000 0.803 385 A CB 0.586 19.587 19.000 0.003 0.000 1.043 385 A HN 1.740 nan 8.150 nan 0.000 0.488 386 S N 1.533 117.247 115.700 0.023 0.000 2.654 386 S HA 0.431 4.901 4.470 -0.000 0.000 0.283 386 S C -1.761 172.872 174.600 0.055 0.000 1.180 386 S CA -0.843 57.387 58.200 0.051 0.000 1.021 386 S CB 1.140 64.358 63.200 0.030 0.000 1.018 386 S HN 0.576 nan 8.310 nan 0.000 0.532 387 P HA 0.057 nan 4.420 nan 0.000 0.219 387 P C -0.233 177.061 177.300 -0.009 0.000 1.146 387 P CA 0.861 63.981 63.100 0.034 0.000 0.808 387 P CB 0.223 31.968 31.700 0.074 0.000 0.779 388 A N -1.429 121.424 122.820 0.055 0.000 2.532 388 A HA 0.438 4.757 4.320 -0.000 0.000 0.290 388 A C -0.988 176.613 177.584 0.029 0.000 1.143 388 A CA -0.706 51.365 52.037 0.057 0.000 0.728 388 A CB 0.773 19.879 19.000 0.177 0.000 1.317 388 A HN -0.224 nan 8.150 nan 0.000 0.414 389 D N 0.994 121.403 120.400 0.014 0.000 2.414 389 D HA 0.232 4.872 4.640 -0.000 0.000 0.242 389 D C -0.008 176.272 176.300 -0.033 0.000 1.129 389 D CA 0.563 54.555 54.000 -0.013 0.000 0.885 389 D CB 0.628 41.420 40.800 -0.013 0.000 1.198 389 D HN 0.365 nan 8.370 nan 0.000 0.437 390 R N 1.192 121.657 120.500 -0.057 0.000 2.410 390 R HA 0.086 4.426 4.340 -0.000 0.000 0.288 390 R C 0.029 176.280 176.300 -0.081 0.000 1.051 390 R CA -0.737 55.311 56.100 -0.087 0.000 1.021 390 R CB 0.737 30.968 30.300 -0.115 0.000 1.032 390 R HN 0.317 nan 8.270 nan 0.000 0.481 391 D N 3.712 124.061 120.400 -0.084 0.000 2.536 391 D HA -0.045 4.595 4.640 -0.000 0.000 0.260 391 D C -1.531 174.725 176.300 -0.074 0.000 1.270 391 D CA -1.173 52.789 54.000 -0.065 0.000 0.934 391 D CB 0.930 41.695 40.800 -0.058 0.000 1.129 391 D HN 0.240 nan 8.370 nan 0.000 0.533 392 P HA -0.147 nan 4.420 nan 0.000 0.219 392 P C 1.052 178.317 177.300 -0.059 0.000 1.146 392 P CA 1.284 64.350 63.100 -0.057 0.000 0.808 392 P CB 0.306 31.982 31.700 -0.040 0.000 0.779 393 K N -0.820 119.552 120.400 -0.047 0.000 2.057 393 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 393 K C 1.823 178.381 176.600 -0.069 0.000 1.050 393 K CA 1.141 57.405 56.287 -0.038 0.000 0.935 393 K CB -0.677 31.817 32.500 -0.010 0.000 0.715 393 K HN 0.024 nan 8.250 nan 0.000 0.439 394 V N 0.993 120.838 119.914 -0.114 0.000 2.667 394 V HA -0.151 3.969 4.120 -0.000 0.000 0.252 394 V C 2.128 178.090 176.094 -0.220 0.000 1.065 394 V CA 1.084 63.244 62.300 -0.233 0.000 1.083 394 V CB -0.068 31.541 31.823 -0.356 0.000 0.692 394 V HN 0.069 nan 8.190 nan 0.000 0.468 395 V N 0.042 119.855 119.914 -0.168 0.000 2.307 395 V HA -0.258 3.861 4.120 -0.000 0.000 0.245 395 V C 2.421 178.444 176.094 -0.120 0.000 1.045 395 V CA 2.271 64.475 62.300 -0.161 0.000 1.024 395 V CB -0.579 31.168 31.823 -0.127 0.000 0.651 395 V HN 0.522 nan 8.190 nan 0.000 0.449 396 K N -0.077 120.271 120.400 -0.087 0.000 2.032 396 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 396 K C 2.154 178.722 176.600 -0.055 0.000 1.048 396 K CA 1.660 57.911 56.287 -0.060 0.000 0.927 396 K CB -0.261 32.214 32.500 -0.042 0.000 0.712 396 K HN 0.366 nan 8.250 nan 0.000 0.441 397 L N 0.314 121.503 121.223 -0.058 0.000 2.042 397 L HA -0.204 4.135 4.340 -0.000 0.000 0.210 397 L C 2.615 179.460 176.870 -0.041 0.000 1.076 397 L CA 1.308 56.128 54.840 -0.034 0.000 0.749 397 L CB -0.628 41.417 42.059 -0.022 0.000 0.893 397 L HN 0.316 nan 8.230 nan 0.000 0.432 398 A N -0.252 122.517 122.820 -0.084 0.000 1.940 398 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 398 A C 2.270 179.804 177.584 -0.083 0.000 1.176 398 A CA 1.979 53.958 52.037 -0.097 0.000 0.631 398 A CB -0.492 18.395 19.000 -0.189 0.000 0.814 398 A HN 0.522 nan 8.150 nan 0.000 0.446 399 E N -0.179 119.977 120.200 -0.074 0.000 2.152 399 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 399 E C 1.573 178.149 176.600 -0.041 0.000 0.983 399 E CA 1.101 57.467 56.400 -0.057 0.000 0.818 399 E CB -0.073 29.599 29.700 -0.047 0.000 0.758 399 E HN 0.757 nan 8.360 nan 0.000 0.467 400 E N -0.232 119.950 120.200 -0.031 0.000 2.478 400 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 400 E C 1.466 178.060 176.600 -0.010 0.000 1.045 400 E CA 0.196 56.585 56.400 -0.018 0.000 0.868 400 E CB 0.334 30.028 29.700 -0.010 0.000 0.885 400 E HN 0.301 nan 8.360 nan 0.000 0.505 401 Q N -0.456 119.337 119.800 -0.012 0.000 2.281 401 Q HA 0.070 4.410 4.340 -0.000 0.000 0.215 401 Q C 1.591 177.583 176.000 -0.013 0.000 0.867 401 Q CA 0.523 56.328 55.803 0.003 0.000 0.940 401 Q CB 0.903 29.659 28.738 0.030 0.000 1.111 401 Q HN 0.176 nan 8.270 nan 0.000 0.513 402 S N -2.644 113.033 115.700 -0.039 0.000 2.727 402 S HA 0.286 4.756 4.470 -0.000 0.000 0.249 402 S C 1.411 175.972 174.600 -0.066 0.000 1.079 402 S CA 0.517 58.679 58.200 -0.064 0.000 0.912 402 S CB 0.921 64.055 63.200 -0.111 0.000 0.861 402 S HN 0.317 nan 8.310 nan 0.000 0.484 403 G N 1.660 110.426 108.800 -0.057 0.000 2.175 403 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 403 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 403 G C -0.107 174.761 174.900 -0.053 0.000 0.982 403 G CA 0.244 45.316 45.100 -0.046 0.000 0.641 403 G HN 0.620 nan 8.290 nan 0.000 0.527 404 K N 0.657 121.009 120.400 -0.080 0.000 2.118 404 K HA 0.487 4.807 4.320 -0.000 0.000 0.264 404 K C 0.332 176.932 176.600 0.001 0.000 1.000 404 K CA -0.407 55.838 56.287 -0.070 0.000 0.929 404 K CB 0.958 33.328 32.500 -0.216 0.000 1.021 404 K HN 0.156 nan 8.250 nan 0.000 0.463 405 K N 2.381 122.819 120.400 0.062 0.000 2.143 405 K HA 0.247 4.567 4.320 -0.000 0.000 0.272 405 K C -2.484 174.167 176.600 0.086 0.000 1.001 405 K CA -1.946 54.370 56.287 0.048 0.000 0.915 405 K CB 0.754 33.269 32.500 0.024 0.000 1.047 405 K HN 0.245 nan 8.250 nan 0.000 0.458 406 P HA 0.037 nan 4.420 nan 0.000 0.271 406 P C -0.497 176.747 177.300 -0.092 0.000 1.233 406 P CA -0.008 63.081 63.100 -0.019 0.000 0.764 406 P CB 0.244 31.915 31.700 -0.048 0.000 0.825 407 I N 0.247 120.691 120.570 -0.210 0.000 2.947 407 I HA 0.679 4.849 4.170 -0.000 0.000 0.314 407 I C 0.418 176.401 176.117 -0.223 0.000 1.028 407 I CA -0.638 60.503 61.300 -0.266 0.000 1.077 407 I CB 2.365 40.089 38.000 -0.460 0.000 1.274 407 I HN 0.256 nan 8.210 nan 0.000 0.485 408 T N -2.008 112.439 114.554 -0.178 0.000 3.186 408 T HA 0.191 4.540 4.350 -0.000 0.000 0.292 408 T C 0.367 175.000 174.700 -0.113 0.000 0.915 408 T CA -0.225 61.797 62.100 -0.131 0.000 0.902 408 T CB -0.093 68.720 68.868 -0.092 0.000 1.192 408 T HN 0.674 nan 8.240 nan 0.000 0.563 409 Q N 2.364 122.086 119.800 -0.129 0.000 2.199 409 Q HA 0.454 4.794 4.340 -0.000 0.000 0.232 409 Q C 0.056 175.995 176.000 -0.102 0.000 0.969 409 Q CA -0.969 54.776 55.803 -0.097 0.000 0.925 409 Q CB 1.006 29.690 28.738 -0.089 0.000 1.198 409 Q HN 0.353 nan 8.270 nan 0.000 0.494 410 R N 2.420 122.882 120.500 -0.063 0.000 2.486 410 R HA -0.034 4.306 4.340 -0.000 0.000 0.303 410 R C -1.716 174.546 176.300 -0.063 0.000 0.958 410 R CA -0.726 55.352 56.100 -0.037 0.000 1.077 410 R CB 0.086 30.378 30.300 -0.013 0.000 0.921 410 R HN 0.539 nan 8.270 nan 0.000 0.406 411 P HA -0.168 nan 4.420 nan 0.000 0.217 411 P C 0.504 177.773 177.300 -0.052 0.000 1.148 411 P CA 1.663 64.684 63.100 -0.132 0.000 0.828 411 P CB 0.159 31.707 31.700 -0.253 0.000 0.783 412 A N -0.662 122.177 122.820 0.030 0.000 2.172 412 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 412 A C 1.704 179.272 177.584 -0.026 0.000 1.154 412 A CA 1.458 53.508 52.037 0.021 0.000 0.701 412 A CB -1.234 17.786 19.000 0.034 0.000 0.789 412 A HN 0.075 nan 8.150 nan 0.000 0.465 413 D N -0.177 120.198 120.400 -0.042 0.000 2.264 413 D HA -0.055 4.585 4.640 -0.000 0.000 0.208 413 D C 1.579 177.853 176.300 -0.044 0.000 0.966 413 D CA 0.882 54.852 54.000 -0.050 0.000 0.864 413 D CB -0.038 40.728 40.800 -0.056 0.000 0.933 413 D HN 0.530 nan 8.370 nan 0.000 0.499 414 L N -0.527 120.670 121.223 -0.044 0.000 2.513 414 L HA 0.186 4.526 4.340 -0.000 0.000 0.222 414 L C 0.540 177.403 176.870 -0.013 0.000 1.096 414 L CA -0.102 54.719 54.840 -0.031 0.000 0.857 414 L CB 0.033 42.069 42.059 -0.038 0.000 1.026 414 L HN -0.100 nan 8.230 nan 0.000 0.469 415 L N 3.271 124.487 121.223 -0.011 0.000 2.410 415 L HA 0.200 4.540 4.340 -0.000 0.000 0.273 415 L C -1.845 175.031 176.870 0.011 0.000 1.144 415 L CA -1.443 53.398 54.840 0.002 0.000 0.863 415 L CB 0.208 42.270 42.059 0.005 0.000 1.140 415 L HN -0.106 nan 8.230 nan 0.000 0.463 416 P HA 0.370 nan 4.420 nan 0.000 0.280 416 P C -2.692 174.641 177.300 0.056 0.000 1.272 416 P CA -2.117 61.002 63.100 0.032 0.000 0.819 416 P CB 0.308 32.027 31.700 0.032 0.000 1.122 417 P HA 0.031 nan 4.420 nan 0.000 0.266 417 P C 0.388 177.763 177.300 0.124 0.000 1.195 417 P CA 0.556 63.716 63.100 0.099 0.000 0.768 417 P CB 0.200 31.955 31.700 0.092 0.000 0.838 418 E N 1.487 121.796 120.200 0.182 0.000 2.665 418 E HA 0.004 4.354 4.350 -0.000 0.000 0.225 418 E C 1.198 177.938 176.600 0.233 0.000 0.922 418 E CA -0.424 56.085 56.400 0.181 0.000 1.242 418 E CB -0.702 29.106 29.700 0.180 0.000 1.197 418 E HN 0.453 nan 8.360 nan 0.000 0.581 419 W N 2.550 123.909 121.300 0.097 0.000 2.315 419 W HA -0.234 4.426 4.660 -0.000 0.000 0.323 419 W C 1.426 178.002 176.519 0.096 0.000 1.233 419 W CA 2.372 59.780 57.345 0.104 0.000 1.267 419 W CB 0.081 29.594 29.460 0.088 0.000 1.160 419 W HN 0.118 nan 8.180 nan 0.000 0.474 420 E N 0.477 120.748 120.200 0.119 0.000 2.130 420 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 420 E C 2.097 178.649 176.600 -0.079 0.000 0.998 420 E CA 2.070 58.463 56.400 -0.012 0.000 0.806 420 E CB -0.559 29.190 29.700 0.081 0.000 0.738 420 E HN 0.265 nan 8.360 nan 0.000 0.459 421 K N -0.210 120.182 120.400 -0.014 0.000 2.097 421 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 421 K C 1.959 178.544 176.600 -0.026 0.000 1.050 421 K CA 1.043 57.327 56.287 -0.006 0.000 0.938 421 K CB 0.097 32.625 32.500 0.047 0.000 0.718 421 K HN 0.041 nan 8.250 nan 0.000 0.442 422 Q N 0.431 120.207 119.800 -0.040 0.000 2.046 422 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 422 Q C 2.282 178.163 176.000 -0.198 0.000 0.975 422 Q CA 1.501 57.310 55.803 0.009 0.000 0.836 422 Q CB -0.255 28.481 28.738 -0.004 0.000 0.896 422 Q HN 0.272 nan 8.270 nan 0.000 0.428 423 S N 1.279 116.709 115.700 -0.451 0.000 2.359 423 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 423 S C 1.877 176.248 174.600 -0.381 0.000 1.035 423 S CA 1.570 59.486 58.200 -0.472 0.000 1.018 423 S CB -0.194 62.710 63.200 -0.494 0.000 0.876 423 S HN 0.347 nan 8.310 nan 0.000 0.448 424 K N 1.227 121.465 120.400 -0.270 0.000 1.991 424 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 424 K C 2.031 178.450 176.600 -0.301 0.000 1.049 424 K CA 1.757 57.907 56.287 -0.229 0.000 0.932 424 K CB -0.225 32.195 32.500 -0.134 0.000 0.717 424 K HN 0.395 nan 8.250 nan 0.000 0.441 425 E N -0.028 120.003 120.200 -0.282 0.000 2.058 425 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 425 E C 2.033 178.208 176.600 -0.709 0.000 0.997 425 E CA 1.187 57.365 56.400 -0.369 0.000 0.801 425 E CB -0.197 29.386 29.700 -0.196 0.000 0.746 425 E HN 0.480 nan 8.360 nan 0.000 0.450 426 A N 1.499 123.771 122.820 -0.914 0.000 1.933 426 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 426 A C 2.354 179.243 177.584 -1.159 0.000 1.175 426 A CA 1.536 52.972 52.037 -1.002 0.000 0.628 426 A CB -0.528 18.102 19.000 -0.616 0.000 0.814 426 A HN 0.282 nan 8.150 nan 0.000 0.444 427 A N -0.381 121.733 122.820 -1.175 0.000 2.216 427 A HA 0.044 4.363 4.320 -0.000 0.000 0.214 427 A C 2.060 179.375 177.584 -0.449 0.000 1.160 427 A CA 1.902 53.324 52.037 -1.025 0.000 0.725 427 A CB -0.971 17.698 19.000 -0.551 0.000 0.784 427 A HN 0.769 nan 8.150 nan 0.000 0.472 428 T N -2.688 111.644 114.554 -0.370 0.000 3.086 428 T HA 0.422 4.772 4.350 -0.000 0.000 0.250 428 T C 0.336 174.968 174.700 -0.113 0.000 1.074 428 T CA -0.242 61.744 62.100 -0.189 0.000 0.988 428 T CB -0.440 68.332 68.868 -0.160 0.000 0.988 428 T HN 0.200 nan 8.240 nan 0.000 0.530 429 L N 2.094 123.253 121.223 -0.106 0.000 2.305 429 L HA 0.424 4.764 4.340 -0.000 0.000 0.281 429 L C 0.467 177.404 176.870 0.112 0.000 1.085 429 L CA -1.016 53.863 54.840 0.065 0.000 0.813 429 L CB 1.131 43.343 42.059 0.256 0.000 1.157 429 L HN 0.134 nan 8.230 nan 0.000 0.436 430 K N 2.317 122.774 120.400 0.096 0.000 2.436 430 K HA 0.219 4.539 4.320 -0.000 0.000 0.282 430 K C 0.927 177.580 176.600 0.089 0.000 1.044 430 K CA 0.983 57.307 56.287 0.063 0.000 1.028 430 K CB 0.267 32.785 32.500 0.031 0.000 0.919 430 K HN 0.841 nan 8.250 nan 0.000 0.474 431 G N 4.133 112.942 108.800 0.016 0.000 2.232 431 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.226 431 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.226 431 G C -0.004 174.738 174.900 -0.264 0.000 0.996 431 G CA -0.112 44.951 45.100 -0.062 0.000 0.626 431 G HN 0.682 nan 8.290 nan 0.000 0.509 432 F N 3.137 122.821 119.950 -0.444 0.000 2.602 432 F HA 0.349 4.876 4.527 -0.000 0.000 0.385 432 F C 1.330 176.884 175.800 -0.411 0.000 1.063 432 F CA 0.613 58.201 58.000 -0.686 0.000 1.233 432 F CB 0.650 39.416 39.000 -0.390 0.000 1.067 432 F HN 0.204 nan 8.300 nan 0.000 0.564 433 N N 3.504 121.591 118.700 -1.021 0.000 2.270 433 N HA 0.180 4.920 4.740 -0.000 0.000 0.198 433 N C 1.111 176.155 175.510 -0.776 0.000 1.117 433 N CA 0.394 53.040 53.050 -0.673 0.000 0.845 433 N CB 0.497 38.712 38.487 -0.452 0.000 0.980 433 N HN 0.924 nan 8.380 nan 0.000 0.486 434 G N -0.512 107.366 108.800 -1.538 0.000 2.184 434 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.264 434 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.264 434 G C 0.246 174.893 174.900 -0.422 0.000 0.975 434 G CA 0.833 45.472 45.100 -0.768 0.000 0.642 434 G HN 0.837 nan 8.290 nan 0.000 0.536 435 T N -2.199 112.050 114.554 -0.508 0.000 2.918 435 T HA 0.564 4.914 4.350 -0.000 0.000 0.283 435 T C 0.962 175.628 174.700 -0.056 0.000 1.001 435 T CA 0.236 62.205 62.100 -0.219 0.000 1.041 435 T CB 1.609 70.331 68.868 -0.244 0.000 1.028 435 T HN -0.088 nan 8.240 nan 0.000 0.511 436 D N 0.868 121.299 120.400 0.052 0.000 2.178 436 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 436 D C 1.842 178.228 176.300 0.144 0.000 0.980 436 D CA 1.137 55.303 54.000 0.277 0.000 0.842 436 D CB -0.120 40.828 40.800 0.246 0.000 0.948 436 D HN 0.723 nan 8.370 nan 0.000 0.472 437 E N 0.658 120.721 120.200 -0.228 0.000 2.085 437 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 437 E C 1.619 178.265 176.600 0.078 0.000 0.994 437 E CA 1.141 57.187 56.400 -0.589 0.000 0.801 437 E CB -0.118 28.911 29.700 -1.119 0.000 0.743 437 E HN 0.198 nan 8.360 nan 0.000 0.453 438 D N -0.789 119.686 120.400 0.125 0.000 2.117 438 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 438 D C 1.836 178.566 176.300 0.717 0.000 0.982 438 D CA 0.586 54.834 54.000 0.414 0.000 0.828 438 D CB 0.007 40.708 40.800 -0.165 0.000 0.967 438 D HN -0.012 nan 8.370 nan 0.000 0.464 439 V N 0.642 120.902 119.914 0.576 0.000 2.343 439 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 439 V C 2.520 178.905 176.094 0.485 0.000 1.051 439 V CA 1.158 63.730 62.300 0.452 0.000 1.036 439 V CB -0.454 31.377 31.823 0.014 0.000 0.654 439 V HN 0.245 nan 8.190 nan 0.000 0.451 440 L N -0.370 121.197 121.223 0.574 0.000 2.046 440 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 440 L C 2.649 179.891 176.870 0.620 0.000 1.077 440 L CA 1.973 57.183 54.840 0.618 0.000 0.747 440 L CB -0.945 41.569 42.059 0.758 0.000 0.896 440 L HN 0.333 nan 8.230 nan 0.000 0.432 441 T N -1.405 113.637 114.554 0.813 0.000 2.759 441 T HA -0.259 4.091 4.350 -0.000 0.000 0.269 441 T C 1.655 176.715 174.700 0.599 0.000 1.042 441 T CA 1.499 64.107 62.100 0.846 0.000 1.140 441 T CB -0.324 69.091 68.868 0.911 0.000 0.864 441 T HN 0.336 nan 8.240 nan 0.000 0.455 442 Y N 1.841 122.419 120.300 0.462 0.000 2.220 442 Y HA 0.136 4.685 4.550 -0.000 0.000 0.291 442 Y C 2.450 178.496 175.900 0.244 0.000 1.129 442 Y CA 0.664 58.942 58.100 0.297 0.000 1.161 442 Y CB -0.700 37.941 38.460 0.302 0.000 0.997 442 Y HN 0.160 nan 8.280 nan 0.000 0.522 443 A N 0.181 123.086 122.820 0.142 0.000 1.930 443 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 443 A C 2.229 179.827 177.584 0.023 0.000 1.175 443 A CA 1.758 53.827 52.037 0.052 0.000 0.627 443 A CB -0.973 18.113 19.000 0.145 0.000 0.815 443 A HN 0.538 nan 8.150 nan 0.000 0.443 444 L N -2.752 118.435 121.223 -0.060 0.000 2.162 444 L HA 0.092 4.431 4.340 -0.000 0.000 0.205 444 L C 0.043 176.556 176.870 -0.594 0.000 1.086 444 L CA 0.625 55.245 54.840 -0.367 0.000 0.778 444 L CB -0.006 41.766 42.059 -0.479 0.000 0.928 444 L HN 0.356 nan 8.230 nan 0.000 0.446 445 F N -1.304 118.704 119.950 0.097 0.000 2.710 445 F HA 0.309 4.836 4.527 -0.000 0.000 0.345 445 F C -1.864 173.895 175.800 -0.069 0.000 1.362 445 F CA -1.622 56.399 58.000 0.034 0.000 1.175 445 F CB 0.473 39.494 39.000 0.034 0.000 1.561 445 F HN -0.225 nan 8.300 nan 0.000 0.593 446 P HA -0.204 nan 4.420 nan 0.000 0.216 446 P C 1.437 178.717 177.300 -0.033 0.000 1.150 446 P CA 1.515 64.455 63.100 -0.266 0.000 0.843 446 P CB 0.308 31.808 31.700 -0.334 0.000 0.787 447 Q N -1.201 118.583 119.800 -0.025 0.000 2.331 447 Q HA 0.030 4.370 4.340 -0.000 0.000 0.203 447 Q C 1.957 177.982 176.000 0.042 0.000 0.944 447 Q CA 0.917 56.725 55.803 0.008 0.000 0.892 447 Q CB -0.555 28.167 28.738 -0.026 0.000 0.983 447 Q HN 0.236 nan 8.270 nan 0.000 0.482 448 V N 0.215 120.166 119.914 0.061 0.000 2.922 448 V HA 0.081 4.201 4.120 -0.000 0.000 0.242 448 V C 2.270 178.381 176.094 0.028 0.000 1.094 448 V CA 0.955 63.275 62.300 0.032 0.000 1.106 448 V CB -0.697 31.104 31.823 -0.036 0.000 0.799 448 V HN 0.185 nan 8.190 nan 0.000 0.474 449 A N 1.210 124.034 122.820 0.006 0.000 1.915 449 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 449 A C 0.446 177.816 177.584 -0.356 0.000 1.198 449 A CA 2.679 54.553 52.037 -0.271 0.000 0.647 449 A CB -2.017 16.916 19.000 -0.112 0.000 0.825 449 A HN 0.512 nan 8.150 nan 0.000 0.456 450 P HA -0.134 nan 4.420 nan 0.000 0.213 450 P C 1.692 179.053 177.300 0.101 0.000 1.170 450 P CA 1.703 64.848 63.100 0.075 0.000 0.902 450 P CB -0.181 31.584 31.700 0.109 0.000 0.789 451 V N -1.043 118.943 119.914 0.120 0.000 2.343 451 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 451 V C 2.230 178.489 176.094 0.274 0.000 1.051 451 V CA 1.759 64.180 62.300 0.202 0.000 1.036 451 V CB -1.351 30.594 31.823 0.203 0.000 0.654 451 V HN 0.021 nan 8.190 nan 0.000 0.451 452 F N 0.488 120.478 119.950 0.067 0.000 2.146 452 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 452 F C 2.113 178.061 175.800 0.246 0.000 1.096 452 F CA 1.304 59.366 58.000 0.103 0.000 1.275 452 F CB -0.592 38.401 39.000 -0.012 0.000 1.008 452 F HN 0.131 nan 8.300 nan 0.000 0.480 453 F N 1.013 120.920 119.950 -0.071 0.000 2.171 453 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 453 F C 2.325 178.011 175.800 -0.189 0.000 1.090 453 F CA 0.995 58.880 58.000 -0.193 0.000 1.293 453 F CB -0.423 38.603 39.000 0.044 0.000 1.013 453 F HN 0.190 nan 8.300 nan 0.000 0.486 454 E N -1.237 118.993 120.200 0.051 0.000 2.479 454 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 454 E C 1.078 177.535 176.600 -0.238 0.000 1.049 454 E CA 0.561 56.897 56.400 -0.107 0.000 0.870 454 E CB -0.185 29.424 29.700 -0.153 0.000 0.944 454 E HN 0.473 nan 8.360 nan 0.000 0.492 455 H N 0.271 119.335 119.070 -0.010 0.000 2.885 455 H HA 0.209 4.764 4.556 -0.000 0.000 0.260 455 H C 1.722 177.023 175.328 -0.045 0.000 0.985 455 H CA 0.248 56.306 56.048 0.017 0.000 1.210 455 H CB 0.414 30.229 29.762 0.089 0.000 1.466 455 H HN 0.155 nan 8.280 nan 0.000 0.493 456 R N 1.514 121.943 120.500 -0.118 0.000 2.133 456 R HA -0.151 4.189 4.340 -0.000 0.000 0.247 456 R C 2.021 178.272 176.300 -0.082 0.000 1.151 456 R CA 1.442 57.401 56.100 -0.235 0.000 0.971 456 R CB -0.098 29.838 30.300 -0.608 0.000 0.866 456 R HN 0.180 nan 8.270 nan 0.000 0.447 457 A N 0.778 123.564 122.820 -0.057 0.000 2.131 457 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 457 A C 1.647 179.245 177.584 0.022 0.000 1.158 457 A CA 1.539 53.562 52.037 -0.022 0.000 0.665 457 A CB -0.330 18.656 19.000 -0.023 0.000 0.795 457 A HN 0.591 nan 8.150 nan 0.000 0.460 458 E N -0.990 119.249 120.200 0.066 0.000 2.347 458 E HA 0.291 4.641 4.350 -0.000 0.000 0.196 458 E C 0.977 177.623 176.600 0.076 0.000 1.008 458 E CA 0.223 56.700 56.400 0.128 0.000 0.852 458 E CB -0.177 29.688 29.700 0.276 0.000 0.783 458 E HN 0.746 nan 8.360 nan 0.000 0.505 459 G N 2.068 110.850 108.800 -0.029 0.000 2.690 459 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 459 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 459 G C -2.892 171.830 174.900 -0.296 0.000 1.277 459 G CA -0.835 44.219 45.100 -0.076 0.000 0.799 459 G HN -0.102 nan 8.290 nan 0.000 0.613 460 P HA 0.282 nan 4.420 nan 0.000 0.271 460 P C -0.403 176.744 177.300 -0.255 0.000 1.218 460 P CA 0.212 63.176 63.100 -0.227 0.000 0.780 460 P CB 0.729 32.391 31.700 -0.062 0.000 0.901 461 H N -0.664 118.448 119.070 0.070 0.000 2.960 461 H HA 0.577 5.133 4.556 -0.000 0.000 0.302 461 H C -0.233 175.128 175.328 0.055 0.000 1.515 461 H CA -0.740 55.341 56.048 0.055 0.000 1.431 461 H CB 1.249 31.043 29.762 0.053 0.000 1.890 461 H HN 0.345 nan 8.280 nan 0.000 0.762 462 S N 0.183 116.002 115.700 0.199 0.000 2.538 462 S HA 0.344 4.814 4.470 -0.000 0.000 0.288 462 S C 0.334 174.984 174.600 0.083 0.000 1.108 462 S CA -0.590 57.678 58.200 0.114 0.000 0.971 462 S CB 0.747 63.992 63.200 0.075 0.000 1.041 462 S HN 0.464 nan 8.310 nan 0.000 0.483 463 V N 2.036 121.991 119.914 0.068 0.000 3.376 463 V HA 0.689 4.808 4.120 -0.000 0.000 0.313 463 V C 0.722 176.885 176.094 0.115 0.000 1.393 463 V CA 0.191 62.550 62.300 0.098 0.000 1.125 463 V CB -0.607 31.290 31.823 0.124 0.000 1.037 463 V HN 0.814 nan 8.190 nan 0.000 0.440 464 A N 0.778 123.558 122.820 -0.066 0.000 2.271 464 A HA 0.746 5.066 4.320 -0.000 0.000 0.288 464 A C 0.065 177.546 177.584 -0.171 0.000 1.094 464 A CA -0.671 51.193 52.037 -0.288 0.000 0.828 464 A CB 0.498 18.942 19.000 -0.927 0.000 1.091 464 A HN 0.470 nan 8.150 nan 0.000 0.493 465 L N 1.052 122.168 121.223 -0.178 0.000 2.461 465 L HA 0.242 4.582 4.340 -0.000 0.000 0.272 465 L C 1.292 178.103 176.870 -0.099 0.000 1.197 465 L CA -0.241 54.533 54.840 -0.110 0.000 0.836 465 L CB 0.541 42.544 42.059 -0.094 0.000 1.105 465 L HN 0.947 nan 8.230 nan 0.000 0.477 466 T N -2.877 111.639 114.554 -0.063 0.000 2.874 466 T HA 0.115 4.465 4.350 -0.000 0.000 0.281 466 T C 0.778 175.456 174.700 -0.038 0.000 0.994 466 T CA -0.884 61.189 62.100 -0.045 0.000 1.015 466 T CB 1.148 69.998 68.868 -0.030 0.000 1.028 466 T HN 0.526 nan 8.240 nan 0.000 0.523 467 D N 0.866 121.249 120.400 -0.027 0.000 2.149 467 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 467 D C 2.308 178.596 176.300 -0.020 0.000 0.990 467 D CA 1.592 55.579 54.000 -0.022 0.000 0.839 467 D CB -0.579 40.212 40.800 -0.016 0.000 0.948 467 D HN 0.737 nan 8.370 nan 0.000 0.460 468 A N 1.190 123.998 122.820 -0.019 0.000 1.877 468 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 468 A C 2.168 179.739 177.584 -0.021 0.000 1.186 468 A CA 1.413 53.440 52.037 -0.017 0.000 0.620 468 A CB -0.673 18.317 19.000 -0.016 0.000 0.822 468 A HN 0.210 nan 8.150 nan 0.000 0.443 469 Q N -0.595 119.189 119.800 -0.027 0.000 2.224 469 Q HA -0.020 4.320 4.340 -0.000 0.000 0.203 469 Q C 2.036 178.017 176.000 -0.031 0.000 0.970 469 Q CA 0.987 56.771 55.803 -0.031 0.000 0.865 469 Q CB -0.258 28.456 28.738 -0.040 0.000 0.922 469 Q HN 0.666 nan 8.270 nan 0.000 0.445 470 L N 0.565 121.770 121.223 -0.029 0.000 2.027 470 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 470 L C 2.112 178.971 176.870 -0.018 0.000 1.074 470 L CA 1.280 56.106 54.840 -0.024 0.000 0.745 470 L CB -0.215 41.831 42.059 -0.021 0.000 0.898 470 L HN 0.142 nan 8.230 nan 0.000 0.433 471 K N -0.183 120.207 120.400 -0.016 0.000 2.280 471 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 471 K C 2.064 178.656 176.600 -0.013 0.000 1.047 471 K CA 1.010 57.289 56.287 -0.012 0.000 0.942 471 K CB -0.123 32.371 32.500 -0.011 0.000 0.739 471 K HN 0.287 nan 8.250 nan 0.000 0.457 472 A N 1.792 124.602 122.820 -0.017 0.000 1.897 472 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 472 A C 1.881 179.455 177.584 -0.017 0.000 1.181 472 A CA 1.111 53.138 52.037 -0.017 0.000 0.620 472 A CB -0.150 18.838 19.000 -0.020 0.000 0.821 472 A HN 0.185 nan 8.150 nan 0.000 0.443 473 E N 0.276 120.464 120.200 -0.020 0.000 2.153 473 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 473 E C 1.261 177.853 176.600 -0.015 0.000 0.988 473 E CA 0.701 57.089 56.400 -0.020 0.000 0.811 473 E CB -0.300 29.386 29.700 -0.023 0.000 0.746 473 E HN 0.606 nan 8.360 nan 0.000 0.466 474 A N 0.000 122.813 122.820 -0.012 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 474 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486