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 3kdo_1_I DATA FIRST_RESID 7 DATA SEQUENCE TIYDYYVDKG YEPSKKRDII AVFRVTPAEG YTIEQAAGAV AAESSTGTWT DATA SEQUENCE TLYPWYEQER WADLSAKAYD FHDMGDGSWI VRIAYPFHAF EEANLPGLLA DATA SEQUENCE SIAGNIFGMK RVKGLRLEDL YFPEKLIREF DGPAFGIEGV RKMLEIKDRP DATA SEQUENCE IYGVVPKPKV GYSPEEFEKL AYDLLSNGAD YMXDDENLTS PWYNRFEERA DATA SEQUENCE EIMAKIIDKV ENETGEKKTW FANITADLLE MEQRLEVLAD LGLKHAMVDV DATA SEQUENCE VITGWGALRY IRDLAADYGL AIHGHRAMHA AFTRNPYHGI SMFVLAKLYR DATA SEQUENCE LIGIDQLHVG TAGAGKLEGE RDITLGFVDL LRESHYKPDE NDVFHLEQKF DATA SEQUENCE YSIKAAFPTS SGGLHPGNIQ PVIEALGTDI VLQLGGGTLG HPDGPAAGAR DATA SEQUENCE AVRQAIDAIM QGIPLDEYAK THKELARALE KWGHVTPV 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.666 174.700 -0.057 0.000 1.109 7 T CA 0.000 62.056 62.100 -0.073 0.000 1.349 7 T CB 0.000 68.892 68.868 0.039 0.000 0.612 8 I N 0.798 121.290 120.570 -0.131 0.000 3.771 8 I HA 0.613 4.784 4.170 0.001 0.000 0.327 8 I C 1.380 177.545 176.117 0.080 0.000 1.435 8 I CA -0.392 60.900 61.300 -0.013 0.000 1.259 8 I CB -2.100 35.890 38.000 -0.018 0.000 1.292 8 I HN 0.458 nan 8.210 nan 0.000 0.429 9 Y N 0.158 120.578 120.300 0.199 0.000 2.651 9 Y HA -0.148 4.402 4.550 0.001 0.000 0.296 9 Y C 2.127 178.166 175.900 0.232 0.000 1.150 9 Y CA 1.129 59.396 58.100 0.278 0.000 1.348 9 Y CB -0.607 37.978 38.460 0.209 0.000 0.983 9 Y HN 0.570 nan 8.280 nan 0.000 0.555 10 D N -1.038 119.528 120.400 0.277 0.000 2.292 10 D HA -0.280 4.361 4.640 0.001 0.000 0.205 10 D C 1.786 178.191 176.300 0.174 0.000 0.994 10 D CA 1.263 55.370 54.000 0.179 0.000 0.897 10 D CB -0.270 40.602 40.800 0.120 0.000 0.907 10 D HN 0.482 nan 8.370 nan 0.000 0.467 11 Y N -0.092 120.264 120.300 0.093 0.000 2.184 11 Y HA -0.207 4.344 4.550 0.001 0.000 0.290 11 Y C 1.625 177.449 175.900 -0.127 0.000 1.129 11 Y CA 1.353 59.423 58.100 -0.050 0.000 1.144 11 Y CB -0.437 37.943 38.460 -0.133 0.000 0.995 11 Y HN -0.064 nan 8.280 nan 0.000 0.513 12 Y N -0.544 119.832 120.300 0.127 0.000 2.578 12 Y HA 0.158 4.709 4.550 0.001 0.000 0.297 12 Y C 0.113 175.989 175.900 -0.041 0.000 1.176 12 Y CA -0.036 58.051 58.100 -0.021 0.000 1.315 12 Y CB -0.047 38.478 38.460 0.110 0.000 1.031 12 Y HN -0.218 nan 8.280 nan 0.000 0.524 13 V N 1.027 121.014 119.914 0.121 0.000 2.370 13 V HA 0.283 4.404 4.120 0.001 0.000 0.283 13 V C -0.849 175.278 176.094 0.055 0.000 1.023 13 V CA -0.659 61.719 62.300 0.129 0.000 0.857 13 V CB 1.604 33.514 31.823 0.146 0.000 0.985 13 V HN 0.029 nan 8.190 nan 0.000 0.443 14 D N 3.516 123.975 120.400 0.099 0.000 2.337 14 D HA 0.260 4.901 4.640 0.001 0.000 0.238 14 D C 0.630 177.051 176.300 0.202 0.000 1.331 14 D CA -0.472 53.582 54.000 0.091 0.000 0.967 14 D CB 1.222 42.037 40.800 0.024 0.000 1.382 14 D HN 0.431 nan 8.370 nan 0.000 0.549 15 K N 0.845 121.348 120.400 0.171 0.000 2.504 15 K HA 0.099 4.419 4.320 0.001 0.000 0.195 15 K C 1.676 178.391 176.600 0.192 0.000 1.036 15 K CA 0.643 57.060 56.287 0.216 0.000 0.984 15 K CB 0.486 33.052 32.500 0.110 0.000 0.788 15 K HN 0.352 nan 8.250 nan 0.000 0.488 16 G N 0.302 109.192 108.800 0.151 0.000 2.683 16 G HA2 -0.159 3.802 3.960 0.001 0.000 0.213 16 G HA3 -0.159 3.802 3.960 0.001 0.000 0.213 16 G C 0.098 175.066 174.900 0.113 0.000 1.142 16 G CA -0.219 44.946 45.100 0.108 0.000 0.793 16 G HN 0.228 nan 8.290 nan 0.000 0.534 17 Y N 1.472 121.799 120.300 0.047 0.000 2.511 17 Y HA 0.369 4.919 4.550 0.001 0.000 0.332 17 Y C -0.001 175.855 175.900 -0.073 0.000 1.177 17 Y CA -0.633 57.455 58.100 -0.020 0.000 1.422 17 Y CB 0.851 39.287 38.460 -0.040 0.000 1.271 17 Y HN 0.085 nan 8.280 nan 0.000 0.550 18 E N 8.647 128.359 120.200 -0.814 0.000 2.155 18 E HA 0.406 4.756 4.350 0.001 0.000 0.264 18 E C -2.792 173.261 176.600 -0.911 0.000 0.886 18 E CA -2.844 53.181 56.400 -0.625 0.000 0.752 18 E CB 0.892 30.380 29.700 -0.355 0.000 1.133 18 E HN 0.339 nan 8.360 nan 0.000 0.414 19 P HA 0.020 nan 4.420 nan 0.000 0.269 19 P C -0.600 176.595 177.300 -0.174 0.000 1.209 19 P CA -0.298 62.638 63.100 -0.274 0.000 0.776 19 P CB 1.187 32.681 31.700 -0.344 0.000 0.876 20 S N 1.394 117.085 115.700 -0.015 0.000 2.452 20 S HA 0.155 4.626 4.470 0.001 0.000 0.284 20 S C 1.078 175.743 174.600 0.108 0.000 1.171 20 S CA -0.644 57.573 58.200 0.029 0.000 1.064 20 S CB 0.094 63.341 63.200 0.078 0.000 0.967 20 S HN 0.253 nan 8.310 nan 0.000 0.484 21 K N 2.992 123.443 120.400 0.084 0.000 2.283 21 K HA 0.033 4.354 4.320 0.001 0.000 0.202 21 K C 1.232 177.999 176.600 0.279 0.000 1.048 21 K CA 0.729 57.116 56.287 0.166 0.000 0.948 21 K CB 0.083 32.640 32.500 0.095 0.000 0.742 21 K HN 0.441 nan 8.250 nan 0.000 0.458 22 K N 0.182 120.698 120.400 0.194 0.000 2.352 22 K HA 0.084 4.405 4.320 0.001 0.000 0.194 22 K C 1.496 178.226 176.600 0.217 0.000 1.038 22 K CA 0.598 56.987 56.287 0.170 0.000 1.023 22 K CB 0.505 33.075 32.500 0.116 0.000 0.840 22 K HN 0.123 nan 8.250 nan 0.000 0.519 23 R N 0.027 120.698 120.500 0.284 0.000 2.435 23 R HA 0.146 4.487 4.340 0.001 0.000 0.221 23 R C -0.373 176.193 176.300 0.443 0.000 0.885 23 R CA -0.111 56.252 56.100 0.438 0.000 1.018 23 R CB 0.771 31.245 30.300 0.290 0.000 1.259 23 R HN -0.029 nan 8.270 nan 0.000 0.597 24 D N 1.109 121.720 120.400 0.353 0.000 2.193 24 D HA 0.295 4.935 4.640 0.001 0.000 0.244 24 D C -0.345 176.210 176.300 0.426 0.000 1.064 24 D CA -0.245 53.963 54.000 0.348 0.000 0.845 24 D CB 1.720 42.681 40.800 0.269 0.000 1.148 24 D HN -0.035 nan 8.370 nan 0.000 0.464 25 I N 2.845 123.660 120.570 0.407 0.000 2.395 25 I HA 0.260 4.431 4.170 0.001 0.000 0.289 25 I C 0.254 176.681 176.117 0.516 0.000 1.023 25 I CA -0.398 61.149 61.300 0.410 0.000 1.350 25 I CB 0.882 39.024 38.000 0.236 0.000 1.409 25 I HN 0.106 nan 8.210 nan 0.000 0.507 26 I N 5.865 126.754 120.570 0.532 0.000 2.406 26 I HA 0.493 4.663 4.170 0.001 0.000 0.290 26 I C 0.021 176.345 176.117 0.345 0.000 0.999 26 I CA -0.559 61.013 61.300 0.453 0.000 1.124 26 I CB 1.818 40.049 38.000 0.386 0.000 1.289 26 I HN 0.565 nan 8.210 nan 0.000 0.441 27 A N 6.636 129.652 122.820 0.327 0.000 2.288 27 A HA 0.689 5.010 4.320 0.001 0.000 0.320 27 A C -0.556 176.950 177.584 -0.131 0.000 1.217 27 A CA -0.476 51.583 52.037 0.036 0.000 0.840 27 A CB 0.973 20.029 19.000 0.093 0.000 1.179 27 A HN 0.463 nan 8.150 nan 0.000 0.504 28 V N 3.552 123.311 119.914 -0.258 0.000 2.350 28 V HA 0.407 4.527 4.120 0.001 0.000 0.276 28 V C -0.842 175.059 176.094 -0.322 0.000 1.028 28 V CA -0.016 62.172 62.300 -0.187 0.000 0.860 28 V CB 0.002 31.784 31.823 -0.068 0.000 0.990 28 V HN 0.688 nan 8.190 nan 0.000 0.453 29 F N 3.343 123.306 119.950 0.022 0.000 2.480 29 F HA 0.603 5.130 4.527 0.001 0.000 0.329 29 F C 0.492 176.336 175.800 0.073 0.000 1.091 29 F CA -0.833 57.192 58.000 0.042 0.000 0.972 29 F CB 1.705 40.703 39.000 -0.003 0.000 1.150 29 F HN 0.303 nan 8.300 nan 0.000 0.467 30 R N 2.481 123.177 120.500 0.325 0.000 2.204 30 R HA 0.605 4.946 4.340 0.001 0.000 0.341 30 R C -1.799 174.685 176.300 0.307 0.000 1.035 30 R CA -0.283 55.993 56.100 0.294 0.000 0.887 30 R CB 0.534 30.996 30.300 0.269 0.000 1.114 30 R HN 0.549 nan 8.270 nan 0.000 0.473 31 V N 4.269 124.355 119.914 0.286 0.000 2.370 31 V HA 0.270 4.390 4.120 0.001 0.000 0.283 31 V C -0.079 176.188 176.094 0.290 0.000 1.023 31 V CA -0.540 61.900 62.300 0.234 0.000 0.857 31 V CB 1.787 33.690 31.823 0.133 0.000 0.985 31 V HN 0.747 nan 8.190 nan 0.000 0.443 32 T N 7.859 122.565 114.554 0.254 0.000 2.929 32 T HA 0.350 4.701 4.350 0.001 0.000 0.331 32 T C -2.581 172.219 174.700 0.166 0.000 1.120 32 T CA -1.203 61.039 62.100 0.236 0.000 0.973 32 T CB 1.161 70.154 68.868 0.210 0.000 1.036 32 T HN 0.410 nan 8.240 nan 0.000 0.502 33 P HA 0.285 nan 4.420 nan 0.000 0.269 33 P C -0.291 177.090 177.300 0.135 0.000 1.209 33 P CA -0.379 62.792 63.100 0.118 0.000 0.776 33 P CB 0.447 32.224 31.700 0.129 0.000 0.876 34 A N 2.172 125.069 122.820 0.127 0.000 2.386 34 A HA 0.084 4.405 4.320 0.001 0.000 0.246 34 A C 0.471 178.204 177.584 0.249 0.000 1.089 34 A CA -0.388 51.749 52.037 0.168 0.000 0.790 34 A CB -0.356 18.732 19.000 0.146 0.000 1.042 34 A HN 0.621 nan 8.150 nan 0.000 0.497 35 E N -0.182 120.121 120.200 0.173 0.000 2.502 35 E HA 0.246 4.597 4.350 0.001 0.000 0.261 35 E C 1.152 177.804 176.600 0.086 0.000 0.974 35 E CA 1.124 57.593 56.400 0.115 0.000 0.936 35 E CB -0.056 29.685 29.700 0.069 0.000 0.926 35 E HN 1.552 nan 8.360 nan 0.000 0.459 36 G N 3.291 112.080 108.800 -0.018 0.000 2.157 36 G HA2 -0.282 3.678 3.960 0.001 0.000 0.248 36 G HA3 -0.282 3.678 3.960 0.001 0.000 0.248 36 G C -0.732 173.908 174.900 -0.433 0.000 0.979 36 G CA 0.375 45.340 45.100 -0.224 0.000 0.650 36 G HN 0.500 nan 8.290 nan 0.000 0.529 37 Y N 0.529 120.845 120.300 0.027 0.000 2.477 37 Y HA 0.618 5.168 4.550 0.001 0.000 0.347 37 Y C 0.870 176.772 175.900 0.003 0.000 0.981 37 Y CA -0.250 57.862 58.100 0.019 0.000 1.033 37 Y CB 1.849 40.321 38.460 0.020 0.000 1.245 37 Y HN 0.318 nan 8.280 nan 0.000 0.455 38 T N -0.982 113.651 114.554 0.131 0.000 2.849 38 T HA 0.192 4.543 4.350 0.001 0.000 0.284 38 T C 0.997 175.666 174.700 -0.051 0.000 1.004 38 T CA -0.524 61.583 62.100 0.011 0.000 1.021 38 T CB 0.978 69.823 68.868 -0.038 0.000 1.013 38 T HN 0.626 nan 8.240 nan 0.000 0.527 39 I N 0.941 121.367 120.570 -0.240 0.000 2.264 39 I HA -0.071 4.100 4.170 0.001 0.000 0.248 39 I C 2.103 178.143 176.117 -0.129 0.000 1.111 39 I CA 1.590 62.688 61.300 -0.335 0.000 1.382 39 I CB -0.753 36.635 38.000 -1.021 0.000 1.060 39 I HN 0.811 nan 8.210 nan 0.000 0.418 40 E N 0.112 120.208 120.200 -0.174 0.000 2.072 40 E HA -0.228 4.123 4.350 0.001 0.000 0.191 40 E C 2.216 178.821 176.600 0.007 0.000 0.985 40 E CA 1.387 57.741 56.400 -0.078 0.000 0.801 40 E CB -0.290 29.300 29.700 -0.182 0.000 0.750 40 E HN 0.615 nan 8.360 nan 0.000 0.452 41 Q N -0.163 119.648 119.800 0.019 0.000 2.119 41 Q HA -0.070 4.271 4.340 0.001 0.000 0.201 41 Q C 2.191 178.147 176.000 -0.074 0.000 0.972 41 Q CA 1.301 57.144 55.803 0.066 0.000 0.847 41 Q CB -0.140 28.719 28.738 0.200 0.000 0.903 41 Q HN 0.303 nan 8.270 nan 0.000 0.433 42 A N 1.065 123.840 122.820 -0.074 0.000 1.872 42 A HA -0.030 4.290 4.320 0.001 0.000 0.214 42 A C 2.298 179.770 177.584 -0.187 0.000 1.187 42 A CA 1.397 53.346 52.037 -0.146 0.000 0.614 42 A CB -0.757 18.198 19.000 -0.076 0.000 0.826 42 A HN 0.370 nan 8.150 nan 0.000 0.442 43 A N -0.393 122.366 122.820 -0.101 0.000 1.933 43 A HA 0.127 4.448 4.320 0.001 0.000 0.218 43 A C 2.377 179.866 177.584 -0.158 0.000 1.175 43 A CA 1.913 53.887 52.037 -0.105 0.000 0.628 43 A CB -1.350 17.676 19.000 0.042 0.000 0.814 43 A HN 0.708 nan 8.150 nan 0.000 0.444 44 G N -0.429 108.280 108.800 -0.152 0.000 2.421 44 G HA2 -0.011 3.949 3.960 0.001 0.000 0.216 44 G HA3 -0.011 3.949 3.960 0.001 0.000 0.216 44 G C 1.757 176.229 174.900 -0.714 0.000 1.171 44 G CA 1.462 46.424 45.100 -0.230 0.000 0.775 44 G HN 0.794 nan 8.290 nan 0.000 0.543 45 A N 0.043 122.288 122.820 -0.958 0.000 1.902 45 A HA 0.076 4.396 4.320 0.001 0.000 0.217 45 A C 2.618 179.894 177.584 -0.513 0.000 1.181 45 A CA 1.832 53.303 52.037 -0.942 0.000 0.623 45 A CB -0.649 17.988 19.000 -0.605 0.000 0.818 45 A HN 0.257 nan 8.150 nan 0.000 0.443 46 V N -0.152 119.506 119.914 -0.426 0.000 2.261 46 V HA -0.265 3.855 4.120 0.001 0.000 0.246 46 V C 3.088 178.988 176.094 -0.324 0.000 1.047 46 V CA 2.032 64.090 62.300 -0.403 0.000 1.015 46 V CB -1.251 30.267 31.823 -0.507 0.000 0.642 46 V HN 0.626 nan 8.190 nan 0.000 0.446 47 A N -0.124 122.526 122.820 -0.285 0.000 1.908 47 A HA -0.177 4.144 4.320 0.001 0.000 0.218 47 A C 2.417 179.784 177.584 -0.363 0.000 1.181 47 A CA 2.380 54.297 52.037 -0.199 0.000 0.627 47 A CB -0.863 18.074 19.000 -0.106 0.000 0.818 47 A HN 0.592 nan 8.150 nan 0.000 0.445 48 A N -0.844 121.568 122.820 -0.681 0.000 1.858 48 A HA 0.059 4.380 4.320 0.001 0.000 0.216 48 A C 2.197 179.586 177.584 -0.325 0.000 1.190 48 A CA 2.499 53.994 52.037 -0.904 0.000 0.617 48 A CB -1.187 17.481 19.000 -0.553 0.000 0.827 48 A HN 0.792 nan 8.150 nan 0.000 0.443 49 E N -0.177 119.898 120.200 -0.208 0.000 2.268 49 E HA -0.097 4.253 4.350 0.001 0.000 0.195 49 E C 1.927 178.488 176.600 -0.065 0.000 0.995 49 E CA 1.793 58.137 56.400 -0.094 0.000 0.836 49 E CB -0.993 28.647 29.700 -0.099 0.000 0.763 49 E HN 1.013 nan 8.360 nan 0.000 0.491 50 S N -2.046 113.618 115.700 -0.060 0.000 2.575 50 S HA 0.352 4.822 4.470 0.001 0.000 0.215 50 S C 1.422 176.093 174.600 0.119 0.000 0.966 50 S CA 0.555 58.776 58.200 0.036 0.000 0.911 50 S CB 0.409 63.667 63.200 0.097 0.000 0.780 50 S HN 0.340 nan 8.310 nan 0.000 0.514 51 S N 1.288 117.019 115.700 0.051 0.000 3.906 51 S HA 0.370 4.841 4.470 0.001 0.000 0.188 51 S C 0.886 175.489 174.600 0.006 0.000 1.054 51 S CA 0.470 58.706 58.200 0.060 0.000 1.503 51 S CB 0.355 63.617 63.200 0.103 0.000 1.144 51 S HN 0.583 nan 8.310 nan 0.000 0.833 52 T N -0.134 114.454 114.554 0.055 0.000 3.182 52 T HA 0.547 4.897 4.350 0.001 0.000 0.277 52 T C 0.446 175.350 174.700 0.339 0.000 1.013 52 T CA 0.163 62.336 62.100 0.122 0.000 0.900 52 T CB 0.272 69.071 68.868 -0.115 0.000 1.098 52 T HN 0.490 nan 8.240 nan 0.000 0.543 53 G N -0.250 108.672 108.800 0.203 0.000 2.705 53 G HA2 0.801 4.762 3.960 0.001 0.000 0.299 53 G HA3 0.801 4.762 3.960 0.001 0.000 0.299 53 G C -0.368 174.627 174.900 0.159 0.000 1.315 53 G CA -0.084 45.166 45.100 0.249 0.000 1.045 53 G HN 0.675 nan 8.290 nan 0.000 0.517 54 T N -1.950 112.700 114.554 0.159 0.000 2.645 54 T HA 0.469 4.820 4.350 0.001 0.000 0.300 54 T C 0.510 175.311 174.700 0.168 0.000 1.210 54 T CA -0.069 62.114 62.100 0.137 0.000 1.034 54 T CB 0.409 69.293 68.868 0.026 0.000 1.537 54 T HN 0.968 nan 8.240 nan 0.000 0.492 55 W N 0.776 122.127 121.300 0.084 0.000 3.003 55 W HA 0.406 5.067 4.660 0.001 0.000 0.257 55 W C 0.090 176.628 176.519 0.032 0.000 1.308 55 W CA 1.017 58.410 57.345 0.080 0.000 1.529 55 W CB -0.581 28.920 29.460 0.068 0.000 1.115 55 W HN 0.801 nan 8.180 nan 0.000 0.659 56 T N 1.206 115.342 114.554 -0.697 0.000 2.838 56 T HA 0.396 4.747 4.350 0.001 0.000 0.292 56 T C 0.067 174.521 174.700 -0.409 0.000 1.113 56 T CA 0.142 61.821 62.100 -0.702 0.000 1.008 56 T CB 1.533 69.615 68.868 -1.310 0.000 1.259 56 T HN 0.011 nan 8.240 nan 0.000 0.520 57 T N -0.394 113.975 114.554 -0.308 0.000 2.868 57 T HA 0.706 5.057 4.350 0.001 0.000 0.292 57 T C 0.201 174.786 174.700 -0.190 0.000 1.028 57 T CA -0.156 61.817 62.100 -0.211 0.000 1.059 57 T CB 0.374 69.144 68.868 -0.163 0.000 0.991 57 T HN 1.161 nan 8.240 nan 0.000 0.531 58 L N -0.828 120.319 121.223 -0.125 0.000 2.359 58 L HA 0.914 5.255 4.340 0.001 0.000 0.256 58 L C 0.241 177.108 176.870 -0.005 0.000 1.026 58 L CA -1.493 53.322 54.840 -0.041 0.000 0.828 58 L CB 0.062 42.149 42.059 0.048 0.000 1.406 58 L HN 1.404 nan 8.230 nan 0.000 0.413 59 Y N 0.041 120.385 120.300 0.075 0.000 2.326 59 Y HA 0.640 5.191 4.550 0.001 0.000 0.333 59 Y C -1.885 174.085 175.900 0.117 0.000 1.240 59 Y CA -2.102 56.040 58.100 0.069 0.000 1.365 59 Y CB -0.052 38.453 38.460 0.075 0.000 1.289 59 Y HN 0.740 nan 8.280 nan 0.000 0.548 60 P HA 0.124 nan 4.420 nan 0.000 0.262 60 P C 0.013 177.150 177.300 -0.272 0.000 1.620 60 P CA 0.105 62.944 63.100 -0.435 0.000 1.089 60 P CB -0.495 30.960 31.700 -0.408 0.000 1.601 61 W N 3.993 125.105 121.300 -0.313 0.000 2.846 61 W HA 0.231 4.891 4.660 0.001 0.000 0.391 61 W C -1.129 175.377 176.519 -0.022 0.000 1.011 61 W CA -0.730 56.552 57.345 -0.106 0.000 1.832 61 W CB -0.940 28.526 29.460 0.010 0.000 1.151 61 W HN 0.154 nan 8.180 nan 0.000 0.582 62 Y N -1.092 118.891 120.300 -0.528 0.000 2.638 62 Y HA 0.612 5.162 4.550 0.001 0.000 0.339 62 Y C -0.303 175.418 175.900 -0.298 0.000 1.084 62 Y CA -2.247 55.534 58.100 -0.531 0.000 1.068 62 Y CB 0.421 38.329 38.460 -0.920 0.000 1.294 62 Y HN -0.069 nan 8.280 nan 0.000 0.480 63 E N 1.586 121.777 120.200 -0.014 0.000 2.104 63 E HA 0.008 4.358 4.350 0.001 0.000 0.278 63 E C 0.626 177.283 176.600 0.095 0.000 1.127 63 E CA -0.125 56.267 56.400 -0.013 0.000 0.897 63 E CB 1.104 30.816 29.700 0.020 0.000 1.043 63 E HN 0.794 nan 8.360 nan 0.000 0.410 64 Q N 3.913 123.690 119.800 -0.039 0.000 2.112 64 Q HA -0.294 4.046 4.340 0.001 0.000 0.206 64 Q C 1.969 178.096 176.000 0.212 0.000 0.987 64 Q CA 2.878 58.722 55.803 0.068 0.000 0.858 64 Q CB -0.127 28.562 28.738 -0.081 0.000 0.905 64 Q HN 0.740 nan 8.270 nan 0.000 0.420 65 E N 0.857 121.125 120.200 0.113 0.000 2.077 65 E HA -0.222 4.129 4.350 0.001 0.000 0.193 65 E C 1.914 178.583 176.600 0.115 0.000 0.989 65 E CA 1.416 57.878 56.400 0.103 0.000 0.800 65 E CB -0.743 28.988 29.700 0.052 0.000 0.746 65 E HN 0.515 nan 8.360 nan 0.000 0.452 66 R N -1.557 119.012 120.500 0.115 0.000 2.066 66 R HA -0.113 4.228 4.340 0.001 0.000 0.232 66 R C 2.333 178.688 176.300 0.091 0.000 1.131 66 R CA 1.755 57.905 56.100 0.083 0.000 0.955 66 R CB -0.501 29.838 30.300 0.065 0.000 0.851 66 R HN 0.666 nan 8.270 nan 0.000 0.432 67 W N 0.958 122.243 121.300 -0.026 0.000 2.335 67 W HA -0.180 4.480 4.660 0.001 0.000 0.311 67 W C 1.993 178.496 176.519 -0.027 0.000 1.213 67 W CA 2.240 59.542 57.345 -0.071 0.000 1.274 67 W CB -0.398 29.022 29.460 -0.066 0.000 1.148 67 W HN 0.182 nan 8.180 nan 0.000 0.498 68 A N -0.315 122.592 122.820 0.145 0.000 2.015 68 A HA -0.210 4.110 4.320 0.001 0.000 0.219 68 A C 1.614 179.114 177.584 -0.141 0.000 1.163 68 A CA 2.071 54.068 52.037 -0.067 0.000 0.646 68 A CB -1.121 18.030 19.000 0.252 0.000 0.806 68 A HN 0.456 nan 8.150 nan 0.000 0.448 69 D N -0.584 119.772 120.400 -0.074 0.000 2.269 69 D HA -0.029 4.611 4.640 0.001 0.000 0.208 69 D C 1.574 177.777 176.300 -0.162 0.000 0.963 69 D CA 0.829 54.793 54.000 -0.061 0.000 0.864 69 D CB -0.080 40.736 40.800 0.026 0.000 0.936 69 D HN 0.447 nan 8.370 nan 0.000 0.505 70 L N -0.514 120.543 121.223 -0.277 0.000 2.513 70 L HA 0.217 4.557 4.340 0.001 0.000 0.222 70 L C 0.824 177.484 176.870 -0.350 0.000 1.096 70 L CA -0.172 54.441 54.840 -0.379 0.000 0.857 70 L CB 0.042 41.872 42.059 -0.382 0.000 1.026 70 L HN -0.159 nan 8.230 nan 0.000 0.469 71 S N 1.003 116.464 115.700 -0.399 0.000 2.560 71 S HA 0.352 4.823 4.470 0.001 0.000 0.284 71 S C 0.508 174.973 174.600 -0.225 0.000 1.327 71 S CA -0.412 57.600 58.200 -0.312 0.000 1.055 71 S CB 1.098 64.017 63.200 -0.469 0.000 0.868 71 S HN 0.286 nan 8.310 nan 0.000 0.506 72 A N 2.719 125.485 122.820 -0.090 0.000 2.272 72 A HA 0.686 5.006 4.320 0.001 0.000 0.275 72 A C -0.153 177.274 177.584 -0.261 0.000 1.096 72 A CA -0.283 51.582 52.037 -0.287 0.000 0.822 72 A CB 0.285 18.963 19.000 -0.537 0.000 1.088 72 A HN 0.570 nan 8.150 nan 0.000 0.495 73 K N -0.166 120.011 120.400 -0.371 0.000 2.601 73 K HA 0.569 4.890 4.320 0.001 0.000 0.249 73 K C -0.750 175.797 176.600 -0.088 0.000 0.966 73 K CA 0.026 56.153 56.287 -0.267 0.000 0.827 73 K CB 1.759 33.957 32.500 -0.503 0.000 1.178 73 K HN 0.848 nan 8.250 nan 0.000 0.437 74 A N 3.455 126.272 122.820 -0.004 0.000 2.395 74 A HA 0.309 4.629 4.320 0.001 0.000 0.286 74 A C 0.030 177.712 177.584 0.164 0.000 1.193 74 A CA -0.021 52.016 52.037 0.001 0.000 0.852 74 A CB -0.556 18.438 19.000 -0.010 0.000 1.118 74 A HN 0.859 nan 8.150 nan 0.000 0.524 75 Y N 0.224 120.551 120.300 0.045 0.000 2.426 75 Y HA 0.509 5.060 4.550 0.001 0.000 0.249 75 Y C 0.032 176.062 175.900 0.218 0.000 1.103 75 Y CA -0.331 57.874 58.100 0.175 0.000 1.256 75 Y CB 0.311 38.897 38.460 0.210 0.000 1.208 75 Y HN 0.470 nan 8.280 nan 0.000 0.519 76 D N 0.333 120.469 120.400 -0.441 0.000 2.879 76 D HA 0.464 5.104 4.640 0.001 0.000 0.236 76 D C -1.873 174.276 176.300 -0.252 0.000 1.171 76 D CA -0.378 53.491 54.000 -0.219 0.000 0.868 76 D CB 1.424 41.963 40.800 -0.435 0.000 1.598 76 D HN 0.052 nan 8.370 nan 0.000 0.497 77 F N 1.960 121.933 119.950 0.037 0.000 2.539 77 F HA 0.339 4.867 4.527 0.001 0.000 0.318 77 F C -0.601 175.392 175.800 0.320 0.000 1.135 77 F CA -0.985 57.121 58.000 0.178 0.000 0.915 77 F CB 1.936 41.011 39.000 0.125 0.000 1.176 77 F HN 0.363 nan 8.300 nan 0.000 0.440 78 H N 2.077 121.367 119.070 0.366 0.000 2.800 78 H HA 0.253 4.810 4.556 0.001 0.000 0.322 78 H C -1.105 174.238 175.328 0.024 0.000 0.979 78 H CA -0.778 55.372 56.048 0.170 0.000 1.277 78 H CB 0.933 30.687 29.762 -0.013 0.000 1.484 78 H HN 0.482 nan 8.280 nan 0.000 0.512 79 D N 4.730 124.657 120.400 -0.789 0.000 2.383 79 D HA -0.028 4.612 4.640 0.001 0.000 0.252 79 D C 0.832 176.516 176.300 -1.027 0.000 1.166 79 D CA -0.076 53.022 54.000 -1.504 0.000 0.879 79 D CB 0.864 40.693 40.800 -1.620 0.000 1.164 79 D HN 0.580 nan 8.370 nan 0.000 0.462 80 M N 2.288 121.475 119.600 -0.690 0.000 2.447 80 M HA 0.129 4.610 4.480 0.001 0.000 0.264 80 M C 1.530 177.677 176.300 -0.256 0.000 1.095 80 M CA 0.787 55.898 55.300 -0.315 0.000 1.125 80 M CB -0.753 31.801 32.600 -0.076 0.000 1.389 80 M HN 0.727 nan 8.290 nan 0.000 0.459 81 G N 1.819 110.412 108.800 -0.345 0.000 2.141 81 G HA2 -0.220 3.740 3.960 0.001 0.000 0.242 81 G HA3 -0.220 3.740 3.960 0.001 0.000 0.242 81 G C 0.041 174.881 174.900 -0.100 0.000 0.982 81 G CA 0.641 45.612 45.100 -0.214 0.000 0.662 81 G HN 0.565 nan 8.290 nan 0.000 0.527 82 D N -1.697 118.663 120.400 -0.068 0.000 2.527 82 D HA 0.435 5.076 4.640 0.001 0.000 0.224 82 D C 1.605 177.917 176.300 0.021 0.000 1.217 82 D CA 0.717 54.723 54.000 0.010 0.000 0.819 82 D CB -0.249 40.607 40.800 0.095 0.000 1.061 82 D HN 1.486 nan 8.370 nan 0.000 0.515 83 G N 0.205 109.014 108.800 0.014 0.000 2.201 83 G HA2 -0.192 3.768 3.960 0.001 0.000 0.212 83 G HA3 -0.192 3.768 3.960 0.001 0.000 0.212 83 G C 0.299 175.318 174.900 0.198 0.000 0.994 83 G CA 0.194 45.353 45.100 0.098 0.000 0.644 83 G HN 0.918 nan 8.290 nan 0.000 0.508 84 S N -0.963 114.836 115.700 0.165 0.000 2.664 84 S HA 0.862 5.332 4.470 0.001 0.000 0.304 84 S C -0.814 173.893 174.600 0.178 0.000 1.099 84 S CA -0.672 57.708 58.200 0.299 0.000 1.003 84 S CB 2.109 65.532 63.200 0.372 0.000 1.092 84 S HN 0.623 nan 8.310 nan 0.000 0.525 85 W N 0.037 121.419 121.300 0.136 0.000 2.950 85 W HA 0.593 5.254 4.660 0.001 0.000 0.340 85 W C -0.863 175.716 176.519 0.100 0.000 1.139 85 W CA -1.024 56.384 57.345 0.106 0.000 1.188 85 W CB 1.195 30.729 29.460 0.124 0.000 1.426 85 W HN 0.472 nan 8.180 nan 0.000 0.531 86 I N 3.407 124.155 120.570 0.297 0.000 2.315 86 I HA 0.311 4.481 4.170 0.001 0.000 0.291 86 I C -0.404 175.750 176.117 0.062 0.000 1.006 86 I CA -0.903 60.492 61.300 0.159 0.000 1.265 86 I CB 0.356 38.382 38.000 0.043 0.000 1.387 86 I HN 0.051 nan 8.210 nan 0.000 0.475 87 V N 7.616 127.515 119.914 -0.025 0.000 2.444 87 V HA 0.430 4.551 4.120 0.001 0.000 0.294 87 V C 0.263 176.227 176.094 -0.216 0.000 1.022 87 V CA -0.890 61.235 62.300 -0.292 0.000 0.850 87 V CB 1.895 33.489 31.823 -0.382 0.000 0.992 87 V HN 0.625 nan 8.190 nan 0.000 0.426 88 R N 5.442 125.696 120.500 -0.410 0.000 2.297 88 R HA 0.694 5.035 4.340 0.001 0.000 0.308 88 R C -1.043 175.065 176.300 -0.319 0.000 1.029 88 R CA -0.425 55.456 56.100 -0.366 0.000 0.929 88 R CB 1.562 31.498 30.300 -0.607 0.000 1.046 88 R HN 0.577 nan 8.270 nan 0.000 0.461 89 I N 1.658 122.249 120.570 0.035 0.000 2.465 89 I HA 0.395 4.565 4.170 0.001 0.000 0.291 89 I C -0.219 175.945 176.117 0.078 0.000 1.014 89 I CA -0.960 60.367 61.300 0.046 0.000 1.093 89 I CB 2.113 40.127 38.000 0.024 0.000 1.267 89 I HN 0.606 nan 8.210 nan 0.000 0.431 90 A N 6.363 129.168 122.820 -0.024 0.000 2.305 90 A HA 0.788 5.109 4.320 0.001 0.000 0.322 90 A C -1.463 175.923 177.584 -0.329 0.000 1.187 90 A CA -0.260 51.760 52.037 -0.029 0.000 0.825 90 A CB 0.478 19.454 19.000 -0.040 0.000 1.164 90 A HN 0.627 nan 8.150 nan 0.000 0.498 91 Y N 2.413 122.803 120.300 0.150 0.000 2.425 91 Y HA 0.473 5.023 4.550 0.001 0.000 0.344 91 Y C -2.207 173.782 175.900 0.149 0.000 0.969 91 Y CA -2.616 55.572 58.100 0.146 0.000 1.052 91 Y CB 2.093 40.766 38.460 0.355 0.000 1.215 91 Y HN 0.501 nan 8.280 nan 0.000 0.451 92 P HA -0.025 nan 4.420 nan 0.000 0.271 92 P C 0.489 177.855 177.300 0.110 0.000 1.220 92 P CA -0.135 63.004 63.100 0.065 0.000 0.768 92 P CB 0.534 32.148 31.700 -0.143 0.000 0.848 93 F N 3.860 123.964 119.950 0.257 0.000 2.202 93 F HA -0.205 4.323 4.527 0.001 0.000 0.301 93 F C 1.943 177.876 175.800 0.223 0.000 1.082 93 F CA 1.352 59.497 58.000 0.241 0.000 1.313 93 F CB -1.891 37.179 39.000 0.116 0.000 1.024 93 F HN 0.431 nan 8.300 nan 0.000 0.495 94 H N -0.023 118.735 119.070 -0.520 0.000 2.563 94 H HA 0.384 4.940 4.556 0.001 0.000 0.272 94 H C 1.635 176.863 175.328 -0.166 0.000 1.005 94 H CA 0.646 56.525 56.048 -0.283 0.000 1.171 94 H CB -0.819 28.654 29.762 -0.482 0.000 1.351 94 H HN 0.451 nan 8.280 nan 0.000 0.602 95 A N 0.483 123.007 122.820 -0.495 0.000 2.123 95 A HA 0.194 4.514 4.320 0.001 0.000 0.214 95 A C 0.136 177.329 177.584 -0.652 0.000 1.152 95 A CA -0.096 51.549 52.037 -0.653 0.000 0.728 95 A CB -0.207 18.299 19.000 -0.823 0.000 0.814 95 A HN 0.199 nan 8.150 nan 0.000 0.464 96 F N -0.167 119.742 119.950 -0.068 0.000 2.492 96 F HA 0.403 4.931 4.527 0.001 0.000 0.327 96 F C 0.431 176.220 175.800 -0.018 0.000 1.079 96 F CA -1.199 56.771 58.000 -0.050 0.000 0.967 96 F CB 1.003 39.959 39.000 -0.072 0.000 1.169 96 F HN 0.141 nan 8.300 nan 0.000 0.472 97 E N 2.465 122.751 120.200 0.145 0.000 2.452 97 E HA -0.005 4.345 4.350 0.001 0.000 0.261 97 E C -0.487 176.149 176.600 0.060 0.000 0.987 97 E CA -0.342 56.105 56.400 0.079 0.000 0.926 97 E CB 0.493 30.220 29.700 0.046 0.000 0.934 97 E HN 0.606 nan 8.360 nan 0.000 0.452 98 E N 2.700 122.921 120.200 0.035 0.000 2.442 98 E HA 0.080 4.431 4.350 0.001 0.000 0.262 98 E C 0.282 176.833 176.600 -0.083 0.000 1.004 98 E CA 0.510 56.895 56.400 -0.025 0.000 0.928 98 E CB 0.400 30.082 29.700 -0.030 0.000 0.937 98 E HN 0.726 nan 8.360 nan 0.000 0.446 99 A N 3.580 126.298 122.820 -0.170 0.000 2.640 99 A HA -0.224 4.097 4.320 0.001 0.000 0.300 99 A C 0.028 177.520 177.584 -0.154 0.000 1.499 99 A CA 0.956 52.849 52.037 -0.240 0.000 0.759 99 A CB -1.624 17.242 19.000 -0.223 0.000 1.048 99 A HN 0.528 nan 8.150 nan 0.000 0.450 100 N N -0.338 118.295 118.700 -0.112 0.000 2.762 100 N HA 0.376 5.117 4.740 0.001 0.000 0.252 100 N C 0.432 175.912 175.510 -0.050 0.000 1.269 100 N CA -0.224 52.795 53.050 -0.051 0.000 0.799 100 N CB 0.555 39.035 38.487 -0.013 0.000 1.173 100 N HN 0.376 nan 8.380 nan 0.000 0.516 101 L N 4.468 125.677 121.223 -0.024 0.000 2.017 101 L HA 0.185 4.526 4.340 0.001 0.000 0.208 101 L C -0.988 175.821 176.870 -0.101 0.000 1.073 101 L CA 2.076 56.904 54.840 -0.019 0.000 0.745 101 L CB -0.908 41.217 42.059 0.109 0.000 0.894 101 L HN 0.329 nan 8.230 nan 0.000 0.432 102 P HA -0.118 nan 4.420 nan 0.000 0.216 102 P C 1.602 178.881 177.300 -0.036 0.000 1.153 102 P CA 1.869 64.955 63.100 -0.023 0.000 0.858 102 P CB -0.405 31.339 31.700 0.073 0.000 0.789 103 G N -0.467 108.326 108.800 -0.011 0.000 2.422 103 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 103 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 103 G C 1.416 176.328 174.900 0.021 0.000 1.140 103 G CA 0.370 45.482 45.100 0.020 0.000 0.775 103 G HN 0.221 nan 8.290 nan 0.000 0.545 104 L N 0.354 121.533 121.223 -0.073 0.000 2.072 104 L HA 0.248 4.589 4.340 0.001 0.000 0.205 104 L C 2.581 179.330 176.870 -0.202 0.000 1.079 104 L CA 1.209 55.916 54.840 -0.221 0.000 0.752 104 L CB -0.506 41.297 42.059 -0.426 0.000 0.906 104 L HN 0.170 nan 8.230 nan 0.000 0.436 105 L N -0.342 120.754 121.223 -0.212 0.000 2.131 105 L HA -0.159 4.182 4.340 0.001 0.000 0.210 105 L C 2.657 179.470 176.870 -0.095 0.000 1.092 105 L CA 1.007 55.716 54.840 -0.219 0.000 0.759 105 L CB -0.899 40.923 42.059 -0.396 0.000 0.903 105 L HN 0.388 nan 8.230 nan 0.000 0.435 106 A N -0.763 122.026 122.820 -0.051 0.000 1.940 106 A HA -0.204 4.116 4.320 0.001 0.000 0.219 106 A C 2.504 180.098 177.584 0.016 0.000 1.176 106 A CA 2.265 54.304 52.037 0.005 0.000 0.631 106 A CB -0.435 18.580 19.000 0.024 0.000 0.814 106 A HN 0.389 nan 8.150 nan 0.000 0.446 107 S N -0.459 115.255 115.700 0.023 0.000 2.356 107 S HA -0.023 4.447 4.470 0.001 0.000 0.219 107 S C 1.529 176.123 174.600 -0.011 0.000 1.036 107 S CA 1.246 59.472 58.200 0.043 0.000 0.965 107 S CB -0.313 62.999 63.200 0.186 0.000 0.864 107 S HN 0.760 nan 8.310 nan 0.000 0.471 108 I N -0.851 119.682 120.570 -0.060 0.000 3.812 108 I HA 0.552 4.722 4.170 0.001 0.000 0.320 108 I C 0.663 176.813 176.117 0.056 0.000 1.276 108 I CA -0.405 60.887 61.300 -0.012 0.000 1.164 108 I CB -0.005 37.910 38.000 -0.142 0.000 1.009 108 I HN 0.114 nan 8.210 nan 0.000 0.431 109 A N -0.149 122.678 122.820 0.013 0.000 2.758 109 A HA 0.790 5.111 4.320 0.001 0.000 0.223 109 A C 0.719 178.431 177.584 0.213 0.000 0.877 109 A CA 0.014 52.138 52.037 0.145 0.000 1.152 109 A CB -0.758 18.370 19.000 0.214 0.000 1.239 109 A HN 0.390 nan 8.150 nan 0.000 0.470 110 G N 0.217 109.052 108.800 0.058 0.000 3.345 110 G HA2 0.252 4.212 3.960 0.001 0.000 0.202 110 G HA3 0.252 4.212 3.960 0.001 0.000 0.202 110 G C 0.772 175.733 174.900 0.101 0.000 1.740 110 G CA 0.407 45.567 45.100 0.100 0.000 0.806 110 G HN 0.182 nan 8.290 nan 0.000 0.718 111 N N 1.320 120.045 118.700 0.041 0.000 2.137 111 N HA -0.147 4.593 4.740 0.001 0.000 0.190 111 N C 2.416 177.921 175.510 -0.009 0.000 1.017 111 N CA 1.499 54.571 53.050 0.037 0.000 0.859 111 N CB -0.544 37.955 38.487 0.021 0.000 1.002 111 N HN 0.614 nan 8.380 nan 0.000 0.428 112 I N -2.279 118.211 120.570 -0.133 0.000 2.381 112 I HA -0.250 3.921 4.170 0.001 0.000 0.255 112 I C 1.372 177.358 176.117 -0.219 0.000 1.140 112 I CA 1.457 62.602 61.300 -0.259 0.000 1.404 112 I CB -0.742 36.981 38.000 -0.462 0.000 1.075 112 I HN -0.183 nan 8.210 nan 0.000 0.433 113 F N 2.210 122.160 119.950 -0.000 0.000 2.502 113 F HA 0.105 4.633 4.527 0.001 0.000 0.298 113 F C 2.452 178.345 175.800 0.156 0.000 1.111 113 F CA 1.179 59.223 58.000 0.073 0.000 1.445 113 F CB -0.546 38.476 39.000 0.036 0.000 1.081 113 F HN 0.168 nan 8.300 nan 0.000 0.558 114 G N -1.097 107.834 108.800 0.218 0.000 3.126 114 G HA2 0.163 4.124 3.960 0.001 0.000 0.224 114 G HA3 0.163 4.124 3.960 0.001 0.000 0.224 114 G C 0.657 175.593 174.900 0.060 0.000 1.142 114 G CA -0.314 44.871 45.100 0.142 0.000 0.759 114 G HN 0.047 nan 8.290 nan 0.000 0.550 115 M N 0.669 120.283 119.600 0.023 0.000 2.248 115 M HA 0.136 4.617 4.480 0.001 0.000 0.345 115 M C 1.268 177.546 176.300 -0.037 0.000 1.243 115 M CA 0.349 55.629 55.300 -0.033 0.000 1.090 115 M CB 1.120 33.668 32.600 -0.088 0.000 1.683 115 M HN -0.047 nan 8.290 nan 0.000 0.450 116 K N 1.374 121.740 120.400 -0.057 0.000 2.288 116 K HA -0.096 4.224 4.320 0.001 0.000 0.201 116 K C 1.821 178.356 176.600 -0.110 0.000 1.048 116 K CA 0.949 57.204 56.287 -0.053 0.000 0.956 116 K CB 0.007 32.484 32.500 -0.038 0.000 0.746 116 K HN 0.507 nan 8.250 nan 0.000 0.461 117 R N 1.213 121.581 120.500 -0.219 0.000 2.280 117 R HA -0.046 4.295 4.340 0.001 0.000 0.207 117 R C 0.126 176.281 176.300 -0.243 0.000 1.043 117 R CA 0.513 56.349 56.100 -0.440 0.000 1.006 117 R CB 0.230 30.202 30.300 -0.547 0.000 0.885 117 R HN 0.019 nan 8.270 nan 0.000 0.467 118 V N -1.729 118.119 119.914 -0.111 0.000 2.555 118 V HA 0.335 4.455 4.120 0.001 0.000 0.302 118 V C 0.542 176.657 176.094 0.036 0.000 1.038 118 V CA -0.953 61.336 62.300 -0.018 0.000 0.887 118 V CB 1.969 33.791 31.823 -0.001 0.000 0.991 118 V HN 0.018 nan 8.190 nan 0.000 0.434 119 K N 3.176 123.616 120.400 0.067 0.000 2.228 119 K HA 0.367 4.688 4.320 0.001 0.000 0.202 119 K C 0.693 177.343 176.600 0.084 0.000 1.051 119 K CA 1.135 57.458 56.287 0.059 0.000 0.960 119 K CB 0.158 32.694 32.500 0.059 0.000 0.743 119 K HN 1.120 nan 8.250 nan 0.000 0.458 120 G N 0.717 109.626 108.800 0.181 0.000 2.755 120 G HA2 0.477 4.437 3.960 0.001 0.000 0.297 120 G HA3 0.477 4.437 3.960 0.001 0.000 0.297 120 G C -2.418 172.728 174.900 0.410 0.000 1.441 120 G CA -0.690 44.625 45.100 0.357 0.000 0.964 120 G HN 0.059 nan 8.290 nan 0.000 0.540 121 L N 1.462 123.029 121.223 0.573 0.000 2.439 121 L HA 0.777 5.118 4.340 0.001 0.000 0.270 121 L C -0.692 176.408 176.870 0.384 0.000 0.972 121 L CA -0.830 54.214 54.840 0.340 0.000 0.836 121 L CB 1.848 43.992 42.059 0.140 0.000 1.255 121 L HN 0.476 nan 8.230 nan 0.000 0.404 122 R N 4.659 125.396 120.500 0.396 0.000 2.388 122 R HA 0.400 4.740 4.340 0.001 0.000 0.314 122 R C -1.410 175.119 176.300 0.382 0.000 0.959 122 R CA -0.934 55.381 56.100 0.358 0.000 0.851 122 R CB 1.386 31.828 30.300 0.236 0.000 1.168 122 R HN 0.667 nan 8.270 nan 0.000 0.472 123 L N 5.298 126.766 121.223 0.408 0.000 2.485 123 L HA 0.124 4.464 4.340 0.001 0.000 0.279 123 L C 1.089 177.993 176.870 0.057 0.000 1.124 123 L CA 0.737 55.643 54.840 0.110 0.000 0.888 123 L CB 0.539 42.705 42.059 0.178 0.000 1.217 123 L HN 0.546 nan 8.230 nan 0.000 0.464 124 E N 2.272 122.464 120.200 -0.013 0.000 2.122 124 E HA 0.052 4.402 4.350 0.001 0.000 0.190 124 E C -0.098 176.570 176.600 0.114 0.000 0.977 124 E CA 0.541 56.972 56.400 0.052 0.000 0.820 124 E CB 0.340 30.069 29.700 0.048 0.000 0.770 124 E HN 0.696 nan 8.360 nan 0.000 0.462 125 D N -1.098 119.327 120.400 0.041 0.000 2.648 125 D HA 0.320 4.960 4.640 0.001 0.000 0.244 125 D C -1.655 174.655 176.300 0.016 0.000 1.244 125 D CA -0.472 53.619 54.000 0.152 0.000 0.772 125 D CB 1.314 42.255 40.800 0.234 0.000 1.379 125 D HN -0.143 nan 8.370 nan 0.000 0.428 126 L N 3.168 124.391 121.223 0.001 0.000 2.372 126 L HA 0.360 4.701 4.340 0.001 0.000 0.273 126 L C -1.104 175.746 176.870 -0.033 0.000 0.989 126 L CA -1.019 53.781 54.840 -0.066 0.000 0.841 126 L CB 1.483 43.380 42.059 -0.270 0.000 1.225 126 L HN 0.429 nan 8.230 nan 0.000 0.414 127 Y N 4.498 124.841 120.300 0.071 0.000 2.336 127 Y HA 0.435 4.986 4.550 0.001 0.000 0.335 127 Y C -1.097 175.017 175.900 0.357 0.000 1.046 127 Y CA -0.230 57.947 58.100 0.128 0.000 1.198 127 Y CB 0.586 39.142 38.460 0.160 0.000 1.182 127 Y HN 0.257 nan 8.280 nan 0.000 0.502 128 F N 8.281 127.731 119.950 -0.834 0.000 2.426 128 F HA 0.438 4.965 4.527 0.001 0.000 0.348 128 F C -2.119 173.127 175.800 -0.922 0.000 1.124 128 F CA -3.505 54.097 58.000 -0.662 0.000 1.008 128 F CB 1.192 39.954 39.000 -0.397 0.000 1.139 128 F HN 0.450 nan 8.300 nan 0.000 0.452 129 P HA 0.021 nan 4.420 nan 0.000 0.272 129 P C 0.742 177.952 177.300 -0.149 0.000 1.240 129 P CA -0.056 62.939 63.100 -0.175 0.000 0.791 129 P CB 1.045 32.756 31.700 0.019 0.000 0.978 130 E N 1.107 121.262 120.200 -0.075 0.000 2.171 130 E HA -0.257 4.094 4.350 0.001 0.000 0.197 130 E C 1.819 178.243 176.600 -0.293 0.000 0.997 130 E CA 1.392 57.661 56.400 -0.218 0.000 0.810 130 E CB -0.090 29.388 29.700 -0.369 0.000 0.738 130 E HN 0.347 nan 8.360 nan 0.000 0.467 131 K N -0.094 120.123 120.400 -0.304 0.000 2.063 131 K HA -0.187 4.134 4.320 0.001 0.000 0.208 131 K C 2.041 178.437 176.600 -0.341 0.000 1.048 131 K CA 1.252 57.306 56.287 -0.389 0.000 0.928 131 K CB 0.008 32.114 32.500 -0.657 0.000 0.713 131 K HN 0.098 nan 8.250 nan 0.000 0.442 132 L N 0.918 121.949 121.223 -0.320 0.000 2.131 132 L HA -0.105 4.236 4.340 0.001 0.000 0.206 132 L C 2.086 178.967 176.870 0.018 0.000 1.087 132 L CA 0.903 55.585 54.840 -0.264 0.000 0.767 132 L CB -0.376 41.365 42.059 -0.530 0.000 0.917 132 L HN 0.205 nan 8.230 nan 0.000 0.441 133 I N -0.102 120.493 120.570 0.041 0.000 2.194 133 I HA -0.309 3.862 4.170 0.001 0.000 0.246 133 I C 2.286 178.486 176.117 0.138 0.000 1.093 133 I CA 1.520 62.911 61.300 0.152 0.000 1.355 133 I CB -0.990 37.041 38.000 0.052 0.000 1.046 133 I HN 0.347 nan 8.210 nan 0.000 0.413 134 R N 0.462 120.935 120.500 -0.045 0.000 2.323 134 R HA -0.040 4.300 4.340 0.001 0.000 0.198 134 R C 1.458 177.703 176.300 -0.090 0.000 0.988 134 R CA 0.200 56.254 56.100 -0.077 0.000 1.041 134 R CB -0.073 30.125 30.300 -0.170 0.000 0.926 134 R HN 0.494 nan 8.270 nan 0.000 0.476 135 E N -0.287 119.832 120.200 -0.135 0.000 2.502 135 E HA 0.026 4.376 4.350 0.001 0.000 0.194 135 E C -0.502 175.827 176.600 -0.452 0.000 1.062 135 E CA 0.321 56.533 56.400 -0.313 0.000 0.867 135 E CB 0.286 29.718 29.700 -0.446 0.000 0.888 135 E HN 0.078 nan 8.360 nan 0.000 0.510 136 F N -0.442 119.495 119.950 -0.021 0.000 2.556 136 F HA 0.235 4.763 4.527 0.001 0.000 0.327 136 F C 1.135 176.943 175.800 0.013 0.000 1.059 136 F CA -0.920 57.089 58.000 0.014 0.000 0.953 136 F CB 1.341 40.370 39.000 0.048 0.000 1.227 136 F HN -0.244 nan 8.300 nan 0.000 0.478 137 D N 0.253 120.787 120.400 0.224 0.000 2.380 137 D HA 0.247 4.887 4.640 0.001 0.000 0.212 137 D C 1.144 177.517 176.300 0.122 0.000 1.021 137 D CA 1.247 55.320 54.000 0.122 0.000 0.884 137 D CB 0.369 41.212 40.800 0.072 0.000 1.001 137 D HN 0.732 nan 8.370 nan 0.000 0.506 138 G N 1.423 110.314 108.800 0.152 0.000 2.782 138 G HA2 -0.204 3.757 3.960 0.001 0.000 0.228 138 G HA3 -0.204 3.757 3.960 0.001 0.000 0.228 138 G C -2.672 172.270 174.900 0.070 0.000 1.372 138 G CA -1.010 44.151 45.100 0.102 0.000 0.862 138 G HN -0.020 nan 8.290 nan 0.000 0.547 139 P HA 0.404 nan 4.420 nan 0.000 0.265 139 P C 0.786 178.109 177.300 0.039 0.000 1.193 139 P CA 0.911 64.043 63.100 0.053 0.000 0.765 139 P CB 0.939 32.664 31.700 0.042 0.000 0.823 140 A N 2.268 125.118 122.820 0.050 0.000 1.970 140 A HA -0.044 4.276 4.320 0.001 0.000 0.216 140 A C 1.356 178.826 177.584 -0.190 0.000 1.170 140 A CA 1.342 53.341 52.037 -0.064 0.000 0.645 140 A CB -1.017 17.942 19.000 -0.069 0.000 0.816 140 A HN 0.492 nan 8.150 nan 0.000 0.447 141 F N -1.098 118.843 119.950 -0.017 0.000 2.399 141 F HA 0.415 4.943 4.527 0.001 0.000 0.282 141 F C 1.771 177.567 175.800 -0.007 0.000 1.027 141 F CA 0.776 58.770 58.000 -0.010 0.000 1.333 141 F CB -0.489 38.502 39.000 -0.016 0.000 1.132 141 F HN 0.446 nan 8.300 nan 0.000 0.590 142 G N 1.114 110.030 108.800 0.194 0.000 2.752 142 G HA2 -0.283 3.678 3.960 0.001 0.000 0.234 142 G HA3 -0.283 3.678 3.960 0.001 0.000 0.234 142 G C 0.730 175.660 174.900 0.050 0.000 1.367 142 G CA -0.082 45.060 45.100 0.069 0.000 0.879 142 G HN 0.250 nan 8.290 nan 0.000 0.563 143 I N 0.550 121.034 120.570 -0.144 0.000 2.163 143 I HA -0.107 4.063 4.170 0.001 0.000 0.243 143 I C 3.349 179.381 176.117 -0.141 0.000 1.085 143 I CA 2.898 63.947 61.300 -0.418 0.000 1.347 143 I CB -0.920 36.654 38.000 -0.709 0.000 1.044 143 I HN 0.932 nan 8.210 nan 0.000 0.408 144 E N 1.175 121.331 120.200 -0.074 0.000 2.058 144 E HA -0.182 4.169 4.350 0.001 0.000 0.194 144 E C 2.321 178.977 176.600 0.094 0.000 0.997 144 E CA 1.542 57.944 56.400 0.003 0.000 0.801 144 E CB -1.654 28.041 29.700 -0.008 0.000 0.746 144 E HN 0.640 nan 8.360 nan 0.000 0.450 145 G N 0.062 108.949 108.800 0.145 0.000 2.418 145 G HA2 -0.122 3.839 3.960 0.001 0.000 0.217 145 G HA3 -0.122 3.839 3.960 0.001 0.000 0.217 145 G C 1.958 177.068 174.900 0.351 0.000 1.158 145 G CA 1.423 46.699 45.100 0.293 0.000 0.771 145 G HN 0.462 nan 8.290 nan 0.000 0.545 146 V N 0.501 120.590 119.914 0.292 0.000 2.323 146 V HA -0.108 4.013 4.120 0.001 0.000 0.244 146 V C 2.885 179.135 176.094 0.261 0.000 1.041 146 V CA 1.757 64.213 62.300 0.260 0.000 1.025 146 V CB -0.495 31.551 31.823 0.372 0.000 0.656 146 V HN 0.281 nan 8.190 nan 0.000 0.451 147 R N 0.166 120.843 120.500 0.294 0.000 2.096 147 R HA -0.253 4.087 4.340 0.001 0.000 0.240 147 R C 2.434 178.831 176.300 0.162 0.000 1.139 147 R CA 2.056 58.295 56.100 0.233 0.000 0.952 147 R CB -0.412 30.004 30.300 0.193 0.000 0.854 147 R HN 0.454 nan 8.270 nan 0.000 0.436 148 K N 1.032 121.522 120.400 0.149 0.000 2.032 148 K HA -0.206 4.114 4.320 0.001 0.000 0.209 148 K C 2.260 178.940 176.600 0.133 0.000 1.048 148 K CA 1.870 58.233 56.287 0.126 0.000 0.927 148 K CB -0.139 32.435 32.500 0.123 0.000 0.712 148 K HN 0.111 nan 8.250 nan 0.000 0.441 149 M N 0.327 120.023 119.600 0.161 0.000 2.082 149 M HA -0.184 4.296 4.480 0.001 0.000 0.258 149 M C 1.248 177.617 176.300 0.116 0.000 1.069 149 M CA 1.781 57.162 55.300 0.136 0.000 1.102 149 M CB -0.061 32.597 32.600 0.097 0.000 1.336 149 M HN 0.163 nan 8.290 nan 0.000 0.404 150 L N 0.090 121.389 121.223 0.126 0.000 2.607 150 L HA 0.185 4.525 4.340 0.001 0.000 0.228 150 L C 0.102 177.027 176.870 0.092 0.000 1.123 150 L CA -0.025 54.880 54.840 0.109 0.000 0.890 150 L CB -0.392 41.738 42.059 0.120 0.000 1.103 150 L HN 0.407 nan 8.230 nan 0.000 0.468 151 E N 1.126 121.383 120.200 0.094 0.000 2.269 151 E HA -0.223 4.128 4.350 0.001 0.000 0.223 151 E C -0.340 176.305 176.600 0.075 0.000 1.244 151 E CA 0.356 56.803 56.400 0.078 0.000 0.713 151 E CB -1.284 28.453 29.700 0.062 0.000 1.178 151 E HN 0.481 nan 8.360 nan 0.000 0.370 152 I N -0.651 119.976 120.570 0.094 0.000 2.382 152 I HA 0.235 4.406 4.170 0.001 0.000 0.286 152 I C 1.134 177.313 176.117 0.104 0.000 1.002 152 I CA -0.109 61.246 61.300 0.093 0.000 1.135 152 I CB 1.339 39.400 38.000 0.102 0.000 1.288 152 I HN 0.127 nan 8.210 nan 0.000 0.448 153 K N 3.626 124.074 120.400 0.079 0.000 2.168 153 K HA 0.065 4.386 4.320 0.001 0.000 0.201 153 K C 0.995 177.637 176.600 0.070 0.000 1.049 153 K CA 1.108 57.438 56.287 0.070 0.000 0.974 153 K CB -0.069 32.461 32.500 0.049 0.000 0.792 153 K HN 0.689 nan 8.250 nan 0.000 0.463 154 D N -0.975 119.464 120.400 0.065 0.000 2.932 154 D HA 0.056 4.697 4.640 0.001 0.000 0.294 154 D C 0.599 176.938 176.300 0.066 0.000 1.119 154 D CA -0.082 53.951 54.000 0.055 0.000 0.980 154 D CB 0.175 40.995 40.800 0.033 0.000 1.361 154 D HN 0.462 nan 8.370 nan 0.000 0.466 155 R N 2.724 123.257 120.500 0.056 0.000 2.784 155 R HA 0.226 4.566 4.340 0.001 0.000 0.266 155 R C -2.461 173.890 176.300 0.086 0.000 1.044 155 R CA -0.847 55.283 56.100 0.049 0.000 1.151 155 R CB -0.821 29.495 30.300 0.026 0.000 1.037 155 R HN -0.070 nan 8.270 nan 0.000 0.478 156 P HA 0.053 nan 4.420 nan 0.000 0.272 156 P C -0.188 177.156 177.300 0.073 0.000 1.230 156 P CA -0.267 62.888 63.100 0.092 0.000 0.788 156 P CB 0.469 32.206 31.700 0.062 0.000 0.949 157 I N 1.669 122.254 120.570 0.025 0.000 2.638 157 I HA 0.122 4.293 4.170 0.001 0.000 0.286 157 I C 0.279 176.489 176.117 0.155 0.000 1.088 157 I CA -0.191 61.142 61.300 0.054 0.000 1.397 157 I CB -0.705 37.260 38.000 -0.060 0.000 1.414 157 I HN 0.435 nan 8.210 nan 0.000 0.566 158 Y N 3.881 124.174 120.300 -0.012 0.000 2.361 158 Y HA 0.734 5.285 4.550 0.001 0.000 0.337 158 Y C -0.302 175.260 175.900 -0.563 0.000 0.965 158 Y CA -0.869 57.140 58.100 -0.151 0.000 1.091 158 Y CB 1.649 40.018 38.460 -0.151 0.000 1.182 158 Y HN 0.671 nan 8.280 nan 0.000 0.450 159 G N 3.137 111.074 108.800 -1.438 0.000 2.694 159 G HA2 0.638 4.598 3.960 0.001 0.000 0.290 159 G HA3 0.638 4.598 3.960 0.001 0.000 0.290 159 G C -2.297 171.861 174.900 -1.238 0.000 1.386 159 G CA -0.998 42.521 45.100 -2.635 0.000 0.872 159 G HN 0.609 nan 8.290 nan 0.000 0.475 160 V N 0.179 119.567 119.914 -0.878 0.000 2.638 160 V HA 0.462 4.582 4.120 0.001 0.000 0.306 160 V C -0.304 175.708 176.094 -0.136 0.000 1.052 160 V CA -0.735 61.348 62.300 -0.362 0.000 0.885 160 V CB 1.767 33.402 31.823 -0.313 0.000 0.999 160 V HN 0.592 nan 8.190 nan 0.000 0.424 161 V N 6.861 126.767 119.914 -0.013 0.000 2.406 161 V HA 0.317 4.437 4.120 0.001 0.000 0.272 161 V C -2.246 173.869 176.094 0.035 0.000 1.043 161 V CA -1.933 60.402 62.300 0.059 0.000 0.915 161 V CB 1.599 33.487 31.823 0.108 0.000 0.988 161 V HN 0.740 nan 8.190 nan 0.000 0.466 162 P HA 0.152 nan 4.420 nan 0.000 0.267 162 P C -0.646 176.654 177.300 -0.000 0.000 1.209 162 P CA 0.054 63.112 63.100 -0.069 0.000 0.763 162 P CB 0.334 31.877 31.700 -0.261 0.000 0.816 163 K N 4.305 124.698 120.400 -0.011 0.000 2.270 163 K HA 0.466 4.787 4.320 0.001 0.000 0.255 163 K C -2.190 174.429 176.600 0.031 0.000 0.936 163 K CA -2.095 54.219 56.287 0.046 0.000 0.809 163 K CB 0.699 33.228 32.500 0.048 0.000 1.131 163 K HN 0.324 nan 8.250 nan 0.000 0.427 164 P HA 0.107 nan 4.420 nan 0.000 0.269 164 P C 0.339 177.757 177.300 0.196 0.000 1.217 164 P CA -0.179 62.992 63.100 0.118 0.000 0.783 164 P CB 0.925 32.687 31.700 0.102 0.000 0.898 165 K N 0.048 120.529 120.400 0.134 0.000 2.015 165 K HA -0.097 4.224 4.320 0.001 0.000 0.216 165 K C 1.127 177.820 176.600 0.156 0.000 1.052 165 K CA 1.827 58.195 56.287 0.135 0.000 0.937 165 K CB -0.515 32.025 32.500 0.065 0.000 0.719 165 K HN 0.526 nan 8.250 nan 0.000 0.446 166 V N -5.759 114.187 119.914 0.053 0.000 3.158 166 V HA 0.784 4.905 4.120 0.001 0.000 0.311 166 V C 0.420 176.403 176.094 -0.185 0.000 1.181 166 V CA -0.386 61.856 62.300 -0.097 0.000 1.054 166 V CB 1.465 33.266 31.823 -0.036 0.000 1.085 166 V HN 0.480 nan 8.190 nan 0.000 0.446 167 G N 0.139 108.658 108.800 -0.468 0.000 2.148 167 G HA2 -0.130 3.831 3.960 0.001 0.000 0.203 167 G HA3 -0.130 3.831 3.960 0.001 0.000 0.203 167 G C -0.458 174.315 174.900 -0.211 0.000 0.993 167 G CA 0.276 45.079 45.100 -0.495 0.000 0.661 167 G HN 2.198 nan 8.290 nan 0.000 0.518 168 Y N 0.572 120.814 120.300 -0.096 0.000 2.549 168 Y HA 0.852 5.402 4.550 0.001 0.000 0.339 168 Y C 0.392 176.307 175.900 0.024 0.000 1.053 168 Y CA -1.200 56.888 58.100 -0.021 0.000 1.105 168 Y CB 1.058 39.531 38.460 0.021 0.000 1.258 168 Y HN 0.555 nan 8.280 nan 0.000 0.478 169 S N 0.089 115.924 115.700 0.225 0.000 2.687 169 S HA 0.459 4.930 4.470 0.001 0.000 0.283 169 S C -2.241 172.494 174.600 0.224 0.000 1.170 169 S CA -1.438 56.847 58.200 0.142 0.000 1.008 169 S CB 1.687 64.954 63.200 0.112 0.000 1.026 169 S HN 0.562 nan 8.310 nan 0.000 0.541 170 P HA -0.048 nan 4.420 nan 0.000 0.216 170 P C 0.891 178.304 177.300 0.187 0.000 1.150 170 P CA 1.203 64.407 63.100 0.174 0.000 0.837 170 P CB 0.006 31.747 31.700 0.068 0.000 0.786 171 E N -0.126 120.142 120.200 0.114 0.000 2.072 171 E HA -0.166 4.185 4.350 0.001 0.000 0.191 171 E C 1.946 178.583 176.600 0.062 0.000 0.985 171 E CA 1.137 57.575 56.400 0.063 0.000 0.801 171 E CB -0.676 29.051 29.700 0.044 0.000 0.750 171 E HN 0.392 nan 8.360 nan 0.000 0.452 172 E N -0.318 119.948 120.200 0.109 0.000 2.150 172 E HA -0.156 4.195 4.350 0.001 0.000 0.193 172 E C 1.668 178.316 176.600 0.081 0.000 0.985 172 E CA 0.686 57.138 56.400 0.087 0.000 0.814 172 E CB -0.147 29.625 29.700 0.121 0.000 0.752 172 E HN 0.214 nan 8.360 nan 0.000 0.466 173 F N 2.102 122.060 119.950 0.013 0.000 2.146 173 F HA -0.141 4.386 4.527 0.001 0.000 0.298 173 F C 2.208 177.953 175.800 -0.091 0.000 1.096 173 F CA 1.711 59.681 58.000 -0.049 0.000 1.275 173 F CB -0.135 38.910 39.000 0.075 0.000 1.008 173 F HN -0.085 nan 8.300 nan 0.000 0.480 174 E N 0.534 120.586 120.200 -0.246 0.000 2.085 174 E HA -0.317 4.033 4.350 0.001 0.000 0.194 174 E C 2.353 178.785 176.600 -0.280 0.000 0.994 174 E CA 1.739 57.926 56.400 -0.355 0.000 0.801 174 E CB -0.341 29.255 29.700 -0.173 0.000 0.743 174 E HN 0.511 nan 8.360 nan 0.000 0.453 175 K N 0.152 120.452 120.400 -0.167 0.000 2.057 175 K HA -0.169 4.152 4.320 0.001 0.000 0.206 175 K C 2.332 178.873 176.600 -0.099 0.000 1.050 175 K CA 1.156 57.384 56.287 -0.098 0.000 0.935 175 K CB -0.189 32.275 32.500 -0.061 0.000 0.715 175 K HN 0.194 nan 8.250 nan 0.000 0.439 176 L N 1.165 122.290 121.223 -0.163 0.000 2.017 176 L HA -0.087 4.254 4.340 0.001 0.000 0.208 176 L C 2.261 178.987 176.870 -0.241 0.000 1.073 176 L CA 2.081 56.816 54.840 -0.175 0.000 0.745 176 L CB -0.728 41.225 42.059 -0.178 0.000 0.894 176 L HN 0.254 nan 8.230 nan 0.000 0.432 177 A N -1.125 121.444 122.820 -0.419 0.000 1.873 177 A HA -0.329 3.992 4.320 0.001 0.000 0.218 177 A C 2.312 179.743 177.584 -0.256 0.000 1.193 177 A CA 2.114 53.877 52.037 -0.456 0.000 0.629 177 A CB -1.398 17.116 19.000 -0.809 0.000 0.826 177 A HN 0.639 nan 8.150 nan 0.000 0.447 178 Y N 1.294 121.411 120.300 -0.305 0.000 2.081 178 Y HA -0.279 4.272 4.550 0.001 0.000 0.280 178 Y C 2.042 177.842 175.900 -0.166 0.000 1.163 178 Y CA 2.279 60.252 58.100 -0.211 0.000 1.135 178 Y CB -0.400 37.953 38.460 -0.178 0.000 0.970 178 Y HN 0.391 nan 8.280 nan 0.000 0.498 179 D N 0.018 120.325 120.400 -0.155 0.000 2.117 179 D HA -0.194 4.446 4.640 0.001 0.000 0.197 179 D C 2.406 178.572 176.300 -0.223 0.000 0.987 179 D CA 1.666 55.544 54.000 -0.204 0.000 0.829 179 D CB -0.503 40.244 40.800 -0.088 0.000 0.961 179 D HN 0.405 nan 8.370 nan 0.000 0.460 180 L N 0.171 121.273 121.223 -0.202 0.000 2.005 180 L HA -0.121 4.220 4.340 0.001 0.000 0.207 180 L C 2.614 179.353 176.870 -0.219 0.000 1.072 180 L CA 0.750 55.475 54.840 -0.192 0.000 0.744 180 L CB -0.408 41.527 42.059 -0.207 0.000 0.895 180 L HN 0.037 nan 8.230 nan 0.000 0.433 181 L N -1.021 120.049 121.223 -0.255 0.000 2.056 181 L HA -0.160 4.181 4.340 0.001 0.000 0.207 181 L C 2.582 179.310 176.870 -0.236 0.000 1.078 181 L CA 0.969 55.666 54.840 -0.238 0.000 0.749 181 L CB -0.524 41.406 42.059 -0.217 0.000 0.901 181 L HN 0.171 nan 8.230 nan 0.000 0.433 182 S N -0.353 115.142 115.700 -0.342 0.000 2.500 182 S HA -0.079 4.391 4.470 0.001 0.000 0.239 182 S C 1.259 175.723 174.600 -0.227 0.000 0.989 182 S CA 0.800 58.783 58.200 -0.360 0.000 0.951 182 S CB -0.277 62.533 63.200 -0.649 0.000 0.759 182 S HN 0.463 nan 8.310 nan 0.000 0.523 183 N N -0.372 118.218 118.700 -0.183 0.000 2.235 183 N HA 0.231 4.972 4.740 0.001 0.000 0.231 183 N C 0.800 176.274 175.510 -0.060 0.000 1.177 183 N CA 0.522 53.502 53.050 -0.117 0.000 0.874 183 N CB 1.370 39.788 38.487 -0.116 0.000 1.097 183 N HN 0.450 nan 8.380 nan 0.000 0.518 184 G N 0.459 109.229 108.800 -0.051 0.000 2.260 184 G HA2 -0.162 3.799 3.960 0.001 0.000 0.179 184 G HA3 -0.162 3.799 3.960 0.001 0.000 0.179 184 G C 0.086 175.033 174.900 0.079 0.000 1.002 184 G CA -0.082 45.029 45.100 0.018 0.000 0.677 184 G HN 0.391 nan 8.290 nan 0.000 0.486 185 A N 0.736 123.520 122.820 -0.061 0.000 2.409 185 A HA 0.575 4.895 4.320 0.001 0.000 0.267 185 A C 1.052 178.443 177.584 -0.321 0.000 1.127 185 A CA 0.581 52.403 52.037 -0.359 0.000 0.795 185 A CB 0.355 19.043 19.000 -0.520 0.000 1.061 185 A HN 0.130 nan 8.150 nan 0.000 0.502 186 D N 0.223 120.400 120.400 -0.371 0.000 2.234 186 D HA 0.088 4.728 4.640 0.001 0.000 0.205 186 D C -0.056 176.149 176.300 -0.158 0.000 0.962 186 D CA 1.894 55.791 54.000 -0.171 0.000 0.855 186 D CB -0.017 40.771 40.800 -0.020 0.000 0.951 186 D HN 0.721 nan 8.370 nan 0.000 0.500 187 Y N -2.346 117.709 120.300 -0.407 0.000 2.641 187 Y HA 0.487 5.037 4.550 0.001 0.000 0.333 187 Y C -0.927 174.679 175.900 -0.490 0.000 1.174 187 Y CA -1.439 56.366 58.100 -0.492 0.000 1.057 187 Y CB 0.580 38.532 38.460 -0.846 0.000 1.322 187 Y HN -0.399 nan 8.280 nan 0.000 0.457 191 D N 1.186 121.626 120.400 0.067 0.000 2.382 191 D HA 0.018 4.659 4.640 0.001 0.000 0.245 191 D C 1.498 177.735 176.300 -0.106 0.000 1.120 191 D CA -0.056 53.947 54.000 0.004 0.000 0.890 191 D CB 1.115 41.941 40.800 0.043 0.000 1.201 191 D HN 0.376 nan 8.370 nan 0.000 0.433 192 E N 2.965 122.992 120.200 -0.287 0.000 2.219 192 E HA -0.277 4.073 4.350 0.001 0.000 0.198 192 E C 0.677 177.157 176.600 -0.199 0.000 0.998 192 E CA 1.234 57.380 56.400 -0.424 0.000 0.818 192 E CB -0.318 28.850 29.700 -0.886 0.000 0.741 192 E HN 0.526 nan 8.360 nan 0.000 0.477 193 N N 0.829 119.457 118.700 -0.120 0.000 2.280 193 N HA -0.008 4.732 4.740 0.001 0.000 0.192 193 N C 0.339 175.821 175.510 -0.048 0.000 1.109 193 N CA -0.248 52.763 53.050 -0.066 0.000 0.855 193 N CB -0.260 38.205 38.487 -0.036 0.000 0.974 193 N HN 0.124 nan 8.380 nan 0.000 0.482 194 L N 2.226 123.420 121.223 -0.048 0.000 2.283 194 L HA 0.343 4.683 4.340 0.001 0.000 0.287 194 L C 0.809 177.653 176.870 -0.043 0.000 1.073 194 L CA 0.106 54.913 54.840 -0.055 0.000 0.822 194 L CB 0.498 42.532 42.059 -0.043 0.000 1.186 194 L HN 0.318 nan 8.230 nan 0.000 0.436 195 T N -0.105 114.408 114.554 -0.069 0.000 1.944 195 T HA 0.267 4.618 4.350 0.001 0.000 0.177 195 T C 0.475 175.163 174.700 -0.021 0.000 0.694 195 T CA 0.276 62.357 62.100 -0.032 0.000 1.337 195 T CB 0.163 68.995 68.868 -0.060 0.000 3.196 195 T HN 0.326 nan 8.240 nan 0.000 0.405 196 S N 3.003 118.660 115.700 -0.072 0.000 2.327 196 S HA 0.451 4.921 4.470 0.001 0.000 0.203 196 S C -2.603 171.891 174.600 -0.176 0.000 1.326 196 S CA -1.328 56.829 58.200 -0.072 0.000 1.248 196 S CB -0.195 63.012 63.200 0.013 0.000 1.199 196 S HN 0.521 nan 8.310 nan 0.000 0.422 197 P HA 0.162 nan 4.420 nan 0.000 0.275 197 P C 1.497 178.480 177.300 -0.529 0.000 1.266 197 P CA -0.670 62.113 63.100 -0.528 0.000 0.793 197 P CB 0.260 31.309 31.700 -1.085 0.000 1.074 198 W N 1.300 122.414 121.300 -0.310 0.000 2.374 198 W HA -0.207 4.454 4.660 0.001 0.000 0.288 198 W C 1.425 177.871 176.519 -0.121 0.000 1.218 198 W CA 1.043 58.307 57.345 -0.135 0.000 1.245 198 W CB -1.915 27.543 29.460 -0.003 0.000 1.126 198 W HN 0.369 nan 8.180 nan 0.000 0.545 199 Y N 0.123 119.875 120.300 -0.912 0.000 2.546 199 Y HA 0.341 4.892 4.550 0.001 0.000 0.287 199 Y C 0.637 176.278 175.900 -0.431 0.000 1.158 199 Y CA 0.466 58.041 58.100 -0.875 0.000 1.307 199 Y CB -0.903 36.695 38.460 -1.437 0.000 1.036 199 Y HN -0.111 nan 8.280 nan 0.000 0.532 200 N N 1.287 119.619 118.700 -0.612 0.000 2.946 200 N HA 0.071 4.811 4.740 0.001 0.000 0.213 200 N C -1.383 173.944 175.510 -0.305 0.000 1.440 200 N CA -0.230 52.588 53.050 -0.387 0.000 0.745 200 N CB 0.589 38.818 38.487 -0.430 0.000 1.471 200 N HN 0.067 nan 8.380 nan 0.000 0.569 201 R N 1.077 121.478 120.500 -0.165 0.000 2.623 201 R HA 0.068 4.408 4.340 0.001 0.000 0.271 201 R C 1.324 177.630 176.300 0.010 0.000 1.043 201 R CA -0.292 55.774 56.100 -0.057 0.000 1.083 201 R CB 0.139 30.438 30.300 -0.002 0.000 0.974 201 R HN 0.430 nan 8.270 nan 0.000 0.436 202 F N 2.527 122.449 119.950 -0.046 0.000 2.095 202 F HA -0.217 4.311 4.527 0.001 0.000 0.298 202 F C 1.837 177.686 175.800 0.082 0.000 1.104 202 F CA 1.826 59.847 58.000 0.036 0.000 1.232 202 F CB 0.200 39.220 39.000 0.034 0.000 0.987 202 F HN 0.596 nan 8.300 nan 0.000 0.475 203 E N 0.011 120.338 120.200 0.211 0.000 2.051 203 E HA -0.240 4.110 4.350 0.001 0.000 0.192 203 E C 2.078 178.672 176.600 -0.010 0.000 0.991 203 E CA 1.685 58.155 56.400 0.117 0.000 0.799 203 E CB -0.346 29.431 29.700 0.128 0.000 0.748 203 E HN 0.609 nan 8.360 nan 0.000 0.449 204 E N 0.637 120.825 120.200 -0.019 0.000 2.085 204 E HA -0.207 4.144 4.350 0.001 0.000 0.194 204 E C 2.189 178.726 176.600 -0.105 0.000 0.994 204 E CA 0.806 57.179 56.400 -0.044 0.000 0.801 204 E CB -0.115 29.571 29.700 -0.024 0.000 0.743 204 E HN 0.065 nan 8.360 nan 0.000 0.453 205 R N 0.522 120.917 120.500 -0.175 0.000 2.081 205 R HA -0.143 4.198 4.340 0.001 0.000 0.235 205 R C 2.223 178.182 176.300 -0.567 0.000 1.131 205 R CA 1.330 57.236 56.100 -0.323 0.000 0.960 205 R CB -0.160 29.904 30.300 -0.393 0.000 0.856 205 R HN 0.166 nan 8.270 nan 0.000 0.436 206 A N 0.734 123.288 122.820 -0.442 0.000 1.873 206 A HA -0.166 4.155 4.320 0.001 0.000 0.215 206 A C 1.891 179.353 177.584 -0.203 0.000 1.186 206 A CA 1.534 53.380 52.037 -0.319 0.000 0.616 206 A CB -0.454 18.528 19.000 -0.031 0.000 0.823 206 A HN 0.448 nan 8.150 nan 0.000 0.442 207 E N -0.283 119.843 120.200 -0.123 0.000 2.085 207 E HA -0.178 4.173 4.350 0.001 0.000 0.194 207 E C 1.881 178.412 176.600 -0.114 0.000 0.994 207 E CA 1.287 57.640 56.400 -0.080 0.000 0.801 207 E CB -0.310 29.362 29.700 -0.046 0.000 0.743 207 E HN 0.688 nan 8.360 nan 0.000 0.453 208 I N 0.479 120.959 120.570 -0.151 0.000 2.252 208 I HA -0.258 3.912 4.170 0.001 0.000 0.245 208 I C 2.311 178.291 176.117 -0.228 0.000 1.102 208 I CA 0.720 61.925 61.300 -0.159 0.000 1.385 208 I CB -0.108 37.828 38.000 -0.106 0.000 1.064 208 I HN 0.189 nan 8.210 nan 0.000 0.414 209 M N 0.251 119.643 119.600 -0.347 0.000 2.175 209 M HA -0.103 4.377 4.480 0.001 0.000 0.264 209 M C 2.543 178.747 176.300 -0.160 0.000 1.063 209 M CA 1.643 56.718 55.300 -0.375 0.000 1.119 209 M CB -1.421 30.723 32.600 -0.761 0.000 1.377 209 M HN 0.260 nan 8.290 nan 0.000 0.415 210 A N 0.407 123.165 122.820 -0.104 0.000 1.858 210 A HA -0.219 4.102 4.320 0.001 0.000 0.216 210 A C 2.331 179.891 177.584 -0.039 0.000 1.190 210 A CA 2.146 54.167 52.037 -0.027 0.000 0.617 210 A CB -0.741 18.256 19.000 -0.006 0.000 0.827 210 A HN 0.495 nan 8.150 nan 0.000 0.443 211 K N -0.503 119.859 120.400 -0.064 0.000 2.032 211 K HA -0.162 4.159 4.320 0.001 0.000 0.209 211 K C 1.813 178.376 176.600 -0.061 0.000 1.048 211 K CA 1.837 58.087 56.287 -0.061 0.000 0.927 211 K CB -0.291 32.163 32.500 -0.077 0.000 0.712 211 K HN 0.372 nan 8.250 nan 0.000 0.441 212 I N 1.654 122.171 120.570 -0.089 0.000 2.315 212 I HA -0.215 3.956 4.170 0.001 0.000 0.248 212 I C 2.382 178.483 176.117 -0.027 0.000 1.117 212 I CA 1.082 62.344 61.300 -0.063 0.000 1.404 212 I CB -0.807 37.114 38.000 -0.132 0.000 1.071 212 I HN 0.235 nan 8.210 nan 0.000 0.419 213 I N 0.641 121.186 120.570 -0.041 0.000 2.286 213 I HA -0.283 3.888 4.170 0.001 0.000 0.248 213 I C 2.138 178.258 176.117 0.005 0.000 1.115 213 I CA 1.244 62.537 61.300 -0.012 0.000 1.392 213 I CB -0.462 37.548 38.000 0.017 0.000 1.065 213 I HN 0.172 nan 8.210 nan 0.000 0.418 214 D N 1.061 121.464 120.400 0.004 0.000 2.097 214 D HA -0.200 4.441 4.640 0.001 0.000 0.195 214 D C 2.082 178.390 176.300 0.014 0.000 0.989 214 D CA 1.272 55.278 54.000 0.010 0.000 0.827 214 D CB -0.177 40.625 40.800 0.004 0.000 0.966 214 D HN 0.257 nan 8.370 nan 0.000 0.456 215 K N 0.741 121.152 120.400 0.017 0.000 1.985 215 K HA -0.117 4.204 4.320 0.001 0.000 0.210 215 K C 2.054 178.694 176.600 0.067 0.000 1.047 215 K CA 1.100 57.412 56.287 0.042 0.000 0.932 215 K CB -0.159 32.369 32.500 0.046 0.000 0.716 215 K HN -0.088 nan 8.250 nan 0.000 0.439 216 V N 1.981 121.938 119.914 0.071 0.000 2.392 216 V HA -0.236 3.884 4.120 0.001 0.000 0.249 216 V C 2.082 178.171 176.094 -0.008 0.000 1.059 216 V CA 2.006 64.314 62.300 0.014 0.000 1.051 216 V CB -0.510 31.280 31.823 -0.055 0.000 0.658 216 V HN 0.408 nan 8.190 nan 0.000 0.455 217 E N -0.000 120.201 120.200 0.002 0.000 2.106 217 E HA -0.217 4.134 4.350 0.001 0.000 0.192 217 E C 2.148 178.753 176.600 0.009 0.000 0.984 217 E CA 1.259 57.662 56.400 0.004 0.000 0.806 217 E CB -0.265 29.443 29.700 0.014 0.000 0.750 217 E HN 0.741 nan 8.360 nan 0.000 0.458 218 N N 0.727 119.436 118.700 0.015 0.000 2.216 218 N HA -0.159 4.582 4.740 0.001 0.000 0.183 218 N C 1.506 177.024 175.510 0.014 0.000 1.017 218 N CA 0.685 53.744 53.050 0.015 0.000 0.861 218 N CB 0.223 38.720 38.487 0.017 0.000 0.986 218 N HN 0.159 nan 8.380 nan 0.000 0.428 219 E N -0.822 119.389 120.200 0.018 0.000 2.230 219 E HA -0.058 4.292 4.350 0.001 0.000 0.192 219 E C 1.555 178.153 176.600 -0.003 0.000 0.987 219 E CA 1.346 57.755 56.400 0.015 0.000 0.841 219 E CB 0.305 30.028 29.700 0.037 0.000 0.783 219 E HN 0.518 nan 8.360 nan 0.000 0.481 220 T N -3.911 110.635 114.554 -0.013 0.000 2.969 220 T HA 0.251 4.601 4.350 0.001 0.000 0.250 220 T C 1.573 176.267 174.700 -0.009 0.000 1.021 220 T CA 0.356 62.443 62.100 -0.022 0.000 1.003 220 T CB 0.740 69.582 68.868 -0.043 0.000 1.040 220 T HN 0.184 nan 8.240 nan 0.000 0.492 221 G N 1.313 110.112 108.800 -0.002 0.000 2.198 221 G HA2 -0.208 3.753 3.960 0.001 0.000 0.260 221 G HA3 -0.208 3.753 3.960 0.001 0.000 0.260 221 G C -0.332 174.572 174.900 0.008 0.000 1.025 221 G CA 0.316 45.419 45.100 0.006 0.000 0.769 221 G HN 0.698 nan 8.290 nan 0.000 0.507 222 E N -0.337 119.864 120.200 0.002 0.000 2.288 222 E HA 0.483 4.834 4.350 0.001 0.000 0.268 222 E C -0.192 176.414 176.600 0.010 0.000 0.885 222 E CA -1.167 55.237 56.400 0.007 0.000 0.767 222 E CB 1.225 30.924 29.700 -0.002 0.000 1.220 222 E HN 0.003 nan 8.360 nan 0.000 0.427 223 K N 2.440 122.855 120.400 0.025 0.000 2.298 223 K HA 0.302 4.622 4.320 0.001 0.000 0.280 223 K C -0.278 176.338 176.600 0.027 0.000 1.032 223 K CA -0.184 56.124 56.287 0.036 0.000 0.958 223 K CB 0.457 32.992 32.500 0.057 0.000 0.978 223 K HN 0.270 nan 8.250 nan 0.000 0.472 224 K N 0.796 121.213 120.400 0.029 0.000 2.400 224 K HA 0.552 4.873 4.320 0.001 0.000 0.246 224 K C -0.053 176.583 176.600 0.060 0.000 0.995 224 K CA -0.695 55.602 56.287 0.016 0.000 0.840 224 K CB 2.256 34.742 32.500 -0.023 0.000 1.293 224 K HN 0.652 nan 8.250 nan 0.000 0.445 225 T N -0.741 113.849 114.554 0.060 0.000 2.731 225 T HA 0.638 4.989 4.350 0.001 0.000 0.300 225 T C -2.097 172.672 174.700 0.115 0.000 1.283 225 T CA -0.579 61.596 62.100 0.124 0.000 1.005 225 T CB 0.864 69.845 68.868 0.188 0.000 1.420 225 T HN 0.541 nan 8.240 nan 0.000 0.503 226 W N 3.030 124.298 121.300 -0.053 0.000 2.934 226 W HA 0.598 5.258 4.660 0.001 0.000 0.333 226 W C -2.110 174.455 176.519 0.076 0.000 1.035 226 W CA -1.768 55.526 57.345 -0.086 0.000 1.256 226 W CB 0.641 30.102 29.460 0.002 0.000 1.306 226 W HN 0.422 nan 8.180 nan 0.000 0.430 227 F N 5.875 125.564 119.950 -0.436 0.000 2.600 227 F HA 0.445 4.972 4.527 0.001 0.000 0.345 227 F C 1.042 176.331 175.800 -0.851 0.000 1.271 227 F CA -1.114 56.540 58.000 -0.576 0.000 1.138 227 F CB -0.913 37.755 39.000 -0.553 0.000 1.449 227 F HN 0.446 nan 8.300 nan 0.000 0.645 228 A N 2.859 125.055 122.820 -1.042 0.000 2.404 228 A HA 0.228 4.549 4.320 0.001 0.000 0.273 228 A C 0.516 177.962 177.584 -0.229 0.000 1.144 228 A CA -0.531 50.786 52.037 -1.200 0.000 0.806 228 A CB -0.114 17.873 19.000 -1.687 0.000 1.080 228 A HN 0.545 nan 8.150 nan 0.000 0.509 229 N N 2.685 121.382 118.700 -0.005 0.000 2.402 229 N HA 0.139 4.879 4.740 0.001 0.000 0.252 229 N C 0.744 176.293 175.510 0.065 0.000 1.118 229 N CA -0.365 52.711 53.050 0.043 0.000 0.945 229 N CB 0.247 38.743 38.487 0.016 0.000 1.147 229 N HN 0.626 nan 8.380 nan 0.000 0.495 230 I N -0.213 120.301 120.570 -0.093 0.000 3.684 230 I HA 0.189 4.360 4.170 0.001 0.000 0.304 230 I C 0.036 176.027 176.117 -0.211 0.000 1.278 230 I CA -0.211 60.906 61.300 -0.305 0.000 1.272 230 I CB -0.383 37.454 38.000 -0.273 0.000 1.029 230 I HN 0.106 nan 8.210 nan 0.000 0.458 231 T N 3.518 117.995 114.554 -0.128 0.000 2.800 231 T HA 0.361 4.712 4.350 0.001 0.000 0.283 231 T C 0.195 174.834 174.700 -0.101 0.000 0.999 231 T CA 0.853 62.891 62.100 -0.102 0.000 1.176 231 T CB 0.158 68.973 68.868 -0.087 0.000 0.973 231 T HN 0.729 nan 8.240 nan 0.000 0.519 232 A N 3.726 126.495 122.820 -0.085 0.000 2.526 232 A HA 0.493 4.814 4.320 0.001 0.000 0.306 232 A C -1.244 176.310 177.584 -0.049 0.000 1.088 232 A CA -0.957 51.038 52.037 -0.072 0.000 0.600 232 A CB 0.421 19.363 19.000 -0.096 0.000 1.423 232 A HN 0.606 nan 8.150 nan 0.000 0.582 233 D N -0.041 120.336 120.400 -0.039 0.000 2.368 233 D HA 0.258 4.899 4.640 0.001 0.000 0.240 233 D C 1.458 177.748 176.300 -0.017 0.000 1.169 233 D CA -0.067 53.919 54.000 -0.023 0.000 0.906 233 D CB 0.999 41.789 40.800 -0.017 0.000 1.187 233 D HN 0.521 nan 8.370 nan 0.000 0.435 234 L N 1.974 123.197 121.223 -0.001 0.000 1.978 234 L HA -0.242 4.099 4.340 0.001 0.000 0.218 234 L C 2.228 179.117 176.870 0.030 0.000 1.075 234 L CA 1.782 56.636 54.840 0.023 0.000 0.767 234 L CB -0.654 41.416 42.059 0.018 0.000 0.890 234 L HN 0.474 nan 8.230 nan 0.000 0.434 235 L N -0.986 120.247 121.223 0.016 0.000 2.079 235 L HA -0.223 4.118 4.340 0.001 0.000 0.210 235 L C 2.513 179.383 176.870 0.001 0.000 1.081 235 L CA 1.339 56.191 54.840 0.020 0.000 0.752 235 L CB -0.699 41.367 42.059 0.011 0.000 0.896 235 L HN 0.311 nan 8.230 nan 0.000 0.433 236 E N -0.109 120.076 120.200 -0.024 0.000 2.072 236 E HA -0.177 4.173 4.350 0.001 0.000 0.191 236 E C 2.289 178.828 176.600 -0.101 0.000 0.985 236 E CA 1.231 57.594 56.400 -0.062 0.000 0.801 236 E CB -0.171 29.485 29.700 -0.073 0.000 0.750 236 E HN 0.370 nan 8.360 nan 0.000 0.452 237 M N 0.113 119.665 119.600 -0.080 0.000 2.117 237 M HA -0.190 4.291 4.480 0.001 0.000 0.262 237 M C 2.003 178.270 176.300 -0.054 0.000 1.065 237 M CA 1.484 56.726 55.300 -0.096 0.000 1.114 237 M CB -0.349 32.222 32.600 -0.047 0.000 1.361 237 M HN 0.117 nan 8.290 nan 0.000 0.408 238 E N 0.221 120.432 120.200 0.018 0.000 2.085 238 E HA -0.244 4.107 4.350 0.001 0.000 0.194 238 E C 2.038 178.661 176.600 0.038 0.000 0.994 238 E CA 1.291 57.733 56.400 0.071 0.000 0.801 238 E CB -0.191 29.582 29.700 0.123 0.000 0.743 238 E HN 0.612 nan 8.360 nan 0.000 0.453 239 Q N 0.165 119.960 119.800 -0.008 0.000 2.124 239 Q HA -0.117 4.223 4.340 0.001 0.000 0.202 239 Q C 2.095 178.058 176.000 -0.063 0.000 0.977 239 Q CA 1.057 56.848 55.803 -0.021 0.000 0.850 239 Q CB -0.042 28.680 28.738 -0.026 0.000 0.901 239 Q HN 0.164 nan 8.270 nan 0.000 0.429 240 R N -0.032 120.365 120.500 -0.173 0.000 2.161 240 R HA 0.051 4.392 4.340 0.001 0.000 0.213 240 R C 2.162 178.386 176.300 -0.127 0.000 1.055 240 R CA 0.421 56.325 56.100 -0.326 0.000 0.996 240 R CB 0.009 29.724 30.300 -0.974 0.000 0.901 240 R HN 0.181 nan 8.270 nan 0.000 0.456 241 L N 0.727 121.896 121.223 -0.091 0.000 2.027 241 L HA -0.171 4.169 4.340 0.001 0.000 0.206 241 L C 2.631 179.357 176.870 -0.240 0.000 1.074 241 L CA 1.479 56.294 54.840 -0.042 0.000 0.745 241 L CB -0.399 41.728 42.059 0.113 0.000 0.898 241 L HN 0.275 nan 8.230 nan 0.000 0.433 242 E N 0.182 120.251 120.200 -0.219 0.000 2.085 242 E HA -0.217 4.134 4.350 0.001 0.000 0.194 242 E C 2.208 178.684 176.600 -0.207 0.000 0.994 242 E CA 1.664 57.854 56.400 -0.350 0.000 0.801 242 E CB 0.052 29.705 29.700 -0.078 0.000 0.743 242 E HN 0.233 nan 8.360 nan 0.000 0.453 243 V N 1.417 121.307 119.914 -0.039 0.000 2.332 243 V HA -0.290 3.831 4.120 0.001 0.000 0.248 243 V C 2.494 178.634 176.094 0.078 0.000 1.055 243 V CA 1.726 64.068 62.300 0.071 0.000 1.038 243 V CB -0.458 31.503 31.823 0.229 0.000 0.651 243 V HN 0.359 nan 8.190 nan 0.000 0.450 244 L N -0.215 121.062 121.223 0.090 0.000 2.017 244 L HA -0.153 4.187 4.340 0.001 0.000 0.208 244 L C 2.757 179.618 176.870 -0.016 0.000 1.073 244 L CA 1.616 56.511 54.840 0.091 0.000 0.745 244 L CB -0.875 41.242 42.059 0.097 0.000 0.894 244 L HN 0.365 nan 8.230 nan 0.000 0.432 245 A N 0.053 122.762 122.820 -0.185 0.000 1.883 245 A HA -0.247 4.074 4.320 0.001 0.000 0.217 245 A C 1.908 179.434 177.584 -0.098 0.000 1.186 245 A CA 2.095 54.004 52.037 -0.213 0.000 0.624 245 A CB -0.610 18.021 19.000 -0.614 0.000 0.822 245 A HN 0.363 nan 8.150 nan 0.000 0.444 246 D N -0.074 120.266 120.400 -0.101 0.000 2.149 246 D HA -0.109 4.532 4.640 0.001 0.000 0.198 246 D C 1.667 177.970 176.300 0.005 0.000 0.990 246 D CA 0.992 54.973 54.000 -0.032 0.000 0.839 246 D CB -0.289 40.498 40.800 -0.021 0.000 0.948 246 D HN 0.455 nan 8.370 nan 0.000 0.460 247 L N -0.768 120.468 121.223 0.021 0.000 2.554 247 L HA 0.146 4.487 4.340 0.001 0.000 0.226 247 L C 1.461 178.359 176.870 0.046 0.000 1.137 247 L CA 0.427 55.291 54.840 0.040 0.000 0.863 247 L CB -0.023 42.074 42.059 0.063 0.000 0.985 247 L HN 0.151 nan 8.230 nan 0.000 0.451 248 G N 0.237 109.063 108.800 0.042 0.000 2.143 248 G HA2 -0.269 3.691 3.960 0.001 0.000 0.249 248 G HA3 -0.269 3.691 3.960 0.001 0.000 0.249 248 G C 0.305 175.248 174.900 0.071 0.000 0.981 248 G CA -0.069 45.062 45.100 0.051 0.000 0.665 248 G HN 0.215 nan 8.290 nan 0.000 0.528 249 L N -1.035 120.243 121.223 0.091 0.000 2.468 249 L HA 0.405 4.746 4.340 0.001 0.000 0.253 249 L C 1.763 178.686 176.870 0.089 0.000 1.237 249 L CA 0.347 55.266 54.840 0.131 0.000 0.823 249 L CB 0.385 42.571 42.059 0.211 0.000 1.124 249 L HN 0.158 nan 8.230 nan 0.000 0.504 250 K N -1.327 119.132 120.400 0.098 0.000 2.425 250 K HA 0.228 4.548 4.320 0.001 0.000 0.201 250 K C -0.414 176.076 176.600 -0.183 0.000 1.128 250 K CA -0.067 56.209 56.287 -0.018 0.000 1.000 250 K CB 0.632 33.140 32.500 0.013 0.000 0.961 250 K HN 0.438 nan 8.250 nan 0.000 0.555 251 H N -0.279 118.770 119.070 -0.036 0.000 2.637 251 H HA 0.563 5.120 4.556 0.001 0.000 0.363 251 H C -1.440 173.821 175.328 -0.112 0.000 1.131 251 H CA -0.692 55.304 56.048 -0.086 0.000 1.183 251 H CB 2.112 31.885 29.762 0.019 0.000 1.637 251 H HN 0.133 nan 8.280 nan 0.000 0.531 252 A N 3.420 126.235 122.820 -0.008 0.000 2.335 252 A HA 0.458 4.779 4.320 0.001 0.000 0.304 252 A C -0.671 176.882 177.584 -0.051 0.000 1.118 252 A CA -0.754 51.258 52.037 -0.041 0.000 0.757 252 A CB 0.679 19.665 19.000 -0.024 0.000 1.188 252 A HN 0.737 nan 8.150 nan 0.000 0.460 253 M N 3.916 123.476 119.600 -0.067 0.000 2.209 253 M HA 0.660 5.141 4.480 0.001 0.000 0.355 253 M C -1.732 174.538 176.300 -0.051 0.000 1.171 253 M CA -0.244 55.038 55.300 -0.031 0.000 1.069 253 M CB 0.943 33.545 32.600 0.003 0.000 1.622 253 M HN 0.370 nan 8.290 nan 0.000 0.459 254 V N 3.798 123.671 119.914 -0.069 0.000 2.638 254 V HA 0.314 4.434 4.120 0.001 0.000 0.306 254 V C -1.035 174.991 176.094 -0.114 0.000 1.052 254 V CA -0.908 61.333 62.300 -0.098 0.000 0.885 254 V CB 2.045 33.799 31.823 -0.115 0.000 0.999 254 V HN 0.755 nan 8.190 nan 0.000 0.424 255 D N 3.190 123.528 120.400 -0.104 0.000 2.416 255 D HA 0.136 4.777 4.640 0.001 0.000 0.240 255 D C 1.293 177.500 176.300 -0.156 0.000 1.250 255 D CA 0.035 53.976 54.000 -0.098 0.000 0.967 255 D CB 1.400 42.154 40.800 -0.076 0.000 1.059 255 D HN 0.472 nan 8.370 nan 0.000 0.512 256 V N 0.623 120.378 119.914 -0.265 0.000 2.343 256 V HA -0.230 3.890 4.120 0.001 0.000 0.247 256 V C 1.977 177.887 176.094 -0.305 0.000 1.051 256 V CA 0.979 63.054 62.300 -0.375 0.000 1.036 256 V CB -0.794 30.559 31.823 -0.783 0.000 0.654 256 V HN 0.289 nan 8.190 nan 0.000 0.451 257 V N 0.453 120.235 119.914 -0.220 0.000 2.295 257 V HA -0.196 3.925 4.120 0.001 0.000 0.246 257 V C 2.547 178.592 176.094 -0.081 0.000 1.049 257 V CA 2.553 64.804 62.300 -0.081 0.000 1.024 257 V CB -0.537 31.325 31.823 0.066 0.000 0.648 257 V HN 0.460 nan 8.190 nan 0.000 0.447 258 I N -0.215 120.318 120.570 -0.061 0.000 2.252 258 I HA -0.211 3.960 4.170 0.001 0.000 0.245 258 I C 2.545 178.622 176.117 -0.067 0.000 1.102 258 I CA 1.631 62.906 61.300 -0.042 0.000 1.385 258 I CB -0.564 37.418 38.000 -0.031 0.000 1.064 258 I HN 0.323 nan 8.210 nan 0.000 0.414 259 T N 0.379 114.874 114.554 -0.097 0.000 2.684 259 T HA -0.012 4.339 4.350 0.001 0.000 0.267 259 T C 0.938 175.583 174.700 -0.092 0.000 1.036 259 T CA 1.325 63.374 62.100 -0.086 0.000 1.148 259 T CB -0.542 68.269 68.868 -0.094 0.000 0.863 259 T HN 0.676 nan 8.240 nan 0.000 0.436 260 G N -0.809 107.881 108.800 -0.184 0.000 2.662 260 G HA2 -0.131 3.829 3.960 0.001 0.000 0.686 260 G HA3 -0.131 3.829 3.960 0.001 0.000 0.686 260 G C 0.073 174.854 174.900 -0.198 0.000 1.271 260 G CA -0.292 44.670 45.100 -0.229 0.000 0.816 260 G HN 0.374 nan 8.290 nan 0.000 0.608 261 W N 0.543 121.889 121.300 0.078 0.000 2.519 261 W HA 0.226 4.886 4.660 0.001 0.000 0.266 261 W C 2.490 179.053 176.519 0.072 0.000 1.253 261 W CA 0.940 58.332 57.345 0.079 0.000 1.274 261 W CB -0.026 29.464 29.460 0.049 0.000 1.114 261 W HN 0.931 nan 8.180 nan 0.000 0.596 262 G N 0.362 109.302 108.800 0.234 0.000 2.448 262 G HA2 -0.056 3.904 3.960 0.001 0.000 0.219 262 G HA3 -0.056 3.904 3.960 0.001 0.000 0.219 262 G C 1.437 176.412 174.900 0.124 0.000 1.127 262 G CA 1.236 46.428 45.100 0.154 0.000 0.766 262 G HN 0.300 nan 8.290 nan 0.000 0.552 263 A N -1.038 121.854 122.820 0.121 0.000 2.498 263 A HA 0.497 4.817 4.320 0.001 0.000 0.238 263 A C 1.735 179.417 177.584 0.162 0.000 1.225 263 A CA 0.105 52.222 52.037 0.134 0.000 0.978 263 A CB 0.049 19.109 19.000 0.099 0.000 1.142 263 A HN 0.218 nan 8.150 nan 0.000 0.552 264 L N 0.396 121.701 121.223 0.136 0.000 2.079 264 L HA -0.090 4.251 4.340 0.001 0.000 0.210 264 L C 2.291 179.249 176.870 0.146 0.000 1.081 264 L CA 2.356 57.264 54.840 0.114 0.000 0.752 264 L CB -0.513 41.614 42.059 0.114 0.000 0.896 264 L HN 0.445 nan 8.230 nan 0.000 0.433 265 R N -1.595 119.021 120.500 0.193 0.000 2.066 265 R HA -0.248 4.093 4.340 0.001 0.000 0.232 265 R C 2.289 178.678 176.300 0.147 0.000 1.131 265 R CA 1.944 58.150 56.100 0.177 0.000 0.955 265 R CB -1.157 29.253 30.300 0.183 0.000 0.851 265 R HN 0.483 nan 8.270 nan 0.000 0.432 266 Y N 0.584 120.912 120.300 0.047 0.000 2.081 266 Y HA -0.222 4.328 4.550 0.001 0.000 0.280 266 Y C 1.854 177.763 175.900 0.014 0.000 1.163 266 Y CA 1.930 60.043 58.100 0.021 0.000 1.135 266 Y CB -0.302 38.168 38.460 0.017 0.000 0.970 266 Y HN 0.031 nan 8.280 nan 0.000 0.498 267 I N 0.691 121.253 120.570 -0.012 0.000 2.208 267 I HA -0.312 3.858 4.170 0.001 0.000 0.245 267 I C 2.637 178.687 176.117 -0.111 0.000 1.097 267 I CA 1.669 62.907 61.300 -0.103 0.000 1.363 267 I CB -1.276 36.724 38.000 -0.000 0.000 1.051 267 I HN 0.315 nan 8.210 nan 0.000 0.413 268 R N 1.377 121.854 120.500 -0.039 0.000 2.081 268 R HA -0.191 4.149 4.340 0.001 0.000 0.235 268 R C 1.645 177.916 176.300 -0.049 0.000 1.131 268 R CA 1.867 57.957 56.100 -0.016 0.000 0.960 268 R CB -0.514 29.812 30.300 0.043 0.000 0.856 268 R HN 0.329 nan 8.270 nan 0.000 0.436 269 D N 0.759 121.109 120.400 -0.083 0.000 2.144 269 D HA -0.147 4.493 4.640 0.001 0.000 0.200 269 D C 1.925 178.101 176.300 -0.207 0.000 0.978 269 D CA 0.698 54.630 54.000 -0.112 0.000 0.833 269 D CB -0.215 40.531 40.800 -0.090 0.000 0.961 269 D HN 0.135 nan 8.370 nan 0.000 0.470 270 L N 1.159 122.180 121.223 -0.337 0.000 1.994 270 L HA -0.096 4.244 4.340 0.001 0.000 0.208 270 L C 2.222 178.934 176.870 -0.263 0.000 1.071 270 L CA 1.785 56.372 54.840 -0.421 0.000 0.745 270 L CB -0.904 40.844 42.059 -0.517 0.000 0.892 270 L HN -0.028 nan 8.230 nan 0.000 0.431 271 A N -0.698 122.068 122.820 -0.090 0.000 1.908 271 A HA -0.185 4.136 4.320 0.001 0.000 0.218 271 A C 2.436 180.055 177.584 0.058 0.000 1.181 271 A CA 2.076 54.143 52.037 0.051 0.000 0.627 271 A CB -1.192 17.824 19.000 0.027 0.000 0.818 271 A HN 0.571 nan 8.150 nan 0.000 0.445 272 A N -0.033 122.787 122.820 0.000 0.000 1.877 272 A HA -0.183 4.138 4.320 0.001 0.000 0.216 272 A C 1.762 179.337 177.584 -0.014 0.000 1.186 272 A CA 1.960 54.009 52.037 0.020 0.000 0.620 272 A CB -0.702 18.291 19.000 -0.012 0.000 0.822 272 A HN 0.443 nan 8.150 nan 0.000 0.443 273 D N -1.350 118.981 120.400 -0.114 0.000 2.149 273 D HA -0.150 4.491 4.640 0.001 0.000 0.198 273 D C 1.281 177.526 176.300 -0.092 0.000 0.990 273 D CA 1.270 55.171 54.000 -0.164 0.000 0.839 273 D CB -0.338 40.270 40.800 -0.320 0.000 0.948 273 D HN 0.573 nan 8.370 nan 0.000 0.460 274 Y N -0.207 120.095 120.300 0.003 0.000 2.546 274 Y HA 0.249 4.800 4.550 0.001 0.000 0.287 274 Y C 1.764 177.695 175.900 0.051 0.000 1.158 274 Y CA 0.344 58.456 58.100 0.020 0.000 1.307 274 Y CB -0.140 38.327 38.460 0.012 0.000 1.036 274 Y HN -0.000 nan 8.280 nan 0.000 0.532 275 G N 0.891 109.815 108.800 0.206 0.000 2.246 275 G HA2 -0.274 3.686 3.960 0.001 0.000 0.273 275 G HA3 -0.274 3.686 3.960 0.001 0.000 0.273 275 G C -0.361 174.708 174.900 0.282 0.000 1.055 275 G CA 0.037 45.282 45.100 0.242 0.000 0.851 275 G HN 0.277 nan 8.290 nan 0.000 0.500 276 L N 0.110 121.459 121.223 0.209 0.000 2.307 276 L HA 0.757 5.098 4.340 0.001 0.000 0.284 276 L C 0.924 177.743 176.870 -0.084 0.000 1.023 276 L CA -0.662 54.190 54.840 0.021 0.000 0.810 276 L CB 1.811 43.892 42.059 0.037 0.000 1.231 276 L HN 0.337 nan 8.230 nan 0.000 0.423 277 A N 4.671 127.154 122.820 -0.562 0.000 2.407 277 A HA 0.595 4.915 4.320 0.001 0.000 0.248 277 A C -0.257 177.143 177.584 -0.306 0.000 1.082 277 A CA -0.144 51.508 52.037 -0.642 0.000 0.785 277 A CB 0.071 18.285 19.000 -1.310 0.000 1.020 277 A HN 0.659 nan 8.150 nan 0.000 0.489 278 I N 1.608 122.100 120.570 -0.129 0.000 2.362 278 I HA 0.212 4.383 4.170 0.001 0.000 0.289 278 I C -0.305 175.754 176.117 -0.096 0.000 0.994 278 I CA -0.354 60.898 61.300 -0.079 0.000 1.158 278 I CB 1.419 39.386 38.000 -0.055 0.000 1.315 278 I HN 0.808 nan 8.210 nan 0.000 0.451 279 H N 4.885 123.808 119.070 -0.244 0.000 2.556 279 H HA 0.521 5.078 4.556 0.001 0.000 0.310 279 H C 0.084 175.278 175.328 -0.224 0.000 1.057 279 H CA -0.342 55.490 56.048 -0.359 0.000 1.264 279 H CB 1.268 30.590 29.762 -0.734 0.000 1.404 279 H HN 0.706 nan 8.280 nan 0.000 0.462 280 G N 4.697 113.159 108.800 -0.563 0.000 2.329 280 G HA2 0.120 4.081 3.960 0.001 0.000 0.309 280 G HA3 0.120 4.081 3.960 0.001 0.000 0.309 280 G C -0.952 173.671 174.900 -0.462 0.000 1.110 280 G CA -0.415 44.411 45.100 -0.457 0.000 0.923 280 G HN 0.740 nan 8.290 nan 0.000 0.430 281 H N 2.517 121.333 119.070 -0.424 0.000 2.473 281 H HA 0.247 4.804 4.556 0.001 0.000 0.327 281 H C 0.811 175.903 175.328 -0.394 0.000 1.105 281 H CA -0.529 55.239 56.048 -0.468 0.000 1.280 281 H CB 1.434 30.998 29.762 -0.330 0.000 1.450 281 H HN 0.653 nan 8.280 nan 0.000 0.492 282 R N 2.952 123.094 120.500 -0.596 0.000 2.466 282 R HA 0.407 4.747 4.340 0.001 0.000 0.279 282 R C 0.245 176.515 176.300 -0.050 0.000 0.976 282 R CA -0.423 55.486 56.100 -0.320 0.000 1.081 282 R CB 0.186 30.224 30.300 -0.437 0.000 1.215 282 R HN 0.353 nan 8.270 nan 0.000 0.546 283 A N 1.800 124.668 122.820 0.080 0.000 2.598 283 A HA 0.056 4.376 4.320 0.001 0.000 0.239 283 A C 0.957 178.570 177.584 0.049 0.000 1.032 283 A CA 1.114 53.236 52.037 0.141 0.000 0.760 283 A CB -0.179 18.940 19.000 0.198 0.000 0.946 283 A HN 0.856 nan 8.150 nan 0.000 0.512 284 M N 0.786 120.374 119.600 -0.020 0.000 3.011 284 M HA -0.244 4.237 4.480 0.001 0.000 0.211 284 M C 1.363 177.538 176.300 -0.209 0.000 0.583 284 M CA 1.702 56.962 55.300 -0.066 0.000 0.808 284 M CB -1.868 30.746 32.600 0.023 0.000 2.882 284 M HN 1.237 nan 8.290 nan 0.000 0.294 285 H N 0.092 118.990 119.070 -0.287 0.000 2.352 285 H HA 0.043 4.600 4.556 0.001 0.000 0.299 285 H C 1.536 176.383 175.328 -0.801 0.000 1.097 285 H CA 1.828 57.476 56.048 -0.668 0.000 1.311 285 H CB -0.769 28.742 29.762 -0.418 0.000 1.377 285 H HN 0.663 nan 8.280 nan 0.000 0.504 286 A N 1.512 123.514 122.820 -1.363 0.000 2.186 286 A HA 0.068 4.389 4.320 0.001 0.000 0.219 286 A C 2.671 179.990 177.584 -0.441 0.000 1.159 286 A CA 1.262 52.785 52.037 -0.856 0.000 0.680 286 A CB -0.890 17.701 19.000 -0.683 0.000 0.787 286 A HN 0.700 nan 8.150 nan 0.000 0.467 287 A N -0.570 122.009 122.820 -0.402 0.000 2.015 287 A HA 0.125 4.445 4.320 0.001 0.000 0.219 287 A C 1.513 179.087 177.584 -0.017 0.000 1.163 287 A CA 1.507 53.461 52.037 -0.138 0.000 0.646 287 A CB -0.541 18.456 19.000 -0.005 0.000 0.806 287 A HN 1.169 nan 8.150 nan 0.000 0.448 288 F N -3.170 116.756 119.950 -0.039 0.000 2.856 288 F HA 0.241 4.768 4.527 0.001 0.000 0.338 288 F C 1.364 177.154 175.800 -0.016 0.000 1.100 288 F CA 0.544 58.518 58.000 -0.043 0.000 1.150 288 F CB -0.434 38.511 39.000 -0.090 0.000 1.101 288 F HN 0.028 nan 8.300 nan 0.000 0.548 289 T N -2.914 111.517 114.554 -0.205 0.000 3.022 289 T HA 0.197 4.547 4.350 0.001 0.000 0.250 289 T C 1.760 176.474 174.700 0.024 0.000 1.060 289 T CA 0.368 62.455 62.100 -0.022 0.000 1.013 289 T CB -0.054 68.815 68.868 0.000 0.000 0.982 289 T HN 0.352 nan 8.240 nan 0.000 0.508 290 R N 1.358 121.844 120.500 -0.022 0.000 2.080 290 R HA 0.149 4.489 4.340 0.001 0.000 0.222 290 R C 0.613 176.940 176.300 0.044 0.000 1.107 290 R CA 0.327 56.431 56.100 0.007 0.000 0.980 290 R CB -0.116 30.164 30.300 -0.034 0.000 0.879 290 R HN 0.240 nan 8.270 nan 0.000 0.439 291 N N 1.737 120.480 118.700 0.073 0.000 2.431 291 N HA 0.010 4.751 4.740 0.001 0.000 0.265 291 N C -1.934 173.634 175.510 0.097 0.000 1.184 291 N CA -1.690 51.432 53.050 0.120 0.000 0.943 291 N CB 1.582 40.179 38.487 0.184 0.000 1.080 291 N HN 0.106 nan 8.380 nan 0.000 0.477 292 P HA -0.037 nan 4.420 nan 0.000 0.242 292 P C -0.006 177.150 177.300 -0.240 0.000 1.197 292 P CA 0.930 63.931 63.100 -0.166 0.000 0.765 292 P CB 0.066 31.577 31.700 -0.316 0.000 0.936 293 Y N -1.807 118.579 120.300 0.144 0.000 2.445 293 Y HA 0.300 4.851 4.550 0.001 0.000 0.247 293 Y C 0.606 176.673 175.900 0.279 0.000 1.129 293 Y CA -0.152 58.060 58.100 0.187 0.000 1.251 293 Y CB 0.317 38.872 38.460 0.158 0.000 1.176 293 Y HN 0.028 nan 8.280 nan 0.000 0.522 294 H N -0.867 118.357 119.070 0.257 0.000 3.129 294 H HA 0.552 5.109 4.556 0.001 0.000 0.342 294 H C -0.005 175.423 175.328 0.167 0.000 1.092 294 H CA -0.158 56.035 56.048 0.242 0.000 1.310 294 H CB 1.105 30.991 29.762 0.207 0.000 1.932 294 H HN 0.253 nan 8.280 nan 0.000 0.507 295 G N 2.562 111.175 108.800 -0.312 0.000 2.297 295 G HA2 -0.018 3.942 3.960 0.001 0.000 0.209 295 G HA3 -0.018 3.942 3.960 0.001 0.000 0.209 295 G C -1.489 173.364 174.900 -0.078 0.000 1.267 295 G CA -0.371 44.519 45.100 -0.350 0.000 1.127 295 G HN 0.637 nan 8.290 nan 0.000 0.498 296 I N 1.243 121.868 120.570 0.091 0.000 2.418 296 I HA 0.493 4.663 4.170 0.001 0.000 0.287 296 I C 0.698 176.967 176.117 0.254 0.000 1.008 296 I CA -0.653 60.777 61.300 0.216 0.000 1.104 296 I CB 1.904 40.017 38.000 0.188 0.000 1.264 296 I HN 0.582 nan 8.210 nan 0.000 0.438 297 S N 4.651 120.465 115.700 0.191 0.000 2.562 297 S HA 0.044 4.514 4.470 0.001 0.000 0.281 297 S C 1.078 175.753 174.600 0.124 0.000 1.333 297 S CA -0.451 57.855 58.200 0.176 0.000 1.052 297 S CB 0.622 63.952 63.200 0.216 0.000 0.884 297 S HN 0.647 nan 8.310 nan 0.000 0.506 298 M N 5.465 125.069 119.600 0.007 0.000 2.435 298 M HA -0.015 4.466 4.480 0.001 0.000 0.262 298 M C 1.110 177.149 176.300 -0.434 0.000 1.065 298 M CA 1.572 56.681 55.300 -0.318 0.000 1.076 298 M CB -0.803 31.375 32.600 -0.703 0.000 1.403 298 M HN 0.827 nan 8.290 nan 0.000 0.454 299 F N -0.732 119.082 119.950 -0.227 0.000 2.134 299 F HA -0.176 4.351 4.527 0.001 0.000 0.299 299 F C 1.853 177.564 175.800 -0.148 0.000 1.097 299 F CA 1.751 59.697 58.000 -0.089 0.000 1.264 299 F CB -0.351 38.713 39.000 0.107 0.000 1.001 299 F HN -0.019 nan 8.300 nan 0.000 0.479 300 V N -0.162 119.784 119.914 0.054 0.000 2.358 300 V HA -0.284 3.837 4.120 0.001 0.000 0.246 300 V C 2.315 178.278 176.094 -0.218 0.000 1.047 300 V CA 1.397 63.645 62.300 -0.088 0.000 1.035 300 V CB -0.721 31.083 31.823 -0.032 0.000 0.658 300 V HN 0.237 nan 8.190 nan 0.000 0.452 301 L N 0.550 121.679 121.223 -0.157 0.000 2.042 301 L HA -0.129 4.211 4.340 0.001 0.000 0.210 301 L C 2.621 179.332 176.870 -0.265 0.000 1.076 301 L CA 2.254 56.957 54.840 -0.229 0.000 0.749 301 L CB -1.369 40.688 42.059 -0.004 0.000 0.893 301 L HN 0.300 nan 8.230 nan 0.000 0.432 302 A N -0.758 121.897 122.820 -0.276 0.000 1.902 302 A HA -0.279 4.041 4.320 0.001 0.000 0.217 302 A C 2.454 179.883 177.584 -0.258 0.000 1.181 302 A CA 2.094 53.974 52.037 -0.263 0.000 0.623 302 A CB -0.498 18.257 19.000 -0.410 0.000 0.818 302 A HN 0.412 nan 8.150 nan 0.000 0.443 303 K N -0.275 119.910 120.400 -0.358 0.000 2.001 303 K HA -0.047 4.274 4.320 0.001 0.000 0.208 303 K C 1.943 178.356 176.600 -0.312 0.000 1.048 303 K CA 1.386 57.492 56.287 -0.302 0.000 0.932 303 K CB -0.359 31.899 32.500 -0.403 0.000 0.715 303 K HN 0.444 nan 8.250 nan 0.000 0.437 304 L N 0.180 121.163 121.223 -0.400 0.000 2.042 304 L HA -0.221 4.119 4.340 0.001 0.000 0.210 304 L C 2.495 179.243 176.870 -0.205 0.000 1.076 304 L CA 1.334 55.932 54.840 -0.403 0.000 0.749 304 L CB -0.645 41.162 42.059 -0.420 0.000 0.893 304 L HN 0.247 nan 8.230 nan 0.000 0.432 305 Y N -0.286 119.997 120.300 -0.028 0.000 2.242 305 Y HA -0.190 4.360 4.550 0.001 0.000 0.291 305 Y C 2.800 178.652 175.900 -0.079 0.000 1.137 305 Y CA 1.031 59.112 58.100 -0.033 0.000 1.181 305 Y CB -0.645 37.766 38.460 -0.082 0.000 0.989 305 Y HN 0.098 nan 8.280 nan 0.000 0.527 306 R N 0.388 120.902 120.500 0.022 0.000 2.081 306 R HA -0.143 4.198 4.340 0.001 0.000 0.235 306 R C 2.022 178.305 176.300 -0.028 0.000 1.131 306 R CA 1.373 57.455 56.100 -0.030 0.000 0.960 306 R CB -0.476 29.764 30.300 -0.099 0.000 0.856 306 R HN 0.334 nan 8.270 nan 0.000 0.436 307 L N 0.467 121.612 121.223 -0.129 0.000 2.017 307 L HA -0.199 4.142 4.340 0.001 0.000 0.208 307 L C 2.516 179.331 176.870 -0.092 0.000 1.073 307 L CA 1.340 56.013 54.840 -0.279 0.000 0.745 307 L CB -0.434 41.069 42.059 -0.928 0.000 0.894 307 L HN 0.269 nan 8.230 nan 0.000 0.432 308 I N -0.336 120.225 120.570 -0.015 0.000 2.208 308 I HA -0.216 3.955 4.170 0.001 0.000 0.245 308 I C 1.411 177.634 176.117 0.177 0.000 1.097 308 I CA 1.499 62.937 61.300 0.230 0.000 1.363 308 I CB -0.443 37.720 38.000 0.272 0.000 1.051 308 I HN 0.540 nan 8.210 nan 0.000 0.413 309 G N 0.700 109.566 108.800 0.111 0.000 2.165 309 G HA2 -0.083 3.878 3.960 0.001 0.000 0.144 309 G HA3 -0.083 3.878 3.960 0.001 0.000 0.144 309 G C -0.031 174.900 174.900 0.052 0.000 1.049 309 G CA -0.771 44.378 45.100 0.081 0.000 0.741 309 G HN 0.059 nan 8.290 nan 0.000 0.493 310 I N 1.874 122.465 120.570 0.035 0.000 2.505 310 I HA 0.159 4.329 4.170 0.001 0.000 0.287 310 I C 0.991 177.093 176.117 -0.025 0.000 1.104 310 I CA -0.212 61.073 61.300 -0.026 0.000 1.387 310 I CB 0.497 38.444 38.000 -0.089 0.000 1.404 310 I HN 0.100 nan 8.210 nan 0.000 0.528 311 D N 5.030 125.423 120.400 -0.012 0.000 2.144 311 D HA -0.109 4.531 4.640 0.001 0.000 0.200 311 D C 0.396 176.714 176.300 0.029 0.000 0.978 311 D CA 1.417 55.436 54.000 0.032 0.000 0.833 311 D CB 0.449 41.284 40.800 0.058 0.000 0.961 311 D HN 0.622 nan 8.370 nan 0.000 0.470 312 Q N -0.081 119.682 119.800 -0.063 0.000 2.323 312 Q HA 0.596 4.936 4.340 0.001 0.000 0.271 312 Q C -1.356 174.474 176.000 -0.283 0.000 1.048 312 Q CA -0.596 55.147 55.803 -0.099 0.000 0.792 312 Q CB 3.078 31.759 28.738 -0.095 0.000 1.280 312 Q HN -0.055 nan 8.270 nan 0.000 0.441 313 L N 1.647 122.743 121.223 -0.212 0.000 2.470 313 L HA 0.369 4.710 4.340 0.001 0.000 0.268 313 L C -1.072 175.700 176.870 -0.163 0.000 0.964 313 L CA -0.243 54.458 54.840 -0.232 0.000 0.839 313 L CB 1.593 43.544 42.059 -0.181 0.000 1.276 313 L HN 0.686 nan 8.230 nan 0.000 0.403 314 H N 4.004 122.881 119.070 -0.322 0.000 2.928 314 H HA 0.242 4.799 4.556 0.001 0.000 0.338 314 H C 0.525 175.725 175.328 -0.212 0.000 1.047 314 H CA 0.797 56.705 56.048 -0.232 0.000 1.435 314 H CB 1.455 31.033 29.762 -0.306 0.000 1.428 314 H HN 0.616 nan 8.280 nan 0.000 0.590 315 V N -0.336 119.567 119.914 -0.017 0.000 3.392 315 V HA 0.435 4.556 4.120 0.001 0.000 0.294 315 V C 0.772 176.950 176.094 0.140 0.000 1.561 315 V CA 0.311 62.635 62.300 0.040 0.000 1.056 315 V CB 0.368 32.268 31.823 0.128 0.000 0.882 315 V HN 1.102 nan 8.190 nan 0.000 0.440 316 G N 1.472 110.320 108.800 0.081 0.000 2.566 316 G HA2 0.075 4.036 3.960 0.001 0.000 0.599 316 G HA3 0.075 4.036 3.960 0.001 0.000 0.599 316 G C 0.141 175.079 174.900 0.065 0.000 1.292 316 G CA 0.330 45.488 45.100 0.096 0.000 0.922 316 G HN 1.486 nan 8.290 nan 0.000 0.514 317 T N -2.859 111.726 114.554 0.053 0.000 3.296 317 T HA 0.687 5.038 4.350 0.001 0.000 0.285 317 T C 1.247 175.956 174.700 0.015 0.000 1.014 317 T CA 1.491 63.607 62.100 0.026 0.000 0.920 317 T CB 0.224 69.102 68.868 0.018 0.000 1.143 317 T HN 2.641 nan 8.240 nan 0.000 0.522 318 A N 0.247 123.078 122.820 0.017 0.000 2.511 318 A HA 0.146 4.467 4.320 0.001 0.000 0.297 318 A C 1.902 179.486 177.584 -0.000 0.000 1.476 318 A CA 1.026 53.061 52.037 -0.003 0.000 0.757 318 A CB -2.131 16.860 19.000 -0.015 0.000 1.072 318 A HN 2.279 nan 8.150 nan 0.000 0.413 319 G N -2.192 106.614 108.800 0.011 0.000 2.253 319 G HA2 0.015 3.975 3.960 0.001 0.000 0.251 319 G HA3 0.015 3.975 3.960 0.001 0.000 0.251 319 G C 1.459 176.368 174.900 0.014 0.000 0.998 319 G CA 1.320 46.428 45.100 0.013 0.000 0.621 319 G HN 2.311 nan 8.290 nan 0.000 0.524 320 A N 0.375 123.199 122.820 0.006 0.000 1.970 320 A HA 0.577 4.897 4.320 0.001 0.000 0.216 320 A C 1.905 179.491 177.584 0.004 0.000 1.170 320 A CA 2.145 54.181 52.037 -0.003 0.000 0.645 320 A CB -0.434 18.549 19.000 -0.028 0.000 0.816 320 A HN 1.772 nan 8.150 nan 0.000 0.447 321 G N -0.805 108.002 108.800 0.012 0.000 2.532 321 G HA2 0.391 4.352 3.960 0.001 0.000 0.291 321 G HA3 0.391 4.352 3.960 0.001 0.000 0.291 321 G C 0.663 175.582 174.900 0.032 0.000 1.349 321 G CA 0.124 45.236 45.100 0.019 0.000 1.038 321 G HN 0.386 nan 8.290 nan 0.000 0.518 322 K N -1.324 119.097 120.400 0.034 0.000 2.418 322 K HA 0.197 4.517 4.320 0.001 0.000 0.195 322 K C 0.339 176.961 176.600 0.037 0.000 1.035 322 K CA 0.273 56.581 56.287 0.035 0.000 1.003 322 K CB -0.121 32.398 32.500 0.032 0.000 0.793 322 K HN 0.216 nan 8.250 nan 0.000 0.494 323 L N 1.966 123.215 121.223 0.044 0.000 2.331 323 L HA 0.284 4.624 4.340 0.001 0.000 0.275 323 L C 0.347 177.248 176.870 0.051 0.000 1.022 323 L CA -1.105 53.763 54.840 0.047 0.000 0.812 323 L CB 1.561 43.657 42.059 0.062 0.000 1.257 323 L HN 0.130 nan 8.230 nan 0.000 0.435 324 E N 1.641 121.869 120.200 0.046 0.000 2.415 324 E HA 0.310 4.661 4.350 0.001 0.000 0.262 324 E C -0.249 176.396 176.600 0.076 0.000 1.038 324 E CA 0.419 56.849 56.400 0.050 0.000 0.921 324 E CB 1.141 30.864 29.700 0.038 0.000 0.950 324 E HN 0.771 nan 8.360 nan 0.000 0.438 325 G N 1.703 110.542 108.800 0.066 0.000 1.956 325 G HA2 0.324 4.285 3.960 0.001 0.000 0.189 325 G HA3 0.324 4.285 3.960 0.001 0.000 0.189 325 G C -0.370 174.549 174.900 0.032 0.000 1.568 325 G CA -0.128 45.019 45.100 0.078 0.000 1.002 325 G HN 0.656 nan 8.290 nan 0.000 0.653 326 E N 2.115 122.317 120.200 0.003 0.000 2.374 326 E HA 0.612 4.963 4.350 0.001 0.000 0.260 326 E C 1.375 177.946 176.600 -0.048 0.000 1.101 326 E CA 0.275 56.663 56.400 -0.020 0.000 0.907 326 E CB 0.762 30.447 29.700 -0.025 0.000 1.014 326 E HN 0.870 nan 8.360 nan 0.000 0.427 327 R N -0.154 120.324 120.500 -0.036 0.000 2.103 327 R HA -0.182 4.159 4.340 0.001 0.000 0.234 327 R C 1.519 177.777 176.300 -0.070 0.000 1.132 327 R CA 2.462 58.536 56.100 -0.042 0.000 0.925 327 R CB -0.395 29.890 30.300 -0.025 0.000 0.842 327 R HN 0.784 nan 8.270 nan 0.000 0.430 328 D N 0.274 120.638 120.400 -0.061 0.000 2.123 328 D HA -0.170 4.470 4.640 0.001 0.000 0.196 328 D C 1.915 178.137 176.300 -0.130 0.000 0.992 328 D CA 1.454 55.416 54.000 -0.063 0.000 0.833 328 D CB -0.194 40.589 40.800 -0.028 0.000 0.954 328 D HN 0.368 nan 8.370 nan 0.000 0.455 329 I N 0.591 121.045 120.570 -0.193 0.000 2.252 329 I HA -0.223 3.948 4.170 0.001 0.000 0.245 329 I C 2.183 177.834 176.117 -0.777 0.000 1.102 329 I CA 1.038 62.100 61.300 -0.396 0.000 1.385 329 I CB -0.409 37.402 38.000 -0.314 0.000 1.064 329 I HN -0.015 nan 8.210 nan 0.000 0.414 330 T N 1.380 115.650 114.554 -0.475 0.000 2.746 330 T HA -0.185 4.166 4.350 0.001 0.000 0.267 330 T C 1.879 176.426 174.700 -0.255 0.000 1.039 330 T CA 1.241 63.125 62.100 -0.360 0.000 1.142 330 T CB -0.348 68.465 68.868 -0.092 0.000 0.866 330 T HN 0.171 nan 8.240 nan 0.000 0.444 331 L N 1.520 122.640 121.223 -0.171 0.000 2.131 331 L HA 0.105 4.445 4.340 0.001 0.000 0.210 331 L C 2.458 179.294 176.870 -0.056 0.000 1.092 331 L CA 1.744 56.539 54.840 -0.074 0.000 0.759 331 L CB -1.213 40.823 42.059 -0.038 0.000 0.903 331 L HN 0.277 nan 8.230 nan 0.000 0.435 332 G N -0.660 108.054 108.800 -0.144 0.000 2.480 332 G HA2 -0.310 3.650 3.960 0.001 0.000 0.216 332 G HA3 -0.310 3.650 3.960 0.001 0.000 0.216 332 G C 1.366 176.294 174.900 0.047 0.000 1.200 332 G CA 1.099 46.186 45.100 -0.023 0.000 0.782 332 G HN 0.391 nan 8.290 nan 0.000 0.554 333 F N 0.843 120.795 119.950 0.003 0.000 2.095 333 F HA -0.064 4.463 4.527 0.001 0.000 0.298 333 F C 2.920 178.635 175.800 -0.142 0.000 1.104 333 F CA 0.208 58.127 58.000 -0.135 0.000 1.232 333 F CB -1.362 37.579 39.000 -0.099 0.000 0.987 333 F HN -0.012 nan 8.300 nan 0.000 0.475 334 V N 0.419 120.389 119.914 0.093 0.000 2.287 334 V HA -0.297 3.823 4.120 0.001 0.000 0.248 334 V C 2.165 178.258 176.094 -0.001 0.000 1.053 334 V CA 2.242 64.561 62.300 0.032 0.000 1.027 334 V CB -0.607 31.233 31.823 0.028 0.000 0.646 334 V HN 0.220 nan 8.190 nan 0.000 0.447 335 D N -0.356 120.069 120.400 0.041 0.000 2.117 335 D HA -0.144 4.497 4.640 0.001 0.000 0.197 335 D C 1.917 178.241 176.300 0.042 0.000 0.987 335 D CA 1.056 55.113 54.000 0.094 0.000 0.829 335 D CB -0.285 40.662 40.800 0.245 0.000 0.961 335 D HN 0.332 nan 8.370 nan 0.000 0.460 336 L N 0.376 121.537 121.223 -0.103 0.000 2.201 336 L HA -0.051 4.290 4.340 0.001 0.000 0.212 336 L C 1.996 178.620 176.870 -0.410 0.000 1.105 336 L CA 1.190 55.822 54.840 -0.347 0.000 0.775 336 L CB -0.213 41.432 42.059 -0.689 0.000 0.913 336 L HN 0.021 nan 8.230 nan 0.000 0.440 337 L N -1.654 119.393 121.223 -0.294 0.000 2.249 337 L HA 0.006 4.347 4.340 0.001 0.000 0.207 337 L C 2.406 179.085 176.870 -0.318 0.000 1.090 337 L CA 0.519 55.174 54.840 -0.308 0.000 0.802 337 L CB -0.254 41.699 42.059 -0.176 0.000 0.947 337 L HN 0.156 nan 8.230 nan 0.000 0.453 338 R N -0.299 120.060 120.500 -0.235 0.000 2.206 338 R HA 0.118 4.458 4.340 0.001 0.000 0.198 338 R C 0.178 176.367 176.300 -0.185 0.000 0.986 338 R CA 0.049 56.030 56.100 -0.197 0.000 1.029 338 R CB 0.323 30.543 30.300 -0.133 0.000 0.966 338 R HN 0.321 nan 8.270 nan 0.000 0.487 339 E N 0.977 121.078 120.200 -0.166 0.000 2.313 339 E HA 0.019 4.370 4.350 0.001 0.000 0.276 339 E C 0.560 177.099 176.600 -0.102 0.000 1.031 339 E CA -0.146 56.215 56.400 -0.065 0.000 0.857 339 E CB 1.464 31.214 29.700 0.083 0.000 1.040 339 E HN 0.094 nan 8.360 nan 0.000 0.408 340 S N 2.086 117.791 115.700 0.010 0.000 2.461 340 S HA -0.132 4.338 4.470 0.001 0.000 0.228 340 S C 0.599 175.348 174.600 0.247 0.000 1.005 340 S CA 0.568 58.822 58.200 0.089 0.000 0.942 340 S CB -0.049 63.188 63.200 0.062 0.000 0.776 340 S HN 0.659 nan 8.310 nan 0.000 0.514 341 H N -0.238 118.912 119.070 0.134 0.000 3.036 341 H HA 0.375 4.931 4.556 0.001 0.000 0.295 341 H C -1.576 173.867 175.328 0.191 0.000 1.124 341 H CA -1.157 54.980 56.048 0.149 0.000 1.507 341 H CB 0.435 30.216 29.762 0.032 0.000 1.591 341 H HN 0.349 nan 8.280 nan 0.000 0.510 342 Y N 4.324 124.889 120.300 0.442 0.000 2.335 342 Y HA 0.443 4.994 4.550 0.001 0.000 0.331 342 Y C -0.968 175.133 175.900 0.335 0.000 1.094 342 Y CA -0.140 58.160 58.100 0.335 0.000 1.253 342 Y CB 0.348 39.024 38.460 0.361 0.000 1.203 342 Y HN 0.642 nan 8.280 nan 0.000 0.508 343 K N 7.860 127.913 120.400 -0.578 0.000 2.545 343 K HA 0.527 4.847 4.320 0.001 0.000 0.252 343 K C -3.218 172.959 176.600 -0.704 0.000 0.948 343 K CA -1.848 54.153 56.287 -0.477 0.000 0.827 343 K CB 0.616 32.984 32.500 -0.221 0.000 1.128 343 K HN 0.614 nan 8.250 nan 0.000 0.429 344 P HA 0.222 nan 4.420 nan 0.000 0.272 344 P C -0.940 176.302 177.300 -0.097 0.000 1.240 344 P CA -0.282 62.704 63.100 -0.189 0.000 0.791 344 P CB 0.514 32.279 31.700 0.109 0.000 0.978 345 D N 0.172 120.559 120.400 -0.022 0.000 2.400 345 D HA 0.100 4.741 4.640 0.001 0.000 0.238 345 D C 1.770 178.050 176.300 -0.032 0.000 1.157 345 D CA 0.223 54.208 54.000 -0.025 0.000 0.889 345 D CB 0.134 40.936 40.800 0.003 0.000 1.199 345 D HN 0.531 nan 8.370 nan 0.000 0.436 346 E N 1.826 122.002 120.200 -0.040 0.000 2.171 346 E HA -0.261 4.090 4.350 0.001 0.000 0.197 346 E C 1.165 177.728 176.600 -0.062 0.000 0.997 346 E CA 1.731 58.103 56.400 -0.047 0.000 0.810 346 E CB -0.848 28.828 29.700 -0.040 0.000 0.738 346 E HN 0.594 nan 8.360 nan 0.000 0.467 347 N N 0.310 118.977 118.700 -0.055 0.000 2.322 347 N HA 0.004 4.745 4.740 0.001 0.000 0.194 347 N C -0.341 175.105 175.510 -0.107 0.000 1.126 347 N CA 0.439 53.443 53.050 -0.077 0.000 0.845 347 N CB 0.239 38.698 38.487 -0.047 0.000 0.976 347 N HN 0.273 nan 8.380 nan 0.000 0.475 348 D N 1.064 121.414 120.400 -0.084 0.000 2.336 348 D HA 0.028 4.668 4.640 0.001 0.000 0.249 348 D C 1.114 177.256 176.300 -0.263 0.000 1.213 348 D CA -0.383 53.563 54.000 -0.090 0.000 0.870 348 D CB 1.500 42.336 40.800 0.060 0.000 1.076 348 D HN 0.055 nan 8.370 nan 0.000 0.483 349 V N 1.979 121.561 119.914 -0.554 0.000 3.596 349 V HA 0.198 4.318 4.120 0.001 0.000 0.289 349 V C 0.865 176.506 176.094 -0.754 0.000 1.336 349 V CA 0.234 62.104 62.300 -0.717 0.000 1.137 349 V CB -1.003 30.256 31.823 -0.939 0.000 0.966 349 V HN 0.292 nan 8.190 nan 0.000 0.428 350 F N 0.432 120.135 119.950 -0.413 0.000 2.553 350 F HA 0.437 4.964 4.527 0.001 0.000 0.282 350 F C 1.278 176.697 175.800 -0.635 0.000 1.089 350 F CA -0.184 57.449 58.000 -0.612 0.000 1.411 350 F CB -0.177 38.243 39.000 -0.967 0.000 1.125 350 F HN 0.299 nan 8.300 nan 0.000 0.610 351 H N -0.465 118.588 119.070 -0.029 0.000 2.670 351 H HA 0.697 5.254 4.556 0.001 0.000 0.361 351 H C -0.664 174.733 175.328 0.115 0.000 1.169 351 H CA -0.910 55.100 56.048 -0.065 0.000 1.198 351 H CB 1.854 31.445 29.762 -0.285 0.000 1.700 351 H HN -0.172 nan 8.280 nan 0.000 0.542 352 L N 0.246 121.689 121.223 0.367 0.000 2.286 352 L HA 0.345 4.685 4.340 0.001 0.000 0.265 352 L C 0.192 177.311 176.870 0.415 0.000 1.012 352 L CA -1.005 54.007 54.840 0.287 0.000 0.818 352 L CB 1.808 43.984 42.059 0.195 0.000 1.337 352 L HN 0.620 nan 8.230 nan 0.000 0.438 353 E N 1.276 121.631 120.200 0.258 0.000 2.384 353 E HA 0.091 4.442 4.350 0.001 0.000 0.266 353 E C -1.016 175.814 176.600 0.383 0.000 1.012 353 E CA -0.120 56.453 56.400 0.288 0.000 0.901 353 E CB 0.845 30.650 29.700 0.174 0.000 0.967 353 E HN 0.376 nan 8.360 nan 0.000 0.435 354 Q N 3.331 123.368 119.800 0.394 0.000 2.269 354 Q HA 0.248 4.589 4.340 0.001 0.000 0.263 354 Q C -1.772 174.209 176.000 -0.033 0.000 0.983 354 Q CA -0.595 55.324 55.803 0.193 0.000 0.777 354 Q CB 1.221 30.000 28.738 0.068 0.000 1.273 354 Q HN 0.346 nan 8.270 nan 0.000 0.440 355 K N 3.335 123.573 120.400 -0.271 0.000 2.205 355 K HA 0.303 4.624 4.320 0.001 0.000 0.279 355 K C -0.304 176.080 176.600 -0.360 0.000 1.027 355 K CA -0.127 55.871 56.287 -0.482 0.000 0.932 355 K CB 0.727 32.728 32.500 -0.832 0.000 1.032 355 K HN 0.602 nan 8.250 nan 0.000 0.466 356 F N 1.301 121.142 119.950 -0.181 0.000 2.678 356 F HA 0.095 4.623 4.527 0.001 0.000 0.305 356 F C 0.117 175.988 175.800 0.118 0.000 1.090 356 F CA -0.194 57.806 58.000 0.001 0.000 1.272 356 F CB -0.062 38.929 39.000 -0.014 0.000 1.060 356 F HN 0.636 nan 8.300 nan 0.000 0.576 357 Y N -0.568 119.799 120.300 0.112 0.000 2.864 357 Y HA -0.496 4.055 4.550 0.001 0.000 0.468 357 Y C 2.149 178.099 175.900 0.083 0.000 1.175 357 Y CA 1.145 59.286 58.100 0.069 0.000 2.601 357 Y CB -1.771 36.706 38.460 0.029 0.000 1.207 357 Y HN 0.014 nan 8.280 nan 0.000 0.627 358 S N 0.668 116.528 115.700 0.268 0.000 2.631 358 S HA 0.224 4.695 4.470 0.001 0.000 0.217 358 S C 0.261 174.936 174.600 0.124 0.000 0.958 358 S CA 0.027 58.315 58.200 0.147 0.000 0.920 358 S CB -0.344 62.918 63.200 0.103 0.000 0.776 358 S HN 0.311 nan 8.310 nan 0.000 0.517 359 I N 3.403 124.079 120.570 0.177 0.000 2.581 359 I HA 0.104 4.275 4.170 0.001 0.000 0.285 359 I C 0.797 176.955 176.117 0.069 0.000 1.129 359 I CA 0.190 61.581 61.300 0.152 0.000 1.397 359 I CB -0.182 37.977 38.000 0.265 0.000 1.399 359 I HN 0.271 nan 8.210 nan 0.000 0.537 360 K N 4.278 124.693 120.400 0.026 0.000 2.286 360 K HA 0.299 4.620 4.320 0.001 0.000 0.256 360 K C 0.306 176.855 176.600 -0.085 0.000 0.999 360 K CA -0.371 55.902 56.287 -0.024 0.000 0.908 360 K CB 0.514 33.005 32.500 -0.015 0.000 0.981 360 K HN 0.735 nan 8.250 nan 0.000 0.500 361 A N 0.982 123.728 122.820 -0.122 0.000 2.354 361 A HA 0.504 4.824 4.320 0.001 0.000 0.269 361 A C -0.317 177.176 177.584 -0.152 0.000 1.109 361 A CA -0.424 51.501 52.037 -0.187 0.000 0.800 361 A CB 0.631 19.508 19.000 -0.204 0.000 1.045 361 A HN 0.706 nan 8.150 nan 0.000 0.489 362 A N 1.243 123.970 122.820 -0.155 0.000 2.293 362 A HA 0.631 4.951 4.320 0.001 0.000 0.302 362 A C -0.658 176.897 177.584 -0.049 0.000 1.119 362 A CA -0.379 51.610 52.037 -0.080 0.000 0.823 362 A CB 0.168 19.120 19.000 -0.080 0.000 1.097 362 A HN 0.760 nan 8.150 nan 0.000 0.491 363 F N 2.898 122.803 119.950 -0.074 0.000 2.405 363 F HA 0.381 4.908 4.527 0.001 0.000 0.358 363 F C -2.072 173.677 175.800 -0.085 0.000 1.151 363 F CA -2.578 55.386 58.000 -0.060 0.000 1.161 363 F CB 0.805 39.783 39.000 -0.036 0.000 1.245 363 F HN 0.257 nan 8.300 nan 0.000 0.545 364 P HA 0.084 nan 4.420 nan 0.000 0.268 364 P C -0.787 176.541 177.300 0.047 0.000 1.204 364 P CA 0.177 63.332 63.100 0.091 0.000 0.768 364 P CB 0.550 32.299 31.700 0.080 0.000 0.842 365 T N 2.199 116.702 114.554 -0.085 0.000 2.809 365 T HA 0.340 4.691 4.350 0.001 0.000 0.284 365 T C -0.196 174.392 174.700 -0.188 0.000 0.992 365 T CA -0.380 61.599 62.100 -0.200 0.000 0.957 365 T CB 0.521 69.116 68.868 -0.455 0.000 0.942 365 T HN 0.074 nan 8.240 nan 0.000 0.439 366 S N 2.628 118.271 115.700 -0.095 0.000 2.438 366 S HA 0.719 5.189 4.470 0.001 0.000 0.293 366 S C -0.184 174.402 174.600 -0.023 0.000 1.141 366 S CA -0.537 57.640 58.200 -0.039 0.000 1.080 366 S CB 0.997 64.193 63.200 -0.007 0.000 0.978 366 S HN 0.723 nan 8.310 nan 0.000 0.479 367 S N 2.441 118.156 115.700 0.024 0.000 2.550 367 S HA 0.788 5.259 4.470 0.001 0.000 0.270 367 S C -0.666 173.995 174.600 0.103 0.000 1.145 367 S CA 0.200 58.453 58.200 0.087 0.000 0.852 367 S CB 1.348 64.656 63.200 0.180 0.000 1.119 367 S HN 1.557 nan 8.310 nan 0.000 0.465 368 G N 1.202 110.055 108.800 0.089 0.000 3.224 368 G HA2 0.440 4.401 3.960 0.001 0.000 0.684 368 G HA3 0.440 4.401 3.960 0.001 0.000 0.684 368 G C 0.944 175.865 174.900 0.034 0.000 1.180 368 G CA 0.384 45.527 45.100 0.072 0.000 1.099 368 G HN 2.231 nan 8.290 nan 0.000 0.476 369 G N 0.017 108.825 108.800 0.013 0.000 2.198 369 G HA2 -0.160 3.801 3.960 0.001 0.000 0.260 369 G HA3 -0.160 3.801 3.960 0.001 0.000 0.260 369 G C 0.580 175.472 174.900 -0.015 0.000 1.025 369 G CA 0.790 45.886 45.100 -0.007 0.000 0.769 369 G HN 1.442 nan 8.290 nan 0.000 0.507 370 L N 0.193 121.390 121.223 -0.044 0.000 2.357 370 L HA 0.750 5.091 4.340 0.001 0.000 0.273 370 L C 0.795 177.585 176.870 -0.134 0.000 1.080 370 L CA -0.832 53.948 54.840 -0.101 0.000 0.803 370 L CB 1.148 43.162 42.059 -0.074 0.000 1.174 370 L HN 0.622 nan 8.230 nan 0.000 0.443 371 H N 0.068 119.007 119.070 -0.218 0.000 2.966 371 H HA 0.385 4.942 4.556 0.001 0.000 0.330 371 H C -2.612 172.640 175.328 -0.126 0.000 1.292 371 H CA -1.883 53.991 56.048 -0.290 0.000 1.127 371 H CB 0.639 30.057 29.762 -0.573 0.000 1.863 371 H HN 0.121 nan 8.280 nan 0.000 0.543 372 P HA -0.088 nan 4.420 nan 0.000 0.218 372 P C 1.290 178.582 177.300 -0.013 0.000 1.146 372 P CA 2.429 65.544 63.100 0.025 0.000 0.813 372 P CB -0.099 31.688 31.700 0.145 0.000 0.778 373 G N -0.844 107.985 108.800 0.048 0.000 3.042 373 G HA2 -0.088 3.872 3.960 0.001 0.000 0.212 373 G HA3 -0.088 3.872 3.960 0.001 0.000 0.212 373 G C 0.809 175.620 174.900 -0.149 0.000 1.166 373 G CA 0.122 45.188 45.100 -0.057 0.000 0.767 373 G HN 0.349 nan 8.290 nan 0.000 0.546 374 N N 0.192 118.578 118.700 -0.524 0.000 2.240 374 N HA 0.054 4.794 4.740 0.001 0.000 0.240 374 N C 1.387 176.763 175.510 -0.224 0.000 1.277 374 N CA -0.211 52.632 53.050 -0.344 0.000 0.873 374 N CB -0.443 37.766 38.487 -0.463 0.000 1.222 374 N HN 0.431 nan 8.380 nan 0.000 0.507 375 I N -3.819 116.638 120.570 -0.188 0.000 3.427 375 I HA 0.141 4.312 4.170 0.001 0.000 0.288 375 I C 2.020 178.094 176.117 -0.071 0.000 1.249 375 I CA 0.099 61.328 61.300 -0.119 0.000 1.421 375 I CB 0.091 38.020 38.000 -0.119 0.000 1.086 375 I HN -0.060 nan 8.210 nan 0.000 0.448 376 Q N 2.672 122.441 119.800 -0.052 0.000 2.030 376 Q HA -0.142 4.199 4.340 0.001 0.000 0.204 376 Q C -0.367 175.616 176.000 -0.028 0.000 0.986 376 Q CA 2.589 58.373 55.803 -0.032 0.000 0.843 376 Q CB -1.452 27.283 28.738 -0.004 0.000 0.904 376 Q HN 0.358 nan 8.270 nan 0.000 0.420 377 P HA -0.112 nan 4.420 nan 0.000 0.216 377 P C 1.698 178.985 177.300 -0.022 0.000 1.150 377 P CA 1.230 64.317 63.100 -0.021 0.000 0.837 377 P CB -0.131 31.558 31.700 -0.018 0.000 0.786 378 V N -0.384 119.513 119.914 -0.028 0.000 2.307 378 V HA -0.211 3.909 4.120 0.001 0.000 0.245 378 V C 2.350 178.435 176.094 -0.014 0.000 1.045 378 V CA 1.609 63.897 62.300 -0.021 0.000 1.024 378 V CB -1.054 30.753 31.823 -0.027 0.000 0.651 378 V HN 0.058 nan 8.190 nan 0.000 0.449 379 I N 0.062 120.620 120.570 -0.019 0.000 2.394 379 I HA -0.207 3.963 4.170 0.001 0.000 0.251 379 I C 2.554 178.664 176.117 -0.011 0.000 1.136 379 I CA 1.617 62.910 61.300 -0.012 0.000 1.425 379 I CB -0.320 37.668 38.000 -0.021 0.000 1.079 379 I HN 0.441 nan 8.210 nan 0.000 0.425 380 E N 1.545 121.735 120.200 -0.016 0.000 2.152 380 E HA -0.176 4.175 4.350 0.001 0.000 0.192 380 E C 2.192 178.786 176.600 -0.011 0.000 0.983 380 E CA 1.127 57.519 56.400 -0.014 0.000 0.818 380 E CB 0.128 29.818 29.700 -0.017 0.000 0.758 380 E HN 0.479 nan 8.360 nan 0.000 0.467 381 A N 0.582 123.396 122.820 -0.010 0.000 1.943 381 A HA 0.079 4.400 4.320 0.001 0.000 0.213 381 A C 1.929 179.510 177.584 -0.005 0.000 1.181 381 A CA 0.465 52.496 52.037 -0.010 0.000 0.653 381 A CB -0.045 18.947 19.000 -0.013 0.000 0.833 381 A HN 0.274 nan 8.150 nan 0.000 0.451 382 L N -1.288 119.935 121.223 0.000 0.000 2.693 382 L HA 0.389 4.730 4.340 0.001 0.000 0.235 382 L C 1.198 178.078 176.870 0.017 0.000 1.127 382 L CA 0.237 55.083 54.840 0.009 0.000 0.914 382 L CB -0.360 41.709 42.059 0.016 0.000 1.193 382 L HN 0.583 nan 8.230 nan 0.000 0.502 383 G N 1.007 109.814 108.800 0.012 0.000 2.725 383 G HA2 -0.297 3.664 3.960 0.001 0.000 0.220 383 G HA3 -0.297 3.664 3.960 0.001 0.000 0.220 383 G C 0.520 175.439 174.900 0.031 0.000 1.357 383 G CA -0.001 45.108 45.100 0.016 0.000 0.866 383 G HN 0.192 nan 8.290 nan 0.000 0.548 384 T N -3.226 111.352 114.554 0.038 0.000 3.051 384 T HA 0.225 4.575 4.350 0.001 0.000 0.255 384 T C 0.859 175.633 174.700 0.124 0.000 1.085 384 T CA 1.303 63.440 62.100 0.061 0.000 1.109 384 T CB 0.260 69.154 68.868 0.044 0.000 0.921 384 T HN 0.406 nan 8.240 nan 0.000 0.488 385 D N 2.798 123.266 120.400 0.114 0.000 2.767 385 D HA 0.305 4.946 4.640 0.001 0.000 0.231 385 D C 0.146 176.666 176.300 0.366 0.000 1.105 385 D CA -0.043 54.062 54.000 0.176 0.000 1.024 385 D CB -0.510 40.264 40.800 -0.042 0.000 1.123 385 D HN 0.725 nan 8.370 nan 0.000 0.470 386 I N -3.367 117.460 120.570 0.428 0.000 2.969 386 I HA 0.538 4.709 4.170 0.001 0.000 0.307 386 I C -0.786 175.359 176.117 0.046 0.000 1.149 386 I CA -1.214 60.269 61.300 0.305 0.000 1.008 386 I CB 2.147 40.223 38.000 0.126 0.000 1.232 386 I HN -0.387 nan 8.210 nan 0.000 0.435 387 V N 4.728 124.558 119.914 -0.139 0.000 2.394 387 V HA 0.433 4.553 4.120 0.001 0.000 0.282 387 V C 0.083 176.158 176.094 -0.031 0.000 1.031 387 V CA -0.411 61.761 62.300 -0.213 0.000 0.881 387 V CB 1.257 32.879 31.823 -0.335 0.000 0.982 387 V HN 0.489 nan 8.190 nan 0.000 0.451 388 L N 4.626 125.886 121.223 0.061 0.000 2.309 388 L HA 0.586 4.926 4.340 0.001 0.000 0.282 388 L C -0.072 176.902 176.870 0.173 0.000 1.036 388 L CA -0.226 54.670 54.840 0.093 0.000 0.806 388 L CB 1.569 43.680 42.059 0.087 0.000 1.220 388 L HN 0.542 nan 8.230 nan 0.000 0.429 389 Q N 3.890 123.770 119.800 0.133 0.000 2.321 389 Q HA 0.494 4.834 4.340 0.001 0.000 0.270 389 Q C -1.838 174.226 176.000 0.107 0.000 1.032 389 Q CA -0.766 55.124 55.803 0.144 0.000 0.784 389 Q CB 2.099 30.956 28.738 0.198 0.000 1.264 389 Q HN 0.430 nan 8.270 nan 0.000 0.448 390 L N 3.520 124.807 121.223 0.106 0.000 2.415 390 L HA 0.499 4.840 4.340 0.001 0.000 0.268 390 L C 0.855 177.752 176.870 0.044 0.000 0.984 390 L CA -0.167 54.718 54.840 0.075 0.000 0.853 390 L CB 1.883 44.000 42.059 0.098 0.000 1.215 390 L HN 0.806 nan 8.230 nan 0.000 0.419 391 G N 1.641 110.455 108.800 0.023 0.000 2.655 391 G HA2 0.087 4.048 3.960 0.001 0.000 0.217 391 G HA3 0.087 4.048 3.960 0.001 0.000 0.217 391 G C 1.251 176.155 174.900 0.006 0.000 1.279 391 G CA 0.682 45.794 45.100 0.020 0.000 0.870 391 G HN 0.707 nan 8.290 nan 0.000 0.560 392 G N 0.598 109.388 108.800 -0.016 0.000 2.408 392 G HA2 0.117 4.077 3.960 0.001 0.000 0.217 392 G HA3 0.117 4.077 3.960 0.001 0.000 0.217 392 G C 1.665 176.490 174.900 -0.126 0.000 1.150 392 G CA 1.277 46.362 45.100 -0.025 0.000 0.776 392 G HN 0.676 nan 8.290 nan 0.000 0.542 393 G N -0.712 107.917 108.800 -0.285 0.000 2.708 393 G HA2 0.161 4.121 3.960 0.001 0.000 0.210 393 G HA3 0.161 4.121 3.960 0.001 0.000 0.210 393 G C 1.342 176.136 174.900 -0.175 0.000 1.141 393 G CA 1.510 46.264 45.100 -0.576 0.000 0.788 393 G HN 0.406 nan 8.290 nan 0.000 0.531 394 T N -0.000 114.570 114.554 0.027 0.000 3.182 394 T HA 0.126 4.477 4.350 0.001 0.000 0.244 394 T C 2.066 176.881 174.700 0.192 0.000 0.981 394 T CA -0.198 61.989 62.100 0.145 0.000 1.182 394 T CB -0.030 68.915 68.868 0.129 0.000 1.043 394 T HN 0.095 nan 8.240 nan 0.000 0.424 395 L N 1.300 122.599 121.223 0.127 0.000 2.610 395 L HA 0.266 4.606 4.340 0.001 0.000 0.232 395 L C 2.256 179.233 176.870 0.178 0.000 1.149 395 L CA 0.513 55.420 54.840 0.112 0.000 0.872 395 L CB -0.275 41.810 42.059 0.043 0.000 0.992 395 L HN 0.318 nan 8.230 nan 0.000 0.447 396 G N -2.433 106.548 108.800 0.302 0.000 3.088 396 G HA2 -0.074 3.886 3.960 0.001 0.000 0.217 396 G HA3 -0.074 3.886 3.960 0.001 0.000 0.217 396 G C 0.554 175.700 174.900 0.409 0.000 1.159 396 G CA -0.309 45.034 45.100 0.405 0.000 0.760 396 G HN 0.266 nan 8.290 nan 0.000 0.550 397 H N 1.945 121.208 119.070 0.321 0.000 2.928 397 H HA 0.051 4.608 4.556 0.001 0.000 0.338 397 H C -1.037 174.265 175.328 -0.043 0.000 1.047 397 H CA -0.939 55.164 56.048 0.092 0.000 1.435 397 H CB 2.008 31.848 29.762 0.131 0.000 1.428 397 H HN 0.026 nan 8.280 nan 0.000 0.590 398 P HA -0.137 nan 4.420 nan 0.000 0.216 398 P C 0.604 177.909 177.300 0.009 0.000 1.150 398 P CA 1.090 64.057 63.100 -0.222 0.000 0.837 398 P CB 0.432 31.912 31.700 -0.368 0.000 0.786 399 D N -0.524 120.033 120.400 0.262 0.000 2.363 399 D HA 0.202 4.843 4.640 0.001 0.000 0.220 399 D C 1.345 177.742 176.300 0.162 0.000 0.994 399 D CA 1.068 55.211 54.000 0.238 0.000 0.890 399 D CB -0.036 40.931 40.800 0.278 0.000 0.906 399 D HN 0.261 nan 8.370 nan 0.000 0.530 400 G N 0.409 109.333 108.800 0.206 0.000 2.555 400 G HA2 -0.158 3.803 3.960 0.001 0.000 0.686 400 G HA3 -0.158 3.803 3.960 0.001 0.000 0.686 400 G C -2.247 172.680 174.900 0.044 0.000 1.275 400 G CA -0.737 44.417 45.100 0.090 0.000 0.871 400 G HN -0.183 nan 8.290 nan 0.000 0.603 401 P HA -0.158 nan 4.420 nan 0.000 0.214 401 P C 2.426 179.694 177.300 -0.053 0.000 1.172 401 P CA 3.364 66.461 63.100 -0.006 0.000 0.925 401 P CB -0.137 31.545 31.700 -0.030 0.000 0.793 402 A N -0.335 122.444 122.820 -0.068 0.000 1.927 402 A HA -0.262 4.058 4.320 0.001 0.000 0.220 402 A C 2.363 179.870 177.584 -0.128 0.000 1.185 402 A CA 2.839 54.821 52.037 -0.091 0.000 0.639 402 A CB -1.738 17.215 19.000 -0.079 0.000 0.820 402 A HN 0.248 nan 8.150 nan 0.000 0.451 403 A N -0.794 121.921 122.820 -0.175 0.000 1.898 403 A HA 0.159 4.480 4.320 0.001 0.000 0.216 403 A C 2.439 179.686 177.584 -0.562 0.000 1.181 403 A CA 1.924 53.749 52.037 -0.352 0.000 0.620 403 A CB -1.390 17.381 19.000 -0.381 0.000 0.819 403 A HN 0.779 nan 8.150 nan 0.000 0.442 404 G N -0.330 108.222 108.800 -0.413 0.000 2.433 404 G HA2 -0.030 3.931 3.960 0.001 0.000 0.216 404 G HA3 -0.030 3.931 3.960 0.001 0.000 0.216 404 G C 1.802 176.660 174.900 -0.070 0.000 1.186 404 G CA 1.616 46.615 45.100 -0.169 0.000 0.779 404 G HN 0.813 nan 8.290 nan 0.000 0.543 405 A N 0.828 123.631 122.820 -0.029 0.000 1.892 405 A HA -0.104 4.217 4.320 0.001 0.000 0.218 405 A C 2.450 180.007 177.584 -0.044 0.000 1.188 405 A CA 1.858 53.925 52.037 0.050 0.000 0.631 405 A CB -0.460 18.569 19.000 0.048 0.000 0.822 405 A HN 0.377 nan 8.150 nan 0.000 0.447 406 R N -0.710 119.739 120.500 -0.085 0.000 2.081 406 R HA -0.103 4.238 4.340 0.001 0.000 0.235 406 R C 2.510 178.759 176.300 -0.086 0.000 1.131 406 R CA 1.202 57.253 56.100 -0.082 0.000 0.960 406 R CB -0.504 29.747 30.300 -0.080 0.000 0.856 406 R HN 0.543 nan 8.270 nan 0.000 0.436 407 A N 0.835 123.596 122.820 -0.098 0.000 1.858 407 A HA -0.124 4.196 4.320 0.001 0.000 0.216 407 A C 2.400 179.940 177.584 -0.074 0.000 1.190 407 A CA 1.485 53.505 52.037 -0.030 0.000 0.617 407 A CB -0.674 18.368 19.000 0.070 0.000 0.827 407 A HN 0.103 nan 8.150 nan 0.000 0.443 408 V N 0.507 120.323 119.914 -0.164 0.000 2.252 408 V HA -0.312 3.809 4.120 0.001 0.000 0.249 408 V C 2.767 178.641 176.094 -0.368 0.000 1.056 408 V CA 2.286 64.376 62.300 -0.350 0.000 1.022 408 V CB -0.886 30.472 31.823 -0.774 0.000 0.641 408 V HN 0.475 nan 8.190 nan 0.000 0.445 409 R N 0.001 120.293 120.500 -0.346 0.000 2.091 409 R HA -0.185 4.156 4.340 0.001 0.000 0.238 409 R C 2.292 178.504 176.300 -0.146 0.000 1.136 409 R CA 1.664 57.632 56.100 -0.220 0.000 0.959 409 R CB -0.775 29.453 30.300 -0.119 0.000 0.856 409 R HN 0.667 nan 8.270 nan 0.000 0.437 410 Q N -0.120 119.617 119.800 -0.106 0.000 2.135 410 Q HA -0.085 4.255 4.340 0.001 0.000 0.204 410 Q C 2.109 178.042 176.000 -0.111 0.000 0.981 410 Q CA 1.692 57.461 55.803 -0.057 0.000 0.856 410 Q CB -0.193 28.517 28.738 -0.046 0.000 0.902 410 Q HN 0.368 nan 8.270 nan 0.000 0.425 411 A N 0.840 123.591 122.820 -0.115 0.000 1.898 411 A HA -0.148 4.173 4.320 0.001 0.000 0.216 411 A C 2.029 179.502 177.584 -0.184 0.000 1.181 411 A CA 1.007 52.967 52.037 -0.128 0.000 0.620 411 A CB -0.522 18.423 19.000 -0.092 0.000 0.819 411 A HN 0.285 nan 8.150 nan 0.000 0.442 412 I N -0.122 120.338 120.570 -0.184 0.000 2.179 412 I HA -0.238 3.933 4.170 0.001 0.000 0.242 412 I C 1.976 177.987 176.117 -0.177 0.000 1.088 412 I CA 1.503 62.707 61.300 -0.160 0.000 1.357 412 I CB -0.584 37.331 38.000 -0.141 0.000 1.051 412 I HN 0.240 nan 8.210 nan 0.000 0.409 413 D N 1.303 121.583 120.400 -0.201 0.000 2.106 413 D HA -0.198 4.442 4.640 0.001 0.000 0.191 413 D C 2.258 178.325 176.300 -0.388 0.000 0.997 413 D CA 1.779 55.643 54.000 -0.227 0.000 0.834 413 D CB -0.383 40.316 40.800 -0.169 0.000 0.956 413 D HN 0.348 nan 8.370 nan 0.000 0.448 414 A N 1.054 123.457 122.820 -0.696 0.000 1.884 414 A HA -0.229 4.092 4.320 0.001 0.000 0.219 414 A C 2.465 179.832 177.584 -0.363 0.000 1.197 414 A CA 1.624 53.163 52.037 -0.830 0.000 0.637 414 A CB -0.985 17.499 19.000 -0.859 0.000 0.827 414 A HN 0.258 nan 8.150 nan 0.000 0.450 415 I N -0.807 119.616 120.570 -0.246 0.000 2.163 415 I HA -0.312 3.858 4.170 0.001 0.000 0.243 415 I C 2.719 178.767 176.117 -0.115 0.000 1.085 415 I CA 1.406 62.622 61.300 -0.140 0.000 1.347 415 I CB -0.463 37.474 38.000 -0.105 0.000 1.044 415 I HN 0.315 nan 8.210 nan 0.000 0.408 416 M N 0.154 119.681 119.600 -0.121 0.000 2.082 416 M HA -0.263 4.217 4.480 0.001 0.000 0.258 416 M C 2.189 178.443 176.300 -0.077 0.000 1.069 416 M CA 1.949 57.199 55.300 -0.083 0.000 1.102 416 M CB -1.246 31.309 32.600 -0.075 0.000 1.336 416 M HN 0.338 nan 8.290 nan 0.000 0.404 417 Q N -0.554 119.180 119.800 -0.109 0.000 2.472 417 Q HA 0.159 4.500 4.340 0.001 0.000 0.208 417 Q C 0.684 176.644 176.000 -0.065 0.000 0.958 417 Q CA 0.421 56.177 55.803 -0.079 0.000 0.932 417 Q CB -0.021 28.666 28.738 -0.086 0.000 1.007 417 Q HN 0.767 nan 8.270 nan 0.000 0.508 418 G N 1.782 110.533 108.800 -0.081 0.000 2.324 418 G HA2 -0.246 3.714 3.960 0.001 0.000 0.292 418 G HA3 -0.246 3.714 3.960 0.001 0.000 0.292 418 G C -0.313 174.561 174.900 -0.042 0.000 1.079 418 G CA -0.101 44.966 45.100 -0.055 0.000 1.026 418 G HN 0.301 nan 8.290 nan 0.000 0.506 419 I N 0.351 120.881 120.570 -0.067 0.000 2.439 419 I HA 0.273 4.444 4.170 0.001 0.000 0.285 419 I C -2.130 173.988 176.117 0.001 0.000 1.021 419 I CA -2.533 58.757 61.300 -0.016 0.000 1.091 419 I CB 2.239 40.249 38.000 0.017 0.000 1.242 419 I HN -0.123 nan 8.210 nan 0.000 0.439 420 P HA -0.024 nan 4.420 nan 0.000 0.259 420 P C 1.007 178.371 177.300 0.107 0.000 1.155 420 P CA 0.336 63.468 63.100 0.053 0.000 0.759 420 P CB 0.518 32.248 31.700 0.051 0.000 0.753 421 L N 2.027 123.326 121.223 0.126 0.000 2.189 421 L HA -0.224 4.116 4.340 0.001 0.000 0.214 421 L C 1.617 178.610 176.870 0.205 0.000 1.097 421 L CA 1.462 56.405 54.840 0.172 0.000 0.764 421 L CB -0.559 41.609 42.059 0.182 0.000 0.900 421 L HN 0.386 nan 8.230 nan 0.000 0.436 422 D N 0.256 120.775 120.400 0.197 0.000 2.144 422 D HA -0.171 4.470 4.640 0.001 0.000 0.199 422 D C 2.350 178.732 176.300 0.137 0.000 0.984 422 D CA 1.650 55.752 54.000 0.169 0.000 0.834 422 D CB 0.067 40.956 40.800 0.149 0.000 0.955 422 D HN 0.531 nan 8.370 nan 0.000 0.465 423 E N 0.384 120.669 120.200 0.141 0.000 2.021 423 E HA -0.162 4.189 4.350 0.001 0.000 0.189 423 E C 1.976 178.683 176.600 0.179 0.000 0.980 423 E CA 0.658 57.137 56.400 0.131 0.000 0.803 423 E CB -1.394 28.378 29.700 0.120 0.000 0.766 423 E HN 0.365 nan 8.360 nan 0.000 0.449 424 Y N 1.159 121.517 120.300 0.097 0.000 2.228 424 Y HA -0.121 4.430 4.550 0.001 0.000 0.285 424 Y C 2.680 178.738 175.900 0.264 0.000 1.178 424 Y CA 1.562 59.758 58.100 0.159 0.000 1.202 424 Y CB -0.508 37.993 38.460 0.069 0.000 0.974 424 Y HN 0.310 nan 8.280 nan 0.000 0.527 425 A N -0.236 122.726 122.820 0.237 0.000 2.015 425 A HA -0.179 4.142 4.320 0.001 0.000 0.219 425 A C 2.150 179.778 177.584 0.074 0.000 1.163 425 A CA 1.547 53.681 52.037 0.163 0.000 0.646 425 A CB -0.471 18.607 19.000 0.131 0.000 0.806 425 A HN 0.499 nan 8.150 nan 0.000 0.448 426 K N -0.579 119.845 120.400 0.040 0.000 2.280 426 K HA -0.074 4.247 4.320 0.001 0.000 0.202 426 K C 1.015 177.554 176.600 -0.101 0.000 1.047 426 K CA 1.609 57.885 56.287 -0.018 0.000 0.942 426 K CB -0.121 32.374 32.500 -0.008 0.000 0.739 426 K HN 0.499 nan 8.250 nan 0.000 0.457 427 T N -0.816 113.616 114.554 -0.203 0.000 3.054 427 T HA 0.086 4.436 4.350 0.001 0.000 0.255 427 T C -0.507 173.743 174.700 -0.750 0.000 1.035 427 T CA -0.051 61.759 62.100 -0.484 0.000 0.941 427 T CB 0.091 68.558 68.868 -0.669 0.000 1.026 427 T HN 0.176 nan 8.240 nan 0.000 0.533 428 H N 0.103 119.070 119.070 -0.171 0.000 3.078 428 H HA 0.542 5.098 4.556 0.001 0.000 0.319 428 H C 1.023 176.322 175.328 -0.049 0.000 0.995 428 H CA -0.505 55.467 56.048 -0.126 0.000 1.417 428 H CB 1.023 30.690 29.762 -0.159 0.000 1.598 428 H HN 0.014 nan 8.280 nan 0.000 0.515 429 K N 2.377 122.801 120.400 0.040 0.000 2.020 429 K HA -0.214 4.107 4.320 0.001 0.000 0.212 429 K C 1.703 178.358 176.600 0.093 0.000 1.050 429 K CA 2.194 58.506 56.287 0.042 0.000 0.929 429 K CB -0.538 31.972 32.500 0.017 0.000 0.714 429 K HN 0.650 nan 8.250 nan 0.000 0.443 430 E N 0.236 120.494 120.200 0.097 0.000 2.048 430 E HA -0.191 4.160 4.350 0.001 0.000 0.202 430 E C 2.026 178.763 176.600 0.228 0.000 1.021 430 E CA 1.500 57.974 56.400 0.125 0.000 0.825 430 E CB -0.461 29.229 29.700 -0.017 0.000 0.756 430 E HN 0.410 nan 8.360 nan 0.000 0.454 431 L N 0.534 121.849 121.223 0.153 0.000 2.012 431 L HA -0.173 4.167 4.340 0.001 0.000 0.210 431 L C 2.092 179.039 176.870 0.128 0.000 1.073 431 L CA 2.317 57.247 54.840 0.150 0.000 0.748 431 L CB -1.027 41.114 42.059 0.138 0.000 0.891 431 L HN 0.148 nan 8.230 nan 0.000 0.431 432 A N -0.435 122.447 122.820 0.104 0.000 1.865 432 A HA -0.231 4.089 4.320 0.001 0.000 0.217 432 A C 2.344 179.928 177.584 -0.000 0.000 1.191 432 A CA 1.826 53.894 52.037 0.051 0.000 0.623 432 A CB -0.598 18.424 19.000 0.036 0.000 0.826 432 A HN 0.472 nan 8.150 nan 0.000 0.444 433 R N -0.424 120.079 120.500 0.005 0.000 2.091 433 R HA -0.151 4.190 4.340 0.001 0.000 0.238 433 R C 2.443 178.566 176.300 -0.296 0.000 1.136 433 R CA 1.517 57.540 56.100 -0.128 0.000 0.959 433 R CB -1.187 29.062 30.300 -0.085 0.000 0.856 433 R HN 0.565 nan 8.270 nan 0.000 0.437 434 A N 1.322 124.056 122.820 -0.143 0.000 1.858 434 A HA -0.104 4.217 4.320 0.001 0.000 0.216 434 A C 2.418 179.943 177.584 -0.099 0.000 1.190 434 A CA 1.116 53.068 52.037 -0.141 0.000 0.617 434 A CB -0.655 18.538 19.000 0.321 0.000 0.827 434 A HN 0.202 nan 8.150 nan 0.000 0.443 435 L N -0.627 120.591 121.223 -0.008 0.000 2.127 435 L HA -0.221 4.120 4.340 0.001 0.000 0.211 435 L C 2.613 179.423 176.870 -0.100 0.000 1.089 435 L CA 1.788 56.606 54.840 -0.037 0.000 0.757 435 L CB -0.490 41.549 42.059 -0.033 0.000 0.899 435 L HN 0.651 nan 8.230 nan 0.000 0.434 436 E N 0.696 120.808 120.200 -0.147 0.000 2.150 436 E HA -0.263 4.087 4.350 0.001 0.000 0.193 436 E C 2.209 178.656 176.600 -0.256 0.000 0.985 436 E CA 1.148 57.448 56.400 -0.166 0.000 0.814 436 E CB 0.168 29.770 29.700 -0.163 0.000 0.752 436 E HN 0.366 nan 8.360 nan 0.000 0.466 437 K N -0.810 119.322 120.400 -0.448 0.000 2.166 437 K HA -0.051 4.270 4.320 0.001 0.000 0.201 437 K C 1.252 177.488 176.600 -0.606 0.000 1.052 437 K CA 0.957 56.834 56.287 -0.682 0.000 0.969 437 K CB 0.159 31.926 32.500 -1.223 0.000 0.761 437 K HN 0.222 nan 8.250 nan 0.000 0.459 438 W N 0.371 121.539 121.300 -0.220 0.000 2.865 438 W HA 0.301 4.961 4.660 0.001 0.000 0.300 438 W C 1.159 177.543 176.519 -0.225 0.000 1.096 438 W CA 0.426 57.564 57.345 -0.346 0.000 1.524 438 W CB -0.349 28.644 29.460 -0.778 0.000 0.991 438 W HN 0.400 nan 8.180 nan 0.000 0.571 439 G N 1.997 110.812 108.800 0.025 0.000 2.629 439 G HA2 -0.334 3.627 3.960 0.001 0.000 0.313 439 G HA3 -0.334 3.627 3.960 0.001 0.000 0.313 439 G C 0.374 175.230 174.900 -0.073 0.000 1.217 439 G CA 1.205 46.293 45.100 -0.021 0.000 0.994 439 G HN 0.472 nan 8.290 nan 0.000 0.549 440 H N 0.338 119.550 119.070 0.236 0.000 2.492 440 H HA 0.377 4.933 4.556 0.001 0.000 0.264 440 H C 0.915 176.380 175.328 0.228 0.000 1.150 440 H CA 0.384 56.574 56.048 0.236 0.000 0.962 440 H CB 0.002 29.834 29.762 0.117 0.000 1.766 440 H HN 0.671 nan 8.280 nan 0.000 0.589 441 V N 0.060 120.188 119.914 0.356 0.000 2.775 441 V HA 0.261 4.381 4.120 0.001 0.000 0.299 441 V C 0.594 176.857 176.094 0.282 0.000 1.062 441 V CA -0.222 62.231 62.300 0.255 0.000 1.063 441 V CB 1.420 33.344 31.823 0.168 0.000 0.994 441 V HN 0.113 nan 8.190 nan 0.000 0.483 442 T N 6.412 121.063 114.554 0.161 0.000 2.891 442 T HA 0.408 4.759 4.350 0.001 0.000 0.315 442 T C -2.337 172.419 174.700 0.093 0.000 1.054 442 T CA -0.582 61.586 62.100 0.114 0.000 0.958 442 T CB 0.450 69.361 68.868 0.072 0.000 1.008 442 T HN 0.779 nan 8.240 nan 0.000 0.521 443 P HA 0.225 nan 4.420 nan 0.000 0.265 443 P C -0.529 176.799 177.300 0.048 0.000 1.193 443 P CA -0.125 63.011 63.100 0.060 0.000 0.765 443 P CB 0.601 32.323 31.700 0.038 0.000 0.823 444 V N 0.000 119.940 119.914 0.043 0.000 2.409 444 V HA 0.000 4.121 4.120 0.001 0.000 0.244 444 V CA 0.000 62.322 62.300 0.037 0.000 1.235 444 V CB 0.000 31.845 31.823 0.037 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556