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 3hxx_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKSTAEIRQA FLDFFHSKGH QVVASSSLVP HNDPTLLFTN AGMNQFKDVF DATA SEQUENCE LGLDKRNYSR ATTSQRCVRA GGKHNDLENV GYTARHHTFF EMLGNFSFGD DATA SEQUENCE YFKLDAILFA WLLLTSEKWF ALPKERLWVT VYESDDEAYE IWEKEVGIPR DATA SEQUENCE ERIIRIGDNK GAPYASDNFW QMGDTGPCGP CTEIFYDHGD HIWGGPPGSP DATA SEQUENCE EEDGDRYIEI WNIVFMQFNR QADGTMEPLP KPSVDTGMGL ERIAAVLQHV DATA SEQUENCE NSNYDIDLFR TLIQAVAKVT GATDLSNKSL RVIADHIRSC AFLIADGVMP DATA SEQUENCE SNENRGYVLR RIIRRAVRHG NMLGAKETFF YKLVGPLIDV MGSAGEDLKR DATA SEQUENCE QQAQVEQVLK TEEEQFARTL ERGLALLDEE LAKLSGDTLD GETAFRLYDT DATA SEQUENCE YGFPVDLTAD VCRERNIKVD EAGFEAAMEE QRRRAREASG F 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.586 174.600 -0.023 0.000 1.055 1 S CA 0.000 58.209 58.200 0.014 0.000 1.107 1 S CB 0.000 63.184 63.200 -0.026 0.000 0.593 2 K N 1.423 121.786 120.400 -0.061 0.000 2.237 2 K HA 0.511 4.845 4.320 0.024 0.000 0.270 2 K C 0.541 177.102 176.600 -0.065 0.000 1.015 2 K CA -0.129 56.126 56.287 -0.054 0.000 0.949 2 K CB 0.886 33.348 32.500 -0.063 0.000 0.976 2 K HN 0.799 nan 8.250 nan 0.000 0.472 3 S N 0.698 116.374 115.700 -0.040 0.000 2.632 3 S HA 0.052 4.536 4.470 0.024 0.000 0.267 3 S C 1.172 175.740 174.600 -0.053 0.000 1.276 3 S CA -0.625 57.550 58.200 -0.041 0.000 0.998 3 S CB 1.344 64.529 63.200 -0.024 0.000 0.953 3 S HN 0.569 nan 8.310 nan 0.000 0.547 4 T N 1.984 116.504 114.554 -0.057 0.000 2.699 4 T HA -0.164 4.200 4.350 0.024 0.000 0.268 4 T C 2.141 176.816 174.700 -0.042 0.000 1.036 4 T CA 1.871 63.933 62.100 -0.063 0.000 1.147 4 T CB -0.982 67.848 68.868 -0.062 0.000 0.862 4 T HN 0.842 nan 8.240 nan 0.000 0.446 5 A N 1.450 124.253 122.820 -0.029 0.000 1.902 5 A HA -0.161 4.173 4.320 0.024 0.000 0.217 5 A C 2.204 179.797 177.584 0.014 0.000 1.181 5 A CA 1.775 53.807 52.037 -0.008 0.000 0.623 5 A CB -0.557 18.439 19.000 -0.008 0.000 0.818 5 A HN 0.597 nan 8.150 nan 0.000 0.443 6 E N -0.514 119.693 120.200 0.012 0.000 2.150 6 E HA -0.110 4.254 4.350 0.024 0.000 0.193 6 E C 1.823 178.466 176.600 0.073 0.000 0.985 6 E CA 1.067 57.491 56.400 0.040 0.000 0.814 6 E CB -0.244 29.471 29.700 0.026 0.000 0.752 6 E HN 0.719 nan 8.360 nan 0.000 0.466 7 I N 0.713 121.299 120.570 0.027 0.000 2.252 7 I HA -0.245 3.939 4.170 0.024 0.000 0.245 7 I C 2.681 178.874 176.117 0.128 0.000 1.102 7 I CA 0.862 62.185 61.300 0.039 0.000 1.385 7 I CB -0.209 37.713 38.000 -0.131 0.000 1.064 7 I HN 0.014 nan 8.210 nan 0.000 0.414 8 R N 0.724 121.259 120.500 0.058 0.000 2.096 8 R HA -0.289 4.065 4.340 0.024 0.000 0.240 8 R C 2.356 178.753 176.300 0.162 0.000 1.139 8 R CA 2.108 58.250 56.100 0.069 0.000 0.952 8 R CB -0.204 30.106 30.300 0.016 0.000 0.854 8 R HN 0.243 nan 8.270 nan 0.000 0.436 9 Q N 0.028 119.912 119.800 0.139 0.000 2.123 9 Q HA 0.001 4.355 4.340 0.024 0.000 0.199 9 Q C 1.795 177.921 176.000 0.209 0.000 0.966 9 Q CA 1.897 57.789 55.803 0.148 0.000 0.845 9 Q CB -0.198 28.601 28.738 0.101 0.000 0.907 9 Q HN 0.445 nan 8.270 nan 0.000 0.439 10 A N -0.375 122.601 122.820 0.259 0.000 1.902 10 A HA -0.150 4.184 4.320 0.024 0.000 0.217 10 A C 1.999 179.768 177.584 0.308 0.000 1.181 10 A CA 1.361 53.604 52.037 0.343 0.000 0.623 10 A CB -0.979 18.295 19.000 0.457 0.000 0.818 10 A HN 0.566 nan 8.150 nan 0.000 0.443 11 F N 0.571 120.622 119.950 0.168 0.000 2.102 11 F HA -0.140 4.400 4.527 0.021 0.000 0.298 11 F C 1.905 177.799 175.800 0.157 0.000 1.105 11 F CA 1.849 59.893 58.000 0.074 0.000 1.239 11 F CB -0.221 38.814 39.000 0.060 0.000 0.991 11 F HN 0.139 nan 8.300 nan 0.000 0.474 12 L N -0.003 121.434 121.223 0.358 0.000 2.046 12 L HA -0.216 4.138 4.340 0.024 0.000 0.208 12 L C 2.103 179.059 176.870 0.144 0.000 1.077 12 L CA 1.361 56.351 54.840 0.250 0.000 0.747 12 L CB -0.834 41.367 42.059 0.237 0.000 0.896 12 L HN 0.113 nan 8.230 nan 0.000 0.432 13 D N -0.305 120.184 120.400 0.148 0.000 2.117 13 D HA -0.205 4.449 4.640 0.024 0.000 0.198 13 D C 1.892 178.247 176.300 0.092 0.000 0.982 13 D CA 1.063 55.159 54.000 0.160 0.000 0.828 13 D CB -0.217 40.711 40.800 0.213 0.000 0.967 13 D HN 0.201 nan 8.370 nan 0.000 0.464 14 F N 0.470 120.258 119.950 -0.269 0.000 2.091 14 F HA -0.248 4.292 4.527 0.021 0.000 0.299 14 F C 1.950 177.277 175.800 -0.789 0.000 1.103 14 F CA 1.471 58.965 58.000 -0.844 0.000 1.228 14 F CB -0.291 37.807 39.000 -1.504 0.000 0.984 14 F HN -0.150 nan 8.300 nan 0.000 0.477 15 F N -0.727 118.950 119.950 -0.456 0.000 2.293 15 F HA -0.033 4.513 4.527 0.032 0.000 0.297 15 F C 2.499 178.113 175.800 -0.310 0.000 1.089 15 F CA 1.534 59.140 58.000 -0.657 0.000 1.377 15 F CB -1.138 37.367 39.000 -0.826 0.000 1.051 15 F HN 0.120 nan 8.300 nan 0.000 0.511 16 H N -0.139 118.902 119.070 -0.048 0.000 2.387 16 H HA -0.141 4.428 4.556 0.022 0.000 0.299 16 H C 2.335 177.636 175.328 -0.044 0.000 1.090 16 H CA 1.834 57.884 56.048 0.003 0.000 1.332 16 H CB -0.104 29.670 29.762 0.021 0.000 1.386 16 H HN 0.149 nan 8.280 nan 0.000 0.516 17 S N -0.528 115.103 115.700 -0.116 0.000 2.481 17 S HA -0.032 4.452 4.470 0.024 0.000 0.231 17 S C 1.249 175.702 174.600 -0.244 0.000 0.996 17 S CA 0.403 58.506 58.200 -0.162 0.000 0.942 17 S CB 0.057 63.218 63.200 -0.066 0.000 0.768 17 S HN 0.277 nan 8.310 nan 0.000 0.520 18 K N 1.227 121.431 120.400 -0.326 0.000 2.675 18 K HA 0.325 4.659 4.320 0.024 0.000 0.213 18 K C 1.058 177.630 176.600 -0.046 0.000 1.074 18 K CA 0.372 56.506 56.287 -0.254 0.000 1.172 18 K CB -0.197 31.962 32.500 -0.570 0.000 0.927 18 K HN 0.533 nan 8.250 nan 0.000 0.471 19 G N 1.399 110.136 108.800 -0.105 0.000 2.162 19 G HA2 -0.269 3.705 3.960 0.024 0.000 0.260 19 G HA3 -0.269 3.705 3.960 0.024 0.000 0.260 19 G C -0.258 174.576 174.900 -0.110 0.000 0.976 19 G CA 0.215 45.245 45.100 -0.117 0.000 0.655 19 G HN 0.505 nan 8.290 nan 0.000 0.533 20 H N -0.237 118.763 119.070 -0.117 0.000 2.525 20 H HA 0.543 5.111 4.556 0.021 0.000 0.339 20 H C 0.513 175.827 175.328 -0.024 0.000 1.109 20 H CA 0.031 56.054 56.048 -0.041 0.000 1.352 20 H CB 1.151 30.902 29.762 -0.017 0.000 1.461 20 H HN 0.368 nan 8.280 nan 0.000 0.533 21 Q N 2.194 122.009 119.800 0.025 0.000 2.293 21 Q HA 0.228 4.582 4.340 0.024 0.000 0.263 21 Q C -1.061 174.925 176.000 -0.022 0.000 1.002 21 Q CA -0.405 55.342 55.803 -0.094 0.000 0.910 21 Q CB 0.473 28.883 28.738 -0.546 0.000 1.185 21 Q HN 0.493 nan 8.270 nan 0.000 0.401 22 V N 5.842 125.801 119.914 0.075 0.000 2.439 22 V HA 0.220 4.355 4.120 0.024 0.000 0.271 22 V C -0.254 175.858 176.094 0.030 0.000 1.040 22 V CA -0.286 62.065 62.300 0.084 0.000 1.002 22 V CB 0.846 32.710 31.823 0.069 0.000 1.000 22 V HN 0.637 nan 8.190 nan 0.000 0.477 23 V N 4.561 124.528 119.914 0.089 0.000 2.555 23 V HA 0.711 4.845 4.120 0.024 0.000 0.302 23 V C 0.523 176.682 176.094 0.107 0.000 1.038 23 V CA -0.790 61.571 62.300 0.102 0.000 0.887 23 V CB 1.824 33.782 31.823 0.226 0.000 0.991 23 V HN 0.964 nan 8.190 nan 0.000 0.434 24 A N 2.857 125.712 122.820 0.059 0.000 2.425 24 A HA 0.471 4.805 4.320 0.024 0.000 0.242 24 A C 0.742 178.335 177.584 0.014 0.000 1.077 24 A CA 0.248 52.307 52.037 0.036 0.000 0.781 24 A CB 0.336 19.348 19.000 0.019 0.000 1.020 24 A HN 1.021 nan 8.150 nan 0.000 0.494 25 S N 0.928 116.631 115.700 0.005 0.000 2.558 25 S HA 0.283 4.768 4.470 0.024 0.000 0.288 25 S C 0.838 175.407 174.600 -0.053 0.000 1.318 25 S CA 0.086 58.268 58.200 -0.030 0.000 1.056 25 S CB -0.228 62.945 63.200 -0.045 0.000 0.853 25 S HN 1.621 nan 8.310 nan 0.000 0.505 26 S N 3.911 119.556 115.700 -0.091 0.000 2.645 26 S HA 0.435 4.920 4.470 0.024 0.000 0.266 26 S C 0.408 174.986 174.600 -0.037 0.000 1.258 26 S CA -0.537 57.612 58.200 -0.084 0.000 0.990 26 S CB 1.023 64.145 63.200 -0.130 0.000 0.967 26 S HN 0.876 nan 8.310 nan 0.000 0.556 27 S N -0.323 115.376 115.700 -0.001 0.000 2.584 27 S HA 0.178 4.662 4.470 0.024 0.000 0.270 27 S C 1.111 175.738 174.600 0.045 0.000 1.346 27 S CA -0.676 57.547 58.200 0.038 0.000 1.018 27 S CB -0.394 62.846 63.200 0.065 0.000 0.899 27 S HN 0.648 nan 8.310 nan 0.000 0.542 28 L N 2.700 123.964 121.223 0.069 0.000 2.376 28 L HA 0.085 4.439 4.340 0.024 0.000 0.219 28 L C 0.121 177.106 176.870 0.192 0.000 1.133 28 L CA 0.256 55.147 54.840 0.085 0.000 0.816 28 L CB -0.111 41.976 42.059 0.048 0.000 0.933 28 L HN 0.400 nan 8.230 nan 0.000 0.449 29 V N 0.868 120.887 119.914 0.174 0.000 2.364 29 V HA 0.217 4.351 4.120 0.024 0.000 0.272 29 V C -2.091 174.082 176.094 0.132 0.000 1.036 29 V CA -1.703 60.714 62.300 0.194 0.000 0.880 29 V CB 0.728 32.647 31.823 0.160 0.000 0.991 29 V HN -0.014 nan 8.190 nan 0.000 0.460 30 P HA 0.044 nan 4.420 nan 0.000 0.262 30 P C 0.613 177.962 177.300 0.082 0.000 1.199 30 P CA 0.280 63.432 63.100 0.086 0.000 0.763 30 P CB 0.433 32.166 31.700 0.055 0.000 0.790 31 H N 4.018 123.094 119.070 0.010 0.000 2.265 31 H HA -0.133 4.409 4.556 -0.023 0.000 0.295 31 H C 0.534 175.865 175.328 0.004 0.000 1.084 31 H CA 1.920 57.970 56.048 0.002 0.000 1.261 31 H CB 0.213 29.966 29.762 -0.015 0.000 1.360 31 H HN 0.234 nan 8.280 nan 0.000 0.487 32 N N 0.906 119.571 118.700 -0.059 0.000 2.703 32 N HA 0.106 4.861 4.740 0.024 0.000 0.283 32 N C -1.929 173.572 175.510 -0.015 0.000 1.851 32 N CA -0.129 52.853 53.050 -0.113 0.000 0.826 32 N CB 0.413 38.852 38.487 -0.080 0.000 1.239 32 N HN 0.363 nan 8.380 nan 0.000 0.495 33 D N 0.603 120.995 120.400 -0.012 0.000 2.479 33 D HA 0.349 5.003 4.640 0.024 0.000 0.246 33 D C -1.869 174.421 176.300 -0.018 0.000 1.336 33 D CA -1.442 52.556 54.000 -0.004 0.000 0.967 33 D CB 2.268 43.078 40.800 0.016 0.000 1.275 33 D HN 0.058 nan 8.370 nan 0.000 0.577 34 P HA -0.059 nan 4.420 nan 0.000 0.219 34 P C 1.156 178.438 177.300 -0.030 0.000 1.146 34 P CA 0.972 64.056 63.100 -0.027 0.000 0.808 34 P CB 0.473 32.160 31.700 -0.022 0.000 0.779 35 T N -0.249 114.292 114.554 -0.022 0.000 2.770 35 T HA -0.056 4.309 4.350 0.024 0.000 0.263 35 T C 0.755 175.435 174.700 -0.034 0.000 1.039 35 T CA 0.481 62.567 62.100 -0.023 0.000 1.142 35 T CB -0.613 68.249 68.868 -0.010 0.000 0.868 35 T HN -0.013 nan 8.240 nan 0.000 0.435 36 L N 2.035 123.242 121.223 -0.028 0.000 2.290 36 L HA 0.397 4.752 4.340 0.024 0.000 0.284 36 L C 0.928 177.747 176.870 -0.085 0.000 1.078 36 L CA -0.275 54.547 54.840 -0.029 0.000 0.815 36 L CB 0.839 42.905 42.059 0.012 0.000 1.162 36 L HN -0.020 nan 8.230 nan 0.000 0.435 37 L N 5.203 126.332 121.223 -0.155 0.000 1.973 37 L HA 0.222 4.577 4.340 0.024 0.000 0.208 37 L C -0.240 176.283 176.870 -0.577 0.000 1.073 37 L CA 1.617 56.210 54.840 -0.412 0.000 0.746 37 L CB -0.081 41.701 42.059 -0.462 0.000 0.891 37 L HN 0.544 nan 8.230 nan 0.000 0.433 38 F N -1.468 118.516 119.950 0.056 0.000 2.588 38 F HA 0.365 4.899 4.527 0.012 0.000 0.314 38 F C 0.353 176.179 175.800 0.043 0.000 1.069 38 F CA -1.294 56.737 58.000 0.052 0.000 0.931 38 F CB 0.690 39.727 39.000 0.061 0.000 1.260 38 F HN -0.420 nan 8.300 nan 0.000 0.465 39 T N 2.052 116.746 114.554 0.233 0.000 2.822 39 T HA 0.048 4.413 4.350 0.024 0.000 0.288 39 T C 0.673 175.418 174.700 0.076 0.000 0.991 39 T CA 0.221 62.388 62.100 0.112 0.000 1.176 39 T CB -0.208 68.688 68.868 0.045 0.000 0.951 39 T HN 0.655 nan 8.240 nan 0.000 0.526 40 N N 0.852 119.609 118.700 0.096 0.000 2.170 40 N HA 0.428 5.182 4.740 0.024 0.000 0.222 40 N C -0.330 175.253 175.510 0.120 0.000 1.218 40 N CA -0.494 52.620 53.050 0.106 0.000 0.889 40 N CB 0.845 39.453 38.487 0.202 0.000 1.083 40 N HN 0.625 nan 8.380 nan 0.000 0.520 41 A N -1.208 121.689 122.820 0.128 0.000 2.612 41 A HA 0.711 5.045 4.320 0.024 0.000 0.293 41 A C 0.866 178.568 177.584 0.196 0.000 1.075 41 A CA -0.460 51.716 52.037 0.233 0.000 0.680 41 A CB 0.602 19.905 19.000 0.505 0.000 1.279 41 A HN 0.022 nan 8.150 nan 0.000 0.411 42 G N 0.328 109.278 108.800 0.251 0.000 2.498 42 G HA2 -0.019 3.956 3.960 0.024 0.000 0.219 42 G HA3 -0.019 3.956 3.960 0.024 0.000 0.219 42 G C 1.174 176.332 174.900 0.430 0.000 1.119 42 G CA 1.734 47.044 45.100 0.352 0.000 0.766 42 G HN 1.158 nan 8.290 nan 0.000 0.552 43 M N -0.117 119.799 119.600 0.527 0.000 2.319 43 M HA 0.176 4.670 4.480 0.024 0.000 0.265 43 M C 1.699 178.228 176.300 0.381 0.000 1.068 43 M CA 1.570 57.240 55.300 0.616 0.000 1.118 43 M CB -0.866 32.132 32.600 0.663 0.000 1.395 43 M HN 0.151 nan 8.290 nan 0.000 0.435 44 N N 1.146 119.981 118.700 0.225 0.000 2.094 44 N HA -0.272 4.482 4.740 0.024 0.000 0.191 44 N C 1.765 177.275 175.510 -0.000 0.000 1.023 44 N CA 1.822 54.946 53.050 0.124 0.000 0.857 44 N CB -0.454 38.084 38.487 0.086 0.000 1.013 44 N HN 0.788 nan 8.380 nan 0.000 0.426 45 Q N -0.032 119.641 119.800 -0.212 0.000 2.369 45 Q HA -0.049 4.305 4.340 0.024 0.000 0.206 45 Q C 0.472 176.171 176.000 -0.502 0.000 0.963 45 Q CA 1.076 56.627 55.803 -0.419 0.000 0.894 45 Q CB -0.064 28.303 28.738 -0.618 0.000 0.965 45 Q HN 0.370 nan 8.270 nan 0.000 0.475 46 F N 0.679 120.604 119.950 -0.041 0.000 2.653 46 F HA 0.337 4.919 4.527 0.092 0.000 0.304 46 F C 1.791 177.603 175.800 0.020 0.000 1.092 46 F CA -0.684 57.226 58.000 -0.151 0.000 1.279 46 F CB 0.189 39.053 39.000 -0.226 0.000 1.044 46 F HN 0.000 nan 8.300 nan 0.000 0.564 47 K N 0.872 121.438 120.400 0.277 0.000 2.059 47 K HA -0.241 4.093 4.320 0.024 0.000 0.212 47 K C 1.133 177.871 176.600 0.229 0.000 1.050 47 K CA 2.315 58.796 56.287 0.324 0.000 0.927 47 K CB -0.129 32.491 32.500 0.199 0.000 0.714 47 K HN 0.093 nan 8.250 nan 0.000 0.447 48 D N -0.083 120.374 120.400 0.094 0.000 2.269 48 D HA -0.068 4.586 4.640 0.024 0.000 0.208 48 D C 1.808 178.094 176.300 -0.025 0.000 0.963 48 D CA 0.512 54.536 54.000 0.040 0.000 0.864 48 D CB 0.203 41.006 40.800 0.004 0.000 0.936 48 D HN 0.062 nan 8.370 nan 0.000 0.505 49 V N 0.325 120.163 119.914 -0.128 0.000 2.379 49 V HA -0.181 3.953 4.120 0.024 0.000 0.245 49 V C 1.963 177.937 176.094 -0.200 0.000 1.044 49 V CA 1.077 63.177 62.300 -0.333 0.000 1.036 49 V CB -0.534 30.796 31.823 -0.822 0.000 0.664 49 V HN 0.068 nan 8.190 nan 0.000 0.453 50 F N -0.089 119.901 119.950 0.067 0.000 2.234 50 F HA -0.061 4.461 4.527 -0.008 0.000 0.299 50 F C 2.077 177.929 175.800 0.086 0.000 1.087 50 F CA 1.170 59.258 58.000 0.146 0.000 1.340 50 F CB -0.599 38.531 39.000 0.216 0.000 1.031 50 F HN 0.049 nan 8.300 nan 0.000 0.500 51 L N -0.977 120.386 121.223 0.234 0.000 2.291 51 L HA 0.058 4.412 4.340 0.024 0.000 0.214 51 L C 1.924 178.842 176.870 0.081 0.000 1.120 51 L CA 1.005 55.932 54.840 0.145 0.000 0.799 51 L CB -0.849 41.280 42.059 0.116 0.000 0.925 51 L HN 0.404 nan 8.230 nan 0.000 0.446 52 G N -0.531 108.294 108.800 0.042 0.000 2.141 52 G HA2 -0.268 3.707 3.960 0.024 0.000 0.242 52 G HA3 -0.268 3.707 3.960 0.024 0.000 0.242 52 G C 0.730 175.620 174.900 -0.015 0.000 0.982 52 G CA 0.305 45.406 45.100 0.002 0.000 0.662 52 G HN 0.299 nan 8.290 nan 0.000 0.527 53 L N -0.430 120.785 121.223 -0.013 0.000 2.307 53 L HA 0.321 4.676 4.340 0.024 0.000 0.211 53 L C 0.986 177.829 176.870 -0.045 0.000 1.099 53 L CA 0.847 55.677 54.840 -0.017 0.000 0.816 53 L CB 0.154 42.214 42.059 0.002 0.000 0.952 53 L HN 0.263 nan 8.230 nan 0.000 0.455 54 D N 0.491 120.845 120.400 -0.077 0.000 2.498 54 D HA 0.361 5.015 4.640 0.024 0.000 0.247 54 D C -0.950 175.243 176.300 -0.179 0.000 1.070 54 D CA -0.636 53.294 54.000 -0.116 0.000 0.842 54 D CB 1.326 42.054 40.800 -0.121 0.000 1.361 54 D HN -0.134 nan 8.370 nan 0.000 0.484 55 K N 2.014 122.306 120.400 -0.180 0.000 2.270 55 K HA 0.695 5.030 4.320 0.024 0.000 0.255 55 K C -0.458 175.967 176.600 -0.292 0.000 0.936 55 K CA -0.902 55.253 56.287 -0.220 0.000 0.809 55 K CB 1.461 33.872 32.500 -0.148 0.000 1.131 55 K HN 0.078 nan 8.250 nan 0.000 0.427 56 R N 1.512 121.761 120.500 -0.417 0.000 2.720 56 R HA 0.286 4.640 4.340 0.024 0.000 0.272 56 R C 0.327 176.341 176.300 -0.477 0.000 0.991 56 R CA -0.910 54.821 56.100 -0.616 0.000 1.010 56 R CB 0.699 30.302 30.300 -1.162 0.000 1.141 56 R HN 0.862 nan 8.270 nan 0.000 0.494 57 N N 0.654 119.084 118.700 -0.449 0.000 2.381 57 N HA -0.124 4.630 4.740 0.024 0.000 0.182 57 N C 0.231 175.695 175.510 -0.076 0.000 1.025 57 N CA 1.086 54.032 53.050 -0.173 0.000 0.888 57 N CB -0.584 37.891 38.487 -0.021 0.000 0.965 57 N HN 0.555 nan 8.380 nan 0.000 0.438 58 Y N -1.451 118.867 120.300 0.029 0.000 2.420 58 Y HA 0.645 5.203 4.550 0.013 0.000 0.334 58 Y C 1.143 177.105 175.900 0.104 0.000 1.094 58 Y CA -1.357 56.776 58.100 0.054 0.000 1.126 58 Y CB 1.107 39.610 38.460 0.071 0.000 1.217 58 Y HN -0.052 nan 8.280 nan 0.000 0.462 59 S N 1.216 117.050 115.700 0.223 0.000 2.524 59 S HA 0.298 4.783 4.470 0.024 0.000 0.215 59 S C 0.041 174.688 174.600 0.079 0.000 0.986 59 S CA -0.478 57.824 58.200 0.170 0.000 0.911 59 S CB -0.293 62.949 63.200 0.070 0.000 0.805 59 S HN 0.810 nan 8.310 nan 0.000 0.501 60 R N -0.022 120.521 120.500 0.071 0.000 2.584 60 R HA 0.869 5.224 4.340 0.024 0.000 0.276 60 R C -1.157 175.132 176.300 -0.017 0.000 1.046 60 R CA -0.831 55.167 56.100 -0.170 0.000 0.906 60 R CB 1.464 31.531 30.300 -0.388 0.000 1.215 60 R HN 0.133 nan 8.270 nan 0.000 0.449 61 A N 0.894 123.713 122.820 -0.001 0.000 2.532 61 A HA 0.869 5.203 4.320 0.024 0.000 0.290 61 A C -1.152 176.600 177.584 0.280 0.000 1.143 61 A CA -0.829 51.271 52.037 0.105 0.000 0.728 61 A CB 2.512 21.519 19.000 0.012 0.000 1.317 61 A HN 0.686 nan 8.150 nan 0.000 0.414 62 T N 0.054 114.774 114.554 0.277 0.000 3.041 62 T HA 0.695 5.059 4.350 0.024 0.000 0.321 62 T C -0.942 173.980 174.700 0.371 0.000 1.184 62 T CA 0.399 62.665 62.100 0.277 0.000 1.050 62 T CB 1.262 70.151 68.868 0.035 0.000 1.159 62 T HN 1.964 nan 8.240 nan 0.000 0.469 63 T N 0.324 115.165 114.554 0.478 0.000 2.868 63 T HA 0.704 5.068 4.350 0.024 0.000 0.306 63 T C -0.914 173.931 174.700 0.242 0.000 1.224 63 T CA -0.790 61.526 62.100 0.359 0.000 1.012 63 T CB 1.816 70.919 68.868 0.392 0.000 1.221 63 T HN 0.526 nan 8.240 nan 0.000 0.499 64 S N 1.198 116.968 115.700 0.115 0.000 2.532 64 S HA 0.427 4.911 4.470 0.024 0.000 0.318 64 S C -0.647 173.923 174.600 -0.052 0.000 1.083 64 S CA -0.534 57.655 58.200 -0.017 0.000 1.131 64 S CB 0.414 63.590 63.200 -0.040 0.000 0.973 64 S HN 0.779 nan 8.310 nan 0.000 0.468 65 Q N 4.199 123.951 119.800 -0.080 0.000 2.274 65 Q HA 0.336 4.690 4.340 0.024 0.000 0.256 65 Q C 0.081 175.892 176.000 -0.315 0.000 0.927 65 Q CA -0.558 55.166 55.803 -0.132 0.000 0.939 65 Q CB 0.679 29.382 28.738 -0.058 0.000 1.201 65 Q HN 0.758 nan 8.270 nan 0.000 0.426 66 R N 2.219 122.510 120.500 -0.348 0.000 2.347 66 R HA 0.492 4.846 4.340 0.024 0.000 0.304 66 R C -0.914 175.005 176.300 -0.634 0.000 1.072 66 R CA -0.400 55.327 56.100 -0.622 0.000 0.980 66 R CB 0.141 30.146 30.300 -0.491 0.000 0.986 66 R HN 0.527 nan 8.270 nan 0.000 0.448 67 C N 2.632 121.346 119.300 -0.978 0.000 2.634 67 C HA 0.628 5.102 4.460 0.024 0.000 0.313 67 C C -0.409 174.216 174.990 -0.609 0.000 1.198 67 C CA -0.740 57.821 59.018 -0.762 0.000 1.605 67 C CB 1.915 28.992 27.740 -1.104 0.000 2.196 67 C HN 0.692 nan 8.230 nan 0.000 0.486 68 V N 2.705 122.507 119.914 -0.187 0.000 2.483 68 V HA 0.510 4.644 4.120 0.024 0.000 0.297 68 V C -0.318 175.906 176.094 0.217 0.000 1.027 68 V CA -0.494 61.825 62.300 0.032 0.000 0.855 68 V CB 1.629 33.422 31.823 -0.051 0.000 0.995 68 V HN 0.834 nan 8.190 nan 0.000 0.424 69 R N 3.754 124.437 120.500 0.306 0.000 2.335 69 R HA 0.669 5.024 4.340 0.024 0.000 0.302 69 R C 0.189 176.648 176.300 0.266 0.000 1.147 69 R CA -0.138 56.154 56.100 0.320 0.000 1.111 69 R CB 1.427 31.947 30.300 0.366 0.000 1.122 69 R HN 0.789 nan 8.270 nan 0.000 0.557 70 A N 1.146 124.128 122.820 0.271 0.000 2.630 70 A HA 0.496 4.830 4.320 0.024 0.000 0.287 70 A C 0.165 177.857 177.584 0.181 0.000 1.040 70 A CA -0.106 52.059 52.037 0.214 0.000 0.971 70 A CB 1.042 20.169 19.000 0.211 0.000 1.241 70 A HN 0.697 nan 8.150 nan 0.000 0.558 71 G N -2.683 106.214 108.800 0.162 0.000 2.368 71 G HA2 0.595 4.569 3.960 0.024 0.000 0.293 71 G HA3 0.595 4.569 3.960 0.024 0.000 0.293 71 G C 0.432 175.366 174.900 0.057 0.000 1.467 71 G CA 0.615 45.766 45.100 0.086 0.000 0.804 71 G HN 1.851 nan 8.290 nan 0.000 0.535 72 G N 0.524 109.332 108.800 0.014 0.000 2.561 72 G HA2 -0.201 3.773 3.960 0.024 0.000 0.289 72 G HA3 -0.201 3.773 3.960 0.024 0.000 0.289 72 G C 1.385 176.260 174.900 -0.043 0.000 1.169 72 G CA 1.184 46.275 45.100 -0.014 0.000 0.980 72 G HN 1.228 nan 8.290 nan 0.000 0.550 73 K N 0.946 121.298 120.400 -0.080 0.000 2.002 73 K HA -0.045 4.289 4.320 0.024 0.000 0.209 73 K C 1.040 177.406 176.600 -0.390 0.000 1.048 73 K CA 1.841 57.975 56.287 -0.255 0.000 0.930 73 K CB -0.466 31.855 32.500 -0.298 0.000 0.714 73 K HN 0.685 nan 8.250 nan 0.000 0.438 74 H N 0.374 119.471 119.070 0.045 0.000 2.718 74 H HA 0.205 4.772 4.556 0.018 0.000 0.295 74 H C -0.776 174.605 175.328 0.088 0.000 1.051 74 H CA -0.662 55.428 56.048 0.071 0.000 1.260 74 H CB 0.650 30.479 29.762 0.111 0.000 1.403 74 H HN 0.019 nan 8.280 nan 0.000 0.488 75 N N 2.665 121.446 118.700 0.134 0.000 2.518 75 N HA 0.066 4.820 4.740 0.024 0.000 0.254 75 N C -0.191 175.364 175.510 0.075 0.000 0.979 75 N CA -0.346 52.770 53.050 0.111 0.000 0.930 75 N CB 0.958 39.485 38.487 0.066 0.000 1.152 75 N HN 0.438 nan 8.380 nan 0.000 0.505 76 D N 2.985 123.444 120.400 0.097 0.000 2.395 76 D HA -0.015 4.640 4.640 0.024 0.000 0.213 76 D C 1.670 178.020 176.300 0.083 0.000 1.110 76 D CA -0.172 53.844 54.000 0.027 0.000 0.835 76 D CB 0.688 41.507 40.800 0.032 0.000 0.965 76 D HN 0.408 nan 8.370 nan 0.000 0.505 77 L N 1.532 122.823 121.223 0.113 0.000 2.043 77 L HA -0.185 4.170 4.340 0.024 0.000 0.212 77 L C 1.633 178.595 176.870 0.153 0.000 1.075 77 L CA 1.901 56.825 54.840 0.140 0.000 0.752 77 L CB -0.134 41.981 42.059 0.094 0.000 0.891 77 L HN -0.127 nan 8.230 nan 0.000 0.432 78 E N -0.813 119.445 120.200 0.097 0.000 2.489 78 E HA -0.003 4.361 4.350 0.024 0.000 0.193 78 E C 1.395 178.065 176.600 0.117 0.000 1.057 78 E CA 0.180 56.638 56.400 0.097 0.000 0.866 78 E CB -0.319 29.393 29.700 0.020 0.000 0.916 78 E HN 0.610 nan 8.360 nan 0.000 0.500 79 N N 0.301 119.057 118.700 0.094 0.000 2.405 79 N HA -0.011 4.743 4.740 0.024 0.000 0.175 79 N C 0.381 176.027 175.510 0.227 0.000 1.051 79 N CA 0.108 53.228 53.050 0.116 0.000 0.899 79 N CB 0.616 39.033 38.487 -0.117 0.000 1.000 79 N HN -0.048 nan 8.380 nan 0.000 0.451 80 V N 1.127 121.171 119.914 0.216 0.000 2.493 80 V HA 0.217 4.351 4.120 0.024 0.000 0.292 80 V C 1.458 177.548 176.094 -0.007 0.000 1.016 80 V CA 1.004 63.412 62.300 0.179 0.000 1.097 80 V CB 0.152 32.128 31.823 0.255 0.000 0.947 80 V HN 0.614 nan 8.190 nan 0.000 0.479 81 G N 4.156 112.845 108.800 -0.185 0.000 2.195 81 G HA2 -0.318 3.656 3.960 0.024 0.000 0.246 81 G HA3 -0.318 3.656 3.960 0.024 0.000 0.246 81 G C 0.325 174.905 174.900 -0.533 0.000 0.984 81 G CA 0.592 45.402 45.100 -0.483 0.000 0.633 81 G HN 0.711 nan 8.290 nan 0.000 0.525 82 Y N 0.929 121.191 120.300 -0.063 0.000 2.581 82 Y HA 0.341 4.904 4.550 0.023 0.000 0.271 82 Y C 2.030 177.932 175.900 0.003 0.000 1.100 82 Y CA 1.066 59.147 58.100 -0.032 0.000 1.281 82 Y CB 0.392 38.844 38.460 -0.012 0.000 1.237 82 Y HN 0.463 nan 8.280 nan 0.000 0.514 83 T N -2.547 112.118 114.554 0.184 0.000 2.952 83 T HA 0.656 5.021 4.350 0.024 0.000 0.286 83 T C 1.095 175.847 174.700 0.086 0.000 1.024 83 T CA -0.285 61.908 62.100 0.155 0.000 1.029 83 T CB 1.997 71.029 68.868 0.275 0.000 1.094 83 T HN 0.082 nan 8.240 nan 0.000 0.515 84 A N 0.747 123.582 122.820 0.025 0.000 2.169 84 A HA 0.163 4.497 4.320 0.024 0.000 0.212 84 A C 2.083 179.590 177.584 -0.127 0.000 1.153 84 A CA 0.582 52.611 52.037 -0.013 0.000 0.756 84 A CB -0.500 18.456 19.000 -0.074 0.000 0.813 84 A HN 0.914 nan 8.150 nan 0.000 0.471 85 R N -1.554 118.807 120.500 -0.232 0.000 2.509 85 R HA 0.259 4.613 4.340 0.024 0.000 0.297 85 R C -0.736 175.142 176.300 -0.704 0.000 0.951 85 R CA -0.266 55.556 56.100 -0.464 0.000 1.103 85 R CB -0.135 29.893 30.300 -0.454 0.000 1.283 85 R HN 0.481 nan 8.270 nan 0.000 0.534 86 H N 0.946 119.808 119.070 -0.347 0.000 2.466 86 H HA 0.449 5.018 4.556 0.022 0.000 0.338 86 H C -0.637 174.464 175.328 -0.378 0.000 1.091 86 H CA -0.710 55.137 56.048 -0.335 0.000 1.207 86 H CB 1.097 30.802 29.762 -0.095 0.000 1.466 86 H HN 0.105 nan 8.280 nan 0.000 0.493 87 H N 0.199 119.345 119.070 0.126 0.000 2.797 87 H HA 0.150 4.719 4.556 0.022 0.000 0.362 87 H C 0.788 176.299 175.328 0.305 0.000 1.183 87 H CA -0.360 55.831 56.048 0.239 0.000 1.197 87 H CB 1.630 31.554 29.762 0.270 0.000 1.835 87 H HN 0.763 nan 8.280 nan 0.000 0.567 88 T N -1.340 113.511 114.554 0.495 0.000 2.706 88 T HA -0.031 4.333 4.350 0.024 0.000 0.255 88 T C 0.863 175.843 174.700 0.467 0.000 1.048 88 T CA 0.343 62.684 62.100 0.402 0.000 1.153 88 T CB -0.235 68.807 68.868 0.290 0.000 0.865 88 T HN 0.313 nan 8.240 nan 0.000 0.414 89 F N 3.476 123.613 119.950 0.312 0.000 2.410 89 F HA 0.528 5.072 4.527 0.028 0.000 0.348 89 F C -0.757 175.232 175.800 0.315 0.000 1.106 89 F CA -1.825 56.295 58.000 0.200 0.000 1.163 89 F CB 0.618 39.675 39.000 0.096 0.000 1.129 89 F HN 0.365 nan 8.300 nan 0.000 0.516 90 F N 2.190 121.823 119.950 -0.529 0.000 2.741 90 F HA 0.546 5.092 4.527 0.033 0.000 0.313 90 F C -1.839 173.626 175.800 -0.559 0.000 1.153 90 F CA -1.254 56.556 58.000 -0.315 0.000 0.931 90 F CB 1.122 40.145 39.000 0.039 0.000 1.335 90 F HN 0.339 nan 8.300 nan 0.000 0.460 91 E N 2.268 122.311 120.200 -0.262 0.000 2.151 91 E HA 0.383 4.747 4.350 0.024 0.000 0.275 91 E C -1.258 175.250 176.600 -0.154 0.000 0.936 91 E CA -0.896 55.298 56.400 -0.344 0.000 0.777 91 E CB 2.199 31.770 29.700 -0.214 0.000 1.108 91 E HN 0.678 nan 8.360 nan 0.000 0.401 92 M N 4.815 124.261 119.600 -0.256 0.000 2.088 92 M HA 0.296 4.791 4.480 0.024 0.000 0.346 92 M C -1.396 174.765 176.300 -0.231 0.000 1.111 92 M CA -0.619 54.607 55.300 -0.124 0.000 1.017 92 M CB 0.436 33.011 32.600 -0.041 0.000 1.568 92 M HN 0.404 nan 8.290 nan 0.000 0.445 93 L N 4.927 125.877 121.223 -0.455 0.000 2.319 93 L HA 0.636 4.990 4.340 0.024 0.000 0.280 93 L C 0.532 177.036 176.870 -0.610 0.000 1.099 93 L CA -0.447 53.881 54.840 -0.852 0.000 0.828 93 L CB 0.680 41.636 42.059 -1.839 0.000 1.150 93 L HN 0.802 nan 8.230 nan 0.000 0.442 94 G N 2.609 111.307 108.800 -0.169 0.000 2.620 94 G HA2 0.482 4.456 3.960 0.024 0.000 0.301 94 G HA3 0.482 4.456 3.960 0.024 0.000 0.301 94 G C -1.444 173.264 174.900 -0.320 0.000 1.347 94 G CA -0.662 44.310 45.100 -0.213 0.000 0.971 94 G HN 0.625 nan 8.290 nan 0.000 0.488 95 N N -0.019 118.236 118.700 -0.741 0.000 2.269 95 N HA 0.659 5.414 4.740 0.024 0.000 0.304 95 N C -1.725 173.242 175.510 -0.905 0.000 1.072 95 N CA -0.601 51.898 53.050 -0.919 0.000 0.802 95 N CB 2.386 39.911 38.487 -1.603 0.000 1.348 95 N HN 0.233 nan 8.380 nan 0.000 0.484 96 F N -0.191 119.644 119.950 -0.192 0.000 2.556 96 F HA 0.392 4.953 4.527 0.056 0.000 0.314 96 F C 0.404 175.797 175.800 -0.678 0.000 1.106 96 F CA -0.937 56.830 58.000 -0.388 0.000 0.911 96 F CB 2.296 40.914 39.000 -0.637 0.000 1.190 96 F HN 0.455 nan 8.300 nan 0.000 0.448 97 S N 3.475 118.864 115.700 -0.518 0.000 2.530 97 S HA 0.600 5.084 4.470 0.024 0.000 0.322 97 S C -1.090 173.214 174.600 -0.494 0.000 1.085 97 S CA -0.483 57.305 58.200 -0.688 0.000 1.096 97 S CB -0.076 62.501 63.200 -1.039 0.000 0.988 97 S HN 0.460 nan 8.310 nan 0.000 0.466 98 F N 3.662 123.531 119.950 -0.135 0.000 2.384 98 F HA 0.463 5.006 4.527 0.025 0.000 0.359 98 F C 1.571 177.308 175.800 -0.105 0.000 1.143 98 F CA -0.344 57.561 58.000 -0.159 0.000 1.216 98 F CB 0.587 39.422 39.000 -0.275 0.000 1.512 98 F HN 0.886 nan 8.300 nan 0.000 0.573 99 G N 1.059 109.886 108.800 0.045 0.000 2.198 99 G HA2 -0.288 3.686 3.960 0.024 0.000 0.260 99 G HA3 -0.288 3.686 3.960 0.024 0.000 0.260 99 G C 0.076 174.955 174.900 -0.034 0.000 1.025 99 G CA 0.469 45.560 45.100 -0.015 0.000 0.769 99 G HN 0.557 nan 8.290 nan 0.000 0.507 100 D N -0.593 119.765 120.400 -0.071 0.000 2.871 100 D HA 0.361 5.015 4.640 0.024 0.000 0.223 100 D C 1.335 177.639 176.300 0.006 0.000 1.225 100 D CA -0.143 53.841 54.000 -0.027 0.000 1.188 100 D CB 0.117 40.898 40.800 -0.031 0.000 1.105 100 D HN 0.358 nan 8.370 nan 0.000 0.444 101 Y N -0.171 120.182 120.300 0.087 0.000 2.652 101 Y HA 0.299 4.865 4.550 0.026 0.000 0.344 101 Y C 0.000 176.040 175.900 0.233 0.000 1.254 101 Y CA -0.685 57.489 58.100 0.122 0.000 1.480 101 Y CB 0.180 38.716 38.460 0.127 0.000 1.345 101 Y HN 0.140 nan 8.280 nan 0.000 0.617 102 F N 1.134 121.134 119.950 0.083 0.000 3.168 102 F HA 0.420 4.959 4.527 0.020 0.000 0.237 102 F C 1.435 177.229 175.800 -0.011 0.000 1.560 102 F CA -1.462 56.527 58.000 -0.018 0.000 0.948 102 F CB 0.271 39.215 39.000 -0.094 0.000 1.885 102 F HN 0.496 nan 8.300 nan 0.000 0.360 103 K N 0.243 120.236 120.400 -0.678 0.000 2.009 103 K HA -0.159 4.175 4.320 0.024 0.000 0.210 103 K C 1.749 178.115 176.600 -0.390 0.000 1.049 103 K CA 2.007 57.746 56.287 -0.913 0.000 0.929 103 K CB -0.660 31.080 32.500 -1.267 0.000 0.714 103 K HN 0.324 nan 8.250 nan 0.000 0.440 104 L N 1.841 122.889 121.223 -0.292 0.000 1.994 104 L HA -0.191 4.163 4.340 0.024 0.000 0.208 104 L C 1.608 178.325 176.870 -0.255 0.000 1.071 104 L CA 1.983 56.661 54.840 -0.269 0.000 0.745 104 L CB -0.450 41.483 42.059 -0.210 0.000 0.892 104 L HN 0.135 nan 8.230 nan 0.000 0.431 105 D N -0.421 119.866 120.400 -0.188 0.000 2.219 105 D HA -0.081 4.574 4.640 0.024 0.000 0.205 105 D C 2.138 178.258 176.300 -0.301 0.000 0.970 105 D CA 1.221 55.001 54.000 -0.366 0.000 0.851 105 D CB 0.068 40.635 40.800 -0.389 0.000 0.943 105 D HN 0.517 nan 8.370 nan 0.000 0.488 106 A N 0.997 123.892 122.820 0.124 0.000 1.858 106 A HA -0.150 4.185 4.320 0.024 0.000 0.216 106 A C 2.351 179.951 177.584 0.027 0.000 1.190 106 A CA 0.896 53.109 52.037 0.293 0.000 0.617 106 A CB -0.729 18.488 19.000 0.361 0.000 0.827 106 A HN 0.176 nan 8.150 nan 0.000 0.443 107 I N -0.279 120.205 120.570 -0.144 0.000 2.286 107 I HA -0.249 3.936 4.170 0.024 0.000 0.248 107 I C 2.338 178.280 176.117 -0.291 0.000 1.115 107 I CA 0.997 62.074 61.300 -0.372 0.000 1.392 107 I CB -0.247 37.280 38.000 -0.789 0.000 1.065 107 I HN 0.312 nan 8.210 nan 0.000 0.418 108 L N -0.557 120.506 121.223 -0.265 0.000 2.056 108 L HA -0.186 4.168 4.340 0.024 0.000 0.207 108 L C 2.523 179.378 176.870 -0.025 0.000 1.078 108 L CA 1.459 56.199 54.840 -0.168 0.000 0.749 108 L CB -0.662 41.227 42.059 -0.282 0.000 0.901 108 L HN 0.147 nan 8.230 nan 0.000 0.433 109 F N 0.264 120.190 119.950 -0.041 0.000 2.091 109 F HA -0.326 4.216 4.527 0.024 0.000 0.299 109 F C 2.684 178.447 175.800 -0.062 0.000 1.103 109 F CA 0.914 58.929 58.000 0.025 0.000 1.228 109 F CB -0.304 38.779 39.000 0.137 0.000 0.984 109 F HN 0.084 nan 8.300 nan 0.000 0.477 110 A N -0.112 122.718 122.820 0.016 0.000 1.873 110 A HA -0.248 4.087 4.320 0.024 0.000 0.215 110 A C 2.099 179.689 177.584 0.009 0.000 1.186 110 A CA 1.251 53.071 52.037 -0.362 0.000 0.616 110 A CB -1.429 17.055 19.000 -0.861 0.000 0.823 110 A HN 0.714 nan 8.150 nan 0.000 0.442 111 W N 0.125 121.395 121.300 -0.050 0.000 2.358 111 W HA -0.164 4.509 4.660 0.022 0.000 0.303 111 W C 1.786 178.322 176.519 0.028 0.000 1.208 111 W CA 1.630 59.013 57.345 0.063 0.000 1.274 111 W CB -0.210 29.303 29.460 0.088 0.000 1.138 111 W HN 0.355 nan 8.180 nan 0.000 0.515 112 L N 1.095 122.372 121.223 0.090 0.000 1.989 112 L HA -0.248 4.106 4.340 0.024 0.000 0.211 112 L C 2.594 179.332 176.870 -0.221 0.000 1.071 112 L CA 1.929 56.774 54.840 0.008 0.000 0.749 112 L CB -1.525 40.624 42.059 0.150 0.000 0.890 112 L HN 0.018 nan 8.230 nan 0.000 0.431 113 L N -0.805 120.055 121.223 -0.605 0.000 2.012 113 L HA -0.229 4.125 4.340 0.024 0.000 0.210 113 L C 2.279 178.815 176.870 -0.557 0.000 1.073 113 L CA 1.937 56.097 54.840 -1.134 0.000 0.748 113 L CB -0.687 40.410 42.059 -1.605 0.000 0.891 113 L HN 0.304 nan 8.230 nan 0.000 0.431 114 L N -1.254 119.843 121.223 -0.210 0.000 2.109 114 L HA -0.117 4.237 4.340 0.024 0.000 0.207 114 L C 2.103 178.913 176.870 -0.100 0.000 1.086 114 L CA 1.705 56.541 54.840 -0.006 0.000 0.760 114 L CB -0.830 41.271 42.059 0.070 0.000 0.910 114 L HN 0.556 nan 8.230 nan 0.000 0.437 115 T N -5.933 108.445 114.554 -0.293 0.000 2.975 115 T HA 0.068 4.432 4.350 0.024 0.000 0.257 115 T C 0.923 175.542 174.700 -0.134 0.000 1.003 115 T CA -0.121 61.781 62.100 -0.330 0.000 0.932 115 T CB 0.222 68.613 68.868 -0.795 0.000 1.087 115 T HN 0.046 nan 8.240 nan 0.000 0.512 116 S N 1.303 116.982 115.700 -0.035 0.000 2.549 116 S HA 0.099 4.583 4.470 0.024 0.000 0.283 116 S C 1.338 175.992 174.600 0.089 0.000 1.320 116 S CA -0.426 57.828 58.200 0.089 0.000 1.058 116 S CB 0.530 63.896 63.200 0.277 0.000 0.882 116 S HN 0.294 nan 8.310 nan 0.000 0.498 117 E N 3.910 124.139 120.200 0.048 0.000 2.204 117 E HA -0.093 4.271 4.350 0.024 0.000 0.195 117 E C 1.493 178.072 176.600 -0.035 0.000 0.990 117 E CA 1.138 57.547 56.400 0.016 0.000 0.821 117 E CB -0.047 29.656 29.700 0.006 0.000 0.750 117 E HN 0.676 nan 8.360 nan 0.000 0.477 118 K N -1.131 119.221 120.400 -0.080 0.000 2.366 118 K HA -0.077 4.257 4.320 0.024 0.000 0.198 118 K C 0.854 177.085 176.600 -0.616 0.000 1.044 118 K CA 0.716 56.799 56.287 -0.340 0.000 0.973 118 K CB 0.189 32.461 32.500 -0.381 0.000 0.767 118 K HN 0.062 nan 8.250 nan 0.000 0.475 119 W N -1.489 119.804 121.300 -0.012 0.000 3.875 119 W HA 0.227 4.904 4.660 0.027 0.000 0.638 119 W C 1.089 177.658 176.519 0.082 0.000 2.902 119 W CA -0.860 56.451 57.345 -0.057 0.000 1.043 119 W CB -0.642 28.653 29.460 -0.275 0.000 2.656 119 W HN -0.312 nan 8.180 nan 0.000 0.526 120 F N 1.190 121.255 119.950 0.192 0.000 2.365 120 F HA 0.126 4.666 4.527 0.022 0.000 0.300 120 F C 1.981 177.784 175.800 0.006 0.000 1.090 120 F CA 0.921 58.950 58.000 0.048 0.000 1.408 120 F CB -1.680 37.311 39.000 -0.014 0.000 1.060 120 F HN 0.284 nan 8.300 nan 0.000 0.534 121 A N 0.301 123.229 122.820 0.180 0.000 2.799 121 A HA -0.264 4.070 4.320 0.024 0.000 0.287 121 A C 0.476 178.094 177.584 0.057 0.000 1.484 121 A CA 0.301 52.387 52.037 0.082 0.000 0.813 121 A CB -2.578 16.467 19.000 0.075 0.000 1.009 121 A HN 0.295 nan 8.150 nan 0.000 0.545 122 L N 0.619 121.870 121.223 0.047 0.000 2.456 122 L HA 0.313 4.668 4.340 0.024 0.000 0.272 122 L C -1.366 175.517 176.870 0.021 0.000 1.189 122 L CA -1.596 53.270 54.840 0.043 0.000 0.846 122 L CB 0.212 42.296 42.059 0.041 0.000 1.111 122 L HN 0.262 nan 8.230 nan 0.000 0.475 123 P HA 0.081 nan 4.420 nan 0.000 0.271 123 P C -0.440 176.893 177.300 0.056 0.000 1.220 123 P CA -0.257 62.880 63.100 0.062 0.000 0.768 123 P CB 0.782 32.533 31.700 0.086 0.000 0.848 124 K N 2.096 122.523 120.400 0.046 0.000 2.211 124 K HA -0.117 4.217 4.320 0.024 0.000 0.203 124 K C 1.614 178.295 176.600 0.135 0.000 1.050 124 K CA 1.149 57.508 56.287 0.120 0.000 0.945 124 K CB 0.043 32.696 32.500 0.255 0.000 0.732 124 K HN 0.552 nan 8.250 nan 0.000 0.451 125 E N 1.089 121.331 120.200 0.070 0.000 2.409 125 E HA -0.159 4.205 4.350 0.024 0.000 0.198 125 E C 1.332 177.940 176.600 0.013 0.000 1.024 125 E CA 0.799 57.208 56.400 0.015 0.000 0.861 125 E CB -0.099 29.609 29.700 0.013 0.000 0.788 125 E HN 0.331 nan 8.360 nan 0.000 0.521 126 R N 0.379 120.902 120.500 0.039 0.000 2.312 126 R HA 0.304 4.658 4.340 0.024 0.000 0.205 126 R C 0.562 176.936 176.300 0.124 0.000 0.904 126 R CA -0.036 56.049 56.100 -0.025 0.000 1.052 126 R CB 0.380 30.533 30.300 -0.244 0.000 1.014 126 R HN 0.092 nan 8.270 nan 0.000 0.503 127 L N 0.707 122.054 121.223 0.206 0.000 2.307 127 L HA 0.357 4.711 4.340 0.024 0.000 0.282 127 L C -0.915 176.106 176.870 0.251 0.000 1.051 127 L CA -0.662 54.382 54.840 0.340 0.000 0.804 127 L CB 0.860 43.132 42.059 0.355 0.000 1.197 127 L HN -0.106 nan 8.230 nan 0.000 0.431 128 W N 2.548 123.936 121.300 0.147 0.000 2.864 128 W HA 0.681 5.354 4.660 0.023 0.000 0.343 128 W C -0.609 175.902 176.519 -0.014 0.000 1.109 128 W CA -0.727 56.642 57.345 0.041 0.000 1.192 128 W CB 1.857 31.353 29.460 0.060 0.000 1.426 128 W HN 0.203 nan 8.180 nan 0.000 0.529 129 V N -0.591 119.312 119.914 -0.019 0.000 2.962 129 V HA 0.957 5.092 4.120 0.024 0.000 0.313 129 V C -0.440 175.592 176.094 -0.103 0.000 1.099 129 V CA -0.954 61.221 62.300 -0.209 0.000 0.971 129 V CB 1.341 32.537 31.823 -1.045 0.000 1.028 129 V HN 0.613 nan 8.190 nan 0.000 0.430 130 T N 0.704 115.274 114.554 0.027 0.000 2.908 130 T HA 0.877 5.241 4.350 0.024 0.000 0.290 130 T C -0.363 174.433 174.700 0.160 0.000 1.034 130 T CA -0.215 61.936 62.100 0.085 0.000 1.010 130 T CB 1.498 70.448 68.868 0.138 0.000 1.068 130 T HN 2.101 nan 8.240 nan 0.000 0.481 131 V N -0.038 120.008 119.914 0.221 0.000 3.040 131 V HA 0.667 4.801 4.120 0.024 0.000 0.312 131 V C -0.845 175.470 176.094 0.368 0.000 1.115 131 V CA -1.508 60.988 62.300 0.327 0.000 0.998 131 V CB 1.416 33.471 31.823 0.387 0.000 1.042 131 V HN 0.914 nan 8.190 nan 0.000 0.433 132 Y N 1.406 121.859 120.300 0.255 0.000 2.620 132 Y HA 0.168 4.735 4.550 0.028 0.000 0.330 132 Y C 1.682 177.710 175.900 0.212 0.000 1.186 132 Y CA 0.565 58.817 58.100 0.253 0.000 1.467 132 Y CB 0.898 39.552 38.460 0.323 0.000 1.262 132 Y HN 1.051 nan 8.280 nan 0.000 0.550 133 E N 1.901 122.039 120.200 -0.104 0.000 2.114 133 E HA -0.251 4.113 4.350 0.024 0.000 0.199 133 E C 1.688 178.209 176.600 -0.132 0.000 1.008 133 E CA 2.001 58.326 56.400 -0.125 0.000 0.810 133 E CB 0.074 29.660 29.700 -0.191 0.000 0.739 133 E HN 0.731 nan 8.360 nan 0.000 0.456 134 S N -0.277 115.271 115.700 -0.253 0.000 2.593 134 S HA -0.038 4.446 4.470 0.024 0.000 0.217 134 S C 0.679 175.325 174.600 0.078 0.000 0.966 134 S CA 0.060 58.206 58.200 -0.091 0.000 0.914 134 S CB 0.335 63.469 63.200 -0.110 0.000 0.776 134 S HN 0.093 nan 8.310 nan 0.000 0.523 135 D N 2.537 123.040 120.400 0.173 0.000 2.551 135 D HA 0.159 4.813 4.640 0.024 0.000 0.223 135 D C 0.070 176.485 176.300 0.192 0.000 1.144 135 D CA -0.118 54.030 54.000 0.247 0.000 1.025 135 D CB 0.015 41.041 40.800 0.377 0.000 1.085 135 D HN 0.150 nan 8.370 nan 0.000 0.506 136 D N 1.513 121.985 120.400 0.121 0.000 2.219 136 D HA -0.131 4.523 4.640 0.024 0.000 0.205 136 D C 1.462 177.837 176.300 0.124 0.000 0.970 136 D CA 0.784 54.843 54.000 0.097 0.000 0.851 136 D CB 0.431 41.252 40.800 0.033 0.000 0.943 136 D HN 0.602 nan 8.370 nan 0.000 0.488 137 E N 0.876 121.122 120.200 0.076 0.000 2.047 137 E HA -0.095 4.269 4.350 0.024 0.000 0.191 137 E C 2.170 178.761 176.600 -0.014 0.000 0.987 137 E CA 0.940 57.344 56.400 0.007 0.000 0.799 137 E CB -0.022 29.643 29.700 -0.058 0.000 0.752 137 E HN 0.162 nan 8.360 nan 0.000 0.449 138 A N 0.891 123.729 122.820 0.030 0.000 1.902 138 A HA -0.224 4.110 4.320 0.024 0.000 0.217 138 A C 2.038 179.741 177.584 0.198 0.000 1.181 138 A CA 1.381 53.462 52.037 0.074 0.000 0.623 138 A CB -0.891 18.296 19.000 0.311 0.000 0.818 138 A HN 0.389 nan 8.150 nan 0.000 0.443 139 Y N 0.471 120.873 120.300 0.170 0.000 2.114 139 Y HA -0.279 4.285 4.550 0.023 0.000 0.282 139 Y C 2.420 178.383 175.900 0.105 0.000 1.165 139 Y CA 2.469 60.674 58.100 0.175 0.000 1.148 139 Y CB -0.140 38.385 38.460 0.109 0.000 0.972 139 Y HN 0.358 nan 8.280 nan 0.000 0.504 140 E N 0.287 120.636 120.200 0.249 0.000 2.106 140 E HA -0.164 4.200 4.350 0.024 0.000 0.192 140 E C 2.118 178.700 176.600 -0.031 0.000 0.984 140 E CA 1.511 57.984 56.400 0.121 0.000 0.806 140 E CB -0.374 29.377 29.700 0.085 0.000 0.750 140 E HN 0.603 nan 8.360 nan 0.000 0.458 141 I N -0.929 119.575 120.570 -0.111 0.000 2.127 141 I HA -0.280 3.905 4.170 0.024 0.000 0.241 141 I C 1.917 177.860 176.117 -0.290 0.000 1.075 141 I CA 1.325 62.471 61.300 -0.257 0.000 1.334 141 I CB -0.373 37.385 38.000 -0.404 0.000 1.040 141 I HN 0.247 nan 8.210 nan 0.000 0.405 142 W N 0.971 122.132 121.300 -0.232 0.000 2.338 142 W HA -0.229 4.444 4.660 0.021 0.000 0.304 142 W C 2.674 178.978 176.519 -0.358 0.000 1.212 142 W CA 1.330 58.475 57.345 -0.334 0.000 1.264 142 W CB -0.169 29.088 29.460 -0.338 0.000 1.142 142 W HN 0.200 nan 8.180 nan 0.000 0.512 143 E N 0.472 120.610 120.200 -0.103 0.000 2.051 143 E HA -0.163 4.201 4.350 0.024 0.000 0.189 143 E C 1.718 178.262 176.600 -0.093 0.000 0.979 143 E CA 1.123 57.438 56.400 -0.141 0.000 0.803 143 E CB 0.013 29.623 29.700 -0.150 0.000 0.761 143 E HN 0.247 nan 8.360 nan 0.000 0.451 144 K N -0.654 119.698 120.400 -0.080 0.000 2.365 144 K HA 0.092 4.427 4.320 0.024 0.000 0.195 144 K C 1.869 178.414 176.600 -0.091 0.000 1.079 144 K CA 0.087 56.334 56.287 -0.066 0.000 0.979 144 K CB 0.509 32.987 32.500 -0.037 0.000 0.929 144 K HN -0.022 nan 8.250 nan 0.000 0.523 145 E N 0.617 120.737 120.200 -0.134 0.000 2.166 145 E HA -0.010 4.354 4.350 0.024 0.000 0.192 145 E C 1.972 178.459 176.600 -0.188 0.000 0.967 145 E CA 0.836 57.142 56.400 -0.158 0.000 0.840 145 E CB 0.449 30.030 29.700 -0.199 0.000 0.795 145 E HN -0.014 nan 8.360 nan 0.000 0.470 146 V N -0.372 119.390 119.914 -0.254 0.000 2.795 146 V HA 0.135 4.269 4.120 0.024 0.000 0.243 146 V C 1.441 177.378 176.094 -0.261 0.000 1.069 146 V CA 1.100 63.185 62.300 -0.358 0.000 1.089 146 V CB 0.175 31.646 31.823 -0.586 0.000 0.756 146 V HN 0.438 nan 8.190 nan 0.000 0.471 147 G N 0.854 109.541 108.800 -0.189 0.000 2.130 147 G HA2 -0.175 3.800 3.960 0.024 0.000 0.216 147 G HA3 -0.175 3.800 3.960 0.024 0.000 0.216 147 G C 0.004 174.822 174.900 -0.137 0.000 0.999 147 G CA -0.220 44.807 45.100 -0.123 0.000 0.686 147 G HN 0.313 nan 8.290 nan 0.000 0.515 148 I N 1.993 122.442 120.570 -0.201 0.000 2.668 148 I HA 0.145 4.329 4.170 0.024 0.000 0.285 148 I C -1.209 174.796 176.117 -0.187 0.000 1.168 148 I CA -1.709 59.458 61.300 -0.221 0.000 1.424 148 I CB -0.241 37.580 38.000 -0.298 0.000 1.377 148 I HN 0.017 nan 8.210 nan 0.000 0.560 149 P HA 0.108 nan 4.420 nan 0.000 0.267 149 P C 0.558 177.754 177.300 -0.173 0.000 1.200 149 P CA -0.187 62.824 63.100 -0.148 0.000 0.772 149 P CB 0.528 32.140 31.700 -0.147 0.000 0.855 150 R N 1.858 122.294 120.500 -0.107 0.000 2.159 150 R HA -0.148 4.206 4.340 0.024 0.000 0.237 150 R C 2.006 178.267 176.300 -0.064 0.000 1.131 150 R CA 1.335 57.399 56.100 -0.060 0.000 0.982 150 R CB -0.281 30.045 30.300 0.045 0.000 0.868 150 R HN 0.629 nan 8.270 nan 0.000 0.453 151 E N 1.077 121.215 120.200 -0.103 0.000 2.268 151 E HA -0.185 4.179 4.350 0.024 0.000 0.195 151 E C 1.141 177.620 176.600 -0.202 0.000 0.995 151 E CA 1.043 57.383 56.400 -0.101 0.000 0.836 151 E CB -0.053 29.590 29.700 -0.095 0.000 0.763 151 E HN 0.329 nan 8.360 nan 0.000 0.491 152 R N 0.549 120.824 120.500 -0.375 0.000 2.427 152 R HA 0.383 4.737 4.340 0.024 0.000 0.262 152 R C 0.183 176.331 176.300 -0.253 0.000 0.943 152 R CA -0.091 55.663 56.100 -0.576 0.000 1.081 152 R CB 0.475 30.201 30.300 -0.958 0.000 1.166 152 R HN 0.148 nan 8.270 nan 0.000 0.534 153 I N 1.683 122.147 120.570 -0.178 0.000 2.355 153 I HA 0.340 4.524 4.170 0.024 0.000 0.288 153 I C -0.305 175.824 176.117 0.021 0.000 0.999 153 I CA -0.586 60.617 61.300 -0.162 0.000 1.163 153 I CB 1.622 39.413 38.000 -0.350 0.000 1.316 153 I HN -0.156 nan 8.210 nan 0.000 0.454 154 I N 6.345 126.938 120.570 0.038 0.000 2.389 154 I HA 0.396 4.580 4.170 0.024 0.000 0.288 154 I C 0.047 176.230 176.117 0.111 0.000 0.999 154 I CA -0.608 60.733 61.300 0.069 0.000 1.129 154 I CB 1.379 39.378 38.000 -0.002 0.000 1.288 154 I HN 0.464 nan 8.210 nan 0.000 0.444 155 R N 6.536 127.114 120.500 0.131 0.000 2.308 155 R HA 0.558 4.913 4.340 0.024 0.000 0.305 155 R C -0.821 175.532 176.300 0.090 0.000 1.053 155 R CA -0.451 55.727 56.100 0.130 0.000 0.957 155 R CB 1.126 31.475 30.300 0.082 0.000 1.022 155 R HN 0.455 nan 8.270 nan 0.000 0.461 156 I N 2.539 123.190 120.570 0.135 0.000 2.418 156 I HA 0.280 4.464 4.170 0.024 0.000 0.287 156 I C 0.832 177.053 176.117 0.172 0.000 1.008 156 I CA -0.275 61.112 61.300 0.144 0.000 1.104 156 I CB 1.492 39.603 38.000 0.186 0.000 1.264 156 I HN 0.744 nan 8.210 nan 0.000 0.438 157 G N 4.714 113.567 108.800 0.090 0.000 2.630 157 G HA2 0.169 4.143 3.960 0.024 0.000 0.223 157 G HA3 0.169 4.143 3.960 0.024 0.000 0.223 157 G C -0.228 174.779 174.900 0.178 0.000 1.434 157 G CA -0.277 44.843 45.100 0.034 0.000 1.057 157 G HN 0.539 nan 8.290 nan 0.000 0.570 158 D N 1.227 121.693 120.400 0.110 0.000 2.600 158 D HA 0.024 4.678 4.640 0.024 0.000 0.226 158 D C 1.083 177.435 176.300 0.087 0.000 1.119 158 D CA -0.092 53.984 54.000 0.127 0.000 1.051 158 D CB 0.085 40.905 40.800 0.033 0.000 1.106 158 D HN 0.417 nan 8.370 nan 0.000 0.491 159 N N 0.369 119.138 118.700 0.115 0.000 2.461 159 N HA -0.120 4.634 4.740 0.024 0.000 0.188 159 N C 0.619 176.174 175.510 0.074 0.000 1.134 159 N CA 0.201 53.300 53.050 0.081 0.000 0.878 159 N CB 0.273 38.811 38.487 0.086 0.000 0.972 159 N HN 0.048 nan 8.380 nan 0.000 0.456 160 K N 0.201 120.650 120.400 0.082 0.000 2.437 160 K HA 0.202 4.537 4.320 0.024 0.000 0.205 160 K C 0.451 177.078 176.600 0.044 0.000 1.026 160 K CA 0.223 56.550 56.287 0.066 0.000 1.153 160 K CB 0.122 32.670 32.500 0.080 0.000 0.863 160 K HN 0.312 nan 8.250 nan 0.000 0.502 161 G N 1.541 110.361 108.800 0.034 0.000 2.256 161 G HA2 -0.145 3.829 3.960 0.024 0.000 0.272 161 G HA3 -0.145 3.829 3.960 0.024 0.000 0.272 161 G C -0.064 174.841 174.900 0.008 0.000 1.076 161 G CA 0.232 45.342 45.100 0.017 0.000 0.882 161 G HN 0.594 nan 8.290 nan 0.000 0.497 162 A N -1.063 121.760 122.820 0.004 0.000 2.569 162 A HA 0.780 5.114 4.320 0.024 0.000 0.292 162 A C -3.101 174.462 177.584 -0.035 0.000 1.032 162 A CA -0.707 51.324 52.037 -0.010 0.000 0.669 162 A CB 0.839 19.841 19.000 0.005 0.000 1.290 162 A HN 0.273 nan 8.150 nan 0.000 0.422 163 P HA 0.357 nan 4.420 nan 0.000 0.263 163 P C -0.479 176.737 177.300 -0.140 0.000 1.195 163 P CA 1.235 64.216 63.100 -0.198 0.000 0.762 163 P CB -0.242 31.349 31.700 -0.182 0.000 0.799 164 Y N 0.292 120.490 120.300 -0.171 0.000 4.929 164 Y HA -0.270 4.297 4.550 0.028 0.000 0.253 164 Y C 0.904 176.685 175.900 -0.198 0.000 0.946 164 Y CA 0.810 58.639 58.100 -0.452 0.000 1.905 164 Y CB -2.492 35.493 38.460 -0.791 0.000 1.400 164 Y HN 0.456 nan 8.280 nan 0.000 0.531 165 A N 0.965 123.824 122.820 0.066 0.000 2.666 165 A HA 0.652 4.987 4.320 0.024 0.000 0.312 165 A C 0.456 178.131 177.584 0.152 0.000 1.471 165 A CA 0.673 52.773 52.037 0.105 0.000 1.134 165 A CB 0.427 19.466 19.000 0.065 0.000 1.129 165 A HN 0.425 nan 8.150 nan 0.000 0.539 166 S N 1.010 116.841 115.700 0.217 0.000 2.550 166 S HA 0.379 4.863 4.470 0.024 0.000 0.270 166 S C -0.182 174.577 174.600 0.265 0.000 1.145 166 S CA -0.570 57.788 58.200 0.265 0.000 0.852 166 S CB 1.242 64.683 63.200 0.403 0.000 1.119 166 S HN 0.493 nan 8.310 nan 0.000 0.465 167 D N 2.068 122.619 120.400 0.252 0.000 2.310 167 D HA 0.031 4.685 4.640 0.024 0.000 0.212 167 D C 0.408 176.877 176.300 0.282 0.000 0.965 167 D CA 1.039 55.195 54.000 0.260 0.000 0.879 167 D CB -0.117 40.825 40.800 0.236 0.000 0.921 167 D HN 0.529 nan 8.370 nan 0.000 0.510 168 N N -0.807 118.072 118.700 0.298 0.000 2.275 168 N HA 0.126 4.880 4.740 0.024 0.000 0.236 168 N C -0.984 174.576 175.510 0.083 0.000 1.154 168 N CA -0.206 53.002 53.050 0.263 0.000 0.866 168 N CB 0.486 39.198 38.487 0.376 0.000 1.093 168 N HN -0.032 nan 8.380 nan 0.000 0.515 169 F N 0.293 120.200 119.950 -0.072 0.000 2.499 169 F HA 0.392 4.934 4.527 0.025 0.000 0.333 169 F C -1.265 174.607 175.800 0.120 0.000 1.138 169 F CA -1.197 56.720 58.000 -0.138 0.000 0.945 169 F CB 0.831 39.662 39.000 -0.282 0.000 1.181 169 F HN -0.015 nan 8.300 nan 0.000 0.435 170 W N 8.022 129.150 121.300 -0.286 0.000 2.349 170 W HA 0.502 5.162 4.660 0.001 0.000 0.309 170 W C -1.265 175.216 176.519 -0.064 0.000 1.083 170 W CA -0.379 56.910 57.345 -0.092 0.000 1.224 170 W CB 1.118 30.502 29.460 -0.127 0.000 1.256 170 W HN 0.550 nan 8.180 nan 0.000 0.461 171 Q N 5.307 124.897 119.800 -0.350 0.000 2.309 171 Q HA 0.227 4.581 4.340 0.024 0.000 0.254 171 Q C 0.014 175.735 176.000 -0.466 0.000 0.938 171 Q CA -0.812 54.800 55.803 -0.317 0.000 0.789 171 Q CB 1.565 30.313 28.738 0.017 0.000 1.313 171 Q HN 0.341 nan 8.270 nan 0.000 0.438 172 M N 0.920 120.145 119.600 -0.626 0.000 2.476 172 M HA 0.158 4.652 4.480 0.024 0.000 0.262 172 M C 0.669 176.888 176.300 -0.135 0.000 1.079 172 M CA 0.978 56.053 55.300 -0.375 0.000 1.104 172 M CB -0.358 32.040 32.600 -0.337 0.000 1.409 172 M HN 0.840 nan 8.290 nan 0.000 0.467 173 G N -1.381 107.352 108.800 -0.111 0.000 2.766 173 G HA2 0.382 4.356 3.960 0.024 0.000 0.288 173 G HA3 0.382 4.356 3.960 0.024 0.000 0.288 173 G C -0.339 174.537 174.900 -0.039 0.000 1.408 173 G CA -0.493 44.574 45.100 -0.055 0.000 0.852 173 G HN 0.019 nan 8.290 nan 0.000 0.487 174 D N -0.410 119.975 120.400 -0.024 0.000 2.264 174 D HA 0.038 4.692 4.640 0.024 0.000 0.208 174 D C 1.609 177.911 176.300 0.003 0.000 0.966 174 D CA 1.709 55.702 54.000 -0.011 0.000 0.864 174 D CB 0.220 41.013 40.800 -0.011 0.000 0.933 174 D HN 0.541 nan 8.370 nan 0.000 0.499 175 T N -3.332 111.228 114.554 0.009 0.000 2.887 175 T HA 0.652 5.016 4.350 0.024 0.000 0.292 175 T C 0.374 175.096 174.700 0.036 0.000 1.087 175 T CA -0.233 61.882 62.100 0.025 0.000 1.009 175 T CB 2.890 71.774 68.868 0.026 0.000 1.203 175 T HN 0.225 nan 8.240 nan 0.000 0.518 176 G N 0.848 109.683 108.800 0.058 0.000 2.525 176 G HA2 0.194 4.168 3.960 0.024 0.000 0.685 176 G HA3 0.194 4.168 3.960 0.024 0.000 0.685 176 G C -3.293 171.666 174.900 0.099 0.000 1.290 176 G CA -0.664 44.484 45.100 0.080 0.000 0.915 176 G HN 0.807 nan 8.290 nan 0.000 0.548 177 P HA 0.467 nan 4.420 nan 0.000 0.268 177 P C 0.500 177.854 177.300 0.089 0.000 1.204 177 P CA 0.723 63.896 63.100 0.121 0.000 0.768 177 P CB 0.506 32.293 31.700 0.144 0.000 0.842 178 C N 0.500 119.850 119.300 0.084 0.000 3.320 178 C HA 1.004 5.478 4.460 0.024 0.000 0.335 178 C C -0.108 174.817 174.990 -0.108 0.000 1.430 178 C CA -0.188 58.844 59.018 0.023 0.000 1.271 178 C CB 1.401 29.186 27.740 0.077 0.000 1.609 178 C HN 0.823 nan 8.230 nan 0.000 0.457 179 G N -0.293 108.192 108.800 -0.525 0.000 2.328 179 G HA2 0.661 4.635 3.960 0.024 0.000 0.295 179 G HA3 0.661 4.635 3.960 0.024 0.000 0.295 179 G C -3.627 170.735 174.900 -0.895 0.000 1.413 179 G CA -0.588 44.135 45.100 -0.629 0.000 0.817 179 G HN 0.696 nan 8.290 nan 0.000 0.546 180 P HA 0.404 nan 4.420 nan 0.000 0.269 180 P C 0.270 177.530 177.300 -0.066 0.000 1.209 180 P CA -0.003 63.039 63.100 -0.096 0.000 0.776 180 P CB 0.728 32.659 31.700 0.385 0.000 0.876 181 C N -0.648 118.624 119.300 -0.048 0.000 2.994 181 C HA 0.846 5.321 4.460 0.024 0.000 0.304 181 C C -0.224 174.745 174.990 -0.036 0.000 1.273 181 C CA -0.641 58.251 59.018 -0.211 0.000 1.537 181 C CB 1.306 28.921 27.740 -0.209 0.000 2.001 181 C HN 0.587 nan 8.230 nan 0.000 0.471 182 T N 0.983 115.452 114.554 -0.141 0.000 2.841 182 T HA 0.649 5.013 4.350 0.024 0.000 0.283 182 T C -1.006 173.744 174.700 0.083 0.000 1.000 182 T CA -0.049 62.127 62.100 0.127 0.000 0.977 182 T CB 0.938 70.053 68.868 0.413 0.000 0.979 182 T HN 0.879 nan 8.240 nan 0.000 0.446 183 E N 3.614 123.909 120.200 0.158 0.000 2.266 183 E HA 0.490 4.855 4.350 0.024 0.000 0.268 183 E C -0.808 175.903 176.600 0.185 0.000 0.879 183 E CA -0.833 55.649 56.400 0.138 0.000 0.762 183 E CB 2.467 32.267 29.700 0.167 0.000 1.199 183 E HN 0.555 nan 8.360 nan 0.000 0.422 184 I N 2.504 123.138 120.570 0.106 0.000 2.336 184 I HA 0.346 4.530 4.170 0.024 0.000 0.292 184 I C -0.771 175.417 176.117 0.118 0.000 0.991 184 I CA -0.534 60.873 61.300 0.178 0.000 1.227 184 I CB 0.512 38.653 38.000 0.236 0.000 1.366 184 I HN 0.322 nan 8.210 nan 0.000 0.466 185 F N 5.250 125.324 119.950 0.207 0.000 2.522 185 F HA 0.455 4.997 4.527 0.025 0.000 0.324 185 F C -0.432 175.559 175.800 0.319 0.000 1.077 185 F CA -0.750 57.393 58.000 0.238 0.000 0.944 185 F CB 1.486 40.606 39.000 0.200 0.000 1.175 185 F HN 0.271 nan 8.300 nan 0.000 0.468 186 Y N 1.736 122.189 120.300 0.256 0.000 2.364 186 Y HA 0.362 4.926 4.550 0.024 0.000 0.340 186 Y C -0.750 175.141 175.900 -0.015 0.000 0.975 186 Y CA -1.112 57.050 58.100 0.104 0.000 1.089 186 Y CB 1.163 39.576 38.460 -0.078 0.000 1.192 186 Y HN 0.533 nan 8.280 nan 0.000 0.454 187 D N 4.151 124.217 120.400 -0.557 0.000 2.339 187 D HA 0.103 4.757 4.640 0.024 0.000 0.241 187 D C 0.539 176.408 176.300 -0.718 0.000 1.183 187 D CA 0.333 53.917 54.000 -0.692 0.000 0.859 187 D CB 0.396 40.878 40.800 -0.530 0.000 1.067 187 D HN 0.763 nan 8.370 nan 0.000 0.484 188 H N 2.790 121.649 119.070 -0.353 0.000 2.548 188 H HA 0.236 4.806 4.556 0.023 0.000 0.268 188 H C 1.041 176.320 175.328 -0.082 0.000 0.975 188 H CA 0.970 56.964 56.048 -0.090 0.000 1.195 188 H CB 0.602 30.372 29.762 0.014 0.000 1.397 188 H HN 0.643 nan 8.280 nan 0.000 0.572 189 G N 1.218 109.939 108.800 -0.132 0.000 2.375 189 G HA2 -0.176 3.798 3.960 0.024 0.000 0.663 189 G HA3 -0.176 3.798 3.960 0.024 0.000 0.663 189 G C -0.297 174.528 174.900 -0.126 0.000 1.391 189 G CA -0.166 44.914 45.100 -0.034 0.000 0.949 189 G HN 0.236 nan 8.290 nan 0.000 0.646 190 D N -0.813 119.582 120.400 -0.007 0.000 2.336 190 D HA -0.022 4.632 4.640 0.024 0.000 0.229 190 D C 1.509 177.831 176.300 0.036 0.000 1.061 190 D CA 1.240 55.227 54.000 -0.021 0.000 0.875 190 D CB -0.396 40.413 40.800 0.016 0.000 0.904 190 D HN 0.771 nan 8.370 nan 0.000 0.525 191 H N -0.060 119.017 119.070 0.012 0.000 2.551 191 H HA 0.179 4.749 4.556 0.024 0.000 0.266 191 H C 0.178 175.538 175.328 0.053 0.000 0.977 191 H CA -0.149 55.920 56.048 0.034 0.000 1.163 191 H CB -0.108 29.673 29.762 0.032 0.000 1.381 191 H HN 0.169 nan 8.280 nan 0.000 0.581 192 I N 1.025 121.374 120.570 -0.368 0.000 2.377 192 I HA 0.106 4.290 4.170 0.024 0.000 0.293 192 I C -0.203 175.899 176.117 -0.024 0.000 0.987 192 I CA -1.144 60.026 61.300 -0.217 0.000 1.185 192 I CB 1.284 39.089 38.000 -0.324 0.000 1.341 192 I HN 0.072 nan 8.210 nan 0.000 0.455 193 W N 6.762 128.019 121.300 -0.073 0.000 2.170 193 W HA 0.469 5.142 4.660 0.023 0.000 0.342 193 W C 0.590 177.100 176.519 -0.014 0.000 1.294 193 W CA 1.145 58.473 57.345 -0.029 0.000 1.246 193 W CB 0.564 30.017 29.460 -0.012 0.000 1.156 193 W HN 0.725 nan 8.180 nan 0.000 0.572 194 G N 2.694 110.910 108.800 -0.973 0.000 2.379 194 G HA2 0.411 4.386 3.960 0.024 0.000 0.609 194 G HA3 0.411 4.386 3.960 0.024 0.000 0.609 194 G C -0.723 173.866 174.900 -0.518 0.000 1.484 194 G CA -0.599 43.963 45.100 -0.897 0.000 0.921 194 G HN 1.089 nan 8.290 nan 0.000 0.658 195 G N 0.545 109.052 108.800 -0.489 0.000 2.667 195 G HA2 0.917 4.891 3.960 0.024 0.000 0.310 195 G HA3 0.917 4.891 3.960 0.024 0.000 0.310 195 G C -2.429 172.065 174.900 -0.677 0.000 1.259 195 G CA -1.270 43.573 45.100 -0.428 0.000 1.019 195 G HN 0.636 nan 8.290 nan 0.000 0.496 196 P HA 0.244 nan 4.420 nan 0.000 0.273 196 P C -2.701 174.116 177.300 -0.805 0.000 1.250 196 P CA -1.247 60.904 63.100 -1.583 0.000 0.793 196 P CB 0.040 30.763 31.700 -1.629 0.000 1.011 197 P HA 0.076 nan 4.420 nan 0.000 0.266 197 P C 0.965 178.071 177.300 -0.323 0.000 1.195 197 P CA 1.289 64.071 63.100 -0.531 0.000 0.768 197 P CB -0.233 31.007 31.700 -0.766 0.000 0.838 198 G N 1.100 109.788 108.800 -0.188 0.000 2.176 198 G HA2 -0.180 3.794 3.960 0.024 0.000 0.232 198 G HA3 -0.180 3.794 3.960 0.024 0.000 0.232 198 G C 0.145 174.978 174.900 -0.112 0.000 0.986 198 G CA 0.215 45.247 45.100 -0.112 0.000 0.643 198 G HN 0.817 nan 8.290 nan 0.000 0.522 199 S N -0.352 115.255 115.700 -0.155 0.000 2.621 199 S HA 0.790 5.274 4.470 0.024 0.000 0.302 199 S C -1.211 173.333 174.600 -0.093 0.000 1.093 199 S CA -0.907 57.212 58.200 -0.136 0.000 1.017 199 S CB 2.935 66.013 63.200 -0.204 0.000 1.077 199 S HN 0.001 nan 8.310 nan 0.000 0.517 200 P HA -0.035 nan 4.420 nan 0.000 0.236 200 P C 0.414 177.726 177.300 0.021 0.000 1.172 200 P CA 0.879 63.979 63.100 -0.000 0.000 0.759 200 P CB -0.068 31.644 31.700 0.020 0.000 0.843 201 E N -0.060 120.090 120.200 -0.084 0.000 2.624 201 E HA 0.012 4.376 4.350 0.024 0.000 0.210 201 E C 1.145 177.574 176.600 -0.286 0.000 0.997 201 E CA -0.030 56.244 56.400 -0.210 0.000 0.999 201 E CB -0.295 29.110 29.700 -0.491 0.000 1.040 201 E HN 0.438 nan 8.360 nan 0.000 0.469 202 E N 1.126 121.237 120.200 -0.149 0.000 2.265 202 E HA -0.216 4.148 4.350 0.024 0.000 0.196 202 E C 0.980 177.582 176.600 0.004 0.000 0.996 202 E CA 1.227 57.549 56.400 -0.131 0.000 0.832 202 E CB -0.169 29.466 29.700 -0.108 0.000 0.756 202 E HN 0.033 nan 8.360 nan 0.000 0.491 203 D N 1.223 121.676 120.400 0.089 0.000 2.371 203 D HA 0.032 4.687 4.640 0.024 0.000 0.221 203 D C 0.794 177.251 176.300 0.262 0.000 0.986 203 D CA 0.708 54.823 54.000 0.191 0.000 0.899 203 D CB -0.095 40.834 40.800 0.215 0.000 0.902 203 D HN 0.285 nan 8.370 nan 0.000 0.530 204 G N -0.280 108.665 108.800 0.242 0.000 2.664 204 G HA2 -0.030 3.944 3.960 0.024 0.000 0.242 204 G HA3 -0.030 3.944 3.960 0.024 0.000 0.242 204 G C 0.355 175.361 174.900 0.177 0.000 1.225 204 G CA -0.403 44.889 45.100 0.319 0.000 0.849 204 G HN 0.081 nan 8.290 nan 0.000 0.581 205 D N -0.634 119.864 120.400 0.164 0.000 2.336 205 D HA 0.034 4.688 4.640 0.024 0.000 0.228 205 D C 1.946 178.252 176.300 0.010 0.000 1.120 205 D CA -0.071 53.967 54.000 0.063 0.000 0.839 205 D CB 0.454 41.266 40.800 0.021 0.000 0.932 205 D HN 0.504 nan 8.370 nan 0.000 0.509 206 R N -0.219 120.279 120.500 -0.003 0.000 2.055 206 R HA -0.056 4.298 4.340 0.024 0.000 0.226 206 R C 0.063 176.266 176.300 -0.162 0.000 1.135 206 R CA 0.711 56.734 56.100 -0.129 0.000 0.959 206 R CB 0.157 30.314 30.300 -0.237 0.000 0.854 206 R HN 0.013 nan 8.270 nan 0.000 0.431 207 Y N 1.238 121.511 120.300 -0.045 0.000 2.594 207 Y HA 0.352 4.916 4.550 0.023 0.000 0.342 207 Y C -0.317 175.727 175.900 0.240 0.000 1.010 207 Y CA -0.556 57.546 58.100 0.003 0.000 1.270 207 Y CB 0.812 39.126 38.460 -0.244 0.000 1.125 207 Y HN 0.032 nan 8.280 nan 0.000 0.513 208 I N 2.969 123.767 120.570 0.380 0.000 2.353 208 I HA 0.142 4.326 4.170 0.024 0.000 0.293 208 I C 0.301 176.458 176.117 0.066 0.000 0.992 208 I CA -0.748 60.703 61.300 0.251 0.000 1.268 208 I CB 1.430 39.551 38.000 0.203 0.000 1.387 208 I HN 0.535 nan 8.210 nan 0.000 0.478 209 E N 6.094 126.139 120.200 -0.259 0.000 2.265 209 E HA 0.046 4.411 4.350 0.024 0.000 0.272 209 E C 0.192 176.568 176.600 -0.373 0.000 1.067 209 E CA -0.224 55.668 56.400 -0.846 0.000 0.900 209 E CB 0.757 30.004 29.700 -0.756 0.000 1.017 209 E HN 0.481 nan 8.360 nan 0.000 0.431 210 I N 4.602 125.012 120.570 -0.266 0.000 2.685 210 I HA 0.043 4.228 4.170 0.024 0.000 0.251 210 I C 0.458 176.571 176.117 -0.007 0.000 1.102 210 I CA 0.607 61.856 61.300 -0.084 0.000 1.442 210 I CB -0.437 37.582 38.000 0.031 0.000 1.194 210 I HN 0.603 nan 8.210 nan 0.000 0.448 211 W N 3.026 124.238 121.300 -0.147 0.000 2.715 211 W HA 0.357 5.029 4.660 0.019 0.000 0.331 211 W C -0.785 175.664 176.519 -0.117 0.000 1.031 211 W CA -1.512 55.780 57.345 -0.089 0.000 1.237 211 W CB 0.940 30.410 29.460 0.017 0.000 1.378 211 W HN -0.051 nan 8.180 nan 0.000 0.454 212 N N 5.315 124.168 118.700 0.255 0.000 2.444 212 N HA 0.395 5.149 4.740 0.024 0.000 0.262 212 N C -1.220 174.207 175.510 -0.138 0.000 0.974 212 N CA -0.163 52.875 53.050 -0.021 0.000 0.933 212 N CB 0.641 39.033 38.487 -0.158 0.000 1.137 212 N HN 0.347 nan 8.380 nan 0.000 0.498 213 I N 3.577 123.981 120.570 -0.277 0.000 2.330 213 I HA 0.243 4.428 4.170 0.024 0.000 0.286 213 I C -0.354 175.345 176.117 -0.696 0.000 1.025 213 I CA -0.914 60.117 61.300 -0.448 0.000 1.197 213 I CB 1.303 39.030 38.000 -0.455 0.000 1.358 213 I HN 0.146 nan 8.210 nan 0.000 0.467 214 V N 6.780 126.317 119.914 -0.628 0.000 2.407 214 V HA 0.263 4.397 4.120 0.024 0.000 0.278 214 V C -0.255 175.546 176.094 -0.487 0.000 1.037 214 V CA -0.445 61.500 62.300 -0.592 0.000 0.900 214 V CB 0.947 32.476 31.823 -0.490 0.000 0.983 214 V HN 0.340 nan 8.190 nan 0.000 0.459 215 F N 4.825 124.697 119.950 -0.129 0.000 2.351 215 F HA 0.433 4.974 4.527 0.024 0.000 0.362 215 F C 0.605 176.420 175.800 0.024 0.000 1.131 215 F CA -1.201 56.766 58.000 -0.055 0.000 1.187 215 F CB 0.305 39.184 39.000 -0.201 0.000 1.434 215 F HN 0.280 nan 8.300 nan 0.000 0.553 216 M N 3.747 123.445 119.600 0.162 0.000 2.427 216 M HA 0.012 4.507 4.480 0.024 0.000 0.345 216 M C 0.872 177.181 176.300 0.015 0.000 1.653 216 M CA 0.803 56.109 55.300 0.010 0.000 1.138 216 M CB 0.579 33.105 32.600 -0.123 0.000 1.995 216 M HN 0.627 nan 8.290 nan 0.000 0.459 217 Q N 2.094 121.792 119.800 -0.170 0.000 2.471 217 Q HA 0.271 4.625 4.340 0.024 0.000 0.259 217 Q C -0.518 175.125 176.000 -0.595 0.000 0.850 217 Q CA 0.791 56.291 55.803 -0.506 0.000 0.981 217 Q CB 0.957 29.119 28.738 -0.960 0.000 1.180 217 Q HN 0.554 nan 8.270 nan 0.000 0.571 218 F N 0.787 120.794 119.950 0.096 0.000 2.577 218 F HA 0.396 4.935 4.527 0.020 0.000 0.318 218 F C 0.104 175.945 175.800 0.069 0.000 1.065 218 F CA -1.544 56.505 58.000 0.083 0.000 0.929 218 F CB 0.957 40.011 39.000 0.089 0.000 1.237 218 F HN -0.199 nan 8.300 nan 0.000 0.468 219 N N 1.568 120.428 118.700 0.266 0.000 2.444 219 N HA 0.241 4.995 4.740 0.024 0.000 0.262 219 N C -0.909 174.682 175.510 0.134 0.000 0.974 219 N CA -0.584 52.568 53.050 0.170 0.000 0.933 219 N CB 0.904 39.469 38.487 0.131 0.000 1.137 219 N HN 0.628 nan 8.380 nan 0.000 0.498 220 R N 2.580 123.143 120.500 0.104 0.000 2.340 220 R HA 0.198 4.552 4.340 0.024 0.000 0.300 220 R C -0.170 176.151 176.300 0.035 0.000 1.069 220 R CA -0.212 55.914 56.100 0.044 0.000 0.984 220 R CB 0.517 30.838 30.300 0.036 0.000 1.003 220 R HN 0.621 nan 8.270 nan 0.000 0.459 221 Q N 2.070 121.880 119.800 0.018 0.000 2.207 221 Q HA 0.312 4.666 4.340 0.024 0.000 0.237 221 Q C 0.687 176.694 176.000 0.011 0.000 0.998 221 Q CA -0.400 55.415 55.803 0.020 0.000 0.951 221 Q CB 1.227 29.977 28.738 0.020 0.000 1.213 221 Q HN 0.759 nan 8.270 nan 0.000 0.499 222 A N 0.494 123.321 122.820 0.012 0.000 2.067 222 A HA -0.154 4.180 4.320 0.024 0.000 0.219 222 A C 0.936 178.523 177.584 0.006 0.000 1.158 222 A CA 1.457 53.498 52.037 0.008 0.000 0.661 222 A CB -0.272 18.733 19.000 0.009 0.000 0.801 222 A HN 0.620 nan 8.150 nan 0.000 0.452 223 D N -0.884 119.520 120.400 0.006 0.000 2.363 223 D HA 0.194 4.848 4.640 0.024 0.000 0.220 223 D C 1.495 177.796 176.300 0.003 0.000 0.994 223 D CA 1.100 55.103 54.000 0.005 0.000 0.890 223 D CB -0.230 40.574 40.800 0.006 0.000 0.906 223 D HN 0.583 nan 8.370 nan 0.000 0.530 224 G N 0.961 109.761 108.800 -0.001 0.000 2.162 224 G HA2 -0.287 3.687 3.960 0.024 0.000 0.260 224 G HA3 -0.287 3.687 3.960 0.024 0.000 0.260 224 G C 0.624 175.510 174.900 -0.024 0.000 0.976 224 G CA 0.805 45.901 45.100 -0.007 0.000 0.655 224 G HN 0.511 nan 8.290 nan 0.000 0.533 225 T N -1.109 113.431 114.554 -0.023 0.000 2.897 225 T HA 0.678 5.043 4.350 0.024 0.000 0.294 225 T C 0.548 175.199 174.700 -0.082 0.000 1.004 225 T CA -0.639 61.437 62.100 -0.039 0.000 1.106 225 T CB 1.452 70.314 68.868 -0.011 0.000 0.949 225 T HN 0.118 nan 8.240 nan 0.000 0.520 226 M N 2.809 122.310 119.600 -0.165 0.000 2.069 226 M HA 0.367 4.861 4.480 0.024 0.000 0.349 226 M C -0.030 176.241 176.300 -0.048 0.000 1.194 226 M CA -0.535 54.620 55.300 -0.242 0.000 1.081 226 M CB 0.366 32.496 32.600 -0.782 0.000 1.500 226 M HN 0.838 nan 8.290 nan 0.000 0.438 227 E N 6.689 126.938 120.200 0.082 0.000 2.259 227 E HA 0.394 4.758 4.350 0.024 0.000 0.281 227 E C -2.334 174.436 176.600 0.283 0.000 1.027 227 E CA -1.629 54.859 56.400 0.146 0.000 0.838 227 E CB 1.064 30.825 29.700 0.103 0.000 1.066 227 E HN 0.269 nan 8.360 nan 0.000 0.401 228 P HA 0.036 nan 4.420 nan 0.000 0.271 228 P C -0.431 176.950 177.300 0.134 0.000 1.216 228 P CA 0.014 63.279 63.100 0.275 0.000 0.771 228 P CB 0.580 32.401 31.700 0.202 0.000 0.864 229 L N 5.820 127.084 121.223 0.069 0.000 2.456 229 L HA 0.070 4.424 4.340 0.024 0.000 0.272 229 L C -0.421 176.460 176.870 0.019 0.000 1.189 229 L CA -1.398 53.472 54.840 0.051 0.000 0.846 229 L CB -0.039 42.045 42.059 0.042 0.000 1.111 229 L HN 0.326 nan 8.230 nan 0.000 0.475 230 P HA -0.139 nan 4.420 nan 0.000 0.216 230 P C -0.357 176.929 177.300 -0.023 0.000 1.153 230 P CA 1.533 64.637 63.100 0.007 0.000 0.858 230 P CB 0.210 31.918 31.700 0.014 0.000 0.789 231 K N -0.147 120.238 120.400 -0.025 0.000 2.463 231 K HA 0.427 4.761 4.320 0.024 0.000 0.255 231 K C -2.811 173.723 176.600 -0.110 0.000 0.942 231 K CA -2.436 53.808 56.287 -0.072 0.000 0.814 231 K CB 1.801 34.276 32.500 -0.043 0.000 1.122 231 K HN -0.133 nan 8.250 nan 0.000 0.425 232 P HA 0.019 nan 4.420 nan 0.000 0.262 232 P C -0.807 176.287 177.300 -0.345 0.000 1.182 232 P CA 0.322 63.135 63.100 -0.479 0.000 0.761 232 P CB 0.772 31.810 31.700 -1.104 0.000 0.795 233 S N 0.807 116.524 115.700 0.028 0.000 2.732 233 S HA 0.669 5.153 4.470 0.024 0.000 0.293 233 S C -0.849 173.988 174.600 0.394 0.000 1.159 233 S CA -0.645 57.704 58.200 0.249 0.000 0.847 233 S CB 1.454 64.944 63.200 0.483 0.000 1.169 233 S HN 0.119 nan 8.310 nan 0.000 0.501 234 V N 1.715 121.802 119.914 0.288 0.000 2.656 234 V HA 0.575 4.710 4.120 0.024 0.000 0.307 234 V C -1.199 174.972 176.094 0.129 0.000 1.051 234 V CA -0.608 61.789 62.300 0.162 0.000 0.893 234 V CB 1.885 33.742 31.823 0.057 0.000 0.999 234 V HN 0.885 nan 8.190 nan 0.000 0.426 235 D N 2.933 123.290 120.400 -0.070 0.000 2.620 235 D HA 0.467 5.122 4.640 0.024 0.000 0.252 235 D C -0.571 175.535 176.300 -0.322 0.000 1.207 235 D CA -0.030 53.911 54.000 -0.097 0.000 0.884 235 D CB 2.434 43.122 40.800 -0.187 0.000 1.262 235 D HN 0.733 nan 8.370 nan 0.000 0.552 236 T N 0.170 114.490 114.554 -0.390 0.000 2.942 236 T HA 0.832 5.197 4.350 0.024 0.000 0.289 236 T C -0.038 174.558 174.700 -0.174 0.000 1.044 236 T CA -0.834 61.141 62.100 -0.208 0.000 1.023 236 T CB 1.939 70.860 68.868 0.089 0.000 1.123 236 T HN 0.330 nan 8.240 nan 0.000 0.512 237 G N 1.591 110.384 108.800 -0.011 0.000 2.668 237 G HA2 0.537 4.511 3.960 0.024 0.000 0.284 237 G HA3 0.537 4.511 3.960 0.024 0.000 0.284 237 G C -1.283 173.546 174.900 -0.119 0.000 1.456 237 G CA -0.780 44.261 45.100 -0.098 0.000 1.214 237 G HN 0.983 nan 8.290 nan 0.000 0.568 238 M N 3.240 122.591 119.600 -0.416 0.000 2.253 238 M HA 0.668 5.162 4.480 0.024 0.000 0.314 238 M C 0.403 176.482 176.300 -0.368 0.000 1.019 238 M CA -0.547 54.426 55.300 -0.544 0.000 0.932 238 M CB 1.680 33.561 32.600 -1.199 0.000 1.606 238 M HN 0.553 nan 8.290 nan 0.000 0.430 239 G N 4.045 112.715 108.800 -0.217 0.000 2.356 239 G HA2 0.256 4.230 3.960 0.024 0.000 0.273 239 G HA3 0.256 4.230 3.960 0.024 0.000 0.273 239 G C 0.390 175.198 174.900 -0.154 0.000 1.213 239 G CA -0.532 44.501 45.100 -0.111 0.000 0.955 239 G HN 0.882 nan 8.290 nan 0.000 0.454 240 L N 2.710 123.860 121.223 -0.121 0.000 2.012 240 L HA -0.088 4.266 4.340 0.024 0.000 0.210 240 L C 2.479 179.295 176.870 -0.090 0.000 1.073 240 L CA 2.152 56.904 54.840 -0.147 0.000 0.748 240 L CB -0.396 41.590 42.059 -0.121 0.000 0.891 240 L HN 0.584 nan 8.230 nan 0.000 0.431 241 E N -0.510 119.691 120.200 0.000 0.000 2.106 241 E HA -0.148 4.217 4.350 0.024 0.000 0.192 241 E C 2.306 178.887 176.600 -0.033 0.000 0.984 241 E CA 1.234 57.662 56.400 0.046 0.000 0.806 241 E CB -0.216 29.631 29.700 0.244 0.000 0.750 241 E HN 0.456 nan 8.360 nan 0.000 0.458 242 R N -0.169 120.280 120.500 -0.084 0.000 2.073 242 R HA -0.012 4.342 4.340 0.024 0.000 0.229 242 R C 2.185 178.412 176.300 -0.122 0.000 1.120 242 R CA 0.934 56.967 56.100 -0.112 0.000 0.967 242 R CB -0.277 29.936 30.300 -0.146 0.000 0.862 242 R HN 0.155 nan 8.270 nan 0.000 0.436 243 I N 0.815 121.283 120.570 -0.169 0.000 2.500 243 I HA -0.059 4.125 4.170 0.024 0.000 0.252 243 I C 2.003 177.955 176.117 -0.275 0.000 1.142 243 I CA 0.807 61.968 61.300 -0.232 0.000 1.451 243 I CB -0.224 37.631 38.000 -0.242 0.000 1.093 243 I HN 0.074 nan 8.210 nan 0.000 0.430 244 A N 0.613 123.307 122.820 -0.211 0.000 1.902 244 A HA -0.100 4.234 4.320 0.024 0.000 0.217 244 A C 2.519 180.002 177.584 -0.169 0.000 1.181 244 A CA 1.795 53.715 52.037 -0.194 0.000 0.623 244 A CB -1.268 17.661 19.000 -0.117 0.000 0.818 244 A HN 0.503 nan 8.150 nan 0.000 0.443 245 A N -0.504 122.249 122.820 -0.112 0.000 1.877 245 A HA -0.036 4.298 4.320 0.024 0.000 0.216 245 A C 2.242 179.782 177.584 -0.073 0.000 1.186 245 A CA 1.880 53.883 52.037 -0.056 0.000 0.620 245 A CB -1.049 17.939 19.000 -0.020 0.000 0.822 245 A HN 0.411 nan 8.150 nan 0.000 0.443 246 V N 0.091 119.901 119.914 -0.173 0.000 2.287 246 V HA -0.271 3.863 4.120 0.024 0.000 0.248 246 V C 2.546 178.372 176.094 -0.447 0.000 1.053 246 V CA 2.072 64.110 62.300 -0.436 0.000 1.027 246 V CB -0.736 30.608 31.823 -0.800 0.000 0.646 246 V HN 0.571 nan 8.190 nan 0.000 0.447 247 L N -0.745 120.214 121.223 -0.441 0.000 2.217 247 L HA -0.144 4.210 4.340 0.024 0.000 0.211 247 L C 2.281 178.778 176.870 -0.621 0.000 1.107 247 L CA 1.276 55.815 54.840 -0.502 0.000 0.783 247 L CB -0.359 41.405 42.059 -0.492 0.000 0.919 247 L HN 0.393 nan 8.230 nan 0.000 0.442 248 Q N -1.180 118.361 119.800 -0.433 0.000 2.280 248 Q HA 0.043 4.397 4.340 0.024 0.000 0.201 248 Q C -0.362 175.527 176.000 -0.184 0.000 0.890 248 Q CA -0.129 55.492 55.803 -0.303 0.000 0.947 248 Q CB 0.382 29.052 28.738 -0.113 0.000 1.081 248 Q HN 0.428 nan 8.270 nan 0.000 0.502 249 H N -1.797 117.270 119.070 -0.003 0.000 2.903 249 H HA -0.124 4.447 4.556 0.025 0.000 0.285 249 H C -0.230 175.150 175.328 0.087 0.000 1.231 249 H CA 0.853 56.930 56.048 0.048 0.000 1.135 249 H CB -2.592 27.191 29.762 0.036 0.000 1.328 249 H HN 0.202 nan 8.280 nan 0.000 0.388 250 V N -3.097 116.904 119.914 0.146 0.000 3.019 250 V HA 0.429 4.563 4.120 0.024 0.000 0.317 250 V C 0.845 177.026 176.094 0.145 0.000 1.094 250 V CA -0.496 61.885 62.300 0.136 0.000 1.000 250 V CB 2.237 34.105 31.823 0.077 0.000 1.060 250 V HN 0.181 nan 8.190 nan 0.000 0.443 251 N N 0.547 119.282 118.700 0.059 0.000 2.415 251 N HA 0.089 4.843 4.740 0.024 0.000 0.174 251 N C 0.716 176.040 175.510 -0.310 0.000 1.048 251 N CA 0.445 53.376 53.050 -0.199 0.000 0.895 251 N CB 0.439 38.897 38.487 -0.049 0.000 1.036 251 N HN 0.681 nan 8.380 nan 0.000 0.449 252 S N 0.121 115.756 115.700 -0.108 0.000 2.525 252 S HA 0.249 4.733 4.470 0.024 0.000 0.290 252 S C 0.633 175.194 174.600 -0.064 0.000 1.152 252 S CA -0.736 57.422 58.200 -0.071 0.000 1.072 252 S CB 0.859 64.076 63.200 0.029 0.000 1.027 252 S HN 0.053 nan 8.310 nan 0.000 0.500 253 N N 2.559 121.173 118.700 -0.143 0.000 2.192 253 N HA -0.107 4.647 4.740 0.024 0.000 0.188 253 N C 0.646 176.005 175.510 -0.252 0.000 1.013 253 N CA 1.605 54.532 53.050 -0.205 0.000 0.863 253 N CB -0.471 37.796 38.487 -0.368 0.000 0.990 253 N HN 0.722 nan 8.380 nan 0.000 0.430 254 Y N 0.176 120.387 120.300 -0.149 0.000 2.529 254 Y HA 0.058 4.623 4.550 0.024 0.000 0.290 254 Y C 1.112 177.023 175.900 0.018 0.000 1.177 254 Y CA 0.262 58.251 58.100 -0.186 0.000 1.305 254 Y CB 0.226 38.530 38.460 -0.261 0.000 1.047 254 Y HN -0.007 nan 8.280 nan 0.000 0.522 255 D N 0.369 120.842 120.400 0.122 0.000 2.349 255 D HA 0.087 4.741 4.640 0.024 0.000 0.214 255 D C 0.805 177.162 176.300 0.096 0.000 1.063 255 D CA 0.190 54.252 54.000 0.103 0.000 0.847 255 D CB 0.066 40.908 40.800 0.070 0.000 0.933 255 D HN 0.400 nan 8.370 nan 0.000 0.513 256 I N -0.486 120.150 120.570 0.110 0.000 2.823 256 I HA 0.065 4.249 4.170 0.024 0.000 0.290 256 I C 1.576 177.746 176.117 0.088 0.000 1.091 256 I CA -0.700 60.649 61.300 0.081 0.000 1.365 256 I CB 0.910 38.952 38.000 0.069 0.000 1.427 256 I HN -0.277 nan 8.210 nan 0.000 0.583 257 D N 3.722 124.143 120.400 0.035 0.000 2.133 257 D HA -0.301 4.353 4.640 0.024 0.000 0.195 257 D C 1.860 178.163 176.300 0.004 0.000 0.997 257 D CA 1.899 55.910 54.000 0.019 0.000 0.840 257 D CB -0.368 40.429 40.800 -0.005 0.000 0.947 257 D HN 0.800 nan 8.370 nan 0.000 0.452 258 L N -1.115 120.088 121.223 -0.034 0.000 2.012 258 L HA -0.157 4.197 4.340 0.024 0.000 0.210 258 L C 2.552 179.313 176.870 -0.182 0.000 1.073 258 L CA 1.433 56.187 54.840 -0.144 0.000 0.748 258 L CB -0.313 41.603 42.059 -0.239 0.000 0.891 258 L HN -0.116 nan 8.230 nan 0.000 0.431 259 F N -0.435 119.509 119.950 -0.009 0.000 2.293 259 F HA -0.026 4.514 4.527 0.022 0.000 0.297 259 F C 2.588 178.418 175.800 0.051 0.000 1.089 259 F CA 0.642 58.661 58.000 0.030 0.000 1.377 259 F CB -0.087 38.944 39.000 0.053 0.000 1.051 259 F HN -0.081 nan 8.300 nan 0.000 0.511 260 R N -0.381 120.238 120.500 0.199 0.000 2.091 260 R HA -0.128 4.226 4.340 0.024 0.000 0.238 260 R C 2.003 178.349 176.300 0.078 0.000 1.136 260 R CA 1.971 58.145 56.100 0.124 0.000 0.959 260 R CB -0.874 29.476 30.300 0.083 0.000 0.856 260 R HN 0.183 nan 8.270 nan 0.000 0.437 261 T N 1.192 115.771 114.554 0.042 0.000 2.857 261 T HA -0.072 4.293 4.350 0.024 0.000 0.266 261 T C 1.634 176.339 174.700 0.007 0.000 1.048 261 T CA 0.679 62.784 62.100 0.009 0.000 1.139 261 T CB -0.100 68.754 68.868 -0.022 0.000 0.874 261 T HN 0.025 nan 8.240 nan 0.000 0.455 262 L N 0.966 122.192 121.223 0.006 0.000 2.072 262 L HA 0.194 4.548 4.340 0.024 0.000 0.205 262 L C 2.095 179.014 176.870 0.081 0.000 1.079 262 L CA 1.325 56.170 54.840 0.009 0.000 0.752 262 L CB -0.594 41.431 42.059 -0.056 0.000 0.906 262 L HN 0.259 nan 8.230 nan 0.000 0.436 263 I N -1.140 119.513 120.570 0.138 0.000 2.315 263 I HA -0.319 3.865 4.170 0.024 0.000 0.248 263 I C 2.398 178.550 176.117 0.059 0.000 1.117 263 I CA 1.011 62.383 61.300 0.120 0.000 1.404 263 I CB -0.223 37.860 38.000 0.139 0.000 1.071 263 I HN 0.397 nan 8.210 nan 0.000 0.419 264 Q N 0.570 120.397 119.800 0.045 0.000 2.084 264 Q HA -0.194 4.160 4.340 0.024 0.000 0.202 264 Q C 2.483 178.490 176.000 0.011 0.000 0.978 264 Q CA 1.804 57.620 55.803 0.021 0.000 0.844 264 Q CB -0.277 28.470 28.738 0.015 0.000 0.898 264 Q HN 0.576 nan 8.270 nan 0.000 0.426 265 A N 0.243 123.070 122.820 0.011 0.000 1.933 265 A HA -0.150 4.184 4.320 0.024 0.000 0.218 265 A C 2.312 179.905 177.584 0.016 0.000 1.175 265 A CA 1.382 53.420 52.037 0.001 0.000 0.628 265 A CB -0.671 18.322 19.000 -0.013 0.000 0.814 265 A HN 0.221 nan 8.150 nan 0.000 0.444 266 V N -0.233 119.704 119.914 0.038 0.000 2.358 266 V HA -0.229 3.905 4.120 0.024 0.000 0.246 266 V C 3.042 179.133 176.094 -0.006 0.000 1.047 266 V CA 1.887 64.218 62.300 0.052 0.000 1.035 266 V CB -1.189 30.681 31.823 0.079 0.000 0.658 266 V HN 0.611 nan 8.190 nan 0.000 0.452 267 A N -0.353 122.460 122.820 -0.011 0.000 1.972 267 A HA -0.253 4.081 4.320 0.024 0.000 0.219 267 A C 2.346 179.909 177.584 -0.035 0.000 1.169 267 A CA 2.108 54.125 52.037 -0.033 0.000 0.635 267 A CB -0.452 18.535 19.000 -0.022 0.000 0.810 267 A HN 0.533 nan 8.150 nan 0.000 0.446 268 K N 0.181 120.569 120.400 -0.020 0.000 2.002 268 K HA -0.119 4.215 4.320 0.024 0.000 0.209 268 K C 1.838 178.426 176.600 -0.021 0.000 1.048 268 K CA 1.970 58.246 56.287 -0.019 0.000 0.930 268 K CB -0.329 32.162 32.500 -0.014 0.000 0.714 268 K HN 0.445 nan 8.250 nan 0.000 0.438 269 V N -0.825 119.083 119.914 -0.011 0.000 3.041 269 V HA -0.049 4.085 4.120 0.024 0.000 0.260 269 V C 1.791 177.867 176.094 -0.029 0.000 1.105 269 V CA 1.741 64.046 62.300 0.008 0.000 1.125 269 V CB -0.592 31.269 31.823 0.064 0.000 0.730 269 V HN 0.489 nan 8.190 nan 0.000 0.479 270 T N -3.860 110.625 114.554 -0.116 0.000 3.022 270 T HA 0.435 4.799 4.350 0.024 0.000 0.250 270 T C 1.741 176.360 174.700 -0.134 0.000 1.060 270 T CA 0.842 62.805 62.100 -0.228 0.000 1.013 270 T CB 0.422 69.059 68.868 -0.385 0.000 0.982 270 T HN 1.487 nan 8.240 nan 0.000 0.508 271 G N 1.719 110.470 108.800 -0.082 0.000 2.162 271 G HA2 -0.088 3.887 3.960 0.024 0.000 0.260 271 G HA3 -0.088 3.887 3.960 0.024 0.000 0.260 271 G C 0.396 175.260 174.900 -0.059 0.000 0.976 271 G CA -0.005 45.061 45.100 -0.058 0.000 0.655 271 G HN 1.254 nan 8.290 nan 0.000 0.533 272 A N 0.094 122.869 122.820 -0.075 0.000 2.561 272 A HA 0.546 4.880 4.320 0.024 0.000 0.234 272 A C 1.670 179.227 177.584 -0.044 0.000 1.055 272 A CA 1.827 53.825 52.037 -0.065 0.000 0.756 272 A CB 0.207 19.163 19.000 -0.073 0.000 0.986 272 A HN 1.618 nan 8.150 nan 0.000 0.505 273 T N -0.640 113.891 114.554 -0.038 0.000 3.023 273 T HA 0.085 4.449 4.350 0.024 0.000 0.249 273 T C 0.448 175.132 174.700 -0.026 0.000 1.050 273 T CA 0.470 62.552 62.100 -0.029 0.000 1.088 273 T CB -0.206 68.647 68.868 -0.025 0.000 0.946 273 T HN 0.611 nan 8.240 nan 0.000 0.480 274 D N 1.285 121.667 120.400 -0.031 0.000 2.423 274 D HA 0.134 4.789 4.640 0.024 0.000 0.238 274 D C 1.159 177.443 176.300 -0.026 0.000 1.142 274 D CA 0.038 54.020 54.000 -0.030 0.000 0.884 274 D CB 1.302 42.079 40.800 -0.037 0.000 1.199 274 D HN 0.204 nan 8.370 nan 0.000 0.438 275 L N 0.827 122.038 121.223 -0.020 0.000 2.341 275 L HA 0.001 4.355 4.340 0.024 0.000 0.214 275 L C 1.157 178.018 176.870 -0.015 0.000 1.115 275 L CA 0.627 55.460 54.840 -0.012 0.000 0.820 275 L CB 0.067 42.123 42.059 -0.004 0.000 0.944 275 L HN 0.163 nan 8.230 nan 0.000 0.452 276 S N -0.435 115.247 115.700 -0.031 0.000 2.542 276 S HA 0.520 5.005 4.470 0.024 0.000 0.276 276 S C -1.549 173.005 174.600 -0.075 0.000 1.148 276 S CA -0.853 57.315 58.200 -0.052 0.000 0.886 276 S CB 1.441 64.613 63.200 -0.047 0.000 1.109 276 S HN 0.447 nan 8.310 nan 0.000 0.458 277 N N 1.579 120.214 118.700 -0.109 0.000 3.106 277 N HA 0.374 5.129 4.740 0.024 0.000 0.253 277 N C 0.282 175.672 175.510 -0.201 0.000 1.506 277 N CA -0.971 52.001 53.050 -0.129 0.000 0.876 277 N CB 0.368 38.800 38.487 -0.091 0.000 1.452 277 N HN 0.450 nan 8.380 nan 0.000 0.542 278 K N -0.016 120.250 120.400 -0.223 0.000 2.059 278 K HA -0.156 4.179 4.320 0.024 0.000 0.212 278 K C 1.141 177.523 176.600 -0.364 0.000 1.050 278 K CA 2.290 58.375 56.287 -0.337 0.000 0.927 278 K CB -0.436 31.863 32.500 -0.334 0.000 0.714 278 K HN 0.514 nan 8.250 nan 0.000 0.447 279 S N 1.163 116.731 115.700 -0.221 0.000 2.368 279 S HA -0.093 4.391 4.470 0.024 0.000 0.225 279 S C 1.913 176.386 174.600 -0.211 0.000 1.030 279 S CA 1.203 59.280 58.200 -0.205 0.000 0.999 279 S CB -0.207 63.040 63.200 0.079 0.000 0.844 279 S HN 0.264 nan 8.310 nan 0.000 0.459 280 L N 0.936 122.066 121.223 -0.154 0.000 2.046 280 L HA -0.108 4.246 4.340 0.024 0.000 0.208 280 L C 2.745 179.548 176.870 -0.112 0.000 1.077 280 L CA 1.276 56.056 54.840 -0.100 0.000 0.747 280 L CB -0.387 41.629 42.059 -0.072 0.000 0.896 280 L HN 0.230 nan 8.230 nan 0.000 0.432 281 R N -0.791 119.563 120.500 -0.243 0.000 2.075 281 R HA -0.104 4.250 4.340 0.024 0.000 0.232 281 R C 2.238 178.352 176.300 -0.310 0.000 1.126 281 R CA 1.104 56.978 56.100 -0.376 0.000 0.963 281 R CB -0.497 29.312 30.300 -0.818 0.000 0.858 281 R HN 0.183 nan 8.270 nan 0.000 0.435 282 V N 1.626 121.282 119.914 -0.429 0.000 2.295 282 V HA -0.248 3.887 4.120 0.024 0.000 0.246 282 V C 2.280 178.099 176.094 -0.457 0.000 1.049 282 V CA 1.774 63.740 62.300 -0.557 0.000 1.024 282 V CB -0.351 30.916 31.823 -0.927 0.000 0.648 282 V HN 0.273 nan 8.190 nan 0.000 0.447 283 I N 0.188 120.631 120.570 -0.212 0.000 2.315 283 I HA -0.199 3.985 4.170 0.024 0.000 0.248 283 I C 2.663 178.937 176.117 0.263 0.000 1.117 283 I CA 1.284 62.641 61.300 0.094 0.000 1.404 283 I CB -0.611 37.517 38.000 0.213 0.000 1.071 283 I HN 0.288 nan 8.210 nan 0.000 0.419 284 A N 0.766 123.718 122.820 0.221 0.000 1.883 284 A HA -0.334 4.001 4.320 0.024 0.000 0.217 284 A C 1.995 179.853 177.584 0.457 0.000 1.186 284 A CA 2.522 54.763 52.037 0.340 0.000 0.624 284 A CB -0.852 18.424 19.000 0.461 0.000 0.822 284 A HN 0.512 nan 8.150 nan 0.000 0.444 285 D N -1.867 118.825 120.400 0.486 0.000 2.117 285 D HA -0.193 4.461 4.640 0.024 0.000 0.198 285 D C 1.753 178.368 176.300 0.525 0.000 0.982 285 D CA 1.487 55.819 54.000 0.553 0.000 0.828 285 D CB -0.139 40.987 40.800 0.543 0.000 0.967 285 D HN 0.525 nan 8.370 nan 0.000 0.464 286 H N -0.491 118.760 119.070 0.302 0.000 2.389 286 H HA 0.004 4.575 4.556 0.025 0.000 0.299 286 H C 1.882 177.438 175.328 0.380 0.000 1.081 286 H CA 0.848 57.077 56.048 0.302 0.000 1.345 286 H CB -0.512 29.388 29.762 0.231 0.000 1.393 286 H HN 0.237 nan 8.280 nan 0.000 0.520 287 I N 1.053 121.917 120.570 0.491 0.000 2.286 287 I HA -0.229 3.955 4.170 0.024 0.000 0.248 287 I C 2.117 178.217 176.117 -0.028 0.000 1.115 287 I CA 1.262 62.614 61.300 0.085 0.000 1.392 287 I CB -0.169 37.732 38.000 -0.164 0.000 1.065 287 I HN 0.067 nan 8.210 nan 0.000 0.418 288 R N 0.178 120.693 120.500 0.025 0.000 2.070 288 R HA -0.132 4.222 4.340 0.024 0.000 0.233 288 R C 2.430 178.648 176.300 -0.137 0.000 1.137 288 R CA 1.925 57.931 56.100 -0.158 0.000 0.945 288 R CB -1.000 29.171 30.300 -0.215 0.000 0.845 288 R HN 0.563 nan 8.270 nan 0.000 0.430 289 S N 0.678 116.447 115.700 0.116 0.000 2.368 289 S HA -0.145 4.339 4.470 0.024 0.000 0.224 289 S C 2.446 177.089 174.600 0.072 0.000 1.029 289 S CA 1.271 59.578 58.200 0.178 0.000 0.988 289 S CB -0.744 62.568 63.200 0.187 0.000 0.838 289 S HN 0.342 nan 8.310 nan 0.000 0.462 290 C N 2.354 121.706 119.300 0.087 0.000 2.453 290 C HA 0.206 4.680 4.460 0.024 0.000 0.277 290 C C 3.381 178.358 174.990 -0.022 0.000 1.262 290 C CA 0.547 59.608 59.018 0.072 0.000 1.718 290 C CB -1.734 26.155 27.740 0.248 0.000 2.031 290 C HN 0.745 nan 8.230 nan 0.000 0.480 291 A N -0.069 122.674 122.820 -0.129 0.000 1.902 291 A HA -0.109 4.225 4.320 0.024 0.000 0.217 291 A C 1.855 179.263 177.584 -0.295 0.000 1.181 291 A CA 1.563 53.433 52.037 -0.277 0.000 0.623 291 A CB -0.787 17.939 19.000 -0.456 0.000 0.818 291 A HN 0.509 nan 8.150 nan 0.000 0.443 292 F N -0.177 119.661 119.950 -0.187 0.000 2.259 292 F HA 0.002 4.544 4.527 0.025 0.000 0.298 292 F C 2.082 177.851 175.800 -0.051 0.000 1.088 292 F CA 0.929 58.854 58.000 -0.124 0.000 1.358 292 F CB -0.360 38.545 39.000 -0.158 0.000 1.040 292 F HN 0.086 nan 8.300 nan 0.000 0.505 293 L N -0.398 120.878 121.223 0.087 0.000 2.017 293 L HA -0.242 4.112 4.340 0.024 0.000 0.208 293 L C 2.327 179.210 176.870 0.022 0.000 1.073 293 L CA 1.372 56.212 54.840 -0.001 0.000 0.745 293 L CB -0.634 41.351 42.059 -0.123 0.000 0.894 293 L HN 0.115 nan 8.230 nan 0.000 0.432 294 I N -0.194 120.376 120.570 0.000 0.000 2.179 294 I HA -0.287 3.897 4.170 0.024 0.000 0.242 294 I C 2.761 178.874 176.117 -0.006 0.000 1.088 294 I CA 1.222 62.520 61.300 -0.003 0.000 1.357 294 I CB -0.524 37.461 38.000 -0.026 0.000 1.051 294 I HN 0.196 nan 8.210 nan 0.000 0.409 295 A N -0.027 122.773 122.820 -0.033 0.000 2.019 295 A HA -0.219 4.115 4.320 0.024 0.000 0.219 295 A C 1.705 179.310 177.584 0.035 0.000 1.164 295 A CA 1.850 53.873 52.037 -0.024 0.000 0.644 295 A CB -0.455 18.499 19.000 -0.077 0.000 0.805 295 A HN 0.345 nan 8.150 nan 0.000 0.449 296 D N -1.568 118.873 120.400 0.068 0.000 2.328 296 D HA 0.300 4.954 4.640 0.024 0.000 0.226 296 D C 1.282 177.627 176.300 0.074 0.000 1.066 296 D CA 1.069 55.119 54.000 0.083 0.000 0.861 296 D CB 0.209 41.073 40.800 0.108 0.000 0.912 296 D HN 0.574 nan 8.370 nan 0.000 0.521 297 G N -0.180 108.655 108.800 0.058 0.000 2.179 297 G HA2 -0.254 3.720 3.960 0.024 0.000 0.220 297 G HA3 -0.254 3.720 3.960 0.024 0.000 0.220 297 G C 0.327 175.268 174.900 0.069 0.000 0.990 297 G CA -0.026 45.107 45.100 0.056 0.000 0.646 297 G HN 0.240 nan 8.290 nan 0.000 0.517 298 V N 2.996 122.961 119.914 0.084 0.000 2.488 298 V HA 0.567 4.702 4.120 0.024 0.000 0.277 298 V C 0.702 176.846 176.094 0.082 0.000 1.046 298 V CA 0.021 62.387 62.300 0.110 0.000 0.986 298 V CB 1.332 33.250 31.823 0.158 0.000 0.989 298 V HN 0.314 nan 8.190 nan 0.000 0.475 299 M N 6.609 126.258 119.600 0.082 0.000 2.336 299 M HA 0.474 4.968 4.480 0.024 0.000 0.342 299 M C -2.565 173.785 176.300 0.083 0.000 1.128 299 M CA -2.845 52.495 55.300 0.067 0.000 1.016 299 M CB 1.270 33.902 32.600 0.053 0.000 1.665 299 M HN 0.272 nan 8.290 nan 0.000 0.445 300 P HA 0.165 nan 4.420 nan 0.000 0.266 300 P C -0.493 176.865 177.300 0.096 0.000 1.195 300 P CA 0.111 63.264 63.100 0.089 0.000 0.768 300 P CB 0.624 32.365 31.700 0.068 0.000 0.838 301 S N 1.530 117.310 115.700 0.132 0.000 2.703 301 S HA 0.366 4.850 4.470 0.024 0.000 0.273 301 S C -0.167 174.536 174.600 0.172 0.000 1.178 301 S CA -0.715 57.557 58.200 0.120 0.000 0.838 301 S CB 0.733 63.990 63.200 0.095 0.000 1.178 301 S HN 0.204 nan 8.310 nan 0.000 0.494 302 N N 1.267 120.011 118.700 0.073 0.000 2.235 302 N HA 0.271 5.025 4.740 0.024 0.000 0.209 302 N C -0.936 174.477 175.510 -0.160 0.000 1.122 302 N CA 0.209 53.210 53.050 -0.082 0.000 0.845 302 N CB 0.307 38.722 38.487 -0.118 0.000 1.004 302 N HN 0.760 nan 8.380 nan 0.000 0.499 303 E N -0.711 119.506 120.200 0.028 0.000 2.314 303 E HA 0.480 4.844 4.350 0.024 0.000 0.272 303 E C 0.301 176.971 176.600 0.117 0.000 0.884 303 E CA -0.812 55.614 56.400 0.043 0.000 0.753 303 E CB 1.276 30.988 29.700 0.019 0.000 1.213 303 E HN -0.215 nan 8.360 nan 0.000 0.432 304 N N 1.234 120.000 118.700 0.110 0.000 1.192 304 N HA -0.318 4.436 4.740 0.024 0.000 0.127 304 N C 1.046 176.608 175.510 0.086 0.000 0.811 304 N CA 1.716 54.809 53.050 0.072 0.000 0.897 304 N CB -0.799 37.707 38.487 0.030 0.000 1.110 304 N HN 0.737 nan 8.380 nan 0.000 0.573 305 R N 0.920 121.443 120.500 0.039 0.000 2.081 305 R HA -0.048 4.306 4.340 0.024 0.000 0.235 305 R C 2.345 178.783 176.300 0.230 0.000 1.131 305 R CA 1.704 57.849 56.100 0.075 0.000 0.960 305 R CB -0.765 29.576 30.300 0.068 0.000 0.856 305 R HN 0.677 nan 8.270 nan 0.000 0.436 306 G N 0.213 109.124 108.800 0.185 0.000 2.442 306 G HA2 -0.319 3.655 3.960 0.024 0.000 0.219 306 G HA3 -0.319 3.655 3.960 0.024 0.000 0.219 306 G C 1.170 176.207 174.900 0.227 0.000 1.141 306 G CA 0.612 45.823 45.100 0.185 0.000 0.763 306 G HN 0.306 nan 8.290 nan 0.000 0.554 307 Y N 1.112 121.463 120.300 0.085 0.000 2.263 307 Y HA 0.012 4.575 4.550 0.022 0.000 0.292 307 Y C 2.794 178.743 175.900 0.082 0.000 1.130 307 Y CA 0.550 58.695 58.100 0.075 0.000 1.179 307 Y CB -0.254 38.251 38.460 0.075 0.000 0.998 307 Y HN 0.051 nan 8.280 nan 0.000 0.532 308 V N 0.040 120.006 119.914 0.087 0.000 2.295 308 V HA -0.288 3.846 4.120 0.024 0.000 0.246 308 V C 2.396 178.506 176.094 0.027 0.000 1.049 308 V CA 1.703 64.027 62.300 0.040 0.000 1.024 308 V CB -1.079 30.885 31.823 0.236 0.000 0.648 308 V HN 0.413 nan 8.190 nan 0.000 0.447 309 L N 0.708 122.000 121.223 0.115 0.000 1.970 309 L HA -0.209 4.145 4.340 0.024 0.000 0.212 309 L C 2.618 179.479 176.870 -0.015 0.000 1.071 309 L CA 2.534 57.407 54.840 0.054 0.000 0.751 309 L CB -0.877 41.240 42.059 0.096 0.000 0.889 309 L HN 0.271 nan 8.230 nan 0.000 0.432 310 R N -0.740 119.758 120.500 -0.005 0.000 2.096 310 R HA -0.202 4.152 4.340 0.024 0.000 0.240 310 R C 2.474 178.662 176.300 -0.187 0.000 1.139 310 R CA 1.899 57.969 56.100 -0.050 0.000 0.952 310 R CB -0.282 30.057 30.300 0.064 0.000 0.854 310 R HN 0.369 nan 8.270 nan 0.000 0.436 311 R N 0.112 120.430 120.500 -0.304 0.000 2.096 311 R HA -0.149 4.205 4.340 0.024 0.000 0.240 311 R C 2.376 178.531 176.300 -0.242 0.000 1.139 311 R CA 2.075 57.961 56.100 -0.356 0.000 0.952 311 R CB -0.437 29.590 30.300 -0.456 0.000 0.854 311 R HN 0.367 nan 8.270 nan 0.000 0.436 312 I N 0.472 120.921 120.570 -0.201 0.000 2.252 312 I HA -0.270 3.914 4.170 0.024 0.000 0.245 312 I C 2.316 178.327 176.117 -0.177 0.000 1.102 312 I CA 1.248 62.408 61.300 -0.233 0.000 1.385 312 I CB -0.331 37.513 38.000 -0.259 0.000 1.064 312 I HN 0.122 nan 8.210 nan 0.000 0.414 313 I N 0.687 121.167 120.570 -0.151 0.000 2.163 313 I HA -0.313 3.871 4.170 0.024 0.000 0.243 313 I C 2.748 178.684 176.117 -0.302 0.000 1.085 313 I CA 1.616 62.790 61.300 -0.210 0.000 1.347 313 I CB -0.462 37.496 38.000 -0.070 0.000 1.044 313 I HN 0.169 nan 8.210 nan 0.000 0.408 314 R N 0.325 120.638 120.500 -0.311 0.000 2.115 314 R HA -0.088 4.266 4.340 0.024 0.000 0.230 314 R C 2.437 178.614 176.300 -0.204 0.000 1.111 314 R CA 0.962 56.794 56.100 -0.446 0.000 0.976 314 R CB -0.278 29.440 30.300 -0.971 0.000 0.870 314 R HN 0.379 nan 8.270 nan 0.000 0.445 315 R N 0.377 120.801 120.500 -0.125 0.000 2.092 315 R HA -0.038 4.316 4.340 0.024 0.000 0.231 315 R C 2.321 178.721 176.300 0.166 0.000 1.119 315 R CA 1.298 57.427 56.100 0.049 0.000 0.970 315 R CB -0.273 30.113 30.300 0.143 0.000 0.864 315 R HN 0.184 nan 8.270 nan 0.000 0.440 316 A N 0.599 123.468 122.820 0.082 0.000 1.898 316 A HA -0.098 4.236 4.320 0.024 0.000 0.216 316 A C 2.301 179.910 177.584 0.041 0.000 1.181 316 A CA 1.246 53.266 52.037 -0.028 0.000 0.620 316 A CB -0.419 18.282 19.000 -0.499 0.000 0.819 316 A HN 0.110 nan 8.150 nan 0.000 0.442 317 V N 0.247 120.125 119.914 -0.060 0.000 2.427 317 V HA -0.207 3.927 4.120 0.024 0.000 0.248 317 V C 2.731 178.970 176.094 0.242 0.000 1.051 317 V CA 2.026 64.430 62.300 0.174 0.000 1.048 317 V CB -0.828 31.093 31.823 0.163 0.000 0.666 317 V HN 0.559 nan 8.190 nan 0.000 0.456 318 R N -0.389 120.200 120.500 0.149 0.000 2.081 318 R HA -0.161 4.194 4.340 0.024 0.000 0.235 318 R C 2.267 178.538 176.300 -0.049 0.000 1.131 318 R CA 1.752 57.863 56.100 0.020 0.000 0.960 318 R CB -0.762 29.494 30.300 -0.075 0.000 0.856 318 R HN 0.586 nan 8.270 nan 0.000 0.436 319 H N -1.011 118.071 119.070 0.020 0.000 2.421 319 H HA -0.053 4.517 4.556 0.024 0.000 0.298 319 H C 1.833 177.131 175.328 -0.051 0.000 1.087 319 H CA 1.458 57.492 56.048 -0.023 0.000 1.330 319 H CB -0.199 29.532 29.762 -0.052 0.000 1.388 319 H HN 0.412 nan 8.280 nan 0.000 0.526 320 G N 0.900 109.766 108.800 0.110 0.000 2.440 320 G HA2 -0.364 3.610 3.960 0.024 0.000 0.218 320 G HA3 -0.364 3.610 3.960 0.024 0.000 0.218 320 G C 1.688 176.495 174.900 -0.154 0.000 1.154 320 G CA 1.029 45.991 45.100 -0.230 0.000 0.767 320 G HN 0.457 nan 8.290 nan 0.000 0.552 321 N N -0.140 118.553 118.700 -0.011 0.000 2.069 321 N HA -0.123 4.631 4.740 0.024 0.000 0.191 321 N C 2.169 177.645 175.510 -0.057 0.000 1.031 321 N CA 1.706 54.739 53.050 -0.028 0.000 0.852 321 N CB -0.292 38.183 38.487 -0.020 0.000 1.018 321 N HN 0.303 nan 8.380 nan 0.000 0.423 322 M N -0.135 119.427 119.600 -0.064 0.000 2.279 322 M HA -0.059 4.435 4.480 0.024 0.000 0.264 322 M C 1.264 177.529 176.300 -0.057 0.000 1.062 322 M CA 1.122 56.386 55.300 -0.061 0.000 1.099 322 M CB 0.025 32.583 32.600 -0.071 0.000 1.394 322 M HN 0.310 nan 8.290 nan 0.000 0.426 323 L N -0.889 120.286 121.223 -0.079 0.000 2.395 323 L HA 0.073 4.427 4.340 0.024 0.000 0.218 323 L C 1.363 178.174 176.870 -0.097 0.000 1.130 323 L CA 0.703 55.485 54.840 -0.097 0.000 0.826 323 L CB -0.342 41.628 42.059 -0.148 0.000 0.941 323 L HN 0.626 nan 8.230 nan 0.000 0.451 324 G N -0.136 108.607 108.800 -0.095 0.000 2.134 324 G HA2 -0.195 3.779 3.960 0.024 0.000 0.209 324 G HA3 -0.195 3.779 3.960 0.024 0.000 0.209 324 G C 0.359 175.211 174.900 -0.079 0.000 0.993 324 G CA -0.176 44.882 45.100 -0.071 0.000 0.669 324 G HN 0.458 nan 8.290 nan 0.000 0.519 325 A N -0.245 122.497 122.820 -0.131 0.000 2.565 325 A HA 0.552 4.886 4.320 0.024 0.000 0.237 325 A C 1.175 178.750 177.584 -0.015 0.000 1.053 325 A CA 1.368 53.333 52.037 -0.121 0.000 0.755 325 A CB 0.221 19.055 19.000 -0.277 0.000 0.980 325 A HN 0.526 nan 8.150 nan 0.000 0.506 326 K N 0.508 120.918 120.400 0.017 0.000 2.373 326 K HA 0.123 4.457 4.320 0.024 0.000 0.200 326 K C 0.027 176.670 176.600 0.071 0.000 1.054 326 K CA 0.582 56.891 56.287 0.036 0.000 1.065 326 K CB 0.479 32.990 32.500 0.019 0.000 0.886 326 K HN 0.928 nan 8.250 nan 0.000 0.546 327 E N 0.125 120.392 120.200 0.112 0.000 2.429 327 E HA 0.254 4.619 4.350 0.024 0.000 0.276 327 E C -1.104 175.641 176.600 0.241 0.000 0.953 327 E CA -1.007 55.480 56.400 0.145 0.000 0.787 327 E CB 0.902 30.674 29.700 0.119 0.000 1.307 327 E HN -0.227 nan 8.360 nan 0.000 0.458 328 T N 1.734 116.432 114.554 0.240 0.000 2.849 328 T HA 0.034 4.398 4.350 0.024 0.000 0.289 328 T C 0.147 175.049 174.700 0.335 0.000 1.010 328 T CA 0.619 62.898 62.100 0.299 0.000 1.161 328 T CB -0.311 68.740 68.868 0.305 0.000 0.989 328 T HN 0.535 nan 8.240 nan 0.000 0.523 329 F N 0.725 120.781 119.950 0.178 0.000 2.658 329 F HA 0.390 4.931 4.527 0.024 0.000 0.293 329 F C 1.470 177.281 175.800 0.020 0.000 0.986 329 F CA -0.615 57.407 58.000 0.037 0.000 1.182 329 F CB -0.408 38.631 39.000 0.064 0.000 0.965 329 F HN 0.451 nan 8.300 nan 0.000 0.659 330 F N 2.487 121.817 119.950 -1.033 0.000 2.134 330 F HA -0.135 4.405 4.527 0.022 0.000 0.299 330 F C 2.552 178.202 175.800 -0.250 0.000 1.097 330 F CA 1.875 59.429 58.000 -0.743 0.000 1.264 330 F CB -0.947 37.613 39.000 -0.733 0.000 1.001 330 F HN 0.259 nan 8.300 nan 0.000 0.479 331 Y N -0.407 119.765 120.300 -0.213 0.000 2.483 331 Y HA -0.007 4.557 4.550 0.023 0.000 0.291 331 Y C 1.764 177.556 175.900 -0.181 0.000 1.143 331 Y CA 1.041 59.010 58.100 -0.219 0.000 1.289 331 Y CB -1.228 37.165 38.460 -0.111 0.000 0.983 331 Y HN -0.030 nan 8.280 nan 0.000 0.556 332 K N 0.656 120.593 120.400 -0.772 0.000 2.486 332 K HA 0.132 4.466 4.320 0.024 0.000 0.194 332 K C 1.118 177.545 176.600 -0.288 0.000 1.033 332 K CA 0.468 56.406 56.287 -0.583 0.000 1.004 332 K CB 0.017 32.197 32.500 -0.533 0.000 0.798 332 K HN 0.448 nan 8.250 nan 0.000 0.495 333 L N 0.029 121.084 121.223 -0.281 0.000 2.607 333 L HA 0.004 4.358 4.340 0.024 0.000 0.228 333 L C 1.716 178.440 176.870 -0.243 0.000 1.123 333 L CA -0.070 54.641 54.840 -0.214 0.000 0.890 333 L CB 0.251 42.197 42.059 -0.189 0.000 1.103 333 L HN -0.092 nan 8.230 nan 0.000 0.468 334 V N 0.278 120.032 119.914 -0.267 0.000 2.358 334 V HA -0.163 3.971 4.120 0.024 0.000 0.246 334 V C 2.604 178.579 176.094 -0.199 0.000 1.047 334 V CA 2.060 64.206 62.300 -0.256 0.000 1.035 334 V CB -1.098 30.592 31.823 -0.222 0.000 0.658 334 V HN 0.552 nan 8.190 nan 0.000 0.452 335 G N 0.883 109.592 108.800 -0.153 0.000 2.545 335 G HA2 -0.214 3.760 3.960 0.024 0.000 0.217 335 G HA3 -0.214 3.760 3.960 0.024 0.000 0.217 335 G C -0.149 174.683 174.900 -0.113 0.000 1.218 335 G CA 1.279 46.309 45.100 -0.117 0.000 0.787 335 G HN 0.502 nan 8.290 nan 0.000 0.571 336 P HA -0.097 nan 4.420 nan 0.000 0.217 336 P C 1.966 179.199 177.300 -0.111 0.000 1.148 336 P CA 0.659 63.702 63.100 -0.095 0.000 0.828 336 P CB -0.080 31.569 31.700 -0.085 0.000 0.783 337 L N -0.892 120.244 121.223 -0.146 0.000 2.044 337 L HA -0.081 4.273 4.340 0.024 0.000 0.205 337 L C 2.212 178.998 176.870 -0.139 0.000 1.075 337 L CA 1.598 56.340 54.840 -0.163 0.000 0.747 337 L CB -1.209 40.714 42.059 -0.227 0.000 0.903 337 L HN -0.151 nan 8.230 nan 0.000 0.435 338 I N -0.006 120.470 120.570 -0.157 0.000 2.185 338 I HA -0.357 3.827 4.170 0.024 0.000 0.246 338 I C 2.201 178.276 176.117 -0.070 0.000 1.088 338 I CA 1.921 63.149 61.300 -0.119 0.000 1.347 338 I CB -0.441 37.486 38.000 -0.122 0.000 1.041 338 I HN 0.396 nan 8.210 nan 0.000 0.415 339 D N 0.205 120.561 120.400 -0.073 0.000 2.117 339 D HA -0.147 4.508 4.640 0.024 0.000 0.198 339 D C 2.109 178.378 176.300 -0.052 0.000 0.982 339 D CA 1.512 55.479 54.000 -0.055 0.000 0.828 339 D CB 0.074 40.842 40.800 -0.054 0.000 0.967 339 D HN 0.265 nan 8.370 nan 0.000 0.464 340 V N -1.587 118.286 119.914 -0.069 0.000 3.041 340 V HA -0.006 4.129 4.120 0.024 0.000 0.260 340 V C 1.741 177.795 176.094 -0.067 0.000 1.105 340 V CA 0.725 62.978 62.300 -0.078 0.000 1.125 340 V CB -0.323 31.428 31.823 -0.120 0.000 0.730 340 V HN 0.112 nan 8.190 nan 0.000 0.479 341 M N 0.644 120.221 119.600 -0.038 0.000 2.541 341 M HA 0.325 4.820 4.480 0.024 0.000 0.252 341 M C 1.699 178.006 176.300 0.012 0.000 1.125 341 M CA 0.877 56.180 55.300 0.004 0.000 1.091 341 M CB -0.940 31.722 32.600 0.103 0.000 1.420 341 M HN 0.665 nan 8.290 nan 0.000 0.486 342 G N 1.626 110.425 108.800 -0.001 0.000 2.622 342 G HA2 -0.410 3.565 3.960 0.024 0.000 0.307 342 G HA3 -0.410 3.565 3.960 0.024 0.000 0.307 342 G C 0.984 175.895 174.900 0.017 0.000 1.226 342 G CA 1.700 46.802 45.100 0.002 0.000 0.997 342 G HN 0.497 nan 8.290 nan 0.000 0.551 343 S N 0.183 115.894 115.700 0.018 0.000 2.419 343 S HA 0.230 4.714 4.470 0.024 0.000 0.233 343 S C 2.351 176.976 174.600 0.041 0.000 1.016 343 S CA 1.806 60.021 58.200 0.025 0.000 0.974 343 S CB -0.325 62.888 63.200 0.022 0.000 0.786 343 S HN 2.057 nan 8.310 nan 0.000 0.492 344 A N 0.665 123.513 122.820 0.046 0.000 2.259 344 A HA 0.556 4.890 4.320 0.024 0.000 0.208 344 A C 1.711 179.397 177.584 0.170 0.000 1.201 344 A CA 0.419 52.498 52.037 0.070 0.000 0.824 344 A CB -0.730 18.284 19.000 0.023 0.000 0.838 344 A HN 0.647 nan 8.150 nan 0.000 0.485 345 G N -1.171 107.711 108.800 0.136 0.000 3.377 345 G HA2 0.213 4.187 3.960 0.024 0.000 0.257 345 G HA3 0.213 4.187 3.960 0.024 0.000 0.257 345 G C 0.821 175.753 174.900 0.053 0.000 1.038 345 G CA 0.169 45.353 45.100 0.140 0.000 0.809 345 G HN 0.541 nan 8.290 nan 0.000 0.526 346 E N 0.805 121.040 120.200 0.058 0.000 2.158 346 E HA -0.054 4.311 4.350 0.024 0.000 0.191 346 E C 1.331 177.942 176.600 0.018 0.000 0.982 346 E CA 0.728 57.142 56.400 0.024 0.000 0.823 346 E CB 0.208 29.922 29.700 0.024 0.000 0.766 346 E HN 0.205 nan 8.360 nan 0.000 0.468 347 D N 1.015 121.444 120.400 0.048 0.000 2.097 347 D HA -0.140 4.514 4.640 0.024 0.000 0.197 347 D C 1.943 178.235 176.300 -0.014 0.000 0.984 347 D CA 0.575 54.597 54.000 0.037 0.000 0.826 347 D CB -0.280 40.572 40.800 0.086 0.000 0.973 347 D HN 0.064 nan 8.370 nan 0.000 0.460 348 L N 1.245 122.432 121.223 -0.059 0.000 2.083 348 L HA -0.129 4.225 4.340 0.024 0.000 0.209 348 L C 1.970 178.748 176.870 -0.154 0.000 1.083 348 L CA 1.751 56.465 54.840 -0.210 0.000 0.752 348 L CB -0.435 41.323 42.059 -0.502 0.000 0.899 348 L HN -0.114 nan 8.230 nan 0.000 0.433 349 K N -0.764 119.575 120.400 -0.102 0.000 2.057 349 K HA -0.184 4.151 4.320 0.024 0.000 0.207 349 K C 2.285 178.850 176.600 -0.059 0.000 1.049 349 K CA 1.307 57.547 56.287 -0.078 0.000 0.931 349 K CB -0.072 32.397 32.500 -0.051 0.000 0.714 349 K HN 0.316 nan 8.250 nan 0.000 0.440 350 R N 0.219 120.694 120.500 -0.043 0.000 2.096 350 R HA -0.116 4.238 4.340 0.024 0.000 0.235 350 R C 1.533 177.810 176.300 -0.038 0.000 1.127 350 R CA 1.525 57.607 56.100 -0.031 0.000 0.968 350 R CB -0.021 30.269 30.300 -0.017 0.000 0.861 350 R HN 0.352 nan 8.270 nan 0.000 0.440 351 Q N -0.075 119.693 119.800 -0.052 0.000 2.201 351 Q HA 0.020 4.374 4.340 0.024 0.000 0.217 351 Q C 1.295 177.251 176.000 -0.073 0.000 0.860 351 Q CA -0.187 55.583 55.803 -0.055 0.000 0.984 351 Q CB 0.860 29.566 28.738 -0.052 0.000 1.095 351 Q HN 0.324 nan 8.270 nan 0.000 0.477 352 Q N 0.927 120.681 119.800 -0.078 0.000 2.096 352 Q HA -0.237 4.117 4.340 0.024 0.000 0.204 352 Q C 1.841 177.803 176.000 -0.062 0.000 0.982 352 Q CA 1.751 57.501 55.803 -0.088 0.000 0.850 352 Q CB 0.005 28.695 28.738 -0.079 0.000 0.901 352 Q HN 0.485 nan 8.270 nan 0.000 0.422 353 A N 0.398 123.191 122.820 -0.045 0.000 1.873 353 A HA -0.249 4.086 4.320 0.024 0.000 0.215 353 A C 1.940 179.501 177.584 -0.039 0.000 1.186 353 A CA 1.633 53.650 52.037 -0.033 0.000 0.616 353 A CB -0.588 18.396 19.000 -0.027 0.000 0.823 353 A HN 0.543 nan 8.150 nan 0.000 0.442 354 Q N -0.440 119.336 119.800 -0.040 0.000 2.061 354 Q HA -0.131 4.223 4.340 0.024 0.000 0.204 354 Q C 2.104 178.077 176.000 -0.045 0.000 0.984 354 Q CA 1.901 57.681 55.803 -0.038 0.000 0.846 354 Q CB -0.471 28.248 28.738 -0.031 0.000 0.902 354 Q HN 0.456 nan 8.270 nan 0.000 0.421 355 V N 1.144 121.021 119.914 -0.061 0.000 2.343 355 V HA -0.257 3.877 4.120 0.024 0.000 0.247 355 V C 1.927 177.984 176.094 -0.061 0.000 1.051 355 V CA 2.006 64.260 62.300 -0.076 0.000 1.036 355 V CB -0.513 31.231 31.823 -0.132 0.000 0.654 355 V HN 0.359 nan 8.190 nan 0.000 0.451 356 E N -0.382 119.791 120.200 -0.046 0.000 2.110 356 E HA -0.292 4.072 4.350 0.024 0.000 0.193 356 E C 2.269 178.836 176.600 -0.055 0.000 0.988 356 E CA 1.347 57.753 56.400 0.011 0.000 0.804 356 E CB -0.129 29.616 29.700 0.075 0.000 0.745 356 E HN 0.470 nan 8.360 nan 0.000 0.458 357 Q N 0.624 120.379 119.800 -0.075 0.000 2.079 357 Q HA -0.107 4.247 4.340 0.024 0.000 0.200 357 Q C 2.100 178.055 176.000 -0.075 0.000 0.974 357 Q CA 1.116 56.857 55.803 -0.105 0.000 0.840 357 Q CB -0.196 28.497 28.738 -0.075 0.000 0.898 357 Q HN 0.114 nan 8.270 nan 0.000 0.430 358 V N 0.496 120.386 119.914 -0.040 0.000 2.287 358 V HA -0.283 3.851 4.120 0.024 0.000 0.248 358 V C 2.296 178.394 176.094 0.007 0.000 1.053 358 V CA 1.901 64.193 62.300 -0.013 0.000 1.027 358 V CB -0.616 31.205 31.823 -0.003 0.000 0.646 358 V HN 0.370 nan 8.190 nan 0.000 0.447 359 L N -0.483 120.751 121.223 0.019 0.000 2.093 359 L HA -0.174 4.180 4.340 0.024 0.000 0.208 359 L C 2.550 179.465 176.870 0.076 0.000 1.085 359 L CA 1.726 56.621 54.840 0.091 0.000 0.755 359 L CB -0.573 41.541 42.059 0.092 0.000 0.904 359 L HN 0.312 nan 8.230 nan 0.000 0.435 360 K N -0.173 120.195 120.400 -0.054 0.000 2.025 360 K HA -0.146 4.189 4.320 0.024 0.000 0.207 360 K C 2.055 178.602 176.600 -0.089 0.000 1.049 360 K CA 1.768 57.935 56.287 -0.201 0.000 0.933 360 K CB -0.021 32.106 32.500 -0.623 0.000 0.714 360 K HN 0.134 nan 8.250 nan 0.000 0.438 361 T N 1.489 116.001 114.554 -0.070 0.000 2.746 361 T HA -0.110 4.254 4.350 0.024 0.000 0.267 361 T C 1.531 176.245 174.700 0.022 0.000 1.039 361 T CA 1.244 63.329 62.100 -0.025 0.000 1.142 361 T CB -0.149 68.706 68.868 -0.021 0.000 0.866 361 T HN 0.268 nan 8.240 nan 0.000 0.444 362 E N 0.934 121.156 120.200 0.038 0.000 2.077 362 E HA -0.134 4.230 4.350 0.024 0.000 0.193 362 E C 2.214 178.873 176.600 0.100 0.000 0.989 362 E CA 1.045 57.483 56.400 0.064 0.000 0.800 362 E CB -0.280 29.454 29.700 0.057 0.000 0.746 362 E HN 0.655 nan 8.360 nan 0.000 0.452 363 E N 0.838 121.096 120.200 0.096 0.000 2.072 363 E HA -0.181 4.184 4.350 0.024 0.000 0.191 363 E C 1.821 178.501 176.600 0.132 0.000 0.985 363 E CA 0.984 57.458 56.400 0.123 0.000 0.801 363 E CB 0.092 29.842 29.700 0.083 0.000 0.750 363 E HN 0.241 nan 8.360 nan 0.000 0.452 364 E N 0.092 120.343 120.200 0.085 0.000 2.077 364 E HA -0.266 4.098 4.350 0.024 0.000 0.193 364 E C 2.123 178.773 176.600 0.084 0.000 0.989 364 E CA 1.325 57.766 56.400 0.068 0.000 0.800 364 E CB -0.058 29.660 29.700 0.028 0.000 0.746 364 E HN 0.165 nan 8.360 nan 0.000 0.452 365 Q N 0.244 120.105 119.800 0.101 0.000 2.084 365 Q HA -0.188 4.167 4.340 0.024 0.000 0.202 365 Q C 1.760 177.878 176.000 0.197 0.000 0.978 365 Q CA 1.414 57.288 55.803 0.120 0.000 0.844 365 Q CB -0.346 28.456 28.738 0.107 0.000 0.898 365 Q HN 0.285 nan 8.270 nan 0.000 0.426 366 F N 0.200 120.178 119.950 0.048 0.000 2.325 366 F HA 0.175 4.718 4.527 0.026 0.000 0.299 366 F C 1.857 177.707 175.800 0.084 0.000 1.090 366 F CA 0.870 58.909 58.000 0.065 0.000 1.392 366 F CB -0.723 38.297 39.000 0.034 0.000 1.053 366 F HN 0.158 nan 8.300 nan 0.000 0.521 367 A N 0.677 123.507 122.820 0.016 0.000 2.019 367 A HA -0.183 4.151 4.320 0.024 0.000 0.219 367 A C 2.328 179.882 177.584 -0.051 0.000 1.164 367 A CA 1.339 53.335 52.037 -0.069 0.000 0.644 367 A CB -0.685 18.327 19.000 0.020 0.000 0.805 367 A HN 0.433 nan 8.150 nan 0.000 0.449 368 R N -0.633 119.871 120.500 0.007 0.000 2.139 368 R HA -0.136 4.218 4.340 0.024 0.000 0.243 368 R C 1.862 178.181 176.300 0.032 0.000 1.145 368 R CA 1.928 58.043 56.100 0.025 0.000 0.976 368 R CB -0.458 29.870 30.300 0.046 0.000 0.866 368 R HN 0.750 nan 8.270 nan 0.000 0.449 369 T N -2.723 111.846 114.554 0.026 0.000 2.959 369 T HA 0.108 4.473 4.350 0.024 0.000 0.254 369 T C 1.539 176.284 174.700 0.075 0.000 1.003 369 T CA -0.355 61.828 62.100 0.138 0.000 0.950 369 T CB 0.070 69.098 68.868 0.267 0.000 1.090 369 T HN 0.009 nan 8.240 nan 0.000 0.503 370 L N 2.225 123.315 121.223 -0.222 0.000 1.956 370 L HA -0.009 4.346 4.340 0.024 0.000 0.216 370 L C 2.377 179.221 176.870 -0.044 0.000 1.073 370 L CA 2.047 56.696 54.840 -0.319 0.000 0.762 370 L CB -0.831 40.804 42.059 -0.708 0.000 0.889 370 L HN 0.242 nan 8.230 nan 0.000 0.433 371 E N -0.820 119.336 120.200 -0.073 0.000 2.118 371 E HA -0.238 4.126 4.350 0.024 0.000 0.195 371 E C 2.289 178.854 176.600 -0.058 0.000 0.992 371 E CA 1.271 57.646 56.400 -0.043 0.000 0.804 371 E CB -0.083 29.596 29.700 -0.034 0.000 0.741 371 E HN 0.505 nan 8.360 nan 0.000 0.458 372 R N -0.209 120.254 120.500 -0.062 0.000 2.075 372 R HA -0.066 4.288 4.340 0.024 0.000 0.232 372 R C 2.499 178.525 176.300 -0.458 0.000 1.126 372 R CA 1.039 57.068 56.100 -0.118 0.000 0.963 372 R CB -0.381 29.956 30.300 0.062 0.000 0.858 372 R HN 0.162 nan 8.270 nan 0.000 0.435 373 G N 1.182 109.579 108.800 -0.672 0.000 2.418 373 G HA2 -0.227 3.748 3.960 0.024 0.000 0.217 373 G HA3 -0.227 3.748 3.960 0.024 0.000 0.217 373 G C 1.435 176.038 174.900 -0.496 0.000 1.158 373 G CA 0.458 44.843 45.100 -1.192 0.000 0.771 373 G HN 0.123 nan 8.290 nan 0.000 0.545 374 L N 0.576 121.771 121.223 -0.047 0.000 2.093 374 L HA -0.038 4.317 4.340 0.024 0.000 0.208 374 L C 3.414 180.246 176.870 -0.064 0.000 1.085 374 L CA 0.918 55.780 54.840 0.037 0.000 0.755 374 L CB -0.398 41.695 42.059 0.057 0.000 0.904 374 L HN 0.312 nan 8.230 nan 0.000 0.435 375 A N 0.143 122.897 122.820 -0.108 0.000 1.877 375 A HA -0.239 4.095 4.320 0.024 0.000 0.216 375 A C 2.209 179.722 177.584 -0.119 0.000 1.186 375 A CA 1.778 53.757 52.037 -0.095 0.000 0.620 375 A CB -0.720 18.230 19.000 -0.083 0.000 0.822 375 A HN 0.325 nan 8.150 nan 0.000 0.443 376 L N -0.736 120.359 121.223 -0.213 0.000 2.012 376 L HA -0.138 4.216 4.340 0.024 0.000 0.210 376 L C 2.244 179.033 176.870 -0.135 0.000 1.073 376 L CA 2.158 56.881 54.840 -0.195 0.000 0.748 376 L CB -0.668 41.192 42.059 -0.331 0.000 0.891 376 L HN 0.338 nan 8.230 nan 0.000 0.431 377 L N -0.222 120.909 121.223 -0.153 0.000 2.012 377 L HA -0.229 4.126 4.340 0.024 0.000 0.210 377 L C 2.095 178.949 176.870 -0.026 0.000 1.073 377 L CA 1.994 56.798 54.840 -0.061 0.000 0.748 377 L CB -1.193 40.866 42.059 -0.001 0.000 0.891 377 L HN 0.330 nan 8.230 nan 0.000 0.431 378 D N -0.505 119.877 120.400 -0.030 0.000 2.123 378 D HA -0.238 4.416 4.640 0.024 0.000 0.196 378 D C 2.129 178.418 176.300 -0.017 0.000 0.992 378 D CA 1.424 55.414 54.000 -0.018 0.000 0.833 378 D CB 0.011 40.798 40.800 -0.021 0.000 0.954 378 D HN 0.581 nan 8.370 nan 0.000 0.455 379 E N 0.351 120.535 120.200 -0.027 0.000 2.077 379 E HA -0.174 4.190 4.350 0.024 0.000 0.193 379 E C 1.593 178.187 176.600 -0.009 0.000 0.989 379 E CA 0.874 57.263 56.400 -0.019 0.000 0.800 379 E CB 0.222 29.906 29.700 -0.025 0.000 0.746 379 E HN 0.169 nan 8.360 nan 0.000 0.452 380 E N 0.302 120.496 120.200 -0.009 0.000 2.216 380 E HA -0.101 4.263 4.350 0.024 0.000 0.192 380 E C 2.241 178.846 176.600 0.009 0.000 0.988 380 E CA 0.450 56.852 56.400 0.004 0.000 0.834 380 E CB 0.021 29.726 29.700 0.009 0.000 0.772 380 E HN 0.396 nan 8.360 nan 0.000 0.479 381 L N 0.349 121.575 121.223 0.006 0.000 2.217 381 L HA -0.036 4.318 4.340 0.024 0.000 0.211 381 L C 2.386 179.259 176.870 0.006 0.000 1.107 381 L CA 0.728 55.574 54.840 0.009 0.000 0.783 381 L CB -0.288 41.777 42.059 0.010 0.000 0.919 381 L HN 0.032 nan 8.230 nan 0.000 0.442 382 A N 0.781 123.602 122.820 0.002 0.000 1.970 382 A HA -0.144 4.190 4.320 0.024 0.000 0.216 382 A C 2.170 179.756 177.584 0.003 0.000 1.170 382 A CA 1.271 53.309 52.037 0.001 0.000 0.645 382 A CB -0.204 18.796 19.000 -0.002 0.000 0.816 382 A HN 0.464 nan 8.150 nan 0.000 0.447 383 K N -0.759 119.644 120.400 0.005 0.000 2.374 383 K HA 0.258 4.593 4.320 0.024 0.000 0.196 383 K C 0.042 176.647 176.600 0.009 0.000 1.023 383 K CA -0.392 55.899 56.287 0.007 0.000 1.103 383 K CB -0.314 32.191 32.500 0.007 0.000 0.848 383 K HN 0.283 nan 8.250 nan 0.000 0.528 384 L N 3.024 124.254 121.223 0.011 0.000 2.367 384 L HA 0.114 4.468 4.340 0.024 0.000 0.275 384 L C -0.428 176.448 176.870 0.010 0.000 1.129 384 L CA 0.203 55.051 54.840 0.013 0.000 0.839 384 L CB 1.257 43.326 42.059 0.016 0.000 1.133 384 L HN 0.312 nan 8.230 nan 0.000 0.453 385 S N 3.623 119.330 115.700 0.011 0.000 2.449 385 S HA 0.952 5.436 4.470 0.024 0.000 0.310 385 S C -0.024 174.581 174.600 0.010 0.000 1.096 385 S CA -0.019 58.186 58.200 0.009 0.000 1.095 385 S CB 1.154 64.359 63.200 0.008 0.000 1.007 385 S HN 1.591 nan 8.310 nan 0.000 0.474 386 G N 2.681 111.485 108.800 0.008 0.000 2.541 386 G HA2 0.005 3.980 3.960 0.024 0.000 0.686 386 G HA3 0.005 3.980 3.960 0.024 0.000 0.686 386 G C -0.483 174.421 174.900 0.008 0.000 1.286 386 G CA -0.103 45.002 45.100 0.008 0.000 0.894 386 G HN 0.995 nan 8.290 nan 0.000 0.575 387 D N -1.044 119.360 120.400 0.007 0.000 2.358 387 D HA 0.317 4.971 4.640 0.024 0.000 0.224 387 D C 0.640 176.946 176.300 0.009 0.000 1.123 387 D CA 0.546 54.550 54.000 0.005 0.000 0.833 387 D CB 0.289 41.089 40.800 0.001 0.000 0.946 387 D HN 0.519 nan 8.370 nan 0.000 0.505 388 T N 0.849 115.411 114.554 0.014 0.000 2.937 388 T HA 0.322 4.686 4.350 0.024 0.000 0.297 388 T C -0.630 174.087 174.700 0.028 0.000 0.991 388 T CA -0.710 61.402 62.100 0.020 0.000 0.990 388 T CB 1.884 70.764 68.868 0.019 0.000 0.991 388 T HN 0.046 nan 8.240 nan 0.000 0.440 389 L N 4.591 125.835 121.223 0.034 0.000 2.367 389 L HA 0.354 4.708 4.340 0.024 0.000 0.275 389 L C 0.040 176.947 176.870 0.061 0.000 1.129 389 L CA -0.223 54.645 54.840 0.047 0.000 0.839 389 L CB 0.215 42.305 42.059 0.051 0.000 1.133 389 L HN 0.684 nan 8.230 nan 0.000 0.453 390 D N 2.650 123.089 120.400 0.065 0.000 2.399 390 D HA 0.179 4.833 4.640 0.024 0.000 0.241 390 D C 1.183 177.555 176.300 0.119 0.000 1.133 390 D CA 0.131 54.177 54.000 0.077 0.000 0.890 390 D CB 0.822 41.660 40.800 0.064 0.000 1.201 390 D HN 0.608 nan 8.370 nan 0.000 0.432 391 G N 0.449 109.330 108.800 0.136 0.000 2.559 391 G HA2 -0.253 3.721 3.960 0.024 0.000 0.216 391 G HA3 -0.253 3.721 3.960 0.024 0.000 0.216 391 G C 1.123 176.174 174.900 0.252 0.000 1.126 391 G CA 0.460 45.693 45.100 0.221 0.000 0.778 391 G HN 0.697 nan 8.290 nan 0.000 0.543 392 E N 0.083 120.386 120.200 0.172 0.000 2.046 392 E HA -0.104 4.261 4.350 0.024 0.000 0.190 392 E C 2.469 179.220 176.600 0.253 0.000 0.982 392 E CA 1.413 57.923 56.400 0.183 0.000 0.800 392 E CB -0.027 29.736 29.700 0.105 0.000 0.756 392 E HN 0.323 nan 8.360 nan 0.000 0.449 393 T N 0.637 115.304 114.554 0.190 0.000 2.746 393 T HA -0.124 4.241 4.350 0.024 0.000 0.267 393 T C 1.889 176.716 174.700 0.212 0.000 1.039 393 T CA 1.231 63.430 62.100 0.165 0.000 1.142 393 T CB -0.348 68.583 68.868 0.105 0.000 0.866 393 T HN 0.323 nan 8.240 nan 0.000 0.444 394 A N 1.046 124.023 122.820 0.262 0.000 1.940 394 A HA -0.057 4.277 4.320 0.024 0.000 0.219 394 A C 2.017 179.927 177.584 0.544 0.000 1.176 394 A CA 1.422 53.653 52.037 0.323 0.000 0.631 394 A CB -0.956 18.212 19.000 0.280 0.000 0.814 394 A HN 0.511 nan 8.150 nan 0.000 0.446 395 F N 0.510 120.734 119.950 0.456 0.000 2.186 395 F HA -0.088 4.452 4.527 0.023 0.000 0.299 395 F C 2.221 178.221 175.800 0.333 0.000 1.090 395 F CA 1.860 60.095 58.000 0.392 0.000 1.307 395 F CB -0.133 38.926 39.000 0.099 0.000 1.019 395 F HN 0.196 nan 8.300 nan 0.000 0.489 396 R N 0.980 121.610 120.500 0.216 0.000 2.073 396 R HA -0.117 4.237 4.340 0.024 0.000 0.234 396 R C 2.124 178.467 176.300 0.071 0.000 1.134 396 R CA 1.994 58.141 56.100 0.079 0.000 0.952 396 R CB -1.162 29.233 30.300 0.157 0.000 0.850 396 R HN 0.466 nan 8.270 nan 0.000 0.433 397 L N -0.516 120.781 121.223 0.123 0.000 2.079 397 L HA -0.204 4.150 4.340 0.024 0.000 0.210 397 L C 2.296 179.259 176.870 0.155 0.000 1.081 397 L CA 1.739 56.595 54.840 0.027 0.000 0.752 397 L CB -0.655 41.349 42.059 -0.092 0.000 0.896 397 L HN 0.260 nan 8.230 nan 0.000 0.433 398 Y N 0.742 121.117 120.300 0.125 0.000 2.133 398 Y HA -0.286 4.278 4.550 0.023 0.000 0.287 398 Y C 2.297 178.177 175.900 -0.032 0.000 1.134 398 Y CA 2.034 60.228 58.100 0.157 0.000 1.133 398 Y CB -0.276 38.366 38.460 0.304 0.000 0.987 398 Y HN 0.206 nan 8.280 nan 0.000 0.502 399 D N -1.152 118.977 120.400 -0.451 0.000 2.123 399 D HA -0.122 4.532 4.640 0.024 0.000 0.200 399 D C 1.863 177.907 176.300 -0.426 0.000 0.976 399 D CA 2.080 55.703 54.000 -0.629 0.000 0.831 399 D CB -0.089 40.243 40.800 -0.781 0.000 0.974 399 D HN 0.402 nan 8.370 nan 0.000 0.469 400 T N -1.572 112.763 114.554 -0.365 0.000 2.983 400 T HA 0.005 4.369 4.350 0.024 0.000 0.250 400 T C 1.022 175.408 174.700 -0.524 0.000 1.037 400 T CA 0.638 62.442 62.100 -0.493 0.000 1.142 400 T CB -0.191 68.250 68.868 -0.711 0.000 0.876 400 T HN 0.196 nan 8.240 nan 0.000 0.455 401 Y N 0.493 120.720 120.300 -0.122 0.000 2.449 401 Y HA 0.430 4.994 4.550 0.023 0.000 0.254 401 Y C 1.844 177.908 175.900 0.273 0.000 1.140 401 Y CA -0.238 57.851 58.100 -0.019 0.000 1.272 401 Y CB 0.134 38.423 38.460 -0.286 0.000 1.114 401 Y HN 0.300 nan 8.280 nan 0.000 0.525 402 G N 0.114 109.077 108.800 0.272 0.000 2.147 402 G HA2 -0.293 3.681 3.960 0.024 0.000 0.244 402 G HA3 -0.293 3.681 3.960 0.024 0.000 0.244 402 G C -0.331 174.904 174.900 0.558 0.000 1.005 402 G CA -0.429 44.848 45.100 0.294 0.000 0.713 402 G HN 0.122 nan 8.290 nan 0.000 0.515 403 F N 1.411 121.552 119.950 0.319 0.000 2.466 403 F HA 0.391 4.932 4.527 0.024 0.000 0.363 403 F C -1.336 174.648 175.800 0.307 0.000 1.109 403 F CA -2.792 55.385 58.000 0.295 0.000 1.161 403 F CB 0.575 39.733 39.000 0.263 0.000 1.117 403 F HN -0.077 nan 8.300 nan 0.000 0.539 404 P HA -0.047 nan 4.420 nan 0.000 0.267 404 P C 1.084 178.431 177.300 0.079 0.000 1.200 404 P CA 0.084 63.346 63.100 0.270 0.000 0.772 404 P CB 0.969 32.693 31.700 0.039 0.000 0.855 405 V N 2.694 122.501 119.914 -0.178 0.000 2.392 405 V HA -0.241 3.894 4.120 0.024 0.000 0.249 405 V C 1.600 177.572 176.094 -0.202 0.000 1.059 405 V CA 2.629 64.655 62.300 -0.457 0.000 1.051 405 V CB -1.007 30.092 31.823 -1.208 0.000 0.658 405 V HN 0.667 nan 8.190 nan 0.000 0.455 406 D N -0.594 119.727 120.400 -0.133 0.000 2.224 406 D HA -0.196 4.459 4.640 0.024 0.000 0.205 406 D C 2.150 178.432 176.300 -0.031 0.000 0.965 406 D CA 1.427 55.385 54.000 -0.070 0.000 0.852 406 D CB -0.345 40.422 40.800 -0.056 0.000 0.947 406 D HN 0.547 nan 8.370 nan 0.000 0.494 407 L N 0.902 122.103 121.223 -0.037 0.000 2.027 407 L HA -0.148 4.206 4.340 0.024 0.000 0.206 407 L C 2.336 179.207 176.870 0.002 0.000 1.074 407 L CA 1.604 56.419 54.840 -0.042 0.000 0.745 407 L CB -0.574 41.411 42.059 -0.123 0.000 0.898 407 L HN -0.056 nan 8.230 nan 0.000 0.433 408 T N 0.208 114.811 114.554 0.081 0.000 2.720 408 T HA -0.213 4.151 4.350 0.024 0.000 0.268 408 T C 1.871 176.609 174.700 0.064 0.000 1.037 408 T CA 1.424 63.612 62.100 0.147 0.000 1.144 408 T CB -0.440 68.538 68.868 0.184 0.000 0.864 408 T HN 0.573 nan 8.240 nan 0.000 0.444 409 A N 1.358 124.189 122.820 0.018 0.000 1.933 409 A HA -0.144 4.191 4.320 0.024 0.000 0.218 409 A C 2.108 179.706 177.584 0.023 0.000 1.175 409 A CA 2.001 54.043 52.037 0.007 0.000 0.628 409 A CB -0.763 18.224 19.000 -0.021 0.000 0.814 409 A HN 0.490 nan 8.150 nan 0.000 0.444 410 D N -0.358 120.062 120.400 0.034 0.000 2.097 410 D HA -0.125 4.530 4.640 0.024 0.000 0.195 410 D C 1.859 178.187 176.300 0.047 0.000 0.989 410 D CA 1.616 55.658 54.000 0.069 0.000 0.827 410 D CB -0.116 40.736 40.800 0.087 0.000 0.966 410 D HN 0.158 nan 8.370 nan 0.000 0.456 411 V N -0.054 119.866 119.914 0.009 0.000 2.295 411 V HA -0.301 3.833 4.120 0.024 0.000 0.246 411 V C 2.824 178.932 176.094 0.023 0.000 1.049 411 V CA 1.675 63.974 62.300 -0.003 0.000 1.024 411 V CB -0.683 31.147 31.823 0.013 0.000 0.648 411 V HN 0.419 nan 8.190 nan 0.000 0.447 412 C N -0.444 118.876 119.300 0.033 0.000 2.425 412 C HA -0.131 4.344 4.460 0.024 0.000 0.277 412 C C 2.933 177.937 174.990 0.024 0.000 1.280 412 C CA 1.228 60.263 59.018 0.028 0.000 1.744 412 C CB -1.194 26.563 27.740 0.029 0.000 1.989 412 C HN 0.550 nan 8.230 nan 0.000 0.491 413 R N 1.284 121.801 120.500 0.028 0.000 2.091 413 R HA -0.180 4.174 4.340 0.024 0.000 0.238 413 R C 1.877 178.206 176.300 0.048 0.000 1.136 413 R CA 1.741 57.854 56.100 0.021 0.000 0.959 413 R CB -0.323 29.987 30.300 0.016 0.000 0.856 413 R HN 0.609 nan 8.270 nan 0.000 0.437 414 E N -0.368 119.877 120.200 0.076 0.000 2.401 414 E HA -0.150 4.214 4.350 0.024 0.000 0.199 414 E C 1.109 177.734 176.600 0.041 0.000 1.023 414 E CA 0.752 57.200 56.400 0.079 0.000 0.859 414 E CB 0.147 29.886 29.700 0.064 0.000 0.780 414 E HN 0.367 nan 8.360 nan 0.000 0.523 415 R N 0.231 120.748 120.500 0.027 0.000 2.543 415 R HA 0.162 4.516 4.340 0.024 0.000 0.323 415 R C -0.173 176.133 176.300 0.010 0.000 1.002 415 R CA -0.159 55.950 56.100 0.016 0.000 1.106 415 R CB 0.404 30.711 30.300 0.012 0.000 1.280 415 R HN 0.003 nan 8.270 nan 0.000 0.549 416 N N 1.010 119.715 118.700 0.009 0.000 2.776 416 N HA -0.148 4.606 4.740 0.024 0.000 0.249 416 N C -0.836 174.673 175.510 -0.002 0.000 1.111 416 N CA 0.989 54.038 53.050 -0.002 0.000 0.711 416 N CB -0.797 37.688 38.487 -0.004 0.000 1.065 416 N HN 0.221 nan 8.380 nan 0.000 0.556 417 I N 0.503 121.074 120.570 0.003 0.000 2.433 417 I HA 0.282 4.466 4.170 0.024 0.000 0.292 417 I C 0.876 176.995 176.117 0.004 0.000 1.001 417 I CA -0.541 60.762 61.300 0.005 0.000 1.119 417 I CB 1.781 39.789 38.000 0.012 0.000 1.289 417 I HN -0.134 nan 8.210 nan 0.000 0.438 418 K N 3.641 124.043 120.400 0.003 0.000 2.098 418 K HA 0.697 5.031 4.320 0.024 0.000 0.244 418 K C -0.798 175.809 176.600 0.013 0.000 1.014 418 K CA -0.746 55.542 56.287 0.002 0.000 0.917 418 K CB 1.539 34.038 32.500 -0.001 0.000 1.072 418 K HN 0.255 nan 8.250 nan 0.000 0.477 419 V N 1.333 121.255 119.914 0.012 0.000 2.540 419 V HA 0.034 4.168 4.120 0.024 0.000 0.302 419 V C -0.853 175.261 176.094 0.034 0.000 1.035 419 V CA -0.785 61.530 62.300 0.025 0.000 0.873 419 V CB 1.608 33.437 31.823 0.010 0.000 0.992 419 V HN 0.733 nan 8.190 nan 0.000 0.428 420 D N 3.513 123.947 120.400 0.056 0.000 2.416 420 D HA 0.082 4.736 4.640 0.024 0.000 0.240 420 D C 1.133 177.494 176.300 0.102 0.000 1.250 420 D CA 0.325 54.365 54.000 0.066 0.000 0.967 420 D CB 0.705 41.544 40.800 0.065 0.000 1.059 420 D HN 0.611 nan 8.370 nan 0.000 0.512 421 E N 2.355 122.604 120.200 0.082 0.000 2.107 421 E HA -0.151 4.213 4.350 0.024 0.000 0.191 421 E C 1.782 178.479 176.600 0.163 0.000 0.982 421 E CA 0.836 57.303 56.400 0.112 0.000 0.809 421 E CB 0.094 29.828 29.700 0.057 0.000 0.756 421 E HN 0.640 nan 8.360 nan 0.000 0.459 422 A N 1.249 124.129 122.820 0.101 0.000 1.902 422 A HA -0.098 4.237 4.320 0.024 0.000 0.217 422 A C 2.445 180.074 177.584 0.076 0.000 1.181 422 A CA 1.688 53.771 52.037 0.077 0.000 0.623 422 A CB -1.104 17.923 19.000 0.044 0.000 0.818 422 A HN 0.353 nan 8.150 nan 0.000 0.443 423 G N -1.269 107.582 108.800 0.085 0.000 2.442 423 G HA2 -0.250 3.724 3.960 0.024 0.000 0.219 423 G HA3 -0.250 3.724 3.960 0.024 0.000 0.219 423 G C 1.468 176.424 174.900 0.095 0.000 1.141 423 G CA 1.196 46.338 45.100 0.070 0.000 0.763 423 G HN 0.545 nan 8.290 nan 0.000 0.554 424 F N 1.288 121.257 119.950 0.031 0.000 2.128 424 F HA 0.071 4.612 4.527 0.023 0.000 0.295 424 F C 2.638 178.453 175.800 0.024 0.000 1.100 424 F CA 1.815 59.853 58.000 0.063 0.000 1.260 424 F CB -0.018 39.029 39.000 0.079 0.000 1.009 424 F HN 0.234 nan 8.300 nan 0.000 0.476 425 E N 0.400 120.648 120.200 0.080 0.000 2.110 425 E HA -0.181 4.183 4.350 0.024 0.000 0.193 425 E C 2.354 178.866 176.600 -0.146 0.000 0.988 425 E CA 0.973 57.347 56.400 -0.043 0.000 0.804 425 E CB -0.388 29.358 29.700 0.078 0.000 0.745 425 E HN 0.522 nan 8.360 nan 0.000 0.458 426 A N 1.479 124.232 122.820 -0.110 0.000 1.902 426 A HA -0.139 4.195 4.320 0.024 0.000 0.217 426 A C 2.400 179.840 177.584 -0.240 0.000 1.181 426 A CA 1.708 53.665 52.037 -0.134 0.000 0.623 426 A CB -0.681 18.266 19.000 -0.088 0.000 0.818 426 A HN 0.300 nan 8.150 nan 0.000 0.443 427 A N -1.123 121.491 122.820 -0.344 0.000 1.933 427 A HA -0.115 4.220 4.320 0.024 0.000 0.218 427 A C 2.198 179.340 177.584 -0.737 0.000 1.175 427 A CA 2.112 53.771 52.037 -0.630 0.000 0.628 427 A CB -0.467 18.068 19.000 -0.775 0.000 0.814 427 A HN 0.554 nan 8.150 nan 0.000 0.444 428 M N -0.866 118.415 119.600 -0.532 0.000 2.132 428 M HA -0.099 4.395 4.480 0.024 0.000 0.263 428 M C 1.876 178.065 176.300 -0.184 0.000 1.065 428 M CA 1.624 56.742 55.300 -0.305 0.000 1.122 428 M CB -0.145 32.230 32.600 -0.376 0.000 1.365 428 M HN 0.351 nan 8.290 nan 0.000 0.411 429 E N -0.279 119.811 120.200 -0.183 0.000 2.107 429 E HA -0.196 4.168 4.350 0.024 0.000 0.191 429 E C 1.926 178.453 176.600 -0.121 0.000 0.982 429 E CA 1.082 57.411 56.400 -0.118 0.000 0.809 429 E CB -0.132 29.511 29.700 -0.095 0.000 0.756 429 E HN 0.517 nan 8.360 nan 0.000 0.459 430 E N 1.091 121.188 120.200 -0.170 0.000 2.110 430 E HA -0.195 4.169 4.350 0.024 0.000 0.193 430 E C 1.976 178.495 176.600 -0.136 0.000 0.988 430 E CA 1.321 57.626 56.400 -0.157 0.000 0.804 430 E CB -0.111 29.470 29.700 -0.199 0.000 0.745 430 E HN 0.215 nan 8.360 nan 0.000 0.458 431 Q N -0.217 119.493 119.800 -0.151 0.000 2.119 431 Q HA -0.123 4.232 4.340 0.024 0.000 0.201 431 Q C 2.150 178.136 176.000 -0.024 0.000 0.972 431 Q CA 1.066 56.840 55.803 -0.049 0.000 0.847 431 Q CB 0.024 28.809 28.738 0.078 0.000 0.903 431 Q HN 0.172 nan 8.270 nan 0.000 0.433 432 R N -0.108 120.371 120.500 -0.034 0.000 2.120 432 R HA -0.100 4.255 4.340 0.024 0.000 0.234 432 R C 2.448 178.717 176.300 -0.052 0.000 1.123 432 R CA 1.199 57.280 56.100 -0.031 0.000 0.975 432 R CB -0.206 30.078 30.300 -0.027 0.000 0.866 432 R HN 0.202 nan 8.270 nan 0.000 0.446 433 R N 0.921 121.385 120.500 -0.061 0.000 2.075 433 R HA -0.079 4.275 4.340 0.024 0.000 0.232 433 R C 2.106 178.365 176.300 -0.068 0.000 1.126 433 R CA 1.248 57.310 56.100 -0.064 0.000 0.963 433 R CB 0.033 30.295 30.300 -0.063 0.000 0.858 433 R HN 0.150 nan 8.270 nan 0.000 0.435 434 R N -0.244 120.218 120.500 -0.064 0.000 2.096 434 R HA -0.082 4.272 4.340 0.024 0.000 0.235 434 R C 2.246 178.502 176.300 -0.073 0.000 1.127 434 R CA 1.347 57.411 56.100 -0.059 0.000 0.968 434 R CB -0.258 30.016 30.300 -0.044 0.000 0.861 434 R HN 0.224 nan 8.270 nan 0.000 0.440 435 A N 1.128 123.902 122.820 -0.077 0.000 1.930 435 A HA -0.128 4.206 4.320 0.024 0.000 0.217 435 A C 2.064 179.529 177.584 -0.198 0.000 1.175 435 A CA 0.987 52.957 52.037 -0.112 0.000 0.627 435 A CB -0.236 18.715 19.000 -0.081 0.000 0.815 435 A HN 0.201 nan 8.150 nan 0.000 0.443 436 R N -0.679 119.718 120.500 -0.172 0.000 2.062 436 R HA -0.100 4.254 4.340 0.024 0.000 0.229 436 R C 2.301 178.495 176.300 -0.177 0.000 1.128 436 R CA 1.318 57.293 56.100 -0.208 0.000 0.960 436 R CB -0.334 29.894 30.300 -0.121 0.000 0.855 436 R HN 0.761 nan 8.270 nan 0.000 0.432 437 E N 0.753 120.882 120.200 -0.118 0.000 2.058 437 E HA -0.223 4.141 4.350 0.024 0.000 0.194 437 E C 1.850 178.393 176.600 -0.095 0.000 0.997 437 E CA 1.467 57.814 56.400 -0.089 0.000 0.801 437 E CB -0.008 29.653 29.700 -0.066 0.000 0.746 437 E HN 0.362 nan 8.360 nan 0.000 0.450 438 A N 0.634 123.388 122.820 -0.109 0.000 1.898 438 A HA -0.124 4.211 4.320 0.024 0.000 0.214 438 A C 2.318 179.828 177.584 -0.124 0.000 1.183 438 A CA 1.759 53.739 52.037 -0.095 0.000 0.622 438 A CB -0.522 18.432 19.000 -0.078 0.000 0.824 438 A HN 0.434 nan 8.150 nan 0.000 0.444 439 S N -1.888 113.674 115.700 -0.230 0.000 2.414 439 S HA 0.327 4.811 4.470 0.024 0.000 0.227 439 S C 1.589 176.030 174.600 -0.264 0.000 1.022 439 S CA 1.301 59.306 58.200 -0.326 0.000 0.958 439 S CB -0.424 62.319 63.200 -0.760 0.000 0.797 439 S HN 1.946 nan 8.310 nan 0.000 0.493 440 G N 1.009 109.654 108.800 -0.257 0.000 2.141 440 G HA2 -0.186 3.788 3.960 0.024 0.000 0.242 440 G HA3 -0.186 3.788 3.960 0.024 0.000 0.242 440 G C -0.068 174.838 174.900 0.009 0.000 0.982 440 G CA 0.330 45.377 45.100 -0.088 0.000 0.662 440 G HN 1.022 nan 8.290 nan 0.000 0.527 441 F N 0.000 119.948 119.950 -0.003 0.000 2.286 441 F HA 0.000 4.541 4.527 0.023 0.000 0.279 441 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 441 F CB 0.000 38.999 39.000 -0.002 0.000 1.145 441 F HN 0.000 nan 8.300 nan 0.000 0.574