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 2ehh_1_C DATA FIRST_RESID 2 DATA SEQUENCE FQGSIVALIT PFKEGEVDYE ALGNLIEFHV DNGTDAILVC GTTGESPTLT DATA SEQUENCE FEEHEKVIEF AVKRAAGRIK VIAGTGGNAT HEAVHLTAHA KEVGADGALV DATA SEQUENCE VVPYYNKPTQ RGLYEHFKTV AQEVDIPIII YNIPSRTCVE ISVDTMFKLA DATA SEQUENCE SECENIVASK ESTPNMDRIS EIVKRLGESF SVLSGDDSLT LPMMALGAKG DATA SEQUENCE VISVANNVMP REVKELIRAA LEGDFRRARE IHYYLHDLFK VLFIETNPIP DATA SEQUENCE VKTACWMLGM CEKEFRLPLT EMSPENENKL REVLKKYNLP LKN 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 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.762 175.800 -0.063 0.000 0.967 2 F CA 0.000 57.959 58.000 -0.068 0.000 1.383 2 F CB 0.000 38.950 39.000 -0.084 0.000 1.145 3 Q N 1.602 121.478 119.800 0.127 0.000 2.832 3 Q HA 0.842 5.182 4.340 0.001 0.000 0.322 3 Q C -0.001 176.028 176.000 0.047 0.000 0.842 3 Q CA -0.540 55.299 55.803 0.061 0.000 0.780 3 Q CB 1.646 30.400 28.738 0.026 0.000 1.411 3 Q HN 1.762 nan 8.270 nan 0.000 0.490 4 G N 0.638 109.455 108.800 0.028 0.000 2.553 4 G HA2 -0.190 3.770 3.960 0.001 0.000 0.242 4 G HA3 -0.190 3.770 3.960 0.001 0.000 0.242 4 G C -0.517 174.396 174.900 0.021 0.000 1.277 4 G CA -0.209 44.904 45.100 0.021 0.000 0.910 4 G HN 1.329 nan 8.290 nan 0.000 0.576 5 S N 0.128 115.839 115.700 0.019 0.000 2.399 5 S HA 0.638 5.108 4.470 0.001 0.000 0.301 5 S C 0.248 174.852 174.600 0.007 0.000 1.093 5 S CA -0.594 57.617 58.200 0.020 0.000 1.077 5 S CB -0.500 62.718 63.200 0.030 0.000 0.980 5 S HN 0.630 nan 8.310 nan 0.000 0.494 6 I N 4.686 125.249 120.570 -0.011 0.000 2.404 6 I HA 0.424 4.595 4.170 0.001 0.000 0.293 6 I C -0.185 175.891 176.117 -0.068 0.000 0.992 6 I CA -0.973 60.301 61.300 -0.044 0.000 1.149 6 I CB 1.950 39.914 38.000 -0.059 0.000 1.315 6 I HN 0.304 nan 8.210 nan 0.000 0.446 7 V N 6.374 126.214 119.914 -0.123 0.000 2.394 7 V HA 0.594 4.714 4.120 0.001 0.000 0.282 7 V C 0.418 176.424 176.094 -0.147 0.000 1.031 7 V CA -0.369 61.844 62.300 -0.145 0.000 0.881 7 V CB 1.468 33.100 31.823 -0.319 0.000 0.982 7 V HN 0.839 nan 8.190 nan 0.000 0.451 8 A N 7.530 130.292 122.820 -0.098 0.000 2.805 8 A HA 0.479 4.799 4.320 0.001 0.000 0.301 8 A C -0.281 177.254 177.584 -0.082 0.000 1.557 8 A CA -0.300 51.679 52.037 -0.096 0.000 1.254 8 A CB -0.384 18.572 19.000 -0.073 0.000 1.114 8 A HN 0.940 nan 8.150 nan 0.000 0.553 9 L N 3.659 124.818 121.223 -0.107 0.000 2.456 9 L HA 0.298 4.638 4.340 0.001 0.000 0.272 9 L C 0.574 177.388 176.870 -0.093 0.000 1.189 9 L CA 0.089 54.875 54.840 -0.090 0.000 0.846 9 L CB 0.344 42.343 42.059 -0.099 0.000 1.111 9 L HN 0.664 nan 8.230 nan 0.000 0.475 10 I N 0.228 120.742 120.570 -0.094 0.000 2.945 10 I HA 0.300 4.470 4.170 0.001 0.000 0.292 10 I C -0.117 175.856 176.117 -0.239 0.000 1.093 10 I CA -0.380 60.827 61.300 -0.154 0.000 1.336 10 I CB 0.566 38.470 38.000 -0.161 0.000 1.435 10 I HN 0.489 nan 8.210 nan 0.000 0.593 11 T N 4.512 118.835 114.554 -0.384 0.000 2.821 11 T HA 0.405 4.755 4.350 0.001 0.000 0.307 11 T C -2.445 171.738 174.700 -0.861 0.000 1.034 11 T CA -1.037 60.728 62.100 -0.558 0.000 0.953 11 T CB 1.018 69.532 68.868 -0.591 0.000 0.968 11 T HN 0.478 nan 8.240 nan 0.000 0.462 12 P HA 0.304 nan 4.420 nan 0.000 0.268 12 P C -0.862 176.092 177.300 -0.577 0.000 1.204 12 P CA -0.091 62.691 63.100 -0.531 0.000 0.768 12 P CB 0.341 31.851 31.700 -0.316 0.000 0.842 13 F N 1.868 121.688 119.950 -0.216 0.000 2.561 13 F HA 0.578 5.105 4.527 0.001 0.000 0.321 13 F C 0.671 176.381 175.800 -0.150 0.000 1.065 13 F CA -0.846 57.041 58.000 -0.188 0.000 0.934 13 F CB 2.539 41.436 39.000 -0.172 0.000 1.215 13 F HN 0.053 nan 8.300 nan 0.000 0.471 14 K N 2.477 122.936 120.400 0.098 0.000 2.615 14 K HA 0.148 4.468 4.320 0.001 0.000 0.249 14 K C -0.866 175.740 176.600 0.011 0.000 0.977 14 K CA -0.479 55.824 56.287 0.027 0.000 0.833 14 K CB 1.095 33.598 32.500 0.006 0.000 1.208 14 K HN 0.787 nan 8.250 nan 0.000 0.443 15 E N 2.514 122.710 120.200 -0.006 0.000 2.199 15 E HA -0.303 4.047 4.350 0.001 0.000 0.208 15 E C 0.444 177.020 176.600 -0.041 0.000 1.310 15 E CA 0.936 57.323 56.400 -0.022 0.000 0.709 15 E CB -2.179 27.514 29.700 -0.012 0.000 1.127 15 E HN 1.097 nan 8.360 nan 0.000 0.354 16 G N -0.561 108.191 108.800 -0.080 0.000 2.199 16 G HA2 -0.301 3.659 3.960 0.001 0.000 0.254 16 G HA3 -0.301 3.659 3.960 0.001 0.000 0.254 16 G C 0.061 174.877 174.900 -0.140 0.000 0.982 16 G CA 0.637 45.656 45.100 -0.136 0.000 0.632 16 G HN 0.490 nan 8.290 nan 0.000 0.529 17 E N -0.510 119.660 120.200 -0.051 0.000 2.378 17 E HA 0.608 4.958 4.350 0.001 0.000 0.265 17 E C 0.221 176.883 176.600 0.103 0.000 0.932 17 E CA -0.875 55.528 56.400 0.006 0.000 0.795 17 E CB 1.829 31.548 29.700 0.032 0.000 1.296 17 E HN 0.204 nan 8.360 nan 0.000 0.438 18 V N 1.807 121.761 119.914 0.068 0.000 2.599 18 V HA -0.056 4.064 4.120 0.001 0.000 0.300 18 V C 0.421 176.317 176.094 -0.329 0.000 1.034 18 V CA 0.228 62.443 62.300 -0.141 0.000 1.115 18 V CB 0.381 31.904 31.823 -0.499 0.000 0.934 18 V HN 0.504 nan 8.190 nan 0.000 0.485 19 D N 3.811 124.012 120.400 -0.331 0.000 2.468 19 D HA 0.153 4.793 4.640 0.001 0.000 0.218 19 D C 0.575 176.653 176.300 -0.370 0.000 1.155 19 D CA -0.123 53.733 54.000 -0.241 0.000 0.924 19 D CB 0.316 41.026 40.800 -0.150 0.000 1.029 19 D HN 0.531 nan 8.370 nan 0.000 0.515 20 Y N 1.649 121.810 120.300 -0.233 0.000 2.352 20 Y HA -0.158 4.392 4.550 0.001 0.000 0.292 20 Y C 2.290 178.098 175.900 -0.152 0.000 1.136 20 Y CA 1.229 59.080 58.100 -0.414 0.000 1.227 20 Y CB 0.102 38.231 38.460 -0.552 0.000 0.991 20 Y HN 0.515 nan 8.280 nan 0.000 0.545 21 E N -0.140 120.100 120.200 0.066 0.000 2.107 21 E HA -0.137 4.213 4.350 0.001 0.000 0.191 21 E C 2.296 178.930 176.600 0.055 0.000 0.982 21 E CA 0.999 57.457 56.400 0.096 0.000 0.809 21 E CB -0.436 29.304 29.700 0.066 0.000 0.756 21 E HN 0.276 nan 8.360 nan 0.000 0.459 22 A N 1.884 124.693 122.820 -0.017 0.000 1.898 22 A HA -0.060 4.260 4.320 0.001 0.000 0.216 22 A C 2.276 179.843 177.584 -0.029 0.000 1.181 22 A CA 1.096 53.107 52.037 -0.043 0.000 0.620 22 A CB -0.741 18.203 19.000 -0.094 0.000 0.819 22 A HN 0.371 nan 8.150 nan 0.000 0.442 23 L N -0.551 120.632 121.223 -0.067 0.000 2.046 23 L HA -0.117 4.224 4.340 0.001 0.000 0.208 23 L C 2.530 179.527 176.870 0.210 0.000 1.077 23 L CA 1.484 56.320 54.840 -0.007 0.000 0.747 23 L CB -0.637 41.315 42.059 -0.178 0.000 0.896 23 L HN 0.451 nan 8.230 nan 0.000 0.432 24 G N -0.483 108.506 108.800 0.316 0.000 2.440 24 G HA2 -0.316 3.644 3.960 0.001 0.000 0.218 24 G HA3 -0.316 3.644 3.960 0.001 0.000 0.218 24 G C 1.246 176.260 174.900 0.190 0.000 1.154 24 G CA 1.130 46.442 45.100 0.352 0.000 0.767 24 G HN 0.527 nan 8.290 nan 0.000 0.552 25 N N -0.273 118.506 118.700 0.132 0.000 2.244 25 N HA -0.058 4.682 4.740 0.001 0.000 0.183 25 N C 1.984 177.571 175.510 0.128 0.000 1.016 25 N CA 0.262 53.370 53.050 0.096 0.000 0.866 25 N CB -0.086 38.424 38.487 0.039 0.000 0.980 25 N HN 0.109 nan 8.380 nan 0.000 0.430 26 L N 1.354 122.653 121.223 0.127 0.000 2.046 26 L HA -0.072 4.268 4.340 0.001 0.000 0.208 26 L C 1.935 179.006 176.870 0.335 0.000 1.077 26 L CA 1.297 56.258 54.840 0.201 0.000 0.747 26 L CB -0.510 41.633 42.059 0.141 0.000 0.896 26 L HN 0.211 nan 8.230 nan 0.000 0.432 27 I N -1.035 119.682 120.570 0.244 0.000 2.179 27 I HA -0.288 3.882 4.170 0.001 0.000 0.242 27 I C 2.311 178.535 176.117 0.178 0.000 1.088 27 I CA 1.114 62.540 61.300 0.209 0.000 1.357 27 I CB -0.199 37.886 38.000 0.141 0.000 1.051 27 I HN 0.208 nan 8.210 nan 0.000 0.409 28 E N 0.450 120.738 120.200 0.146 0.000 2.150 28 E HA -0.221 4.129 4.350 0.001 0.000 0.193 28 E C 1.851 178.514 176.600 0.105 0.000 0.985 28 E CA 0.926 57.386 56.400 0.101 0.000 0.814 28 E CB -0.267 29.483 29.700 0.083 0.000 0.752 28 E HN 0.398 nan 8.360 nan 0.000 0.466 29 F N 0.262 120.198 119.950 -0.023 0.000 2.126 29 F HA -0.208 4.319 4.527 0.001 0.000 0.299 29 F C 1.740 177.416 175.800 -0.206 0.000 1.096 29 F CA 1.921 59.843 58.000 -0.130 0.000 1.255 29 F CB -0.279 38.604 39.000 -0.196 0.000 0.997 29 F HN 0.140 nan 8.300 nan 0.000 0.479 30 H N -1.508 117.512 119.070 -0.084 0.000 2.482 30 H HA 0.027 4.583 4.556 0.001 0.000 0.286 30 H C 2.279 177.525 175.328 -0.137 0.000 1.017 30 H CA 1.229 57.164 56.048 -0.187 0.000 1.322 30 H CB -0.163 29.574 29.762 -0.042 0.000 1.426 30 H HN 0.151 nan 8.280 nan 0.000 0.546 31 V N 0.761 120.687 119.914 0.020 0.000 2.358 31 V HA -0.211 3.909 4.120 0.001 0.000 0.246 31 V C 1.495 177.557 176.094 -0.054 0.000 1.047 31 V CA 1.863 64.161 62.300 -0.002 0.000 1.035 31 V CB -0.181 31.648 31.823 0.012 0.000 0.658 31 V HN 0.503 nan 8.190 nan 0.000 0.452 32 D N 0.048 120.393 120.400 -0.092 0.000 2.269 32 D HA -0.075 4.565 4.640 0.001 0.000 0.208 32 D C 1.572 177.773 176.300 -0.165 0.000 0.963 32 D CA 0.791 54.726 54.000 -0.109 0.000 0.864 32 D CB -0.221 40.527 40.800 -0.087 0.000 0.936 32 D HN 0.420 nan 8.370 nan 0.000 0.505 33 N N -0.351 118.189 118.700 -0.267 0.000 2.230 33 N HA 0.097 4.837 4.740 0.001 0.000 0.202 33 N C 1.189 176.609 175.510 -0.150 0.000 1.119 33 N CA 0.534 53.422 53.050 -0.269 0.000 0.851 33 N CB 1.557 39.740 38.487 -0.508 0.000 0.990 33 N HN 0.180 nan 8.380 nan 0.000 0.497 34 G N 0.692 109.434 108.800 -0.097 0.000 2.176 34 G HA2 -0.274 3.687 3.960 0.001 0.000 0.253 34 G HA3 -0.274 3.687 3.960 0.001 0.000 0.253 34 G C 0.287 175.175 174.900 -0.020 0.000 0.979 34 G CA 0.337 45.408 45.100 -0.049 0.000 0.641 34 G HN 0.294 nan 8.290 nan 0.000 0.530 35 T N 1.424 115.977 114.554 -0.002 0.000 2.946 35 T HA 0.247 4.598 4.350 0.001 0.000 0.312 35 T C 1.215 175.926 174.700 0.018 0.000 1.066 35 T CA 0.662 62.785 62.100 0.039 0.000 1.138 35 T CB 0.802 69.747 68.868 0.128 0.000 1.014 35 T HN 0.219 nan 8.240 nan 0.000 0.544 36 D N 1.027 121.435 120.400 0.013 0.000 2.194 36 D HA 0.222 4.862 4.640 0.001 0.000 0.204 36 D C 0.763 177.075 176.300 0.020 0.000 0.964 36 D CA 0.707 54.715 54.000 0.015 0.000 0.846 36 D CB 0.270 41.083 40.800 0.021 0.000 0.962 36 D HN 0.660 nan 8.370 nan 0.000 0.490 37 A N -0.102 122.721 122.820 0.004 0.000 2.612 37 A HA 0.623 4.943 4.320 0.001 0.000 0.293 37 A C -1.481 176.065 177.584 -0.064 0.000 1.075 37 A CA -0.629 51.408 52.037 -0.001 0.000 0.680 37 A CB 1.217 20.244 19.000 0.045 0.000 1.279 37 A HN -0.000 nan 8.150 nan 0.000 0.411 38 I N 1.687 122.216 120.570 -0.068 0.000 2.389 38 I HA 0.379 4.549 4.170 0.001 0.000 0.288 38 I C -0.629 175.432 176.117 -0.094 0.000 0.999 38 I CA -0.439 60.789 61.300 -0.121 0.000 1.129 38 I CB 1.693 39.636 38.000 -0.095 0.000 1.288 38 I HN 0.586 nan 8.210 nan 0.000 0.444 39 L N 8.381 129.532 121.223 -0.121 0.000 2.265 39 L HA 0.582 4.922 4.340 0.001 0.000 0.289 39 L C -0.469 176.347 176.870 -0.090 0.000 1.033 39 L CA -0.612 54.162 54.840 -0.111 0.000 0.814 39 L CB 1.242 43.213 42.059 -0.145 0.000 1.203 39 L HN 0.479 nan 8.230 nan 0.000 0.423 40 V N 1.178 121.057 119.914 -0.058 0.000 2.732 40 V HA 0.463 4.584 4.120 0.001 0.000 0.310 40 V C 0.652 176.714 176.094 -0.054 0.000 1.053 40 V CA -0.773 61.494 62.300 -0.055 0.000 0.957 40 V CB 1.165 32.975 31.823 -0.020 0.000 1.018 40 V HN 1.028 nan 8.190 nan 0.000 0.452 41 C N 2.075 121.318 119.300 -0.095 0.000 4.497 41 C HA -0.063 4.398 4.460 0.001 0.000 0.292 41 C C 1.241 176.226 174.990 -0.009 0.000 1.366 41 C CA 0.519 59.467 59.018 -0.117 0.000 1.987 41 C CB -2.494 25.166 27.740 -0.133 0.000 1.241 41 C HN 1.674 nan 8.230 nan 0.000 0.788 42 G N -0.148 108.641 108.800 -0.018 0.000 2.532 42 G HA2 0.497 4.457 3.960 0.001 0.000 0.291 42 G HA3 0.497 4.457 3.960 0.001 0.000 0.291 42 G C 0.831 175.767 174.900 0.061 0.000 1.349 42 G CA 0.628 45.743 45.100 0.024 0.000 1.038 42 G HN 0.381 nan 8.290 nan 0.000 0.518 43 T N 0.115 114.742 114.554 0.123 0.000 2.720 43 T HA -0.145 4.205 4.350 0.001 0.000 0.268 43 T C 2.572 177.315 174.700 0.071 0.000 1.037 43 T CA 2.063 64.240 62.100 0.127 0.000 1.144 43 T CB -0.418 68.573 68.868 0.205 0.000 0.864 43 T HN 0.437 nan 8.240 nan 0.000 0.444 44 T N 0.950 115.532 114.554 0.047 0.000 2.929 44 T HA 0.017 4.368 4.350 0.001 0.000 0.271 44 T C 1.912 176.597 174.700 -0.025 0.000 1.085 44 T CA 1.098 63.206 62.100 0.014 0.000 1.125 44 T CB -0.377 68.488 68.868 -0.004 0.000 0.874 44 T HN 0.514 nan 8.240 nan 0.000 0.494 45 G N 0.461 109.236 108.800 -0.042 0.000 3.314 45 G HA2 0.211 4.171 3.960 0.001 0.000 0.238 45 G HA3 0.211 4.171 3.960 0.001 0.000 0.238 45 G C 0.092 174.940 174.900 -0.087 0.000 1.184 45 G CA -0.335 44.703 45.100 -0.103 0.000 0.806 45 G HN 0.532 nan 8.290 nan 0.000 0.536 46 E N -0.251 119.948 120.200 -0.001 0.000 2.389 46 E HA -0.261 4.089 4.350 0.001 0.000 0.243 46 E C 1.611 178.256 176.600 0.076 0.000 1.154 46 E CA 0.355 56.798 56.400 0.072 0.000 0.723 46 E CB -1.353 28.444 29.700 0.162 0.000 1.261 46 E HN 0.387 nan 8.360 nan 0.000 0.390 47 S N 0.010 115.743 115.700 0.056 0.000 2.380 47 S HA -0.127 4.343 4.470 0.001 0.000 0.229 47 S C -0.690 174.046 174.600 0.226 0.000 1.043 47 S CA 1.673 59.949 58.200 0.126 0.000 1.038 47 S CB -0.231 63.111 63.200 0.237 0.000 0.872 47 S HN 0.238 nan 8.310 nan 0.000 0.456 48 P HA -0.065 nan 4.420 nan 0.000 0.217 48 P C 1.277 178.635 177.300 0.097 0.000 1.148 48 P CA 1.843 64.987 63.100 0.073 0.000 0.828 48 P CB -0.285 31.402 31.700 -0.021 0.000 0.783 49 T N -5.128 109.492 114.554 0.110 0.000 3.105 49 T HA 0.242 4.592 4.350 0.001 0.000 0.253 49 T C 0.448 175.210 174.700 0.104 0.000 1.047 49 T CA -0.151 61.999 62.100 0.083 0.000 0.944 49 T CB -0.560 68.337 68.868 0.047 0.000 1.016 49 T HN -0.084 nan 8.240 nan 0.000 0.544 50 L N 3.336 124.665 121.223 0.177 0.000 2.312 50 L HA 0.434 4.775 4.340 0.001 0.000 0.281 50 L C 1.140 178.176 176.870 0.277 0.000 1.070 50 L CA -0.949 53.996 54.840 0.174 0.000 0.805 50 L CB 1.343 43.401 42.059 -0.002 0.000 1.174 50 L HN 0.300 nan 8.230 nan 0.000 0.434 51 T N -1.270 113.407 114.554 0.204 0.000 2.701 51 T HA 0.009 4.359 4.350 0.001 0.000 0.303 51 T C 0.940 175.821 174.700 0.303 0.000 1.030 51 T CA -0.149 62.077 62.100 0.211 0.000 1.010 51 T CB 0.550 69.505 68.868 0.146 0.000 1.007 51 T HN 0.438 nan 8.240 nan 0.000 0.532 52 F N 1.325 121.326 119.950 0.085 0.000 2.171 52 F HA 0.028 4.556 4.527 0.001 0.000 0.300 52 F C 2.262 178.100 175.800 0.065 0.000 1.090 52 F CA 1.556 59.568 58.000 0.021 0.000 1.293 52 F CB -0.427 38.561 39.000 -0.021 0.000 1.013 52 F HN 0.644 nan 8.300 nan 0.000 0.486 53 E N 0.406 120.708 120.200 0.171 0.000 2.106 53 E HA -0.179 4.171 4.350 0.001 0.000 0.192 53 E C 2.029 178.641 176.600 0.021 0.000 0.984 53 E CA 1.586 58.026 56.400 0.068 0.000 0.806 53 E CB -0.359 29.408 29.700 0.112 0.000 0.750 53 E HN 0.545 nan 8.360 nan 0.000 0.458 54 E N -0.586 119.662 120.200 0.079 0.000 2.152 54 E HA -0.151 4.199 4.350 0.001 0.000 0.192 54 E C 1.772 178.381 176.600 0.015 0.000 0.983 54 E CA 0.797 57.241 56.400 0.072 0.000 0.818 54 E CB -0.124 29.627 29.700 0.085 0.000 0.758 54 E HN 0.384 nan 8.360 nan 0.000 0.467 55 H N 1.256 120.255 119.070 -0.119 0.000 2.267 55 H HA -0.143 4.413 4.556 0.000 0.000 0.297 55 H C 2.191 177.392 175.328 -0.212 0.000 1.080 55 H CA 1.992 57.939 56.048 -0.169 0.000 1.278 55 H CB -0.128 29.463 29.762 -0.285 0.000 1.365 55 H HN 0.296 nan 8.280 nan 0.000 0.489 56 E N 0.459 120.478 120.200 -0.301 0.000 2.160 56 E HA -0.247 4.103 4.350 0.001 0.000 0.195 56 E C 1.988 178.538 176.600 -0.083 0.000 0.991 56 E CA 1.438 57.521 56.400 -0.529 0.000 0.810 56 E CB -0.051 28.967 29.700 -1.137 0.000 0.742 56 E HN 0.190 nan 8.360 nan 0.000 0.466 57 K N 1.373 121.767 120.400 -0.010 0.000 2.025 57 K HA -0.067 4.253 4.320 0.001 0.000 0.207 57 K C 2.093 178.826 176.600 0.223 0.000 1.049 57 K CA 1.258 57.615 56.287 0.117 0.000 0.933 57 K CB -0.438 32.139 32.500 0.129 0.000 0.714 57 K HN 0.091 nan 8.250 nan 0.000 0.438 58 V N 1.068 121.088 119.914 0.177 0.000 2.343 58 V HA -0.224 3.896 4.120 0.001 0.000 0.247 58 V C 2.230 178.451 176.094 0.210 0.000 1.051 58 V CA 1.833 64.244 62.300 0.185 0.000 1.036 58 V CB -0.394 31.426 31.823 -0.005 0.000 0.654 58 V HN 0.279 nan 8.190 nan 0.000 0.451 59 I N 0.018 120.683 120.570 0.158 0.000 2.179 59 I HA -0.275 3.895 4.170 0.001 0.000 0.242 59 I C 2.606 178.836 176.117 0.188 0.000 1.088 59 I CA 2.121 63.521 61.300 0.166 0.000 1.357 59 I CB -0.360 37.757 38.000 0.194 0.000 1.051 59 I HN 0.390 nan 8.210 nan 0.000 0.409 60 E N 0.886 121.229 120.200 0.238 0.000 2.077 60 E HA -0.274 4.077 4.350 0.001 0.000 0.193 60 E C 2.201 178.890 176.600 0.150 0.000 0.989 60 E CA 1.218 57.715 56.400 0.162 0.000 0.800 60 E CB -0.160 29.647 29.700 0.178 0.000 0.746 60 E HN 0.410 nan 8.360 nan 0.000 0.452 61 F N 0.944 120.943 119.950 0.082 0.000 2.134 61 F HA -0.149 4.378 4.527 0.001 0.000 0.299 61 F C 2.036 177.882 175.800 0.077 0.000 1.097 61 F CA 1.623 59.670 58.000 0.080 0.000 1.264 61 F CB -0.358 38.751 39.000 0.181 0.000 1.001 61 F HN 0.114 nan 8.300 nan 0.000 0.479 62 A N -0.233 122.738 122.820 0.253 0.000 1.898 62 A HA -0.107 4.213 4.320 0.001 0.000 0.216 62 A C 2.269 179.851 177.584 -0.004 0.000 1.181 62 A CA 1.908 54.020 52.037 0.124 0.000 0.620 62 A CB -1.327 17.758 19.000 0.142 0.000 0.819 62 A HN 0.268 nan 8.150 nan 0.000 0.442 63 V N 0.332 120.251 119.914 0.008 0.000 2.261 63 V HA -0.262 3.858 4.120 0.001 0.000 0.246 63 V C 2.458 178.513 176.094 -0.065 0.000 1.047 63 V CA 2.314 64.603 62.300 -0.019 0.000 1.015 63 V CB -0.689 31.130 31.823 -0.007 0.000 0.642 63 V HN 0.515 nan 8.190 nan 0.000 0.446 64 K N -0.163 120.179 120.400 -0.097 0.000 2.097 64 K HA -0.179 4.142 4.320 0.001 0.000 0.205 64 K C 2.387 178.872 176.600 -0.191 0.000 1.050 64 K CA 1.270 57.479 56.287 -0.130 0.000 0.938 64 K CB -0.197 32.227 32.500 -0.128 0.000 0.718 64 K HN 0.143 nan 8.250 nan 0.000 0.442 65 R N 1.216 121.524 120.500 -0.321 0.000 2.148 65 R HA 0.026 4.367 4.340 0.001 0.000 0.223 65 R C 1.864 178.065 176.300 -0.164 0.000 1.088 65 R CA 1.318 57.217 56.100 -0.336 0.000 0.985 65 R CB -0.477 29.445 30.300 -0.630 0.000 0.880 65 R HN 0.179 nan 8.270 nan 0.000 0.451 66 A N 0.445 123.195 122.820 -0.115 0.000 1.898 66 A HA 0.226 4.546 4.320 0.001 0.000 0.216 66 A C 1.367 178.923 177.584 -0.046 0.000 1.181 66 A CA 1.223 53.229 52.037 -0.052 0.000 0.620 66 A CB -0.722 18.262 19.000 -0.027 0.000 0.819 66 A HN 0.635 nan 8.150 nan 0.000 0.442 67 A N -2.472 120.314 122.820 -0.056 0.000 2.687 67 A HA 0.191 4.511 4.320 0.001 0.000 0.299 67 A C 1.956 179.522 177.584 -0.030 0.000 1.497 67 A CA 1.395 53.405 52.037 -0.045 0.000 0.751 67 A CB -2.053 16.918 19.000 -0.048 0.000 1.048 67 A HN 2.605 nan 8.150 nan 0.000 0.464 68 G N -1.384 107.402 108.800 -0.024 0.000 2.196 68 G HA2 -0.424 3.536 3.960 0.001 0.000 0.268 68 G HA3 -0.424 3.536 3.960 0.001 0.000 0.268 68 G C 0.925 175.817 174.900 -0.013 0.000 0.975 68 G CA 1.376 46.466 45.100 -0.017 0.000 0.648 68 G HN 1.096 nan 8.290 nan 0.000 0.538 69 R N -0.701 119.790 120.500 -0.014 0.000 2.189 69 R HA 0.372 4.712 4.340 0.001 0.000 0.218 69 R C 0.998 177.296 176.300 -0.003 0.000 1.074 69 R CA 1.304 57.398 56.100 -0.010 0.000 0.991 69 R CB 0.217 30.511 30.300 -0.010 0.000 0.883 69 R HN 0.600 nan 8.270 nan 0.000 0.457 70 I N 0.135 120.706 120.570 0.000 0.000 2.775 70 I HA 0.152 4.323 4.170 0.001 0.000 0.295 70 I C -1.251 174.873 176.117 0.013 0.000 1.287 70 I CA -0.900 60.405 61.300 0.008 0.000 1.029 70 I CB 1.615 39.625 38.000 0.016 0.000 1.282 70 I HN -0.247 nan 8.210 nan 0.000 0.426 71 K N 5.069 125.482 120.400 0.023 0.000 2.436 71 K HA 0.374 4.694 4.320 0.001 0.000 0.275 71 K C -1.059 175.566 176.600 0.041 0.000 0.999 71 K CA -0.243 56.071 56.287 0.045 0.000 0.980 71 K CB 1.207 33.755 32.500 0.080 0.000 0.919 71 K HN 0.405 nan 8.250 nan 0.000 0.484 72 V N 4.955 124.898 119.914 0.048 0.000 2.487 72 V HA 0.408 4.528 4.120 0.001 0.000 0.298 72 V C 0.004 176.119 176.094 0.036 0.000 1.028 72 V CA -0.789 61.529 62.300 0.029 0.000 0.860 72 V CB 1.551 33.388 31.823 0.024 0.000 0.991 72 V HN 0.565 nan 8.190 nan 0.000 0.427 73 I N 3.839 124.404 120.570 -0.009 0.000 2.404 73 I HA 0.725 4.896 4.170 0.001 0.000 0.293 73 I C 0.331 176.427 176.117 -0.035 0.000 0.992 73 I CA -0.565 60.703 61.300 -0.053 0.000 1.149 73 I CB 1.921 39.813 38.000 -0.180 0.000 1.315 73 I HN 0.674 nan 8.210 nan 0.000 0.446 74 A N 4.527 127.344 122.820 -0.005 0.000 2.276 74 A HA 0.697 5.018 4.320 0.001 0.000 0.316 74 A C 0.270 177.878 177.584 0.040 0.000 1.229 74 A CA -0.534 51.520 52.037 0.030 0.000 0.851 74 A CB 0.832 19.873 19.000 0.069 0.000 1.165 74 A HN 0.853 nan 8.150 nan 0.000 0.513 75 G N 1.219 110.052 108.800 0.057 0.000 2.365 75 G HA2 0.421 4.381 3.960 0.001 0.000 0.293 75 G HA3 0.421 4.381 3.960 0.001 0.000 0.293 75 G C 0.625 175.626 174.900 0.168 0.000 1.128 75 G CA 0.518 45.680 45.100 0.103 0.000 0.971 75 G HN 1.156 nan 8.290 nan 0.000 0.422 76 T N -0.206 114.439 114.554 0.152 0.000 3.111 76 T HA 0.384 4.735 4.350 0.001 0.000 0.284 76 T C 1.031 175.810 174.700 0.132 0.000 0.983 76 T CA 0.277 62.459 62.100 0.135 0.000 0.900 76 T CB 0.616 69.551 68.868 0.111 0.000 1.132 76 T HN 0.610 nan 8.240 nan 0.000 0.531 77 G N -0.398 108.506 108.800 0.172 0.000 2.547 77 G HA2 0.699 4.660 3.960 0.001 0.000 0.291 77 G HA3 0.699 4.660 3.960 0.001 0.000 0.291 77 G C 0.011 175.020 174.900 0.182 0.000 1.211 77 G CA -0.222 44.981 45.100 0.172 0.000 0.950 77 G HN 0.702 nan 8.290 nan 0.000 0.504 78 G N -0.902 107.964 108.800 0.110 0.000 2.578 78 G HA2 0.390 4.350 3.960 0.001 0.000 0.302 78 G HA3 0.390 4.350 3.960 0.001 0.000 0.302 78 G C -0.249 174.441 174.900 -0.351 0.000 1.243 78 G CA 0.114 45.231 45.100 0.028 0.000 0.843 78 G HN 0.877 nan 8.290 nan 0.000 0.486 79 N N -0.465 117.913 118.700 -0.537 0.000 2.234 79 N HA 0.517 5.257 4.740 0.001 0.000 0.227 79 N C -0.004 175.340 175.510 -0.277 0.000 1.151 79 N CA 0.390 53.097 53.050 -0.571 0.000 0.865 79 N CB 1.215 39.258 38.487 -0.741 0.000 1.066 79 N HN 0.804 nan 8.380 nan 0.000 0.515 80 A N -0.436 122.304 122.820 -0.134 0.000 2.340 80 A HA 0.552 4.872 4.320 0.001 0.000 0.297 80 A C 0.871 178.477 177.584 0.036 0.000 1.195 80 A CA -0.570 51.439 52.037 -0.046 0.000 0.769 80 A CB 0.739 19.720 19.000 -0.033 0.000 1.163 80 A HN 0.118 nan 8.150 nan 0.000 0.472 81 T N 0.992 115.602 114.554 0.092 0.000 2.665 81 T HA -0.219 4.131 4.350 0.001 0.000 0.268 81 T C 1.763 176.446 174.700 -0.028 0.000 1.035 81 T CA 2.576 64.727 62.100 0.084 0.000 1.151 81 T CB -0.426 68.493 68.868 0.085 0.000 0.862 81 T HN 0.867 nan 8.240 nan 0.000 0.438 82 H N 1.102 120.096 119.070 -0.126 0.000 2.319 82 H HA -0.065 4.492 4.556 0.001 0.000 0.299 82 H C 2.363 177.504 175.328 -0.311 0.000 1.092 82 H CA 2.181 58.090 56.048 -0.231 0.000 1.302 82 H CB -0.202 29.409 29.762 -0.251 0.000 1.373 82 H HN 0.528 nan 8.280 nan 0.000 0.497 83 E N -0.329 119.746 120.200 -0.209 0.000 2.077 83 E HA -0.174 4.177 4.350 0.001 0.000 0.193 83 E C 2.294 178.868 176.600 -0.044 0.000 0.989 83 E CA 0.922 57.201 56.400 -0.201 0.000 0.800 83 E CB -0.263 29.383 29.700 -0.092 0.000 0.746 83 E HN 0.559 nan 8.360 nan 0.000 0.452 84 A N 0.623 123.428 122.820 -0.026 0.000 1.908 84 A HA -0.145 4.175 4.320 0.001 0.000 0.218 84 A C 2.412 179.987 177.584 -0.016 0.000 1.181 84 A CA 1.509 53.549 52.037 0.006 0.000 0.627 84 A CB -0.707 18.271 19.000 -0.036 0.000 0.818 84 A HN 0.238 nan 8.150 nan 0.000 0.445 85 V N -0.387 119.470 119.914 -0.095 0.000 2.295 85 V HA -0.314 3.806 4.120 0.001 0.000 0.246 85 V C 2.313 178.454 176.094 0.079 0.000 1.049 85 V CA 2.306 64.573 62.300 -0.055 0.000 1.024 85 V CB -1.148 30.609 31.823 -0.110 0.000 0.648 85 V HN 0.726 nan 8.190 nan 0.000 0.447 86 H N -1.225 117.790 119.070 -0.092 0.000 2.321 86 H HA -0.178 4.379 4.556 0.001 0.000 0.300 86 H C 2.219 177.669 175.328 0.203 0.000 1.087 86 H CA 1.564 57.619 56.048 0.013 0.000 1.319 86 H CB 0.061 29.782 29.762 -0.069 0.000 1.379 86 H HN 0.263 nan 8.280 nan 0.000 0.501 87 L N 0.579 122.050 121.223 0.412 0.000 2.093 87 L HA -0.118 4.222 4.340 0.001 0.000 0.208 87 L C 2.212 179.189 176.870 0.179 0.000 1.085 87 L CA 1.628 56.628 54.840 0.266 0.000 0.755 87 L CB -0.563 41.599 42.059 0.172 0.000 0.904 87 L HN 0.133 nan 8.230 nan 0.000 0.435 88 T N -0.387 114.253 114.554 0.143 0.000 2.821 88 T HA -0.105 4.246 4.350 0.001 0.000 0.267 88 T C 1.912 176.674 174.700 0.104 0.000 1.046 88 T CA 1.146 63.310 62.100 0.106 0.000 1.139 88 T CB -0.398 68.510 68.868 0.067 0.000 0.871 88 T HN 0.486 nan 8.240 nan 0.000 0.454 89 A N 1.489 124.377 122.820 0.113 0.000 1.933 89 A HA -0.200 4.120 4.320 0.001 0.000 0.218 89 A C 2.156 179.790 177.584 0.084 0.000 1.175 89 A CA 1.734 53.821 52.037 0.083 0.000 0.628 89 A CB -0.901 18.144 19.000 0.075 0.000 0.814 89 A HN 0.668 nan 8.150 nan 0.000 0.444 90 H N 0.188 119.285 119.070 0.046 0.000 2.357 90 H HA -0.038 4.518 4.556 0.001 0.000 0.301 90 H C 2.214 177.554 175.328 0.021 0.000 1.082 90 H CA 1.707 57.773 56.048 0.029 0.000 1.342 90 H CB -0.287 29.490 29.762 0.025 0.000 1.389 90 H HN 0.385 nan 8.280 nan 0.000 0.511 91 A N 1.321 124.198 122.820 0.095 0.000 1.908 91 A HA -0.211 4.110 4.320 0.001 0.000 0.218 91 A C 2.464 180.026 177.584 -0.036 0.000 1.181 91 A CA 2.128 54.190 52.037 0.042 0.000 0.627 91 A CB -0.498 18.560 19.000 0.097 0.000 0.818 91 A HN 0.441 nan 8.150 nan 0.000 0.445 92 K N 0.305 120.698 120.400 -0.012 0.000 2.026 92 K HA -0.188 4.132 4.320 0.001 0.000 0.208 92 K C 1.896 178.461 176.600 -0.058 0.000 1.048 92 K CA 2.054 58.332 56.287 -0.015 0.000 0.929 92 K CB -0.350 32.155 32.500 0.008 0.000 0.713 92 K HN 0.364 nan 8.250 nan 0.000 0.439 93 E N 0.194 120.336 120.200 -0.096 0.000 2.070 93 E HA -0.144 4.206 4.350 0.001 0.000 0.197 93 E C 1.626 178.129 176.600 -0.162 0.000 1.004 93 E CA 1.913 58.238 56.400 -0.125 0.000 0.805 93 E CB -0.234 29.378 29.700 -0.146 0.000 0.744 93 E HN 0.259 nan 8.360 nan 0.000 0.451 94 V N -2.936 116.822 119.914 -0.261 0.000 3.573 94 V HA 0.359 4.480 4.120 0.001 0.000 0.270 94 V C 1.329 177.363 176.094 -0.099 0.000 1.221 94 V CA 0.714 62.894 62.300 -0.200 0.000 1.163 94 V CB -0.484 31.179 31.823 -0.267 0.000 0.847 94 V HN 0.385 nan 8.190 nan 0.000 0.468 95 G N -0.317 108.438 108.800 -0.075 0.000 2.140 95 G HA2 0.005 3.965 3.960 0.001 0.000 0.211 95 G HA3 0.005 3.965 3.960 0.001 0.000 0.211 95 G C 0.266 175.159 174.900 -0.012 0.000 1.013 95 G CA 0.112 45.190 45.100 -0.036 0.000 0.705 95 G HN 1.584 nan 8.290 nan 0.000 0.508 96 A N -0.463 122.355 122.820 -0.002 0.000 2.425 96 A HA 0.581 4.901 4.320 0.001 0.000 0.242 96 A C 1.026 178.642 177.584 0.052 0.000 1.077 96 A CA 0.922 52.976 52.037 0.029 0.000 0.781 96 A CB 0.333 19.357 19.000 0.040 0.000 1.020 96 A HN 0.300 nan 8.150 nan 0.000 0.494 97 D N 0.056 120.505 120.400 0.083 0.000 2.277 97 D HA 0.331 4.971 4.640 0.001 0.000 0.208 97 D C 0.841 177.283 176.300 0.238 0.000 0.962 97 D CA 1.792 55.867 54.000 0.126 0.000 0.865 97 D CB 0.265 41.149 40.800 0.141 0.000 0.939 97 D HN 0.784 nan 8.370 nan 0.000 0.510 98 G N -1.010 107.922 108.800 0.219 0.000 2.623 98 G HA2 0.632 4.592 3.960 0.001 0.000 0.290 98 G HA3 0.632 4.592 3.960 0.001 0.000 0.290 98 G C -1.894 173.042 174.900 0.059 0.000 1.437 98 G CA -0.408 44.835 45.100 0.239 0.000 0.798 98 G HN 0.104 nan 8.290 nan 0.000 0.488 99 A N -0.119 122.722 122.820 0.036 0.000 2.343 99 A HA 0.714 5.034 4.320 0.001 0.000 0.308 99 A C -1.150 176.436 177.584 0.003 0.000 1.092 99 A CA -0.563 51.492 52.037 0.029 0.000 0.751 99 A CB 1.662 20.707 19.000 0.074 0.000 1.203 99 A HN 1.421 nan 8.150 nan 0.000 0.452 100 L N 3.688 124.907 121.223 -0.006 0.000 2.260 100 L HA 0.624 4.964 4.340 0.001 0.000 0.289 100 L C -0.965 175.997 176.870 0.154 0.000 1.057 100 L CA -0.021 54.830 54.840 0.018 0.000 0.811 100 L CB 1.317 43.338 42.059 -0.063 0.000 1.184 100 L HN 0.396 nan 8.230 nan 0.000 0.429 101 V N 6.477 126.547 119.914 0.260 0.000 2.326 101 V HA 0.300 4.421 4.120 0.001 0.000 0.281 101 V C 0.123 176.516 176.094 0.499 0.000 1.015 101 V CA -0.721 61.788 62.300 0.349 0.000 0.823 101 V CB 1.457 33.500 31.823 0.367 0.000 1.009 101 V HN 0.586 nan 8.190 nan 0.000 0.436 102 V N 6.635 126.801 119.914 0.421 0.000 2.843 102 V HA 0.241 4.361 4.120 0.001 0.000 0.305 102 V C 0.527 176.820 176.094 0.332 0.000 1.065 102 V CA 0.233 62.766 62.300 0.387 0.000 1.116 102 V CB 1.833 33.848 31.823 0.320 0.000 0.968 102 V HN 0.625 nan 8.190 nan 0.000 0.487 103 V N 8.891 128.989 119.914 0.307 0.000 2.599 103 V HA 0.129 4.249 4.120 0.001 0.000 0.300 103 V C -1.957 174.150 176.094 0.021 0.000 1.034 103 V CA -0.910 61.553 62.300 0.272 0.000 1.115 103 V CB 0.640 32.578 31.823 0.192 0.000 0.934 103 V HN 0.906 nan 8.190 nan 0.000 0.485 104 P HA -0.012 nan 4.420 nan 0.000 0.259 104 P C -0.971 176.204 177.300 -0.208 0.000 1.163 104 P CA 0.583 63.446 63.100 -0.394 0.000 0.760 104 P CB -0.020 31.371 31.700 -0.515 0.000 0.762 105 Y N 2.240 122.531 120.300 -0.015 0.000 2.403 105 Y HA 0.408 4.958 4.550 -0.000 0.000 0.323 105 Y C 1.459 177.438 175.900 0.132 0.000 1.226 105 Y CA -1.175 56.951 58.100 0.042 0.000 1.235 105 Y CB 0.181 38.670 38.460 0.049 0.000 1.248 105 Y HN 0.480 nan 8.280 nan 0.000 0.489 106 Y N 1.307 121.712 120.300 0.176 0.000 2.818 106 Y HA -0.463 4.086 4.550 -0.001 0.000 0.487 106 Y C 1.237 177.151 175.900 0.023 0.000 1.146 106 Y CA 2.435 60.600 58.100 0.108 0.000 2.839 106 Y CB -1.626 36.943 38.460 0.181 0.000 0.893 106 Y HN 0.856 nan 8.280 nan 0.000 0.545 107 N N 1.463 120.087 118.700 -0.128 0.000 2.461 107 N HA 0.024 4.764 4.740 0.001 0.000 0.188 107 N C -0.163 175.247 175.510 -0.168 0.000 1.134 107 N CA 0.941 53.850 53.050 -0.236 0.000 0.878 107 N CB -0.399 37.998 38.487 -0.150 0.000 0.972 107 N HN 0.571 nan 8.380 nan 0.000 0.456 108 K N 0.305 120.635 120.400 -0.116 0.000 4.075 108 K HA -0.156 4.164 4.320 0.001 0.000 0.278 108 K C -2.118 174.442 176.600 -0.067 0.000 0.862 108 K CA 0.107 56.349 56.287 -0.075 0.000 0.762 108 K CB -1.248 31.210 32.500 -0.071 0.000 1.660 108 K HN 0.391 nan 8.250 nan 0.000 0.437 109 P HA -0.037 nan 4.420 nan 0.000 0.270 109 P C 0.388 177.681 177.300 -0.011 0.000 1.223 109 P CA -0.216 62.856 63.100 -0.047 0.000 0.785 109 P CB 0.538 32.199 31.700 -0.064 0.000 0.923 110 T N -1.046 113.510 114.554 0.004 0.000 2.766 110 T HA 0.041 4.392 4.350 0.001 0.000 0.295 110 T C 1.237 175.967 174.700 0.050 0.000 1.024 110 T CA -0.450 61.662 62.100 0.020 0.000 1.018 110 T CB 0.351 69.230 68.868 0.019 0.000 1.002 110 T HN 0.240 nan 8.240 nan 0.000 0.532 111 Q N 0.143 119.975 119.800 0.054 0.000 2.135 111 Q HA -0.133 4.207 4.340 0.001 0.000 0.204 111 Q C 2.356 178.433 176.000 0.128 0.000 0.981 111 Q CA 1.622 57.475 55.803 0.084 0.000 0.856 111 Q CB -0.564 28.208 28.738 0.056 0.000 0.902 111 Q HN 0.756 nan 8.270 nan 0.000 0.425 112 R N 0.437 120.998 120.500 0.101 0.000 2.096 112 R HA -0.086 4.254 4.340 0.001 0.000 0.235 112 R C 2.165 178.584 176.300 0.197 0.000 1.127 112 R CA 1.823 58.010 56.100 0.144 0.000 0.968 112 R CB -1.026 29.326 30.300 0.087 0.000 0.861 112 R HN 0.315 nan 8.270 nan 0.000 0.440 113 G N 0.258 109.133 108.800 0.125 0.000 2.402 113 G HA2 -0.181 3.780 3.960 0.001 0.000 0.216 113 G HA3 -0.181 3.780 3.960 0.001 0.000 0.216 113 G C 1.436 176.420 174.900 0.140 0.000 1.162 113 G CA 0.828 45.989 45.100 0.101 0.000 0.777 113 G HN 0.320 nan 8.290 nan 0.000 0.539 114 L N -0.888 120.439 121.223 0.174 0.000 2.056 114 L HA -0.059 4.282 4.340 0.001 0.000 0.207 114 L C 2.576 179.690 176.870 0.406 0.000 1.078 114 L CA 1.239 56.244 54.840 0.274 0.000 0.749 114 L CB -0.555 41.672 42.059 0.279 0.000 0.901 114 L HN 0.308 nan 8.230 nan 0.000 0.433 115 Y N 1.368 121.794 120.300 0.209 0.000 2.097 115 Y HA -0.284 4.266 4.550 0.000 0.000 0.282 115 Y C 2.479 178.484 175.900 0.175 0.000 1.152 115 Y CA 1.804 60.015 58.100 0.185 0.000 1.136 115 Y CB -0.300 38.224 38.460 0.106 0.000 0.975 115 Y HN 0.158 nan 8.280 nan 0.000 0.498 116 E N -1.275 118.930 120.200 0.009 0.000 2.153 116 E HA -0.281 4.069 4.350 0.001 0.000 0.194 116 E C 1.996 178.547 176.600 -0.082 0.000 0.988 116 E CA 1.258 57.583 56.400 -0.125 0.000 0.811 116 E CB -0.359 29.363 29.700 0.037 0.000 0.746 116 E HN 0.665 nan 8.360 nan 0.000 0.466 117 H N 0.008 119.023 119.070 -0.092 0.000 2.270 117 H HA -0.151 4.406 4.556 0.001 0.000 0.299 117 H C 1.676 176.863 175.328 -0.236 0.000 1.077 117 H CA 1.903 57.837 56.048 -0.190 0.000 1.294 117 H CB -0.265 29.330 29.762 -0.279 0.000 1.371 117 H HN 0.056 nan 8.280 nan 0.000 0.491 118 F N 0.863 120.769 119.950 -0.074 0.000 2.186 118 F HA -0.041 4.487 4.527 0.001 0.000 0.299 118 F C 2.714 178.416 175.800 -0.164 0.000 1.090 118 F CA 1.402 59.334 58.000 -0.113 0.000 1.307 118 F CB -0.319 38.700 39.000 0.031 0.000 1.019 118 F HN 0.169 nan 8.300 nan 0.000 0.489 119 K N 0.078 120.431 120.400 -0.079 0.000 2.032 119 K HA -0.179 4.141 4.320 0.001 0.000 0.209 119 K C 1.964 178.481 176.600 -0.138 0.000 1.048 119 K CA 2.024 58.196 56.287 -0.191 0.000 0.927 119 K CB -0.405 31.789 32.500 -0.510 0.000 0.712 119 K HN 0.179 nan 8.250 nan 0.000 0.441 120 T N 0.972 115.427 114.554 -0.164 0.000 2.652 120 T HA -0.136 4.215 4.350 0.001 0.000 0.267 120 T C 1.931 176.562 174.700 -0.114 0.000 1.039 120 T CA 1.638 63.661 62.100 -0.128 0.000 1.153 120 T CB -0.247 68.540 68.868 -0.134 0.000 0.863 120 T HN 0.018 nan 8.240 nan 0.000 0.428 121 V N 1.739 121.550 119.914 -0.172 0.000 2.295 121 V HA -0.181 3.939 4.120 0.001 0.000 0.246 121 V C 2.912 178.983 176.094 -0.038 0.000 1.049 121 V CA 1.759 63.982 62.300 -0.127 0.000 1.024 121 V CB -1.297 30.406 31.823 -0.199 0.000 0.648 121 V HN 0.546 nan 8.190 nan 0.000 0.447 122 A N -0.735 122.080 122.820 -0.008 0.000 1.908 122 A HA -0.294 4.027 4.320 0.001 0.000 0.218 122 A C 2.169 179.760 177.584 0.012 0.000 1.181 122 A CA 2.028 54.083 52.037 0.029 0.000 0.627 122 A CB -0.502 18.531 19.000 0.055 0.000 0.818 122 A HN 0.649 nan 8.150 nan 0.000 0.445 123 Q N -1.045 118.749 119.800 -0.010 0.000 2.230 123 Q HA -0.096 4.244 4.340 0.001 0.000 0.202 123 Q C 1.689 177.688 176.000 -0.001 0.000 0.963 123 Q CA 0.998 56.797 55.803 -0.006 0.000 0.866 123 Q CB -0.013 28.714 28.738 -0.018 0.000 0.931 123 Q HN 0.599 nan 8.270 nan 0.000 0.452 124 E N 0.048 120.245 120.200 -0.005 0.000 2.122 124 E HA 0.006 4.356 4.350 0.001 0.000 0.190 124 E C 0.133 176.741 176.600 0.014 0.000 0.977 124 E CA 0.509 56.912 56.400 0.005 0.000 0.820 124 E CB 0.606 30.306 29.700 0.001 0.000 0.770 124 E HN 0.026 nan 8.360 nan 0.000 0.462 125 V N 2.454 122.378 119.914 0.016 0.000 2.407 125 V HA 0.113 4.234 4.120 0.001 0.000 0.291 125 V C -0.458 175.653 176.094 0.029 0.000 1.018 125 V CA -0.922 61.393 62.300 0.025 0.000 0.842 125 V CB 1.570 33.413 31.823 0.033 0.000 0.996 125 V HN -0.082 nan 8.190 nan 0.000 0.426 126 D N 4.902 125.316 120.400 0.024 0.000 2.600 126 D HA 0.291 4.932 4.640 0.001 0.000 0.226 126 D C -0.424 175.895 176.300 0.032 0.000 1.119 126 D CA 0.438 54.454 54.000 0.025 0.000 1.051 126 D CB -0.048 40.762 40.800 0.017 0.000 1.106 126 D HN 0.553 nan 8.370 nan 0.000 0.491 127 I N 1.273 121.872 120.570 0.047 0.000 2.769 127 I HA 0.440 4.610 4.170 0.001 0.000 0.298 127 I C -2.574 173.598 176.117 0.092 0.000 1.128 127 I CA -2.975 58.363 61.300 0.063 0.000 1.031 127 I CB 2.382 40.422 38.000 0.066 0.000 1.235 127 I HN -0.040 nan 8.210 nan 0.000 0.423 128 P HA 0.255 nan 4.420 nan 0.000 0.267 128 P C -1.101 176.331 177.300 0.219 0.000 1.205 128 P CA 0.408 63.617 63.100 0.182 0.000 0.765 128 P CB 0.300 32.131 31.700 0.219 0.000 0.828 129 I N 4.399 125.077 120.570 0.180 0.000 2.441 129 I HA 0.394 4.565 4.170 0.001 0.000 0.295 129 I C 0.138 176.320 176.117 0.108 0.000 0.994 129 I CA -0.741 60.645 61.300 0.143 0.000 1.144 129 I CB 1.499 39.594 38.000 0.158 0.000 1.314 129 I HN 0.105 nan 8.210 nan 0.000 0.445 130 I N 6.713 127.303 120.570 0.033 0.000 2.355 130 I HA 0.384 4.554 4.170 0.001 0.000 0.288 130 I C -0.045 176.117 176.117 0.076 0.000 0.999 130 I CA -0.546 60.736 61.300 -0.030 0.000 1.163 130 I CB 1.458 39.325 38.000 -0.222 0.000 1.316 130 I HN 0.368 nan 8.210 nan 0.000 0.454 131 I N 5.987 126.603 120.570 0.075 0.000 2.634 131 I HA 0.004 4.174 4.170 0.001 0.000 0.284 131 I C -0.659 175.587 176.117 0.214 0.000 1.124 131 I CA -0.036 61.311 61.300 0.079 0.000 1.417 131 I CB 0.468 38.370 38.000 -0.164 0.000 1.396 131 I HN 0.466 nan 8.210 nan 0.000 0.571 132 Y N 6.803 127.186 120.300 0.138 0.000 2.388 132 Y HA 0.381 4.931 4.550 0.001 0.000 0.328 132 Y C -0.648 175.335 175.900 0.138 0.000 0.963 132 Y CA -1.821 56.350 58.100 0.118 0.000 1.240 132 Y CB 0.780 39.317 38.460 0.128 0.000 1.118 132 Y HN 0.533 nan 8.280 nan 0.000 0.484 133 N N 6.241 125.043 118.700 0.171 0.000 2.425 133 N HA 0.425 5.165 4.740 0.001 0.000 0.268 133 N C -1.385 174.070 175.510 -0.092 0.000 0.991 133 N CA -0.256 52.796 53.050 0.002 0.000 0.931 133 N CB 0.628 39.152 38.487 0.062 0.000 1.130 133 N HN 0.731 nan 8.380 nan 0.000 0.493 134 I N 5.251 125.693 120.570 -0.214 0.000 2.769 134 I HA 0.352 4.522 4.170 0.001 0.000 0.272 134 I C -2.233 173.832 176.117 -0.088 0.000 1.408 134 I CA -1.904 59.300 61.300 -0.160 0.000 0.925 134 I CB 1.608 39.429 38.000 -0.298 0.000 1.407 134 I HN 0.490 nan 8.210 nan 0.000 0.550 135 P HA -0.175 nan 4.420 nan 0.000 0.217 135 P C 1.631 178.931 177.300 0.002 0.000 1.148 135 P CA 1.662 64.759 63.100 -0.006 0.000 0.828 135 P CB 0.132 31.833 31.700 0.003 0.000 0.783 136 S N -1.435 114.264 115.700 -0.002 0.000 2.469 136 S HA -0.072 4.398 4.470 0.001 0.000 0.238 136 S C 1.842 176.450 174.600 0.013 0.000 0.998 136 S CA 0.815 59.020 58.200 0.008 0.000 0.957 136 S CB -0.581 62.623 63.200 0.007 0.000 0.764 136 S HN 0.166 nan 8.310 nan 0.000 0.514 137 R N 0.290 120.791 120.500 0.003 0.000 2.194 137 R HA 0.118 4.458 4.340 0.001 0.000 0.194 137 R C 2.517 178.837 176.300 0.032 0.000 0.985 137 R CA 1.144 57.247 56.100 0.005 0.000 1.104 137 R CB -0.414 29.876 30.300 -0.017 0.000 1.092 137 R HN 0.645 nan 8.270 nan 0.000 0.555 138 T N -2.370 112.208 114.554 0.039 0.000 3.043 138 T HA -0.038 4.312 4.350 0.001 0.000 0.263 138 T C 1.235 175.995 174.700 0.100 0.000 1.094 138 T CA 0.521 62.689 62.100 0.113 0.000 1.127 138 T CB -0.262 68.653 68.868 0.078 0.000 0.905 138 T HN 0.299 nan 8.240 nan 0.000 0.490 139 C N 0.717 120.052 119.300 0.059 0.000 4.456 139 C HA -0.003 4.458 4.460 0.001 0.000 0.288 139 C C 0.168 175.177 174.990 0.031 0.000 1.374 139 C CA 0.430 59.476 59.018 0.047 0.000 1.956 139 C CB -2.691 25.090 27.740 0.068 0.000 1.255 139 C HN 0.781 nan 8.230 nan 0.000 0.788 140 V N -0.552 119.378 119.914 0.027 0.000 3.225 140 V HA 0.730 4.850 4.120 0.001 0.000 0.293 140 V C -1.175 174.933 176.094 0.024 0.000 1.405 140 V CA -0.179 62.133 62.300 0.020 0.000 1.038 140 V CB 2.238 34.070 31.823 0.014 0.000 1.123 140 V HN 0.379 nan 8.190 nan 0.000 0.447 141 E N 3.520 123.736 120.200 0.026 0.000 2.272 141 E HA 0.506 4.857 4.350 0.001 0.000 0.269 141 E C -1.276 175.350 176.600 0.043 0.000 0.877 141 E CA -0.742 55.677 56.400 0.030 0.000 0.755 141 E CB 2.114 31.826 29.700 0.020 0.000 1.192 141 E HN 0.794 nan 8.360 nan 0.000 0.422 142 I N 4.263 124.865 120.570 0.054 0.000 2.452 142 I HA 0.119 4.289 4.170 0.001 0.000 0.287 142 I C 0.164 176.302 176.117 0.036 0.000 1.079 142 I CA -0.048 61.289 61.300 0.062 0.000 1.387 142 I CB 0.586 38.622 38.000 0.059 0.000 1.404 142 I HN 0.645 nan 8.210 nan 0.000 0.522 143 S N 5.623 121.345 115.700 0.036 0.000 2.584 143 S HA 0.093 4.563 4.470 0.001 0.000 0.270 143 S C 1.127 175.735 174.600 0.014 0.000 1.346 143 S CA -0.759 57.454 58.200 0.021 0.000 1.018 143 S CB 1.671 64.882 63.200 0.019 0.000 0.899 143 S HN 0.548 nan 8.310 nan 0.000 0.542 144 V N 1.513 121.428 119.914 0.001 0.000 2.490 144 V HA -0.122 3.998 4.120 0.001 0.000 0.250 144 V C 2.165 178.268 176.094 0.015 0.000 1.061 144 V CA 2.006 64.300 62.300 -0.009 0.000 1.064 144 V CB -1.016 30.789 31.823 -0.029 0.000 0.670 144 V HN 0.839 nan 8.190 nan 0.000 0.461 145 D N 0.169 120.576 120.400 0.012 0.000 2.117 145 D HA -0.135 4.505 4.640 0.001 0.000 0.197 145 D C 2.318 178.671 176.300 0.087 0.000 0.987 145 D CA 1.911 55.935 54.000 0.040 0.000 0.829 145 D CB -0.329 40.475 40.800 0.007 0.000 0.961 145 D HN 0.394 nan 8.370 nan 0.000 0.460 146 T N 0.699 115.289 114.554 0.060 0.000 2.777 146 T HA -0.086 4.264 4.350 0.001 0.000 0.266 146 T C 2.155 176.903 174.700 0.079 0.000 1.040 146 T CA 0.891 63.041 62.100 0.082 0.000 1.141 146 T CB -0.110 68.819 68.868 0.101 0.000 0.868 146 T HN 0.141 nan 8.240 nan 0.000 0.444 147 M N 0.110 119.725 119.600 0.025 0.000 2.117 147 M HA -0.006 4.475 4.480 0.001 0.000 0.262 147 M C 2.072 178.331 176.300 -0.069 0.000 1.065 147 M CA 1.584 56.852 55.300 -0.055 0.000 1.114 147 M CB -0.518 32.017 32.600 -0.107 0.000 1.361 147 M HN 0.200 nan 8.290 nan 0.000 0.408 148 F N 1.385 121.244 119.950 -0.151 0.000 2.069 148 F HA -0.245 4.282 4.527 0.000 0.000 0.298 148 F C 2.447 178.204 175.800 -0.071 0.000 1.113 148 F CA 1.935 59.849 58.000 -0.144 0.000 1.214 148 F CB -0.355 38.580 39.000 -0.109 0.000 0.978 148 F HN -0.031 nan 8.300 nan 0.000 0.474 149 K N -0.156 120.227 120.400 -0.029 0.000 2.032 149 K HA -0.203 4.118 4.320 0.001 0.000 0.209 149 K C 2.086 178.682 176.600 -0.007 0.000 1.048 149 K CA 1.635 57.876 56.287 -0.077 0.000 0.927 149 K CB -0.442 32.048 32.500 -0.016 0.000 0.712 149 K HN 0.281 nan 8.250 nan 0.000 0.441 150 L N 0.956 122.228 121.223 0.081 0.000 2.017 150 L HA -0.081 4.260 4.340 0.001 0.000 0.208 150 L C 2.358 179.233 176.870 0.007 0.000 1.073 150 L CA 2.071 56.976 54.840 0.109 0.000 0.745 150 L CB -0.987 41.127 42.059 0.091 0.000 0.894 150 L HN 0.282 nan 8.230 nan 0.000 0.432 151 A N -2.192 120.579 122.820 -0.081 0.000 2.015 151 A HA -0.130 4.190 4.320 0.001 0.000 0.219 151 A C 2.420 179.928 177.584 -0.126 0.000 1.163 151 A CA 1.712 53.707 52.037 -0.069 0.000 0.646 151 A CB -0.544 18.346 19.000 -0.184 0.000 0.806 151 A HN 0.455 nan 8.150 nan 0.000 0.448 152 S N -0.360 115.177 115.700 -0.271 0.000 2.387 152 S HA -0.093 4.377 4.470 0.001 0.000 0.226 152 S C 1.740 176.265 174.600 -0.126 0.000 1.026 152 S CA 1.360 59.384 58.200 -0.293 0.000 0.972 152 S CB -0.136 62.743 63.200 -0.534 0.000 0.814 152 S HN 0.736 nan 8.310 nan 0.000 0.477 153 E N -0.432 119.732 120.200 -0.059 0.000 2.216 153 E HA 0.075 4.426 4.350 0.001 0.000 0.192 153 E C -0.174 176.435 176.600 0.015 0.000 0.973 153 E CA 0.306 56.709 56.400 0.005 0.000 0.851 153 E CB 0.246 29.993 29.700 0.078 0.000 0.804 153 E HN 0.311 nan 8.360 nan 0.000 0.477 154 C N 1.812 121.125 119.300 0.021 0.000 2.239 154 C HA 0.199 4.659 4.460 0.001 0.000 0.323 154 C C 1.472 176.487 174.990 0.041 0.000 1.205 154 C CA -0.796 58.241 59.018 0.032 0.000 1.584 154 C CB 0.472 28.238 27.740 0.044 0.000 2.201 154 C HN 0.441 nan 8.230 nan 0.000 0.475 155 E N 2.661 122.881 120.200 0.033 0.000 2.204 155 E HA -0.189 4.162 4.350 0.001 0.000 0.195 155 E C 1.683 178.314 176.600 0.051 0.000 0.990 155 E CA 1.334 57.756 56.400 0.037 0.000 0.821 155 E CB 0.190 29.904 29.700 0.023 0.000 0.750 155 E HN 0.836 nan 8.360 nan 0.000 0.477 156 N N 0.447 119.180 118.700 0.056 0.000 2.398 156 N HA -0.052 4.689 4.740 0.001 0.000 0.188 156 N C 0.385 175.955 175.510 0.101 0.000 1.122 156 N CA 0.241 53.332 53.050 0.068 0.000 0.866 156 N CB 0.003 38.527 38.487 0.061 0.000 0.970 156 N HN 0.145 nan 8.380 nan 0.000 0.462 157 I N 2.283 122.923 120.570 0.117 0.000 2.269 157 I HA 0.017 4.187 4.170 0.001 0.000 0.293 157 I C 1.083 177.326 176.117 0.212 0.000 1.106 157 I CA -0.458 60.937 61.300 0.159 0.000 1.248 157 I CB 1.134 39.226 38.000 0.154 0.000 1.444 157 I HN -0.063 nan 8.210 nan 0.000 0.497 158 V N 2.746 122.732 119.914 0.120 0.000 3.605 158 V HA 0.636 4.756 4.120 0.001 0.000 0.284 158 V C 0.590 176.367 176.094 -0.528 0.000 1.386 158 V CA 0.282 62.573 62.300 -0.015 0.000 1.053 158 V CB 0.099 31.925 31.823 0.004 0.000 0.857 158 V HN 0.593 nan 8.190 nan 0.000 0.436 159 A N -0.344 122.149 122.820 -0.545 0.000 2.588 159 A HA 0.873 5.193 4.320 0.001 0.000 0.290 159 A C -0.738 176.620 177.584 -0.377 0.000 1.136 159 A CA 0.055 51.587 52.037 -0.842 0.000 0.681 159 A CB 1.573 20.412 19.000 -0.269 0.000 1.282 159 A HN 0.659 nan 8.150 nan 0.000 0.421 160 S N -0.329 115.252 115.700 -0.199 0.000 2.614 160 S HA 0.500 4.970 4.470 0.001 0.000 0.275 160 S C -1.221 173.415 174.600 0.060 0.000 1.161 160 S CA -0.519 57.729 58.200 0.079 0.000 0.969 160 S CB 1.089 64.472 63.200 0.305 0.000 1.059 160 S HN 0.788 nan 8.310 nan 0.000 0.482 161 K N 3.363 123.815 120.400 0.088 0.000 2.262 161 K HA 0.276 4.597 4.320 0.001 0.000 0.282 161 K C -0.816 175.907 176.600 0.205 0.000 1.066 161 K CA -0.337 55.998 56.287 0.079 0.000 0.901 161 K CB 0.436 32.908 32.500 -0.047 0.000 1.089 161 K HN 0.520 nan 8.250 nan 0.000 0.476 162 E N 2.818 123.101 120.200 0.138 0.000 2.063 162 E HA 0.121 4.471 4.350 0.001 0.000 0.265 162 E C -0.998 175.672 176.600 0.115 0.000 0.919 162 E CA -0.278 56.203 56.400 0.134 0.000 0.756 162 E CB 1.695 31.452 29.700 0.095 0.000 1.120 162 E HN 0.407 nan 8.360 nan 0.000 0.414 163 S N 2.205 117.996 115.700 0.152 0.000 3.489 163 S HA 0.212 4.682 4.470 0.001 0.000 0.227 163 S C 0.119 174.746 174.600 0.044 0.000 1.360 163 S CA -0.216 58.047 58.200 0.105 0.000 0.934 163 S CB 0.332 63.639 63.200 0.180 0.000 1.410 163 S HN 0.377 nan 8.310 nan 0.000 0.483 164 T N 2.049 116.618 114.554 0.025 0.000 2.909 164 T HA 0.522 4.872 4.350 0.001 0.000 0.299 164 T C -2.472 172.226 174.700 -0.003 0.000 1.073 164 T CA -1.833 60.273 62.100 0.011 0.000 0.999 164 T CB 1.848 70.728 68.868 0.021 0.000 1.098 164 T HN 0.100 nan 8.240 nan 0.000 0.477 165 P HA 0.193 nan 4.420 nan 0.000 0.261 165 P C -0.082 177.217 177.300 -0.002 0.000 1.268 165 P CA -0.146 62.947 63.100 -0.011 0.000 0.833 165 P CB 0.104 31.796 31.700 -0.013 0.000 1.231 166 N N 1.268 119.969 118.700 0.002 0.000 2.521 166 N HA 0.123 4.863 4.740 0.001 0.000 0.236 166 N C 1.175 176.687 175.510 0.004 0.000 1.067 166 N CA -0.116 52.935 53.050 0.003 0.000 0.939 166 N CB 0.279 38.769 38.487 0.004 0.000 1.201 166 N HN -0.212 nan 8.380 nan 0.000 0.511 167 M N 0.941 120.541 119.600 -0.000 0.000 2.279 167 M HA -0.113 4.368 4.480 0.001 0.000 0.264 167 M C 1.109 177.408 176.300 -0.001 0.000 1.062 167 M CA 0.963 56.262 55.300 -0.002 0.000 1.099 167 M CB -0.709 31.886 32.600 -0.009 0.000 1.394 167 M HN 0.462 nan 8.290 nan 0.000 0.426 168 D N 0.276 120.674 120.400 -0.003 0.000 2.178 168 D HA -0.155 4.486 4.640 0.001 0.000 0.201 168 D C 2.125 178.424 176.300 -0.003 0.000 0.980 168 D CA 0.997 54.994 54.000 -0.005 0.000 0.842 168 D CB -0.012 40.783 40.800 -0.008 0.000 0.948 168 D HN 0.312 nan 8.370 nan 0.000 0.472 169 R N 0.020 120.522 120.500 0.003 0.000 2.092 169 R HA -0.096 4.245 4.340 0.001 0.000 0.231 169 R C 1.995 178.305 176.300 0.017 0.000 1.119 169 R CA 0.872 56.977 56.100 0.007 0.000 0.970 169 R CB -0.125 30.183 30.300 0.013 0.000 0.864 169 R HN 0.159 nan 8.270 nan 0.000 0.440 170 I N 0.864 121.447 120.570 0.022 0.000 2.179 170 I HA -0.203 3.967 4.170 0.001 0.000 0.242 170 I C 2.213 178.348 176.117 0.030 0.000 1.088 170 I CA 1.282 62.603 61.300 0.035 0.000 1.357 170 I CB -1.294 36.724 38.000 0.030 0.000 1.051 170 I HN 0.155 nan 8.210 nan 0.000 0.409 171 S N 0.166 115.873 115.700 0.013 0.000 2.359 171 S HA -0.221 4.249 4.470 0.001 0.000 0.224 171 S C 1.964 176.565 174.600 0.001 0.000 1.035 171 S CA 1.323 59.526 58.200 0.006 0.000 1.018 171 S CB -0.240 62.956 63.200 -0.006 0.000 0.876 171 S HN 0.463 nan 8.310 nan 0.000 0.448 172 E N 0.527 120.722 120.200 -0.007 0.000 2.077 172 E HA -0.125 4.225 4.350 0.001 0.000 0.193 172 E C 1.967 178.554 176.600 -0.021 0.000 0.989 172 E CA 0.965 57.351 56.400 -0.024 0.000 0.800 172 E CB -0.139 29.543 29.700 -0.031 0.000 0.746 172 E HN 0.480 nan 8.360 nan 0.000 0.452 173 I N 0.209 120.780 120.570 0.002 0.000 2.202 173 I HA -0.259 3.911 4.170 0.001 0.000 0.242 173 I C 2.397 178.536 176.117 0.037 0.000 1.091 173 I CA 0.672 61.977 61.300 0.007 0.000 1.368 173 I CB -0.190 37.844 38.000 0.057 0.000 1.058 173 I HN 0.027 nan 8.210 nan 0.000 0.410 174 V N 1.099 121.052 119.914 0.064 0.000 2.287 174 V HA -0.331 3.790 4.120 0.001 0.000 0.248 174 V C 2.533 178.658 176.094 0.053 0.000 1.053 174 V CA 2.109 64.458 62.300 0.082 0.000 1.027 174 V CB -0.712 31.153 31.823 0.069 0.000 0.646 174 V HN 0.427 nan 8.190 nan 0.000 0.447 175 K N -0.056 120.356 120.400 0.021 0.000 2.025 175 K HA -0.164 4.156 4.320 0.001 0.000 0.207 175 K C 2.406 179.000 176.600 -0.012 0.000 1.049 175 K CA 1.487 57.775 56.287 0.002 0.000 0.933 175 K CB -0.091 32.398 32.500 -0.019 0.000 0.714 175 K HN 0.353 nan 8.250 nan 0.000 0.438 176 R N -0.113 120.363 120.500 -0.040 0.000 2.075 176 R HA 0.022 4.362 4.340 0.001 0.000 0.226 176 R C 0.498 176.833 176.300 0.058 0.000 1.114 176 R CA 0.342 56.390 56.100 -0.086 0.000 0.972 176 R CB -0.170 30.013 30.300 -0.195 0.000 0.869 176 R HN 0.057 nan 8.270 nan 0.000 0.437 177 L N -0.053 121.206 121.223 0.060 0.000 2.439 177 L HA 0.239 4.579 4.340 0.001 0.000 0.259 177 L C 1.119 178.054 176.870 0.109 0.000 1.129 177 L CA 0.131 55.010 54.840 0.065 0.000 0.803 177 L CB 0.439 42.328 42.059 -0.283 0.000 1.161 177 L HN 0.092 nan 8.230 nan 0.000 0.462 178 G N -0.002 108.873 108.800 0.125 0.000 2.720 178 G HA2 0.017 3.977 3.960 0.001 0.000 0.237 178 G HA3 0.017 3.977 3.960 0.001 0.000 0.237 178 G C 0.563 175.557 174.900 0.158 0.000 1.239 178 G CA -0.291 44.892 45.100 0.138 0.000 0.847 178 G HN 0.824 nan 8.290 nan 0.000 0.593 179 E N 0.235 120.504 120.200 0.114 0.000 2.204 179 E HA -0.115 4.235 4.350 0.001 0.000 0.194 179 E C 2.523 179.187 176.600 0.107 0.000 0.989 179 E CA 0.966 57.426 56.400 0.100 0.000 0.824 179 E CB 0.018 29.759 29.700 0.068 0.000 0.756 179 E HN 0.399 nan 8.360 nan 0.000 0.477 180 S N 0.301 116.067 115.700 0.111 0.000 2.368 180 S HA -0.110 4.360 4.470 0.001 0.000 0.224 180 S C 0.588 175.262 174.600 0.122 0.000 1.029 180 S CA 0.192 58.447 58.200 0.092 0.000 0.988 180 S CB -0.222 63.026 63.200 0.081 0.000 0.838 180 S HN 0.195 nan 8.310 nan 0.000 0.462 181 F N 2.373 122.345 119.950 0.036 0.000 2.628 181 F HA 0.260 4.787 4.527 0.000 0.000 0.362 181 F C 0.439 176.272 175.800 0.054 0.000 1.148 181 F CA 0.298 58.326 58.000 0.046 0.000 1.352 181 F CB 0.515 39.546 39.000 0.051 0.000 1.081 181 F HN -0.001 nan 8.300 nan 0.000 0.605 182 S N 4.802 120.200 115.700 -0.504 0.000 2.478 182 S HA 0.648 5.119 4.470 0.001 0.000 0.312 182 S C -1.344 173.111 174.600 -0.242 0.000 1.094 182 S CA -0.747 57.311 58.200 -0.237 0.000 1.081 182 S CB 0.948 64.059 63.200 -0.149 0.000 1.007 182 S HN 0.467 nan 8.310 nan 0.000 0.475 183 V N 6.737 126.655 119.914 0.007 0.000 2.370 183 V HA 0.473 4.593 4.120 0.001 0.000 0.279 183 V C -0.327 175.786 176.094 0.031 0.000 1.029 183 V CA -0.514 61.827 62.300 0.068 0.000 0.870 183 V CB 1.046 32.953 31.823 0.141 0.000 0.984 183 V HN 0.800 nan 8.190 nan 0.000 0.451 184 L N 3.864 125.095 121.223 0.013 0.000 2.322 184 L HA 0.492 4.832 4.340 0.001 0.000 0.281 184 L C 0.564 177.441 176.870 0.012 0.000 1.014 184 L CA -0.257 54.584 54.840 0.002 0.000 0.815 184 L CB 1.988 44.026 42.059 -0.034 0.000 1.247 184 L HN 0.656 nan 8.230 nan 0.000 0.421 185 S N 1.446 117.150 115.700 0.008 0.000 2.549 185 S HA 0.200 4.671 4.470 0.001 0.000 0.283 185 S C 1.000 175.594 174.600 -0.010 0.000 1.320 185 S CA 0.054 58.255 58.200 0.002 0.000 1.058 185 S CB 0.934 64.127 63.200 -0.012 0.000 0.882 185 S HN 0.809 nan 8.310 nan 0.000 0.498 186 G N 2.876 111.682 108.800 0.010 0.000 3.277 186 G HA2 0.260 4.220 3.960 0.001 0.000 0.243 186 G HA3 0.260 4.220 3.960 0.001 0.000 0.243 186 G C -0.482 174.417 174.900 -0.001 0.000 1.107 186 G CA -0.318 44.799 45.100 0.028 0.000 0.771 186 G HN 0.705 nan 8.290 nan 0.000 0.544 187 D N 0.154 120.517 120.400 -0.062 0.000 2.736 187 D HA 0.124 4.765 4.640 0.001 0.000 0.243 187 D C -0.202 175.965 176.300 -0.223 0.000 1.304 187 D CA -0.499 53.410 54.000 -0.151 0.000 0.934 187 D CB 2.042 42.736 40.800 -0.177 0.000 1.382 187 D HN -0.157 nan 8.370 nan 0.000 0.571 188 D N 0.606 120.816 120.400 -0.317 0.000 2.149 188 D HA -0.175 4.465 4.640 0.001 0.000 0.194 188 D C 1.678 177.460 176.300 -0.863 0.000 1.001 188 D CA 1.261 54.869 54.000 -0.652 0.000 0.849 188 D CB 0.253 40.505 40.800 -0.914 0.000 0.939 188 D HN 0.244 nan 8.370 nan 0.000 0.449 189 S N -0.443 114.889 115.700 -0.612 0.000 2.474 189 S HA -0.037 4.433 4.470 0.001 0.000 0.235 189 S C 1.793 176.391 174.600 -0.004 0.000 0.997 189 S CA 0.416 58.485 58.200 -0.219 0.000 0.949 189 S CB 0.029 63.180 63.200 -0.082 0.000 0.766 189 S HN 0.203 nan 8.310 nan 0.000 0.517 190 L N 0.301 121.469 121.223 -0.093 0.000 2.693 190 L HA 0.176 4.516 4.340 0.001 0.000 0.235 190 L C 2.066 178.916 176.870 -0.033 0.000 1.127 190 L CA 0.100 54.916 54.840 -0.040 0.000 0.914 190 L CB -0.310 41.721 42.059 -0.047 0.000 1.193 190 L HN 0.172 nan 8.230 nan 0.000 0.502 191 T N 1.021 115.548 114.554 -0.046 0.000 2.684 191 T HA -0.251 4.099 4.350 0.001 0.000 0.267 191 T C 1.899 176.627 174.700 0.048 0.000 1.036 191 T CA 1.698 63.796 62.100 -0.003 0.000 1.148 191 T CB -0.126 68.737 68.868 -0.007 0.000 0.863 191 T HN 0.265 nan 8.240 nan 0.000 0.436 192 L N 1.921 123.170 121.223 0.043 0.000 1.970 192 L HA -0.062 4.278 4.340 0.001 0.000 0.212 192 L C -0.440 176.471 176.870 0.068 0.000 1.071 192 L CA 1.538 56.428 54.840 0.084 0.000 0.751 192 L CB -1.019 40.985 42.059 -0.092 0.000 0.889 192 L HN 0.187 nan 8.230 nan 0.000 0.432 193 P HA -0.210 nan 4.420 nan 0.000 0.217 193 P C 1.806 179.089 177.300 -0.027 0.000 1.150 193 P CA 1.827 64.890 63.100 -0.062 0.000 0.832 193 P CB -0.121 31.541 31.700 -0.063 0.000 0.787 194 M N -1.475 118.129 119.600 0.005 0.000 2.117 194 M HA -0.087 4.393 4.480 0.001 0.000 0.262 194 M C 2.476 178.808 176.300 0.053 0.000 1.065 194 M CA 1.833 57.146 55.300 0.022 0.000 1.114 194 M CB -0.646 31.969 32.600 0.025 0.000 1.361 194 M HN -0.093 nan 8.290 nan 0.000 0.408 195 M N -0.520 119.141 119.600 0.103 0.000 2.254 195 M HA -0.079 4.402 4.480 0.001 0.000 0.265 195 M C 2.347 178.782 176.300 0.225 0.000 1.066 195 M CA 1.250 56.654 55.300 0.172 0.000 1.123 195 M CB -0.465 32.261 32.600 0.210 0.000 1.388 195 M HN 0.315 nan 8.290 nan 0.000 0.425 196 A N 0.064 122.944 122.820 0.101 0.000 2.019 196 A HA -0.113 4.207 4.320 0.001 0.000 0.219 196 A C 1.912 179.429 177.584 -0.111 0.000 1.164 196 A CA 1.232 53.113 52.037 -0.261 0.000 0.644 196 A CB -0.443 18.165 19.000 -0.654 0.000 0.805 196 A HN 0.370 nan 8.150 nan 0.000 0.449 197 L N -1.927 119.273 121.223 -0.039 0.000 2.509 197 L HA 0.258 4.598 4.340 0.001 0.000 0.222 197 L C 1.675 178.561 176.870 0.026 0.000 1.123 197 L CA 1.423 56.254 54.840 -0.015 0.000 0.856 197 L CB -0.023 42.031 42.059 -0.010 0.000 0.985 197 L HN 0.621 nan 8.230 nan 0.000 0.456 198 G N -2.300 106.534 108.800 0.058 0.000 2.273 198 G HA2 -0.088 3.872 3.960 0.001 0.000 0.162 198 G HA3 -0.088 3.872 3.960 0.001 0.000 0.162 198 G C 0.523 175.470 174.900 0.079 0.000 1.006 198 G CA -0.119 45.024 45.100 0.072 0.000 0.704 198 G HN 0.569 nan 8.290 nan 0.000 0.487 199 A N 0.430 123.297 122.820 0.078 0.000 2.466 199 A HA 0.586 4.907 4.320 0.001 0.000 0.238 199 A C 1.346 178.970 177.584 0.066 0.000 1.074 199 A CA 0.730 52.809 52.037 0.071 0.000 0.774 199 A CB 0.412 19.450 19.000 0.062 0.000 1.015 199 A HN 0.150 nan 8.150 nan 0.000 0.498 200 K N 0.831 121.261 120.400 0.049 0.000 2.393 200 K HA 0.269 4.590 4.320 0.001 0.000 0.193 200 K C 0.846 177.466 176.600 0.034 0.000 1.026 200 K CA 0.947 57.258 56.287 0.040 0.000 1.064 200 K CB 0.210 32.727 32.500 0.029 0.000 0.833 200 K HN 1.050 nan 8.250 nan 0.000 0.521 201 G N -0.177 108.643 108.800 0.033 0.000 2.360 201 G HA2 0.255 4.215 3.960 0.001 0.000 0.276 201 G HA3 0.255 4.215 3.960 0.001 0.000 0.276 201 G C -1.857 173.052 174.900 0.015 0.000 1.256 201 G CA -0.192 44.923 45.100 0.025 0.000 0.890 201 G HN -0.039 nan 8.290 nan 0.000 0.486 202 V N -0.146 119.770 119.914 0.004 0.000 3.012 202 V HA 0.720 4.840 4.120 0.001 0.000 0.307 202 V C -1.191 174.883 176.094 -0.033 0.000 1.166 202 V CA -0.906 61.385 62.300 -0.015 0.000 0.974 202 V CB 1.878 33.692 31.823 -0.015 0.000 1.040 202 V HN 0.765 nan 8.190 nan 0.000 0.428 203 I N 5.394 125.928 120.570 -0.059 0.000 2.347 203 I HA 0.376 4.547 4.170 0.001 0.000 0.283 203 I C 0.370 176.451 176.117 -0.061 0.000 1.058 203 I CA 0.070 61.316 61.300 -0.089 0.000 1.202 203 I CB 1.404 39.309 38.000 -0.159 0.000 1.386 203 I HN 0.681 nan 8.210 nan 0.000 0.475 204 S N 4.210 119.891 115.700 -0.032 0.000 2.646 204 S HA 0.442 4.912 4.470 0.001 0.000 0.276 204 S C 0.752 175.370 174.600 0.031 0.000 1.222 204 S CA -0.531 57.672 58.200 0.005 0.000 1.014 204 S CB 1.945 65.162 63.200 0.028 0.000 0.991 204 S HN 0.336 nan 8.310 nan 0.000 0.533 205 V N 2.987 122.948 119.914 0.078 0.000 2.788 205 V HA 0.179 4.299 4.120 0.001 0.000 0.241 205 V C 2.608 178.753 176.094 0.084 0.000 1.083 205 V CA 1.268 63.612 62.300 0.073 0.000 1.103 205 V CB -0.929 30.951 31.823 0.095 0.000 0.800 205 V HN 0.961 nan 8.190 nan 0.000 0.476 206 A N 0.416 123.321 122.820 0.142 0.000 2.024 206 A HA -0.236 4.084 4.320 0.001 0.000 0.220 206 A C 1.954 179.627 177.584 0.148 0.000 1.164 206 A CA 1.858 54.001 52.037 0.177 0.000 0.643 206 A CB -0.701 18.524 19.000 0.374 0.000 0.806 206 A HN 0.540 nan 8.150 nan 0.000 0.451 207 N N 0.569 119.357 118.700 0.147 0.000 2.258 207 N HA -0.165 4.575 4.740 0.001 0.000 0.187 207 N C 1.259 176.936 175.510 0.278 0.000 1.012 207 N CA 1.528 54.681 53.050 0.173 0.000 0.870 207 N CB -0.584 37.978 38.487 0.126 0.000 0.977 207 N HN 0.662 nan 8.380 nan 0.000 0.434 208 N N -0.710 118.127 118.700 0.229 0.000 2.289 208 N HA -0.111 4.630 4.740 0.001 0.000 0.184 208 N C 1.567 177.218 175.510 0.236 0.000 1.016 208 N CA 1.254 54.469 53.050 0.276 0.000 0.872 208 N CB 0.247 38.809 38.487 0.125 0.000 0.973 208 N HN 0.240 nan 8.380 nan 0.000 0.433 209 V N -4.435 115.573 119.914 0.158 0.000 3.484 209 V HA 0.355 4.476 4.120 0.001 0.000 0.252 209 V C 0.609 176.778 176.094 0.124 0.000 1.282 209 V CA 0.230 62.590 62.300 0.101 0.000 1.104 209 V CB 0.225 32.054 31.823 0.010 0.000 0.868 209 V HN 0.050 nan 8.190 nan 0.000 0.457 210 M N 1.018 120.674 119.600 0.094 0.000 2.952 210 M HA 0.403 4.883 4.480 0.001 0.000 0.259 210 M C -2.239 174.097 176.300 0.060 0.000 1.306 210 M CA -1.228 54.102 55.300 0.050 0.000 0.626 210 M CB 1.773 34.338 32.600 -0.057 0.000 1.423 210 M HN 0.071 nan 8.290 nan 0.000 0.459 211 P HA -0.137 nan 4.420 nan 0.000 0.216 211 P C 1.103 178.399 177.300 -0.008 0.000 1.153 211 P CA 1.565 64.673 63.100 0.013 0.000 0.858 211 P CB 0.092 31.695 31.700 -0.162 0.000 0.789 212 R N -0.404 120.077 120.500 -0.033 0.000 2.066 212 R HA -0.122 4.218 4.340 0.001 0.000 0.232 212 R C 2.213 178.523 176.300 0.017 0.000 1.131 212 R CA 1.325 57.413 56.100 -0.020 0.000 0.955 212 R CB -0.723 29.561 30.300 -0.028 0.000 0.851 212 R HN 0.201 nan 8.270 nan 0.000 0.432 213 E N 0.397 120.620 120.200 0.038 0.000 2.077 213 E HA -0.124 4.227 4.350 0.001 0.000 0.193 213 E C 2.053 178.701 176.600 0.081 0.000 0.989 213 E CA 1.003 57.443 56.400 0.066 0.000 0.800 213 E CB -0.277 29.475 29.700 0.087 0.000 0.746 213 E HN 0.048 nan 8.360 nan 0.000 0.452 214 V N 1.149 121.118 119.914 0.090 0.000 2.358 214 V HA -0.211 3.909 4.120 0.001 0.000 0.246 214 V C 2.281 178.428 176.094 0.089 0.000 1.047 214 V CA 1.412 63.790 62.300 0.130 0.000 1.035 214 V CB -0.419 31.491 31.823 0.146 0.000 0.658 214 V HN 0.157 nan 8.190 nan 0.000 0.452 215 K N 0.272 120.706 120.400 0.055 0.000 2.103 215 K HA -0.208 4.112 4.320 0.001 0.000 0.207 215 K C 2.140 178.754 176.600 0.024 0.000 1.048 215 K CA 1.605 57.911 56.287 0.032 0.000 0.930 215 K CB -0.288 32.219 32.500 0.012 0.000 0.716 215 K HN 0.600 nan 8.250 nan 0.000 0.444 216 E N 0.029 120.247 120.200 0.029 0.000 2.077 216 E HA -0.187 4.163 4.350 0.001 0.000 0.193 216 E C 1.990 178.604 176.600 0.023 0.000 0.989 216 E CA 0.869 57.280 56.400 0.019 0.000 0.800 216 E CB -0.065 29.650 29.700 0.024 0.000 0.746 216 E HN 0.109 nan 8.360 nan 0.000 0.452 217 L N 1.096 122.354 121.223 0.058 0.000 2.017 217 L HA -0.203 4.138 4.340 0.001 0.000 0.208 217 L C 2.030 178.912 176.870 0.020 0.000 1.073 217 L CA 1.513 56.394 54.840 0.069 0.000 0.745 217 L CB -0.433 41.719 42.059 0.154 0.000 0.894 217 L HN 0.162 nan 8.230 nan 0.000 0.432 218 I N -0.153 120.433 120.570 0.028 0.000 2.179 218 I HA -0.275 3.895 4.170 0.001 0.000 0.242 218 I C 2.723 178.821 176.117 -0.032 0.000 1.088 218 I CA 1.567 62.870 61.300 0.004 0.000 1.357 218 I CB -1.410 36.601 38.000 0.018 0.000 1.051 218 I HN 0.440 nan 8.210 nan 0.000 0.409 219 R N 1.111 121.594 120.500 -0.028 0.000 2.083 219 R HA -0.167 4.173 4.340 0.001 0.000 0.237 219 R C 2.380 178.632 176.300 -0.080 0.000 1.137 219 R CA 1.848 57.923 56.100 -0.042 0.000 0.951 219 R CB -0.180 30.103 30.300 -0.029 0.000 0.851 219 R HN 0.322 nan 8.270 nan 0.000 0.434 220 A N 0.632 123.394 122.820 -0.097 0.000 1.902 220 A HA -0.119 4.201 4.320 0.001 0.000 0.217 220 A C 2.361 179.757 177.584 -0.314 0.000 1.181 220 A CA 1.763 53.706 52.037 -0.157 0.000 0.623 220 A CB -0.812 18.112 19.000 -0.127 0.000 0.818 220 A HN 0.564 nan 8.150 nan 0.000 0.443 221 A N -0.863 121.745 122.820 -0.353 0.000 1.873 221 A HA 0.003 4.323 4.320 0.001 0.000 0.215 221 A C 1.997 179.391 177.584 -0.317 0.000 1.186 221 A CA 1.663 53.350 52.037 -0.584 0.000 0.616 221 A CB -0.535 18.305 19.000 -0.266 0.000 0.823 221 A HN 0.406 nan 8.150 nan 0.000 0.442 222 L N -0.047 121.091 121.223 -0.141 0.000 2.201 222 L HA -0.062 4.278 4.340 0.001 0.000 0.212 222 L C 2.828 179.664 176.870 -0.057 0.000 1.105 222 L CA 2.234 57.041 54.840 -0.056 0.000 0.775 222 L CB -1.107 40.934 42.059 -0.030 0.000 0.913 222 L HN 0.619 nan 8.230 nan 0.000 0.440 223 E N -1.162 118.980 120.200 -0.097 0.000 2.435 223 E HA 0.288 4.638 4.350 0.001 0.000 0.195 223 E C 1.723 178.285 176.600 -0.064 0.000 1.029 223 E CA 0.852 57.211 56.400 -0.068 0.000 0.865 223 E CB -0.685 28.973 29.700 -0.069 0.000 0.833 223 E HN 0.562 nan 8.360 nan 0.000 0.510 224 G N 0.612 109.336 108.800 -0.127 0.000 2.157 224 G HA2 -0.240 3.720 3.960 0.001 0.000 0.248 224 G HA3 -0.240 3.720 3.960 0.001 0.000 0.248 224 G C 0.276 175.136 174.900 -0.065 0.000 0.979 224 G CA 0.327 45.407 45.100 -0.033 0.000 0.650 224 G HN 0.526 nan 8.290 nan 0.000 0.529 225 D N -0.024 120.253 120.400 -0.205 0.000 2.522 225 D HA 0.475 5.115 4.640 0.001 0.000 0.218 225 D C 1.065 177.239 176.300 -0.210 0.000 1.149 225 D CA -0.923 53.006 54.000 -0.118 0.000 0.981 225 D CB -0.555 40.195 40.800 -0.084 0.000 1.041 225 D HN 0.126 nan 8.370 nan 0.000 0.518 226 F N 1.187 121.155 119.950 0.031 0.000 2.661 226 F HA 0.088 4.615 4.527 0.000 0.000 0.298 226 F C 2.458 178.289 175.800 0.052 0.000 1.137 226 F CA 0.176 58.197 58.000 0.035 0.000 1.454 226 F CB 0.006 39.021 39.000 0.024 0.000 1.103 226 F HN 0.302 nan 8.300 nan 0.000 0.577 227 R N 0.573 121.171 120.500 0.162 0.000 2.075 227 R HA -0.170 4.170 4.340 0.001 0.000 0.232 227 R C 2.371 178.735 176.300 0.106 0.000 1.126 227 R CA 1.395 57.572 56.100 0.130 0.000 0.963 227 R CB -0.130 30.224 30.300 0.090 0.000 0.858 227 R HN 0.081 nan 8.270 nan 0.000 0.435 228 R N 0.733 121.266 120.500 0.055 0.000 2.093 228 R HA 0.089 4.430 4.340 0.001 0.000 0.224 228 R C 1.998 178.328 176.300 0.050 0.000 1.101 228 R CA 1.701 57.824 56.100 0.037 0.000 0.979 228 R CB -0.744 29.554 30.300 -0.004 0.000 0.877 228 R HN 0.317 nan 8.270 nan 0.000 0.441 229 A N 0.836 123.662 122.820 0.009 0.000 1.908 229 A HA -0.157 4.164 4.320 0.001 0.000 0.218 229 A C 2.207 179.881 177.584 0.150 0.000 1.181 229 A CA 1.605 53.658 52.037 0.027 0.000 0.627 229 A CB -0.487 18.448 19.000 -0.107 0.000 0.818 229 A HN 0.364 nan 8.150 nan 0.000 0.445 230 R N -0.809 119.810 120.500 0.198 0.000 2.081 230 R HA -0.163 4.177 4.340 0.001 0.000 0.235 230 R C 2.330 178.842 176.300 0.353 0.000 1.131 230 R CA 1.524 57.794 56.100 0.284 0.000 0.960 230 R CB -0.327 30.182 30.300 0.348 0.000 0.856 230 R HN 0.821 nan 8.270 nan 0.000 0.436 231 E N 0.988 121.341 120.200 0.256 0.000 2.058 231 E HA -0.218 4.132 4.350 0.001 0.000 0.194 231 E C 1.883 178.625 176.600 0.237 0.000 0.997 231 E CA 1.413 57.949 56.400 0.227 0.000 0.801 231 E CB -0.059 29.716 29.700 0.124 0.000 0.746 231 E HN 0.310 nan 8.360 nan 0.000 0.450 232 I N -0.026 120.660 120.570 0.194 0.000 2.286 232 I HA -0.214 3.956 4.170 0.001 0.000 0.245 232 I C 2.555 178.806 176.117 0.224 0.000 1.104 232 I CA 1.313 62.735 61.300 0.204 0.000 1.397 232 I CB -0.496 37.593 38.000 0.148 0.000 1.072 232 I HN 0.269 nan 8.210 nan 0.000 0.417 233 H N 0.891 120.024 119.070 0.104 0.000 2.265 233 H HA -0.266 4.290 4.556 0.000 0.000 0.295 233 H C 2.052 177.352 175.328 -0.046 0.000 1.084 233 H CA 2.229 58.296 56.048 0.031 0.000 1.261 233 H CB -0.381 29.309 29.762 -0.120 0.000 1.360 233 H HN 0.244 nan 8.280 nan 0.000 0.487 234 Y N -1.131 119.271 120.300 0.169 0.000 2.352 234 Y HA -0.160 4.390 4.550 0.000 0.000 0.292 234 Y C 2.342 178.305 175.900 0.104 0.000 1.136 234 Y CA 1.217 59.362 58.100 0.075 0.000 1.227 234 Y CB -0.729 37.809 38.460 0.129 0.000 0.991 234 Y HN 0.380 nan 8.280 nan 0.000 0.545 235 Y N 0.108 120.490 120.300 0.137 0.000 2.200 235 Y HA -0.135 4.415 4.550 0.001 0.000 0.290 235 Y C 1.661 177.641 175.900 0.135 0.000 1.137 235 Y CA 1.453 59.630 58.100 0.128 0.000 1.163 235 Y CB -0.473 38.056 38.460 0.115 0.000 0.988 235 Y HN 0.029 nan 8.280 nan 0.000 0.518 236 L N -0.354 120.744 121.223 -0.208 0.000 2.591 236 L HA -0.033 4.307 4.340 0.001 0.000 0.228 236 L C 2.095 178.495 176.870 -0.784 0.000 1.133 236 L CA 0.707 55.152 54.840 -0.659 0.000 0.880 236 L CB -0.674 40.792 42.059 -0.987 0.000 1.033 236 L HN 0.291 nan 8.230 nan 0.000 0.450 237 H N 1.167 119.951 119.070 -0.478 0.000 2.289 237 H HA -0.257 4.299 4.556 0.001 0.000 0.294 237 H C 1.743 177.027 175.328 -0.073 0.000 1.095 237 H CA 2.394 58.291 56.048 -0.251 0.000 1.256 237 H CB 0.134 29.848 29.762 -0.080 0.000 1.359 237 H HN 0.230 nan 8.280 nan 0.000 0.487 238 D N 0.264 120.643 120.400 -0.034 0.000 2.149 238 D HA -0.161 4.479 4.640 0.001 0.000 0.198 238 D C 2.489 178.793 176.300 0.007 0.000 0.990 238 D CA 0.968 54.965 54.000 -0.004 0.000 0.839 238 D CB -0.412 40.430 40.800 0.070 0.000 0.948 238 D HN 0.399 nan 8.370 nan 0.000 0.460 239 L N -0.156 121.042 121.223 -0.041 0.000 2.027 239 L HA -0.181 4.159 4.340 0.001 0.000 0.206 239 L C 2.164 179.041 176.870 0.012 0.000 1.074 239 L CA 1.207 55.959 54.840 -0.146 0.000 0.745 239 L CB -0.270 41.432 42.059 -0.596 0.000 0.898 239 L HN -0.066 nan 8.230 nan 0.000 0.433 240 F N 0.772 120.671 119.950 -0.085 0.000 2.091 240 F HA -0.284 4.243 4.527 0.001 0.000 0.299 240 F C 2.713 178.550 175.800 0.061 0.000 1.103 240 F CA 1.561 59.557 58.000 -0.007 0.000 1.228 240 F CB -1.042 37.914 39.000 -0.074 0.000 0.984 240 F HN 0.124 nan 8.300 nan 0.000 0.477 241 K N 0.257 120.716 120.400 0.099 0.000 2.025 241 K HA -0.113 4.207 4.320 0.001 0.000 0.207 241 K C 2.270 178.952 176.600 0.136 0.000 1.049 241 K CA 1.126 57.452 56.287 0.066 0.000 0.933 241 K CB -0.520 31.916 32.500 -0.107 0.000 0.714 241 K HN 0.124 nan 8.250 nan 0.000 0.438 242 V N 1.420 121.385 119.914 0.085 0.000 2.594 242 V HA -0.184 3.937 4.120 0.001 0.000 0.253 242 V C 1.812 177.936 176.094 0.050 0.000 1.069 242 V CA 1.221 63.562 62.300 0.069 0.000 1.082 242 V CB -0.229 31.626 31.823 0.055 0.000 0.680 242 V HN 0.288 nan 8.190 nan 0.000 0.469 243 L N -0.683 120.570 121.223 0.050 0.000 2.549 243 L HA 0.071 4.411 4.340 0.001 0.000 0.229 243 L C 1.083 177.675 176.870 -0.463 0.000 1.158 243 L CA 1.620 56.368 54.840 -0.154 0.000 0.842 243 L CB -0.827 41.145 42.059 -0.144 0.000 0.952 243 L HN 0.383 nan 8.230 nan 0.000 0.452 244 F N -2.656 117.313 119.950 0.031 0.000 2.791 244 F HA 0.257 4.784 4.527 0.000 0.000 0.316 244 F C 1.672 177.482 175.800 0.017 0.000 1.134 244 F CA -0.207 57.807 58.000 0.023 0.000 1.222 244 F CB -0.087 38.925 39.000 0.020 0.000 1.034 244 F HN -0.137 nan 8.300 nan 0.000 0.516 245 I N -0.068 120.562 120.570 0.100 0.000 2.493 245 I HA -0.099 4.071 4.170 0.001 0.000 0.254 245 I C 0.536 176.680 176.117 0.046 0.000 1.160 245 I CA 1.561 62.904 61.300 0.072 0.000 1.445 245 I CB 0.135 38.162 38.000 0.044 0.000 1.086 245 I HN 0.099 nan 8.210 nan 0.000 0.433 246 E N -0.440 119.772 120.200 0.020 0.000 2.416 246 E HA 0.248 4.598 4.350 0.001 0.000 0.273 246 E C -0.618 175.979 176.600 -0.004 0.000 0.935 246 E CA -0.784 55.613 56.400 -0.006 0.000 0.784 246 E CB 1.634 31.304 29.700 -0.050 0.000 1.301 246 E HN -0.106 nan 8.360 nan 0.000 0.454 247 T N 2.124 116.677 114.554 -0.003 0.000 2.849 247 T HA -0.088 4.262 4.350 0.001 0.000 0.289 247 T C 0.358 175.044 174.700 -0.024 0.000 1.010 247 T CA 0.494 62.606 62.100 0.019 0.000 1.161 247 T CB -0.205 68.662 68.868 -0.001 0.000 0.989 247 T HN 0.367 nan 8.240 nan 0.000 0.523 248 N N 4.647 123.345 118.700 -0.003 0.000 2.492 248 N HA 0.015 4.755 4.740 0.001 0.000 0.260 248 N C -1.620 173.892 175.510 0.004 0.000 1.215 248 N CA -1.470 51.523 53.050 -0.095 0.000 0.923 248 N CB 0.943 39.385 38.487 -0.075 0.000 1.092 248 N HN 0.325 nan 8.380 nan 0.000 0.448 249 P HA 0.146 nan 4.420 nan 0.000 0.258 249 P C 1.279 178.648 177.300 0.115 0.000 1.416 249 P CA 0.011 63.122 63.100 0.018 0.000 0.927 249 P CB 0.147 31.877 31.700 0.051 0.000 1.444 250 I N 1.182 121.777 120.570 0.042 0.000 2.118 250 I HA -0.191 3.979 4.170 0.001 0.000 0.241 250 I C -0.539 175.637 176.117 0.099 0.000 1.070 250 I CA 1.929 63.227 61.300 -0.003 0.000 1.327 250 I CB -1.993 35.846 38.000 -0.268 0.000 1.034 250 I HN 0.070 nan 8.210 nan 0.000 0.405 251 P HA -0.144 nan 4.420 nan 0.000 0.215 251 P C 2.025 179.330 177.300 0.009 0.000 1.157 251 P CA 1.114 64.205 63.100 -0.015 0.000 0.863 251 P CB 0.034 31.672 31.700 -0.104 0.000 0.787 252 V N 0.438 120.322 119.914 -0.049 0.000 2.407 252 V HA -0.252 3.868 4.120 0.001 0.000 0.248 252 V C 2.377 178.480 176.094 0.014 0.000 1.055 252 V CA 2.088 64.368 62.300 -0.034 0.000 1.049 252 V CB -0.855 30.922 31.823 -0.077 0.000 0.662 252 V HN 0.043 nan 8.190 nan 0.000 0.455 253 K N -0.911 119.519 120.400 0.050 0.000 2.097 253 K HA -0.152 4.168 4.320 0.001 0.000 0.205 253 K C 2.025 178.660 176.600 0.058 0.000 1.050 253 K CA 1.965 58.240 56.287 -0.019 0.000 0.938 253 K CB -0.331 32.062 32.500 -0.180 0.000 0.718 253 K HN 0.538 nan 8.250 nan 0.000 0.442 254 T N 0.754 115.425 114.554 0.195 0.000 2.788 254 T HA -0.111 4.239 4.350 0.001 0.000 0.268 254 T C 1.843 176.716 174.700 0.289 0.000 1.044 254 T CA 1.275 63.543 62.100 0.280 0.000 1.139 254 T CB -0.274 68.750 68.868 0.261 0.000 0.867 254 T HN 0.430 nan 8.240 nan 0.000 0.454 255 A N 0.599 123.505 122.820 0.144 0.000 1.902 255 A HA -0.118 4.202 4.320 0.001 0.000 0.217 255 A C 2.686 180.283 177.584 0.021 0.000 1.181 255 A CA 1.453 53.533 52.037 0.071 0.000 0.623 255 A CB -1.287 17.727 19.000 0.024 0.000 0.818 255 A HN 0.626 nan 8.150 nan 0.000 0.443 256 C N -2.570 116.737 119.300 0.011 0.000 2.422 256 C HA -0.128 4.332 4.460 0.001 0.000 0.279 256 C C 2.331 177.302 174.990 -0.031 0.000 1.305 256 C CA 0.597 59.581 59.018 -0.056 0.000 1.757 256 C CB -1.610 26.086 27.740 -0.074 0.000 1.962 256 C HN 0.893 nan 8.230 nan 0.000 0.499 257 W N 1.314 122.546 121.300 -0.113 0.000 2.379 257 W HA -0.121 4.540 4.660 0.001 0.000 0.307 257 W C 2.207 178.681 176.519 -0.074 0.000 1.200 257 W CA 1.350 58.636 57.345 -0.100 0.000 1.297 257 W CB -0.575 28.835 29.460 -0.083 0.000 1.140 257 W HN 0.214 nan 8.180 nan 0.000 0.507 258 M N 0.315 119.685 119.600 -0.384 0.000 2.213 258 M HA -0.184 4.297 4.480 0.001 0.000 0.263 258 M C 1.834 177.875 176.300 -0.431 0.000 1.062 258 M CA 1.496 56.413 55.300 -0.638 0.000 1.105 258 M CB -0.668 31.767 32.600 -0.275 0.000 1.385 258 M HN 0.015 nan 8.290 nan 0.000 0.417 259 L N -0.277 120.780 121.223 -0.276 0.000 2.599 259 L HA 0.135 4.476 4.340 0.001 0.000 0.230 259 L C 1.148 177.870 176.870 -0.246 0.000 1.141 259 L CA 0.058 54.761 54.840 -0.229 0.000 0.877 259 L CB -0.718 41.222 42.059 -0.199 0.000 1.009 259 L HN 0.603 nan 8.230 nan 0.000 0.447 260 G N 0.290 108.916 108.800 -0.290 0.000 2.221 260 G HA2 -0.326 3.634 3.960 0.001 0.000 0.265 260 G HA3 -0.326 3.634 3.960 0.001 0.000 0.265 260 G C 0.580 175.377 174.900 -0.172 0.000 1.041 260 G CA 0.506 45.469 45.100 -0.228 0.000 0.807 260 G HN 0.406 nan 8.290 nan 0.000 0.502 261 M N -0.886 118.608 119.600 -0.176 0.000 2.382 261 M HA 0.323 4.804 4.480 0.001 0.000 0.247 261 M C 1.155 177.386 176.300 -0.115 0.000 1.104 261 M CA 0.908 56.098 55.300 -0.182 0.000 1.030 261 M CB 0.442 32.876 32.600 -0.277 0.000 1.424 261 M HN 0.889 nan 8.290 nan 0.000 0.486 262 C N -2.847 116.422 119.300 -0.052 0.000 3.253 262 C HA 0.473 4.934 4.460 0.001 0.000 0.342 262 C C -0.816 174.224 174.990 0.083 0.000 1.306 262 C CA -1.503 57.495 59.018 -0.033 0.000 1.207 262 C CB 1.068 28.744 27.740 -0.107 0.000 1.479 262 C HN 0.129 nan 8.230 nan 0.000 0.469 263 E N 0.676 120.894 120.200 0.030 0.000 2.392 263 E HA 0.180 4.530 4.350 0.001 0.000 0.256 263 E C -0.334 176.224 176.600 -0.070 0.000 1.145 263 E CA -0.096 56.339 56.400 0.058 0.000 0.929 263 E CB 0.637 30.333 29.700 -0.006 0.000 0.998 263 E HN 0.693 nan 8.360 nan 0.000 0.442 264 K N 2.012 122.246 120.400 -0.276 0.000 2.222 264 K HA 0.069 4.389 4.320 0.001 0.000 0.243 264 K C -0.554 175.843 176.600 -0.338 0.000 1.160 264 K CA 0.160 56.106 56.287 -0.567 0.000 1.090 264 K CB -0.038 31.718 32.500 -1.240 0.000 1.694 264 K HN 0.360 nan 8.250 nan 0.000 0.361 265 E N 3.093 123.096 120.200 -0.329 0.000 2.278 265 E HA 0.269 4.620 4.350 0.001 0.000 0.272 265 E C -1.399 175.094 176.600 -0.179 0.000 0.890 265 E CA -0.657 55.651 56.400 -0.153 0.000 0.770 265 E CB 0.775 30.451 29.700 -0.039 0.000 1.212 265 E HN 0.190 nan 8.360 nan 0.000 0.415 266 F N 1.456 121.448 119.950 0.070 0.000 2.613 266 F HA 0.588 5.116 4.527 0.001 0.000 0.342 266 F C 0.442 176.247 175.800 0.008 0.000 1.066 266 F CA -0.932 57.148 58.000 0.133 0.000 1.002 266 F CB 1.422 40.444 39.000 0.037 0.000 1.319 266 F HN 0.205 nan 8.300 nan 0.000 0.495 267 R N 1.076 121.701 120.500 0.209 0.000 2.387 267 R HA 0.515 4.855 4.340 0.001 0.000 0.314 267 R C -1.027 175.289 176.300 0.025 0.000 0.958 267 R CA -0.844 55.234 56.100 -0.037 0.000 0.846 267 R CB 1.450 31.623 30.300 -0.212 0.000 1.147 267 R HN 0.518 nan 8.270 nan 0.000 0.447 268 L N 4.660 125.872 121.223 -0.019 0.000 2.506 268 L HA 0.022 4.362 4.340 0.001 0.000 0.281 268 L C -0.697 176.158 176.870 -0.025 0.000 1.228 268 L CA -0.827 53.998 54.840 -0.025 0.000 0.850 268 L CB 0.327 42.364 42.059 -0.038 0.000 1.110 268 L HN 0.482 nan 8.230 nan 0.000 0.496 269 P HA -0.005 nan 4.420 nan 0.000 0.242 269 P C 0.164 177.427 177.300 -0.061 0.000 1.197 269 P CA 0.553 63.627 63.100 -0.044 0.000 0.765 269 P CB 0.223 31.894 31.700 -0.047 0.000 0.936 270 L N 0.581 121.777 121.223 -0.046 0.000 2.417 270 L HA 0.257 4.597 4.340 0.001 0.000 0.268 270 L C 1.068 177.817 176.870 -0.201 0.000 1.158 270 L CA 0.179 54.944 54.840 -0.126 0.000 0.819 270 L CB 0.729 42.761 42.059 -0.046 0.000 1.112 270 L HN 0.058 nan 8.230 nan 0.000 0.458 271 T N -1.618 112.699 114.554 -0.395 0.000 2.865 271 T HA 0.399 4.749 4.350 0.001 0.000 0.294 271 T C -0.470 173.868 174.700 -0.604 0.000 1.119 271 T CA -1.117 60.768 62.100 -0.359 0.000 1.007 271 T CB 1.591 70.337 68.868 -0.202 0.000 1.225 271 T HN 0.492 nan 8.240 nan 0.000 0.515 272 E N 0.754 120.760 120.200 -0.324 0.000 2.408 272 E HA 0.242 4.592 4.350 0.001 0.000 0.259 272 E C 0.101 176.570 176.600 -0.219 0.000 1.110 272 E CA -0.265 55.993 56.400 -0.235 0.000 0.929 272 E CB 0.422 30.068 29.700 -0.089 0.000 0.971 272 E HN 0.501 nan 8.360 nan 0.000 0.438 273 M N 1.191 120.701 119.600 -0.150 0.000 2.207 273 M HA 0.022 4.503 4.480 0.001 0.000 0.311 273 M C 0.563 176.823 176.300 -0.067 0.000 1.127 273 M CA -0.093 55.146 55.300 -0.101 0.000 1.181 273 M CB 0.402 32.977 32.600 -0.042 0.000 1.409 273 M HN 0.497 nan 8.290 nan 0.000 0.461 274 S N 1.579 117.249 115.700 -0.050 0.000 2.572 274 S HA 0.149 4.620 4.470 0.001 0.000 0.279 274 S C -1.668 172.924 174.600 -0.015 0.000 1.341 274 S CA -1.164 57.016 58.200 -0.033 0.000 1.043 274 S CB 0.187 63.372 63.200 -0.024 0.000 0.887 274 S HN 0.560 nan 8.310 nan 0.000 0.516 275 P HA -0.182 nan 4.420 nan 0.000 0.217 275 P C 0.905 178.215 177.300 0.017 0.000 1.148 275 P CA 1.446 64.551 63.100 0.007 0.000 0.828 275 P CB 0.074 31.778 31.700 0.006 0.000 0.783 276 E N -0.744 119.462 120.200 0.011 0.000 2.152 276 E HA -0.096 4.254 4.350 0.001 0.000 0.192 276 E C 2.015 178.626 176.600 0.019 0.000 0.983 276 E CA 0.604 57.013 56.400 0.015 0.000 0.818 276 E CB -0.319 29.387 29.700 0.011 0.000 0.758 276 E HN 0.230 nan 8.360 nan 0.000 0.467 277 N N 0.827 119.536 118.700 0.015 0.000 2.270 277 N HA -0.150 4.590 4.740 0.001 0.000 0.181 277 N C 1.617 177.146 175.510 0.031 0.000 1.016 277 N CA 0.776 53.837 53.050 0.018 0.000 0.870 277 N CB -0.001 38.490 38.487 0.007 0.000 0.979 277 N HN 0.251 nan 8.380 nan 0.000 0.431 278 E N 0.639 120.861 120.200 0.037 0.000 2.150 278 E HA -0.097 4.253 4.350 0.001 0.000 0.193 278 E C 1.193 177.838 176.600 0.074 0.000 0.985 278 E CA 0.865 57.305 56.400 0.067 0.000 0.814 278 E CB 0.121 29.867 29.700 0.077 0.000 0.752 278 E HN 0.166 nan 8.360 nan 0.000 0.466 279 N N 0.690 119.424 118.700 0.055 0.000 2.142 279 N HA -0.116 4.625 4.740 0.001 0.000 0.186 279 N C 1.433 176.968 175.510 0.042 0.000 1.023 279 N CA 1.074 54.154 53.050 0.049 0.000 0.852 279 N CB -0.051 38.458 38.487 0.037 0.000 0.998 279 N HN 0.118 nan 8.380 nan 0.000 0.424 280 K N 0.188 120.611 120.400 0.038 0.000 2.026 280 K HA -0.088 4.232 4.320 0.001 0.000 0.208 280 K C 1.826 178.451 176.600 0.041 0.000 1.048 280 K CA 0.693 57.001 56.287 0.034 0.000 0.929 280 K CB -0.298 32.222 32.500 0.032 0.000 0.713 280 K HN 0.041 nan 8.250 nan 0.000 0.439 281 L N 1.523 122.776 121.223 0.049 0.000 2.012 281 L HA -0.189 4.152 4.340 0.001 0.000 0.210 281 L C 2.268 179.172 176.870 0.056 0.000 1.073 281 L CA 1.732 56.605 54.840 0.055 0.000 0.748 281 L CB -0.478 41.619 42.059 0.064 0.000 0.891 281 L HN 0.069 nan 8.230 nan 0.000 0.431 282 R N -0.404 120.131 120.500 0.057 0.000 2.083 282 R HA -0.207 4.133 4.340 0.001 0.000 0.237 282 R C 2.171 178.490 176.300 0.031 0.000 1.137 282 R CA 2.079 58.205 56.100 0.043 0.000 0.951 282 R CB -0.298 30.029 30.300 0.045 0.000 0.851 282 R HN 0.575 nan 8.270 nan 0.000 0.434 283 E N -0.358 119.859 120.200 0.028 0.000 2.085 283 E HA -0.188 4.162 4.350 0.001 0.000 0.194 283 E C 2.033 178.640 176.600 0.012 0.000 0.994 283 E CA 1.651 58.059 56.400 0.014 0.000 0.801 283 E CB -0.034 29.673 29.700 0.011 0.000 0.743 283 E HN 0.187 nan 8.360 nan 0.000 0.453 284 V N 1.636 121.570 119.914 0.035 0.000 2.295 284 V HA -0.257 3.864 4.120 0.001 0.000 0.246 284 V C 2.348 178.524 176.094 0.136 0.000 1.049 284 V CA 1.482 63.819 62.300 0.061 0.000 1.024 284 V CB -0.474 31.410 31.823 0.102 0.000 0.648 284 V HN 0.265 nan 8.190 nan 0.000 0.447 285 L N -0.423 120.873 121.223 0.122 0.000 2.012 285 L HA -0.233 4.107 4.340 0.001 0.000 0.210 285 L C 2.570 179.505 176.870 0.108 0.000 1.073 285 L CA 1.829 56.749 54.840 0.134 0.000 0.748 285 L CB -0.703 41.390 42.059 0.056 0.000 0.891 285 L HN 0.297 nan 8.230 nan 0.000 0.431 286 K N 0.115 120.542 120.400 0.045 0.000 2.209 286 K HA -0.216 4.104 4.320 0.001 0.000 0.204 286 K C 2.091 178.689 176.600 -0.003 0.000 1.048 286 K CA 1.058 57.356 56.287 0.018 0.000 0.940 286 K CB -0.083 32.417 32.500 -0.000 0.000 0.729 286 K HN 0.196 nan 8.250 nan 0.000 0.451 287 K N 0.104 120.476 120.400 -0.047 0.000 2.288 287 K HA -0.112 4.208 4.320 0.001 0.000 0.201 287 K C 0.858 177.308 176.600 -0.250 0.000 1.048 287 K CA 1.081 57.263 56.287 -0.174 0.000 0.956 287 K CB 0.130 32.456 32.500 -0.290 0.000 0.746 287 K HN 0.112 nan 8.250 nan 0.000 0.461 288 Y N 0.841 121.121 120.300 -0.034 0.000 2.461 288 Y HA 0.165 4.715 4.550 0.000 0.000 0.277 288 Y C -0.301 175.618 175.900 0.032 0.000 1.182 288 Y CA 0.055 58.147 58.100 -0.013 0.000 1.276 288 Y CB -0.197 38.220 38.460 -0.070 0.000 1.087 288 Y HN 0.169 nan 8.280 nan 0.000 0.519 289 N N 0.095 118.864 118.700 0.115 0.000 2.740 289 N HA -0.209 4.531 4.740 0.001 0.000 0.248 289 N C -1.132 174.423 175.510 0.075 0.000 1.062 289 N CA 0.091 53.186 53.050 0.075 0.000 0.704 289 N CB -1.516 37.013 38.487 0.070 0.000 0.968 289 N HN 0.245 nan 8.380 nan 0.000 0.547 290 L N 0.902 122.173 121.223 0.079 0.000 2.380 290 L HA 0.278 4.618 4.340 0.001 0.000 0.273 290 L C -1.258 175.616 176.870 0.008 0.000 1.138 290 L CA -1.485 53.383 54.840 0.047 0.000 0.832 290 L CB 0.123 42.205 42.059 0.038 0.000 1.124 290 L HN -0.020 nan 8.230 nan 0.000 0.454 291 P HA 0.154 nan 4.420 nan 0.000 0.260 291 P C -0.605 176.654 177.300 -0.068 0.000 1.651 291 P CA -0.100 62.981 63.100 -0.031 0.000 1.139 291 P CB 0.059 31.746 31.700 -0.023 0.000 1.756 292 L N 3.205 124.381 121.223 -0.079 0.000 2.380 292 L HA 0.191 4.532 4.340 0.001 0.000 0.273 292 L C 1.571 178.349 176.870 -0.154 0.000 1.138 292 L CA -0.013 54.747 54.840 -0.133 0.000 0.832 292 L CB 0.695 42.675 42.059 -0.132 0.000 1.124 292 L HN 0.238 nan 8.230 nan 0.000 0.454 293 K N 1.471 121.742 120.400 -0.216 0.000 2.367 293 K HA 0.205 4.526 4.320 0.001 0.000 0.195 293 K C 0.020 176.458 176.600 -0.271 0.000 1.060 293 K CA 0.174 56.339 56.287 -0.204 0.000 1.022 293 K CB 0.578 32.965 32.500 -0.188 0.000 0.894 293 K HN 0.625 nan 8.250 nan 0.000 0.540 294 N N 0.000 118.437 118.700 -0.439 0.000 1.763 294 N HA 0.000 4.740 4.740 0.001 0.000 0.220 294 N CA 0.000 52.682 53.050 -0.613 0.000 0.885 294 N CB 0.000 37.752 38.487 -1.226 0.000 1.341 294 N HN 0.000 nan 8.380 nan 0.000 0.667