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 2yzg_1_C DATA FIRST_RESID 2 DATA SEQUENCE RVLLIAGGVS PEHEVSLLSA EGVLRHIPFP TDLAVIAQDG RWLLGEKALT DATA SEQUENCE ALEAKAAPEG EHPFPPPLSW ERYDVVFPLL HGRFGEDGTV QGFLELLGKP DATA SEQUENCE YVGAGVAASA LCXDKDLSKR VLAQAGVPVV PWVAVRKGEP PVVPFDPPFF DATA SEQUENCE VKPANTGSSV GISRVERFQD LEAALALAFR YDEKAVVEKA LSPVRELEVG DATA SEQUENCE VLGNVFGEAS PVGEVRYEAP XXXXXXXXXX GRAELLIPAP LDPGTQETVQ DATA SEQUENCE ELALKAYKVL GVRGXARVDF FLAEGELYLN ELNTIPGFTP TSXYPRLFEA DATA SEQUENCE GGVAYPELLR RLVELALT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.384 176.300 0.140 0.000 0.893 2 R CA 0.000 56.111 56.100 0.018 0.000 0.921 2 R CB 0.000 30.229 30.300 -0.119 0.000 0.687 3 V N 5.541 125.573 119.914 0.196 0.000 2.370 3 V HA 0.489 4.596 4.120 -0.022 0.000 0.283 3 V C -0.445 175.834 176.094 0.308 0.000 1.023 3 V CA -0.831 61.605 62.300 0.227 0.000 0.857 3 V CB 1.356 33.274 31.823 0.159 0.000 0.985 3 V HN 0.663 nan 8.190 nan 0.000 0.443 4 L N 6.544 127.895 121.223 0.212 0.000 2.265 4 L HA 0.600 4.927 4.340 -0.022 0.000 0.288 4 L C -0.658 176.226 176.870 0.022 0.000 1.058 4 L CA 0.068 54.849 54.840 -0.098 0.000 0.809 4 L CB 1.150 42.784 42.059 -0.708 0.000 1.179 4 L HN 0.579 nan 8.230 nan 0.000 0.429 5 L N 6.113 127.341 121.223 0.008 0.000 2.334 5 L HA 0.623 4.950 4.340 -0.022 0.000 0.275 5 L C -0.815 176.039 176.870 -0.027 0.000 1.036 5 L CA -0.148 54.678 54.840 -0.023 0.000 0.807 5 L CB 1.396 43.402 42.059 -0.089 0.000 1.231 5 L HN 0.471 nan 8.230 nan 0.000 0.438 6 I N 4.482 125.025 120.570 -0.044 0.000 2.468 6 I HA 0.617 4.774 4.170 -0.022 0.000 0.284 6 I C -0.171 175.866 176.117 -0.134 0.000 1.038 6 I CA -0.265 60.995 61.300 -0.067 0.000 1.083 6 I CB 0.830 38.832 38.000 0.003 0.000 1.223 6 I HN 0.744 nan 8.210 nan 0.000 0.443 7 A N 3.857 126.580 122.820 -0.160 0.000 2.548 7 A HA 0.998 5.305 4.320 -0.022 0.000 0.262 7 A C 0.652 178.129 177.584 -0.177 0.000 1.271 7 A CA -0.017 51.924 52.037 -0.160 0.000 0.839 7 A CB 1.044 19.954 19.000 -0.150 0.000 1.381 7 A HN 1.148 nan 8.150 nan 0.000 0.468 8 G N -1.018 107.653 108.800 -0.215 0.000 3.031 8 G HA2 0.408 4.355 3.960 -0.022 0.000 0.289 8 G HA3 0.408 4.355 3.960 -0.022 0.000 0.289 8 G C 1.694 176.564 174.900 -0.050 0.000 1.393 8 G CA 1.212 46.094 45.100 -0.363 0.000 1.010 8 G HN 3.131 nan 8.290 nan 0.000 0.579 9 G N -2.379 106.472 108.800 0.085 0.000 2.781 9 G HA2 0.265 4.212 3.960 -0.022 0.000 0.683 9 G HA3 0.265 4.212 3.960 -0.022 0.000 0.683 9 G C -0.246 174.770 174.900 0.193 0.000 1.390 9 G CA 0.277 45.434 45.100 0.095 0.000 0.850 9 G HN 1.888 nan 8.290 nan 0.000 0.557 10 V N 2.126 122.084 119.914 0.073 0.000 2.221 10 V HA 0.650 4.757 4.120 -0.022 0.000 0.258 10 V C 0.679 176.830 176.094 0.095 0.000 1.179 10 V CA 0.740 63.059 62.300 0.032 0.000 1.022 10 V CB -0.186 31.616 31.823 -0.035 0.000 1.228 10 V HN 1.801 nan 8.190 nan 0.000 0.487 11 S N 3.947 119.710 115.700 0.105 0.000 2.578 11 S HA 0.523 4.980 4.470 -0.022 0.000 0.272 11 S C -2.663 171.988 174.600 0.084 0.000 1.145 11 S CA -0.912 57.349 58.200 0.100 0.000 0.835 11 S CB 2.059 65.333 63.200 0.122 0.000 1.104 11 S HN 0.194 nan 8.310 nan 0.000 0.458 12 P HA -0.046 nan 4.420 nan 0.000 0.218 12 P C 0.376 177.697 177.300 0.036 0.000 1.146 12 P CA 1.306 64.421 63.100 0.024 0.000 0.813 12 P CB -0.021 31.669 31.700 -0.018 0.000 0.778 13 E N -2.706 117.513 120.200 0.033 0.000 2.463 13 E HA -0.082 4.255 4.350 -0.022 0.000 0.191 13 E C 1.402 178.044 176.600 0.069 0.000 1.083 13 E CA 0.123 56.520 56.400 -0.005 0.000 0.872 13 E CB -0.942 28.683 29.700 -0.125 0.000 0.966 13 E HN 0.411 nan 8.360 nan 0.000 0.491 14 H N 0.792 119.872 119.070 0.018 0.000 2.319 14 H HA -0.178 4.364 4.556 -0.023 0.000 0.297 14 H C 1.765 177.105 175.328 0.020 0.000 1.097 14 H CA 2.100 58.162 56.048 0.023 0.000 1.285 14 H CB 0.347 30.114 29.762 0.008 0.000 1.368 14 H HN 0.098 nan 8.280 nan 0.000 0.495 15 E N -0.349 119.904 120.200 0.088 0.000 2.021 15 E HA -0.164 4.173 4.350 -0.022 0.000 0.200 15 E C 2.467 179.056 176.600 -0.018 0.000 1.015 15 E CA 1.761 58.177 56.400 0.027 0.000 0.824 15 E CB -0.466 29.258 29.700 0.039 0.000 0.762 15 E HN 0.308 nan 8.360 nan 0.000 0.454 16 V N 0.382 120.288 119.914 -0.013 0.000 2.278 16 V HA -0.337 3.770 4.120 -0.022 0.000 0.251 16 V C 2.414 178.531 176.094 0.038 0.000 1.062 16 V CA 2.131 64.421 62.300 -0.017 0.000 1.038 16 V CB -1.043 30.716 31.823 -0.108 0.000 0.646 16 V HN 0.332 nan 8.190 nan 0.000 0.447 17 S N -0.392 115.350 115.700 0.071 0.000 2.365 17 S HA -0.189 4.268 4.470 -0.022 0.000 0.225 17 S C 1.895 176.487 174.600 -0.013 0.000 1.039 17 S CA 2.035 60.299 58.200 0.106 0.000 1.033 17 S CB -0.379 62.855 63.200 0.056 0.000 0.887 17 S HN 0.527 nan 8.310 nan 0.000 0.447 18 L N 0.724 121.887 121.223 -0.102 0.000 2.141 18 L HA 0.008 4.335 4.340 -0.022 0.000 0.209 18 L C 2.389 179.244 176.870 -0.024 0.000 1.094 18 L CA 0.786 55.567 54.840 -0.098 0.000 0.763 18 L CB -0.445 41.523 42.059 -0.152 0.000 0.908 18 L HN 0.329 nan 8.230 nan 0.000 0.437 19 L N -1.076 120.148 121.223 0.003 0.000 2.275 19 L HA -0.156 4.171 4.340 -0.022 0.000 0.215 19 L C 2.536 179.452 176.870 0.077 0.000 1.119 19 L CA 0.729 55.590 54.840 0.036 0.000 0.790 19 L CB -0.232 41.848 42.059 0.035 0.000 0.919 19 L HN 0.198 nan 8.230 nan 0.000 0.443 20 S N -0.508 115.249 115.700 0.096 0.000 2.388 20 S HA -0.003 4.454 4.470 -0.022 0.000 0.223 20 S C 2.197 176.870 174.600 0.122 0.000 1.034 20 S CA 0.837 59.141 58.200 0.173 0.000 0.963 20 S CB 0.002 63.352 63.200 0.250 0.000 0.827 20 S HN 0.468 nan 8.310 nan 0.000 0.481 21 A N 1.785 124.614 122.820 0.015 0.000 1.883 21 A HA -0.212 4.095 4.320 -0.022 0.000 0.217 21 A C 1.963 179.545 177.584 -0.003 0.000 1.186 21 A CA 1.984 53.984 52.037 -0.062 0.000 0.624 21 A CB -0.759 18.186 19.000 -0.092 0.000 0.822 21 A HN 0.620 nan 8.150 nan 0.000 0.444 22 E N -0.487 119.731 120.200 0.031 0.000 2.160 22 E HA -0.127 4.210 4.350 -0.022 0.000 0.195 22 E C 1.935 178.603 176.600 0.112 0.000 0.991 22 E CA 1.258 57.688 56.400 0.051 0.000 0.810 22 E CB -0.466 29.263 29.700 0.049 0.000 0.742 22 E HN 0.512 nan 8.360 nan 0.000 0.466 23 G N 0.301 109.216 108.800 0.191 0.000 2.404 23 G HA2 -0.206 3.741 3.960 -0.022 0.000 0.215 23 G HA3 -0.206 3.741 3.960 -0.022 0.000 0.215 23 G C 1.651 176.790 174.900 0.399 0.000 1.174 23 G CA 0.802 46.126 45.100 0.374 0.000 0.780 23 G HN 0.232 nan 8.290 nan 0.000 0.537 24 V N 0.652 120.704 119.914 0.230 0.000 2.295 24 V HA -0.125 3.982 4.120 -0.022 0.000 0.246 24 V C 2.827 178.938 176.094 0.029 0.000 1.049 24 V CA 1.344 63.685 62.300 0.069 0.000 1.024 24 V CB -0.466 31.254 31.823 -0.172 0.000 0.648 24 V HN 0.241 nan 8.190 nan 0.000 0.447 25 L N 0.681 121.911 121.223 0.013 0.000 2.081 25 L HA -0.151 4.176 4.340 -0.022 0.000 0.212 25 L C 2.204 179.063 176.870 -0.019 0.000 1.080 25 L CA 1.952 56.791 54.840 -0.001 0.000 0.754 25 L CB -0.657 41.399 42.059 -0.005 0.000 0.893 25 L HN 0.494 nan 8.230 nan 0.000 0.433 26 R N -2.468 118.012 120.500 -0.034 0.000 2.893 26 R HA 0.157 4.484 4.340 -0.022 0.000 0.317 26 R C 0.156 176.188 176.300 -0.448 0.000 1.239 26 R CA 0.065 56.056 56.100 -0.181 0.000 1.128 26 R CB -0.227 29.960 30.300 -0.188 0.000 1.377 26 R HN 0.359 nan 8.270 nan 0.000 0.583 27 H N -0.720 118.321 119.070 -0.049 0.000 3.032 27 H HA 0.112 4.655 4.556 -0.022 0.000 0.202 27 H C 0.172 175.388 175.328 -0.186 0.000 0.984 27 H CA -0.444 55.524 56.048 -0.133 0.000 0.921 27 H CB 0.314 29.907 29.762 -0.282 0.000 0.990 27 H HN 0.184 nan 8.280 nan 0.000 0.622 28 I N 5.987 126.536 120.570 -0.035 0.000 2.752 28 I HA 0.004 4.161 4.170 -0.022 0.000 0.287 28 I C -1.339 174.737 176.117 -0.068 0.000 1.188 28 I CA -0.982 60.302 61.300 -0.027 0.000 1.427 28 I CB 1.125 39.164 38.000 0.065 0.000 1.365 28 I HN -0.018 nan 8.210 nan 0.000 0.585 29 P HA 0.202 nan 4.420 nan 0.000 0.263 29 P C -0.811 176.200 177.300 -0.481 0.000 1.448 29 P CA 0.167 63.059 63.100 -0.348 0.000 0.983 29 P CB -0.057 31.362 31.700 -0.469 0.000 1.481 30 F N 0.854 120.812 119.950 0.014 0.000 2.593 30 F HA 0.501 5.015 4.527 -0.021 0.000 0.320 30 F C -2.158 173.658 175.800 0.027 0.000 1.060 30 F CA -2.977 55.036 58.000 0.023 0.000 0.940 30 F CB 0.495 39.516 39.000 0.036 0.000 1.268 30 F HN -0.321 nan 8.300 nan 0.000 0.475 31 P HA 0.127 nan 4.420 nan 0.000 0.266 31 P C -0.595 176.799 177.300 0.156 0.000 1.215 31 P CA 0.062 63.243 63.100 0.135 0.000 0.763 31 P CB 0.646 32.401 31.700 0.091 0.000 0.806 32 T N 2.493 117.127 114.554 0.134 0.000 2.879 32 T HA 0.281 4.618 4.350 -0.022 0.000 0.290 32 T C -0.941 173.840 174.700 0.136 0.000 0.993 32 T CA -0.733 61.459 62.100 0.153 0.000 0.975 32 T CB 0.444 69.392 68.868 0.135 0.000 0.981 32 T HN 0.089 nan 8.240 nan 0.000 0.439 33 D N 3.017 123.543 120.400 0.209 0.000 2.225 33 D HA 0.446 5.073 4.640 -0.022 0.000 0.249 33 D C -0.331 176.025 176.300 0.095 0.000 1.052 33 D CA -0.306 53.806 54.000 0.186 0.000 0.909 33 D CB 1.637 42.657 40.800 0.368 0.000 1.186 33 D HN 0.384 nan 8.370 nan 0.000 0.431 34 L N 1.207 122.464 121.223 0.057 0.000 2.331 34 L HA 0.715 5.042 4.340 -0.022 0.000 0.275 34 L C -1.137 175.747 176.870 0.023 0.000 1.022 34 L CA -0.591 54.260 54.840 0.018 0.000 0.812 34 L CB 1.546 43.608 42.059 0.006 0.000 1.257 34 L HN 0.418 nan 8.230 nan 0.000 0.435 35 A N 4.335 127.163 122.820 0.014 0.000 2.408 35 A HA 0.753 5.060 4.320 -0.022 0.000 0.295 35 A C -1.591 175.981 177.584 -0.021 0.000 1.040 35 A CA -0.511 51.565 52.037 0.064 0.000 0.707 35 A CB 1.432 20.532 19.000 0.167 0.000 1.235 35 A HN 0.494 nan 8.150 nan 0.000 0.418 36 V N 2.917 122.822 119.914 -0.016 0.000 2.667 36 V HA 0.515 4.622 4.120 -0.022 0.000 0.308 36 V C -0.279 175.689 176.094 -0.209 0.000 1.048 36 V CA -0.446 61.792 62.300 -0.104 0.000 0.928 36 V CB 1.910 33.718 31.823 -0.024 0.000 1.004 36 V HN 0.763 nan 8.190 nan 0.000 0.444 37 I N 3.306 123.700 120.570 -0.293 0.000 2.354 37 I HA 0.556 4.713 4.170 -0.022 0.000 0.286 37 I C 0.554 176.642 176.117 -0.048 0.000 1.007 37 I CA -0.342 60.741 61.300 -0.362 0.000 1.167 37 I CB 1.470 39.163 38.000 -0.511 0.000 1.320 37 I HN 0.749 nan 8.210 nan 0.000 0.458 38 A N 4.842 127.658 122.820 -0.007 0.000 2.332 38 A HA 0.228 4.535 4.320 -0.022 0.000 0.258 38 A C 0.982 178.518 177.584 -0.080 0.000 1.087 38 A CA -0.210 51.840 52.037 0.021 0.000 0.802 38 A CB 0.447 19.456 19.000 0.016 0.000 1.042 38 A HN 0.809 nan 8.150 nan 0.000 0.489 39 Q N -0.146 119.507 119.800 -0.244 0.000 2.389 39 Q HA -0.193 4.134 4.340 -0.022 0.000 0.213 39 Q C 0.401 176.329 176.000 -0.120 0.000 0.989 39 Q CA 1.829 57.487 55.803 -0.241 0.000 0.891 39 Q CB -0.040 28.508 28.738 -0.317 0.000 0.923 39 Q HN 0.757 nan 8.270 nan 0.000 0.455 40 D N -1.541 118.812 120.400 -0.080 0.000 2.317 40 D HA 0.021 4.648 4.640 -0.022 0.000 0.211 40 D C 1.258 177.537 176.300 -0.036 0.000 0.966 40 D CA 1.096 55.069 54.000 -0.045 0.000 0.876 40 D CB 0.207 40.996 40.800 -0.017 0.000 0.927 40 D HN 0.388 nan 8.370 nan 0.000 0.519 41 G N 0.487 109.265 108.800 -0.037 0.000 2.176 41 G HA2 -0.285 3.662 3.960 -0.022 0.000 0.232 41 G HA3 -0.285 3.662 3.960 -0.022 0.000 0.232 41 G C 0.427 175.400 174.900 0.121 0.000 0.986 41 G CA -0.319 44.765 45.100 -0.026 0.000 0.643 41 G HN 0.287 nan 8.290 nan 0.000 0.522 42 R N -0.510 120.068 120.500 0.130 0.000 2.349 42 R HA 0.464 4.791 4.340 -0.022 0.000 0.299 42 R C -0.203 176.285 176.300 0.313 0.000 1.027 42 R CA -0.677 55.576 56.100 0.255 0.000 0.958 42 R CB 0.521 30.908 30.300 0.146 0.000 1.047 42 R HN 0.187 nan 8.270 nan 0.000 0.468 43 W N 3.448 124.844 121.300 0.160 0.000 2.237 43 W HA 0.296 4.941 4.660 -0.025 0.000 0.335 43 W C -0.129 176.515 176.519 0.209 0.000 1.230 43 W CA -0.194 57.251 57.345 0.167 0.000 1.253 43 W CB 0.402 29.953 29.460 0.151 0.000 1.129 43 W HN 0.246 nan 8.180 nan 0.000 0.590 44 L N 3.747 125.196 121.223 0.376 0.000 2.343 44 L HA 0.429 4.756 4.340 -0.022 0.000 0.278 44 L C -0.196 176.818 176.870 0.240 0.000 0.996 44 L CA -0.627 54.386 54.840 0.289 0.000 0.831 44 L CB 0.528 42.681 42.059 0.157 0.000 1.232 44 L HN 0.232 nan 8.230 nan 0.000 0.413 45 L N 1.607 122.961 121.223 0.219 0.000 2.440 45 L HA 0.696 5.023 4.340 -0.022 0.000 0.262 45 L C 1.436 178.354 176.870 0.079 0.000 1.072 45 L CA -0.192 54.702 54.840 0.089 0.000 0.798 45 L CB 0.945 42.968 42.059 -0.061 0.000 1.307 45 L HN 0.768 nan 8.230 nan 0.000 0.475 46 G N 0.229 109.057 108.800 0.046 0.000 2.629 46 G HA2 -0.326 3.621 3.960 -0.022 0.000 0.335 46 G HA3 -0.326 3.621 3.960 -0.022 0.000 0.335 46 G C 0.807 175.737 174.900 0.050 0.000 1.347 46 G CA 0.580 45.708 45.100 0.046 0.000 0.979 46 G HN 0.725 nan 8.290 nan 0.000 0.534 47 E N 0.428 120.655 120.200 0.044 0.000 2.219 47 E HA -0.127 4.210 4.350 -0.022 0.000 0.198 47 E C 2.539 179.165 176.600 0.044 0.000 0.998 47 E CA 1.360 57.783 56.400 0.039 0.000 0.818 47 E CB -0.244 29.475 29.700 0.032 0.000 0.741 47 E HN 0.461 nan 8.360 nan 0.000 0.477 48 K N 0.781 121.216 120.400 0.059 0.000 2.001 48 K HA -0.110 4.197 4.320 -0.022 0.000 0.214 48 K C 2.151 178.786 176.600 0.058 0.000 1.050 48 K CA 1.339 57.665 56.287 0.064 0.000 0.934 48 K CB -0.718 31.838 32.500 0.094 0.000 0.718 48 K HN 0.144 nan 8.250 nan 0.000 0.443 49 A N 1.562 124.421 122.820 0.064 0.000 1.892 49 A HA -0.181 4.126 4.320 -0.022 0.000 0.218 49 A C 2.442 180.043 177.584 0.029 0.000 1.188 49 A CA 1.631 53.696 52.037 0.047 0.000 0.631 49 A CB -0.763 18.264 19.000 0.046 0.000 0.822 49 A HN 0.232 nan 8.150 nan 0.000 0.447 50 L N -0.340 120.901 121.223 0.029 0.000 1.994 50 L HA -0.192 4.135 4.340 -0.022 0.000 0.208 50 L C 3.037 179.919 176.870 0.020 0.000 1.071 50 L CA 1.998 56.851 54.840 0.021 0.000 0.745 50 L CB -1.247 40.826 42.059 0.023 0.000 0.892 50 L HN 0.633 nan 8.230 nan 0.000 0.431 51 T N -2.032 112.537 114.554 0.025 0.000 2.833 51 T HA -0.142 4.195 4.350 -0.022 0.000 0.269 51 T C 1.892 176.607 174.700 0.026 0.000 1.054 51 T CA 1.009 63.123 62.100 0.024 0.000 1.135 51 T CB -0.432 68.451 68.868 0.026 0.000 0.869 51 T HN 0.351 nan 8.240 nan 0.000 0.466 52 A N 1.296 124.135 122.820 0.030 0.000 1.968 52 A HA 0.230 4.537 4.320 -0.022 0.000 0.217 52 A C 2.249 179.848 177.584 0.025 0.000 1.169 52 A CA 1.125 53.183 52.037 0.035 0.000 0.638 52 A CB -0.718 18.309 19.000 0.046 0.000 0.812 52 A HN 0.442 nan 8.150 nan 0.000 0.446 53 L N 0.322 121.552 121.223 0.012 0.000 1.994 53 L HA -0.138 4.189 4.340 -0.022 0.000 0.208 53 L C 2.156 179.028 176.870 0.003 0.000 1.071 53 L CA 2.760 57.598 54.840 -0.003 0.000 0.745 53 L CB -0.754 41.301 42.059 -0.008 0.000 0.892 53 L HN 0.566 nan 8.230 nan 0.000 0.431 54 E N -0.718 119.488 120.200 0.010 0.000 2.268 54 E HA -0.167 4.170 4.350 -0.022 0.000 0.195 54 E C 1.982 178.592 176.600 0.017 0.000 0.995 54 E CA 0.738 57.146 56.400 0.013 0.000 0.836 54 E CB -0.090 29.618 29.700 0.014 0.000 0.763 54 E HN 0.639 nan 8.360 nan 0.000 0.491 55 A N 1.075 123.908 122.820 0.022 0.000 2.076 55 A HA -0.166 4.141 4.320 -0.022 0.000 0.220 55 A C 1.174 178.777 177.584 0.031 0.000 1.160 55 A CA 1.578 53.631 52.037 0.027 0.000 0.653 55 A CB -0.208 18.812 19.000 0.033 0.000 0.801 55 A HN 0.358 nan 8.150 nan 0.000 0.455 56 K N -3.710 116.706 120.400 0.027 0.000 3.470 56 K HA -0.124 4.183 4.320 -0.022 0.000 0.305 56 K C -0.140 176.493 176.600 0.055 0.000 1.363 56 K CA 0.449 56.753 56.287 0.028 0.000 0.927 56 K CB -2.129 30.389 32.500 0.029 0.000 1.355 56 K HN 1.624 nan 8.250 nan 0.000 0.466 57 A N -0.813 122.057 122.820 0.083 0.000 2.574 57 A HA 0.629 4.936 4.320 -0.022 0.000 0.298 57 A C -1.632 176.069 177.584 0.196 0.000 0.987 57 A CA -0.133 52.023 52.037 0.198 0.000 0.678 57 A CB 0.964 20.065 19.000 0.169 0.000 1.296 57 A HN 0.525 nan 8.150 nan 0.000 0.420 58 A N 2.339 125.364 122.820 0.342 0.000 3.204 58 A HA 0.709 5.016 4.320 -0.022 0.000 0.327 58 A C -1.926 175.669 177.584 0.018 0.000 0.998 58 A CA -1.245 50.891 52.037 0.164 0.000 0.891 58 A CB -0.008 19.107 19.000 0.190 0.000 1.061 58 A HN 0.380 nan 8.150 nan 0.000 0.478 59 P HA -0.173 nan 4.420 nan 0.000 0.216 59 P C 0.486 177.754 177.300 -0.054 0.000 1.157 59 P CA 1.503 64.563 63.100 -0.066 0.000 0.880 59 P CB 0.360 32.042 31.700 -0.030 0.000 0.791 60 E N -1.456 118.733 120.200 -0.018 0.000 2.207 60 E HA 0.585 4.922 4.350 -0.022 0.000 0.270 60 E C 0.157 176.764 176.600 0.011 0.000 0.927 60 E CA -0.667 55.727 56.400 -0.009 0.000 0.799 60 E CB 1.171 30.868 29.700 -0.005 0.000 1.172 60 E HN -0.042 nan 8.360 nan 0.000 0.404 61 G N 1.082 109.894 108.800 0.019 0.000 2.887 61 G HA2 0.510 4.457 3.960 -0.022 0.000 0.277 61 G HA3 0.510 4.457 3.960 -0.022 0.000 0.277 61 G C -0.520 174.402 174.900 0.036 0.000 1.346 61 G CA -0.497 44.635 45.100 0.053 0.000 1.058 61 G HN 0.552 nan 8.290 nan 0.000 0.535 62 E N -0.585 119.646 120.200 0.052 0.000 3.313 62 E HA 0.148 4.485 4.350 -0.022 0.000 0.164 62 E C -1.243 175.166 176.600 -0.317 0.000 0.947 62 E CA -0.237 56.102 56.400 -0.101 0.000 1.390 62 E CB 0.609 30.224 29.700 -0.142 0.000 1.058 62 E HN 0.395 nan 8.360 nan 0.000 0.436 63 H N -0.260 118.882 119.070 0.120 0.000 3.137 63 H HA 0.228 4.771 4.556 -0.022 0.000 0.336 63 H C -2.900 172.497 175.328 0.114 0.000 1.055 63 H CA -1.736 54.370 56.048 0.096 0.000 1.349 63 H CB 2.035 31.858 29.762 0.100 0.000 1.939 63 H HN -0.055 nan 8.280 nan 0.000 0.487 64 P HA 0.062 nan 4.420 nan 0.000 0.276 64 P C -0.240 177.097 177.300 0.062 0.000 1.230 64 P CA -0.255 62.918 63.100 0.120 0.000 0.776 64 P CB 0.418 32.155 31.700 0.061 0.000 0.888 65 F N 5.844 125.790 119.950 -0.008 0.000 2.484 65 F HA 0.332 4.847 4.527 -0.019 0.000 0.360 65 F C -1.592 174.119 175.800 -0.147 0.000 1.101 65 F CA -1.962 55.962 58.000 -0.127 0.000 1.251 65 F CB 0.077 39.060 39.000 -0.028 0.000 1.132 65 F HN 0.267 nan 8.300 nan 0.000 0.570 66 P HA 0.226 nan 4.420 nan 0.000 0.281 66 P C -2.824 174.025 177.300 -0.752 0.000 1.252 66 P CA -1.246 60.898 63.100 -1.593 0.000 0.778 66 P CB 0.620 31.607 31.700 -1.189 0.000 0.895 67 P HA 0.055 nan 4.420 nan 0.000 0.268 67 P C -2.239 174.780 177.300 -0.468 0.000 1.208 67 P CA -1.095 61.612 63.100 -0.655 0.000 0.777 67 P CB -0.640 30.448 31.700 -1.020 0.000 0.875 68 P HA 0.291 nan 4.420 nan 0.000 0.247 68 P C -0.651 176.408 177.300 -0.401 0.000 1.756 68 P CA 0.176 63.085 63.100 -0.319 0.000 1.117 68 P CB 0.095 31.654 31.700 -0.234 0.000 1.869 69 L N 1.770 122.697 121.223 -0.493 0.000 2.354 69 L HA 0.431 4.758 4.340 -0.022 0.000 0.264 69 L C 0.062 176.559 176.870 -0.623 0.000 1.008 69 L CA -0.631 53.819 54.840 -0.651 0.000 0.819 69 L CB 2.203 43.624 42.059 -1.063 0.000 1.339 69 L HN -0.051 nan 8.230 nan 0.000 0.420 70 S N 2.599 118.070 115.700 -0.381 0.000 3.869 70 S HA 0.064 4.521 4.470 -0.022 0.000 0.241 70 S C 0.415 174.987 174.600 -0.045 0.000 1.363 70 S CA -0.431 57.670 58.200 -0.166 0.000 0.894 70 S CB -0.290 62.867 63.200 -0.071 0.000 1.519 70 S HN 0.657 nan 8.310 nan 0.000 0.470 71 W N 2.148 123.489 121.300 0.067 0.000 2.364 71 W HA -0.176 4.473 4.660 -0.017 0.000 0.281 71 W C 2.368 178.963 176.519 0.127 0.000 1.219 71 W CA 0.777 58.171 57.345 0.083 0.000 1.220 71 W CB -0.072 29.362 29.460 -0.044 0.000 1.127 71 W HN 0.595 nan 8.180 nan 0.000 0.556 72 E N 1.255 121.606 120.200 0.252 0.000 2.338 72 E HA -0.184 4.153 4.350 -0.022 0.000 0.197 72 E C 1.599 178.245 176.600 0.077 0.000 1.007 72 E CA 1.014 57.499 56.400 0.142 0.000 0.849 72 E CB -0.734 29.012 29.700 0.076 0.000 0.774 72 E HN 0.363 nan 8.360 nan 0.000 0.506 73 R N -0.262 120.264 120.500 0.042 0.000 2.363 73 R HA 0.102 4.429 4.340 -0.022 0.000 0.236 73 R C -0.731 175.273 176.300 -0.494 0.000 0.966 73 R CA 0.050 56.017 56.100 -0.223 0.000 1.100 73 R CB -0.066 30.029 30.300 -0.342 0.000 1.125 73 R HN 0.028 nan 8.270 nan 0.000 0.514 74 Y N -1.758 118.568 120.300 0.043 0.000 2.479 74 Y HA 0.211 4.748 4.550 -0.020 0.000 0.338 74 Y C 0.098 176.025 175.900 0.046 0.000 1.055 74 Y CA -1.221 56.911 58.100 0.053 0.000 1.023 74 Y CB 2.074 40.593 38.460 0.099 0.000 1.287 74 Y HN -0.060 nan 8.280 nan 0.000 0.447 75 D N 1.105 121.595 120.400 0.149 0.000 2.301 75 D HA 0.111 4.738 4.640 -0.022 0.000 0.206 75 D C -0.255 176.078 176.300 0.055 0.000 0.979 75 D CA 1.076 55.112 54.000 0.060 0.000 0.874 75 D CB 1.087 41.875 40.800 -0.019 0.000 0.968 75 D HN 0.144 nan 8.370 nan 0.000 0.510 76 V N 1.153 121.117 119.914 0.085 0.000 2.888 76 V HA 0.250 4.357 4.120 -0.022 0.000 0.309 76 V C -0.467 175.705 176.094 0.129 0.000 1.114 76 V CA -0.870 61.466 62.300 0.060 0.000 0.940 76 V CB 3.108 34.904 31.823 -0.045 0.000 1.021 76 V HN -0.260 nan 8.190 nan 0.000 0.426 77 V N 4.440 124.445 119.914 0.151 0.000 2.459 77 V HA 0.477 4.584 4.120 -0.022 0.000 0.295 77 V C -0.818 175.426 176.094 0.249 0.000 1.029 77 V CA -0.489 61.926 62.300 0.190 0.000 0.874 77 V CB 1.683 33.616 31.823 0.183 0.000 0.985 77 V HN 0.695 nan 8.190 nan 0.000 0.438 78 F N 8.530 128.510 119.950 0.049 0.000 2.307 78 F HA 0.555 5.069 4.527 -0.023 0.000 0.369 78 F C -2.362 173.436 175.800 -0.003 0.000 1.076 78 F CA -3.537 54.469 58.000 0.010 0.000 1.149 78 F CB 1.264 40.236 39.000 -0.048 0.000 1.410 78 F HN 0.315 nan 8.300 nan 0.000 0.481 79 P HA 0.170 nan 4.420 nan 0.000 0.282 79 P C -0.063 177.326 177.300 0.148 0.000 1.274 79 P CA 0.021 63.237 63.100 0.194 0.000 0.770 79 P CB 1.615 33.396 31.700 0.135 0.000 0.867 80 L N 3.457 124.655 121.223 -0.043 0.000 3.062 80 L HA 0.201 4.528 4.340 -0.022 0.000 0.255 80 L C 0.144 176.915 176.870 -0.165 0.000 1.274 80 L CA -0.511 54.252 54.840 -0.128 0.000 1.047 80 L CB 0.214 42.124 42.059 -0.247 0.000 1.402 80 L HN 0.220 nan 8.230 nan 0.000 0.550 81 L N 0.094 121.245 121.223 -0.121 0.000 2.371 81 L HA 0.296 4.623 4.340 -0.022 0.000 0.272 81 L C 0.469 177.242 176.870 -0.162 0.000 1.124 81 L CA 0.165 54.949 54.840 -0.094 0.000 0.816 81 L CB 0.318 42.360 42.059 -0.029 0.000 1.129 81 L HN 0.078 nan 8.230 nan 0.000 0.448 82 H N 0.727 119.815 119.070 0.030 0.000 2.567 82 H HA 0.500 5.043 4.556 -0.023 0.000 0.345 82 H C 0.724 176.065 175.328 0.022 0.000 1.169 82 H CA 0.346 56.409 56.048 0.026 0.000 1.227 82 H CB 1.765 31.539 29.762 0.019 0.000 1.607 82 H HN 0.744 nan 8.280 nan 0.000 0.534 83 G N 1.568 110.461 108.800 0.156 0.000 2.582 83 G HA2 -0.337 3.610 3.960 -0.022 0.000 0.300 83 G HA3 -0.337 3.610 3.960 -0.022 0.000 0.300 83 G C -0.280 174.624 174.900 0.007 0.000 1.300 83 G CA 0.379 45.514 45.100 0.059 0.000 0.959 83 G HN 0.898 nan 8.290 nan 0.000 0.548 84 R N -1.095 119.389 120.500 -0.027 0.000 2.486 84 R HA 0.215 4.542 4.340 -0.022 0.000 0.304 84 R C -0.115 176.162 176.300 -0.037 0.000 0.913 84 R CA 0.613 56.616 56.100 -0.161 0.000 1.124 84 R CB -0.718 29.552 30.300 -0.049 0.000 0.891 84 R HN 1.212 nan 8.270 nan 0.000 0.410 85 F N 1.549 121.488 119.950 -0.019 0.000 2.905 85 F HA -0.248 4.274 4.527 -0.009 0.000 0.311 85 F C 1.064 176.846 175.800 -0.030 0.000 1.005 85 F CA 0.835 58.812 58.000 -0.039 0.000 1.029 85 F CB -1.552 37.414 39.000 -0.057 0.000 1.151 85 F HN 0.996 nan 8.300 nan 0.000 0.805 86 G N 0.641 109.475 108.800 0.056 0.000 4.314 86 G HA2 0.088 4.035 3.960 -0.022 0.000 0.166 86 G HA3 0.088 4.035 3.960 -0.022 0.000 0.166 86 G C 0.552 175.451 174.900 -0.001 0.000 1.213 86 G CA 0.056 45.176 45.100 0.034 0.000 1.027 86 G HN 0.448 nan 8.290 nan 0.000 0.352 87 E N 1.229 121.421 120.200 -0.012 0.000 2.496 87 E HA 0.200 4.537 4.350 -0.022 0.000 0.200 87 E C 0.025 176.606 176.600 -0.032 0.000 1.016 87 E CA 0.387 56.778 56.400 -0.016 0.000 0.962 87 E CB 0.462 30.158 29.700 -0.007 0.000 1.071 87 E HN 0.450 nan 8.360 nan 0.000 0.457 88 D N -0.081 120.286 120.400 -0.055 0.000 2.395 88 D HA 0.136 4.763 4.640 -0.022 0.000 0.213 88 D C 1.344 177.606 176.300 -0.064 0.000 1.110 88 D CA 0.287 54.238 54.000 -0.081 0.000 0.835 88 D CB 0.513 41.222 40.800 -0.152 0.000 0.965 88 D HN 0.276 nan 8.370 nan 0.000 0.505 89 G N -0.337 108.442 108.800 -0.036 0.000 2.195 89 G HA2 -0.371 3.576 3.960 -0.022 0.000 0.246 89 G HA3 -0.371 3.576 3.960 -0.022 0.000 0.246 89 G C 1.218 176.109 174.900 -0.016 0.000 0.984 89 G CA 0.620 45.709 45.100 -0.019 0.000 0.633 89 G HN 0.356 nan 8.290 nan 0.000 0.525 90 T N 0.335 114.876 114.554 -0.021 0.000 2.588 90 T HA -0.084 4.253 4.350 -0.022 0.000 0.261 90 T C 2.395 177.129 174.700 0.056 0.000 1.069 90 T CA 2.461 64.570 62.100 0.014 0.000 1.172 90 T CB -0.576 68.308 68.868 0.027 0.000 0.863 90 T HN 0.874 nan 8.240 nan 0.000 0.408 91 V N 1.212 121.169 119.914 0.071 0.000 2.469 91 V HA -0.225 3.882 4.120 -0.022 0.000 0.251 91 V C 2.318 178.410 176.094 -0.004 0.000 1.064 91 V CA 1.927 64.305 62.300 0.130 0.000 1.066 91 V CB -0.622 31.281 31.823 0.134 0.000 0.667 91 V HN 0.409 nan 8.190 nan 0.000 0.461 92 Q N 0.825 120.551 119.800 -0.124 0.000 2.084 92 Q HA -0.020 4.307 4.340 -0.022 0.000 0.202 92 Q C 2.293 178.155 176.000 -0.229 0.000 0.978 92 Q CA 2.031 57.616 55.803 -0.364 0.000 0.844 92 Q CB -1.160 27.484 28.738 -0.157 0.000 0.898 92 Q HN 0.693 nan 8.270 nan 0.000 0.426 93 G N -0.374 108.400 108.800 -0.044 0.000 2.422 93 G HA2 -0.274 3.673 3.960 -0.022 0.000 0.218 93 G HA3 -0.274 3.673 3.960 -0.022 0.000 0.218 93 G C 1.292 176.227 174.900 0.059 0.000 1.146 93 G CA 0.550 45.659 45.100 0.016 0.000 0.769 93 G HN 0.407 nan 8.290 nan 0.000 0.547 94 F N 0.977 120.881 119.950 -0.076 0.000 2.051 94 F HA -0.076 4.435 4.527 -0.026 0.000 0.296 94 F C 2.532 178.219 175.800 -0.189 0.000 1.122 94 F CA 1.047 59.014 58.000 -0.054 0.000 1.201 94 F CB -0.053 38.992 39.000 0.073 0.000 0.978 94 F HN 0.039 nan 8.300 nan 0.000 0.472 95 L N 0.288 121.233 121.223 -0.463 0.000 2.079 95 L HA -0.235 4.092 4.340 -0.022 0.000 0.210 95 L C 2.451 179.110 176.870 -0.351 0.000 1.081 95 L CA 1.190 55.660 54.840 -0.616 0.000 0.752 95 L CB -0.819 40.838 42.059 -0.670 0.000 0.896 95 L HN 0.226 nan 8.230 nan 0.000 0.433 96 E N 0.259 120.344 120.200 -0.192 0.000 2.110 96 E HA -0.173 4.164 4.350 -0.022 0.000 0.193 96 E C 2.350 178.901 176.600 -0.083 0.000 0.988 96 E CA 1.109 57.485 56.400 -0.041 0.000 0.804 96 E CB -0.159 29.553 29.700 0.021 0.000 0.745 96 E HN 0.532 nan 8.360 nan 0.000 0.458 97 L N 0.322 121.476 121.223 -0.114 0.000 2.044 97 L HA -0.108 4.219 4.340 -0.022 0.000 0.205 97 L C 2.514 179.276 176.870 -0.179 0.000 1.075 97 L CA 0.648 55.434 54.840 -0.090 0.000 0.747 97 L CB -0.360 41.700 42.059 0.001 0.000 0.903 97 L HN 0.073 nan 8.230 nan 0.000 0.435 98 L N -0.011 120.986 121.223 -0.376 0.000 2.450 98 L HA -0.079 4.248 4.340 -0.022 0.000 0.224 98 L C 1.481 178.179 176.870 -0.286 0.000 1.149 98 L CA 0.786 55.338 54.840 -0.479 0.000 0.816 98 L CB -0.844 40.627 42.059 -0.981 0.000 0.932 98 L HN 0.584 nan 8.230 nan 0.000 0.449 99 G N 0.175 108.857 108.800 -0.197 0.000 2.160 99 G HA2 -0.261 3.686 3.960 -0.022 0.000 0.251 99 G HA3 -0.261 3.686 3.960 -0.022 0.000 0.251 99 G C 0.178 175.031 174.900 -0.079 0.000 1.008 99 G CA -0.013 45.026 45.100 -0.102 0.000 0.724 99 G HN 0.307 nan 8.290 nan 0.000 0.514 100 K N 0.411 120.746 120.400 -0.109 0.000 2.159 100 K HA 0.456 4.763 4.320 -0.022 0.000 0.266 100 K C -2.580 174.065 176.600 0.076 0.000 0.975 100 K CA -1.834 54.432 56.287 -0.035 0.000 0.865 100 K CB 2.010 34.462 32.500 -0.079 0.000 1.087 100 K HN 0.004 nan 8.250 nan 0.000 0.446 101 P HA 0.101 nan 4.420 nan 0.000 0.275 101 P C -1.306 176.055 177.300 0.102 0.000 1.228 101 P CA 0.012 63.120 63.100 0.014 0.000 0.786 101 P CB 0.276 31.949 31.700 -0.046 0.000 0.927 102 Y N -1.399 118.860 120.300 -0.068 0.000 2.638 102 Y HA 0.623 5.154 4.550 -0.030 0.000 0.335 102 Y C -1.176 174.659 175.900 -0.108 0.000 1.155 102 Y CA -1.701 56.360 58.100 -0.065 0.000 1.046 102 Y CB 0.244 38.681 38.460 -0.038 0.000 1.303 102 Y HN 0.001 nan 8.280 nan 0.000 0.460 103 V N 2.669 122.545 119.914 -0.063 0.000 2.649 103 V HA 0.668 4.775 4.120 -0.022 0.000 0.292 103 V C 0.743 176.775 176.094 -0.104 0.000 1.055 103 V CA 0.878 63.013 62.300 -0.275 0.000 1.023 103 V CB 0.309 31.665 31.823 -0.778 0.000 0.992 103 V HN 1.505 nan 8.190 nan 0.000 0.480 104 G N 3.401 112.120 108.800 -0.136 0.000 2.655 104 G HA2 0.286 4.233 3.960 -0.022 0.000 0.680 104 G HA3 0.286 4.233 3.960 -0.022 0.000 0.680 104 G C -0.098 174.792 174.900 -0.017 0.000 1.302 104 G CA -0.359 44.730 45.100 -0.017 0.000 0.872 104 G HN 1.575 nan 8.290 nan 0.000 0.540 105 A N -0.044 122.782 122.820 0.010 0.000 2.520 105 A HA 0.644 4.951 4.320 -0.022 0.000 0.235 105 A C 1.541 179.171 177.584 0.078 0.000 1.065 105 A CA 1.648 53.673 52.037 -0.019 0.000 0.764 105 A CB -0.025 18.948 19.000 -0.045 0.000 1.002 105 A HN 2.468 nan 8.150 nan 0.000 0.502 106 G N -0.261 108.556 108.800 0.029 0.000 2.516 106 G HA2 0.355 4.302 3.960 -0.022 0.000 0.276 106 G HA3 0.355 4.302 3.960 -0.022 0.000 0.276 106 G C 1.091 176.051 174.900 0.100 0.000 1.390 106 G CA 0.168 45.341 45.100 0.122 0.000 1.050 106 G HN 0.733 nan 8.290 nan 0.000 0.519 107 V N 0.929 120.896 119.914 0.089 0.000 2.237 107 V HA -0.172 3.935 4.120 -0.022 0.000 0.245 107 V C 3.347 179.444 176.094 0.005 0.000 1.046 107 V CA 2.634 64.957 62.300 0.039 0.000 1.007 107 V CB -1.347 30.495 31.823 0.033 0.000 0.638 107 V HN 0.797 nan 8.190 nan 0.000 0.445 108 A N 0.212 123.030 122.820 -0.003 0.000 1.851 108 A HA -0.189 4.118 4.320 -0.022 0.000 0.216 108 A C 2.445 180.006 177.584 -0.039 0.000 1.195 108 A CA 2.645 54.669 52.037 -0.021 0.000 0.622 108 A CB -1.144 17.842 19.000 -0.024 0.000 0.831 108 A HN 0.633 nan 8.150 nan 0.000 0.444 109 A N -0.741 122.047 122.820 -0.053 0.000 1.940 109 A HA -0.098 4.209 4.320 -0.022 0.000 0.219 109 A C 2.448 179.992 177.584 -0.067 0.000 1.176 109 A CA 2.258 54.246 52.037 -0.081 0.000 0.631 109 A CB -0.878 18.048 19.000 -0.124 0.000 0.814 109 A HN 0.485 nan 8.150 nan 0.000 0.446 110 S N -0.235 115.441 115.700 -0.041 0.000 2.355 110 S HA 0.001 4.458 4.470 -0.022 0.000 0.222 110 S C 2.330 176.904 174.600 -0.044 0.000 1.031 110 S CA 1.140 59.321 58.200 -0.033 0.000 0.993 110 S CB -0.476 62.720 63.200 -0.007 0.000 0.859 110 S HN 0.808 nan 8.310 nan 0.000 0.453 111 A N 1.262 124.057 122.820 -0.042 0.000 1.930 111 A HA 0.040 4.347 4.320 -0.022 0.000 0.217 111 A C 2.134 179.688 177.584 -0.051 0.000 1.175 111 A CA 0.997 53.005 52.037 -0.049 0.000 0.627 111 A CB -0.679 18.297 19.000 -0.040 0.000 0.815 111 A HN 0.427 nan 8.150 nan 0.000 0.443 112 L N -0.342 120.850 121.223 -0.052 0.000 2.017 112 L HA -0.165 4.162 4.340 -0.022 0.000 0.208 112 L C 1.492 178.318 176.870 -0.073 0.000 1.073 112 L CA 0.526 55.331 54.840 -0.058 0.000 0.745 112 L CB -0.480 41.544 42.059 -0.060 0.000 0.894 112 L HN 0.430 nan 8.230 nan 0.000 0.432 116 K N 1.200 121.545 120.400 -0.092 0.000 2.286 116 K HA -0.189 4.118 4.320 -0.022 0.000 0.203 116 K C 1.065 177.527 176.600 -0.231 0.000 1.045 116 K CA 1.614 57.809 56.287 -0.153 0.000 0.935 116 K CB 0.298 32.733 32.500 -0.108 0.000 0.737 116 K HN 0.348 nan 8.250 nan 0.000 0.460 117 D N 0.357 120.698 120.400 -0.100 0.000 2.320 117 D HA -0.012 4.615 4.640 -0.022 0.000 0.228 117 D C 1.767 178.065 176.300 -0.002 0.000 0.978 117 D CA 0.456 54.456 54.000 -0.000 0.000 0.905 117 D CB 0.094 41.005 40.800 0.184 0.000 1.051 117 D HN -0.035 nan 8.370 nan 0.000 0.471 118 L N 0.741 121.971 121.223 0.011 0.000 2.083 118 L HA -0.127 4.200 4.340 -0.022 0.000 0.209 118 L C 2.612 179.456 176.870 -0.043 0.000 1.083 118 L CA 1.409 56.257 54.840 0.015 0.000 0.752 118 L CB -0.776 41.288 42.059 0.008 0.000 0.899 118 L HN 0.202 nan 8.230 nan 0.000 0.433 119 S N -0.285 115.352 115.700 -0.106 0.000 2.368 119 S HA -0.189 4.268 4.470 -0.022 0.000 0.224 119 S C 1.947 176.434 174.600 -0.188 0.000 1.029 119 S CA 0.822 58.942 58.200 -0.134 0.000 0.988 119 S CB -0.257 62.850 63.200 -0.154 0.000 0.838 119 S HN 0.365 nan 8.310 nan 0.000 0.462 120 K N 1.031 121.225 120.400 -0.344 0.000 2.097 120 K HA 0.040 4.346 4.320 -0.022 0.000 0.206 120 K C 2.637 179.110 176.600 -0.211 0.000 1.049 120 K CA 1.165 57.113 56.287 -0.564 0.000 0.933 120 K CB -0.176 31.396 32.500 -1.548 0.000 0.717 120 K HN 0.377 nan 8.250 nan 0.000 0.442 121 R N 0.372 120.888 120.500 0.027 0.000 2.081 121 R HA -0.097 4.230 4.340 -0.022 0.000 0.235 121 R C 2.308 178.679 176.300 0.118 0.000 1.131 121 R CA 1.130 57.371 56.100 0.235 0.000 0.960 121 R CB -0.383 30.057 30.300 0.233 0.000 0.856 121 R HN 0.007 nan 8.270 nan 0.000 0.436 122 V N 1.488 121.425 119.914 0.040 0.000 2.307 122 V HA -0.203 3.904 4.120 -0.022 0.000 0.245 122 V C 2.328 178.434 176.094 0.021 0.000 1.045 122 V CA 1.561 63.875 62.300 0.023 0.000 1.024 122 V CB -0.361 31.456 31.823 -0.010 0.000 0.651 122 V HN 0.272 nan 8.190 nan 0.000 0.449 123 L N -0.003 121.215 121.223 -0.008 0.000 2.017 123 L HA -0.173 4.154 4.340 -0.022 0.000 0.208 123 L C 2.773 179.673 176.870 0.050 0.000 1.073 123 L CA 1.702 56.542 54.840 -0.001 0.000 0.745 123 L CB -0.905 41.124 42.059 -0.050 0.000 0.894 123 L HN 0.374 nan 8.230 nan 0.000 0.432 124 A N 0.645 123.521 122.820 0.093 0.000 1.883 124 A HA -0.290 4.017 4.320 -0.022 0.000 0.217 124 A C 2.179 179.837 177.584 0.124 0.000 1.186 124 A CA 2.042 54.174 52.037 0.159 0.000 0.624 124 A CB -0.637 18.546 19.000 0.304 0.000 0.822 124 A HN 0.578 nan 8.150 nan 0.000 0.444 125 Q N -0.046 119.821 119.800 0.111 0.000 2.291 125 Q HA 0.182 4.509 4.340 -0.022 0.000 0.205 125 Q C 1.524 177.562 176.000 0.063 0.000 0.970 125 Q CA 1.933 57.786 55.803 0.083 0.000 0.876 125 Q CB -0.676 28.106 28.738 0.074 0.000 0.935 125 Q HN 0.472 nan 8.270 nan 0.000 0.455 126 A N -0.043 122.811 122.820 0.057 0.000 2.169 126 A HA 0.482 4.789 4.320 -0.022 0.000 0.212 126 A C 1.666 179.281 177.584 0.051 0.000 1.153 126 A CA 0.561 52.626 52.037 0.045 0.000 0.756 126 A CB -0.500 18.520 19.000 0.034 0.000 0.813 126 A HN 0.938 nan 8.150 nan 0.000 0.471 127 G N -1.812 107.025 108.800 0.062 0.000 2.144 127 G HA2 -0.161 3.786 3.960 -0.022 0.000 0.218 127 G HA3 -0.161 3.786 3.960 -0.022 0.000 0.218 127 G C 0.048 174.988 174.900 0.068 0.000 0.988 127 G CA 0.018 45.156 45.100 0.063 0.000 0.659 127 G HN 0.739 nan 8.290 nan 0.000 0.522 128 V N 3.227 123.184 119.914 0.071 0.000 2.406 128 V HA 0.459 4.566 4.120 -0.022 0.000 0.272 128 V C -1.176 174.976 176.094 0.096 0.000 1.043 128 V CA -1.375 60.973 62.300 0.080 0.000 0.915 128 V CB 1.444 33.305 31.823 0.063 0.000 0.988 128 V HN 0.269 nan 8.190 nan 0.000 0.466 129 P HA 0.234 nan 4.420 nan 0.000 0.271 129 P C -0.691 176.730 177.300 0.202 0.000 1.220 129 P CA 0.227 63.413 63.100 0.143 0.000 0.768 129 P CB 1.354 33.089 31.700 0.058 0.000 0.848 130 V N 1.437 121.509 119.914 0.262 0.000 3.141 130 V HA 0.473 4.580 4.120 -0.022 0.000 0.312 130 V C 0.026 176.307 176.094 0.313 0.000 1.157 130 V CA -1.347 61.084 62.300 0.219 0.000 1.041 130 V CB 1.695 33.525 31.823 0.012 0.000 1.071 130 V HN 0.346 nan 8.190 nan 0.000 0.441 131 V N 2.839 122.849 119.914 0.160 0.000 2.585 131 V HA 0.353 4.460 4.120 -0.022 0.000 0.296 131 V C -2.038 174.148 176.094 0.153 0.000 1.035 131 V CA -1.161 61.141 62.300 0.004 0.000 1.084 131 V CB 0.782 32.602 31.823 -0.004 0.000 0.953 131 V HN 1.025 nan 8.190 nan 0.000 0.483 132 P HA 0.129 nan 4.420 nan 0.000 0.261 132 P C -1.122 176.284 177.300 0.177 0.000 1.173 132 P CA 0.651 63.809 63.100 0.096 0.000 0.760 132 P CB 0.059 31.650 31.700 -0.180 0.000 0.783 133 W N 2.530 123.891 121.300 0.101 0.000 2.959 133 W HA 0.709 5.356 4.660 -0.021 0.000 0.358 133 W C -2.527 174.144 176.519 0.254 0.000 1.228 133 W CA -0.982 56.495 57.345 0.220 0.000 1.183 133 W CB 0.813 30.337 29.460 0.107 0.000 1.467 133 W HN 0.313 nan 8.180 nan 0.000 0.578 134 V N 1.757 121.626 119.914 -0.074 0.000 3.087 134 V HA 0.847 4.954 4.120 -0.022 0.000 0.306 134 V C -0.918 175.209 176.094 0.055 0.000 1.187 134 V CA -0.463 61.671 62.300 -0.278 0.000 0.999 134 V CB 1.717 33.428 31.823 -0.187 0.000 1.049 134 V HN 1.343 nan 8.190 nan 0.000 0.431 135 A N 4.464 127.318 122.820 0.057 0.000 2.312 135 A HA 0.916 5.223 4.320 -0.022 0.000 0.328 135 A C -1.078 176.569 177.584 0.104 0.000 1.158 135 A CA -0.494 51.645 52.037 0.170 0.000 0.821 135 A CB 1.602 20.724 19.000 0.204 0.000 1.170 135 A HN 1.210 nan 8.150 nan 0.000 0.490 136 V N 2.063 122.071 119.914 0.156 0.000 2.733 136 V HA 0.503 4.610 4.120 -0.022 0.000 0.306 136 V C -0.265 176.006 176.094 0.295 0.000 1.084 136 V CA -0.660 61.752 62.300 0.188 0.000 0.905 136 V CB 1.858 33.804 31.823 0.205 0.000 1.010 136 V HN 0.992 nan 8.190 nan 0.000 0.424 137 R N 1.843 122.431 120.500 0.146 0.000 2.589 137 R HA 0.495 4.822 4.340 -0.022 0.000 0.293 137 R C -0.329 175.747 176.300 -0.373 0.000 0.963 137 R CA -0.988 55.096 56.100 -0.027 0.000 0.905 137 R CB 2.163 32.438 30.300 -0.041 0.000 1.144 137 R HN 0.666 nan 8.270 nan 0.000 0.459 138 K N 0.788 120.565 120.400 -1.037 0.000 2.511 138 K HA -0.060 4.247 4.320 -0.022 0.000 0.280 138 K C 0.572 176.905 176.600 -0.446 0.000 1.008 138 K CA 1.551 57.127 56.287 -1.185 0.000 1.050 138 K CB 0.161 32.017 32.500 -1.074 0.000 0.889 138 K HN 0.846 nan 8.250 nan 0.000 0.484 139 G N 2.916 111.553 108.800 -0.272 0.000 2.141 139 G HA2 -0.227 3.720 3.960 -0.022 0.000 0.231 139 G HA3 -0.227 3.720 3.960 -0.022 0.000 0.231 139 G C -0.448 174.401 174.900 -0.085 0.000 0.984 139 G CA 0.050 45.070 45.100 -0.134 0.000 0.660 139 G HN 0.656 nan 8.290 nan 0.000 0.525 140 E N 1.416 121.574 120.200 -0.071 0.000 2.176 140 E HA 0.379 4.716 4.350 -0.022 0.000 0.267 140 E C -2.405 174.202 176.600 0.012 0.000 0.893 140 E CA -1.903 54.482 56.400 -0.024 0.000 0.761 140 E CB 2.198 31.891 29.700 -0.012 0.000 1.133 140 E HN 0.189 nan 8.360 nan 0.000 0.409 141 P HA 0.156 nan 4.420 nan 0.000 0.271 141 P C -2.539 174.757 177.300 -0.006 0.000 1.233 141 P CA -1.218 61.881 63.100 -0.001 0.000 0.764 141 P CB -0.074 31.614 31.700 -0.020 0.000 0.825 142 P HA 0.002 nan 4.420 nan 0.000 0.263 142 P C -0.462 176.796 177.300 -0.069 0.000 1.175 142 P CA 0.399 63.489 63.100 -0.017 0.000 0.761 142 P CB 0.305 32.007 31.700 0.003 0.000 0.794 143 V N 4.279 124.135 119.914 -0.095 0.000 2.467 143 V HA 0.099 4.206 4.120 -0.022 0.000 0.260 143 V C -0.186 175.795 176.094 -0.188 0.000 0.963 143 V CA -0.505 61.720 62.300 -0.125 0.000 0.856 143 V CB 1.467 33.230 31.823 -0.100 0.000 1.087 143 V HN 0.207 nan 8.190 nan 0.000 0.467 144 V N 6.338 126.119 119.914 -0.221 0.000 2.334 144 V HA 0.272 4.379 4.120 -0.022 0.000 0.267 144 V C -0.687 175.191 176.094 -0.360 0.000 1.040 144 V CA -1.001 61.034 62.300 -0.442 0.000 0.866 144 V CB 1.592 33.151 31.823 -0.439 0.000 1.019 144 V HN 0.631 nan 8.190 nan 0.000 0.468 145 P HA 0.060 nan 4.420 nan 0.000 0.252 145 P C -0.316 177.017 177.300 0.055 0.000 1.265 145 P CA 0.425 63.464 63.100 -0.103 0.000 0.775 145 P CB -0.257 31.430 31.700 -0.022 0.000 1.128 146 F N -2.102 117.947 119.950 0.165 0.000 2.599 146 F HA 0.601 5.113 4.527 -0.025 0.000 0.311 146 F C -0.443 175.491 175.800 0.224 0.000 1.076 146 F CA -1.685 56.413 58.000 0.162 0.000 0.937 146 F CB 0.726 39.795 39.000 0.115 0.000 1.282 146 F HN -0.384 nan 8.300 nan 0.000 0.460 147 D N 1.797 122.394 120.400 0.327 0.000 2.283 147 D HA 0.354 4.981 4.640 -0.022 0.000 0.248 147 D C -2.385 173.876 176.300 -0.064 0.000 1.072 147 D CA -1.037 52.990 54.000 0.046 0.000 0.929 147 D CB 1.216 42.026 40.800 0.016 0.000 1.182 147 D HN 0.269 nan 8.370 nan 0.000 0.433 148 P HA 0.150 nan 4.420 nan 0.000 0.271 148 P C -2.453 174.618 177.300 -0.381 0.000 1.244 148 P CA -0.701 61.925 63.100 -0.791 0.000 0.793 148 P CB -0.302 30.752 31.700 -1.076 0.000 0.984 149 P HA 0.298 nan 4.420 nan 0.000 0.274 149 P C -1.044 176.048 177.300 -0.347 0.000 1.231 149 P CA 0.071 62.885 63.100 -0.476 0.000 0.790 149 P CB 0.205 31.681 31.700 -0.373 0.000 0.951 150 F N -1.505 118.283 119.950 -0.270 0.000 2.678 150 F HA 0.600 5.116 4.527 -0.018 0.000 0.308 150 F C -1.364 174.296 175.800 -0.232 0.000 1.118 150 F CA -1.465 56.429 58.000 -0.177 0.000 0.959 150 F CB 0.860 39.963 39.000 0.172 0.000 1.305 150 F HN 0.023 nan 8.300 nan 0.000 0.443 151 F N 1.786 121.929 119.950 0.321 0.000 2.375 151 F HA 0.661 5.176 4.527 -0.020 0.000 0.333 151 F C 0.010 175.902 175.800 0.152 0.000 1.104 151 F CA -0.859 57.255 58.000 0.189 0.000 1.149 151 F CB 1.773 40.830 39.000 0.095 0.000 1.190 151 F HN 0.285 nan 8.300 nan 0.000 0.533 152 V N 3.082 123.181 119.914 0.308 0.000 2.638 152 V HA 0.579 4.686 4.120 -0.022 0.000 0.306 152 V C -0.770 175.384 176.094 0.100 0.000 1.052 152 V CA -0.973 61.409 62.300 0.137 0.000 0.885 152 V CB 1.904 33.775 31.823 0.080 0.000 0.999 152 V HN 0.804 nan 8.190 nan 0.000 0.424 153 K N 4.396 124.823 120.400 0.045 0.000 2.610 153 K HA 0.556 4.863 4.320 -0.022 0.000 0.278 153 K C -3.358 173.245 176.600 0.005 0.000 0.964 153 K CA -1.751 54.547 56.287 0.018 0.000 0.859 153 K CB 2.334 34.843 32.500 0.015 0.000 1.434 153 K HN 0.324 nan 8.250 nan 0.000 0.410 154 P HA -0.089 nan 4.420 nan 0.000 0.268 154 P C 0.018 177.340 177.300 0.037 0.000 1.208 154 P CA 0.141 63.272 63.100 0.050 0.000 0.777 154 P CB 1.032 32.785 31.700 0.088 0.000 0.875 155 A N 3.285 126.142 122.820 0.062 0.000 1.903 155 A HA -0.067 4.240 4.320 -0.022 0.000 0.213 155 A C 1.462 179.049 177.584 0.006 0.000 1.185 155 A CA 1.244 53.305 52.037 0.040 0.000 0.628 155 A CB -0.952 18.091 19.000 0.072 0.000 0.830 155 A HN 0.580 nan 8.150 nan 0.000 0.446 156 N N -0.445 118.263 118.700 0.013 0.000 2.235 156 N HA 0.119 4.846 4.740 -0.022 0.000 0.209 156 N C -0.678 174.814 175.510 -0.030 0.000 1.122 156 N CA 0.173 53.212 53.050 -0.018 0.000 0.845 156 N CB 0.561 39.035 38.487 -0.021 0.000 1.004 156 N HN 0.143 nan 8.380 nan 0.000 0.499 157 T N 0.603 115.146 114.554 -0.018 0.000 2.782 157 T HA 0.218 4.554 4.350 -0.022 0.000 0.298 157 T C 0.997 175.662 174.700 -0.058 0.000 0.944 157 T CA -0.552 61.527 62.100 -0.035 0.000 1.001 157 T CB 0.505 69.349 68.868 -0.041 0.000 0.932 157 T HN 0.231 nan 8.240 nan 0.000 0.524 158 G N 3.230 111.998 108.800 -0.052 0.000 3.003 158 G HA2 0.409 4.356 3.960 -0.022 0.000 0.266 158 G HA3 0.409 4.356 3.960 -0.022 0.000 0.266 158 G C 0.380 175.250 174.900 -0.049 0.000 0.755 158 G CA -0.227 44.847 45.100 -0.043 0.000 2.061 158 G HN 0.809 nan 8.290 nan 0.000 0.599 159 S N -1.358 114.294 115.700 -0.080 0.000 2.680 159 S HA 0.387 4.844 4.470 -0.022 0.000 0.276 159 S C 0.467 174.994 174.600 -0.122 0.000 1.189 159 S CA -0.066 58.074 58.200 -0.100 0.000 0.909 159 S CB 0.740 63.874 63.200 -0.110 0.000 1.227 159 S HN 0.079 nan 8.310 nan 0.000 0.501 160 S N 0.461 116.082 115.700 -0.131 0.000 2.540 160 S HA 0.294 4.751 4.470 -0.022 0.000 0.218 160 S C 0.741 175.244 174.600 -0.162 0.000 0.977 160 S CA 0.269 58.392 58.200 -0.128 0.000 0.918 160 S CB 0.000 63.139 63.200 -0.102 0.000 0.806 160 S HN 1.228 nan 8.310 nan 0.000 0.496 161 V N 0.456 120.216 119.914 -0.257 0.000 2.655 161 V HA 0.685 4.792 4.120 -0.022 0.000 0.300 161 V C 1.181 176.991 176.094 -0.474 0.000 1.044 161 V CA 0.474 62.506 62.300 -0.447 0.000 1.095 161 V CB 0.086 31.441 31.823 -0.780 0.000 0.952 161 V HN 0.510 nan 8.190 nan 0.000 0.485 162 G N 3.691 112.327 108.800 -0.274 0.000 2.253 162 G HA2 -0.223 3.724 3.960 -0.022 0.000 0.251 162 G HA3 -0.223 3.724 3.960 -0.022 0.000 0.251 162 G C -0.123 174.799 174.900 0.038 0.000 0.998 162 G CA 0.169 45.294 45.100 0.042 0.000 0.621 162 G HN 0.967 nan 8.290 nan 0.000 0.524 163 I N 2.087 122.651 120.570 -0.011 0.000 2.754 163 I HA 0.497 4.654 4.170 -0.022 0.000 0.285 163 I C 0.668 176.836 176.117 0.085 0.000 1.166 163 I CA 0.447 61.769 61.300 0.036 0.000 1.417 163 I CB 1.479 39.480 38.000 0.001 0.000 1.382 163 I HN 0.151 nan 8.210 nan 0.000 0.588 164 S N 4.715 120.504 115.700 0.149 0.000 2.533 164 S HA 0.500 4.957 4.470 -0.022 0.000 0.271 164 S C -0.613 174.106 174.600 0.198 0.000 1.143 164 S CA -0.928 57.357 58.200 0.142 0.000 0.891 164 S CB 1.852 65.109 63.200 0.095 0.000 1.105 164 S HN 0.527 nan 8.310 nan 0.000 0.468 165 R N 2.248 122.815 120.500 0.111 0.000 2.215 165 R HA 0.583 4.910 4.340 -0.022 0.000 0.336 165 R C -1.247 174.993 176.300 -0.100 0.000 0.996 165 R CA -0.296 55.766 56.100 -0.063 0.000 0.847 165 R CB 0.431 30.660 30.300 -0.118 0.000 1.127 165 R HN 0.477 nan 8.270 nan 0.000 0.465 166 V N 4.739 124.585 119.914 -0.113 0.000 2.465 166 V HA 0.143 4.250 4.120 -0.022 0.000 0.279 166 V C 0.612 176.458 176.094 -0.414 0.000 1.045 166 V CA -0.263 61.931 62.300 -0.176 0.000 0.938 166 V CB 1.661 33.481 31.823 -0.005 0.000 0.986 166 V HN 0.862 nan 8.190 nan 0.000 0.467 167 E N 3.102 123.107 120.200 -0.326 0.000 2.372 167 E HA 0.188 4.524 4.350 -0.022 0.000 0.201 167 E C 0.223 176.609 176.600 -0.358 0.000 0.938 167 E CA 0.177 56.375 56.400 -0.336 0.000 0.944 167 E CB 0.784 30.359 29.700 -0.208 0.000 0.937 167 E HN 0.535 nan 8.360 nan 0.000 0.495 168 R N -0.900 119.422 120.500 -0.297 0.000 2.673 168 R HA 0.344 4.671 4.340 -0.022 0.000 0.281 168 R C 0.383 176.601 176.300 -0.137 0.000 0.991 168 R CA -0.415 55.556 56.100 -0.216 0.000 0.896 168 R CB 0.602 30.851 30.300 -0.085 0.000 1.201 168 R HN -0.116 nan 8.270 nan 0.000 0.457 169 F N 1.114 121.019 119.950 -0.075 0.000 2.236 169 F HA -0.293 4.220 4.527 -0.023 0.000 0.302 169 F C 1.703 177.527 175.800 0.040 0.000 1.073 169 F CA 1.209 59.230 58.000 0.034 0.000 1.336 169 F CB 0.260 39.284 39.000 0.040 0.000 1.040 169 F HN 0.581 nan 8.300 nan 0.000 0.507 170 Q N -0.008 119.903 119.800 0.185 0.000 2.096 170 Q HA -0.200 4.127 4.340 -0.022 0.000 0.204 170 Q C 1.321 177.378 176.000 0.095 0.000 0.982 170 Q CA 1.611 57.481 55.803 0.112 0.000 0.850 170 Q CB -0.374 28.401 28.738 0.061 0.000 0.901 170 Q HN 0.287 nan 8.270 nan 0.000 0.422 171 D N -0.346 120.098 120.400 0.073 0.000 2.324 171 D HA -0.019 4.608 4.640 -0.022 0.000 0.235 171 D C 1.191 177.557 176.300 0.109 0.000 1.095 171 D CA 0.051 54.090 54.000 0.064 0.000 0.871 171 D CB 0.276 41.090 40.800 0.023 0.000 0.906 171 D HN 0.126 nan 8.370 nan 0.000 0.522 172 L N 1.110 122.438 121.223 0.175 0.000 2.007 172 L HA -0.082 4.245 4.340 -0.022 0.000 0.205 172 L C 2.034 178.980 176.870 0.126 0.000 1.073 172 L CA 1.743 56.714 54.840 0.219 0.000 0.744 172 L CB -0.402 41.860 42.059 0.339 0.000 0.898 172 L HN -0.126 nan 8.230 nan 0.000 0.435 173 E N -0.433 119.835 120.200 0.112 0.000 2.114 173 E HA -0.322 4.015 4.350 -0.022 0.000 0.199 173 E C 2.085 178.726 176.600 0.068 0.000 1.008 173 E CA 1.453 57.905 56.400 0.087 0.000 0.810 173 E CB -0.322 29.424 29.700 0.077 0.000 0.739 173 E HN 0.657 nan 8.360 nan 0.000 0.456 174 A N 1.211 124.069 122.820 0.062 0.000 1.877 174 A HA -0.140 4.167 4.320 -0.022 0.000 0.216 174 A C 2.373 179.976 177.584 0.032 0.000 1.186 174 A CA 1.835 53.900 52.037 0.047 0.000 0.620 174 A CB -0.659 18.368 19.000 0.044 0.000 0.822 174 A HN 0.323 nan 8.150 nan 0.000 0.443 175 A N -0.266 122.575 122.820 0.035 0.000 1.877 175 A HA -0.034 4.273 4.320 -0.022 0.000 0.216 175 A C 2.179 179.717 177.584 -0.076 0.000 1.186 175 A CA 1.479 53.525 52.037 0.015 0.000 0.620 175 A CB -0.654 18.381 19.000 0.058 0.000 0.822 175 A HN 0.470 nan 8.150 nan 0.000 0.443 176 L N -0.711 120.440 121.223 -0.120 0.000 2.042 176 L HA -0.233 4.094 4.340 -0.022 0.000 0.210 176 L C 3.096 179.722 176.870 -0.408 0.000 1.076 176 L CA 1.108 55.715 54.840 -0.390 0.000 0.749 176 L CB -0.594 41.354 42.059 -0.185 0.000 0.893 176 L HN 0.454 nan 8.230 nan 0.000 0.432 177 A N -0.083 122.709 122.820 -0.045 0.000 1.940 177 A HA -0.229 4.078 4.320 -0.022 0.000 0.219 177 A C 2.200 179.803 177.584 0.032 0.000 1.176 177 A CA 1.808 53.897 52.037 0.087 0.000 0.631 177 A CB -0.582 18.467 19.000 0.082 0.000 0.814 177 A HN 0.353 nan 8.150 nan 0.000 0.446 178 L N -0.532 120.682 121.223 -0.016 0.000 2.072 178 L HA 0.094 4.421 4.340 -0.022 0.000 0.205 178 L C 2.621 179.513 176.870 0.036 0.000 1.079 178 L CA 2.079 56.929 54.840 0.018 0.000 0.752 178 L CB -0.864 41.228 42.059 0.056 0.000 0.906 178 L HN 0.299 nan 8.230 nan 0.000 0.436 179 A N -0.493 122.286 122.820 -0.068 0.000 1.908 179 A HA -0.217 4.090 4.320 -0.022 0.000 0.218 179 A C 2.161 179.762 177.584 0.027 0.000 1.181 179 A CA 1.922 53.930 52.037 -0.050 0.000 0.627 179 A CB -1.337 17.498 19.000 -0.274 0.000 0.818 179 A HN 0.533 nan 8.150 nan 0.000 0.445 180 F N -0.303 119.686 119.950 0.066 0.000 2.664 180 F HA -0.090 4.421 4.527 -0.026 0.000 0.297 180 F C 2.286 178.071 175.800 -0.024 0.000 1.164 180 F CA 0.329 58.347 58.000 0.029 0.000 1.472 180 F CB -0.017 38.993 39.000 0.017 0.000 1.108 180 F HN 0.191 nan 8.300 nan 0.000 0.596 181 R N -1.440 119.087 120.500 0.045 0.000 2.300 181 R HA 0.016 4.343 4.340 -0.022 0.000 0.199 181 R C 0.539 176.625 176.300 -0.357 0.000 0.920 181 R CA 0.604 56.589 56.100 -0.192 0.000 1.046 181 R CB 0.015 30.104 30.300 -0.352 0.000 0.984 181 R HN 0.352 nan 8.270 nan 0.000 0.493 182 Y N -0.771 119.577 120.300 0.081 0.000 2.526 182 Y HA 0.258 4.794 4.550 -0.023 0.000 0.265 182 Y C 0.098 176.040 175.900 0.070 0.000 1.092 182 Y CA -0.574 57.562 58.100 0.060 0.000 1.277 182 Y CB 0.898 39.381 38.460 0.037 0.000 1.228 182 Y HN -0.135 nan 8.280 nan 0.000 0.507 183 D N -0.952 119.595 120.400 0.244 0.000 2.837 183 D HA 0.158 4.785 4.640 -0.022 0.000 0.220 183 D C 0.436 176.892 176.300 0.261 0.000 1.236 183 D CA -0.147 53.972 54.000 0.199 0.000 0.838 183 D CB 1.651 42.552 40.800 0.167 0.000 1.647 183 D HN -0.130 nan 8.370 nan 0.000 0.486 184 E N 1.339 121.636 120.200 0.161 0.000 2.153 184 E HA -0.129 4.208 4.350 -0.022 0.000 0.194 184 E C 0.370 177.070 176.600 0.167 0.000 0.988 184 E CA 1.035 57.492 56.400 0.095 0.000 0.811 184 E CB 0.194 29.905 29.700 0.019 0.000 0.746 184 E HN 0.325 nan 8.360 nan 0.000 0.466 185 K N -0.122 120.412 120.400 0.224 0.000 2.207 185 K HA 0.540 4.847 4.320 -0.022 0.000 0.255 185 K C -1.241 175.532 176.600 0.288 0.000 0.941 185 K CA -0.400 56.047 56.287 0.268 0.000 0.825 185 K CB 1.854 34.443 32.500 0.149 0.000 1.119 185 K HN -0.050 nan 8.250 nan 0.000 0.430 186 A N 2.107 125.105 122.820 0.297 0.000 2.532 186 A HA 0.716 5.023 4.320 -0.022 0.000 0.290 186 A C -1.170 176.494 177.584 0.133 0.000 1.143 186 A CA -0.668 51.446 52.037 0.127 0.000 0.728 186 A CB 1.441 20.384 19.000 -0.094 0.000 1.317 186 A HN 0.592 nan 8.150 nan 0.000 0.414 187 V N -2.071 117.908 119.914 0.108 0.000 3.001 187 V HA 0.904 5.011 4.120 -0.022 0.000 0.314 187 V C -0.885 175.293 176.094 0.140 0.000 1.099 187 V CA -0.800 61.609 62.300 0.181 0.000 0.989 187 V CB 1.554 33.517 31.823 0.233 0.000 1.040 187 V HN 0.839 nan 8.190 nan 0.000 0.434 188 V N 2.495 122.516 119.914 0.177 0.000 2.376 188 V HA 0.527 4.634 4.120 -0.022 0.000 0.287 188 V C -0.378 175.924 176.094 0.345 0.000 1.015 188 V CA -0.330 62.033 62.300 0.104 0.000 0.834 188 V CB 1.081 32.790 31.823 -0.191 0.000 1.001 188 V HN 1.050 nan 8.190 nan 0.000 0.428 189 E N 3.617 124.016 120.200 0.332 0.000 2.158 189 E HA 0.376 4.713 4.350 -0.022 0.000 0.271 189 E C -0.541 176.149 176.600 0.150 0.000 0.911 189 E CA -0.901 55.671 56.400 0.287 0.000 0.767 189 E CB 2.375 32.230 29.700 0.258 0.000 1.120 189 E HN 0.546 nan 8.360 nan 0.000 0.405 190 K N 2.142 122.329 120.400 -0.355 0.000 2.484 190 K HA 0.103 4.410 4.320 -0.022 0.000 0.280 190 K C -0.610 175.902 176.600 -0.147 0.000 1.013 190 K CA -0.076 55.929 56.287 -0.469 0.000 1.029 190 K CB 0.424 32.393 32.500 -0.886 0.000 0.902 190 K HN 0.595 nan 8.250 nan 0.000 0.481 191 A N 5.649 128.405 122.820 -0.106 0.000 2.328 191 A HA 0.396 4.703 4.320 -0.022 0.000 0.284 191 A C -0.473 177.000 177.584 -0.185 0.000 1.160 191 A CA -0.729 51.222 52.037 -0.143 0.000 0.818 191 A CB 0.297 19.060 19.000 -0.394 0.000 1.087 191 A HN 0.745 nan 8.150 nan 0.000 0.504 192 L N 1.915 123.010 121.223 -0.214 0.000 2.309 192 L HA 0.722 5.049 4.340 -0.022 0.000 0.282 192 L C 0.361 177.130 176.870 -0.168 0.000 1.036 192 L CA -0.304 54.409 54.840 -0.212 0.000 0.806 192 L CB 1.796 43.691 42.059 -0.274 0.000 1.220 192 L HN 0.663 nan 8.230 nan 0.000 0.429 193 S N 2.093 117.727 115.700 -0.109 0.000 2.582 193 S HA 0.571 5.028 4.470 -0.022 0.000 0.287 193 S C -2.542 172.031 174.600 -0.045 0.000 1.146 193 S CA -0.941 57.213 58.200 -0.076 0.000 0.941 193 S CB 1.183 64.332 63.200 -0.084 0.000 1.115 193 S HN 0.501 nan 8.310 nan 0.000 0.458 194 P HA 0.577 nan 4.420 nan 0.000 0.271 194 P C -1.252 176.044 177.300 -0.006 0.000 1.233 194 P CA -0.597 62.497 63.100 -0.009 0.000 0.789 194 P CB 0.582 32.287 31.700 0.007 0.000 0.951 195 V N 0.288 120.206 119.914 0.008 0.000 3.077 195 V HA 0.424 4.531 4.120 -0.022 0.000 0.299 195 V C -1.276 174.873 176.094 0.092 0.000 1.276 195 V CA -0.785 61.532 62.300 0.029 0.000 0.993 195 V CB 2.288 34.051 31.823 -0.100 0.000 1.076 195 V HN 0.527 nan 8.190 nan 0.000 0.434 196 R N 3.114 123.706 120.500 0.152 0.000 2.664 196 R HA 0.663 4.990 4.340 -0.022 0.000 0.286 196 R C -1.060 175.399 176.300 0.266 0.000 0.967 196 R CA -0.728 55.469 56.100 0.162 0.000 0.933 196 R CB 2.183 32.547 30.300 0.107 0.000 1.146 196 R HN 0.695 nan 8.270 nan 0.000 0.468 197 E N 2.705 123.037 120.200 0.221 0.000 2.133 197 E HA 0.317 4.654 4.350 -0.022 0.000 0.274 197 E C -0.898 175.769 176.600 0.112 0.000 0.930 197 E CA -0.389 56.150 56.400 0.231 0.000 0.770 197 E CB 1.487 31.323 29.700 0.227 0.000 1.104 197 E HN 0.213 nan 8.360 nan 0.000 0.403 198 L N 2.861 124.155 121.223 0.118 0.000 2.346 198 L HA 0.500 4.827 4.340 -0.022 0.000 0.276 198 L C -0.134 176.805 176.870 0.116 0.000 1.006 198 L CA -0.658 54.230 54.840 0.081 0.000 0.817 198 L CB 1.643 43.735 42.059 0.055 0.000 1.272 198 L HN 0.440 nan 8.230 nan 0.000 0.421 199 E N 2.167 122.406 120.200 0.066 0.000 2.293 199 E HA 0.642 4.979 4.350 -0.022 0.000 0.270 199 E C -1.523 175.109 176.600 0.054 0.000 0.879 199 E CA -0.691 55.759 56.400 0.083 0.000 0.756 199 E CB 3.655 33.376 29.700 0.035 0.000 1.208 199 E HN 0.224 nan 8.360 nan 0.000 0.428 200 V N 1.244 121.220 119.914 0.103 0.000 2.841 200 V HA 0.718 4.825 4.120 -0.022 0.000 0.310 200 V C -0.527 175.608 176.094 0.069 0.000 1.090 200 V CA -0.359 61.954 62.300 0.021 0.000 0.930 200 V CB 2.037 33.870 31.823 0.016 0.000 1.014 200 V HN 0.753 nan 8.190 nan 0.000 0.425 201 G N 4.125 112.879 108.800 -0.078 0.000 2.400 201 G HA2 0.610 4.557 3.960 -0.022 0.000 0.301 201 G HA3 0.610 4.557 3.960 -0.022 0.000 0.301 201 G C -1.130 173.887 174.900 0.195 0.000 1.154 201 G CA -0.415 44.767 45.100 0.137 0.000 0.852 201 G HN 0.875 nan 8.290 nan 0.000 0.511 202 V N 1.747 121.913 119.914 0.419 0.000 2.823 202 V HA 0.665 4.772 4.120 -0.022 0.000 0.312 202 V C -0.732 175.477 176.094 0.190 0.000 1.072 202 V CA -0.817 61.571 62.300 0.147 0.000 0.937 202 V CB 1.775 33.365 31.823 -0.388 0.000 1.013 202 V HN 0.697 nan 8.190 nan 0.000 0.430 203 L N 2.959 124.193 121.223 0.019 0.000 2.464 203 L HA 1.026 5.353 4.340 -0.022 0.000 0.266 203 L C -0.159 176.681 176.870 -0.051 0.000 0.965 203 L CA 0.887 55.688 54.840 -0.065 0.000 0.833 203 L CB 1.640 43.500 42.059 -0.332 0.000 1.296 203 L HN 1.132 nan 8.230 nan 0.000 0.405 204 G N 2.780 111.603 108.800 0.038 0.000 2.355 204 G HA2 -0.014 3.933 3.960 -0.022 0.000 0.619 204 G HA3 -0.014 3.933 3.960 -0.022 0.000 0.619 204 G C -1.701 173.319 174.900 0.200 0.000 1.337 204 G CA -1.003 44.148 45.100 0.086 0.000 0.993 204 G HN 0.662 nan 8.290 nan 0.000 0.599 205 N N 1.235 120.029 118.700 0.156 0.000 2.462 205 N HA 0.459 5.186 4.740 -0.022 0.000 0.242 205 N C 1.532 177.134 175.510 0.154 0.000 1.010 205 N CA 0.756 53.885 53.050 0.131 0.000 0.939 205 N CB 1.354 39.877 38.487 0.059 0.000 1.127 205 N HN 1.955 nan 8.380 nan 0.000 0.509 206 V N -0.236 119.752 119.914 0.123 0.000 0.489 206 V HA -0.347 3.760 4.120 -0.022 0.000 0.092 206 V C -0.051 175.958 176.094 -0.142 0.000 2.367 206 V CA 1.355 63.607 62.300 -0.079 0.000 3.630 206 V CB -1.882 29.792 31.823 -0.248 0.000 0.914 206 V HN 0.323 nan 8.190 nan 0.000 0.957 207 F N 3.346 123.392 119.950 0.159 0.000 2.313 207 F HA 0.850 5.370 4.527 -0.012 0.000 0.369 207 F C 1.153 176.998 175.800 0.075 0.000 1.109 207 F CA 0.258 58.324 58.000 0.110 0.000 1.132 207 F CB 1.021 40.058 39.000 0.062 0.000 1.291 207 F HN 0.568 nan 8.300 nan 0.000 0.496 208 G N 1.868 110.729 108.800 0.102 0.000 2.552 208 G HA2 0.458 4.405 3.960 -0.022 0.000 0.318 208 G HA3 0.458 4.405 3.960 -0.022 0.000 0.318 208 G C -1.452 173.440 174.900 -0.012 0.000 1.240 208 G CA -0.563 44.502 45.100 -0.057 0.000 1.002 208 G HN 0.486 nan 8.290 nan 0.000 0.493 209 E N -0.427 119.767 120.200 -0.010 0.000 2.158 209 E HA 0.558 4.895 4.350 -0.022 0.000 0.271 209 E C -0.174 176.479 176.600 0.088 0.000 0.911 209 E CA -0.801 55.633 56.400 0.056 0.000 0.767 209 E CB 1.568 31.328 29.700 0.100 0.000 1.120 209 E HN 0.577 nan 8.360 nan 0.000 0.405 210 A N 2.952 125.792 122.820 0.033 0.000 2.302 210 A HA 0.506 4.813 4.320 -0.022 0.000 0.285 210 A C 0.031 177.542 177.584 -0.121 0.000 1.105 210 A CA -0.330 51.692 52.037 -0.025 0.000 0.816 210 A CB 1.030 19.998 19.000 -0.053 0.000 1.067 210 A HN 0.693 nan 8.150 nan 0.000 0.489 211 S N 1.064 116.531 115.700 -0.388 0.000 2.745 211 S HA 0.768 5.225 4.470 -0.022 0.000 0.292 211 S C -2.870 171.499 174.600 -0.384 0.000 1.133 211 S CA -1.441 56.352 58.200 -0.679 0.000 0.998 211 S CB 0.850 63.132 63.200 -1.530 0.000 1.087 211 S HN 0.431 nan 8.310 nan 0.000 0.551 212 P HA 0.220 nan 4.420 nan 0.000 0.270 212 P C -0.878 176.293 177.300 -0.215 0.000 1.223 212 P CA -0.483 62.488 63.100 -0.215 0.000 0.785 212 P CB 0.290 31.882 31.700 -0.180 0.000 0.923 213 V N 1.283 121.102 119.914 -0.159 0.000 2.607 213 V HA 0.576 4.683 4.120 -0.022 0.000 0.289 213 V C 0.991 177.015 176.094 -0.117 0.000 1.053 213 V CA 0.226 62.445 62.300 -0.136 0.000 0.996 213 V CB 0.851 32.597 31.823 -0.128 0.000 0.995 213 V HN 0.757 nan 8.190 nan 0.000 0.476 214 G N 2.558 111.299 108.800 -0.097 0.000 2.537 214 G HA2 0.698 4.645 3.960 -0.022 0.000 0.308 214 G HA3 0.698 4.645 3.960 -0.022 0.000 0.308 214 G C -1.325 173.540 174.900 -0.058 0.000 1.237 214 G CA -0.458 44.592 45.100 -0.084 0.000 0.968 214 G HN 0.695 nan 8.290 nan 0.000 0.481 215 E N -0.679 119.484 120.200 -0.061 0.000 2.256 215 E HA 0.480 4.817 4.350 -0.022 0.000 0.268 215 E C -0.956 175.593 176.600 -0.086 0.000 0.877 215 E CA -0.874 55.495 56.400 -0.051 0.000 0.757 215 E CB 2.433 32.108 29.700 -0.041 0.000 1.183 215 E HN 0.563 nan 8.360 nan 0.000 0.418 216 V N 3.264 123.114 119.914 -0.107 0.000 2.472 216 V HA 0.726 4.833 4.120 -0.022 0.000 0.290 216 V C -0.892 175.007 176.094 -0.324 0.000 1.037 216 V CA -0.537 61.625 62.300 -0.230 0.000 0.908 216 V CB 1.389 33.050 31.823 -0.270 0.000 0.985 216 V HN 0.630 nan 8.190 nan 0.000 0.454 217 R N 3.845 124.109 120.500 -0.393 0.000 2.807 217 R HA 0.537 4.864 4.340 -0.022 0.000 0.276 217 R C -1.813 174.199 176.300 -0.480 0.000 0.979 217 R CA -0.500 55.408 56.100 -0.320 0.000 0.928 217 R CB 2.172 32.393 30.300 -0.131 0.000 1.191 217 R HN 0.854 nan 8.270 nan 0.000 0.471 218 Y N 0.682 120.992 120.300 0.016 0.000 2.328 218 Y HA 0.271 4.807 4.550 -0.023 0.000 0.333 218 Y C 0.628 176.533 175.900 0.009 0.000 0.958 218 Y CA -0.701 57.406 58.100 0.013 0.000 1.167 218 Y CB 1.314 39.784 38.460 0.016 0.000 1.151 218 Y HN 0.382 nan 8.280 nan 0.000 0.470 219 E N 1.624 121.903 120.200 0.131 0.000 2.409 219 E HA 0.408 4.745 4.350 -0.022 0.000 0.257 219 E C -0.051 176.597 176.600 0.081 0.000 1.150 219 E CA -0.448 55.998 56.400 0.078 0.000 0.942 219 E CB 0.666 30.395 29.700 0.050 0.000 0.979 219 E HN 0.730 nan 8.360 nan 0.000 0.447 220 A N 2.643 125.494 122.820 0.052 0.000 2.507 220 A HA 0.179 4.486 4.320 -0.022 0.000 0.235 220 A C -1.642 175.962 177.584 0.034 0.000 1.070 220 A CA -0.764 51.296 52.037 0.039 0.000 0.768 220 A CB -0.470 18.546 19.000 0.026 0.000 1.011 220 A HN 0.470 nan 8.150 nan 0.000 0.502 233 R N 1.352 121.907 120.500 0.090 0.000 2.679 233 R HA 0.558 4.885 4.340 -0.022 0.000 0.268 233 R C 0.528 176.918 176.300 0.151 0.000 1.044 233 R CA 0.412 56.571 56.100 0.098 0.000 1.105 233 R CB 0.645 30.977 30.300 0.055 0.000 0.989 233 R HN 0.723 nan 8.270 nan 0.000 0.447 234 A N 3.680 126.582 122.820 0.136 0.000 2.305 234 A HA 0.333 4.640 4.320 -0.022 0.000 0.322 234 A C -0.880 176.666 177.584 -0.064 0.000 1.187 234 A CA -0.673 51.389 52.037 0.043 0.000 0.825 234 A CB 0.847 19.906 19.000 0.098 0.000 1.164 234 A HN 0.826 nan 8.150 nan 0.000 0.498 235 E N 0.905 121.014 120.200 -0.151 0.000 2.221 235 E HA 0.550 4.887 4.350 -0.022 0.000 0.268 235 E C -1.652 174.864 176.600 -0.141 0.000 0.933 235 E CA -0.837 55.496 56.400 -0.112 0.000 0.809 235 E CB 1.804 31.451 29.700 -0.089 0.000 1.190 235 E HN 0.356 nan 8.360 nan 0.000 0.406 236 L N 2.548 123.711 121.223 -0.099 0.000 2.366 236 L HA 0.276 4.603 4.340 -0.022 0.000 0.266 236 L C -0.826 175.995 176.870 -0.082 0.000 1.010 236 L CA -0.064 54.718 54.840 -0.097 0.000 0.879 236 L CB 0.769 42.778 42.059 -0.082 0.000 1.228 236 L HN 0.394 nan 8.230 nan 0.000 0.439 237 L N 4.749 125.922 121.223 -0.083 0.000 2.418 237 L HA 0.358 4.685 4.340 -0.022 0.000 0.274 237 L C -0.269 176.558 176.870 -0.072 0.000 1.135 237 L CA 0.344 55.142 54.840 -0.069 0.000 0.870 237 L CB 0.264 42.285 42.059 -0.063 0.000 1.154 237 L HN 0.441 nan 8.230 nan 0.000 0.462 238 I N 5.173 125.702 120.570 -0.069 0.000 2.529 238 I HA 0.314 4.471 4.170 -0.022 0.000 0.284 238 I C -1.893 174.183 176.117 -0.068 0.000 1.088 238 I CA -1.498 59.756 61.300 -0.077 0.000 1.062 238 I CB 2.000 39.948 38.000 -0.088 0.000 1.218 238 I HN 0.523 nan 8.210 nan 0.000 0.442 239 P HA 0.471 nan 4.420 nan 0.000 0.278 239 P C -0.426 176.833 177.300 -0.068 0.000 1.258 239 P CA -0.441 62.612 63.100 -0.078 0.000 0.811 239 P CB 1.221 32.874 31.700 -0.078 0.000 1.063 240 A N 2.780 125.557 122.820 -0.071 0.000 2.498 240 A HA 0.277 4.584 4.320 -0.022 0.000 0.239 240 A C -1.692 175.861 177.584 -0.052 0.000 1.068 240 A CA -0.929 51.072 52.037 -0.059 0.000 0.766 240 A CB -0.970 17.994 19.000 -0.059 0.000 1.003 240 A HN 0.469 nan 8.150 nan 0.000 0.497 241 P HA 0.276 nan 4.420 nan 0.000 0.237 241 P C -0.848 176.432 177.300 -0.034 0.000 1.788 241 P CA 0.432 63.511 63.100 -0.035 0.000 1.061 241 P CB -0.212 31.471 31.700 -0.029 0.000 1.967 242 L N 0.993 122.190 121.223 -0.042 0.000 2.286 242 L HA 0.498 4.825 4.340 -0.022 0.000 0.265 242 L C 0.675 177.520 176.870 -0.042 0.000 1.012 242 L CA -1.179 53.636 54.840 -0.043 0.000 0.818 242 L CB 1.136 43.161 42.059 -0.058 0.000 1.337 242 L HN 0.030 nan 8.230 nan 0.000 0.438 243 D N 1.105 121.481 120.400 -0.041 0.000 2.354 243 D HA 0.135 4.762 4.640 -0.022 0.000 0.247 243 D C -1.509 174.764 176.300 -0.046 0.000 1.138 243 D CA -1.265 52.712 54.000 -0.038 0.000 0.958 243 D CB 0.918 41.698 40.800 -0.033 0.000 1.144 243 D HN 0.287 nan 8.370 nan 0.000 0.458 244 P HA -0.181 nan 4.420 nan 0.000 0.214 244 P C 1.361 178.630 177.300 -0.051 0.000 1.163 244 P CA 1.573 64.647 63.100 -0.044 0.000 0.889 244 P CB 0.050 31.729 31.700 -0.035 0.000 0.790 245 G N -0.680 108.092 108.800 -0.047 0.000 2.418 245 G HA2 -0.229 3.718 3.960 -0.022 0.000 0.217 245 G HA3 -0.229 3.718 3.960 -0.022 0.000 0.217 245 G C 1.592 176.451 174.900 -0.069 0.000 1.158 245 G CA 1.675 46.744 45.100 -0.051 0.000 0.771 245 G HN 0.232 nan 8.290 nan 0.000 0.545 246 T N 0.364 114.875 114.554 -0.073 0.000 2.708 246 T HA -0.176 4.161 4.350 -0.022 0.000 0.266 246 T C 2.257 176.879 174.700 -0.129 0.000 1.037 246 T CA 1.625 63.667 62.100 -0.097 0.000 1.146 246 T CB -0.266 68.553 68.868 -0.082 0.000 0.865 246 T HN 0.496 nan 8.240 nan 0.000 0.435 247 Q N 1.025 120.759 119.800 -0.111 0.000 2.030 247 Q HA -0.212 4.115 4.340 -0.022 0.000 0.204 247 Q C 2.149 178.069 176.000 -0.132 0.000 0.986 247 Q CA 1.813 57.542 55.803 -0.124 0.000 0.843 247 Q CB -0.158 28.523 28.738 -0.096 0.000 0.904 247 Q HN 0.600 nan 8.270 nan 0.000 0.420 248 E N -0.526 119.613 120.200 -0.101 0.000 2.153 248 E HA -0.151 4.186 4.350 -0.022 0.000 0.194 248 E C 1.966 178.505 176.600 -0.101 0.000 0.988 248 E CA 1.593 57.940 56.400 -0.088 0.000 0.811 248 E CB 0.030 29.692 29.700 -0.062 0.000 0.746 248 E HN 0.450 nan 8.360 nan 0.000 0.466 249 T N 0.564 115.047 114.554 -0.119 0.000 2.821 249 T HA -0.095 4.242 4.350 -0.022 0.000 0.267 249 T C 2.091 176.664 174.700 -0.212 0.000 1.046 249 T CA 0.744 62.767 62.100 -0.130 0.000 1.139 249 T CB -0.094 68.700 68.868 -0.123 0.000 0.871 249 T HN -0.019 nan 8.240 nan 0.000 0.454 250 V N 1.620 121.343 119.914 -0.318 0.000 2.261 250 V HA -0.234 3.873 4.120 -0.022 0.000 0.246 250 V C 2.633 178.505 176.094 -0.371 0.000 1.047 250 V CA 1.724 63.666 62.300 -0.596 0.000 1.015 250 V CB -0.691 30.778 31.823 -0.589 0.000 0.642 250 V HN 0.491 nan 8.190 nan 0.000 0.446 251 Q N -0.458 119.222 119.800 -0.200 0.000 2.061 251 Q HA -0.249 4.078 4.340 -0.022 0.000 0.204 251 Q C 2.455 178.435 176.000 -0.033 0.000 0.984 251 Q CA 1.897 57.644 55.803 -0.092 0.000 0.846 251 Q CB -0.304 28.383 28.738 -0.085 0.000 0.902 251 Q HN 0.666 nan 8.270 nan 0.000 0.421 252 E N 1.021 121.196 120.200 -0.042 0.000 2.058 252 E HA -0.215 4.122 4.350 -0.022 0.000 0.194 252 E C 1.993 178.619 176.600 0.042 0.000 0.997 252 E CA 1.063 57.463 56.400 0.000 0.000 0.801 252 E CB -0.116 29.577 29.700 -0.011 0.000 0.746 252 E HN 0.370 nan 8.360 nan 0.000 0.450 253 L N 0.414 121.662 121.223 0.041 0.000 2.083 253 L HA -0.174 4.153 4.340 -0.022 0.000 0.209 253 L C 2.813 179.839 176.870 0.260 0.000 1.083 253 L CA 1.122 56.052 54.840 0.151 0.000 0.752 253 L CB -0.580 41.602 42.059 0.206 0.000 0.899 253 L HN 0.168 nan 8.230 nan 0.000 0.433 254 A N 0.003 123.011 122.820 0.314 0.000 1.877 254 A HA -0.179 4.128 4.320 -0.022 0.000 0.216 254 A C 2.117 179.812 177.584 0.185 0.000 1.186 254 A CA 1.378 53.604 52.037 0.316 0.000 0.620 254 A CB -0.542 18.633 19.000 0.292 0.000 0.822 254 A HN 0.249 nan 8.150 nan 0.000 0.443 255 L N -0.023 121.268 121.223 0.114 0.000 2.083 255 L HA -0.117 4.210 4.340 -0.022 0.000 0.209 255 L C 2.326 179.269 176.870 0.122 0.000 1.083 255 L CA 2.192 57.087 54.840 0.091 0.000 0.752 255 L CB -1.209 40.884 42.059 0.056 0.000 0.899 255 L HN 0.542 nan 8.230 nan 0.000 0.433 256 K N -0.283 120.181 120.400 0.106 0.000 2.026 256 K HA -0.148 4.159 4.320 -0.022 0.000 0.208 256 K C 2.102 178.747 176.600 0.074 0.000 1.048 256 K CA 1.403 57.740 56.287 0.083 0.000 0.929 256 K CB 0.038 32.585 32.500 0.077 0.000 0.713 256 K HN 0.218 nan 8.250 nan 0.000 0.439 257 A N 0.305 123.181 122.820 0.094 0.000 1.877 257 A HA -0.199 4.108 4.320 -0.022 0.000 0.216 257 A C 2.072 179.691 177.584 0.058 0.000 1.186 257 A CA 1.448 53.518 52.037 0.055 0.000 0.620 257 A CB -1.012 18.012 19.000 0.040 0.000 0.822 257 A HN 0.555 nan 8.150 nan 0.000 0.443 258 Y N 0.578 120.864 120.300 -0.023 0.000 2.114 258 Y HA -0.291 4.256 4.550 -0.006 0.000 0.282 258 Y C 2.478 178.323 175.900 -0.091 0.000 1.165 258 Y CA 2.549 60.626 58.100 -0.039 0.000 1.148 258 Y CB -0.150 38.308 38.460 -0.005 0.000 0.972 258 Y HN 0.371 nan 8.280 nan 0.000 0.504 259 K N -0.668 119.772 120.400 0.066 0.000 2.001 259 K HA -0.143 4.164 4.320 -0.022 0.000 0.208 259 K C 1.870 178.386 176.600 -0.140 0.000 1.048 259 K CA 1.816 58.028 56.287 -0.126 0.000 0.932 259 K CB -0.423 31.979 32.500 -0.164 0.000 0.715 259 K HN 0.202 nan 8.250 nan 0.000 0.437 260 V N 1.779 121.650 119.914 -0.073 0.000 2.332 260 V HA -0.245 3.862 4.120 -0.022 0.000 0.248 260 V C 2.276 178.319 176.094 -0.084 0.000 1.055 260 V CA 1.666 63.929 62.300 -0.061 0.000 1.038 260 V CB -0.413 31.395 31.823 -0.025 0.000 0.651 260 V HN 0.352 nan 8.190 nan 0.000 0.450 261 L N 0.315 121.475 121.223 -0.105 0.000 2.465 261 L HA 0.131 4.458 4.340 -0.022 0.000 0.224 261 L C 1.773 178.541 176.870 -0.169 0.000 1.145 261 L CA 0.934 55.697 54.840 -0.129 0.000 0.834 261 L CB -0.781 41.192 42.059 -0.143 0.000 0.944 261 L HN 0.621 nan 8.230 nan 0.000 0.451 262 G N 0.425 109.101 108.800 -0.207 0.000 2.176 262 G HA2 -0.251 3.696 3.960 -0.022 0.000 0.252 262 G HA3 -0.251 3.696 3.960 -0.022 0.000 0.252 262 G C 0.260 174.981 174.900 -0.300 0.000 1.024 262 G CA 0.168 45.136 45.100 -0.220 0.000 0.755 262 G HN 0.119 nan 8.290 nan 0.000 0.507 263 V N -0.500 119.106 119.914 -0.514 0.000 2.872 263 V HA 0.184 4.291 4.120 -0.022 0.000 0.307 263 V C 1.744 177.521 176.094 -0.527 0.000 1.072 263 V CA 1.075 62.983 62.300 -0.654 0.000 1.148 263 V CB 1.223 32.345 31.823 -1.168 0.000 0.954 263 V HN 0.507 nan 8.190 nan 0.000 0.490 264 R N 1.789 122.130 120.500 -0.266 0.000 2.164 264 R HA 0.255 4.582 4.340 -0.022 0.000 0.198 264 R C 1.042 177.353 176.300 0.019 0.000 1.028 264 R CA 0.595 56.633 56.100 -0.103 0.000 1.083 264 R CB 0.406 30.628 30.300 -0.131 0.000 1.026 264 R HN 0.853 nan 8.270 nan 0.000 0.514 268 R N 1.319 121.837 120.500 0.030 0.000 2.387 268 R HA 0.656 4.983 4.340 -0.022 0.000 0.314 268 R C -1.573 174.769 176.300 0.070 0.000 0.958 268 R CA -0.380 55.806 56.100 0.144 0.000 0.846 268 R CB 1.483 31.815 30.300 0.054 0.000 1.147 268 R HN 0.592 nan 8.270 nan 0.000 0.447 269 V N 4.582 124.554 119.914 0.097 0.000 2.370 269 V HA 0.264 4.371 4.120 -0.022 0.000 0.283 269 V C -0.562 175.499 176.094 -0.056 0.000 1.023 269 V CA -0.829 61.457 62.300 -0.023 0.000 0.857 269 V CB 1.565 33.419 31.823 0.051 0.000 0.985 269 V HN 0.734 nan 8.190 nan 0.000 0.443 270 D N 4.169 124.422 120.400 -0.245 0.000 2.168 270 D HA 0.654 5.281 4.640 -0.022 0.000 0.246 270 D C -0.697 175.325 176.300 -0.463 0.000 1.050 270 D CA 0.040 53.908 54.000 -0.219 0.000 0.857 270 D CB 1.953 42.609 40.800 -0.241 0.000 1.169 270 D HN 0.270 nan 8.370 nan 0.000 0.453 271 F N 0.549 120.370 119.950 -0.215 0.000 2.593 271 F HA 0.504 5.022 4.527 -0.015 0.000 0.320 271 F C -0.331 175.367 175.800 -0.171 0.000 1.060 271 F CA -1.003 56.888 58.000 -0.182 0.000 0.940 271 F CB 1.317 40.287 39.000 -0.050 0.000 1.268 271 F HN 0.086 nan 8.300 nan 0.000 0.475 272 F N 2.067 122.210 119.950 0.320 0.000 2.480 272 F HA 0.649 5.164 4.527 -0.020 0.000 0.329 272 F C -0.662 175.317 175.800 0.298 0.000 1.091 272 F CA -1.199 56.956 58.000 0.257 0.000 0.972 272 F CB 1.813 40.947 39.000 0.223 0.000 1.150 272 F HN 0.140 nan 8.300 nan 0.000 0.467 273 L N 3.200 124.673 121.223 0.417 0.000 2.343 273 L HA 0.879 5.206 4.340 -0.022 0.000 0.278 273 L C -1.134 175.875 176.870 0.232 0.000 0.996 273 L CA -0.351 54.640 54.840 0.253 0.000 0.831 273 L CB 1.036 43.176 42.059 0.135 0.000 1.232 273 L HN 0.641 nan 8.230 nan 0.000 0.413 274 A N 3.519 126.490 122.820 0.252 0.000 2.427 274 A HA 0.638 4.945 4.320 -0.022 0.000 0.298 274 A C -0.190 177.488 177.584 0.158 0.000 1.036 274 A CA -0.306 51.849 52.037 0.196 0.000 0.701 274 A CB 0.766 19.894 19.000 0.213 0.000 1.250 274 A HN 0.835 nan 8.150 nan 0.000 0.412 275 E N 1.186 121.442 120.200 0.094 0.000 2.328 275 E HA -0.280 4.057 4.350 -0.022 0.000 0.233 275 E C 1.057 177.686 176.600 0.048 0.000 1.219 275 E CA 1.158 57.597 56.400 0.066 0.000 0.717 275 E CB -1.765 27.980 29.700 0.076 0.000 1.210 275 E HN 2.364 nan 8.360 nan 0.000 0.381 276 G N -0.239 108.583 108.800 0.036 0.000 2.189 276 G HA2 -0.355 3.592 3.960 -0.022 0.000 0.267 276 G HA3 -0.355 3.592 3.960 -0.022 0.000 0.267 276 G C 0.020 174.906 174.900 -0.023 0.000 0.975 276 G CA 0.901 46.005 45.100 0.007 0.000 0.644 276 G HN 0.384 nan 8.290 nan 0.000 0.537 277 E N -0.197 119.986 120.200 -0.028 0.000 2.191 277 E HA 0.605 4.942 4.350 -0.022 0.000 0.274 277 E C 0.214 176.646 176.600 -0.280 0.000 0.948 277 E CA -0.755 55.542 56.400 -0.172 0.000 0.802 277 E CB 1.927 31.492 29.700 -0.225 0.000 1.137 277 E HN 0.276 nan 8.360 nan 0.000 0.397 278 L N 2.362 123.387 121.223 -0.331 0.000 2.357 278 L HA 0.370 4.697 4.340 -0.022 0.000 0.273 278 L C -0.912 175.749 176.870 -0.349 0.000 1.080 278 L CA -0.586 54.139 54.840 -0.191 0.000 0.803 278 L CB 0.450 42.450 42.059 -0.099 0.000 1.174 278 L HN 0.475 nan 8.230 nan 0.000 0.443 279 Y N 2.279 122.753 120.300 0.290 0.000 2.361 279 Y HA 0.302 4.837 4.550 -0.024 0.000 0.328 279 Y C -0.345 175.639 175.900 0.139 0.000 1.044 279 Y CA -0.564 57.671 58.100 0.225 0.000 1.085 279 Y CB 1.718 40.321 38.460 0.238 0.000 1.194 279 Y HN 0.344 nan 8.280 nan 0.000 0.438 280 L N 3.672 124.963 121.223 0.113 0.000 2.385 280 L HA 0.189 4.516 4.340 -0.022 0.000 0.281 280 L C 0.718 177.399 176.870 -0.315 0.000 1.106 280 L CA 0.193 54.794 54.840 -0.399 0.000 0.856 280 L CB 0.461 42.285 42.059 -0.391 0.000 1.186 280 L HN 0.820 nan 8.230 nan 0.000 0.453 281 N N 3.746 122.162 118.700 -0.473 0.000 2.278 281 N HA 0.013 4.740 4.740 -0.022 0.000 0.181 281 N C -0.359 174.925 175.510 -0.377 0.000 1.023 281 N CA 0.898 53.675 53.050 -0.456 0.000 0.862 281 N CB 0.442 38.371 38.487 -0.931 0.000 1.003 281 N HN 0.737 nan 8.380 nan 0.000 0.431 282 E N -0.998 118.961 120.200 -0.402 0.000 2.363 282 E HA 0.314 4.651 4.350 -0.022 0.000 0.281 282 E C -2.009 174.439 176.600 -0.254 0.000 0.953 282 E CA -0.531 55.698 56.400 -0.286 0.000 0.778 282 E CB 1.715 31.275 29.700 -0.232 0.000 1.220 282 E HN 0.109 nan 8.360 nan 0.000 0.431 283 L N 3.952 125.064 121.223 -0.186 0.000 2.295 283 L HA 0.476 4.803 4.340 -0.022 0.000 0.281 283 L C -1.187 175.633 176.870 -0.084 0.000 1.018 283 L CA -0.490 54.276 54.840 -0.124 0.000 0.841 283 L CB 0.619 42.614 42.059 -0.107 0.000 1.218 283 L HN 0.429 nan 8.230 nan 0.000 0.424 284 N N 3.061 121.724 118.700 -0.061 0.000 2.420 284 N HA 0.095 4.822 4.740 -0.022 0.000 0.249 284 N C 0.965 176.457 175.510 -0.030 0.000 1.033 284 N CA 0.111 53.136 53.050 -0.042 0.000 0.944 284 N CB 1.729 40.189 38.487 -0.044 0.000 1.113 284 N HN 0.642 nan 8.380 nan 0.000 0.502 285 T N -1.002 113.542 114.554 -0.017 0.000 3.113 285 T HA 0.115 4.452 4.350 -0.022 0.000 0.263 285 T C 0.857 175.572 174.700 0.025 0.000 1.143 285 T CA 0.682 62.780 62.100 -0.002 0.000 1.090 285 T CB -0.056 68.804 68.868 -0.013 0.000 0.922 285 T HN 0.421 nan 8.240 nan 0.000 0.521 286 I N 3.029 123.612 120.570 0.022 0.000 2.641 286 I HA 0.327 4.484 4.170 -0.022 0.000 0.275 286 I C -2.460 173.699 176.117 0.070 0.000 1.129 286 I CA -2.408 58.935 61.300 0.073 0.000 1.094 286 I CB 1.973 39.943 38.000 -0.049 0.000 1.232 286 I HN 0.008 nan 8.210 nan 0.000 0.503 287 P HA 0.147 nan 4.420 nan 0.000 0.282 287 P C 0.252 177.424 177.300 -0.213 0.000 1.286 287 P CA -0.095 62.811 63.100 -0.322 0.000 0.777 287 P CB 0.714 31.812 31.700 -1.003 0.000 1.184 288 G N -0.860 107.820 108.800 -0.200 0.000 2.390 288 G HA2 0.356 4.303 3.960 -0.022 0.000 0.270 288 G HA3 0.356 4.303 3.960 -0.022 0.000 0.270 288 G C -0.568 174.157 174.900 -0.292 0.000 1.211 288 G CA -0.407 44.650 45.100 -0.073 0.000 0.842 288 G HN 0.306 nan 8.290 nan 0.000 0.519 289 F N 0.733 120.773 119.950 0.150 0.000 2.708 289 F HA 0.249 4.761 4.527 -0.025 0.000 0.300 289 F C 1.676 177.567 175.800 0.152 0.000 1.118 289 F CA -0.333 57.791 58.000 0.206 0.000 1.307 289 F CB 0.589 39.754 39.000 0.274 0.000 0.986 289 F HN 0.281 nan 8.300 nan 0.000 0.522 290 T N 3.017 117.653 114.554 0.136 0.000 2.813 290 T HA 0.057 4.394 4.350 -0.022 0.000 0.297 290 T C -1.144 173.535 174.700 -0.034 0.000 1.036 290 T CA -0.863 61.294 62.100 0.095 0.000 1.044 290 T CB 0.950 69.851 68.868 0.056 0.000 0.993 290 T HN 0.005 nan 8.240 nan 0.000 0.535 291 P HA 0.034 nan 4.420 nan 0.000 0.233 291 P C 1.038 178.279 177.300 -0.099 0.000 1.167 291 P CA 0.810 63.857 63.100 -0.089 0.000 0.770 291 P CB 0.282 32.030 31.700 0.080 0.000 0.837 292 T N -1.273 113.248 114.554 -0.055 0.000 3.022 292 T HA 0.140 4.477 4.350 -0.022 0.000 0.250 292 T C 0.946 175.607 174.700 -0.064 0.000 1.060 292 T CA 0.106 62.177 62.100 -0.048 0.000 1.013 292 T CB -0.210 68.649 68.868 -0.015 0.000 0.982 292 T HN 0.057 nan 8.240 nan 0.000 0.508 296 P HA -0.114 nan 4.420 nan 0.000 0.218 296 P C 0.797 177.975 177.300 -0.204 0.000 1.148 296 P CA 1.797 64.742 63.100 -0.258 0.000 0.822 296 P CB -0.052 31.200 31.700 -0.748 0.000 0.784 297 R N -0.989 119.383 120.500 -0.213 0.000 2.096 297 R HA -0.077 4.250 4.340 -0.022 0.000 0.235 297 R C 2.397 178.598 176.300 -0.165 0.000 1.127 297 R CA 0.817 56.821 56.100 -0.160 0.000 0.968 297 R CB -0.948 29.269 30.300 -0.138 0.000 0.861 297 R HN 0.139 nan 8.270 nan 0.000 0.440 298 L N -0.283 120.797 121.223 -0.237 0.000 2.012 298 L HA -0.155 4.172 4.340 -0.022 0.000 0.210 298 L C 1.970 178.606 176.870 -0.391 0.000 1.073 298 L CA 1.756 56.394 54.840 -0.337 0.000 0.748 298 L CB -0.626 41.153 42.059 -0.465 0.000 0.891 298 L HN 0.039 nan 8.230 nan 0.000 0.431 299 F N -0.250 119.552 119.950 -0.248 0.000 2.293 299 F HA -0.120 4.392 4.527 -0.024 0.000 0.300 299 F C 2.418 178.160 175.800 -0.097 0.000 1.086 299 F CA 0.855 58.754 58.000 -0.167 0.000 1.375 299 F CB -0.336 38.561 39.000 -0.172 0.000 1.045 299 F HN 0.218 nan 8.300 nan 0.000 0.516 300 E N -0.101 120.122 120.200 0.040 0.000 2.072 300 E HA -0.173 4.164 4.350 -0.022 0.000 0.191 300 E C 2.406 178.999 176.600 -0.012 0.000 0.985 300 E CA 0.964 57.379 56.400 0.024 0.000 0.801 300 E CB -0.283 29.410 29.700 -0.012 0.000 0.750 300 E HN 0.332 nan 8.360 nan 0.000 0.452 301 A N 0.819 123.602 122.820 -0.062 0.000 2.070 301 A HA -0.070 4.237 4.320 -0.022 0.000 0.220 301 A C 2.191 179.731 177.584 -0.073 0.000 1.159 301 A CA 1.435 53.427 52.037 -0.076 0.000 0.656 301 A CB -0.540 18.393 19.000 -0.111 0.000 0.800 301 A HN 0.323 nan 8.150 nan 0.000 0.453 302 G N -2.057 106.697 108.800 -0.077 0.000 3.088 302 G HA2 0.376 4.323 3.960 -0.022 0.000 0.212 302 G HA3 0.376 4.323 3.960 -0.022 0.000 0.212 302 G C 1.067 175.979 174.900 0.021 0.000 1.173 302 G CA 0.448 45.517 45.100 -0.052 0.000 0.779 302 G HN 1.584 nan 8.290 nan 0.000 0.540 303 G N -1.280 107.535 108.800 0.026 0.000 2.141 303 G HA2 -0.209 3.738 3.960 -0.022 0.000 0.242 303 G HA3 -0.209 3.738 3.960 -0.022 0.000 0.242 303 G C 0.019 174.957 174.900 0.063 0.000 0.982 303 G CA 0.090 45.212 45.100 0.037 0.000 0.662 303 G HN 0.800 nan 8.290 nan 0.000 0.527 304 V N 1.230 121.204 119.914 0.101 0.000 2.313 304 V HA 0.750 4.857 4.120 -0.022 0.000 0.278 304 V C 0.901 177.061 176.094 0.110 0.000 1.017 304 V CA -0.565 61.801 62.300 0.109 0.000 0.823 304 V CB 1.011 32.924 31.823 0.151 0.000 1.010 304 V HN 1.139 nan 8.190 nan 0.000 0.443 305 A N 3.667 126.539 122.820 0.086 0.000 2.531 305 A HA 0.191 4.498 4.320 -0.022 0.000 0.236 305 A C 0.920 178.598 177.584 0.157 0.000 1.062 305 A CA 0.081 52.179 52.037 0.101 0.000 0.760 305 A CB -0.093 18.951 19.000 0.073 0.000 0.995 305 A HN 0.832 nan 8.150 nan 0.000 0.501 306 Y N 3.948 124.249 120.300 0.001 0.000 2.102 306 Y HA -0.155 4.381 4.550 -0.023 0.000 0.280 306 Y C -0.819 175.105 175.900 0.041 0.000 1.178 306 Y CA 2.586 60.681 58.100 -0.007 0.000 1.146 306 Y CB -1.628 36.742 38.460 -0.149 0.000 0.968 306 Y HN 0.536 nan 8.280 nan 0.000 0.504 307 P HA -0.171 nan 4.420 nan 0.000 0.216 307 P C 1.458 178.723 177.300 -0.059 0.000 1.150 307 P CA 2.347 65.396 63.100 -0.086 0.000 0.837 307 P CB -0.028 31.663 31.700 -0.014 0.000 0.786 308 E N -0.469 119.729 120.200 -0.003 0.000 2.208 308 E HA -0.130 4.207 4.350 -0.022 0.000 0.193 308 E C 1.738 178.349 176.600 0.019 0.000 0.988 308 E CA 0.554 56.954 56.400 0.000 0.000 0.828 308 E CB -1.178 28.530 29.700 0.014 0.000 0.763 308 E HN 0.019 nan 8.360 nan 0.000 0.478 309 L N 0.087 121.344 121.223 0.056 0.000 2.046 309 L HA -0.043 4.284 4.340 -0.022 0.000 0.208 309 L C 2.003 178.929 176.870 0.092 0.000 1.077 309 L CA 1.639 56.518 54.840 0.065 0.000 0.747 309 L CB -0.404 41.776 42.059 0.203 0.000 0.896 309 L HN 0.268 nan 8.230 nan 0.000 0.432 310 L N -0.672 120.596 121.223 0.076 0.000 2.109 310 L HA -0.119 4.208 4.340 -0.022 0.000 0.207 310 L C 2.799 179.748 176.870 0.131 0.000 1.086 310 L CA 0.926 55.823 54.840 0.095 0.000 0.760 310 L CB -0.705 41.357 42.059 0.005 0.000 0.910 310 L HN 0.322 nan 8.230 nan 0.000 0.437 311 R N 1.245 121.799 120.500 0.090 0.000 2.083 311 R HA -0.177 4.150 4.340 -0.022 0.000 0.237 311 R C 2.270 178.677 176.300 0.178 0.000 1.137 311 R CA 1.768 57.970 56.100 0.171 0.000 0.951 311 R CB -0.313 29.992 30.300 0.008 0.000 0.851 311 R HN 0.335 nan 8.270 nan 0.000 0.434 312 R N 0.129 120.671 120.500 0.071 0.000 2.075 312 R HA -0.041 4.286 4.340 -0.022 0.000 0.232 312 R C 2.598 178.895 176.300 -0.004 0.000 1.126 312 R CA 1.465 57.580 56.100 0.025 0.000 0.963 312 R CB -0.436 29.850 30.300 -0.024 0.000 0.858 312 R HN 0.223 nan 8.270 nan 0.000 0.435 313 L N 0.362 121.573 121.223 -0.020 0.000 2.012 313 L HA -0.205 4.122 4.340 -0.022 0.000 0.210 313 L C 2.426 179.199 176.870 -0.162 0.000 1.073 313 L CA 1.189 55.965 54.840 -0.107 0.000 0.748 313 L CB -0.506 41.451 42.059 -0.169 0.000 0.891 313 L HN 0.047 nan 8.230 nan 0.000 0.431 314 V N -0.363 119.489 119.914 -0.103 0.000 2.295 314 V HA -0.274 3.833 4.120 -0.022 0.000 0.246 314 V C 2.323 178.332 176.094 -0.142 0.000 1.049 314 V CA 1.820 64.031 62.300 -0.148 0.000 1.024 314 V CB -0.481 31.254 31.823 -0.147 0.000 0.648 314 V HN 0.436 nan 8.190 nan 0.000 0.447 315 E N -0.080 120.082 120.200 -0.062 0.000 2.110 315 E HA -0.160 4.177 4.350 -0.022 0.000 0.193 315 E C 2.211 178.773 176.600 -0.063 0.000 0.988 315 E CA 0.990 57.359 56.400 -0.052 0.000 0.804 315 E CB -0.175 29.538 29.700 0.022 0.000 0.745 315 E HN 0.504 nan 8.360 nan 0.000 0.458 316 L N 0.290 121.474 121.223 -0.065 0.000 2.131 316 L HA -0.169 4.158 4.340 -0.022 0.000 0.210 316 L C 2.432 179.237 176.870 -0.108 0.000 1.092 316 L CA 0.784 55.584 54.840 -0.068 0.000 0.759 316 L CB -0.359 41.666 42.059 -0.057 0.000 0.903 316 L HN 0.167 nan 8.230 nan 0.000 0.435 317 A N -0.147 122.583 122.820 -0.150 0.000 2.067 317 A HA -0.099 4.208 4.320 -0.022 0.000 0.219 317 A C 2.126 179.615 177.584 -0.159 0.000 1.158 317 A CA 1.112 53.031 52.037 -0.197 0.000 0.661 317 A CB -0.459 18.416 19.000 -0.209 0.000 0.801 317 A HN 0.426 nan 8.150 nan 0.000 0.452 318 L N -1.455 119.698 121.223 -0.117 0.000 2.418 318 L HA 0.069 4.396 4.340 -0.022 0.000 0.218 318 L C 0.694 177.521 176.870 -0.071 0.000 1.125 318 L CA 0.378 55.165 54.840 -0.089 0.000 0.835 318 L CB -0.717 41.296 42.059 -0.077 0.000 0.953 318 L HN 0.346 nan 8.230 nan 0.000 0.454 319 T N 0.000 114.512 114.554 -0.071 0.000 3.816 319 T HA 0.000 4.337 4.350 -0.022 0.000 0.228 319 T CA 0.000 62.071 62.100 -0.049 0.000 1.349 319 T CB 0.000 68.838 68.868 -0.050 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658