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 2ahu_1_D DATA FIRST_RESID 4 DATA SEQUENCE VKPPRINGRV PVLSAQEAVN YIPDEATLCV LGAGGGILEA TTLITALADK DATA SEQUENCE YKQTQTPRNL SIISPTGLGD RADRGISPLA QEGLVKWALC GHWGQSPRIS DATA SEQUENCE DLAEQNKIIA YNYPQGVLTQ TLRAAAAHQP GIISDIGIGT FVDPRQQGGK DATA SEQUENCE LNEVTKEDLI KLVEFDNKEY LYYKAIAPDI AFIRATTCDS EGYATFEDEV DATA SEQUENCE XYLDALVIAQ AVHNNGGIVX XQVQKXVKKA TLHPKSVRIP GYLVDIVVVD DATA SEQUENCE PDQSQLYGGA PVNRFISGDF TLDXXXXXXL PLNQRKLVAR RALFEXRKGA DATA SEQUENCE VGNVGVGIAD GIGLVAREEG CADDFILTVE TGPIGGITSX XXXXGANVNT DATA SEQUENCE RAILDXTSQF DFYHGGGLDV CYLSFAEVDQ HGNVGVHKFN GKIXGTGGFI DATA SEQUENCE DISATSKKII FCGTLTAGSL KTEIADGKLN IVQEGRVKKF IRELPEITFS DATA SEQUENCE GKIALERGLD VRYITERAVF TLKEDGLHLI EIAPGVDLQK DILDKXDFTP DATA SEQUENCE VISPELKLXD ERLFIDAAXG FVLPEA 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.215 176.094 0.202 0.000 1.182 4 V CA 0.000 62.392 62.300 0.154 0.000 1.235 4 V CB 0.000 31.925 31.823 0.170 0.000 1.184 5 K N 3.853 124.306 120.400 0.088 0.000 2.375 5 K HA 0.707 5.027 4.320 -0.000 0.000 0.249 5 K C -2.765 173.785 176.600 -0.084 0.000 0.942 5 K CA -1.842 54.393 56.287 -0.086 0.000 0.806 5 K CB 3.079 35.536 32.500 -0.071 0.000 1.227 5 K HN 0.355 nan 8.250 nan 0.000 0.430 6 P HA 0.101 nan 4.420 nan 0.000 0.268 6 P C -2.514 174.756 177.300 -0.050 0.000 1.204 6 P CA -0.895 62.147 63.100 -0.097 0.000 0.768 6 P CB -0.257 31.341 31.700 -0.169 0.000 0.842 7 P HA 0.265 nan 4.420 nan 0.000 0.278 7 P C -0.220 177.081 177.300 0.003 0.000 1.238 7 P CA -0.345 62.758 63.100 0.005 0.000 0.794 7 P CB 1.009 32.720 31.700 0.019 0.000 0.955 8 R N 1.869 122.374 120.500 0.008 0.000 2.438 8 R HA 0.406 4.746 4.340 -0.000 0.000 0.287 8 R C 0.044 176.355 176.300 0.017 0.000 1.077 8 R CA -0.488 55.620 56.100 0.013 0.000 1.034 8 R CB 0.112 30.425 30.300 0.021 0.000 0.993 8 R HN 0.462 nan 8.270 nan 0.000 0.459 9 I N 3.389 123.969 120.570 0.017 0.000 2.312 9 I HA 0.065 4.234 4.170 -0.000 0.000 0.290 9 I C 0.090 176.219 176.117 0.020 0.000 1.008 9 I CA -0.441 60.869 61.300 0.018 0.000 1.226 9 I CB 1.007 39.016 38.000 0.016 0.000 1.371 9 I HN 0.624 nan 8.210 nan 0.000 0.468 10 N N 5.448 124.161 118.700 0.020 0.000 2.710 10 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 10 N C 1.034 176.562 175.510 0.029 0.000 1.059 10 N CA 1.237 54.300 53.050 0.022 0.000 0.720 10 N CB -0.839 37.658 38.487 0.017 0.000 0.983 10 N HN 1.192 nan 8.380 nan 0.000 0.544 11 G N -0.932 107.889 108.800 0.035 0.000 2.205 11 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.261 11 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.261 11 G C 0.122 175.052 174.900 0.050 0.000 0.980 11 G CA 0.496 45.626 45.100 0.049 0.000 0.632 11 G HN 0.564 nan 8.290 nan 0.000 0.533 12 R N 0.414 120.935 120.500 0.036 0.000 2.389 12 R HA 0.450 4.790 4.340 -0.000 0.000 0.295 12 R C 0.430 176.743 176.300 0.022 0.000 1.075 12 R CA -0.261 55.858 56.100 0.032 0.000 1.005 12 R CB 1.861 32.175 30.300 0.023 0.000 0.987 12 R HN 0.244 nan 8.270 nan 0.000 0.452 13 V N 5.557 125.481 119.914 0.018 0.000 2.599 13 V HA 0.053 4.173 4.120 -0.000 0.000 0.300 13 V C -1.901 174.189 176.094 -0.008 0.000 1.034 13 V CA -1.505 60.795 62.300 -0.000 0.000 1.115 13 V CB 0.595 32.410 31.823 -0.012 0.000 0.934 13 V HN 0.629 nan 8.190 nan 0.000 0.485 14 P HA 0.119 nan 4.420 nan 0.000 0.264 14 P C -1.037 176.250 177.300 -0.023 0.000 1.193 14 P CA 0.224 63.310 63.100 -0.023 0.000 0.763 14 P CB 0.463 32.133 31.700 -0.050 0.000 0.810 15 V N 5.495 125.403 119.914 -0.010 0.000 2.384 15 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 15 V C 0.264 176.359 176.094 0.001 0.000 1.020 15 V CA -0.334 61.961 62.300 -0.008 0.000 0.850 15 V CB 1.036 32.855 31.823 -0.005 0.000 0.987 15 V HN 0.389 nan 8.190 nan 0.000 0.436 16 L N 3.125 124.349 121.223 0.002 0.000 2.309 16 L HA 0.643 4.983 4.340 -0.000 0.000 0.261 16 L C 0.503 177.381 176.870 0.013 0.000 1.021 16 L CA -0.674 54.180 54.840 0.022 0.000 0.823 16 L CB 2.641 44.730 42.059 0.049 0.000 1.366 16 L HN 0.727 nan 8.230 nan 0.000 0.423 17 S N 0.175 115.887 115.700 0.021 0.000 2.584 17 S HA 0.271 4.741 4.470 -0.000 0.000 0.270 17 S C 1.056 175.659 174.600 0.006 0.000 1.346 17 S CA 0.035 58.240 58.200 0.009 0.000 1.018 17 S CB 1.468 64.675 63.200 0.012 0.000 0.899 17 S HN 0.731 nan 8.310 nan 0.000 0.542 18 A N 1.532 124.342 122.820 -0.017 0.000 1.908 18 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 18 A C 2.243 179.822 177.584 -0.007 0.000 1.181 18 A CA 1.909 53.922 52.037 -0.040 0.000 0.627 18 A CB -1.203 17.756 19.000 -0.069 0.000 0.818 18 A HN 0.897 nan 8.150 nan 0.000 0.445 19 Q N 0.022 119.826 119.800 0.007 0.000 2.061 19 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 19 Q C 1.919 177.945 176.000 0.044 0.000 0.984 19 Q CA 1.941 57.758 55.803 0.023 0.000 0.846 19 Q CB -0.332 28.416 28.738 0.016 0.000 0.902 19 Q HN 0.798 nan 8.270 nan 0.000 0.421 20 E N 0.396 120.629 120.200 0.055 0.000 2.051 20 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 20 E C 2.032 178.742 176.600 0.183 0.000 0.991 20 E CA 0.926 57.383 56.400 0.095 0.000 0.799 20 E CB -0.244 29.516 29.700 0.101 0.000 0.748 20 E HN 0.409 nan 8.360 nan 0.000 0.449 21 A N 1.287 124.202 122.820 0.158 0.000 1.883 21 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 21 A C 2.538 180.281 177.584 0.264 0.000 1.186 21 A CA 1.868 54.028 52.037 0.205 0.000 0.624 21 A CB -0.986 18.057 19.000 0.072 0.000 0.822 21 A HN 0.254 nan 8.150 nan 0.000 0.444 22 V N -2.035 117.979 119.914 0.166 0.000 3.141 22 V HA -0.120 4.000 4.120 -0.000 0.000 0.265 22 V C 1.503 177.691 176.094 0.157 0.000 1.126 22 V CA 1.929 64.342 62.300 0.189 0.000 1.141 22 V CB -1.131 30.785 31.823 0.154 0.000 0.743 22 V HN 0.426 nan 8.190 nan 0.000 0.492 23 N N 0.337 119.095 118.700 0.097 0.000 2.453 23 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 23 N C 1.294 176.731 175.510 -0.123 0.000 1.041 23 N CA 1.449 54.476 53.050 -0.039 0.000 0.900 23 N CB -0.450 37.952 38.487 -0.141 0.000 0.961 23 N HN 0.717 nan 8.380 nan 0.000 0.443 24 Y N 0.391 120.729 120.300 0.063 0.000 2.529 24 Y HA 0.227 4.777 4.550 -0.000 0.000 0.290 24 Y C 0.617 176.553 175.900 0.061 0.000 1.177 24 Y CA -0.081 58.053 58.100 0.057 0.000 1.305 24 Y CB 0.051 38.545 38.460 0.058 0.000 1.047 24 Y HN -0.083 nan 8.280 nan 0.000 0.522 25 I N 3.969 124.643 120.570 0.173 0.000 2.337 25 I HA 0.163 4.333 4.170 -0.000 0.000 0.291 25 I C -2.062 174.101 176.117 0.077 0.000 1.046 25 I CA -2.048 59.327 61.300 0.125 0.000 1.324 25 I CB 0.732 38.812 38.000 0.133 0.000 1.409 25 I HN -0.097 nan 8.210 nan 0.000 0.494 26 P HA 0.209 nan 4.420 nan 0.000 0.278 26 P C -0.951 176.369 177.300 0.033 0.000 1.258 26 P CA -0.591 62.532 63.100 0.038 0.000 0.811 26 P CB 0.649 32.368 31.700 0.031 0.000 1.063 27 D N 0.805 121.224 120.400 0.032 0.000 2.478 27 D HA -0.045 4.595 4.640 -0.000 0.000 0.234 27 D C 0.886 177.194 176.300 0.013 0.000 1.154 27 D CA 0.742 54.761 54.000 0.032 0.000 0.874 27 D CB -0.043 40.777 40.800 0.033 0.000 1.198 27 D HN 0.478 nan 8.370 nan 0.000 0.455 28 E N -1.834 118.371 120.200 0.007 0.000 3.673 28 E HA -0.259 4.091 4.350 -0.000 0.000 0.309 28 E C -0.153 176.422 176.600 -0.042 0.000 0.819 28 E CA 0.683 57.073 56.400 -0.017 0.000 1.111 28 E CB -1.354 28.333 29.700 -0.022 0.000 1.561 28 E HN 0.561 nan 8.360 nan 0.000 0.450 29 A N 1.107 123.909 122.820 -0.030 0.000 2.483 29 A HA 0.254 4.574 4.320 -0.000 0.000 0.238 29 A C 0.563 178.103 177.584 -0.073 0.000 1.070 29 A CA 0.636 52.645 52.037 -0.046 0.000 0.770 29 A CB 0.369 19.353 19.000 -0.026 0.000 1.008 29 A HN 0.105 nan 8.150 nan 0.000 0.497 30 T N 2.907 117.403 114.554 -0.096 0.000 2.727 30 T HA 0.402 4.752 4.350 -0.000 0.000 0.298 30 T C -0.334 174.306 174.700 -0.101 0.000 0.942 30 T CA 0.030 62.064 62.100 -0.110 0.000 0.997 30 T CB 0.119 68.896 68.868 -0.152 0.000 0.917 30 T HN 0.505 nan 8.240 nan 0.000 0.487 31 L N 4.526 125.681 121.223 -0.113 0.000 2.282 31 L HA 0.604 4.944 4.340 -0.000 0.000 0.288 31 L C -0.492 176.279 176.870 -0.165 0.000 1.033 31 L CA -0.624 54.096 54.840 -0.200 0.000 0.807 31 L CB 0.785 42.668 42.059 -0.293 0.000 1.209 31 L HN 0.755 nan 8.230 nan 0.000 0.423 32 C N 5.820 125.022 119.300 -0.164 0.000 2.303 32 C HA 0.769 5.229 4.460 -0.000 0.000 0.326 32 C C -0.396 174.538 174.990 -0.093 0.000 1.285 32 C CA -0.512 58.452 59.018 -0.090 0.000 1.675 32 C CB 0.461 28.180 27.740 -0.034 0.000 2.289 32 C HN 0.647 nan 8.230 nan 0.000 0.512 33 V N 7.698 127.586 119.914 -0.044 0.000 2.357 33 V HA 0.350 4.470 4.120 -0.000 0.000 0.284 33 V C 0.048 176.185 176.094 0.072 0.000 1.018 33 V CA -0.521 61.799 62.300 0.034 0.000 0.841 33 V CB 1.223 33.076 31.823 0.049 0.000 0.991 33 V HN 0.824 nan 8.190 nan 0.000 0.437 34 L N 4.890 126.181 121.223 0.114 0.000 2.417 34 L HA 0.868 5.208 4.340 -0.000 0.000 0.268 34 L C 0.491 177.421 176.870 0.100 0.000 1.158 34 L CA 1.384 56.288 54.840 0.107 0.000 0.819 34 L CB 0.919 43.056 42.059 0.130 0.000 1.112 34 L HN 0.962 nan 8.230 nan 0.000 0.458 35 G N 2.322 111.173 108.800 0.085 0.000 2.321 35 G HA2 0.547 4.507 3.960 -0.000 0.000 0.339 35 G HA3 0.547 4.507 3.960 -0.000 0.000 0.339 35 G C -1.686 173.247 174.900 0.054 0.000 1.518 35 G CA -0.279 44.860 45.100 0.064 0.000 0.994 35 G HN 1.085 nan 8.290 nan 0.000 0.668 36 A N -0.591 122.246 122.820 0.029 0.000 2.578 36 A HA 1.037 5.357 4.320 -0.000 0.000 0.255 36 A C 0.888 178.471 177.584 -0.002 0.000 1.251 36 A CA 0.279 52.337 52.037 0.034 0.000 0.882 36 A CB 0.749 19.768 19.000 0.031 0.000 1.416 36 A HN 2.407 nan 8.150 nan 0.000 0.462 37 G N -1.689 107.121 108.800 0.017 0.000 2.544 37 G HA2 0.503 4.463 3.960 -0.000 0.000 0.242 37 G HA3 0.503 4.463 3.960 -0.000 0.000 0.242 37 G C 1.093 175.925 174.900 -0.113 0.000 1.247 37 G CA 0.599 45.701 45.100 0.005 0.000 0.840 37 G HN 2.314 nan 8.290 nan 0.000 0.578 38 G N -0.646 108.047 108.800 -0.179 0.000 2.198 38 G HA2 0.201 4.161 3.960 -0.000 0.000 0.260 38 G HA3 0.201 4.161 3.960 -0.000 0.000 0.260 38 G C 1.378 175.754 174.900 -0.874 0.000 1.025 38 G CA 1.058 45.949 45.100 -0.349 0.000 0.769 38 G HN 2.602 nan 8.290 nan 0.000 0.507 39 G N -1.405 106.660 108.800 -1.225 0.000 2.175 39 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 39 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 39 G C 0.491 175.195 174.900 -0.326 0.000 0.982 39 G CA 0.154 44.671 45.100 -0.972 0.000 0.641 39 G HN 1.368 nan 8.290 nan 0.000 0.527 40 I N 1.561 121.995 120.570 -0.227 0.000 2.662 40 I HA 0.147 4.317 4.170 -0.000 0.000 0.285 40 I C 1.814 177.911 176.117 -0.032 0.000 1.161 40 I CA 0.328 61.575 61.300 -0.090 0.000 1.415 40 I CB 0.386 38.353 38.000 -0.055 0.000 1.385 40 I HN 0.275 nan 8.210 nan 0.000 0.552 41 L N 4.554 125.780 121.223 0.006 0.000 3.839 41 L HA -0.241 4.099 4.340 -0.000 0.000 0.416 41 L C 0.620 177.520 176.870 0.051 0.000 1.195 41 L CA 0.562 55.435 54.840 0.055 0.000 0.946 41 L CB -1.028 41.103 42.059 0.121 0.000 1.891 41 L HN 0.724 nan 8.230 nan 0.000 0.963 42 E N 0.598 120.812 120.200 0.024 0.000 2.174 42 E HA 0.476 4.826 4.350 -0.000 0.000 0.282 42 E C 0.484 177.116 176.600 0.053 0.000 0.992 42 E CA 0.183 56.615 56.400 0.053 0.000 0.803 42 E CB 1.313 31.043 29.700 0.049 0.000 1.090 42 E HN 0.280 nan 8.360 nan 0.000 0.396 43 A N 4.446 127.301 122.820 0.059 0.000 3.063 43 A HA 0.098 4.418 4.320 -0.000 0.000 0.263 43 A C 1.079 178.648 177.584 -0.026 0.000 1.736 43 A CA -0.204 51.832 52.037 -0.003 0.000 1.408 43 A CB -0.456 18.525 19.000 -0.031 0.000 1.108 43 A HN 0.784 nan 8.150 nan 0.000 0.621 44 T N 0.540 115.107 114.554 0.022 0.000 2.759 44 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 44 T C 2.307 176.995 174.700 -0.020 0.000 1.042 44 T CA 2.365 64.491 62.100 0.044 0.000 1.140 44 T CB -0.342 68.585 68.868 0.098 0.000 0.864 44 T HN 0.891 nan 8.240 nan 0.000 0.455 45 T N 0.880 115.401 114.554 -0.054 0.000 2.915 45 T HA 0.060 4.410 4.350 -0.000 0.000 0.269 45 T C 1.991 176.605 174.700 -0.143 0.000 1.071 45 T CA 0.706 62.761 62.100 -0.075 0.000 1.132 45 T CB -0.592 68.236 68.868 -0.067 0.000 0.878 45 T HN 0.298 nan 8.240 nan 0.000 0.479 46 L N -0.075 120.983 121.223 -0.275 0.000 2.072 46 L HA 0.153 4.493 4.340 -0.000 0.000 0.205 46 L C 2.768 179.391 176.870 -0.411 0.000 1.079 46 L CA 0.982 55.483 54.840 -0.565 0.000 0.752 46 L CB -0.466 40.864 42.059 -1.214 0.000 0.906 46 L HN 0.219 nan 8.230 nan 0.000 0.436 47 I N -0.416 120.048 120.570 -0.176 0.000 2.127 47 I HA -0.310 3.860 4.170 -0.000 0.000 0.241 47 I C 2.532 178.687 176.117 0.063 0.000 1.075 47 I CA 1.677 63.035 61.300 0.097 0.000 1.334 47 I CB -0.618 37.464 38.000 0.136 0.000 1.040 47 I HN 0.261 nan 8.210 nan 0.000 0.405 48 T N 0.851 115.414 114.554 0.015 0.000 2.665 48 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 48 T C 2.047 176.762 174.700 0.024 0.000 1.035 48 T CA 1.684 63.794 62.100 0.018 0.000 1.151 48 T CB -0.443 68.425 68.868 -0.001 0.000 0.862 48 T HN 0.508 nan 8.240 nan 0.000 0.438 49 A N 1.033 123.852 122.820 -0.002 0.000 1.933 49 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 49 A C 2.253 179.875 177.584 0.063 0.000 1.175 49 A CA 1.337 53.382 52.037 0.014 0.000 0.628 49 A CB -0.757 18.232 19.000 -0.018 0.000 0.814 49 A HN 0.404 nan 8.150 nan 0.000 0.444 50 L N -0.308 120.974 121.223 0.098 0.000 2.027 50 L HA 0.004 4.344 4.340 -0.000 0.000 0.206 50 L C 2.659 179.624 176.870 0.157 0.000 1.074 50 L CA 2.165 57.105 54.840 0.167 0.000 0.745 50 L CB -0.882 41.341 42.059 0.275 0.000 0.898 50 L HN 0.325 nan 8.230 nan 0.000 0.433 51 A N -1.074 121.824 122.820 0.130 0.000 1.902 51 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 51 A C 2.163 179.829 177.584 0.138 0.000 1.181 51 A CA 1.963 54.075 52.037 0.126 0.000 0.623 51 A CB -0.862 18.191 19.000 0.089 0.000 0.818 51 A HN 0.576 nan 8.150 nan 0.000 0.443 52 D N -0.728 119.730 120.400 0.096 0.000 2.117 52 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 52 D C 1.994 178.339 176.300 0.075 0.000 0.982 52 D CA 1.505 55.549 54.000 0.073 0.000 0.828 52 D CB -0.091 40.735 40.800 0.045 0.000 0.967 52 D HN 0.564 nan 8.370 nan 0.000 0.464 53 K N -0.150 120.303 120.400 0.088 0.000 2.063 53 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 53 K C 2.251 178.902 176.600 0.085 0.000 1.048 53 K CA 1.156 57.489 56.287 0.078 0.000 0.928 53 K CB -0.319 32.235 32.500 0.091 0.000 0.713 53 K HN 0.134 nan 8.250 nan 0.000 0.442 54 Y N 1.338 121.660 120.300 0.035 0.000 2.200 54 Y HA -0.187 4.363 4.550 -0.000 0.000 0.290 54 Y C 2.300 178.215 175.900 0.025 0.000 1.137 54 Y CA 1.899 60.019 58.100 0.032 0.000 1.163 54 Y CB 0.036 38.520 38.460 0.040 0.000 0.988 54 Y HN 0.011 nan 8.280 nan 0.000 0.518 55 K N -0.089 120.376 120.400 0.109 0.000 2.063 55 K HA -0.259 4.061 4.320 -0.000 0.000 0.208 55 K C 2.004 178.572 176.600 -0.053 0.000 1.048 55 K CA 2.084 58.393 56.287 0.035 0.000 0.928 55 K CB -0.106 32.435 32.500 0.068 0.000 0.713 55 K HN 0.491 nan 8.250 nan 0.000 0.442 56 Q N -1.187 118.586 119.800 -0.044 0.000 2.163 56 Q HA -0.059 4.281 4.340 -0.000 0.000 0.198 56 Q C 1.582 177.528 176.000 -0.090 0.000 0.954 56 Q CA 1.656 57.428 55.803 -0.051 0.000 0.851 56 Q CB 0.507 29.231 28.738 -0.022 0.000 0.928 56 Q HN 0.453 nan 8.270 nan 0.000 0.459 57 T N -3.813 110.663 114.554 -0.130 0.000 3.004 57 T HA 0.065 4.415 4.350 -0.000 0.000 0.266 57 T C 0.321 174.880 174.700 -0.235 0.000 0.986 57 T CA -0.290 61.728 62.100 -0.136 0.000 0.902 57 T CB 0.589 69.413 68.868 -0.073 0.000 1.118 57 T HN 0.025 nan 8.240 nan 0.000 0.522 58 Q N 1.743 121.243 119.800 -0.499 0.000 2.461 58 Q HA -0.155 4.185 4.340 -0.000 0.000 0.273 58 Q C 0.002 175.771 176.000 -0.385 0.000 1.163 58 Q CA 1.624 56.917 55.803 -0.850 0.000 0.929 58 Q CB -2.890 25.576 28.738 -0.454 0.000 1.334 58 Q HN 0.967 nan 8.270 nan 0.000 0.499 59 T N -3.433 111.035 114.554 -0.144 0.000 2.896 59 T HA 0.763 5.113 4.350 -0.000 0.000 0.297 59 T C -2.833 172.016 174.700 0.247 0.000 1.108 59 T CA -1.882 60.288 62.100 0.118 0.000 1.004 59 T CB 3.496 72.389 68.868 0.043 0.000 1.159 59 T HN -0.182 nan 8.240 nan 0.000 0.499 60 P HA 0.446 nan 4.420 nan 0.000 0.276 60 P C -0.809 176.627 177.300 0.227 0.000 1.261 60 P CA -0.687 62.516 63.100 0.171 0.000 0.800 60 P CB 0.807 32.573 31.700 0.110 0.000 1.066 61 R N 0.266 120.858 120.500 0.152 0.000 2.778 61 R HA 0.363 4.703 4.340 -0.000 0.000 0.277 61 R C -0.021 176.320 176.300 0.069 0.000 0.977 61 R CA -0.753 55.436 56.100 0.149 0.000 0.950 61 R CB 0.510 30.895 30.300 0.142 0.000 1.165 61 R HN 0.421 nan 8.270 nan 0.000 0.474 62 N N 0.948 119.676 118.700 0.047 0.000 2.725 62 N HA -0.186 4.554 4.740 -0.000 0.000 0.251 62 N C -0.928 174.598 175.510 0.027 0.000 1.031 62 N CA 0.591 53.664 53.050 0.039 0.000 0.720 62 N CB -0.908 37.608 38.487 0.047 0.000 0.930 62 N HN 0.276 nan 8.380 nan 0.000 0.543 63 L N 0.228 121.457 121.223 0.011 0.000 2.452 63 L HA 0.196 4.536 4.340 -0.000 0.000 0.267 63 L C 0.959 177.860 176.870 0.052 0.000 1.188 63 L CA 0.463 55.306 54.840 0.005 0.000 0.821 63 L CB 0.826 42.873 42.059 -0.019 0.000 1.102 63 L HN 0.091 nan 8.230 nan 0.000 0.470 64 S N 2.864 118.586 115.700 0.038 0.000 2.451 64 S HA 0.644 5.113 4.470 -0.000 0.000 0.301 64 S C -0.455 174.233 174.600 0.147 0.000 1.116 64 S CA -0.514 57.779 58.200 0.156 0.000 1.093 64 S CB 1.139 64.277 63.200 -0.104 0.000 1.017 64 S HN 0.228 nan 8.310 nan 0.000 0.482 65 I N 3.479 124.199 120.570 0.250 0.000 2.441 65 I HA 0.493 4.663 4.170 -0.000 0.000 0.295 65 I C -0.299 175.910 176.117 0.154 0.000 0.994 65 I CA -0.731 60.630 61.300 0.102 0.000 1.144 65 I CB 1.349 39.349 38.000 -0.001 0.000 1.314 65 I HN 0.561 nan 8.210 nan 0.000 0.445 66 I N 3.876 124.482 120.570 0.060 0.000 2.418 66 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 66 I C -0.024 176.074 176.117 -0.032 0.000 1.008 66 I CA -0.340 60.985 61.300 0.042 0.000 1.104 66 I CB 1.982 40.020 38.000 0.063 0.000 1.264 66 I HN 0.463 nan 8.210 nan 0.000 0.438 67 S N 7.534 123.188 115.700 -0.076 0.000 2.542 67 S HA 0.414 4.884 4.470 -0.000 0.000 0.245 67 S C -1.927 172.646 174.600 -0.046 0.000 1.325 67 S CA -1.469 56.684 58.200 -0.078 0.000 1.176 67 S CB 0.961 64.069 63.200 -0.152 0.000 1.045 67 S HN 0.301 nan 8.310 nan 0.000 0.481 68 P HA -0.039 nan 4.420 nan 0.000 0.214 68 P C 0.261 177.595 177.300 0.056 0.000 1.163 68 P CA 1.253 64.369 63.100 0.026 0.000 0.889 68 P CB 0.111 31.835 31.700 0.040 0.000 0.790 69 T N -1.456 113.141 114.554 0.071 0.000 2.948 69 T HA 0.573 4.923 4.350 -0.000 0.000 0.285 69 T C 0.375 175.135 174.700 0.101 0.000 1.019 69 T CA -0.645 61.523 62.100 0.112 0.000 1.013 69 T CB 1.396 70.333 68.868 0.115 0.000 1.117 69 T HN -0.099 nan 8.240 nan 0.000 0.533 70 G N 0.940 109.847 108.800 0.179 0.000 2.355 70 G HA2 0.522 4.482 3.960 -0.000 0.000 0.276 70 G HA3 0.522 4.482 3.960 -0.000 0.000 0.276 70 G C -0.754 174.220 174.900 0.124 0.000 1.198 70 G CA -0.347 44.857 45.100 0.172 0.000 0.876 70 G HN 0.448 nan 8.290 nan 0.000 0.478 71 L N 1.951 123.214 121.223 0.067 0.000 2.343 71 L HA 0.823 5.163 4.340 -0.000 0.000 0.275 71 L C 0.946 177.881 176.870 0.109 0.000 1.056 71 L CA 1.100 55.986 54.840 0.076 0.000 0.804 71 L CB 1.509 43.613 42.059 0.075 0.000 1.203 71 L HN 1.070 nan 8.230 nan 0.000 0.440 72 G N 1.567 110.462 108.800 0.158 0.000 2.409 72 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.421 72 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.421 72 G C -0.863 174.215 174.900 0.295 0.000 1.259 72 G CA -0.057 45.210 45.100 0.277 0.000 1.011 72 G HN 0.757 nan 8.290 nan 0.000 0.497 73 D N -0.880 119.684 120.400 0.272 0.000 2.623 73 D HA 0.278 4.918 4.640 -0.000 0.000 0.252 73 D C 0.935 177.314 176.300 0.131 0.000 1.294 73 D CA -0.262 53.870 54.000 0.220 0.000 0.824 73 D CB -0.120 40.808 40.800 0.213 0.000 1.070 73 D HN 0.902 nan 8.370 nan 0.000 0.487 74 R N -0.956 119.614 120.500 0.116 0.000 3.770 74 R HA -0.152 4.188 4.340 -0.000 0.000 0.305 74 R C 0.296 176.635 176.300 0.064 0.000 1.184 74 R CA 0.907 57.058 56.100 0.085 0.000 0.823 74 R CB -2.018 28.337 30.300 0.091 0.000 1.285 74 R HN 0.485 nan 8.270 nan 0.000 0.499 75 A N -0.700 122.155 122.820 0.059 0.000 2.588 75 A HA 0.289 4.609 4.320 -0.000 0.000 0.172 75 A C -0.224 177.378 177.584 0.030 0.000 1.149 75 A CA -0.234 51.827 52.037 0.039 0.000 1.987 75 A CB 0.300 19.318 19.000 0.031 0.000 2.500 75 A HN 0.067 nan 8.150 nan 0.000 0.982 76 D N 0.563 120.971 120.400 0.012 0.000 2.369 76 D HA 0.203 4.843 4.640 -0.000 0.000 0.211 76 D C 0.784 177.079 176.300 -0.009 0.000 1.077 76 D CA 0.153 54.155 54.000 0.003 0.000 0.842 76 D CB 0.442 41.238 40.800 -0.007 0.000 0.947 76 D HN 0.281 nan 8.370 nan 0.000 0.509 77 R N 0.058 120.552 120.500 -0.011 0.000 2.523 77 R HA 0.506 4.846 4.340 -0.000 0.000 0.223 77 R C 1.184 177.537 176.300 0.088 0.000 1.280 77 R CA -0.113 55.972 56.100 -0.026 0.000 1.047 77 R CB 0.017 30.189 30.300 -0.213 0.000 1.650 77 R HN 0.021 nan 8.270 nan 0.000 0.545 78 G N 0.970 109.890 108.800 0.200 0.000 2.556 78 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.283 78 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.283 78 G C 0.628 175.595 174.900 0.112 0.000 1.177 78 G CA 0.492 45.704 45.100 0.187 0.000 0.978 78 G HN 0.715 nan 8.290 nan 0.000 0.554 79 I N -1.804 118.805 120.570 0.065 0.000 3.875 79 I HA 0.400 4.570 4.170 -0.000 0.000 0.329 79 I C 2.135 178.265 176.117 0.022 0.000 1.295 79 I CA 1.102 62.427 61.300 0.041 0.000 1.129 79 I CB 0.441 38.444 38.000 0.005 0.000 1.008 79 I HN 0.246 nan 8.210 nan 0.000 0.413 80 S N 2.561 118.277 115.700 0.026 0.000 2.392 80 S HA -0.097 4.373 4.470 -0.000 0.000 0.232 80 S C -0.411 174.202 174.600 0.022 0.000 1.041 80 S CA 1.945 60.158 58.200 0.022 0.000 1.026 80 S CB -1.224 61.991 63.200 0.025 0.000 0.845 80 S HN 0.452 nan 8.310 nan 0.000 0.465 81 P HA -0.023 nan 4.420 nan 0.000 0.221 81 P C 0.875 178.194 177.300 0.031 0.000 1.145 81 P CA 0.848 63.968 63.100 0.034 0.000 0.795 81 P CB -0.125 31.599 31.700 0.041 0.000 0.775 82 L N -1.832 119.402 121.223 0.020 0.000 2.599 82 L HA 0.135 4.475 4.340 -0.000 0.000 0.230 82 L C 1.596 178.437 176.870 -0.048 0.000 1.141 82 L CA 0.086 54.919 54.840 -0.012 0.000 0.877 82 L CB -0.609 41.448 42.059 -0.004 0.000 1.009 82 L HN -0.102 nan 8.230 nan 0.000 0.447 83 A N 0.139 122.948 122.820 -0.018 0.000 2.543 83 A HA 0.133 4.453 4.320 -0.000 0.000 0.258 83 A C 0.460 178.037 177.584 -0.013 0.000 1.391 83 A CA -0.186 51.843 52.037 -0.013 0.000 1.066 83 A CB -0.586 18.421 19.000 0.012 0.000 0.972 83 A HN 0.380 nan 8.150 nan 0.000 0.560 84 Q N 0.774 120.545 119.800 -0.047 0.000 2.267 84 Q HA 0.219 4.559 4.340 -0.000 0.000 0.255 84 Q C -0.422 175.551 176.000 -0.043 0.000 0.923 84 Q CA -0.334 55.468 55.803 -0.002 0.000 0.925 84 Q CB 1.142 29.930 28.738 0.085 0.000 1.195 84 Q HN 0.514 nan 8.270 nan 0.000 0.417 85 E N 0.605 120.834 120.200 0.048 0.000 2.480 85 E HA -0.016 4.334 4.350 -0.000 0.000 0.258 85 E C 0.646 177.295 176.600 0.080 0.000 0.984 85 E CA 1.001 57.432 56.400 0.051 0.000 0.930 85 E CB 0.283 30.026 29.700 0.073 0.000 0.936 85 E HN 0.949 nan 8.360 nan 0.000 0.466 86 G N 2.793 111.610 108.800 0.028 0.000 2.234 86 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.235 86 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.235 86 G C 0.644 175.500 174.900 -0.074 0.000 0.997 86 G CA 0.303 45.445 45.100 0.071 0.000 0.623 86 G HN 0.510 nan 8.290 nan 0.000 0.514 87 L N 0.862 121.816 121.223 -0.447 0.000 2.095 87 L HA 0.504 4.844 4.340 -0.000 0.000 0.204 87 L C 1.176 177.915 176.870 -0.217 0.000 1.080 87 L CA 1.542 56.011 54.840 -0.618 0.000 0.759 87 L CB 0.046 41.525 42.059 -0.967 0.000 0.914 87 L HN 0.241 nan 8.230 nan 0.000 0.439 88 V N 0.510 120.344 119.914 -0.132 0.000 2.495 88 V HA 0.264 4.384 4.120 -0.000 0.000 0.298 88 V C 0.581 176.700 176.094 0.042 0.000 1.031 88 V CA -0.267 62.022 62.300 -0.020 0.000 0.871 88 V CB 1.491 33.309 31.823 -0.009 0.000 0.988 88 V HN 0.465 nan 8.190 nan 0.000 0.432 89 K N 2.292 122.758 120.400 0.108 0.000 2.380 89 K HA 0.227 4.547 4.320 -0.000 0.000 0.198 89 K C -0.138 176.620 176.600 0.263 0.000 1.070 89 K CA -0.288 56.089 56.287 0.151 0.000 1.040 89 K CB 0.954 33.535 32.500 0.135 0.000 0.903 89 K HN 0.529 nan 8.250 nan 0.000 0.549 90 W N 0.346 121.677 121.300 0.052 0.000 3.573 90 W HA 0.556 5.216 4.660 -0.000 0.000 0.306 90 W C -2.261 174.319 176.519 0.101 0.000 1.227 90 W CA -0.348 57.054 57.345 0.095 0.000 1.212 90 W CB 2.003 31.517 29.460 0.091 0.000 1.331 90 W HN 0.032 nan 8.180 nan 0.000 0.524 91 A N 4.923 127.689 122.820 -0.089 0.000 2.520 91 A HA 0.740 5.060 4.320 -0.000 0.000 0.298 91 A C -2.588 174.808 177.584 -0.313 0.000 1.051 91 A CA -0.706 51.284 52.037 -0.077 0.000 0.690 91 A CB 1.697 20.670 19.000 -0.045 0.000 1.281 91 A HN 1.000 nan 8.150 nan 0.000 0.402 92 L N 2.281 123.368 121.223 -0.226 0.000 2.372 92 L HA 0.769 5.109 4.340 -0.000 0.000 0.273 92 L C -1.153 175.659 176.870 -0.098 0.000 0.989 92 L CA -0.129 54.631 54.840 -0.133 0.000 0.841 92 L CB 0.873 42.808 42.059 -0.207 0.000 1.225 92 L HN 0.717 nan 8.230 nan 0.000 0.414 93 C N 2.620 121.888 119.300 -0.054 0.000 2.634 93 C HA 0.692 5.152 4.460 -0.000 0.000 0.313 93 C C 1.513 176.545 174.990 0.069 0.000 1.198 93 C CA -0.195 58.667 59.018 -0.259 0.000 1.605 93 C CB 1.531 28.654 27.740 -1.028 0.000 2.196 93 C HN 0.976 nan 8.230 nan 0.000 0.486 94 G N -0.659 108.182 108.800 0.068 0.000 2.453 94 G HA2 0.030 3.990 3.960 -0.000 0.000 0.215 94 G HA3 0.030 3.990 3.960 -0.000 0.000 0.215 94 G C 0.459 175.563 174.900 0.340 0.000 1.147 94 G CA 0.652 45.873 45.100 0.201 0.000 0.802 94 G HN 0.840 nan 8.290 nan 0.000 0.535 95 H N -1.969 117.180 119.070 0.132 0.000 3.018 95 H HA 0.200 4.756 4.556 -0.000 0.000 0.334 95 H C -0.527 174.878 175.328 0.129 0.000 0.983 95 H CA -0.945 55.221 56.048 0.196 0.000 1.363 95 H CB 1.102 30.960 29.762 0.159 0.000 1.668 95 H HN 0.136 nan 8.280 nan 0.000 0.513 96 W N 2.606 123.791 121.300 -0.191 0.000 2.812 96 W HA 0.175 4.835 4.660 -0.000 0.000 0.263 96 W C 2.248 178.608 176.519 -0.264 0.000 1.284 96 W CA 0.823 58.069 57.345 -0.166 0.000 1.430 96 W CB 0.333 29.756 29.460 -0.063 0.000 1.088 96 W HN 0.764 nan 8.180 nan 0.000 0.623 97 G N -0.490 108.141 108.800 -0.282 0.000 2.534 97 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 97 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 97 G C 1.327 176.150 174.900 -0.127 0.000 1.128 97 G CA 0.666 45.664 45.100 -0.170 0.000 0.784 97 G HN 0.184 nan 8.290 nan 0.000 0.542 98 Q N 0.353 120.026 119.800 -0.211 0.000 2.230 98 Q HA 0.123 4.463 4.340 -0.000 0.000 0.202 98 Q C 0.911 176.928 176.000 0.028 0.000 0.963 98 Q CA 0.595 56.402 55.803 0.007 0.000 0.866 98 Q CB 0.162 28.968 28.738 0.113 0.000 0.931 98 Q HN 0.270 nan 8.270 nan 0.000 0.452 99 S N 1.415 117.108 115.700 -0.012 0.000 2.150 99 S HA 0.242 4.712 4.470 -0.000 0.000 0.171 99 S C -2.218 172.395 174.600 0.021 0.000 1.620 99 S CA -1.046 57.158 58.200 0.007 0.000 1.190 99 S CB 1.180 64.368 63.200 -0.020 0.000 1.102 99 S HN 0.275 nan 8.310 nan 0.000 0.464 100 P HA -0.020 nan 4.420 nan 0.000 0.230 100 P C 1.143 178.477 177.300 0.057 0.000 1.158 100 P CA 0.477 63.609 63.100 0.054 0.000 0.769 100 P CB 0.374 32.100 31.700 0.042 0.000 0.807 101 R N -0.228 120.298 120.500 0.044 0.000 2.115 101 R HA 0.067 4.407 4.340 -0.000 0.000 0.230 101 R C 2.352 178.685 176.300 0.055 0.000 1.111 101 R CA 0.927 57.051 56.100 0.040 0.000 0.976 101 R CB -1.203 29.114 30.300 0.029 0.000 0.870 101 R HN 0.185 nan 8.270 nan 0.000 0.445 102 I N -0.493 120.114 120.570 0.061 0.000 2.406 102 I HA -0.198 3.972 4.170 -0.000 0.000 0.249 102 I C 1.818 178.074 176.117 0.232 0.000 1.122 102 I CA 1.012 62.367 61.300 0.091 0.000 1.431 102 I CB -0.025 37.972 38.000 -0.005 0.000 1.087 102 I HN 0.073 nan 8.210 nan 0.000 0.424 103 S N 0.427 116.288 115.700 0.268 0.000 2.383 103 S HA -0.208 4.262 4.470 -0.000 0.000 0.229 103 S C 1.581 176.250 174.600 0.114 0.000 1.030 103 S CA 1.432 59.813 58.200 0.302 0.000 1.002 103 S CB -0.351 62.988 63.200 0.231 0.000 0.829 103 S HN 0.437 nan 8.310 nan 0.000 0.467 104 D N 1.560 122.007 120.400 0.079 0.000 2.123 104 D HA -0.056 4.584 4.640 -0.000 0.000 0.196 104 D C 1.873 178.190 176.300 0.028 0.000 0.992 104 D CA 0.774 54.794 54.000 0.034 0.000 0.833 104 D CB -0.399 40.418 40.800 0.029 0.000 0.954 104 D HN 0.323 nan 8.370 nan 0.000 0.455 105 L N 0.562 121.818 121.223 0.054 0.000 2.046 105 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 105 L C 2.538 179.423 176.870 0.025 0.000 1.077 105 L CA 1.146 56.012 54.840 0.044 0.000 0.747 105 L CB -0.433 41.663 42.059 0.062 0.000 0.896 105 L HN -0.013 nan 8.230 nan 0.000 0.432 106 A N 0.076 122.918 122.820 0.036 0.000 1.877 106 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 106 A C 2.133 179.647 177.584 -0.116 0.000 1.186 106 A CA 1.711 53.704 52.037 -0.072 0.000 0.620 106 A CB -0.495 18.377 19.000 -0.213 0.000 0.822 106 A HN 0.428 nan 8.150 nan 0.000 0.443 107 E N -0.403 119.740 120.200 -0.095 0.000 2.160 107 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 107 E C 1.773 178.331 176.600 -0.071 0.000 0.991 107 E CA 1.426 57.769 56.400 -0.095 0.000 0.810 107 E CB -0.123 29.533 29.700 -0.073 0.000 0.742 107 E HN 0.743 nan 8.360 nan 0.000 0.466 108 Q N -0.122 119.649 119.800 -0.047 0.000 2.280 108 Q HA 0.111 4.451 4.340 -0.000 0.000 0.201 108 Q C -0.308 175.673 176.000 -0.032 0.000 0.890 108 Q CA -0.215 55.568 55.803 -0.034 0.000 0.947 108 Q CB 0.554 29.282 28.738 -0.017 0.000 1.081 108 Q HN 0.181 nan 8.270 nan 0.000 0.502 109 N N 0.695 119.368 118.700 -0.046 0.000 2.747 109 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 109 N C -0.008 175.491 175.510 -0.019 0.000 1.107 109 N CA 0.893 53.917 53.050 -0.043 0.000 0.707 109 N CB -0.595 37.868 38.487 -0.041 0.000 1.054 109 N HN 0.403 nan 8.380 nan 0.000 0.555 110 K N -0.045 120.351 120.400 -0.007 0.000 2.352 110 K HA 0.198 4.518 4.320 -0.000 0.000 0.194 110 K C 1.186 177.802 176.600 0.026 0.000 1.038 110 K CA 0.611 56.906 56.287 0.013 0.000 1.023 110 K CB 0.578 33.089 32.500 0.018 0.000 0.840 110 K HN 0.493 nan 8.250 nan 0.000 0.519 111 I N -2.151 118.431 120.570 0.021 0.000 2.969 111 I HA 0.394 4.564 4.170 -0.000 0.000 0.307 111 I C -0.577 175.532 176.117 -0.013 0.000 1.149 111 I CA -1.360 59.965 61.300 0.041 0.000 1.008 111 I CB 1.497 39.543 38.000 0.078 0.000 1.232 111 I HN -0.333 nan 8.210 nan 0.000 0.435 112 I N 3.149 123.715 120.570 -0.006 0.000 2.588 112 I HA 0.468 4.638 4.170 -0.000 0.000 0.283 112 I C 0.504 176.430 176.117 -0.318 0.000 1.119 112 I CA 0.142 61.349 61.300 -0.156 0.000 1.419 112 I CB 0.789 38.773 38.000 -0.028 0.000 1.394 112 I HN 0.839 nan 8.210 nan 0.000 0.562 113 A N 7.283 129.814 122.820 -0.483 0.000 2.442 113 A HA 0.689 5.009 4.320 -0.000 0.000 0.284 113 A C -1.498 175.766 177.584 -0.534 0.000 1.058 113 A CA -0.470 51.342 52.037 -0.374 0.000 0.738 113 A CB 0.748 19.494 19.000 -0.423 0.000 1.242 113 A HN 0.542 nan 8.150 nan 0.000 0.421 114 Y N 0.661 120.878 120.300 -0.138 0.000 2.509 114 Y HA 0.572 5.122 4.550 -0.000 0.000 0.341 114 Y C 0.474 176.502 175.900 0.213 0.000 1.038 114 Y CA -0.625 57.450 58.100 -0.041 0.000 1.089 114 Y CB 2.361 40.727 38.460 -0.158 0.000 1.241 114 Y HN 0.744 nan 8.280 nan 0.000 0.468 115 N N 1.442 120.405 118.700 0.437 0.000 2.576 115 N HA 0.257 4.997 4.740 -0.000 0.000 0.269 115 N C -1.766 174.029 175.510 0.475 0.000 1.058 115 N CA -0.438 52.923 53.050 0.519 0.000 0.860 115 N CB 0.549 39.356 38.487 0.533 0.000 1.249 115 N HN 0.426 nan 8.380 nan 0.000 0.525 116 Y N 2.175 122.607 120.300 0.221 0.000 2.301 116 Y HA 0.331 4.881 4.550 -0.000 0.000 0.328 116 Y C -1.843 174.098 175.900 0.069 0.000 1.242 116 Y CA -2.430 55.737 58.100 0.112 0.000 1.323 116 Y CB 0.175 38.647 38.460 0.021 0.000 1.266 116 Y HN 0.471 nan 8.280 nan 0.000 0.527 117 P HA -0.053 nan 4.420 nan 0.000 0.264 117 P C 0.698 177.989 177.300 -0.016 0.000 1.183 117 P CA 0.329 63.471 63.100 0.071 0.000 0.763 117 P CB 0.494 32.182 31.700 -0.020 0.000 0.807 118 Q N 2.951 122.736 119.800 -0.025 0.000 2.112 118 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 118 Q C 2.009 177.686 176.000 -0.539 0.000 0.987 118 Q CA 2.441 58.154 55.803 -0.150 0.000 0.858 118 Q CB -0.813 27.909 28.738 -0.027 0.000 0.905 118 Q HN 0.675 nan 8.270 nan 0.000 0.420 119 G N -0.252 107.911 108.800 -1.061 0.000 2.404 119 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.215 119 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.215 119 G C 1.419 176.049 174.900 -0.451 0.000 1.174 119 G CA 0.867 45.102 45.100 -1.441 0.000 0.780 119 G HN 0.302 nan 8.290 nan 0.000 0.537 120 V N 0.813 120.578 119.914 -0.249 0.000 2.343 120 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 120 V C 2.728 178.699 176.094 -0.205 0.000 1.051 120 V CA 1.469 63.595 62.300 -0.291 0.000 1.036 120 V CB -0.433 30.952 31.823 -0.730 0.000 0.654 120 V HN 0.365 nan 8.190 nan 0.000 0.451 121 L N -0.222 120.950 121.223 -0.084 0.000 2.012 121 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 121 L C 2.718 179.593 176.870 0.009 0.000 1.073 121 L CA 2.491 57.378 54.840 0.078 0.000 0.748 121 L CB -0.462 41.639 42.059 0.070 0.000 0.891 121 L HN 0.450 nan 8.230 nan 0.000 0.431 122 T N -1.341 113.181 114.554 -0.052 0.000 2.788 122 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 122 T C 1.752 176.443 174.700 -0.014 0.000 1.044 122 T CA 1.577 63.666 62.100 -0.018 0.000 1.139 122 T CB -0.017 68.855 68.868 0.007 0.000 0.867 122 T HN 0.449 nan 8.240 nan 0.000 0.454 123 Q N 0.186 119.959 119.800 -0.044 0.000 2.124 123 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 123 Q C 2.659 178.650 176.000 -0.015 0.000 0.977 123 Q CA 1.998 57.783 55.803 -0.030 0.000 0.850 123 Q CB -0.311 28.403 28.738 -0.040 0.000 0.901 123 Q HN 0.749 nan 8.270 nan 0.000 0.429 124 T N -1.037 113.511 114.554 -0.010 0.000 2.867 124 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 124 T C 1.834 176.560 174.700 0.043 0.000 1.057 124 T CA 0.661 62.778 62.100 0.029 0.000 1.136 124 T CB -0.270 68.665 68.868 0.112 0.000 0.874 124 T HN 0.139 nan 8.240 nan 0.000 0.466 125 L N 0.226 121.472 121.223 0.039 0.000 2.093 125 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 125 L C 3.241 180.133 176.870 0.036 0.000 1.085 125 L CA 1.340 56.203 54.840 0.038 0.000 0.755 125 L CB -0.485 41.594 42.059 0.032 0.000 0.904 125 L HN 0.216 nan 8.230 nan 0.000 0.435 126 R N 0.161 120.677 120.500 0.026 0.000 2.092 126 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 126 R C 2.351 178.670 176.300 0.031 0.000 1.119 126 R CA 1.294 57.408 56.100 0.022 0.000 0.970 126 R CB -0.195 30.111 30.300 0.011 0.000 0.864 126 R HN 0.340 nan 8.270 nan 0.000 0.440 127 A N 0.710 123.549 122.820 0.031 0.000 1.908 127 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 127 A C 2.328 179.955 177.584 0.071 0.000 1.181 127 A CA 1.744 53.806 52.037 0.043 0.000 0.627 127 A CB -0.774 18.246 19.000 0.032 0.000 0.818 127 A HN 0.518 nan 8.150 nan 0.000 0.445 128 A N -0.240 122.623 122.820 0.072 0.000 1.933 128 A HA 0.181 4.501 4.320 -0.000 0.000 0.218 128 A C 2.468 180.144 177.584 0.153 0.000 1.175 128 A CA 1.939 54.035 52.037 0.098 0.000 0.628 128 A CB -0.934 18.105 19.000 0.066 0.000 0.814 128 A HN 1.077 nan 8.150 nan 0.000 0.444 129 A N -0.267 122.614 122.820 0.102 0.000 1.940 129 A HA 0.173 4.493 4.320 -0.000 0.000 0.219 129 A C 2.219 179.829 177.584 0.044 0.000 1.176 129 A CA 1.884 53.970 52.037 0.082 0.000 0.631 129 A CB -0.700 18.329 19.000 0.049 0.000 0.814 129 A HN 1.127 nan 8.150 nan 0.000 0.446 130 A N -2.361 120.492 122.820 0.055 0.000 2.307 130 A HA 0.297 4.617 4.320 -0.000 0.000 0.218 130 A C 0.631 178.274 177.584 0.097 0.000 1.228 130 A CA 0.538 52.587 52.037 0.021 0.000 0.857 130 A CB -0.836 18.179 19.000 0.025 0.000 0.897 130 A HN 0.716 nan 8.150 nan 0.000 0.495 131 H N -1.051 118.034 119.070 0.024 0.000 2.861 131 H HA -0.166 4.390 4.556 -0.000 0.000 0.289 131 H C -0.277 175.070 175.328 0.032 0.000 1.176 131 H CA 0.402 56.464 56.048 0.024 0.000 1.146 131 H CB -1.393 28.381 29.762 0.019 0.000 1.330 131 H HN 0.741 nan 8.280 nan 0.000 0.379 132 Q N 1.166 121.051 119.800 0.142 0.000 2.293 132 Q HA 0.071 4.411 4.340 -0.000 0.000 0.251 132 Q C -1.311 174.751 176.000 0.103 0.000 0.930 132 Q CA -1.486 54.380 55.803 0.104 0.000 0.893 132 Q CB 0.990 29.775 28.738 0.079 0.000 1.215 132 Q HN 0.228 nan 8.270 nan 0.000 0.425 133 P HA -0.011 nan 4.420 nan 0.000 0.222 133 P C 0.117 177.521 177.300 0.173 0.000 1.153 133 P CA 0.765 63.963 63.100 0.164 0.000 0.798 133 P CB 0.540 32.367 31.700 0.211 0.000 0.796 134 G N -0.202 108.680 108.800 0.135 0.000 2.430 134 G HA2 0.507 4.467 3.960 -0.000 0.000 0.300 134 G HA3 0.507 4.467 3.960 -0.000 0.000 0.300 134 G C -1.842 173.021 174.900 -0.062 0.000 1.330 134 G CA -0.679 44.334 45.100 -0.145 0.000 0.813 134 G HN 0.192 nan 8.290 nan 0.000 0.487 135 I N -2.163 118.305 120.570 -0.171 0.000 2.740 135 I HA 0.836 5.005 4.170 -0.000 0.000 0.303 135 I C -0.959 175.177 176.117 0.031 0.000 1.044 135 I CA -1.488 59.791 61.300 -0.035 0.000 1.064 135 I CB 2.301 40.276 38.000 -0.043 0.000 1.249 135 I HN 0.381 nan 8.210 nan 0.000 0.433 136 I N 3.833 124.429 120.570 0.044 0.000 2.339 136 I HA 0.542 4.712 4.170 -0.000 0.000 0.290 136 I C -0.031 176.106 176.117 0.035 0.000 0.994 136 I CA -0.132 61.203 61.300 0.058 0.000 1.191 136 I CB 1.621 39.538 38.000 -0.138 0.000 1.343 136 I HN 0.697 nan 8.210 nan 0.000 0.458 137 S N 3.152 118.970 115.700 0.196 0.000 2.533 137 S HA 0.273 4.743 4.470 -0.000 0.000 0.271 137 S C -0.272 174.524 174.600 0.326 0.000 1.143 137 S CA -0.744 57.587 58.200 0.218 0.000 0.891 137 S CB 1.337 64.598 63.200 0.103 0.000 1.105 137 S HN 0.738 nan 8.310 nan 0.000 0.468 138 D N 2.588 123.164 120.400 0.293 0.000 2.339 138 D HA 0.099 4.739 4.640 -0.000 0.000 0.217 138 D C 0.539 176.848 176.300 0.015 0.000 1.050 138 D CA -0.062 54.000 54.000 0.103 0.000 0.856 138 D CB -0.157 40.606 40.800 -0.062 0.000 0.922 138 D HN 0.416 nan 8.370 nan 0.000 0.518 139 I N 1.248 121.809 120.570 -0.015 0.000 2.581 139 I HA 0.316 4.486 4.170 -0.000 0.000 0.285 139 I C 1.775 177.906 176.117 0.022 0.000 1.129 139 I CA 1.070 62.317 61.300 -0.088 0.000 1.397 139 I CB 0.092 37.880 38.000 -0.354 0.000 1.399 139 I HN 0.422 nan 8.210 nan 0.000 0.537 140 G N 6.621 115.425 108.800 0.007 0.000 2.253 140 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.209 140 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.209 140 G C 0.420 175.289 174.900 -0.052 0.000 0.997 140 G CA -0.673 44.426 45.100 -0.002 0.000 0.640 140 G HN 0.422 nan 8.290 nan 0.000 0.496 141 I N 2.270 122.808 120.570 -0.053 0.000 2.826 141 I HA 0.285 4.455 4.170 -0.000 0.000 0.295 141 I C 1.910 177.978 176.117 -0.081 0.000 1.213 141 I CA 2.467 63.720 61.300 -0.079 0.000 1.436 141 I CB -0.173 37.771 38.000 -0.092 0.000 1.348 141 I HN 1.404 nan 8.210 nan 0.000 0.570 142 G N 4.293 113.043 108.800 -0.082 0.000 2.179 142 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 142 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 142 G C 0.392 175.262 174.900 -0.050 0.000 0.977 142 G CA 0.598 45.650 45.100 -0.080 0.000 0.641 142 G HN 0.884 nan 8.290 nan 0.000 0.533 143 T N -2.309 112.224 114.554 -0.034 0.000 2.889 143 T HA 0.628 4.978 4.350 -0.000 0.000 0.278 143 T C 1.378 176.083 174.700 0.009 0.000 0.995 143 T CA 0.127 62.246 62.100 0.031 0.000 0.966 143 T CB 0.946 69.846 68.868 0.053 0.000 1.237 143 T HN 1.111 nan 8.240 nan 0.000 0.591 144 F N 0.004 119.917 119.950 -0.061 0.000 2.408 144 F HA 0.118 4.644 4.527 -0.000 0.000 0.300 144 F C 1.610 177.380 175.800 -0.051 0.000 1.090 144 F CA 0.368 58.324 58.000 -0.073 0.000 1.427 144 F CB -1.277 37.627 39.000 -0.161 0.000 1.070 144 F HN 0.228 nan 8.300 nan 0.000 0.549 145 V N 0.290 119.695 119.914 -0.849 0.000 2.667 145 V HA -0.192 3.928 4.120 -0.000 0.000 0.252 145 V C 0.978 176.899 176.094 -0.289 0.000 1.065 145 V CA 1.397 63.326 62.300 -0.619 0.000 1.083 145 V CB -0.885 30.645 31.823 -0.488 0.000 0.692 145 V HN 0.316 nan 8.190 nan 0.000 0.468 146 D N 1.367 121.642 120.400 -0.209 0.000 2.487 146 D HA -0.004 4.636 4.640 -0.000 0.000 0.243 146 D C -1.357 174.884 176.300 -0.098 0.000 1.154 146 D CA -1.587 52.326 54.000 -0.144 0.000 0.876 146 D CB 1.708 42.448 40.800 -0.101 0.000 1.161 146 D HN 0.157 nan 8.370 nan 0.000 0.478 147 P HA -0.088 nan 4.420 nan 0.000 0.225 147 P C 0.936 178.221 177.300 -0.026 0.000 1.148 147 P CA 0.697 63.770 63.100 -0.045 0.000 0.779 147 P CB 0.301 31.974 31.700 -0.045 0.000 0.780 148 R N -0.663 119.815 120.500 -0.036 0.000 2.235 148 R HA -0.016 4.324 4.340 -0.000 0.000 0.213 148 R C 2.174 178.465 176.300 -0.015 0.000 1.059 148 R CA 0.982 57.066 56.100 -0.027 0.000 0.997 148 R CB -0.114 30.163 30.300 -0.038 0.000 0.884 148 R HN 0.413 nan 8.270 nan 0.000 0.462 149 Q N -0.499 119.296 119.800 -0.007 0.000 2.496 149 Q HA 0.061 4.401 4.340 -0.000 0.000 0.299 149 Q C 1.194 177.222 176.000 0.047 0.000 1.044 149 Q CA 0.151 55.969 55.803 0.024 0.000 0.700 149 Q CB 0.203 28.967 28.738 0.044 0.000 3.313 149 Q HN -0.036 nan 8.270 nan 0.000 0.449 150 Q N -0.600 119.251 119.800 0.085 0.000 2.281 150 Q HA 0.229 4.569 4.340 -0.000 0.000 0.215 150 Q C 0.238 176.292 176.000 0.090 0.000 0.867 150 Q CA 0.583 56.454 55.803 0.113 0.000 0.940 150 Q CB 1.152 30.021 28.738 0.219 0.000 1.111 150 Q HN 0.738 nan 8.270 nan 0.000 0.513 151 G N 0.342 109.160 108.800 0.030 0.000 2.225 151 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.267 151 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.267 151 G C 0.841 175.790 174.900 0.082 0.000 1.024 151 G CA 0.442 45.555 45.100 0.021 0.000 0.784 151 G HN 0.870 nan 8.290 nan 0.000 0.507 152 G N -1.477 107.331 108.800 0.014 0.000 2.168 152 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.263 152 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.263 152 G C 0.375 175.450 174.900 0.290 0.000 0.977 152 G CA 1.161 46.320 45.100 0.099 0.000 0.659 152 G HN 1.087 nan 8.290 nan 0.000 0.533 153 K N -0.153 120.354 120.400 0.179 0.000 2.297 153 K HA 0.562 4.882 4.320 -0.000 0.000 0.286 153 K C 1.260 177.829 176.600 -0.051 0.000 1.053 153 K CA -0.502 55.754 56.287 -0.051 0.000 0.940 153 K CB 1.117 33.571 32.500 -0.076 0.000 1.019 153 K HN 0.166 nan 8.250 nan 0.000 0.475 154 L N 1.943 123.036 121.223 -0.217 0.000 2.554 154 L HA 0.020 4.360 4.340 -0.000 0.000 0.225 154 L C 0.287 177.011 176.870 -0.244 0.000 1.104 154 L CA 0.060 54.745 54.840 -0.258 0.000 0.866 154 L CB -0.301 41.454 42.059 -0.505 0.000 1.047 154 L HN 0.746 nan 8.230 nan 0.000 0.468 155 N N -2.499 116.068 118.700 -0.221 0.000 3.089 155 N HA 0.106 4.846 4.740 -0.000 0.000 0.271 155 N C 0.079 175.514 175.510 -0.126 0.000 1.507 155 N CA -0.797 52.152 53.050 -0.168 0.000 0.839 155 N CB 0.529 38.911 38.487 -0.176 0.000 1.564 155 N HN -0.191 nan 8.380 nan 0.000 0.568 156 E N -0.775 119.369 120.200 -0.093 0.000 2.208 156 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 156 E C 1.071 177.636 176.600 -0.058 0.000 0.988 156 E CA 0.721 57.082 56.400 -0.064 0.000 0.828 156 E CB 0.104 29.775 29.700 -0.048 0.000 0.763 156 E HN 0.344 nan 8.360 nan 0.000 0.478 157 V N 1.091 120.964 119.914 -0.068 0.000 3.461 157 V HA -0.036 4.084 4.120 -0.000 0.000 0.267 157 V C 0.308 176.365 176.094 -0.061 0.000 1.186 157 V CA 0.931 63.202 62.300 -0.048 0.000 1.154 157 V CB 0.100 31.902 31.823 -0.035 0.000 0.802 157 V HN 0.095 nan 8.190 nan 0.000 0.474 158 T N 1.774 116.255 114.554 -0.122 0.000 2.727 158 T HA 0.283 4.633 4.350 -0.000 0.000 0.298 158 T C 0.733 175.380 174.700 -0.088 0.000 0.942 158 T CA -0.348 61.640 62.100 -0.186 0.000 0.997 158 T CB 1.059 69.672 68.868 -0.425 0.000 0.917 158 T HN 0.261 nan 8.240 nan 0.000 0.487 159 K N 1.838 122.244 120.400 0.011 0.000 2.380 159 K HA 0.144 4.464 4.320 -0.000 0.000 0.200 159 K C 0.864 177.544 176.600 0.133 0.000 1.201 159 K CA 0.037 56.361 56.287 0.062 0.000 0.916 159 K CB 0.262 32.796 32.500 0.058 0.000 1.187 159 K HN 0.613 nan 8.250 nan 0.000 0.498 160 E N 2.987 123.315 120.200 0.213 0.000 2.415 160 E HA -0.052 4.298 4.350 -0.000 0.000 0.263 160 E C -0.845 175.934 176.600 0.297 0.000 0.995 160 E CA 0.045 56.595 56.400 0.250 0.000 0.915 160 E CB 0.486 30.360 29.700 0.289 0.000 0.951 160 E HN -0.002 nan 8.360 nan 0.000 0.449 161 D N 5.350 125.868 120.400 0.196 0.000 2.317 161 D HA 0.081 4.721 4.640 -0.000 0.000 0.252 161 D C 0.691 177.080 176.300 0.149 0.000 1.174 161 D CA 0.086 54.188 54.000 0.171 0.000 0.866 161 D CB 1.236 42.100 40.800 0.108 0.000 1.127 161 D HN 0.501 nan 8.370 nan 0.000 0.467 162 L N 1.941 123.244 121.223 0.133 0.000 2.609 162 L HA 0.284 4.624 4.340 -0.000 0.000 0.230 162 L C 0.570 177.480 176.870 0.067 0.000 1.087 162 L CA 0.306 55.200 54.840 0.091 0.000 0.874 162 L CB 0.387 42.448 42.059 0.004 0.000 1.114 162 L HN 0.211 nan 8.230 nan 0.000 0.488 163 I N 0.952 121.527 120.570 0.008 0.000 2.465 163 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 163 I C -0.510 175.565 176.117 -0.070 0.000 1.014 163 I CA -0.520 60.680 61.300 -0.168 0.000 1.093 163 I CB 1.912 39.696 38.000 -0.360 0.000 1.267 163 I HN 0.011 nan 8.210 nan 0.000 0.431 164 K N 5.442 125.829 120.400 -0.022 0.000 2.435 164 K HA 0.684 5.004 4.320 -0.000 0.000 0.251 164 K C -1.457 175.143 176.600 0.000 0.000 0.954 164 K CA -0.990 55.306 56.287 0.014 0.000 0.820 164 K CB 2.650 35.188 32.500 0.063 0.000 1.292 164 K HN 0.359 nan 8.250 nan 0.000 0.436 165 L N 2.630 123.845 121.223 -0.013 0.000 2.305 165 L HA 0.394 4.734 4.340 -0.000 0.000 0.281 165 L C -0.650 176.227 176.870 0.012 0.000 1.085 165 L CA -0.034 54.801 54.840 -0.008 0.000 0.813 165 L CB 1.411 43.451 42.059 -0.031 0.000 1.157 165 L HN 0.640 nan 8.230 nan 0.000 0.436 166 V N 1.404 121.354 119.914 0.060 0.000 3.167 166 V HA 0.712 4.832 4.120 -0.000 0.000 0.310 166 V C -0.975 175.140 176.094 0.035 0.000 1.207 166 V CA -0.853 61.460 62.300 0.023 0.000 1.059 166 V CB 1.837 33.715 31.823 0.093 0.000 1.079 166 V HN 0.843 nan 8.190 nan 0.000 0.446 167 E N 0.225 120.332 120.200 -0.155 0.000 2.256 167 E HA 0.677 5.027 4.350 -0.000 0.000 0.268 167 E C -2.280 174.095 176.600 -0.375 0.000 0.877 167 E CA -0.557 55.783 56.400 -0.099 0.000 0.757 167 E CB 2.049 31.680 29.700 -0.114 0.000 1.183 167 E HN 0.646 nan 8.360 nan 0.000 0.418 168 F N 2.383 122.487 119.950 0.257 0.000 2.561 168 F HA 0.248 4.775 4.527 -0.000 0.000 0.313 168 F C -0.215 175.709 175.800 0.207 0.000 1.126 168 F CA -0.846 57.254 58.000 0.167 0.000 0.918 168 F CB 1.791 40.812 39.000 0.034 0.000 1.199 168 F HN 0.448 nan 8.300 nan 0.000 0.444 169 D N 2.315 122.874 120.400 0.265 0.000 2.708 169 D HA -0.287 4.353 4.640 -0.000 0.000 0.236 169 D C 0.010 176.387 176.300 0.129 0.000 1.146 169 D CA 1.119 55.226 54.000 0.177 0.000 0.662 169 D CB -1.224 39.690 40.800 0.190 0.000 1.059 169 D HN 0.930 nan 8.370 nan 0.000 0.428 170 N N -1.085 117.665 118.700 0.084 0.000 2.693 170 N HA -0.254 4.486 4.740 -0.000 0.000 0.249 170 N C -0.508 175.013 175.510 0.019 0.000 1.119 170 N CA 1.538 54.609 53.050 0.035 0.000 0.717 170 N CB -0.300 38.198 38.487 0.019 0.000 1.071 170 N HN 0.500 nan 8.380 nan 0.000 0.555 171 K N 0.345 120.773 120.400 0.048 0.000 2.318 171 K HA 0.367 4.687 4.320 -0.000 0.000 0.249 171 K C -0.467 176.025 176.600 -0.180 0.000 0.942 171 K CA -0.704 55.526 56.287 -0.095 0.000 0.808 171 K CB 1.635 34.049 32.500 -0.143 0.000 1.189 171 K HN 0.090 nan 8.250 nan 0.000 0.428 172 E N 1.466 121.487 120.200 -0.298 0.000 2.313 172 E HA 0.194 4.544 4.350 -0.000 0.000 0.276 172 E C -1.099 175.226 176.600 -0.458 0.000 1.031 172 E CA -0.045 56.215 56.400 -0.234 0.000 0.857 172 E CB 0.666 30.265 29.700 -0.168 0.000 1.040 172 E HN 0.311 nan 8.360 nan 0.000 0.408 173 Y N 0.670 121.007 120.300 0.062 0.000 2.609 173 Y HA 0.385 4.935 4.550 -0.000 0.000 0.342 173 Y C -0.356 175.568 175.900 0.041 0.000 1.058 173 Y CA -0.918 57.231 58.100 0.083 0.000 1.055 173 Y CB 1.250 39.822 38.460 0.186 0.000 1.292 173 Y HN 0.281 nan 8.280 nan 0.000 0.476 174 L N 1.845 123.176 121.223 0.179 0.000 2.322 174 L HA 0.379 4.719 4.340 -0.000 0.000 0.279 174 L C -1.233 175.668 176.870 0.052 0.000 1.036 174 L CA -0.996 53.828 54.840 -0.027 0.000 0.807 174 L CB 1.273 43.126 42.059 -0.343 0.000 1.226 174 L HN 0.594 nan 8.230 nan 0.000 0.433 175 Y N 2.774 123.008 120.300 -0.109 0.000 2.353 175 Y HA 0.375 4.925 4.550 -0.000 0.000 0.340 175 Y C -1.169 174.638 175.900 -0.156 0.000 0.972 175 Y CA -0.585 57.495 58.100 -0.033 0.000 1.157 175 Y CB 0.521 38.997 38.460 0.027 0.000 1.157 175 Y HN 0.300 nan 8.280 nan 0.000 0.495 176 Y N 5.715 125.632 120.300 -0.638 0.000 2.335 176 Y HA 0.279 4.829 4.550 -0.000 0.000 0.339 176 Y C 0.272 175.748 175.900 -0.708 0.000 0.987 176 Y CA -0.900 56.822 58.100 -0.629 0.000 1.140 176 Y CB 1.087 39.140 38.460 -0.678 0.000 1.173 176 Y HN 0.505 nan 8.280 nan 0.000 0.486 177 K N 2.702 122.945 120.400 -0.262 0.000 2.451 177 K HA 0.418 4.738 4.320 -0.000 0.000 0.280 177 K C -0.327 176.315 176.600 0.069 0.000 1.020 177 K CA -0.210 56.018 56.287 -0.098 0.000 1.008 177 K CB 0.376 32.930 32.500 0.089 0.000 0.917 177 K HN 0.797 nan 8.250 nan 0.000 0.478 178 A N 5.657 128.493 122.820 0.027 0.000 2.320 178 A HA 0.389 4.709 4.320 -0.000 0.000 0.287 178 A C -0.431 177.186 177.584 0.054 0.000 1.181 178 A CA -0.622 51.455 52.037 0.066 0.000 0.831 178 A CB 0.025 19.052 19.000 0.044 0.000 1.102 178 A HN 0.754 nan 8.150 nan 0.000 0.513 179 I N 2.221 122.821 120.570 0.050 0.000 2.378 179 I HA 0.494 4.664 4.170 -0.000 0.000 0.291 179 I C 0.579 176.692 176.117 -0.006 0.000 0.992 179 I CA -0.175 61.124 61.300 -0.001 0.000 1.154 179 I CB 1.991 39.981 38.000 -0.016 0.000 1.315 179 I HN 0.674 nan 8.210 nan 0.000 0.448 180 A N 8.088 130.892 122.820 -0.026 0.000 2.301 180 A HA 0.807 5.127 4.320 -0.000 0.000 0.298 180 A C -2.510 175.050 177.584 -0.039 0.000 1.185 180 A CA -1.414 50.615 52.037 -0.013 0.000 0.830 180 A CB 0.051 19.049 19.000 -0.003 0.000 1.112 180 A HN 0.401 nan 8.150 nan 0.000 0.508 181 P HA 0.347 nan 4.420 nan 0.000 0.278 181 P C -0.388 176.890 177.300 -0.037 0.000 1.258 181 P CA -0.318 62.757 63.100 -0.043 0.000 0.811 181 P CB 0.982 32.663 31.700 -0.031 0.000 1.063 182 D N -0.355 120.014 120.400 -0.051 0.000 2.338 182 D HA 0.138 4.778 4.640 -0.000 0.000 0.208 182 D C 0.415 176.703 176.300 -0.021 0.000 0.997 182 D CA 1.128 55.106 54.000 -0.035 0.000 0.880 182 D CB 0.466 41.240 40.800 -0.043 0.000 0.980 182 D HN 0.203 nan 8.370 nan 0.000 0.509 183 I N 0.757 121.299 120.570 -0.046 0.000 2.619 183 I HA 0.489 4.659 4.170 -0.000 0.000 0.292 183 I C -0.626 175.444 176.117 -0.079 0.000 1.100 183 I CA -1.067 60.206 61.300 -0.045 0.000 1.043 183 I CB 1.885 39.835 38.000 -0.084 0.000 1.239 183 I HN -0.264 nan 8.210 nan 0.000 0.420 184 A N 5.787 128.606 122.820 -0.001 0.000 2.342 184 A HA 0.819 5.139 4.320 -0.000 0.000 0.323 184 A C -1.350 176.361 177.584 0.212 0.000 1.125 184 A CA -0.371 51.684 52.037 0.029 0.000 0.785 184 A CB 0.948 19.988 19.000 0.067 0.000 1.221 184 A HN 0.389 nan 8.150 nan 0.000 0.463 185 F N 3.234 123.205 119.950 0.034 0.000 2.293 185 F HA 0.443 4.970 4.527 -0.000 0.000 0.370 185 F C 0.459 176.282 175.800 0.037 0.000 1.090 185 F CA -1.345 56.675 58.000 0.033 0.000 1.133 185 F CB 0.332 39.353 39.000 0.035 0.000 1.360 185 F HN 0.561 nan 8.300 nan 0.000 0.489 186 I N 0.501 121.197 120.570 0.210 0.000 3.237 186 I HA 0.832 5.002 4.170 -0.000 0.000 0.308 186 I C -0.672 175.494 176.117 0.082 0.000 1.093 186 I CA -1.269 60.117 61.300 0.143 0.000 1.001 186 I CB 2.589 40.669 38.000 0.132 0.000 1.245 186 I HN 0.434 nan 8.210 nan 0.000 0.485 187 R N 1.388 121.926 120.500 0.064 0.000 2.629 187 R HA 0.827 5.167 4.340 -0.000 0.000 0.266 187 R C -2.027 174.152 176.300 -0.202 0.000 1.051 187 R CA -0.356 55.722 56.100 -0.036 0.000 0.895 187 R CB 2.214 32.510 30.300 -0.007 0.000 1.246 187 R HN 1.093 nan 8.270 nan 0.000 0.459 188 A N 1.117 123.706 122.820 -0.385 0.000 2.567 188 A HA 0.489 4.809 4.320 -0.000 0.000 0.289 188 A C 0.124 177.425 177.584 -0.472 0.000 1.177 188 A CA -0.523 50.998 52.037 -0.859 0.000 0.694 188 A CB 1.460 19.916 19.000 -0.906 0.000 1.292 188 A HN 0.697 nan 8.150 nan 0.000 0.425 189 T N 0.473 114.757 114.554 -0.449 0.000 2.732 189 T HA 0.167 4.517 4.350 -0.000 0.000 0.261 189 T C 0.461 175.074 174.700 -0.145 0.000 1.040 189 T CA 2.092 64.071 62.100 -0.202 0.000 1.145 189 T CB -0.135 68.665 68.868 -0.114 0.000 0.866 189 T HN 0.751 nan 8.240 nan 0.000 0.427 190 T N 0.938 115.406 114.554 -0.144 0.000 2.956 190 T HA 0.565 4.915 4.350 -0.000 0.000 0.312 190 T C -0.842 173.821 174.700 -0.062 0.000 1.151 190 T CA -0.939 61.117 62.100 -0.073 0.000 1.024 190 T CB 1.668 70.517 68.868 -0.033 0.000 1.140 190 T HN 0.555 nan 8.240 nan 0.000 0.473 191 C N 1.515 120.795 119.300 -0.033 0.000 2.994 191 C HA 0.949 5.409 4.460 -0.000 0.000 0.304 191 C C -0.280 174.724 174.990 0.024 0.000 1.273 191 C CA -1.106 57.913 59.018 0.002 0.000 1.537 191 C CB 1.211 28.942 27.740 -0.015 0.000 2.001 191 C HN 0.950 nan 8.230 nan 0.000 0.471 192 D N 0.981 121.418 120.400 0.062 0.000 2.433 192 D HA 0.278 4.918 4.640 -0.000 0.000 0.255 192 D C 1.297 177.633 176.300 0.059 0.000 1.226 192 D CA 0.183 54.217 54.000 0.057 0.000 1.015 192 D CB 0.576 41.410 40.800 0.057 0.000 1.091 192 D HN 0.842 nan 8.370 nan 0.000 0.527 193 S N -1.209 114.520 115.700 0.048 0.000 2.469 193 S HA -0.175 4.295 4.470 -0.000 0.000 0.238 193 S C 1.094 175.730 174.600 0.061 0.000 0.998 193 S CA 0.832 59.057 58.200 0.041 0.000 0.957 193 S CB -0.564 62.654 63.200 0.029 0.000 0.764 193 S HN 0.616 nan 8.310 nan 0.000 0.514 194 E N 0.382 120.651 120.200 0.115 0.000 2.481 194 E HA 0.307 4.657 4.350 -0.000 0.000 0.198 194 E C 1.171 177.830 176.600 0.098 0.000 1.027 194 E CA 0.210 56.703 56.400 0.155 0.000 0.900 194 E CB 0.280 30.148 29.700 0.279 0.000 0.993 194 E HN 0.686 nan 8.360 nan 0.000 0.482 195 G N 1.055 109.896 108.800 0.069 0.000 2.176 195 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.232 195 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.232 195 G C -0.221 174.616 174.900 -0.105 0.000 0.986 195 G CA -0.425 44.645 45.100 -0.049 0.000 0.643 195 G HN 0.213 nan 8.290 nan 0.000 0.522 196 Y N 1.574 121.839 120.300 -0.058 0.000 2.650 196 Y HA 0.431 4.981 4.550 -0.000 0.000 0.331 196 Y C 0.924 176.806 175.900 -0.030 0.000 1.165 196 Y CA 0.689 58.755 58.100 -0.058 0.000 1.473 196 Y CB 0.730 39.164 38.460 -0.043 0.000 1.224 196 Y HN 0.538 nan 8.280 nan 0.000 0.533 197 A N 2.892 125.762 122.820 0.083 0.000 2.350 197 A HA 0.774 5.094 4.320 -0.000 0.000 0.324 197 A C -0.100 177.577 177.584 0.156 0.000 1.118 197 A CA -0.541 51.535 52.037 0.064 0.000 0.783 197 A CB 0.774 19.775 19.000 0.001 0.000 1.236 197 A HN 0.666 nan 8.150 nan 0.000 0.457 198 T N -2.039 112.573 114.554 0.098 0.000 2.932 198 T HA 0.707 5.057 4.350 -0.000 0.000 0.289 198 T C -0.663 174.111 174.700 0.123 0.000 1.039 198 T CA -0.334 61.891 62.100 0.207 0.000 1.024 198 T CB 0.932 69.877 68.868 0.129 0.000 1.090 198 T HN 0.318 nan 8.240 nan 0.000 0.496 199 F N 0.942 120.939 119.950 0.078 0.000 2.850 199 F HA 0.261 4.788 4.527 -0.000 0.000 0.329 199 F C 2.034 177.892 175.800 0.097 0.000 1.182 199 F CA -1.003 57.069 58.000 0.119 0.000 1.270 199 F CB 0.445 39.601 39.000 0.259 0.000 0.979 199 F HN 0.778 nan 8.300 nan 0.000 0.506 200 E N -0.347 119.951 120.200 0.164 0.000 2.160 200 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 200 E C 0.331 176.966 176.600 0.060 0.000 0.991 200 E CA 1.749 58.208 56.400 0.099 0.000 0.810 200 E CB -0.066 29.665 29.700 0.051 0.000 0.742 200 E HN 0.294 nan 8.360 nan 0.000 0.466 201 D N 0.659 121.084 120.400 0.042 0.000 2.369 201 D HA 0.073 4.713 4.640 -0.000 0.000 0.211 201 D C -0.089 176.229 176.300 0.029 0.000 1.077 201 D CA 0.050 54.065 54.000 0.025 0.000 0.842 201 D CB 0.315 41.120 40.800 0.008 0.000 0.947 201 D HN 0.105 nan 8.370 nan 0.000 0.509 202 E N 0.813 121.047 120.200 0.057 0.000 2.373 202 E HA 0.142 4.492 4.350 -0.000 0.000 0.263 202 E C 0.778 177.395 176.600 0.028 0.000 1.073 202 E CA -0.394 56.046 56.400 0.067 0.000 0.894 202 E CB 1.471 31.279 29.700 0.181 0.000 1.008 202 E HN -0.165 nan 8.360 nan 0.000 0.420 206 L N 0.807 122.083 121.223 0.088 0.000 6.328 206 L HA -0.372 3.968 4.340 -0.000 0.000 0.053 206 L C 0.532 177.437 176.870 0.058 0.000 2.032 206 L CA 2.011 56.895 54.840 0.072 0.000 1.701 206 L CB -0.725 41.386 42.059 0.088 0.000 2.706 206 L HN 0.449 nan 8.230 nan 0.000 1.012 207 D N -0.390 120.045 120.400 0.059 0.000 2.788 207 D HA 0.424 5.064 4.640 -0.000 0.000 0.289 207 D C 0.857 177.174 176.300 0.028 0.000 1.340 207 D CA 0.369 54.389 54.000 0.033 0.000 0.831 207 D CB 0.603 41.431 40.800 0.047 0.000 1.103 207 D HN 0.597 nan 8.370 nan 0.000 0.476 208 A N 0.488 123.327 122.820 0.032 0.000 1.908 208 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 208 A C 1.971 179.571 177.584 0.026 0.000 1.181 208 A CA 1.234 53.315 52.037 0.074 0.000 0.627 208 A CB -0.521 18.593 19.000 0.191 0.000 0.818 208 A HN 0.360 nan 8.150 nan 0.000 0.445 209 L N -0.234 120.960 121.223 -0.049 0.000 2.046 209 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 209 L C 2.376 179.229 176.870 -0.030 0.000 1.077 209 L CA 1.860 56.663 54.840 -0.063 0.000 0.747 209 L CB -0.518 41.469 42.059 -0.121 0.000 0.896 209 L HN 0.138 nan 8.230 nan 0.000 0.432 210 V N 0.034 119.936 119.914 -0.020 0.000 2.287 210 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 210 V C 2.508 178.614 176.094 0.021 0.000 1.053 210 V CA 2.380 64.681 62.300 0.001 0.000 1.027 210 V CB -0.463 31.363 31.823 0.005 0.000 0.646 210 V HN 0.453 nan 8.190 nan 0.000 0.447 211 I N 0.151 120.738 120.570 0.028 0.000 2.179 211 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 211 I C 2.670 178.814 176.117 0.045 0.000 1.088 211 I CA 1.529 62.852 61.300 0.039 0.000 1.357 211 I CB -0.653 37.376 38.000 0.049 0.000 1.051 211 I HN 0.301 nan 8.210 nan 0.000 0.409 212 A N 0.249 123.093 122.820 0.039 0.000 1.883 212 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 212 A C 2.270 179.889 177.584 0.058 0.000 1.186 212 A CA 1.760 53.820 52.037 0.037 0.000 0.624 212 A CB -0.713 18.285 19.000 -0.004 0.000 0.822 212 A HN 0.483 nan 8.150 nan 0.000 0.444 213 Q N -0.800 119.024 119.800 0.040 0.000 2.084 213 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 213 Q C 2.471 178.534 176.000 0.104 0.000 0.978 213 Q CA 1.345 57.190 55.803 0.070 0.000 0.844 213 Q CB -0.399 28.359 28.738 0.035 0.000 0.898 213 Q HN 0.695 nan 8.270 nan 0.000 0.426 214 A N 0.375 123.241 122.820 0.077 0.000 1.877 214 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 214 A C 2.335 179.970 177.584 0.085 0.000 1.186 214 A CA 1.546 53.630 52.037 0.079 0.000 0.620 214 A CB -0.767 18.267 19.000 0.056 0.000 0.822 214 A HN 0.216 nan 8.150 nan 0.000 0.443 215 V N -0.598 119.363 119.914 0.078 0.000 2.307 215 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 215 V C 2.467 178.614 176.094 0.087 0.000 1.045 215 V CA 2.479 64.819 62.300 0.067 0.000 1.024 215 V CB -1.038 30.820 31.823 0.057 0.000 0.651 215 V HN 0.845 nan 8.190 nan 0.000 0.449 216 H N 1.044 120.133 119.070 0.032 0.000 2.319 216 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 216 H C 2.039 177.394 175.328 0.045 0.000 1.092 216 H CA 2.110 58.180 56.048 0.036 0.000 1.302 216 H CB -0.051 29.735 29.762 0.039 0.000 1.373 216 H HN 0.323 nan 8.280 nan 0.000 0.497 217 N N 0.145 118.891 118.700 0.076 0.000 2.515 217 N HA -0.102 4.638 4.740 -0.000 0.000 0.185 217 N C 0.739 176.339 175.510 0.150 0.000 1.109 217 N CA 0.542 53.617 53.050 0.041 0.000 0.903 217 N CB -0.160 38.337 38.487 0.017 0.000 0.969 217 N HN 0.418 nan 8.380 nan 0.000 0.450 218 N N 0.103 118.855 118.700 0.087 0.000 2.235 218 N HA 0.100 4.840 4.740 -0.000 0.000 0.209 218 N C 0.406 175.914 175.510 -0.003 0.000 1.122 218 N CA 0.238 53.322 53.050 0.058 0.000 0.845 218 N CB 0.004 38.509 38.487 0.030 0.000 1.004 218 N HN 0.141 nan 8.380 nan 0.000 0.499 219 G N -0.732 108.040 108.800 -0.048 0.000 2.221 219 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.265 219 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.265 219 G C 0.442 175.315 174.900 -0.045 0.000 1.041 219 G CA 0.283 45.340 45.100 -0.072 0.000 0.807 219 G HN 0.615 nan 8.290 nan 0.000 0.502 220 G N -1.206 107.575 108.800 -0.032 0.000 2.583 220 G HA2 0.730 4.690 3.960 -0.000 0.000 0.280 220 G HA3 0.730 4.690 3.960 -0.000 0.000 0.280 220 G C -0.189 174.722 174.900 0.018 0.000 1.376 220 G CA -1.062 44.038 45.100 -0.000 0.000 1.043 220 G HN 0.683 nan 8.290 nan 0.000 0.538 221 I N 0.552 121.143 120.570 0.034 0.000 2.410 221 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 221 I C -0.186 175.970 176.117 0.064 0.000 1.009 221 I CA -0.584 60.742 61.300 0.044 0.000 1.111 221 I CB 1.794 39.820 38.000 0.043 0.000 1.262 221 I HN 0.035 nan 8.210 nan 0.000 0.443 226 V N 0.060 119.927 119.914 -0.077 0.000 3.102 226 V HA 0.506 4.626 4.120 -0.000 0.000 0.312 226 V C 0.322 176.375 176.094 -0.067 0.000 1.135 226 V CA -0.667 61.577 62.300 -0.092 0.000 1.022 226 V CB 1.885 33.653 31.823 -0.092 0.000 1.056 226 V HN 0.946 nan 8.190 nan 0.000 0.436 227 Q N 1.191 120.950 119.800 -0.067 0.000 2.187 227 Q HA 0.106 4.446 4.340 -0.000 0.000 0.199 227 Q C 0.432 176.411 176.000 -0.034 0.000 0.957 227 Q CA 1.739 57.516 55.803 -0.044 0.000 0.857 227 Q CB 0.303 29.018 28.738 -0.040 0.000 0.929 227 Q HN 0.934 nan 8.270 nan 0.000 0.453 231 K N 1.657 122.057 120.400 0.000 0.000 2.448 231 K HA 0.159 4.479 4.320 -0.000 0.000 0.278 231 K C 0.369 176.966 176.600 -0.006 0.000 1.009 231 K CA -0.144 56.141 56.287 -0.003 0.000 0.995 231 K CB 0.500 32.996 32.500 -0.007 0.000 0.917 231 K HN 0.866 nan 8.250 nan 0.000 0.481 232 K N 2.910 123.308 120.400 -0.005 0.000 2.543 232 K HA -0.177 4.143 4.320 -0.000 0.000 0.279 232 K C -0.029 176.541 176.600 -0.050 0.000 1.001 232 K CA 1.113 57.390 56.287 -0.017 0.000 1.088 232 K CB -0.041 32.452 32.500 -0.011 0.000 0.863 232 K HN 0.839 nan 8.250 nan 0.000 0.488 233 A N 2.520 125.284 122.820 -0.093 0.000 2.872 233 A HA -0.174 4.146 4.320 -0.000 0.000 0.273 233 A C 0.830 178.362 177.584 -0.088 0.000 1.442 233 A CA 1.769 53.728 52.037 -0.130 0.000 0.801 233 A CB -2.560 16.359 19.000 -0.135 0.000 1.031 233 A HN 0.984 nan 8.150 nan 0.000 0.582 234 T N -2.615 111.905 114.554 -0.056 0.000 3.054 234 T HA 0.572 4.922 4.350 -0.000 0.000 0.255 234 T C 0.479 175.166 174.700 -0.022 0.000 1.035 234 T CA 0.363 62.441 62.100 -0.038 0.000 0.941 234 T CB -0.125 68.730 68.868 -0.022 0.000 1.026 234 T HN 0.554 nan 8.240 nan 0.000 0.533 235 L N 2.100 123.313 121.223 -0.016 0.000 2.375 235 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 235 L C 0.734 177.622 176.870 0.030 0.000 1.107 235 L CA -1.224 53.631 54.840 0.025 0.000 0.806 235 L CB 0.518 42.604 42.059 0.046 0.000 1.146 235 L HN 0.274 nan 8.230 nan 0.000 0.447 236 H N 5.067 124.130 119.070 -0.012 0.000 3.046 236 H HA 0.034 4.590 4.556 -0.000 0.000 0.303 236 H C -1.690 173.630 175.328 -0.014 0.000 1.002 236 H CA -1.467 54.572 56.048 -0.016 0.000 1.460 236 H CB 1.367 31.122 29.762 -0.010 0.000 1.493 236 H HN 0.369 nan 8.280 nan 0.000 0.559 237 P HA -0.134 nan 4.420 nan 0.000 0.218 237 P C 0.686 178.084 177.300 0.163 0.000 1.148 237 P CA 1.333 64.474 63.100 0.068 0.000 0.822 237 P CB 0.354 32.035 31.700 -0.031 0.000 0.784 238 K N -0.586 120.023 120.400 0.347 0.000 2.487 238 K HA 0.118 4.438 4.320 -0.000 0.000 0.192 238 K C 1.711 178.331 176.600 0.034 0.000 1.027 238 K CA 0.412 56.786 56.287 0.145 0.000 1.054 238 K CB -0.024 32.541 32.500 0.109 0.000 0.824 238 K HN 0.053 nan 8.250 nan 0.000 0.510 239 S N 0.262 116.008 115.700 0.077 0.000 2.517 239 S HA 0.070 4.540 4.470 -0.000 0.000 0.214 239 S C 0.443 175.083 174.600 0.067 0.000 0.991 239 S CA -0.237 57.986 58.200 0.037 0.000 0.906 239 S CB 0.543 63.768 63.200 0.042 0.000 0.789 239 S HN -0.066 nan 8.310 nan 0.000 0.513 240 V N 3.754 123.717 119.914 0.082 0.000 2.521 240 V HA 0.184 4.304 4.120 -0.000 0.000 0.286 240 V C 1.128 177.234 176.094 0.021 0.000 1.034 240 V CA 0.143 62.501 62.300 0.096 0.000 1.045 240 V CB 0.773 32.679 31.823 0.138 0.000 0.974 240 V HN 0.291 nan 8.190 nan 0.000 0.480 241 R N 3.965 124.477 120.500 0.021 0.000 2.254 241 R HA 0.406 4.746 4.340 -0.000 0.000 0.193 241 R C 0.042 176.279 176.300 -0.105 0.000 0.929 241 R CA 0.494 56.500 56.100 -0.157 0.000 1.038 241 R CB 0.569 30.591 30.300 -0.463 0.000 1.009 241 R HN 0.538 nan 8.270 nan 0.000 0.512 242 I N 3.906 124.476 120.570 -0.001 0.000 2.439 242 I HA 0.265 4.435 4.170 -0.000 0.000 0.285 242 I C -2.462 173.509 176.117 -0.243 0.000 1.021 242 I CA -2.414 58.829 61.300 -0.095 0.000 1.091 242 I CB 2.614 40.613 38.000 -0.002 0.000 1.242 242 I HN -0.289 nan 8.210 nan 0.000 0.439 243 P HA 0.076 nan 4.420 nan 0.000 0.271 243 P C 0.927 177.482 177.300 -1.241 0.000 1.216 243 P CA 0.001 62.564 63.100 -0.894 0.000 0.776 243 P CB 1.133 32.236 31.700 -0.995 0.000 0.881 244 G N 2.675 110.383 108.800 -1.820 0.000 2.450 244 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 244 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 244 G C 1.022 175.567 174.900 -0.592 0.000 1.130 244 G CA 0.574 45.053 45.100 -1.034 0.000 0.760 244 G HN 0.638 nan 8.290 nan 0.000 0.557 245 Y N -0.155 119.898 120.300 -0.412 0.000 2.639 245 Y HA 0.286 4.836 4.550 -0.000 0.000 0.297 245 Y C 1.982 177.690 175.900 -0.321 0.000 1.151 245 Y CA -0.069 57.886 58.100 -0.242 0.000 1.335 245 Y CB -0.460 37.900 38.460 -0.167 0.000 0.994 245 Y HN 0.127 nan 8.280 nan 0.000 0.548 246 L N 0.085 121.016 121.223 -0.486 0.000 2.509 246 L HA 0.131 4.471 4.340 -0.000 0.000 0.222 246 L C 0.041 176.815 176.870 -0.160 0.000 1.123 246 L CA -0.147 54.453 54.840 -0.399 0.000 0.856 246 L CB 0.181 42.002 42.059 -0.395 0.000 0.985 246 L HN 0.029 nan 8.230 nan 0.000 0.456 247 V N -0.026 119.795 119.914 -0.155 0.000 2.394 247 V HA 0.140 4.260 4.120 -0.000 0.000 0.282 247 V C 0.302 176.377 176.094 -0.032 0.000 1.031 247 V CA -0.428 61.826 62.300 -0.078 0.000 0.881 247 V CB 1.781 33.540 31.823 -0.106 0.000 0.982 247 V HN 0.118 nan 8.190 nan 0.000 0.451 248 D N 3.326 123.721 120.400 -0.008 0.000 2.394 248 D HA 0.284 4.924 4.640 -0.000 0.000 0.226 248 D C 0.250 176.515 176.300 -0.059 0.000 0.990 248 D CA 1.031 55.019 54.000 -0.019 0.000 0.902 248 D CB 1.253 42.046 40.800 -0.012 0.000 1.038 248 D HN 0.392 nan 8.370 nan 0.000 0.499 249 I N 1.066 121.605 120.570 -0.052 0.000 2.656 249 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 249 I C -0.956 175.138 176.117 -0.037 0.000 1.144 249 I CA -0.808 60.455 61.300 -0.062 0.000 1.038 249 I CB 3.291 41.241 38.000 -0.084 0.000 1.244 249 I HN -0.381 nan 8.210 nan 0.000 0.420 250 V N 6.248 126.140 119.914 -0.036 0.000 2.513 250 V HA 0.496 4.616 4.120 -0.000 0.000 0.299 250 V C -0.322 175.753 176.094 -0.032 0.000 1.035 250 V CA -0.721 61.559 62.300 -0.034 0.000 0.889 250 V CB 2.282 34.085 31.823 -0.033 0.000 0.988 250 V HN 0.389 nan 8.190 nan 0.000 0.440 251 V N 5.055 124.946 119.914 -0.040 0.000 2.448 251 V HA 0.439 4.559 4.120 -0.000 0.000 0.295 251 V C -0.221 175.849 176.094 -0.041 0.000 1.025 251 V CA -0.625 61.651 62.300 -0.040 0.000 0.859 251 V CB 1.975 33.763 31.823 -0.059 0.000 0.988 251 V HN 0.606 nan 8.190 nan 0.000 0.431 252 V N 3.708 123.603 119.914 -0.031 0.000 2.383 252 V HA 0.383 4.503 4.120 -0.000 0.000 0.275 252 V C -0.329 175.748 176.094 -0.028 0.000 1.036 252 V CA -0.286 61.995 62.300 -0.030 0.000 0.889 252 V CB 1.634 33.443 31.823 -0.022 0.000 0.985 252 V HN 0.939 nan 8.190 nan 0.000 0.459 253 D N 7.215 127.597 120.400 -0.031 0.000 2.464 253 D HA 0.390 5.030 4.640 -0.000 0.000 0.243 253 D C -1.435 174.854 176.300 -0.019 0.000 1.104 253 D CA -2.091 51.895 54.000 -0.024 0.000 0.883 253 D CB 2.189 42.973 40.800 -0.026 0.000 1.050 253 D HN 0.217 nan 8.370 nan 0.000 0.524 254 P HA -0.044 nan 4.420 nan 0.000 0.225 254 P C 0.212 177.508 177.300 -0.007 0.000 1.148 254 P CA 0.659 63.753 63.100 -0.011 0.000 0.779 254 P CB 0.558 32.253 31.700 -0.008 0.000 0.780 255 D N -0.837 119.560 120.400 -0.005 0.000 2.339 255 D HA -0.002 4.638 4.640 -0.000 0.000 0.217 255 D C 0.977 177.281 176.300 0.006 0.000 1.050 255 D CA 0.138 54.139 54.000 0.001 0.000 0.856 255 D CB -0.319 40.483 40.800 0.003 0.000 0.922 255 D HN 0.310 nan 8.370 nan 0.000 0.518 256 Q N 1.590 121.389 119.800 -0.001 0.000 2.269 256 Q HA 0.029 4.369 4.340 -0.000 0.000 0.300 256 Q C -0.254 175.752 176.000 0.009 0.000 1.070 256 Q CA 0.200 56.004 55.803 0.002 0.000 0.957 256 Q CB 0.430 29.158 28.738 -0.016 0.000 1.131 256 Q HN 0.067 nan 8.270 nan 0.000 0.377 257 S N 2.398 118.113 115.700 0.024 0.000 2.568 257 S HA 0.219 4.689 4.470 -0.000 0.000 0.302 257 S C 0.503 175.117 174.600 0.023 0.000 1.082 257 S CA -0.821 57.396 58.200 0.029 0.000 1.009 257 S CB 1.854 65.082 63.200 0.046 0.000 1.069 257 S HN 0.821 nan 8.310 nan 0.000 0.500 258 Q N 0.201 120.012 119.800 0.018 0.000 2.135 258 Q HA 0.076 4.416 4.340 -0.000 0.000 0.204 258 Q C -0.065 175.930 176.000 -0.007 0.000 0.981 258 Q CA 1.257 57.064 55.803 0.008 0.000 0.856 258 Q CB -0.313 28.434 28.738 0.016 0.000 0.902 258 Q HN 0.614 nan 8.270 nan 0.000 0.425 259 L N -1.955 119.271 121.223 0.006 0.000 2.341 259 L HA 0.360 4.700 4.340 -0.000 0.000 0.254 259 L C -0.606 176.307 176.870 0.072 0.000 1.040 259 L CA -1.302 53.524 54.840 -0.022 0.000 0.837 259 L CB 1.242 43.297 42.059 -0.007 0.000 1.425 259 L HN 0.023 nan 8.230 nan 0.000 0.414 260 Y N 0.068 120.383 120.300 0.026 0.000 2.683 260 Y HA 0.162 4.712 4.550 -0.000 0.000 0.340 260 Y C 1.396 177.308 175.900 0.020 0.000 1.245 260 Y CA 0.877 58.991 58.100 0.023 0.000 1.485 260 Y CB 0.559 39.034 38.460 0.026 0.000 1.328 260 Y HN 0.843 nan 8.280 nan 0.000 0.603 261 G N 0.176 109.086 108.800 0.183 0.000 2.211 261 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.201 261 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.201 261 G C 0.746 175.686 174.900 0.066 0.000 0.997 261 G CA -0.127 45.031 45.100 0.097 0.000 0.652 261 G HN 1.655 nan 8.290 nan 0.000 0.500 262 G N -0.236 108.607 108.800 0.071 0.000 2.155 262 G HA2 0.173 4.133 3.960 -0.000 0.000 0.257 262 G HA3 0.173 4.133 3.960 -0.000 0.000 0.257 262 G C 0.896 175.819 174.900 0.039 0.000 0.983 262 G CA 1.211 46.340 45.100 0.048 0.000 0.676 262 G HN 2.295 nan 8.290 nan 0.000 0.528 263 A N 0.814 123.661 122.820 0.044 0.000 2.445 263 A HA 0.633 4.953 4.320 -0.000 0.000 0.242 263 A C -0.422 177.182 177.584 0.032 0.000 1.075 263 A CA -0.163 51.896 52.037 0.037 0.000 0.777 263 A CB 0.223 19.248 19.000 0.041 0.000 1.013 263 A HN 0.380 nan 8.150 nan 0.000 0.493 264 P HA 0.187 nan 4.420 nan 0.000 0.273 264 P C -0.279 177.036 177.300 0.025 0.000 1.250 264 P CA -0.379 62.734 63.100 0.021 0.000 0.793 264 P CB 0.269 31.978 31.700 0.015 0.000 1.011 265 V N 2.353 122.279 119.914 0.020 0.000 2.617 265 V HA -0.051 4.069 4.120 -0.000 0.000 0.304 265 V C 1.114 177.226 176.094 0.029 0.000 1.040 265 V CA 0.398 62.712 62.300 0.023 0.000 1.149 265 V CB -0.658 31.175 31.823 0.016 0.000 0.914 265 V HN 0.624 nan 8.190 nan 0.000 0.487 266 N N 5.254 123.983 118.700 0.048 0.000 2.469 266 N HA 0.227 4.967 4.740 -0.000 0.000 0.253 266 N C 0.920 176.472 175.510 0.069 0.000 0.970 266 N CA -0.617 52.479 53.050 0.077 0.000 0.940 266 N CB 1.096 39.657 38.487 0.122 0.000 1.128 266 N HN 0.455 nan 8.380 nan 0.000 0.503 267 R N 2.774 123.274 120.500 -0.000 0.000 2.235 267 R HA -0.002 4.338 4.340 -0.000 0.000 0.213 267 R C 0.917 177.245 176.300 0.047 0.000 1.059 267 R CA 0.556 56.674 56.100 0.030 0.000 0.997 267 R CB -0.286 30.084 30.300 0.117 0.000 0.884 267 R HN 0.531 nan 8.270 nan 0.000 0.462 268 F N 0.748 120.790 119.950 0.154 0.000 2.146 268 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 268 F C 2.301 178.136 175.800 0.059 0.000 1.096 268 F CA 0.796 58.866 58.000 0.117 0.000 1.275 268 F CB -0.600 38.442 39.000 0.071 0.000 1.008 268 F HN -0.131 nan 8.300 nan 0.000 0.480 269 I N -0.669 120.037 120.570 0.227 0.000 2.226 269 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 269 I C 2.296 178.452 176.117 0.065 0.000 1.100 269 I CA 1.256 62.624 61.300 0.115 0.000 1.374 269 I CB -0.607 37.444 38.000 0.085 0.000 1.057 269 I HN 0.012 nan 8.210 nan 0.000 0.413 270 S N 0.262 115.999 115.700 0.061 0.000 2.419 270 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 270 S C 1.691 176.294 174.600 0.005 0.000 1.019 270 S CA 1.160 59.376 58.200 0.027 0.000 0.982 270 S CB -0.278 62.937 63.200 0.024 0.000 0.789 270 S HN 0.756 nan 8.310 nan 0.000 0.490 271 G N 0.946 109.760 108.800 0.024 0.000 2.144 271 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.218 271 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.218 271 G C 0.251 175.114 174.900 -0.062 0.000 0.988 271 G CA 0.307 45.405 45.100 -0.002 0.000 0.659 271 G HN 0.453 nan 8.290 nan 0.000 0.522 272 D N -0.630 119.698 120.400 -0.119 0.000 2.333 272 D HA 0.276 4.916 4.640 -0.000 0.000 0.208 272 D C 0.521 176.383 176.300 -0.729 0.000 0.984 272 D CA 0.765 54.523 54.000 -0.404 0.000 0.873 272 D CB 0.213 40.728 40.800 -0.475 0.000 0.935 272 D HN 0.407 nan 8.370 nan 0.000 0.521 273 F N -0.458 119.450 119.950 -0.071 0.000 2.599 273 F HA 0.314 4.841 4.527 -0.000 0.000 0.311 273 F C 0.221 176.135 175.800 0.191 0.000 1.076 273 F CA -0.931 57.044 58.000 -0.041 0.000 0.937 273 F CB 1.795 40.598 39.000 -0.329 0.000 1.282 273 F HN -0.520 nan 8.300 nan 0.000 0.460 274 T N 3.253 118.053 114.554 0.411 0.000 2.744 274 T HA 0.409 4.759 4.350 -0.000 0.000 0.291 274 T C -0.534 174.388 174.700 0.370 0.000 0.957 274 T CA -0.367 61.920 62.100 0.311 0.000 1.002 274 T CB 0.726 69.690 68.868 0.160 0.000 0.919 274 T HN 0.413 nan 8.240 nan 0.000 0.468 275 L N 3.896 125.221 121.223 0.171 0.000 2.416 275 L HA 0.298 4.638 4.340 -0.000 0.000 0.272 275 L C 0.563 177.380 176.870 -0.089 0.000 1.161 275 L CA -0.076 54.632 54.840 -0.220 0.000 0.845 275 L CB 0.511 42.262 42.059 -0.512 0.000 1.119 275 L HN 0.523 nan 8.230 nan 0.000 0.464 284 P HA 0.117 nan 4.420 nan 0.000 0.268 284 P C -0.294 176.992 177.300 -0.024 0.000 1.204 284 P CA -0.187 62.903 63.100 -0.016 0.000 0.768 284 P CB 0.830 32.523 31.700 -0.012 0.000 0.842 285 L N 4.255 125.465 121.223 -0.021 0.000 2.448 285 L HA 0.077 4.417 4.340 -0.000 0.000 0.278 285 L C 0.374 177.229 176.870 -0.027 0.000 1.201 285 L CA 0.029 54.849 54.840 -0.033 0.000 1.036 285 L CB -0.834 41.211 42.059 -0.023 0.000 1.325 285 L HN 0.555 nan 8.230 nan 0.000 0.441 286 N N 1.059 119.736 118.700 -0.037 0.000 2.815 286 N HA 0.121 4.861 4.740 -0.000 0.000 0.315 286 N C 0.403 175.887 175.510 -0.044 0.000 1.320 286 N CA -0.809 52.224 53.050 -0.027 0.000 0.846 286 N CB 0.376 38.851 38.487 -0.020 0.000 1.344 286 N HN 0.279 nan 8.380 nan 0.000 0.593 287 Q N -0.274 119.509 119.800 -0.028 0.000 2.112 287 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 287 Q C 1.479 177.446 176.000 -0.056 0.000 0.987 287 Q CA 1.669 57.453 55.803 -0.032 0.000 0.858 287 Q CB -0.006 28.726 28.738 -0.010 0.000 0.905 287 Q HN 0.539 nan 8.270 nan 0.000 0.420 288 R N 0.102 120.570 120.500 -0.053 0.000 2.081 288 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 288 R C 2.466 178.711 176.300 -0.092 0.000 1.131 288 R CA 1.539 57.600 56.100 -0.064 0.000 0.960 288 R CB -0.188 30.083 30.300 -0.050 0.000 0.856 288 R HN 0.168 nan 8.270 nan 0.000 0.436 289 K N 1.037 121.381 120.400 -0.094 0.000 2.057 289 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 289 K C 2.128 178.623 176.600 -0.176 0.000 1.050 289 K CA 0.873 57.089 56.287 -0.119 0.000 0.935 289 K CB -0.082 32.360 32.500 -0.096 0.000 0.715 289 K HN 0.136 nan 8.250 nan 0.000 0.439 290 L N 0.865 121.973 121.223 -0.192 0.000 1.990 290 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 290 L C 2.147 178.846 176.870 -0.284 0.000 1.072 290 L CA 1.505 56.170 54.840 -0.292 0.000 0.755 290 L CB -0.263 41.629 42.059 -0.278 0.000 0.889 290 L HN 0.077 nan 8.230 nan 0.000 0.432 291 V N -0.022 119.779 119.914 -0.188 0.000 2.343 291 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 291 V C 2.762 178.739 176.094 -0.196 0.000 1.051 291 V CA 1.627 63.835 62.300 -0.154 0.000 1.036 291 V CB -0.982 30.796 31.823 -0.076 0.000 0.654 291 V HN 0.581 nan 8.190 nan 0.000 0.451 292 A N -0.024 122.676 122.820 -0.200 0.000 1.902 292 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 292 A C 2.383 179.791 177.584 -0.294 0.000 1.181 292 A CA 1.780 53.675 52.037 -0.235 0.000 0.623 292 A CB -0.479 18.409 19.000 -0.187 0.000 0.818 292 A HN 0.500 nan 8.150 nan 0.000 0.443 293 R N -1.224 119.088 120.500 -0.314 0.000 2.083 293 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 293 R C 2.458 178.366 176.300 -0.653 0.000 1.137 293 R CA 1.681 57.536 56.100 -0.408 0.000 0.951 293 R CB -0.275 29.797 30.300 -0.381 0.000 0.851 293 R HN 0.396 nan 8.270 nan 0.000 0.434 294 R N 0.995 121.103 120.500 -0.652 0.000 2.092 294 R HA -0.021 4.319 4.340 -0.000 0.000 0.231 294 R C 1.923 177.968 176.300 -0.425 0.000 1.119 294 R CA 1.720 57.361 56.100 -0.765 0.000 0.970 294 R CB -0.663 29.356 30.300 -0.468 0.000 0.864 294 R HN 0.257 nan 8.270 nan 0.000 0.440 295 A N 0.336 122.995 122.820 -0.268 0.000 1.933 295 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 295 A C 2.020 179.536 177.584 -0.114 0.000 1.175 295 A CA 1.406 53.375 52.037 -0.113 0.000 0.628 295 A CB -0.631 18.212 19.000 -0.261 0.000 0.814 295 A HN 0.358 nan 8.150 nan 0.000 0.444 296 L N -1.468 119.599 121.223 -0.261 0.000 2.191 296 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 296 L C 1.824 178.663 176.870 -0.052 0.000 1.103 296 L CA 1.520 56.225 54.840 -0.225 0.000 0.769 296 L CB -0.681 41.187 42.059 -0.319 0.000 0.908 296 L HN 0.334 nan 8.230 nan 0.000 0.438 297 F N -0.013 119.744 119.950 -0.322 0.000 2.373 297 F HA -0.087 4.440 4.527 0.000 0.000 0.300 297 F C 1.734 177.573 175.800 0.066 0.000 1.080 297 F CA 0.193 58.134 58.000 -0.099 0.000 1.417 297 F CB -0.795 38.166 39.000 -0.065 0.000 1.070 297 F HN 0.175 nan 8.300 nan 0.000 0.546 301 K N 0.871 121.316 120.400 0.074 0.000 2.489 301 K HA 0.107 4.427 4.320 -0.000 0.000 0.278 301 K C 0.745 177.404 176.600 0.098 0.000 1.000 301 K CA 1.619 57.968 56.287 0.103 0.000 1.012 301 K CB 0.438 32.971 32.500 0.055 0.000 0.903 301 K HN 0.859 nan 8.250 nan 0.000 0.485 302 G N 1.114 109.990 108.800 0.127 0.000 2.162 302 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 302 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 302 G C 0.217 175.188 174.900 0.117 0.000 0.976 302 G CA 0.268 45.431 45.100 0.105 0.000 0.655 302 G HN 0.849 nan 8.290 nan 0.000 0.533 303 A N -0.447 122.458 122.820 0.141 0.000 2.371 303 A HA 0.669 4.989 4.320 -0.000 0.000 0.257 303 A C 0.459 178.140 177.584 0.163 0.000 1.089 303 A CA 0.299 52.403 52.037 0.112 0.000 0.794 303 A CB 1.058 20.089 19.000 0.052 0.000 1.029 303 A HN 1.138 nan 8.150 nan 0.000 0.488 304 V N 2.438 122.432 119.914 0.134 0.000 2.350 304 V HA 0.606 4.726 4.120 -0.000 0.000 0.276 304 V C 0.879 177.038 176.094 0.108 0.000 1.028 304 V CA 0.294 62.694 62.300 0.167 0.000 0.860 304 V CB 0.805 32.770 31.823 0.238 0.000 0.990 304 V HN 1.153 nan 8.190 nan 0.000 0.453 305 G N 3.279 112.159 108.800 0.133 0.000 2.685 305 G HA2 0.559 4.518 3.960 -0.000 0.000 0.298 305 G HA3 0.559 4.518 3.960 -0.000 0.000 0.298 305 G C -1.209 173.728 174.900 0.062 0.000 1.277 305 G CA -0.644 44.494 45.100 0.062 0.000 0.986 305 G HN 0.565 nan 8.290 nan 0.000 0.487 306 N N -0.604 118.096 118.700 -0.000 0.000 2.310 306 N HA 0.434 5.174 4.740 -0.000 0.000 0.292 306 N C -1.656 173.916 175.510 0.104 0.000 1.049 306 N CA -0.304 52.756 53.050 0.017 0.000 0.849 306 N CB 2.500 40.898 38.487 -0.149 0.000 1.532 306 N HN 0.211 nan 8.380 nan 0.000 0.479 307 V N 1.784 121.776 119.914 0.130 0.000 2.409 307 V HA 0.603 4.723 4.120 -0.000 0.000 0.291 307 V C 1.089 177.236 176.094 0.089 0.000 1.020 307 V CA -0.779 61.605 62.300 0.140 0.000 0.848 307 V CB 1.163 33.031 31.823 0.076 0.000 0.990 307 V HN 0.716 nan 8.190 nan 0.000 0.430 308 G N 2.966 111.822 108.800 0.092 0.000 2.504 308 G HA2 0.491 4.451 3.960 -0.000 0.000 0.288 308 G HA3 0.491 4.451 3.960 -0.000 0.000 0.288 308 G C -0.254 174.690 174.900 0.074 0.000 1.182 308 G CA -0.552 44.603 45.100 0.091 0.000 0.894 308 G HN 0.551 nan 8.290 nan 0.000 0.521 309 V N 0.962 120.919 119.914 0.071 0.000 2.673 309 V HA 0.513 4.633 4.120 -0.000 0.000 0.303 309 V C 1.184 177.309 176.094 0.052 0.000 1.046 309 V CA 1.729 64.062 62.300 0.056 0.000 1.126 309 V CB 0.116 31.975 31.823 0.059 0.000 0.934 309 V HN 1.593 nan 8.190 nan 0.000 0.487 310 G N 3.440 112.257 108.800 0.028 0.000 2.302 310 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.264 310 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.264 310 G C 0.282 175.172 174.900 -0.017 0.000 1.335 310 G CA -0.217 44.887 45.100 0.006 0.000 0.982 310 G HN 0.659 nan 8.290 nan 0.000 0.473 311 I N 0.862 121.408 120.570 -0.040 0.000 2.335 311 I HA 0.008 4.178 4.170 -0.000 0.000 0.251 311 I C 2.510 178.593 176.117 -0.058 0.000 1.129 311 I CA 2.555 63.825 61.300 -0.052 0.000 1.402 311 I CB -0.064 37.893 38.000 -0.071 0.000 1.069 311 I HN 0.714 nan 8.210 nan 0.000 0.424 312 A N 0.127 122.914 122.820 -0.055 0.000 2.275 312 A HA -0.049 4.271 4.320 -0.000 0.000 0.212 312 A C 1.459 178.976 177.584 -0.111 0.000 1.201 312 A CA 0.634 52.612 52.037 -0.098 0.000 0.843 312 A CB -0.459 18.484 19.000 -0.096 0.000 0.873 312 A HN 0.622 nan 8.150 nan 0.000 0.492 313 D N -0.556 119.809 120.400 -0.059 0.000 2.392 313 D HA 0.019 4.659 4.640 -0.000 0.000 0.228 313 D C 1.206 177.477 176.300 -0.049 0.000 1.003 313 D CA 0.972 54.947 54.000 -0.042 0.000 0.917 313 D CB -0.597 40.200 40.800 -0.006 0.000 0.890 313 D HN 0.219 nan 8.370 nan 0.000 0.532 314 G N 0.176 108.935 108.800 -0.067 0.000 3.141 314 G HA2 0.034 3.994 3.960 -0.000 0.000 0.218 314 G HA3 0.034 3.994 3.960 -0.000 0.000 0.218 314 G C 1.254 176.107 174.900 -0.077 0.000 1.170 314 G CA -0.249 44.815 45.100 -0.060 0.000 0.769 314 G HN 0.365 nan 8.290 nan 0.000 0.546 315 I N 0.889 121.387 120.570 -0.121 0.000 2.423 315 I HA -0.107 4.063 4.170 -0.000 0.000 0.254 315 I C 2.576 178.675 176.117 -0.030 0.000 1.151 315 I CA 1.319 62.529 61.300 -0.149 0.000 1.421 315 I CB 0.044 37.844 38.000 -0.333 0.000 1.079 315 I HN 0.201 nan 8.210 nan 0.000 0.431 316 G N 0.927 109.730 108.800 0.006 0.000 2.421 316 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 316 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 316 G C 1.581 176.496 174.900 0.027 0.000 1.171 316 G CA 0.752 45.884 45.100 0.053 0.000 0.775 316 G HN 0.416 nan 8.290 nan 0.000 0.543 317 L N 0.268 121.490 121.223 -0.003 0.000 2.141 317 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 317 L C 2.953 179.822 176.870 -0.003 0.000 1.094 317 L CA 0.273 55.107 54.840 -0.009 0.000 0.763 317 L CB -0.480 41.567 42.059 -0.021 0.000 0.908 317 L HN 0.089 nan 8.230 nan 0.000 0.437 318 V N 0.264 120.171 119.914 -0.012 0.000 2.307 318 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 318 V C 2.826 178.945 176.094 0.041 0.000 1.045 318 V CA 1.777 64.068 62.300 -0.014 0.000 1.024 318 V CB -0.886 30.895 31.823 -0.070 0.000 0.651 318 V HN 0.466 nan 8.190 nan 0.000 0.449 319 A N 0.115 122.990 122.820 0.093 0.000 1.917 319 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 319 A C 2.413 180.069 177.584 0.121 0.000 1.182 319 A CA 2.347 54.501 52.037 0.195 0.000 0.633 319 A CB -0.630 18.599 19.000 0.381 0.000 0.819 319 A HN 0.511 nan 8.150 nan 0.000 0.448 320 R N -0.488 120.046 120.500 0.057 0.000 2.092 320 R HA -0.136 4.203 4.340 -0.000 0.000 0.231 320 R C 2.171 178.489 176.300 0.030 0.000 1.119 320 R CA 1.583 57.696 56.100 0.021 0.000 0.970 320 R CB -0.279 30.018 30.300 -0.005 0.000 0.864 320 R HN 0.687 nan 8.270 nan 0.000 0.440 321 E N 0.026 120.246 120.200 0.033 0.000 2.110 321 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 321 E C 1.012 177.646 176.600 0.056 0.000 0.988 321 E CA 0.962 57.381 56.400 0.032 0.000 0.804 321 E CB 0.245 29.957 29.700 0.021 0.000 0.745 321 E HN 0.346 nan 8.360 nan 0.000 0.458 322 E N -0.888 119.367 120.200 0.092 0.000 2.489 322 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 322 E C 1.039 177.711 176.600 0.119 0.000 1.057 322 E CA 0.661 57.143 56.400 0.136 0.000 0.866 322 E CB 0.740 30.583 29.700 0.239 0.000 0.916 322 E HN 0.407 nan 8.360 nan 0.000 0.500 323 G N 1.866 110.717 108.800 0.085 0.000 2.147 323 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.244 323 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.244 323 G C 0.914 175.851 174.900 0.061 0.000 1.005 323 G CA 0.490 45.623 45.100 0.055 0.000 0.713 323 G HN 0.436 nan 8.290 nan 0.000 0.515 324 C N -2.054 117.313 119.300 0.112 0.000 3.125 324 C HA 0.814 5.274 4.460 -0.000 0.000 0.284 324 C C 2.487 177.528 174.990 0.084 0.000 1.386 324 C CA 0.357 59.459 59.018 0.141 0.000 1.763 324 C CB -0.168 27.722 27.740 0.250 0.000 2.377 324 C HN 1.256 nan 8.230 nan 0.000 0.620 325 A N 1.525 124.317 122.820 -0.046 0.000 1.972 325 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 325 A C 1.736 179.043 177.584 -0.462 0.000 1.169 325 A CA 2.011 53.858 52.037 -0.318 0.000 0.635 325 A CB -0.458 18.434 19.000 -0.181 0.000 0.810 325 A HN 0.607 nan 8.150 nan 0.000 0.446 326 D N 0.067 120.332 120.400 -0.224 0.000 2.349 326 D HA -0.017 4.623 4.640 -0.000 0.000 0.224 326 D C 0.254 176.477 176.300 -0.129 0.000 1.029 326 D CA 0.442 54.337 54.000 -0.175 0.000 0.879 326 D CB -0.040 40.704 40.800 -0.093 0.000 0.906 326 D HN 0.384 nan 8.370 nan 0.000 0.528 327 D N -0.276 120.064 120.400 -0.101 0.000 2.354 327 D HA 0.057 4.697 4.640 -0.000 0.000 0.209 327 D C 0.667 177.063 176.300 0.161 0.000 1.015 327 D CA 0.192 54.223 54.000 0.052 0.000 0.867 327 D CB 0.400 41.283 40.800 0.137 0.000 0.933 327 D HN 0.306 nan 8.370 nan 0.000 0.520 328 F N -0.852 119.121 119.950 0.040 0.000 2.675 328 F HA 0.652 5.179 4.527 -0.000 0.000 0.324 328 F C -1.285 174.540 175.800 0.041 0.000 1.106 328 F CA -1.760 56.269 58.000 0.047 0.000 0.970 328 F CB 1.212 40.254 39.000 0.069 0.000 1.385 328 F HN -0.312 nan 8.300 nan 0.000 0.489 329 I N 2.053 122.772 120.570 0.248 0.000 2.499 329 I HA 0.541 4.711 4.170 -0.000 0.000 0.288 329 I C -1.695 174.562 176.117 0.233 0.000 1.048 329 I CA -0.767 60.605 61.300 0.119 0.000 1.062 329 I CB 1.775 39.812 38.000 0.061 0.000 1.238 329 I HN 0.649 nan 8.210 nan 0.000 0.426 330 L N 6.769 128.101 121.223 0.181 0.000 2.309 330 L HA 0.644 4.984 4.340 -0.000 0.000 0.282 330 L C 0.113 177.056 176.870 0.121 0.000 1.036 330 L CA -0.552 54.402 54.840 0.190 0.000 0.806 330 L CB 1.669 43.849 42.059 0.201 0.000 1.220 330 L HN 0.671 nan 8.230 nan 0.000 0.429 331 T N -0.227 114.413 114.554 0.144 0.000 2.932 331 T HA 0.748 5.098 4.350 -0.000 0.000 0.289 331 T C -0.456 174.335 174.700 0.152 0.000 1.039 331 T CA -0.770 61.415 62.100 0.141 0.000 1.024 331 T CB 2.131 71.135 68.868 0.226 0.000 1.090 331 T HN 0.188 nan 8.240 nan 0.000 0.496 332 V N 3.027 122.997 119.914 0.093 0.000 2.495 332 V HA 0.330 4.450 4.120 -0.000 0.000 0.298 332 V C 1.614 177.699 176.094 -0.015 0.000 1.031 332 V CA -0.816 61.522 62.300 0.064 0.000 0.871 332 V CB 1.631 33.464 31.823 0.016 0.000 0.988 332 V HN 1.102 nan 8.190 nan 0.000 0.432 333 E N 2.683 122.875 120.200 -0.014 0.000 2.209 333 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 333 E C 1.461 177.788 176.600 -0.455 0.000 0.993 333 E CA 1.918 58.091 56.400 -0.378 0.000 0.819 333 E CB -0.377 29.193 29.700 -0.216 0.000 0.745 333 E HN 0.842 nan 8.360 nan 0.000 0.477 334 T N -3.536 110.922 114.554 -0.160 0.000 3.113 334 T HA 0.386 4.736 4.350 -0.000 0.000 0.256 334 T C 1.436 176.069 174.700 -0.112 0.000 1.131 334 T CA 0.695 62.745 62.100 -0.083 0.000 1.074 334 T CB 0.421 69.284 68.868 -0.008 0.000 0.944 334 T HN 0.415 nan 8.240 nan 0.000 0.516 335 G N 1.012 109.718 108.800 -0.157 0.000 3.134 335 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.195 335 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.195 335 G C -2.677 172.147 174.900 -0.127 0.000 1.054 335 G CA -0.666 44.347 45.100 -0.146 0.000 0.828 335 G HN 0.496 nan 8.290 nan 0.000 0.462 336 P HA 0.483 nan 4.420 nan 0.000 0.268 336 P C -0.249 177.016 177.300 -0.059 0.000 1.204 336 P CA 0.461 63.507 63.100 -0.090 0.000 0.768 336 P CB 0.798 32.455 31.700 -0.071 0.000 0.842 337 I N 2.726 123.261 120.570 -0.058 0.000 2.382 337 I HA 0.520 4.690 4.170 -0.000 0.000 0.286 337 I C 0.891 176.989 176.117 -0.031 0.000 1.002 337 I CA -0.051 61.226 61.300 -0.039 0.000 1.135 337 I CB 1.052 39.015 38.000 -0.062 0.000 1.288 337 I HN 0.597 nan 8.210 nan 0.000 0.448 338 G N 4.184 112.976 108.800 -0.014 0.000 2.693 338 G HA2 0.293 4.253 3.960 -0.000 0.000 0.226 338 G HA3 0.293 4.253 3.960 -0.000 0.000 0.226 338 G C -0.031 174.852 174.900 -0.029 0.000 1.354 338 G CA -0.260 44.824 45.100 -0.026 0.000 0.873 338 G HN 1.595 nan 8.290 nan 0.000 0.562 339 G N -2.060 106.716 108.800 -0.040 0.000 2.479 339 G HA2 0.561 4.521 3.960 -0.000 0.000 0.686 339 G HA3 0.561 4.521 3.960 -0.000 0.000 0.686 339 G C -0.377 174.500 174.900 -0.038 0.000 1.295 339 G CA 0.166 45.246 45.100 -0.033 0.000 0.922 339 G HN 2.484 nan 8.290 nan 0.000 0.582 340 I N -3.239 117.309 120.570 -0.035 0.000 2.934 340 I HA 0.834 5.004 4.170 -0.000 0.000 0.306 340 I C -0.019 176.077 176.117 -0.035 0.000 1.110 340 I CA -1.179 60.097 61.300 -0.040 0.000 1.019 340 I CB 2.348 40.317 38.000 -0.051 0.000 1.227 340 I HN 0.529 nan 8.210 nan 0.000 0.434 341 T N 2.670 117.204 114.554 -0.032 0.000 2.743 341 T HA 0.259 4.609 4.350 -0.000 0.000 0.293 341 T C 0.187 174.860 174.700 -0.045 0.000 0.945 341 T CA -0.206 61.876 62.100 -0.031 0.000 1.030 341 T CB 1.043 69.898 68.868 -0.021 0.000 0.912 341 T HN 0.708 nan 8.240 nan 0.000 0.483 349 A N -0.096 122.729 122.820 0.009 0.000 2.609 349 A HA 0.760 5.080 4.320 -0.000 0.000 0.291 349 A C -0.922 176.665 177.584 0.005 0.000 1.096 349 A CA -0.716 51.323 52.037 0.004 0.000 0.684 349 A CB 0.843 19.845 19.000 0.004 0.000 1.282 349 A HN 0.148 nan 8.150 nan 0.000 0.412 350 N N -0.851 117.849 118.700 -0.001 0.000 2.493 350 N HA 0.564 5.304 4.740 -0.000 0.000 0.275 350 N C -0.214 175.300 175.510 0.007 0.000 1.186 350 N CA -0.251 52.797 53.050 -0.004 0.000 0.978 350 N CB 1.583 40.064 38.487 -0.010 0.000 1.184 350 N HN 0.728 nan 8.380 nan 0.000 0.487 351 V N -1.093 118.824 119.914 0.004 0.000 3.155 351 V HA 0.513 4.633 4.120 -0.000 0.000 0.313 351 V C -0.084 176.019 176.094 0.015 0.000 1.162 351 V CA -0.933 61.386 62.300 0.032 0.000 1.048 351 V CB 1.719 33.565 31.823 0.038 0.000 1.092 351 V HN 0.782 nan 8.190 nan 0.000 0.447 352 N N 0.252 118.979 118.700 0.045 0.000 2.708 352 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 352 N C 0.383 175.891 175.510 -0.003 0.000 1.097 352 N CA 1.395 54.460 53.050 0.025 0.000 0.710 352 N CB -2.067 36.423 38.487 0.004 0.000 1.032 352 N HN 1.420 nan 8.380 nan 0.000 0.551 353 T N -2.982 111.567 114.554 -0.007 0.000 2.855 353 T HA 0.249 4.599 4.350 -0.000 0.000 0.314 353 T C 1.435 176.116 174.700 -0.031 0.000 1.077 353 T CA -0.192 61.892 62.100 -0.027 0.000 1.095 353 T CB 1.476 70.320 68.868 -0.039 0.000 0.987 353 T HN 0.041 nan 8.240 nan 0.000 0.546 354 R N 0.782 121.259 120.500 -0.039 0.000 2.206 354 R HA 0.515 4.855 4.340 -0.000 0.000 0.198 354 R C 0.701 176.973 176.300 -0.045 0.000 0.986 354 R CA 0.685 56.761 56.100 -0.040 0.000 1.029 354 R CB -0.432 29.843 30.300 -0.042 0.000 0.966 354 R HN 0.903 nan 8.270 nan 0.000 0.487 355 A N 0.419 123.207 122.820 -0.054 0.000 2.597 355 A HA 0.634 4.954 4.320 -0.000 0.000 0.292 355 A C -1.485 176.054 177.584 -0.076 0.000 1.057 355 A CA -0.667 51.336 52.037 -0.057 0.000 0.674 355 A CB 1.085 20.049 19.000 -0.060 0.000 1.278 355 A HN 0.058 nan 8.150 nan 0.000 0.416 356 I N 1.813 122.339 120.570 -0.075 0.000 2.439 356 I HA 0.373 4.543 4.170 -0.000 0.000 0.285 356 I C -0.582 175.533 176.117 -0.003 0.000 1.021 356 I CA -0.301 60.923 61.300 -0.128 0.000 1.091 356 I CB 1.480 39.272 38.000 -0.346 0.000 1.242 356 I HN 0.502 nan 8.210 nan 0.000 0.439 357 L N 4.849 126.054 121.223 -0.030 0.000 2.387 357 L HA 0.403 4.743 4.340 -0.000 0.000 0.266 357 L C 0.448 177.362 176.870 0.074 0.000 1.059 357 L CA -0.788 54.059 54.840 0.011 0.000 0.801 357 L CB 1.074 43.080 42.059 -0.088 0.000 1.223 357 L HN 0.652 nan 8.230 nan 0.000 0.456 361 S N 1.725 117.405 115.700 -0.034 0.000 2.382 361 S HA -0.137 4.333 4.470 -0.000 0.000 0.228 361 S C 1.992 176.533 174.600 -0.099 0.000 1.027 361 S CA 1.725 59.893 58.200 -0.053 0.000 0.991 361 S CB -0.257 62.905 63.200 -0.062 0.000 0.823 361 S HN 0.398 nan 8.310 nan 0.000 0.469 362 Q N 0.702 120.378 119.800 -0.208 0.000 2.084 362 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 362 Q C 1.614 177.256 176.000 -0.596 0.000 0.978 362 Q CA 1.701 57.246 55.803 -0.429 0.000 0.844 362 Q CB -0.458 27.915 28.738 -0.608 0.000 0.898 362 Q HN 0.604 nan 8.270 nan 0.000 0.426 363 F N 0.281 119.993 119.950 -0.396 0.000 2.206 363 F HA -0.152 4.375 4.527 0.000 0.000 0.298 363 F C 1.851 177.369 175.800 -0.470 0.000 1.090 363 F CA 0.889 58.607 58.000 -0.470 0.000 1.323 363 F CB -0.042 38.695 39.000 -0.439 0.000 1.028 363 F HN 0.140 nan 8.300 nan 0.000 0.492 364 D N 0.187 120.531 120.400 -0.093 0.000 2.116 364 D HA -0.256 4.384 4.640 -0.000 0.000 0.193 364 D C 1.988 178.352 176.300 0.106 0.000 0.998 364 D CA 1.433 55.430 54.000 -0.005 0.000 0.836 364 D CB -0.806 40.014 40.800 0.034 0.000 0.951 364 D HN 0.234 nan 8.370 nan 0.000 0.449 365 F N 0.751 120.679 119.950 -0.037 0.000 2.102 365 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 365 F C 2.325 178.250 175.800 0.209 0.000 1.105 365 F CA 1.420 59.451 58.000 0.051 0.000 1.239 365 F CB -0.728 38.275 39.000 0.005 0.000 0.991 365 F HN 0.050 nan 8.300 nan 0.000 0.474 366 Y N -0.684 119.570 120.300 -0.076 0.000 2.181 366 Y HA -0.306 4.244 4.550 -0.000 0.000 0.288 366 Y C 2.753 178.680 175.900 0.045 0.000 1.146 366 Y CA 1.331 59.372 58.100 -0.098 0.000 1.164 366 Y CB -0.830 37.668 38.460 0.064 0.000 0.982 366 Y HN 0.199 nan 8.280 nan 0.000 0.515 367 H N -1.315 117.866 119.070 0.185 0.000 2.421 367 H HA -0.114 4.442 4.556 -0.000 0.000 0.298 367 H C 2.217 177.567 175.328 0.037 0.000 1.087 367 H CA 0.347 56.460 56.048 0.109 0.000 1.330 367 H CB -0.195 29.633 29.762 0.110 0.000 1.388 367 H HN 0.346 nan 8.280 nan 0.000 0.526 368 G N -0.626 108.250 108.800 0.127 0.000 3.026 368 G HA2 0.207 4.167 3.960 -0.000 0.000 0.208 368 G HA3 0.207 4.167 3.960 -0.000 0.000 0.208 368 G C 1.043 175.914 174.900 -0.049 0.000 1.169 368 G CA 0.381 45.504 45.100 0.038 0.000 0.788 368 G HN 0.567 nan 8.290 nan 0.000 0.533 369 G N -0.980 107.764 108.800 -0.094 0.000 2.137 369 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.237 369 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.237 369 G C 1.244 175.980 174.900 -0.273 0.000 1.002 369 G CA 0.395 45.408 45.100 -0.145 0.000 0.702 369 G HN 0.958 nan 8.290 nan 0.000 0.515 370 G N -0.302 108.165 108.800 -0.555 0.000 2.448 370 G HA2 0.145 4.105 3.960 -0.000 0.000 0.219 370 G HA3 0.145 4.105 3.960 -0.000 0.000 0.219 370 G C 0.951 175.504 174.900 -0.578 0.000 1.127 370 G CA 0.657 45.142 45.100 -1.024 0.000 0.766 370 G HN 0.671 nan 8.290 nan 0.000 0.552 371 L N 1.478 122.437 121.223 -0.440 0.000 2.361 371 L HA 0.173 4.513 4.340 -0.000 0.000 0.278 371 L C 0.680 177.437 176.870 -0.187 0.000 1.113 371 L CA -0.659 54.025 54.840 -0.260 0.000 0.849 371 L CB 1.138 42.962 42.059 -0.392 0.000 1.155 371 L HN 0.058 nan 8.230 nan 0.000 0.452 372 D N 1.830 122.165 120.400 -0.109 0.000 2.183 372 D HA -0.016 4.624 4.640 -0.000 0.000 0.203 372 D C 0.291 176.492 176.300 -0.165 0.000 0.969 372 D CA 1.135 55.074 54.000 -0.101 0.000 0.842 372 D CB 0.711 41.486 40.800 -0.042 0.000 0.957 372 D HN 0.229 nan 8.370 nan 0.000 0.484 373 V N 0.362 120.147 119.914 -0.216 0.000 2.969 373 V HA 0.403 4.522 4.120 -0.000 0.000 0.304 373 V C -1.512 174.315 176.094 -0.446 0.000 1.192 373 V CA -0.825 61.261 62.300 -0.356 0.000 0.962 373 V CB 2.036 33.641 31.823 -0.364 0.000 1.045 373 V HN 0.377 nan 8.190 nan 0.000 0.428 374 C N 4.090 123.026 119.300 -0.608 0.000 2.712 374 C HA 0.873 5.333 4.460 -0.000 0.000 0.308 374 C C -1.366 173.171 174.990 -0.755 0.000 1.201 374 C CA -0.958 57.724 59.018 -0.560 0.000 1.554 374 C CB 1.058 28.534 27.740 -0.441 0.000 2.117 374 C HN 0.825 nan 8.230 nan 0.000 0.480 375 Y N 1.740 121.909 120.300 -0.219 0.000 2.326 375 Y HA 0.767 5.317 4.550 -0.000 0.000 0.331 375 Y C -0.029 175.789 175.900 -0.137 0.000 0.962 375 Y CA -0.718 57.271 58.100 -0.185 0.000 1.167 375 Y CB 1.278 39.668 38.460 -0.117 0.000 1.148 375 Y HN 0.617 nan 8.280 nan 0.000 0.463 376 L N 2.280 123.493 121.223 -0.017 0.000 2.401 376 L HA 0.558 4.898 4.340 -0.000 0.000 0.266 376 L C -0.244 176.803 176.870 0.294 0.000 0.991 376 L CA -0.847 54.060 54.840 0.112 0.000 0.818 376 L CB 2.365 44.422 42.059 -0.003 0.000 1.321 376 L HN 0.524 nan 8.230 nan 0.000 0.413 377 S N 1.629 117.494 115.700 0.274 0.000 2.592 377 S HA 0.560 5.030 4.470 -0.000 0.000 0.271 377 S C -0.598 174.186 174.600 0.306 0.000 1.326 377 S CA -0.374 57.926 58.200 0.166 0.000 1.024 377 S CB 0.558 63.785 63.200 0.046 0.000 0.921 377 S HN 0.386 nan 8.310 nan 0.000 0.527 378 F N -1.132 118.904 119.950 0.143 0.000 2.546 378 F HA 0.846 5.373 4.527 -0.000 0.000 0.320 378 F C 0.448 176.156 175.800 -0.152 0.000 1.076 378 F CA -1.309 56.686 58.000 -0.008 0.000 0.928 378 F CB 1.117 40.068 39.000 -0.082 0.000 1.189 378 F HN 0.536 nan 8.300 nan 0.000 0.465 379 A N 1.092 123.871 122.820 -0.068 0.000 1.901 379 A HA 0.344 4.664 4.320 -0.000 0.000 0.210 379 A C 0.183 177.583 177.584 -0.306 0.000 1.208 379 A CA 0.518 52.299 52.037 -0.427 0.000 0.644 379 A CB -0.202 18.350 19.000 -0.747 0.000 0.863 379 A HN 0.830 nan 8.150 nan 0.000 0.454 380 E N -1.183 118.918 120.200 -0.164 0.000 2.356 380 E HA 0.570 4.920 4.350 -0.000 0.000 0.275 380 E C -1.957 174.458 176.600 -0.309 0.000 0.904 380 E CA -0.654 55.647 56.400 -0.167 0.000 0.757 380 E CB 2.719 32.352 29.700 -0.112 0.000 1.232 380 E HN 0.023 nan 8.360 nan 0.000 0.442 381 V N 2.205 121.802 119.914 -0.528 0.000 2.638 381 V HA 0.277 4.397 4.120 -0.000 0.000 0.306 381 V C -0.650 175.172 176.094 -0.452 0.000 1.052 381 V CA -0.809 61.065 62.300 -0.710 0.000 0.885 381 V CB 1.893 32.824 31.823 -1.487 0.000 0.999 381 V HN 0.786 nan 8.190 nan 0.000 0.424 382 D N 2.470 122.662 120.400 -0.346 0.000 2.494 382 D HA 0.225 4.865 4.640 -0.000 0.000 0.259 382 D C 1.047 176.896 176.300 -0.752 0.000 1.109 382 D CA -0.566 53.226 54.000 -0.347 0.000 1.040 382 D CB 0.923 41.617 40.800 -0.176 0.000 1.175 382 D HN 0.541 nan 8.370 nan 0.000 0.584 383 Q N -0.736 118.373 119.800 -1.152 0.000 2.291 383 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 383 Q C 0.627 176.058 176.000 -0.948 0.000 0.976 383 Q CA 1.308 56.110 55.803 -1.668 0.000 0.875 383 Q CB -0.500 27.452 28.738 -1.310 0.000 0.927 383 Q HN 0.552 nan 8.270 nan 0.000 0.450 384 H N -0.532 118.303 119.070 -0.392 0.000 2.539 384 H HA 0.238 4.794 4.556 -0.000 0.000 0.269 384 H C 1.123 176.375 175.328 -0.126 0.000 0.980 384 H CA 0.583 56.509 56.048 -0.203 0.000 1.152 384 H CB 0.893 30.569 29.762 -0.144 0.000 1.407 384 H HN 0.584 nan 8.280 nan 0.000 0.564 385 G N 1.373 110.103 108.800 -0.117 0.000 2.176 385 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.253 385 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.253 385 G C 0.162 175.169 174.900 0.179 0.000 0.979 385 G CA -0.127 44.988 45.100 0.025 0.000 0.641 385 G HN 0.313 nan 8.290 nan 0.000 0.530 386 N N -0.078 118.667 118.700 0.074 0.000 2.441 386 N HA 0.384 5.124 4.740 -0.000 0.000 0.251 386 N C 0.148 175.696 175.510 0.063 0.000 1.242 386 N CA 0.506 53.627 53.050 0.119 0.000 0.898 386 N CB 1.449 39.965 38.487 0.049 0.000 1.100 386 N HN 0.246 nan 8.380 nan 0.000 0.443 387 V N -0.221 119.796 119.914 0.171 0.000 2.656 387 V HA 0.666 4.786 4.120 -0.000 0.000 0.307 387 V C 0.539 176.660 176.094 0.045 0.000 1.051 387 V CA -0.973 61.304 62.300 -0.038 0.000 0.893 387 V CB 1.964 33.598 31.823 -0.315 0.000 0.999 387 V HN 0.742 nan 8.190 nan 0.000 0.426 388 G N 1.838 110.598 108.800 -0.066 0.000 2.416 388 G HA2 0.564 4.524 3.960 -0.000 0.000 0.324 388 G HA3 0.564 4.524 3.960 -0.000 0.000 0.324 388 G C -0.214 174.573 174.900 -0.188 0.000 1.194 388 G CA -0.250 44.803 45.100 -0.078 0.000 0.922 388 G HN 0.536 nan 8.290 nan 0.000 0.467 389 V N 1.872 121.642 119.914 -0.239 0.000 3.221 389 V HA 0.059 4.179 4.120 -0.000 0.000 0.254 389 V C 1.839 177.826 176.094 -0.178 0.000 1.586 389 V CA 0.718 62.843 62.300 -0.291 0.000 1.074 389 V CB -0.138 31.328 31.823 -0.595 0.000 0.912 389 V HN 0.908 nan 8.190 nan 0.000 0.426 390 H N 0.601 119.528 119.070 -0.238 0.000 2.502 390 H HA 0.177 4.733 4.556 -0.000 0.000 0.283 390 H C 0.433 175.633 175.328 -0.214 0.000 1.015 390 H CA 0.415 56.333 56.048 -0.217 0.000 1.298 390 H CB 0.399 29.933 29.762 -0.379 0.000 1.411 390 H HN 0.286 nan 8.280 nan 0.000 0.556 391 K N 0.046 120.030 120.400 -0.694 0.000 2.482 391 K HA 0.390 4.710 4.320 -0.000 0.000 0.251 391 K C -2.062 174.448 176.600 -0.150 0.000 0.936 391 K CA -0.652 55.384 56.287 -0.417 0.000 0.791 391 K CB 2.649 34.824 32.500 -0.541 0.000 1.213 391 K HN 0.091 nan 8.250 nan 0.000 0.428 392 F N 3.284 123.103 119.950 -0.219 0.000 2.588 392 F HA 0.241 4.768 4.527 0.000 0.000 0.318 392 F C -0.426 175.311 175.800 -0.106 0.000 1.155 392 F CA -0.609 57.302 58.000 -0.148 0.000 0.967 392 F CB 1.270 40.206 39.000 -0.107 0.000 1.236 392 F HN 0.616 nan 8.300 nan 0.000 0.455 393 N N 4.063 122.365 118.700 -0.664 0.000 2.735 393 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 393 N C 0.801 176.142 175.510 -0.282 0.000 1.083 393 N CA 1.548 54.267 53.050 -0.551 0.000 0.703 393 N CB -1.270 36.804 38.487 -0.689 0.000 1.005 393 N HN 1.378 nan 8.380 nan 0.000 0.550 394 G N -1.814 106.860 108.800 -0.211 0.000 2.234 394 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.260 394 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.260 394 G C 0.069 174.886 174.900 -0.138 0.000 0.987 394 G CA 0.843 45.849 45.100 -0.156 0.000 0.625 394 G HN 0.373 nan 8.290 nan 0.000 0.532 395 K N 0.683 121.005 120.400 -0.131 0.000 2.205 395 K HA 0.625 4.945 4.320 -0.000 0.000 0.279 395 K C 0.975 177.516 176.600 -0.097 0.000 1.027 395 K CA -0.459 55.775 56.287 -0.089 0.000 0.932 395 K CB 1.387 33.857 32.500 -0.051 0.000 1.032 395 K HN 0.377 nan 8.250 nan 0.000 0.466 399 T N -2.703 112.131 114.554 0.467 0.000 3.033 399 T HA 0.453 4.803 4.350 -0.000 0.000 0.248 399 T C 2.001 176.950 174.700 0.416 0.000 1.040 399 T CA 1.606 63.961 62.100 0.425 0.000 1.133 399 T CB -0.394 68.747 68.868 0.455 0.000 0.895 399 T HN 2.604 nan 8.240 nan 0.000 0.465 400 G N 1.193 110.241 108.800 0.413 0.000 2.574 400 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.286 400 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.286 400 G C 0.909 175.983 174.900 0.290 0.000 1.212 400 G CA 0.142 45.387 45.100 0.241 0.000 0.979 400 G HN 1.192 nan 8.290 nan 0.000 0.557 401 G N -0.517 108.478 108.800 0.326 0.000 3.141 401 G HA2 0.391 4.351 3.960 -0.000 0.000 0.218 401 G HA3 0.391 4.351 3.960 -0.000 0.000 0.218 401 G C 1.256 176.402 174.900 0.410 0.000 1.170 401 G CA 1.031 46.398 45.100 0.446 0.000 0.769 401 G HN 0.704 nan 8.290 nan 0.000 0.546 402 F N 1.249 121.344 119.950 0.242 0.000 2.063 402 F HA -0.181 4.346 4.527 0.000 0.000 0.298 402 F C 2.299 178.245 175.800 0.244 0.000 1.109 402 F CA 1.678 59.816 58.000 0.230 0.000 1.212 402 F CB 0.068 39.216 39.000 0.246 0.000 0.973 402 F HN 0.144 nan 8.300 nan 0.000 0.480 403 I N 0.114 120.974 120.570 0.483 0.000 2.353 403 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 403 I C 1.949 178.183 176.117 0.194 0.000 1.119 403 I CA 1.340 62.840 61.300 0.333 0.000 1.417 403 I CB -0.646 37.538 38.000 0.307 0.000 1.078 403 I HN 0.180 nan 8.210 nan 0.000 0.421 404 D N 1.073 121.624 120.400 0.250 0.000 2.149 404 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 404 D C 2.204 178.706 176.300 0.336 0.000 0.990 404 D CA 1.522 55.739 54.000 0.361 0.000 0.839 404 D CB 0.064 41.213 40.800 0.581 0.000 0.948 404 D HN 0.412 nan 8.370 nan 0.000 0.460 405 I N 0.981 121.672 120.570 0.202 0.000 2.429 405 I HA -0.167 4.003 4.170 -0.000 0.000 0.247 405 I C 2.473 178.506 176.117 -0.141 0.000 1.099 405 I CA 0.679 61.968 61.300 -0.018 0.000 1.422 405 I CB -0.060 37.885 38.000 -0.091 0.000 1.112 405 I HN -0.073 nan 8.210 nan 0.000 0.430 406 S N 1.102 116.690 115.700 -0.187 0.000 2.561 406 S HA 0.117 4.587 4.470 -0.000 0.000 0.225 406 S C 1.954 176.617 174.600 0.104 0.000 0.977 406 S CA 0.490 58.583 58.200 -0.178 0.000 0.926 406 S CB -0.121 62.850 63.200 -0.381 0.000 0.769 406 S HN 0.335 nan 8.310 nan 0.000 0.533 407 A N 2.119 124.985 122.820 0.077 0.000 1.897 407 A HA 0.093 4.413 4.320 -0.000 0.000 0.215 407 A C 2.286 179.888 177.584 0.030 0.000 1.181 407 A CA 1.584 53.663 52.037 0.071 0.000 0.620 407 A CB -0.741 18.276 19.000 0.028 0.000 0.821 407 A HN 0.763 nan 8.150 nan 0.000 0.443 408 T N -4.202 110.352 114.554 0.000 0.000 3.087 408 T HA 0.268 4.618 4.350 -0.000 0.000 0.283 408 T C 0.349 175.007 174.700 -0.071 0.000 0.956 408 T CA 0.344 62.429 62.100 -0.024 0.000 0.894 408 T CB -0.164 68.697 68.868 -0.013 0.000 1.160 408 T HN 0.088 nan 8.240 nan 0.000 0.532 409 S N 2.677 118.308 115.700 -0.115 0.000 2.560 409 S HA 0.220 4.690 4.470 -0.000 0.000 0.284 409 S C 1.233 175.741 174.600 -0.153 0.000 1.327 409 S CA -0.713 57.378 58.200 -0.181 0.000 1.055 409 S CB 0.979 64.018 63.200 -0.268 0.000 0.868 409 S HN 0.207 nan 8.310 nan 0.000 0.506 410 K N 2.106 122.417 120.400 -0.149 0.000 2.097 410 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 410 K C 0.112 176.637 176.600 -0.124 0.000 1.049 410 K CA 1.368 57.588 56.287 -0.112 0.000 0.933 410 K CB -0.038 32.406 32.500 -0.094 0.000 0.717 410 K HN 0.503 nan 8.250 nan 0.000 0.442 411 K N 0.533 120.823 120.400 -0.183 0.000 2.426 411 K HA 0.429 4.749 4.320 -0.000 0.000 0.254 411 K C -0.768 175.626 176.600 -0.343 0.000 0.936 411 K CA -0.325 55.831 56.287 -0.219 0.000 0.801 411 K CB 1.961 34.336 32.500 -0.210 0.000 1.139 411 K HN -0.121 nan 8.250 nan 0.000 0.424 412 I N 4.625 124.965 120.570 -0.382 0.000 2.382 412 I HA 0.306 4.476 4.170 -0.000 0.000 0.286 412 I C -0.552 175.135 176.117 -0.718 0.000 1.002 412 I CA -0.761 60.164 61.300 -0.624 0.000 1.135 412 I CB 1.162 38.755 38.000 -0.677 0.000 1.288 412 I HN 0.353 nan 8.210 nan 0.000 0.448 413 I N 7.024 127.151 120.570 -0.740 0.000 2.371 413 I HA 0.306 4.476 4.170 -0.000 0.000 0.282 413 I C -0.311 175.560 176.117 -0.410 0.000 1.031 413 I CA -0.423 60.586 61.300 -0.485 0.000 1.180 413 I CB 0.072 37.869 38.000 -0.339 0.000 1.336 413 I HN 0.336 nan 8.210 nan 0.000 0.467 414 F N 4.483 124.338 119.950 -0.158 0.000 2.412 414 F HA 0.323 4.850 4.527 0.000 0.000 0.348 414 F C 0.694 176.684 175.800 0.317 0.000 1.102 414 F CA -0.108 57.943 58.000 0.085 0.000 1.196 414 F CB 0.952 39.984 39.000 0.052 0.000 1.144 414 F HN 0.345 nan 8.300 nan 0.000 0.541 415 C N 2.469 122.056 119.300 0.478 0.000 2.441 415 C HA 0.931 5.391 4.460 -0.000 0.000 0.318 415 C C 0.468 175.417 174.990 -0.067 0.000 1.222 415 C CA -0.674 58.507 59.018 0.273 0.000 1.474 415 C CB 0.628 28.448 27.740 0.135 0.000 2.125 415 C HN 1.096 nan 8.230 nan 0.000 0.479 416 G N 1.802 110.522 108.800 -0.134 0.000 2.428 416 G HA2 0.734 4.694 3.960 -0.000 0.000 0.305 416 G HA3 0.734 4.694 3.960 -0.000 0.000 0.305 416 G C -0.907 173.941 174.900 -0.087 0.000 1.260 416 G CA 0.042 44.799 45.100 -0.572 0.000 0.853 416 G HN 0.771 nan 8.290 nan 0.000 0.480 417 T N -1.361 113.164 114.554 -0.049 0.000 2.940 417 T HA 0.557 4.907 4.350 -0.000 0.000 0.288 417 T C 1.109 176.014 174.700 0.342 0.000 1.033 417 T CA -0.464 61.725 62.100 0.148 0.000 1.033 417 T CB 2.048 70.958 68.868 0.070 0.000 1.079 417 T HN 0.584 nan 8.240 nan 0.000 0.496 418 L N 1.355 122.741 121.223 0.271 0.000 2.109 418 L HA 0.168 4.508 4.340 -0.000 0.000 0.207 418 L C 1.247 178.257 176.870 0.235 0.000 1.086 418 L CA 1.533 56.514 54.840 0.235 0.000 0.760 418 L CB -0.291 41.791 42.059 0.038 0.000 0.910 418 L HN 1.106 nan 8.230 nan 0.000 0.437 419 T N -3.339 111.313 114.554 0.162 0.000 2.907 419 T HA 0.839 5.189 4.350 -0.000 0.000 0.290 419 T C -0.541 174.230 174.700 0.118 0.000 1.066 419 T CA -0.339 61.843 62.100 0.137 0.000 1.012 419 T CB 2.034 70.953 68.868 0.086 0.000 1.184 419 T HN 0.164 nan 8.240 nan 0.000 0.522 420 A N -0.717 122.170 122.820 0.112 0.000 2.566 420 A HA 0.970 5.290 4.320 -0.000 0.000 0.292 420 A C 0.281 177.918 177.584 0.088 0.000 1.112 420 A CA -0.527 51.568 52.037 0.097 0.000 0.707 420 A CB 0.935 20.003 19.000 0.114 0.000 1.302 420 A HN 2.522 nan 8.150 nan 0.000 0.409 421 G N 0.023 108.868 108.800 0.075 0.000 2.788 421 G HA2 0.313 4.273 3.960 -0.000 0.000 0.301 421 G HA3 0.313 4.273 3.960 -0.000 0.000 0.301 421 G C 0.232 175.158 174.900 0.043 0.000 1.000 421 G CA 0.360 45.495 45.100 0.059 0.000 1.267 421 G HN 2.168 nan 8.290 nan 0.000 0.578 422 S N -1.737 113.985 115.700 0.037 0.000 3.628 422 S HA -0.242 4.228 4.470 -0.000 0.000 0.373 422 S C 0.636 175.253 174.600 0.029 0.000 0.968 422 S CA 0.930 59.147 58.200 0.029 0.000 1.215 422 S CB -0.928 62.286 63.200 0.023 0.000 0.912 422 S HN 2.103 nan 8.310 nan 0.000 0.495 423 L N 1.673 122.915 121.223 0.033 0.000 2.361 423 L HA 0.452 4.792 4.340 -0.000 0.000 0.278 423 L C 0.117 177.002 176.870 0.026 0.000 1.113 423 L CA 0.756 55.615 54.840 0.032 0.000 0.849 423 L CB 0.430 42.513 42.059 0.040 0.000 1.155 423 L HN 0.181 nan 8.230 nan 0.000 0.452 424 K N 3.836 124.250 120.400 0.023 0.000 2.323 424 K HA 0.571 4.890 4.320 -0.000 0.000 0.259 424 K C -0.759 175.854 176.600 0.022 0.000 0.947 424 K CA -0.632 55.667 56.287 0.020 0.000 0.819 424 K CB 1.918 34.428 32.500 0.017 0.000 1.109 424 K HN 0.674 nan 8.250 nan 0.000 0.429 425 T N 1.720 116.288 114.554 0.023 0.000 2.903 425 T HA 0.345 4.695 4.350 -0.000 0.000 0.299 425 T C -1.985 172.732 174.700 0.029 0.000 1.093 425 T CA -0.762 61.355 62.100 0.029 0.000 1.002 425 T CB 1.220 70.110 68.868 0.037 0.000 1.127 425 T HN 0.754 nan 8.240 nan 0.000 0.488 426 E N 2.591 122.813 120.200 0.036 0.000 2.308 426 E HA 0.527 4.877 4.350 -0.000 0.000 0.275 426 E C -1.545 175.090 176.600 0.059 0.000 0.890 426 E CA -0.954 55.468 56.400 0.037 0.000 0.754 426 E CB 1.406 31.122 29.700 0.026 0.000 1.207 426 E HN 0.364 nan 8.360 nan 0.000 0.426 427 I N 2.318 122.929 120.570 0.070 0.000 2.291 427 I HA 0.513 4.683 4.170 -0.000 0.000 0.290 427 I C -0.440 175.725 176.117 0.080 0.000 1.050 427 I CA -0.011 61.357 61.300 0.114 0.000 1.245 427 I CB 1.265 39.345 38.000 0.132 0.000 1.405 427 I HN 0.675 nan 8.210 nan 0.000 0.478 428 A N 3.688 126.548 122.820 0.067 0.000 2.486 428 A HA 0.690 5.009 4.320 -0.000 0.000 0.300 428 A C -0.195 177.408 177.584 0.032 0.000 1.048 428 A CA -0.525 51.537 52.037 0.043 0.000 0.696 428 A CB 0.886 19.902 19.000 0.026 0.000 1.278 428 A HN 0.606 nan 8.150 nan 0.000 0.405 429 D N 0.796 121.214 120.400 0.030 0.000 2.870 429 D HA -0.140 4.500 4.640 -0.000 0.000 0.228 429 D C 1.008 177.318 176.300 0.017 0.000 1.147 429 D CA 3.037 57.048 54.000 0.018 0.000 0.757 429 D CB -1.314 39.488 40.800 0.002 0.000 1.091 429 D HN 2.202 nan 8.370 nan 0.000 0.429 430 G N -0.966 107.865 108.800 0.051 0.000 2.221 430 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.265 430 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.265 430 G C 0.243 175.121 174.900 -0.038 0.000 1.041 430 G CA 0.957 46.100 45.100 0.071 0.000 0.807 430 G HN 0.496 nan 8.290 nan 0.000 0.502 431 K N -1.102 119.268 120.400 -0.050 0.000 2.512 431 K HA 0.727 5.047 4.320 -0.000 0.000 0.263 431 K C -0.357 176.191 176.600 -0.087 0.000 0.966 431 K CA -0.844 55.324 56.287 -0.199 0.000 0.851 431 K CB 1.507 33.932 32.500 -0.125 0.000 1.395 431 K HN 0.068 nan 8.250 nan 0.000 0.440 432 L N 2.693 123.818 121.223 -0.165 0.000 2.276 432 L HA 0.432 4.771 4.340 -0.000 0.000 0.286 432 L C -0.982 175.883 176.870 -0.009 0.000 1.061 432 L CA -0.425 54.425 54.840 0.018 0.000 0.807 432 L CB 0.972 43.066 42.059 0.059 0.000 1.177 432 L HN 0.657 nan 8.230 nan 0.000 0.429 433 N N 5.290 124.003 118.700 0.021 0.000 2.479 433 N HA 0.325 5.065 4.740 -0.000 0.000 0.261 433 N C -0.771 174.749 175.510 0.016 0.000 0.979 433 N CA -0.443 52.611 53.050 0.008 0.000 0.930 433 N CB 0.967 39.458 38.487 0.007 0.000 1.172 433 N HN 0.464 nan 8.380 nan 0.000 0.499 434 I N 4.345 124.921 120.570 0.010 0.000 2.311 434 I HA 0.040 4.210 4.170 -0.000 0.000 0.297 434 I C 1.270 177.393 176.117 0.010 0.000 1.131 434 I CA -0.388 60.920 61.300 0.013 0.000 1.289 434 I CB 0.543 38.549 38.000 0.010 0.000 1.446 434 I HN 0.397 nan 8.210 nan 0.000 0.524 435 V N 4.555 124.477 119.914 0.013 0.000 2.283 435 V HA -0.166 3.954 4.120 -0.000 0.000 0.243 435 V C 0.881 176.981 176.094 0.010 0.000 1.039 435 V CA 1.400 63.706 62.300 0.011 0.000 1.016 435 V CB -0.443 31.388 31.823 0.012 0.000 0.650 435 V HN 0.825 nan 8.190 nan 0.000 0.449 436 Q N 0.190 119.998 119.800 0.013 0.000 2.292 436 Q HA 0.354 4.694 4.340 -0.000 0.000 0.270 436 Q C -0.816 175.195 176.000 0.018 0.000 1.024 436 Q CA -0.574 55.238 55.803 0.014 0.000 0.768 436 Q CB 1.993 30.740 28.738 0.014 0.000 1.250 436 Q HN 0.402 nan 8.270 nan 0.000 0.447 437 E N 2.138 122.348 120.200 0.017 0.000 2.383 437 E HA 0.351 4.701 4.350 -0.000 0.000 0.264 437 E C -0.269 176.348 176.600 0.027 0.000 1.050 437 E CA 0.307 56.720 56.400 0.021 0.000 0.896 437 E CB 0.915 30.625 29.700 0.016 0.000 0.982 437 E HN 0.697 nan 8.360 nan 0.000 0.424 438 G N 3.232 112.054 108.800 0.036 0.000 2.441 438 G HA2 0.058 4.018 3.960 -0.000 0.000 0.243 438 G HA3 0.058 4.018 3.960 -0.000 0.000 0.243 438 G C 0.457 175.384 174.900 0.045 0.000 1.281 438 G CA -0.209 44.918 45.100 0.046 0.000 0.854 438 G HN 0.729 nan 8.290 nan 0.000 0.560 439 R N 0.607 121.134 120.500 0.045 0.000 2.200 439 R HA 0.099 4.439 4.340 -0.000 0.000 0.208 439 R C 0.088 176.418 176.300 0.050 0.000 1.033 439 R CA 0.110 56.234 56.100 0.039 0.000 1.000 439 R CB -0.051 30.267 30.300 0.031 0.000 0.906 439 R HN 0.259 nan 8.270 nan 0.000 0.462 440 V N 2.280 122.237 119.914 0.071 0.000 2.459 440 V HA 0.228 4.348 4.120 -0.000 0.000 0.295 440 V C -0.263 175.900 176.094 0.115 0.000 1.029 440 V CA -0.981 61.375 62.300 0.093 0.000 0.874 440 V CB 1.890 33.786 31.823 0.121 0.000 0.985 440 V HN 0.143 nan 8.190 nan 0.000 0.438 441 K N 3.448 123.915 120.400 0.111 0.000 2.322 441 K HA 0.323 4.643 4.320 -0.000 0.000 0.283 441 K C 0.430 177.136 176.600 0.176 0.000 1.042 441 K CA -0.250 56.115 56.287 0.130 0.000 0.958 441 K CB 1.299 33.858 32.500 0.098 0.000 0.984 441 K HN 0.532 nan 8.250 nan 0.000 0.473 442 K N 1.377 121.922 120.400 0.242 0.000 2.334 442 K HA 0.108 4.428 4.320 -0.000 0.000 0.195 442 K C -0.267 176.422 176.600 0.148 0.000 1.045 442 K CA 0.303 56.730 56.287 0.234 0.000 1.004 442 K CB 0.330 33.038 32.500 0.346 0.000 0.837 442 K HN 0.322 nan 8.250 nan 0.000 0.510 443 F N 2.473 122.420 119.950 -0.006 0.000 2.335 443 F HA 0.304 4.830 4.527 -0.000 0.000 0.365 443 F C 0.372 176.227 175.800 0.093 0.000 1.122 443 F CA -1.309 56.678 58.000 -0.022 0.000 1.151 443 F CB 0.117 38.967 39.000 -0.250 0.000 1.282 443 F HN -0.080 nan 8.300 nan 0.000 0.513 444 I N -0.111 120.602 120.570 0.239 0.000 3.023 444 I HA 0.595 4.765 4.170 -0.000 0.000 0.312 444 I C 1.158 177.385 176.117 0.183 0.000 1.056 444 I CA -1.115 60.303 61.300 0.196 0.000 1.033 444 I CB 1.590 39.648 38.000 0.096 0.000 1.233 444 I HN 0.247 nan 8.210 nan 0.000 0.462 445 R N 0.589 121.158 120.500 0.115 0.000 2.070 445 R HA 0.058 4.398 4.340 -0.000 0.000 0.233 445 R C -0.112 176.140 176.300 -0.081 0.000 1.137 445 R CA 1.478 57.584 56.100 0.009 0.000 0.945 445 R CB -0.327 29.991 30.300 0.030 0.000 0.845 445 R HN 0.678 nan 8.270 nan 0.000 0.430 446 E N -0.387 119.804 120.200 -0.016 0.000 2.304 446 E HA 0.325 4.675 4.350 -0.000 0.000 0.277 446 E C -1.397 175.208 176.600 0.009 0.000 0.898 446 E CA -0.254 56.152 56.400 0.010 0.000 0.764 446 E CB 1.501 31.220 29.700 0.033 0.000 1.216 446 E HN -0.024 nan 8.360 nan 0.000 0.419 447 L N 5.653 126.881 121.223 0.008 0.000 2.397 447 L HA 0.340 4.680 4.340 -0.000 0.000 0.271 447 L C -1.097 175.779 176.870 0.009 0.000 1.148 447 L CA -1.345 53.498 54.840 0.005 0.000 0.825 447 L CB 0.454 42.516 42.059 0.005 0.000 1.117 447 L HN 0.587 nan 8.230 nan 0.000 0.456 448 P HA -0.025 nan 4.420 nan 0.000 0.217 448 P C -0.091 177.213 177.300 0.007 0.000 1.151 448 P CA 1.111 64.207 63.100 -0.007 0.000 0.828 448 P CB 0.509 32.191 31.700 -0.029 0.000 0.788 449 E N -0.800 119.407 120.200 0.011 0.000 2.340 449 E HA 0.515 4.865 4.350 -0.000 0.000 0.273 449 E C -0.753 175.959 176.600 0.188 0.000 0.891 449 E CA -0.789 55.673 56.400 0.104 0.000 0.757 449 E CB 2.332 32.104 29.700 0.120 0.000 1.231 449 E HN -0.058 nan 8.360 nan 0.000 0.439 450 I N 1.609 122.335 120.570 0.261 0.000 2.354 450 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 450 I C 0.768 177.099 176.117 0.357 0.000 0.989 450 I CA -0.041 61.403 61.300 0.240 0.000 1.188 450 I CB 1.661 39.743 38.000 0.138 0.000 1.342 450 I HN 0.588 nan 8.210 nan 0.000 0.457 451 T N 4.858 119.628 114.554 0.360 0.000 3.015 451 T HA 0.159 4.509 4.350 -0.000 0.000 0.250 451 T C -0.163 174.903 174.700 0.612 0.000 1.057 451 T CA 0.410 62.767 62.100 0.428 0.000 1.066 451 T CB 0.108 69.101 68.868 0.209 0.000 0.959 451 T HN 0.418 nan 8.240 nan 0.000 0.488 452 F N 1.675 121.844 119.950 0.365 0.000 2.573 452 F HA 0.603 5.130 4.527 -0.000 0.000 0.316 452 F C -0.837 175.070 175.800 0.179 0.000 1.148 452 F CA -1.180 57.022 58.000 0.337 0.000 0.940 452 F CB 1.781 41.068 39.000 0.477 0.000 1.214 452 F HN -0.171 nan 8.300 nan 0.000 0.448 453 S N 4.044 119.417 115.700 -0.546 0.000 2.438 453 S HA 0.427 4.897 4.470 -0.000 0.000 0.293 453 S C 1.091 175.216 174.600 -0.793 0.000 1.141 453 S CA 0.128 58.036 58.200 -0.486 0.000 1.080 453 S CB 0.939 63.971 63.200 -0.280 0.000 0.978 453 S HN 1.064 nan 8.310 nan 0.000 0.479 454 G N 4.516 113.085 108.800 -0.384 0.000 2.418 454 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 454 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 454 G C 1.329 176.156 174.900 -0.121 0.000 1.158 454 G CA 0.835 45.851 45.100 -0.139 0.000 0.771 454 G HN 0.728 nan 8.290 nan 0.000 0.545 455 K N 0.067 120.393 120.400 -0.124 0.000 2.032 455 K HA -0.074 4.246 4.320 -0.000 0.000 0.209 455 K C 2.395 178.929 176.600 -0.111 0.000 1.048 455 K CA 1.140 57.371 56.287 -0.093 0.000 0.927 455 K CB -0.202 32.237 32.500 -0.102 0.000 0.712 455 K HN 0.214 nan 8.250 nan 0.000 0.441 456 I N 1.421 121.890 120.570 -0.169 0.000 2.315 456 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 456 I C 2.579 178.619 176.117 -0.129 0.000 1.117 456 I CA 1.313 62.522 61.300 -0.152 0.000 1.404 456 I CB -1.490 36.406 38.000 -0.174 0.000 1.071 456 I HN 0.241 nan 8.210 nan 0.000 0.419 457 A N 1.129 123.845 122.820 -0.174 0.000 1.908 457 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 457 A C 2.403 179.991 177.584 0.007 0.000 1.181 457 A CA 1.390 53.404 52.037 -0.039 0.000 0.627 457 A CB -0.843 18.213 19.000 0.094 0.000 0.818 457 A HN 0.396 nan 8.150 nan 0.000 0.445 458 L N -0.878 120.347 121.223 0.003 0.000 2.093 458 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 458 L C 2.574 179.440 176.870 -0.007 0.000 1.085 458 L CA 1.501 56.349 54.840 0.014 0.000 0.755 458 L CB -0.591 41.481 42.059 0.022 0.000 0.904 458 L HN 0.483 nan 8.230 nan 0.000 0.435 459 E N 0.099 120.282 120.200 -0.027 0.000 2.110 459 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 459 E C 2.054 178.637 176.600 -0.029 0.000 0.988 459 E CA 0.890 57.270 56.400 -0.033 0.000 0.804 459 E CB 0.005 29.675 29.700 -0.050 0.000 0.745 459 E HN 0.427 nan 8.360 nan 0.000 0.458 460 R N -0.412 120.070 120.500 -0.030 0.000 2.313 460 R HA 0.059 4.399 4.340 -0.000 0.000 0.199 460 R C 0.898 177.190 176.300 -0.013 0.000 0.958 460 R CA 0.474 56.559 56.100 -0.024 0.000 1.047 460 R CB 0.399 30.683 30.300 -0.026 0.000 0.955 460 R HN 0.206 nan 8.270 nan 0.000 0.481 461 G N 1.472 110.268 108.800 -0.007 0.000 2.182 461 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 461 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 461 G C -0.058 174.840 174.900 -0.002 0.000 1.042 461 G CA -0.161 44.937 45.100 -0.004 0.000 0.775 461 G HN 0.160 nan 8.290 nan 0.000 0.501 462 L N -0.186 121.043 121.223 0.009 0.000 2.357 462 L HA 0.571 4.910 4.340 -0.000 0.000 0.273 462 L C 0.189 177.067 176.870 0.014 0.000 1.080 462 L CA -1.045 53.799 54.840 0.005 0.000 0.803 462 L CB 1.127 43.199 42.059 0.022 0.000 1.174 462 L HN 0.078 nan 8.230 nan 0.000 0.443 463 D N 1.831 122.220 120.400 -0.019 0.000 2.313 463 D HA 0.352 4.992 4.640 -0.000 0.000 0.239 463 D C -0.986 175.287 176.300 -0.046 0.000 1.142 463 D CA -0.130 53.859 54.000 -0.019 0.000 0.847 463 D CB 1.323 42.101 40.800 -0.037 0.000 1.082 463 D HN 0.100 nan 8.370 nan 0.000 0.480 464 V N 4.877 124.795 119.914 0.006 0.000 2.409 464 V HA 0.488 4.608 4.120 -0.000 0.000 0.291 464 V C 0.272 176.334 176.094 -0.053 0.000 1.020 464 V CA -0.857 61.413 62.300 -0.050 0.000 0.848 464 V CB 1.465 33.366 31.823 0.129 0.000 0.990 464 V HN 0.399 nan 8.190 nan 0.000 0.430 465 R N 3.183 123.568 120.500 -0.193 0.000 2.711 465 R HA 0.667 5.007 4.340 -0.000 0.000 0.284 465 R C -1.859 174.341 176.300 -0.166 0.000 0.968 465 R CA -0.563 55.515 56.100 -0.037 0.000 0.924 465 R CB 1.494 31.799 30.300 0.008 0.000 1.162 465 R HN 0.601 nan 8.270 nan 0.000 0.465 466 Y N 3.721 124.233 120.300 0.353 0.000 2.332 466 Y HA 0.465 5.015 4.550 -0.000 0.000 0.326 466 Y C -0.352 175.838 175.900 0.484 0.000 0.978 466 Y CA -0.687 57.678 58.100 0.442 0.000 1.205 466 Y CB 1.188 39.882 38.460 0.390 0.000 1.131 466 Y HN 0.307 nan 8.280 nan 0.000 0.462 467 I N 4.187 125.073 120.570 0.527 0.000 2.339 467 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 467 I C 0.198 176.568 176.117 0.422 0.000 0.994 467 I CA -0.448 61.074 61.300 0.370 0.000 1.191 467 I CB 1.612 39.732 38.000 0.201 0.000 1.343 467 I HN 0.679 nan 8.210 nan 0.000 0.458 468 T N 0.619 115.385 114.554 0.353 0.000 2.910 468 T HA 0.343 4.693 4.350 -0.000 0.000 0.287 468 T C 0.791 175.579 174.700 0.146 0.000 1.050 468 T CA -0.690 61.583 62.100 0.289 0.000 1.011 468 T CB 1.659 70.738 68.868 0.351 0.000 1.195 468 T HN 0.526 nan 8.240 nan 0.000 0.540 469 E N 0.825 121.091 120.200 0.110 0.000 2.204 469 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 469 E C 1.941 178.612 176.600 0.118 0.000 0.990 469 E CA 1.381 57.828 56.400 0.078 0.000 0.821 469 E CB -0.489 29.251 29.700 0.065 0.000 0.750 469 E HN 0.804 nan 8.360 nan 0.000 0.477 470 R N -0.024 120.534 120.500 0.098 0.000 2.344 470 R HA 0.585 4.925 4.340 -0.000 0.000 0.209 470 R C 0.096 176.403 176.300 0.012 0.000 0.886 470 R CA 0.460 56.601 56.100 0.069 0.000 1.040 470 R CB 0.654 30.975 30.300 0.035 0.000 1.114 470 R HN 0.088 nan 8.270 nan 0.000 0.547 471 A N 0.718 123.536 122.820 -0.002 0.000 2.574 471 A HA 0.607 4.927 4.320 -0.000 0.000 0.297 471 A C -1.439 176.059 177.584 -0.143 0.000 1.062 471 A CA -0.638 51.300 52.037 -0.166 0.000 0.686 471 A CB 2.351 21.164 19.000 -0.312 0.000 1.285 471 A HN 0.001 nan 8.150 nan 0.000 0.403 472 V N 1.433 121.176 119.914 -0.285 0.000 2.604 472 V HA 0.708 4.828 4.120 -0.000 0.000 0.305 472 V C -1.032 174.890 176.094 -0.288 0.000 1.043 472 V CA -0.340 61.901 62.300 -0.099 0.000 0.888 472 V CB 1.293 33.130 31.823 0.024 0.000 0.995 472 V HN 0.745 nan 8.190 nan 0.000 0.429 473 F N 0.893 120.990 119.950 0.244 0.000 2.579 473 F HA 0.768 5.295 4.527 -0.000 0.000 0.324 473 F C 0.435 176.452 175.800 0.361 0.000 1.058 473 F CA -0.659 57.513 58.000 0.286 0.000 0.944 473 F CB 2.486 41.667 39.000 0.302 0.000 1.245 473 F HN 0.307 nan 8.300 nan 0.000 0.477 474 T N 2.402 117.266 114.554 0.517 0.000 2.886 474 T HA 0.420 4.770 4.350 -0.000 0.000 0.292 474 T C -1.365 173.572 174.700 0.395 0.000 1.012 474 T CA -0.517 61.816 62.100 0.389 0.000 0.982 474 T CB 1.726 70.714 68.868 0.201 0.000 1.018 474 T HN 0.415 nan 8.240 nan 0.000 0.451 475 L N 3.792 125.258 121.223 0.406 0.000 2.319 475 L HA 0.562 4.901 4.340 -0.000 0.000 0.280 475 L C -0.154 176.811 176.870 0.157 0.000 1.099 475 L CA 0.555 55.602 54.840 0.344 0.000 0.828 475 L CB -0.080 42.239 42.059 0.434 0.000 1.150 475 L HN 0.543 nan 8.230 nan 0.000 0.442 476 K N 2.664 123.128 120.400 0.108 0.000 2.378 476 K HA 0.364 4.684 4.320 -0.000 0.000 0.244 476 K C 0.573 177.218 176.600 0.075 0.000 1.039 476 K CA -0.826 55.463 56.287 0.004 0.000 0.863 476 K CB 1.381 33.716 32.500 -0.275 0.000 1.326 476 K HN 0.433 nan 8.250 nan 0.000 0.460 477 E N 1.214 121.446 120.200 0.054 0.000 2.209 477 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 477 E C 0.449 177.101 176.600 0.088 0.000 0.993 477 E CA 1.470 57.908 56.400 0.063 0.000 0.819 477 E CB 0.027 29.755 29.700 0.046 0.000 0.745 477 E HN 0.564 nan 8.360 nan 0.000 0.477 478 D N -1.046 119.435 120.400 0.135 0.000 2.388 478 D HA 0.206 4.846 4.640 -0.000 0.000 0.221 478 D C 0.955 177.342 176.300 0.144 0.000 1.133 478 D CA 0.479 54.560 54.000 0.136 0.000 0.831 478 D CB 0.364 41.254 40.800 0.149 0.000 0.962 478 D HN 0.107 nan 8.370 nan 0.000 0.502 479 G N 0.201 109.096 108.800 0.158 0.000 2.409 479 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.421 479 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.421 479 G C -1.126 173.926 174.900 0.254 0.000 1.259 479 G CA -0.702 44.475 45.100 0.128 0.000 1.011 479 G HN 0.204 nan 8.290 nan 0.000 0.497 480 L N 1.535 122.893 121.223 0.224 0.000 2.410 480 L HA 0.283 4.623 4.340 -0.000 0.000 0.273 480 L C 0.591 177.729 176.870 0.447 0.000 1.144 480 L CA -0.164 54.869 54.840 0.322 0.000 0.863 480 L CB 0.350 42.535 42.059 0.210 0.000 1.140 480 L HN 0.508 nan 8.230 nan 0.000 0.463 481 H N 4.014 123.256 119.070 0.286 0.000 2.488 481 H HA 0.180 4.736 4.556 -0.000 0.000 0.322 481 H C -0.390 175.094 175.328 0.260 0.000 1.078 481 H CA -1.030 55.157 56.048 0.230 0.000 1.260 481 H CB 2.348 32.207 29.762 0.161 0.000 1.425 481 H HN 0.329 nan 8.280 nan 0.000 0.471 482 L N 5.835 127.190 121.223 0.220 0.000 2.369 482 L HA 0.087 4.427 4.340 -0.000 0.000 0.279 482 L C 0.794 177.634 176.870 -0.050 0.000 1.108 482 L CA 0.350 55.133 54.840 -0.095 0.000 0.852 482 L CB -0.093 41.861 42.059 -0.175 0.000 1.169 482 L HN 0.675 nan 8.230 nan 0.000 0.452 483 I N 0.136 120.659 120.570 -0.079 0.000 4.139 483 I HA 0.448 4.618 4.170 -0.000 0.000 0.320 483 I C -0.043 176.055 176.117 -0.032 0.000 1.290 483 I CA -0.112 61.188 61.300 -0.000 0.000 1.253 483 I CB 0.242 38.283 38.000 0.069 0.000 1.122 483 I HN 0.518 nan 8.210 nan 0.000 0.421 484 E N 1.867 122.009 120.200 -0.097 0.000 2.356 484 E HA 0.682 5.032 4.350 -0.000 0.000 0.275 484 E C -1.326 175.206 176.600 -0.115 0.000 0.904 484 E CA -0.742 55.621 56.400 -0.062 0.000 0.757 484 E CB 3.092 32.792 29.700 -0.001 0.000 1.232 484 E HN 0.171 nan 8.360 nan 0.000 0.442 485 I N 0.641 121.169 120.570 -0.070 0.000 2.608 485 I HA 0.598 4.768 4.170 -0.000 0.000 0.295 485 I C -0.074 176.019 176.117 -0.042 0.000 1.049 485 I CA -1.293 59.961 61.300 -0.077 0.000 1.063 485 I CB 1.921 39.869 38.000 -0.086 0.000 1.248 485 I HN 0.489 nan 8.210 nan 0.000 0.424 486 A N 6.345 129.148 122.820 -0.029 0.000 2.462 486 A HA 0.458 4.778 4.320 -0.000 0.000 0.243 486 A C -2.256 175.180 177.584 -0.246 0.000 1.076 486 A CA -1.009 50.968 52.037 -0.099 0.000 0.773 486 A CB -0.639 18.360 19.000 -0.000 0.000 1.010 486 A HN 0.525 nan 8.150 nan 0.000 0.493 487 P HA 0.210 nan 4.420 nan 0.000 0.265 487 P C 0.830 177.938 177.300 -0.320 0.000 1.193 487 P CA 1.475 64.361 63.100 -0.357 0.000 0.765 487 P CB 0.761 32.197 31.700 -0.439 0.000 0.823 488 G N 0.946 109.634 108.800 -0.188 0.000 2.175 488 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.244 488 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.244 488 G C -0.211 174.632 174.900 -0.095 0.000 0.982 488 G CA -0.180 44.841 45.100 -0.133 0.000 0.641 488 G HN 0.566 nan 8.290 nan 0.000 0.527 489 V N 0.650 120.506 119.914 -0.097 0.000 2.555 489 V HA 0.588 4.708 4.120 -0.000 0.000 0.302 489 V C -0.295 175.762 176.094 -0.062 0.000 1.038 489 V CA -0.470 61.789 62.300 -0.068 0.000 0.887 489 V CB 1.930 33.717 31.823 -0.061 0.000 0.991 489 V HN 0.347 nan 8.190 nan 0.000 0.434 490 D N 2.821 123.192 120.400 -0.050 0.000 2.249 490 D HA 0.264 4.904 4.640 -0.000 0.000 0.246 490 D C 1.025 177.296 176.300 -0.049 0.000 1.114 490 D CA -0.295 53.677 54.000 -0.046 0.000 0.854 490 D CB 1.245 42.023 40.800 -0.037 0.000 1.132 490 D HN 0.438 nan 8.370 nan 0.000 0.461 491 L N 3.125 124.317 121.223 -0.052 0.000 1.990 491 L HA -0.254 4.086 4.340 -0.000 0.000 0.213 491 L C 1.931 178.770 176.870 -0.051 0.000 1.072 491 L CA 1.788 56.594 54.840 -0.056 0.000 0.755 491 L CB -0.217 41.810 42.059 -0.054 0.000 0.889 491 L HN 0.626 nan 8.230 nan 0.000 0.432 492 Q N 0.499 120.273 119.800 -0.043 0.000 2.016 492 Q HA -0.223 4.117 4.340 -0.000 0.000 0.200 492 Q C 2.123 178.099 176.000 -0.039 0.000 0.978 492 Q CA 2.406 58.185 55.803 -0.039 0.000 0.833 492 Q CB -0.067 28.652 28.738 -0.031 0.000 0.895 492 Q HN 0.593 nan 8.270 nan 0.000 0.427 493 K N -1.326 119.054 120.400 -0.034 0.000 2.243 493 K HA 0.002 4.322 4.320 -0.000 0.000 0.201 493 K C 0.806 177.388 176.600 -0.030 0.000 1.051 493 K CA 1.317 57.586 56.287 -0.029 0.000 0.970 493 K CB 0.164 32.651 32.500 -0.023 0.000 0.755 493 K HN 0.085 nan 8.250 nan 0.000 0.465 494 D N 0.378 120.757 120.400 -0.035 0.000 2.366 494 D HA 0.175 4.815 4.640 -0.000 0.000 0.205 494 D C 1.714 177.989 176.300 -0.043 0.000 1.022 494 D CA 0.511 54.492 54.000 -0.032 0.000 0.868 494 D CB 0.468 41.250 40.800 -0.030 0.000 0.953 494 D HN 0.284 nan 8.370 nan 0.000 0.514 495 I N -0.449 120.087 120.570 -0.057 0.000 3.632 495 I HA 0.008 4.178 4.170 -0.000 0.000 0.246 495 I C 2.095 178.155 176.117 -0.095 0.000 1.125 495 I CA -0.040 61.215 61.300 -0.075 0.000 1.519 495 I CB 0.168 38.121 38.000 -0.078 0.000 1.555 495 I HN -0.206 nan 8.210 nan 0.000 0.452 496 L N 1.057 122.231 121.223 -0.083 0.000 2.083 496 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 496 L C 1.799 178.616 176.870 -0.088 0.000 1.083 496 L CA 1.336 56.120 54.840 -0.094 0.000 0.752 496 L CB -0.652 41.366 42.059 -0.068 0.000 0.899 496 L HN 0.296 nan 8.230 nan 0.000 0.433 497 D N -0.327 120.035 120.400 -0.063 0.000 2.310 497 D HA -0.045 4.595 4.640 -0.000 0.000 0.212 497 D C 0.886 177.159 176.300 -0.046 0.000 0.965 497 D CA 0.941 54.913 54.000 -0.047 0.000 0.879 497 D CB 0.156 40.936 40.800 -0.032 0.000 0.921 497 D HN 0.195 nan 8.370 nan 0.000 0.510 501 F N -0.968 118.970 119.950 -0.021 0.000 2.664 501 F HA 0.727 5.253 4.527 -0.000 0.000 0.317 501 F C -0.656 175.124 175.800 -0.032 0.000 1.108 501 F CA -0.846 57.130 58.000 -0.040 0.000 0.957 501 F CB 1.069 40.024 39.000 -0.075 0.000 1.365 501 F HN -0.363 nan 8.300 nan 0.000 0.475 502 T N 3.353 118.001 114.554 0.155 0.000 2.753 502 T HA 0.433 4.783 4.350 -0.000 0.000 0.297 502 T C -2.478 172.307 174.700 0.142 0.000 0.981 502 T CA -0.963 61.165 62.100 0.047 0.000 0.956 502 T CB 0.653 69.546 68.868 0.042 0.000 0.936 502 T HN 0.447 nan 8.240 nan 0.000 0.463 503 P HA 0.270 nan 4.420 nan 0.000 0.274 503 P C -0.337 176.997 177.300 0.058 0.000 1.231 503 P CA -0.495 62.700 63.100 0.157 0.000 0.790 503 P CB 0.689 32.513 31.700 0.208 0.000 0.951 504 V N 3.331 123.240 119.914 -0.008 0.000 2.585 504 V HA 0.012 4.132 4.120 -0.000 0.000 0.296 504 V C 0.950 176.953 176.094 -0.153 0.000 1.035 504 V CA 0.129 62.318 62.300 -0.184 0.000 1.084 504 V CB -0.120 31.371 31.823 -0.554 0.000 0.953 504 V HN 0.355 nan 8.190 nan 0.000 0.483 505 I N 4.457 124.963 120.570 -0.106 0.000 2.312 505 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 505 I C 0.824 176.907 176.117 -0.057 0.000 1.031 505 I CA 0.408 61.672 61.300 -0.061 0.000 1.293 505 I CB 1.365 39.340 38.000 -0.043 0.000 1.403 505 I HN 0.666 nan 8.210 nan 0.000 0.484 506 S N 8.739 124.434 115.700 -0.007 0.000 2.546 506 S HA 0.128 4.598 4.470 -0.000 0.000 0.290 506 S C -0.948 173.672 174.600 0.035 0.000 1.290 506 S CA -1.042 57.194 58.200 0.060 0.000 1.069 506 S CB 0.677 63.947 63.200 0.117 0.000 0.846 506 S HN 0.471 nan 8.310 nan 0.000 0.495 507 P HA -0.067 nan 4.420 nan 0.000 0.222 507 P C 0.251 177.570 177.300 0.032 0.000 1.147 507 P CA 1.076 64.195 63.100 0.031 0.000 0.790 507 P CB 0.055 31.778 31.700 0.038 0.000 0.780 508 E N -0.305 119.922 120.200 0.045 0.000 2.394 508 E HA 0.096 4.446 4.350 -0.000 0.000 0.191 508 E C 0.446 177.066 176.600 0.033 0.000 1.044 508 E CA -0.573 55.850 56.400 0.039 0.000 0.939 508 E CB -0.150 29.578 29.700 0.047 0.000 1.089 508 E HN 0.108 nan 8.360 nan 0.000 0.456 509 L N 2.769 124.005 121.223 0.023 0.000 2.640 509 L HA -0.041 4.299 4.340 -0.000 0.000 0.280 509 L C 0.015 176.887 176.870 0.004 0.000 1.229 509 L CA 1.453 56.296 54.840 0.006 0.000 0.919 509 L CB -0.109 41.943 42.059 -0.012 0.000 1.168 509 L HN 0.125 nan 8.230 nan 0.000 0.496 510 K N 3.609 124.013 120.400 0.005 0.000 2.480 510 K HA 0.564 4.884 4.320 -0.000 0.000 0.258 510 K C -1.010 175.594 176.600 0.008 0.000 0.990 510 K CA -1.184 55.110 56.287 0.013 0.000 0.857 510 K CB 1.334 33.854 32.500 0.033 0.000 1.384 510 K HN 0.294 nan 8.250 nan 0.000 0.446 514 E N 1.573 121.918 120.200 0.241 0.000 2.097 514 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 514 E C 1.713 178.470 176.600 0.262 0.000 1.000 514 E CA 1.486 58.024 56.400 0.230 0.000 0.804 514 E CB 0.057 29.834 29.700 0.128 0.000 0.740 514 E HN 0.407 nan 8.360 nan 0.000 0.454 515 R N 0.235 120.861 120.500 0.210 0.000 2.152 515 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 515 R C 2.250 178.611 176.300 0.103 0.000 1.117 515 R CA 0.881 57.079 56.100 0.163 0.000 0.981 515 R CB -0.445 29.961 30.300 0.177 0.000 0.870 515 R HN 0.208 nan 8.270 nan 0.000 0.451 516 L N -0.597 120.654 121.223 0.047 0.000 2.131 516 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 516 L C 1.257 177.894 176.870 -0.387 0.000 1.092 516 L CA 1.255 55.924 54.840 -0.284 0.000 0.759 516 L CB -0.175 41.525 42.059 -0.599 0.000 0.903 516 L HN 0.134 nan 8.230 nan 0.000 0.435 517 F N -0.770 119.175 119.950 -0.008 0.000 2.664 517 F HA 0.284 4.811 4.527 -0.000 0.000 0.303 517 F C 0.691 176.490 175.800 -0.000 0.000 1.092 517 F CA -0.208 57.786 58.000 -0.011 0.000 1.305 517 F CB 0.118 39.112 39.000 -0.009 0.000 1.054 517 F HN -0.135 nan 8.300 nan 0.000 0.565 518 I N 0.314 120.958 120.570 0.124 0.000 2.354 518 I HA 0.127 4.297 4.170 -0.000 0.000 0.292 518 I C 0.067 176.210 176.117 0.044 0.000 0.989 518 I CA -0.617 60.734 61.300 0.086 0.000 1.188 518 I CB 1.191 39.243 38.000 0.086 0.000 1.342 518 I HN -0.210 nan 8.210 nan 0.000 0.457 519 D N 6.213 126.635 120.400 0.037 0.000 2.982 519 D HA 0.390 5.030 4.640 -0.000 0.000 0.238 519 D C -0.341 175.971 176.300 0.019 0.000 1.168 519 D CA 0.278 54.289 54.000 0.019 0.000 0.947 519 D CB -0.026 40.785 40.800 0.018 0.000 1.147 519 D HN 0.602 nan 8.370 nan 0.000 0.450 520 A N -0.121 122.713 122.820 0.024 0.000 2.609 520 A HA 0.760 5.080 4.320 -0.000 0.000 0.291 520 A C -0.099 177.505 177.584 0.033 0.000 1.096 520 A CA -0.327 51.726 52.037 0.027 0.000 0.684 520 A CB 0.890 19.909 19.000 0.031 0.000 1.282 520 A HN 0.250 nan 8.150 nan 0.000 0.412 524 F N 2.007 121.972 119.950 0.024 0.000 2.529 524 F HA 0.553 5.080 4.527 0.000 0.000 0.365 524 F C -0.119 175.678 175.800 -0.006 0.000 1.102 524 F CA -0.030 57.971 58.000 0.001 0.000 1.271 524 F CB 1.090 40.127 39.000 0.061 0.000 1.120 524 F HN -0.050 nan 8.300 nan 0.000 0.579 525 V N 7.839 127.241 119.914 -0.853 0.000 2.487 525 V HA 0.247 4.367 4.120 -0.000 0.000 0.298 525 V C -0.033 175.448 176.094 -1.023 0.000 1.028 525 V CA -1.032 60.849 62.300 -0.698 0.000 0.860 525 V CB 1.601 33.221 31.823 -0.338 0.000 0.991 525 V HN 0.658 nan 8.190 nan 0.000 0.427 526 L N 6.923 127.737 121.223 -0.681 0.000 2.455 526 L HA 0.240 4.580 4.340 -0.000 0.000 0.272 526 L C -2.012 174.723 176.870 -0.225 0.000 1.174 526 L CA -1.251 53.361 54.840 -0.380 0.000 0.869 526 L CB 0.903 42.926 42.059 -0.060 0.000 1.130 526 L HN 0.435 nan 8.230 nan 0.000 0.474 527 P HA 0.072 nan 4.420 nan 0.000 0.269 527 P C -0.527 176.747 177.300 -0.044 0.000 1.209 527 P CA -0.388 62.659 63.100 -0.088 0.000 0.776 527 P CB 0.570 32.240 31.700 -0.051 0.000 0.876 528 E N 0.891 121.069 120.200 -0.037 0.000 2.422 528 E HA 0.296 4.646 4.350 -0.000 0.000 0.260 528 E C 0.611 177.210 176.600 -0.001 0.000 1.108 528 E CA 0.058 56.448 56.400 -0.016 0.000 0.943 528 E CB -0.041 29.648 29.700 -0.018 0.000 0.961 528 E HN 0.486 nan 8.360 nan 0.000 0.443 529 A N 0.000 122.826 122.820 0.010 0.000 2.254 529 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 529 A CA 0.000 52.048 52.037 0.018 0.000 0.836 529 A CB 0.000 19.014 19.000 0.024 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486