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 1ko0_1_A DATA FIRST_RESID 2 DATA SEQUENCE PHSLFSTDTD LTAENLLRLP AEFGCPVWVY DAQIIRRQIA ALKQFDVVRF DATA SEQUENCE AQKACSNIHI LRLMREQGVK VDSVSLGEIE RALAAGYNPQ THPDDIVFTA DATA SEQUENCE DVIDQATLER VSELQIPVNA GSVDMLDQLG QVSPGHRVWL RVNPGFGHGH DATA SEQUENCE SQKTNTGGEN SKHGIWYTDL PAALDVIQRH HLQLVGIHMH IGSGVDYAHL DATA SEQUENCE EQVCGAMVRQ VIEFGQDLQA ISAGGGLSVP YQQGEEAVDT EHYYGLWNAA DATA SEQUENCE REQIARHLGH PVKLEIEPGR FLVAQSGVLI TQVRSVKQMG SRHFVLVDAG DATA SEQUENCE FNDLMRPAMY GSYHHISALA ADGRSLEHAP TVETVVAGPL CESGDVFTQQ DATA SEQUENCE EGGNVETRAL PEVKAGDYLV LHDTGAYGAS MSSNYNSRPL LPEVLFDNGQ DATA SEQUENCE ARLIRRRQTI EELLALELL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.313 177.300 0.021 0.000 1.155 2 P CA 0.000 63.112 63.100 0.020 0.000 0.800 2 P CB 0.000 31.682 31.700 -0.030 0.000 0.726 3 H N -0.530 118.576 119.070 0.059 0.000 2.482 3 H HA 0.562 5.118 4.556 -0.001 0.000 0.344 3 H C -0.569 174.794 175.328 0.058 0.000 1.151 3 H CA -0.222 55.849 56.048 0.039 0.000 1.300 3 H CB 1.327 31.108 29.762 0.033 0.000 1.494 3 H HN 0.388 nan 8.280 nan 0.000 0.542 4 S N 1.891 117.558 115.700 -0.055 0.000 2.545 4 S HA 0.168 4.638 4.470 -0.001 0.000 0.275 4 S C 1.492 175.970 174.600 -0.202 0.000 1.299 4 S CA -0.892 57.241 58.200 -0.112 0.000 1.048 4 S CB 0.096 63.332 63.200 0.061 0.000 0.938 4 S HN 0.625 nan 8.310 nan 0.000 0.496 5 L N 4.221 125.146 121.223 -0.497 0.000 2.551 5 L HA 0.068 4.408 4.340 -0.001 0.000 0.228 5 L C 0.684 177.129 176.870 -0.709 0.000 1.153 5 L CA 0.757 55.230 54.840 -0.612 0.000 0.851 5 L CB -0.528 41.094 42.059 -0.728 0.000 0.959 5 L HN 0.693 nan 8.230 nan 0.000 0.451 6 F N -1.706 118.261 119.950 0.028 0.000 2.637 6 F HA 0.033 4.560 4.527 -0.001 0.000 0.284 6 F C 2.732 178.550 175.800 0.030 0.000 1.105 6 F CA 0.487 58.499 58.000 0.021 0.000 1.356 6 F CB -0.498 38.502 39.000 -0.000 0.000 1.096 6 F HN -0.009 nan 8.300 nan 0.000 0.616 7 S N 0.114 115.924 115.700 0.182 0.000 2.383 7 S HA -0.128 4.341 4.470 -0.001 0.000 0.227 7 S C 1.071 175.719 174.600 0.081 0.000 1.026 7 S CA 0.710 58.985 58.200 0.125 0.000 0.981 7 S CB -1.759 61.506 63.200 0.108 0.000 0.818 7 S HN 0.378 nan 8.310 nan 0.000 0.472 8 T N 2.862 117.463 114.554 0.079 0.000 2.153 8 T HA -0.130 4.220 4.350 -0.001 0.000 0.179 8 T C 0.478 175.178 174.700 -0.001 0.000 1.064 8 T CA 0.857 62.985 62.100 0.046 0.000 1.637 8 T CB -0.470 68.407 68.868 0.014 0.000 0.966 8 T HN 0.706 nan 8.240 nan 0.000 0.412 9 D N 1.890 122.276 120.400 -0.022 0.000 2.277 9 D HA -0.034 4.606 4.640 -0.001 0.000 0.209 9 D C 1.361 177.609 176.300 -0.087 0.000 0.970 9 D CA 0.637 54.612 54.000 -0.042 0.000 0.874 9 D CB -0.396 40.384 40.800 -0.033 0.000 0.982 9 D HN 0.759 nan 8.370 nan 0.000 0.504 10 T N -0.717 113.760 114.554 -0.129 0.000 2.689 10 T HA 0.033 4.383 4.350 -0.001 0.000 0.308 10 T C 0.714 175.267 174.700 -0.246 0.000 1.021 10 T CA -0.270 61.713 62.100 -0.194 0.000 0.973 10 T CB 1.103 69.803 68.868 -0.279 0.000 1.113 10 T HN -0.286 nan 8.240 nan 0.000 0.522 11 D N -0.270 119.922 120.400 -0.346 0.000 2.349 11 D HA 0.095 4.735 4.640 -0.001 0.000 0.224 11 D C 0.524 176.434 176.300 -0.651 0.000 1.029 11 D CA 0.151 53.788 54.000 -0.605 0.000 0.879 11 D CB -0.156 40.081 40.800 -0.939 0.000 0.906 11 D HN 0.195 nan 8.370 nan 0.000 0.528 12 L N 1.806 122.795 121.223 -0.391 0.000 2.873 12 L HA 0.118 4.458 4.340 -0.001 0.000 0.236 12 L C 0.976 177.821 176.870 -0.043 0.000 1.375 12 L CA 0.029 54.744 54.840 -0.208 0.000 1.239 12 L CB -1.221 40.689 42.059 -0.247 0.000 1.603 12 L HN -0.088 nan 8.230 nan 0.000 0.430 13 T N -4.372 110.101 114.554 -0.135 0.000 2.862 13 T HA 0.553 4.902 4.350 -0.001 0.000 0.276 13 T C 1.496 176.128 174.700 -0.113 0.000 0.974 13 T CA -0.121 61.916 62.100 -0.104 0.000 0.966 13 T CB 1.455 70.263 68.868 -0.099 0.000 1.072 13 T HN 0.185 nan 8.240 nan 0.000 0.538 14 A N 0.190 122.919 122.820 -0.152 0.000 1.902 14 A HA -0.055 4.265 4.320 -0.001 0.000 0.217 14 A C 2.360 179.927 177.584 -0.029 0.000 1.181 14 A CA 1.185 53.153 52.037 -0.115 0.000 0.623 14 A CB -0.891 18.057 19.000 -0.087 0.000 0.818 14 A HN 0.899 nan 8.150 nan 0.000 0.443 15 E N 0.122 120.320 120.200 -0.003 0.000 2.072 15 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 15 E C 1.775 178.386 176.600 0.018 0.000 0.985 15 E CA 1.036 57.445 56.400 0.016 0.000 0.801 15 E CB -0.338 29.379 29.700 0.027 0.000 0.750 15 E HN 0.542 nan 8.360 nan 0.000 0.452 16 N N 0.856 119.563 118.700 0.012 0.000 2.120 16 N HA -0.117 4.622 4.740 -0.001 0.000 0.188 16 N C 2.097 177.682 175.510 0.126 0.000 1.024 16 N CA 0.774 53.880 53.050 0.094 0.000 0.852 16 N CB -0.373 38.108 38.487 -0.010 0.000 1.003 16 N HN 0.172 nan 8.380 nan 0.000 0.424 17 L N -0.023 121.223 121.223 0.040 0.000 2.109 17 L HA -0.065 4.275 4.340 -0.001 0.000 0.207 17 L C 2.183 179.000 176.870 -0.089 0.000 1.086 17 L CA 0.376 55.216 54.840 0.000 0.000 0.760 17 L CB -0.385 41.645 42.059 -0.048 0.000 0.910 17 L HN 0.114 nan 8.230 nan 0.000 0.437 18 L N 0.987 122.154 121.223 -0.095 0.000 2.046 18 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 18 L C 2.861 179.621 176.870 -0.185 0.000 1.077 18 L CA 1.740 56.477 54.840 -0.172 0.000 0.747 18 L CB -0.518 41.503 42.059 -0.064 0.000 0.896 18 L HN 0.272 nan 8.230 nan 0.000 0.432 19 R N -0.936 119.520 120.500 -0.073 0.000 2.189 19 R HA -0.069 4.271 4.340 -0.001 0.000 0.218 19 R C 2.042 178.312 176.300 -0.050 0.000 1.074 19 R CA 1.221 57.290 56.100 -0.051 0.000 0.991 19 R CB -0.808 29.492 30.300 -0.001 0.000 0.883 19 R HN 0.397 nan 8.270 nan 0.000 0.457 20 L N 1.267 122.483 121.223 -0.011 0.000 2.017 20 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 20 L C -0.395 176.507 176.870 0.052 0.000 1.073 20 L CA 1.366 56.260 54.840 0.090 0.000 0.745 20 L CB -1.546 40.584 42.059 0.117 0.000 0.894 20 L HN 0.203 nan 8.230 nan 0.000 0.432 21 P HA -0.204 nan 4.420 nan 0.000 0.216 21 P C 1.398 178.674 177.300 -0.040 0.000 1.150 21 P CA 2.041 65.097 63.100 -0.073 0.000 0.843 21 P CB -0.031 31.530 31.700 -0.231 0.000 0.787 22 A N -0.011 122.763 122.820 -0.077 0.000 1.972 22 A HA -0.208 4.112 4.320 -0.001 0.000 0.219 22 A C 2.362 179.872 177.584 -0.123 0.000 1.169 22 A CA 1.817 53.816 52.037 -0.062 0.000 0.635 22 A CB -1.168 17.797 19.000 -0.058 0.000 0.810 22 A HN 0.272 nan 8.150 nan 0.000 0.446 23 E N -1.670 118.400 120.200 -0.216 0.000 2.075 23 E HA -0.007 4.342 4.350 -0.001 0.000 0.190 23 E C 1.180 177.448 176.600 -0.553 0.000 0.969 23 E CA 0.734 56.853 56.400 -0.470 0.000 0.815 23 E CB -0.073 29.167 29.700 -0.767 0.000 0.776 23 E HN 0.613 nan 8.360 nan 0.000 0.457 24 F N -0.098 119.818 119.950 -0.056 0.000 2.721 24 F HA 0.373 4.899 4.527 -0.001 0.000 0.301 24 F C 0.894 176.673 175.800 -0.035 0.000 1.096 24 F CA 0.324 58.295 58.000 -0.048 0.000 1.308 24 F CB 1.517 40.479 39.000 -0.063 0.000 1.086 24 F HN 0.201 nan 8.300 nan 0.000 0.587 25 G N -0.140 108.715 108.800 0.091 0.000 2.603 25 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.686 25 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.686 25 G C -1.720 173.212 174.900 0.053 0.000 1.286 25 G CA -1.008 44.129 45.100 0.061 0.000 0.871 25 G HN 0.301 nan 8.290 nan 0.000 0.568 26 C N 1.910 121.233 119.300 0.039 0.000 2.985 26 C HA 0.851 5.310 4.460 -0.001 0.000 0.332 26 C C -2.122 172.865 174.990 -0.005 0.000 1.164 26 C CA -0.560 58.474 59.018 0.027 0.000 1.347 26 C CB 1.268 29.078 27.740 0.118 0.000 1.764 26 C HN 0.949 nan 8.230 nan 0.000 0.489 27 P HA 0.530 nan 4.420 nan 0.000 0.277 27 P C -1.223 175.968 177.300 -0.181 0.000 1.271 27 P CA -0.180 62.847 63.100 -0.122 0.000 0.795 27 P CB 1.055 32.635 31.700 -0.201 0.000 1.101 28 V N -0.258 119.496 119.914 -0.266 0.000 2.924 28 V HA 0.390 4.509 4.120 -0.001 0.000 0.300 28 V C -1.830 174.086 176.094 -0.296 0.000 1.227 28 V CA -0.748 61.410 62.300 -0.236 0.000 0.954 28 V CB 1.337 33.115 31.823 -0.076 0.000 1.055 28 V HN 0.486 nan 8.190 nan 0.000 0.429 29 W N 4.901 126.138 121.300 -0.106 0.000 2.316 29 W HA 0.687 5.347 4.660 -0.001 0.000 0.311 29 W C -0.253 176.071 176.519 -0.325 0.000 1.217 29 W CA -0.554 56.652 57.345 -0.232 0.000 1.199 29 W CB 1.467 30.816 29.460 -0.185 0.000 1.202 29 W HN 0.453 nan 8.180 nan 0.000 0.528 30 V N 4.150 123.933 119.914 -0.218 0.000 2.588 30 V HA 0.447 4.566 4.120 -0.001 0.000 0.304 30 V C -0.927 174.968 176.094 -0.331 0.000 1.042 30 V CA -1.345 60.843 62.300 -0.187 0.000 0.877 30 V CB 1.022 32.820 31.823 -0.042 0.000 0.996 30 V HN 0.356 nan 8.190 nan 0.000 0.425 31 Y N 1.284 121.624 120.300 0.066 0.000 2.536 31 Y HA 0.611 5.161 4.550 -0.001 0.000 0.347 31 Y C -0.202 175.746 175.900 0.079 0.000 1.000 31 Y CA -1.113 57.015 58.100 0.048 0.000 1.051 31 Y CB 1.740 40.200 38.460 0.001 0.000 1.259 31 Y HN 0.549 nan 8.280 nan 0.000 0.468 32 D N 1.164 121.674 120.400 0.184 0.000 2.453 32 D HA 0.407 5.046 4.640 -0.001 0.000 0.238 32 D C 0.595 176.923 176.300 0.046 0.000 1.088 32 D CA -0.179 53.882 54.000 0.101 0.000 0.854 32 D CB 1.779 42.561 40.800 -0.030 0.000 1.076 32 D HN 0.721 nan 8.370 nan 0.000 0.533 33 A N 3.755 126.604 122.820 0.049 0.000 1.948 33 A HA -0.250 4.069 4.320 -0.001 0.000 0.220 33 A C 1.836 179.399 177.584 -0.035 0.000 1.177 33 A CA 1.498 53.532 52.037 -0.006 0.000 0.636 33 A CB -0.295 18.705 19.000 -0.000 0.000 0.815 33 A HN 0.531 nan 8.150 nan 0.000 0.449 34 Q N -0.264 119.517 119.800 -0.032 0.000 2.297 34 Q HA 0.045 4.385 4.340 -0.001 0.000 0.204 34 Q C 1.619 177.576 176.000 -0.071 0.000 0.962 34 Q CA 1.204 56.977 55.803 -0.050 0.000 0.879 34 Q CB -0.470 28.239 28.738 -0.048 0.000 0.947 34 Q HN 0.746 nan 8.270 nan 0.000 0.462 35 I N -0.706 119.816 120.570 -0.081 0.000 2.406 35 I HA -0.193 3.976 4.170 -0.001 0.000 0.249 35 I C 1.770 177.815 176.117 -0.119 0.000 1.122 35 I CA 0.613 61.850 61.300 -0.105 0.000 1.431 35 I CB -0.145 37.786 38.000 -0.116 0.000 1.087 35 I HN 0.164 nan 8.210 nan 0.000 0.424 36 I N 0.497 121.001 120.570 -0.109 0.000 2.179 36 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 36 I C 2.676 178.716 176.117 -0.128 0.000 1.088 36 I CA 1.355 62.569 61.300 -0.144 0.000 1.357 36 I CB -0.494 37.409 38.000 -0.162 0.000 1.051 36 I HN 0.153 nan 8.210 nan 0.000 0.409 37 R N 0.483 120.925 120.500 -0.097 0.000 2.091 37 R HA -0.203 4.136 4.340 -0.001 0.000 0.238 37 R C 2.464 178.727 176.300 -0.061 0.000 1.136 37 R CA 1.455 57.512 56.100 -0.072 0.000 0.959 37 R CB -0.507 29.760 30.300 -0.055 0.000 0.856 37 R HN 0.378 nan 8.270 nan 0.000 0.437 38 R N 0.878 121.336 120.500 -0.071 0.000 2.083 38 R HA -0.172 4.167 4.340 -0.001 0.000 0.237 38 R C 2.010 178.270 176.300 -0.067 0.000 1.137 38 R CA 1.534 57.596 56.100 -0.062 0.000 0.951 38 R CB -0.017 30.239 30.300 -0.074 0.000 0.851 38 R HN 0.195 nan 8.270 nan 0.000 0.434 39 Q N 0.599 120.320 119.800 -0.132 0.000 2.124 39 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 39 Q C 2.258 178.271 176.000 0.021 0.000 0.977 39 Q CA 1.406 57.101 55.803 -0.180 0.000 0.850 39 Q CB -0.232 28.267 28.738 -0.398 0.000 0.901 39 Q HN 0.499 nan 8.270 nan 0.000 0.429 40 I N 0.617 121.179 120.570 -0.013 0.000 2.286 40 I HA -0.258 3.912 4.170 -0.001 0.000 0.248 40 I C 2.262 178.411 176.117 0.054 0.000 1.115 40 I CA 1.060 62.373 61.300 0.022 0.000 1.392 40 I CB -0.396 37.587 38.000 -0.028 0.000 1.065 40 I HN 0.063 nan 8.210 nan 0.000 0.418 41 A N 0.690 123.530 122.820 0.034 0.000 1.969 41 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 41 A C 2.486 180.114 177.584 0.073 0.000 1.169 41 A CA 1.521 53.581 52.037 0.039 0.000 0.635 41 A CB -0.652 18.358 19.000 0.016 0.000 0.810 41 A HN 0.425 nan 8.150 nan 0.000 0.445 42 A N -0.741 122.149 122.820 0.117 0.000 2.125 42 A HA 0.144 4.464 4.320 -0.001 0.000 0.219 42 A C 1.569 179.261 177.584 0.180 0.000 1.156 42 A CA 1.037 53.175 52.037 0.168 0.000 0.671 42 A CB -0.388 18.776 19.000 0.273 0.000 0.794 42 A HN 0.457 nan 8.150 nan 0.000 0.459 43 L N -0.631 120.698 121.223 0.177 0.000 2.965 43 L HA 0.100 4.440 4.340 -0.001 0.000 0.254 43 L C 1.676 178.677 176.870 0.219 0.000 1.220 43 L CA 0.152 55.122 54.840 0.217 0.000 1.023 43 L CB 0.100 42.218 42.059 0.098 0.000 1.355 43 L HN 0.492 nan 8.230 nan 0.000 0.545 44 K N -0.638 119.827 120.400 0.108 0.000 2.360 44 K HA -0.169 4.150 4.320 -0.001 0.000 0.201 44 K C 1.492 178.077 176.600 -0.025 0.000 1.046 44 K CA 1.090 57.406 56.287 0.048 0.000 0.945 44 K CB -0.050 32.458 32.500 0.013 0.000 0.750 44 K HN 0.388 nan 8.250 nan 0.000 0.464 45 Q N 0.317 120.033 119.800 -0.139 0.000 2.119 45 Q HA -0.005 4.335 4.340 -0.001 0.000 0.201 45 Q C -0.047 175.676 176.000 -0.461 0.000 0.972 45 Q CA 0.621 56.096 55.803 -0.546 0.000 0.847 45 Q CB -0.133 27.873 28.738 -1.220 0.000 0.903 45 Q HN 0.235 nan 8.270 nan 0.000 0.433 46 F N 1.597 121.487 119.950 -0.100 0.000 2.506 46 F HA -0.078 4.449 4.527 -0.000 0.000 0.351 46 F C 1.371 177.214 175.800 0.071 0.000 1.136 46 F CA 0.048 58.112 58.000 0.106 0.000 1.298 46 F CB 0.455 39.526 39.000 0.118 0.000 1.145 46 F HN -0.033 nan 8.300 nan 0.000 0.593 47 D N 0.901 121.460 120.400 0.266 0.000 2.117 47 D HA -0.065 4.575 4.640 -0.001 0.000 0.197 47 D C 0.188 176.587 176.300 0.164 0.000 0.987 47 D CA 1.423 55.529 54.000 0.177 0.000 0.829 47 D CB 0.112 41.015 40.800 0.171 0.000 0.961 47 D HN 0.055 nan 8.370 nan 0.000 0.460 48 V N 1.112 121.145 119.914 0.197 0.000 2.577 48 V HA 0.246 4.366 4.120 -0.001 0.000 0.303 48 V C -0.272 175.880 176.094 0.097 0.000 1.042 48 V CA -0.768 61.611 62.300 0.132 0.000 0.872 48 V CB 2.835 34.729 31.823 0.118 0.000 0.998 48 V HN -0.261 nan 8.190 nan 0.000 0.423 49 V N 5.475 125.424 119.914 0.058 0.000 2.328 49 V HA 0.485 4.605 4.120 -0.001 0.000 0.278 49 V C 0.183 176.282 176.094 0.008 0.000 1.021 49 V CA -0.558 61.744 62.300 0.003 0.000 0.838 49 V CB 1.341 33.175 31.823 0.017 0.000 0.999 49 V HN 0.819 nan 8.190 nan 0.000 0.447 50 R N 4.777 125.258 120.500 -0.031 0.000 2.247 50 R HA 0.366 4.705 4.340 -0.001 0.000 0.329 50 R C -0.774 175.521 176.300 -0.008 0.000 1.014 50 R CA -0.667 55.405 56.100 -0.046 0.000 0.907 50 R CB 0.568 30.790 30.300 -0.130 0.000 1.146 50 R HN 0.548 nan 8.270 nan 0.000 0.499 51 F N 3.703 123.580 119.950 -0.122 0.000 2.543 51 F HA 0.228 4.755 4.527 -0.001 0.000 0.375 51 F C -0.048 175.667 175.800 -0.143 0.000 1.075 51 F CA -0.747 57.187 58.000 -0.111 0.000 1.225 51 F CB 0.735 39.686 39.000 -0.081 0.000 1.099 51 F HN 0.616 nan 8.300 nan 0.000 0.561 52 A N 6.967 129.435 122.820 -0.585 0.000 2.666 52 A HA 0.171 4.491 4.320 -0.001 0.000 0.301 52 A C 1.136 178.013 177.584 -1.179 0.000 1.470 52 A CA -0.103 51.532 52.037 -0.670 0.000 1.159 52 A CB -0.713 18.044 19.000 -0.406 0.000 1.116 52 A HN 0.937 nan 8.150 nan 0.000 0.548 53 Q N 2.786 121.988 119.800 -0.997 0.000 2.439 53 Q HA -0.217 4.123 4.340 -0.001 0.000 0.211 53 Q C 1.358 177.054 176.000 -0.507 0.000 0.978 53 Q CA 1.634 56.907 55.803 -0.883 0.000 0.897 53 Q CB -0.548 27.991 28.738 -0.331 0.000 0.956 53 Q HN 0.832 nan 8.270 nan 0.000 0.483 54 K N 0.198 120.360 120.400 -0.397 0.000 2.442 54 K HA 0.021 4.341 4.320 -0.001 0.000 0.198 54 K C 1.818 178.263 176.600 -0.260 0.000 1.044 54 K CA 1.092 57.257 56.287 -0.202 0.000 0.948 54 K CB -0.106 32.346 32.500 -0.079 0.000 0.762 54 K HN 0.222 nan 8.250 nan 0.000 0.472 55 A N 0.361 122.867 122.820 -0.524 0.000 2.016 55 A HA 0.031 4.350 4.320 -0.001 0.000 0.217 55 A C 0.846 178.170 177.584 -0.432 0.000 1.162 55 A CA 0.762 52.274 52.037 -0.875 0.000 0.662 55 A CB -0.233 18.354 19.000 -0.689 0.000 0.812 55 A HN 0.533 nan 8.150 nan 0.000 0.450 56 C N -1.026 118.165 119.300 -0.181 0.000 3.087 56 C HA 0.420 4.880 4.460 -0.001 0.000 0.386 56 C C 0.706 175.702 174.990 0.010 0.000 1.013 56 C CA -0.127 58.853 59.018 -0.063 0.000 1.287 56 C CB -0.455 27.287 27.740 0.004 0.000 1.615 56 C HN 0.266 nan 8.230 nan 0.000 0.536 57 S N 2.353 118.016 115.700 -0.062 0.000 2.556 57 S HA 0.051 4.520 4.470 -0.001 0.000 0.216 57 S C 0.719 175.301 174.600 -0.030 0.000 0.970 57 S CA -0.090 58.092 58.200 -0.030 0.000 0.912 57 S CB -0.238 62.930 63.200 -0.054 0.000 0.790 57 S HN 0.884 nan 8.310 nan 0.000 0.504 58 N N 2.794 121.450 118.700 -0.073 0.000 2.292 58 N HA -0.068 4.672 4.740 -0.001 0.000 0.258 58 N C 1.271 176.751 175.510 -0.050 0.000 1.261 58 N CA 0.197 53.213 53.050 -0.057 0.000 0.845 58 N CB 0.385 38.814 38.487 -0.096 0.000 1.064 58 N HN 0.434 nan 8.380 nan 0.000 0.471 59 I N 1.753 122.274 120.570 -0.080 0.000 2.454 59 I HA -0.226 3.944 4.170 -0.001 0.000 0.254 59 I C 1.067 177.045 176.117 -0.231 0.000 1.156 59 I CA 1.206 62.413 61.300 -0.156 0.000 1.433 59 I CB -0.428 37.441 38.000 -0.218 0.000 1.082 59 I HN 0.504 nan 8.210 nan 0.000 0.432 60 H N 1.175 120.209 119.070 -0.059 0.000 2.428 60 H HA 0.111 4.667 4.556 -0.001 0.000 0.296 60 H C 2.228 177.495 175.328 -0.102 0.000 1.062 60 H CA 1.758 57.761 56.048 -0.075 0.000 1.350 60 H CB -0.041 29.674 29.762 -0.079 0.000 1.403 60 H HN 0.342 nan 8.280 nan 0.000 0.533 61 I N 0.188 120.734 120.570 -0.040 0.000 2.500 61 I HA -0.175 3.994 4.170 -0.001 0.000 0.252 61 I C 1.577 177.636 176.117 -0.096 0.000 1.142 61 I CA 0.669 61.892 61.300 -0.129 0.000 1.451 61 I CB 0.007 37.855 38.000 -0.253 0.000 1.093 61 I HN 0.237 nan 8.210 nan 0.000 0.430 62 L N 0.026 121.240 121.223 -0.016 0.000 2.093 62 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 62 L C 2.655 179.544 176.870 0.031 0.000 1.085 62 L CA 1.245 56.136 54.840 0.086 0.000 0.755 62 L CB -0.595 41.564 42.059 0.168 0.000 0.904 62 L HN 0.158 nan 8.230 nan 0.000 0.435 63 R N -0.070 120.400 120.500 -0.050 0.000 2.081 63 R HA -0.188 4.152 4.340 -0.001 0.000 0.235 63 R C 2.236 178.482 176.300 -0.091 0.000 1.131 63 R CA 1.307 57.346 56.100 -0.102 0.000 0.960 63 R CB -0.389 29.858 30.300 -0.088 0.000 0.856 63 R HN 0.170 nan 8.270 nan 0.000 0.436 64 L N 0.320 121.501 121.223 -0.071 0.000 2.046 64 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 64 L C 1.915 178.733 176.870 -0.088 0.000 1.077 64 L CA 1.782 56.575 54.840 -0.078 0.000 0.747 64 L CB -0.290 41.717 42.059 -0.087 0.000 0.896 64 L HN 0.144 nan 8.230 nan 0.000 0.432 65 M N -0.512 119.033 119.600 -0.091 0.000 2.065 65 M HA -0.232 4.248 4.480 -0.001 0.000 0.259 65 M C 2.529 178.831 176.300 0.003 0.000 1.069 65 M CA 1.896 57.158 55.300 -0.064 0.000 1.110 65 M CB -1.273 31.310 32.600 -0.028 0.000 1.328 65 M HN 0.349 nan 8.290 nan 0.000 0.405 66 R N 0.525 121.021 120.500 -0.007 0.000 2.091 66 R HA -0.176 4.163 4.340 -0.001 0.000 0.238 66 R C 1.979 178.215 176.300 -0.106 0.000 1.136 66 R CA 1.841 57.870 56.100 -0.120 0.000 0.959 66 R CB -0.128 29.834 30.300 -0.564 0.000 0.856 66 R HN 0.445 nan 8.270 nan 0.000 0.437 67 E N -0.179 119.960 120.200 -0.103 0.000 2.130 67 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 67 E C 1.691 178.261 176.600 -0.050 0.000 0.998 67 E CA 1.198 57.554 56.400 -0.074 0.000 0.806 67 E CB 0.064 29.725 29.700 -0.064 0.000 0.738 67 E HN 0.387 nan 8.360 nan 0.000 0.459 68 Q N -0.897 118.878 119.800 -0.042 0.000 2.365 68 Q HA 0.061 4.401 4.340 -0.001 0.000 0.203 68 Q C 0.993 176.986 176.000 -0.012 0.000 0.929 68 Q CA 0.737 56.522 55.803 -0.029 0.000 0.948 68 Q CB 1.239 29.954 28.738 -0.038 0.000 1.043 68 Q HN 0.444 nan 8.270 nan 0.000 0.505 69 G N 0.393 109.190 108.800 -0.006 0.000 2.143 69 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.249 69 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.249 69 G C 0.188 175.115 174.900 0.045 0.000 0.981 69 G CA 0.217 45.324 45.100 0.011 0.000 0.665 69 G HN 0.240 nan 8.290 nan 0.000 0.528 70 V N 1.101 121.053 119.914 0.063 0.000 2.546 70 V HA 0.428 4.547 4.120 -0.001 0.000 0.284 70 V C 0.960 177.159 176.094 0.175 0.000 1.050 70 V CA -0.096 62.257 62.300 0.088 0.000 0.981 70 V CB 1.440 33.295 31.823 0.053 0.000 0.990 70 V HN 0.381 nan 8.190 nan 0.000 0.474 71 K N 2.673 123.135 120.400 0.103 0.000 2.520 71 K HA 0.779 5.099 4.320 -0.001 0.000 0.256 71 K C -0.999 175.525 176.600 -0.126 0.000 1.033 71 K CA -0.684 55.617 56.287 0.024 0.000 1.007 71 K CB 1.545 34.041 32.500 -0.007 0.000 1.330 71 K HN 0.379 nan 8.250 nan 0.000 0.507 72 V N 0.590 120.296 119.914 -0.346 0.000 2.888 72 V HA 0.178 4.298 4.120 -0.001 0.000 0.309 72 V C -1.901 174.011 176.094 -0.303 0.000 1.114 72 V CA -0.702 61.399 62.300 -0.331 0.000 0.940 72 V CB 2.165 33.661 31.823 -0.545 0.000 1.021 72 V HN 0.734 nan 8.190 nan 0.000 0.426 73 D N 3.118 123.349 120.400 -0.283 0.000 2.233 73 D HA 0.560 5.200 4.640 -0.001 0.000 0.240 73 D C -0.509 175.624 176.300 -0.277 0.000 1.074 73 D CA 0.267 54.085 54.000 -0.303 0.000 0.838 73 D CB 1.775 42.371 40.800 -0.341 0.000 1.124 73 D HN 0.497 nan 8.370 nan 0.000 0.475 74 S N 1.737 117.305 115.700 -0.220 0.000 2.489 74 S HA 0.327 4.796 4.470 -0.001 0.000 0.291 74 S C 0.910 175.372 174.600 -0.230 0.000 1.151 74 S CA -0.783 57.336 58.200 -0.135 0.000 1.082 74 S CB 1.591 64.810 63.200 0.032 0.000 1.019 74 S HN 0.452 nan 8.310 nan 0.000 0.492 75 V N 0.343 120.141 119.914 -0.195 0.000 3.427 75 V HA 0.467 4.586 4.120 -0.001 0.000 0.305 75 V C 0.248 176.327 176.094 -0.025 0.000 1.412 75 V CA 0.098 62.217 62.300 -0.303 0.000 1.086 75 V CB -0.709 30.966 31.823 -0.246 0.000 0.964 75 V HN 0.742 nan 8.190 nan 0.000 0.439 76 S N -0.974 114.864 115.700 0.229 0.000 2.643 76 S HA 0.549 5.018 4.470 -0.001 0.000 0.270 76 S C -0.026 174.712 174.600 0.229 0.000 1.166 76 S CA -0.035 58.351 58.200 0.310 0.000 0.815 76 S CB 1.914 65.186 63.200 0.121 0.000 1.139 76 S HN 0.211 nan 8.310 nan 0.000 0.472 77 L N 1.980 123.256 121.223 0.088 0.000 2.083 77 L HA 0.239 4.579 4.340 -0.001 0.000 0.209 77 L C 2.307 179.186 176.870 0.015 0.000 1.083 77 L CA 2.755 57.590 54.840 -0.008 0.000 0.752 77 L CB -1.333 40.697 42.059 -0.049 0.000 0.899 77 L HN 1.022 nan 8.230 nan 0.000 0.433 78 G N -1.210 107.606 108.800 0.027 0.000 2.418 78 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 78 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 78 G C 1.467 176.377 174.900 0.018 0.000 1.158 78 G CA 0.777 45.889 45.100 0.019 0.000 0.771 78 G HN 0.532 nan 8.290 nan 0.000 0.545 79 E N -0.128 120.088 120.200 0.026 0.000 2.152 79 E HA -0.002 4.348 4.350 -0.001 0.000 0.192 79 E C 2.496 179.105 176.600 0.015 0.000 0.983 79 E CA 0.207 56.611 56.400 0.007 0.000 0.818 79 E CB -0.083 29.607 29.700 -0.018 0.000 0.758 79 E HN 0.489 nan 8.360 nan 0.000 0.467 80 I N 1.570 122.164 120.570 0.040 0.000 2.163 80 I HA -0.265 3.905 4.170 -0.001 0.000 0.243 80 I C 2.267 178.397 176.117 0.022 0.000 1.085 80 I CA 1.042 62.361 61.300 0.031 0.000 1.347 80 I CB -0.184 37.828 38.000 0.019 0.000 1.044 80 I HN 0.031 nan 8.210 nan 0.000 0.408 81 E N 0.752 120.961 120.200 0.015 0.000 2.150 81 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 81 E C 2.257 178.868 176.600 0.018 0.000 0.985 81 E CA 0.990 57.398 56.400 0.013 0.000 0.814 81 E CB -0.278 29.425 29.700 0.005 0.000 0.752 81 E HN 0.503 nan 8.360 nan 0.000 0.466 82 R N 0.558 121.068 120.500 0.016 0.000 2.075 82 R HA -0.033 4.307 4.340 -0.001 0.000 0.232 82 R C 2.378 178.709 176.300 0.052 0.000 1.126 82 R CA 1.226 57.335 56.100 0.016 0.000 0.963 82 R CB -0.328 29.976 30.300 0.006 0.000 0.858 82 R HN 0.122 nan 8.270 nan 0.000 0.435 83 A N 1.234 124.094 122.820 0.068 0.000 1.902 83 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 83 A C 2.169 179.885 177.584 0.221 0.000 1.181 83 A CA 1.190 53.326 52.037 0.166 0.000 0.623 83 A CB -0.538 18.476 19.000 0.024 0.000 0.818 83 A HN 0.177 nan 8.150 nan 0.000 0.443 84 L N -0.864 120.429 121.223 0.116 0.000 2.083 84 L HA -0.167 4.173 4.340 -0.001 0.000 0.209 84 L C 2.989 179.888 176.870 0.049 0.000 1.083 84 L CA 1.005 55.898 54.840 0.088 0.000 0.752 84 L CB -0.528 41.563 42.059 0.052 0.000 0.899 84 L HN 0.423 nan 8.230 nan 0.000 0.433 85 A N -0.030 122.806 122.820 0.026 0.000 2.067 85 A HA 0.011 4.330 4.320 -0.001 0.000 0.219 85 A C 2.306 179.863 177.584 -0.044 0.000 1.158 85 A CA 1.348 53.376 52.037 -0.016 0.000 0.661 85 A CB -0.447 18.533 19.000 -0.032 0.000 0.801 85 A HN 0.373 nan 8.150 nan 0.000 0.452 86 A N -1.886 120.925 122.820 -0.015 0.000 2.251 86 A HA 0.431 4.750 4.320 -0.001 0.000 0.209 86 A C 1.677 179.176 177.584 -0.142 0.000 1.187 86 A CA 1.125 53.122 52.037 -0.068 0.000 0.823 86 A CB -0.755 18.253 19.000 0.015 0.000 0.846 86 A HN 1.762 nan 8.150 nan 0.000 0.486 87 G N -2.293 106.456 108.800 -0.086 0.000 2.176 87 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.232 87 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.232 87 G C 0.062 174.886 174.900 -0.126 0.000 0.986 87 G CA 0.072 45.103 45.100 -0.114 0.000 0.643 87 G HN 0.419 nan 8.290 nan 0.000 0.522 88 Y N 0.620 120.930 120.300 0.017 0.000 2.457 88 Y HA 0.467 5.016 4.550 -0.001 0.000 0.341 88 Y C 0.939 176.866 175.900 0.045 0.000 1.240 88 Y CA 0.612 58.736 58.100 0.040 0.000 1.437 88 Y CB 0.713 39.193 38.460 0.033 0.000 1.328 88 Y HN 0.179 nan 8.280 nan 0.000 0.588 89 N N 3.090 121.931 118.700 0.235 0.000 2.571 89 N HA 0.224 4.964 4.740 -0.001 0.000 0.286 89 N C -2.593 172.987 175.510 0.117 0.000 1.138 89 N CA -2.086 51.043 53.050 0.130 0.000 0.859 89 N CB 1.832 40.365 38.487 0.077 0.000 1.414 89 N HN 0.125 nan 8.380 nan 0.000 0.529 90 P HA -0.120 nan 4.420 nan 0.000 0.223 90 P C 1.111 178.428 177.300 0.027 0.000 1.151 90 P CA 1.001 64.144 63.100 0.070 0.000 0.787 90 P CB 0.424 32.160 31.700 0.060 0.000 0.788 91 Q N 0.752 120.553 119.800 0.002 0.000 2.046 91 Q HA -0.117 4.222 4.340 -0.001 0.000 0.200 91 Q C 1.784 177.739 176.000 -0.075 0.000 0.975 91 Q CA 2.460 58.247 55.803 -0.027 0.000 0.836 91 Q CB -1.374 27.349 28.738 -0.026 0.000 0.896 91 Q HN 0.235 nan 8.270 nan 0.000 0.428 92 T N -2.293 112.175 114.554 -0.145 0.000 2.976 92 T HA 0.023 4.372 4.350 -0.001 0.000 0.257 92 T C 0.469 174.867 174.700 -0.503 0.000 1.051 92 T CA 0.399 62.291 62.100 -0.347 0.000 1.141 92 T CB -0.039 68.537 68.868 -0.486 0.000 0.881 92 T HN 0.328 nan 8.240 nan 0.000 0.461 93 H N 1.407 120.506 119.070 0.048 0.000 2.791 93 H HA 0.355 4.910 4.556 -0.001 0.000 0.272 93 H C -2.343 173.024 175.328 0.065 0.000 1.188 93 H CA -2.389 53.695 56.048 0.060 0.000 1.436 93 H CB 1.741 31.550 29.762 0.079 0.000 1.467 93 H HN 0.179 nan 8.280 nan 0.000 0.500 94 P HA -0.068 nan 4.420 nan 0.000 0.223 94 P C 0.663 178.033 177.300 0.117 0.000 1.151 94 P CA 1.055 64.213 63.100 0.098 0.000 0.787 94 P CB 0.580 32.317 31.700 0.062 0.000 0.788 95 D N -1.546 118.938 120.400 0.140 0.000 2.402 95 D HA 0.017 4.656 4.640 -0.001 0.000 0.216 95 D C 0.563 176.921 176.300 0.098 0.000 1.128 95 D CA 0.204 54.285 54.000 0.136 0.000 0.833 95 D CB 0.051 40.951 40.800 0.166 0.000 0.971 95 D HN 0.091 nan 8.370 nan 0.000 0.503 96 D N 0.417 120.887 120.400 0.117 0.000 2.269 96 D HA 0.059 4.699 4.640 -0.001 0.000 0.208 96 D C 0.594 176.842 176.300 -0.087 0.000 0.963 96 D CA 0.720 54.773 54.000 0.088 0.000 0.864 96 D CB 0.727 41.690 40.800 0.271 0.000 0.936 96 D HN 0.298 nan 8.370 nan 0.000 0.505 97 I N 0.536 121.077 120.570 -0.049 0.000 2.436 97 I HA 0.251 4.421 4.170 -0.001 0.000 0.289 97 I C -0.786 175.301 176.117 -0.050 0.000 1.010 97 I CA -0.841 60.391 61.300 -0.114 0.000 1.098 97 I CB 2.697 40.659 38.000 -0.063 0.000 1.266 97 I HN -0.404 nan 8.210 nan 0.000 0.434 98 V N 6.017 125.861 119.914 -0.115 0.000 2.459 98 V HA 0.335 4.454 4.120 -0.001 0.000 0.295 98 V C -0.659 175.381 176.094 -0.091 0.000 1.029 98 V CA -0.687 61.544 62.300 -0.114 0.000 0.874 98 V CB 1.941 33.573 31.823 -0.318 0.000 0.985 98 V HN 0.469 nan 8.190 nan 0.000 0.438 99 F N 4.003 123.883 119.950 -0.118 0.000 2.391 99 F HA 0.608 5.134 4.527 -0.001 0.000 0.359 99 F C 0.288 176.002 175.800 -0.144 0.000 1.122 99 F CA 0.097 58.028 58.000 -0.115 0.000 1.120 99 F CB 0.952 39.916 39.000 -0.061 0.000 1.142 99 F HN 0.475 nan 8.300 nan 0.000 0.483 100 T N 5.968 119.937 114.554 -0.974 0.000 2.812 100 T HA 0.868 5.217 4.350 -0.001 0.000 0.282 100 T C -0.728 173.476 174.700 -0.827 0.000 0.990 100 T CA -0.448 61.192 62.100 -0.766 0.000 0.960 100 T CB 1.225 69.730 68.868 -0.606 0.000 0.948 100 T HN 0.902 nan 8.240 nan 0.000 0.438 101 A N 2.098 124.594 122.820 -0.539 0.000 2.515 101 A HA 0.606 4.926 4.320 -0.001 0.000 0.292 101 A C -0.616 176.917 177.584 -0.086 0.000 1.065 101 A CA -0.668 51.190 52.037 -0.299 0.000 0.641 101 A CB 0.564 19.371 19.000 -0.321 0.000 1.306 101 A HN 0.593 nan 8.150 nan 0.000 0.441 102 D N -0.539 119.868 120.400 0.012 0.000 2.367 102 D HA 0.289 4.929 4.640 -0.001 0.000 0.207 102 D C 0.097 176.432 176.300 0.059 0.000 1.034 102 D CA 1.008 55.043 54.000 0.058 0.000 0.861 102 D CB 0.955 41.807 40.800 0.087 0.000 0.943 102 D HN 0.229 nan 8.370 nan 0.000 0.515 103 V N 0.928 120.884 119.914 0.070 0.000 3.007 103 V HA 0.478 4.598 4.120 -0.001 0.000 0.311 103 V C -0.921 175.263 176.094 0.149 0.000 1.120 103 V CA -0.910 61.441 62.300 0.085 0.000 0.980 103 V CB 3.445 35.307 31.823 0.065 0.000 1.033 103 V HN -0.125 nan 8.190 nan 0.000 0.429 104 I N 2.554 123.193 120.570 0.114 0.000 2.619 104 I HA 0.515 4.685 4.170 -0.001 0.000 0.292 104 I C -1.379 174.750 176.117 0.020 0.000 1.100 104 I CA -0.390 60.970 61.300 0.101 0.000 1.043 104 I CB 2.152 40.197 38.000 0.077 0.000 1.239 104 I HN 0.908 nan 8.210 nan 0.000 0.420 105 D N 4.602 124.995 120.400 -0.013 0.000 2.440 105 D HA 0.198 4.838 4.640 -0.001 0.000 0.258 105 D C 0.557 176.821 176.300 -0.060 0.000 1.092 105 D CA -0.421 53.564 54.000 -0.026 0.000 1.016 105 D CB 0.901 41.693 40.800 -0.014 0.000 1.141 105 D HN 0.439 nan 8.370 nan 0.000 0.552 106 Q N 0.605 120.377 119.800 -0.047 0.000 2.045 106 Q HA -0.167 4.173 4.340 -0.001 0.000 0.206 106 Q C 1.943 177.901 176.000 -0.070 0.000 0.991 106 Q CA 2.856 58.626 55.803 -0.054 0.000 0.851 106 Q CB -0.940 27.777 28.738 -0.036 0.000 0.911 106 Q HN 0.637 nan 8.270 nan 0.000 0.418 107 A N -0.974 121.806 122.820 -0.066 0.000 1.933 107 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 107 A C 2.288 179.802 177.584 -0.116 0.000 1.175 107 A CA 2.009 54.002 52.037 -0.073 0.000 0.628 107 A CB -0.953 18.015 19.000 -0.055 0.000 0.814 107 A HN 0.517 nan 8.150 nan 0.000 0.444 108 T N 0.255 114.710 114.554 -0.164 0.000 2.812 108 T HA -0.023 4.326 4.350 -0.001 0.000 0.264 108 T C 1.805 176.323 174.700 -0.303 0.000 1.042 108 T CA 1.240 63.162 62.100 -0.297 0.000 1.140 108 T CB -0.341 68.256 68.868 -0.451 0.000 0.870 108 T HN 0.349 nan 8.240 nan 0.000 0.445 109 L N 0.762 121.853 121.223 -0.221 0.000 2.012 109 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 109 L C 2.720 179.506 176.870 -0.139 0.000 1.073 109 L CA 1.581 56.312 54.840 -0.183 0.000 0.748 109 L CB -0.488 41.493 42.059 -0.130 0.000 0.891 109 L HN 0.334 nan 8.230 nan 0.000 0.431 110 E N -0.784 119.352 120.200 -0.107 0.000 2.072 110 E HA -0.246 4.104 4.350 -0.001 0.000 0.191 110 E C 2.244 178.804 176.600 -0.067 0.000 0.985 110 E CA 0.832 57.190 56.400 -0.072 0.000 0.801 110 E CB -0.008 29.659 29.700 -0.056 0.000 0.750 110 E HN 0.193 nan 8.360 nan 0.000 0.452 111 R N 0.847 121.290 120.500 -0.094 0.000 2.066 111 R HA -0.114 4.226 4.340 -0.001 0.000 0.232 111 R C 2.365 178.625 176.300 -0.067 0.000 1.131 111 R CA 1.412 57.464 56.100 -0.081 0.000 0.955 111 R CB -0.647 29.592 30.300 -0.102 0.000 0.851 111 R HN 0.236 nan 8.270 nan 0.000 0.432 112 V N -2.014 117.831 119.914 -0.114 0.000 2.515 112 V HA -0.103 4.017 4.120 -0.001 0.000 0.250 112 V C 1.825 177.980 176.094 0.101 0.000 1.058 112 V CA 2.081 64.361 62.300 -0.035 0.000 1.064 112 V CB -0.575 31.182 31.823 -0.109 0.000 0.675 112 V HN 0.197 nan 8.190 nan 0.000 0.461 113 S N 0.259 115.982 115.700 0.037 0.000 2.355 113 S HA -0.185 4.285 4.470 -0.001 0.000 0.222 113 S C 1.954 176.604 174.600 0.083 0.000 1.031 113 S CA 1.731 59.996 58.200 0.109 0.000 0.993 113 S CB -0.402 62.813 63.200 0.025 0.000 0.859 113 S HN 0.861 nan 8.310 nan 0.000 0.453 114 E N 0.985 121.204 120.200 0.032 0.000 2.058 114 E HA -0.136 4.213 4.350 -0.001 0.000 0.194 114 E C 1.568 178.183 176.600 0.024 0.000 0.997 114 E CA 1.037 57.448 56.400 0.018 0.000 0.801 114 E CB -0.107 29.593 29.700 0.000 0.000 0.746 114 E HN 0.435 nan 8.360 nan 0.000 0.450 115 L N 0.112 121.353 121.223 0.031 0.000 2.585 115 L HA 0.071 4.411 4.340 -0.001 0.000 0.226 115 L C 0.223 177.114 176.870 0.036 0.000 1.113 115 L CA -0.083 54.774 54.840 0.028 0.000 0.876 115 L CB 0.347 42.422 42.059 0.026 0.000 1.072 115 L HN 0.109 nan 8.230 nan 0.000 0.468 116 Q N 0.747 120.583 119.800 0.060 0.000 2.460 116 Q HA -0.168 4.171 4.340 -0.001 0.000 0.311 116 Q C -0.355 175.661 176.000 0.027 0.000 1.396 116 Q CA 0.895 56.703 55.803 0.008 0.000 0.838 116 Q CB -1.960 26.744 28.738 -0.057 0.000 1.140 116 Q HN 0.461 nan 8.270 nan 0.000 0.415 117 I N 1.884 122.531 120.570 0.129 0.000 2.352 117 I HA 0.129 4.299 4.170 -0.001 0.000 0.290 117 I C -1.703 174.582 176.117 0.280 0.000 1.036 117 I CA -1.870 59.520 61.300 0.150 0.000 1.336 117 I CB 0.829 38.903 38.000 0.123 0.000 1.407 117 I HN -0.081 nan 8.210 nan 0.000 0.497 118 P HA -0.017 nan 4.420 nan 0.000 0.264 118 P C -0.762 176.732 177.300 0.322 0.000 1.183 118 P CA 0.060 63.331 63.100 0.284 0.000 0.763 118 P CB 0.446 32.312 31.700 0.275 0.000 0.807 119 V N 3.754 123.894 119.914 0.376 0.000 2.417 119 V HA 0.279 4.398 4.120 -0.001 0.000 0.291 119 V C 0.371 176.600 176.094 0.224 0.000 1.024 119 V CA -0.548 61.921 62.300 0.281 0.000 0.861 119 V CB 1.397 33.349 31.823 0.214 0.000 0.985 119 V HN 0.488 nan 8.190 nan 0.000 0.436 120 N N 4.344 123.076 118.700 0.054 0.000 2.558 120 N HA 0.401 5.141 4.740 -0.001 0.000 0.233 120 N C -0.162 175.329 175.510 -0.032 0.000 1.038 120 N CA -0.219 52.820 53.050 -0.018 0.000 0.934 120 N CB 1.329 39.611 38.487 -0.341 0.000 1.175 120 N HN 0.805 nan 8.380 nan 0.000 0.512 121 A N 2.055 124.915 122.820 0.066 0.000 2.366 121 A HA 0.549 4.869 4.320 -0.001 0.000 0.272 121 A C 1.149 178.762 177.584 0.049 0.000 1.135 121 A CA -0.232 51.842 52.037 0.061 0.000 0.804 121 A CB 0.325 19.380 19.000 0.093 0.000 1.064 121 A HN 0.701 nan 8.150 nan 0.000 0.499 122 G N 0.943 109.768 108.800 0.041 0.000 3.277 122 G HA2 0.432 4.392 3.960 -0.001 0.000 0.243 122 G HA3 0.432 4.392 3.960 -0.001 0.000 0.243 122 G C 0.096 175.046 174.900 0.083 0.000 1.107 122 G CA 0.323 45.463 45.100 0.067 0.000 0.771 122 G HN 0.667 nan 8.290 nan 0.000 0.544 123 S N -1.030 114.715 115.700 0.074 0.000 2.546 123 S HA 0.288 4.758 4.470 -0.001 0.000 0.274 123 S C 0.929 175.573 174.600 0.073 0.000 1.121 123 S CA -0.547 57.697 58.200 0.074 0.000 0.887 123 S CB 2.226 65.463 63.200 0.062 0.000 1.094 123 S HN -0.136 nan 8.310 nan 0.000 0.474 124 V N 1.771 121.730 119.914 0.074 0.000 2.392 124 V HA -0.177 3.943 4.120 -0.001 0.000 0.249 124 V C 1.814 177.953 176.094 0.074 0.000 1.059 124 V CA 1.991 64.338 62.300 0.078 0.000 1.051 124 V CB -0.492 31.376 31.823 0.076 0.000 0.658 124 V HN 0.782 nan 8.190 nan 0.000 0.455 125 D N -0.462 119.975 120.400 0.061 0.000 2.104 125 D HA -0.227 4.413 4.640 -0.001 0.000 0.194 125 D C 2.078 178.407 176.300 0.049 0.000 0.994 125 D CA 1.783 55.815 54.000 0.053 0.000 0.830 125 D CB -0.304 40.520 40.800 0.040 0.000 0.959 125 D HN 0.432 nan 8.370 nan 0.000 0.452 126 M N -0.113 119.518 119.600 0.051 0.000 2.159 126 M HA -0.167 4.312 4.480 -0.001 0.000 0.263 126 M C 1.967 178.293 176.300 0.043 0.000 1.063 126 M CA 1.130 56.459 55.300 0.048 0.000 1.110 126 M CB 0.005 32.645 32.600 0.067 0.000 1.374 126 M HN 0.029 nan 8.290 nan 0.000 0.411 127 L N 0.900 122.162 121.223 0.064 0.000 2.083 127 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 127 L C 1.790 178.701 176.870 0.068 0.000 1.083 127 L CA 2.204 57.090 54.840 0.077 0.000 0.752 127 L CB -0.750 41.374 42.059 0.109 0.000 0.899 127 L HN 0.379 nan 8.230 nan 0.000 0.433 128 D N -1.433 119.018 120.400 0.085 0.000 2.117 128 D HA -0.201 4.439 4.640 -0.001 0.000 0.198 128 D C 2.153 178.420 176.300 -0.056 0.000 0.982 128 D CA 1.169 55.230 54.000 0.101 0.000 0.828 128 D CB 0.090 40.979 40.800 0.148 0.000 0.967 128 D HN 0.443 nan 8.370 nan 0.000 0.464 129 Q N -0.561 119.219 119.800 -0.034 0.000 2.084 129 Q HA -0.110 4.230 4.340 -0.001 0.000 0.202 129 Q C 2.103 178.029 176.000 -0.123 0.000 0.978 129 Q CA 0.915 56.678 55.803 -0.066 0.000 0.844 129 Q CB -0.125 28.594 28.738 -0.031 0.000 0.898 129 Q HN 0.299 nan 8.270 nan 0.000 0.426 130 L N 0.265 121.416 121.223 -0.120 0.000 2.027 130 L HA -0.031 4.308 4.340 -0.001 0.000 0.206 130 L C 2.077 178.824 176.870 -0.205 0.000 1.074 130 L CA 2.339 57.078 54.840 -0.167 0.000 0.745 130 L CB -1.044 40.921 42.059 -0.158 0.000 0.898 130 L HN 0.167 nan 8.230 nan 0.000 0.433 131 G N -1.397 107.243 108.800 -0.267 0.000 2.418 131 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.217 131 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.217 131 G C 1.518 176.023 174.900 -0.659 0.000 1.158 131 G CA 0.841 45.680 45.100 -0.436 0.000 0.771 131 G HN 0.483 nan 8.290 nan 0.000 0.545 132 Q N 0.265 119.632 119.800 -0.721 0.000 2.124 132 Q HA -0.081 4.259 4.340 -0.001 0.000 0.202 132 Q C 2.580 178.498 176.000 -0.138 0.000 0.977 132 Q CA 1.943 57.542 55.803 -0.341 0.000 0.850 132 Q CB -0.204 28.439 28.738 -0.160 0.000 0.901 132 Q HN 0.506 nan 8.270 nan 0.000 0.429 133 V N -3.881 115.955 119.914 -0.129 0.000 3.471 133 V HA 0.303 4.422 4.120 -0.001 0.000 0.258 133 V C 0.718 176.789 176.094 -0.038 0.000 1.192 133 V CA 0.752 63.012 62.300 -0.067 0.000 1.116 133 V CB 0.745 32.528 31.823 -0.067 0.000 0.792 133 V HN 0.173 nan 8.190 nan 0.000 0.459 134 S N 2.609 118.285 115.700 -0.040 0.000 2.317 134 S HA 0.493 4.963 4.470 -0.001 0.000 0.144 134 S C -2.833 171.823 174.600 0.093 0.000 1.660 134 S CA -1.027 57.205 58.200 0.052 0.000 1.273 134 S CB 0.571 63.836 63.200 0.108 0.000 1.330 134 S HN 0.439 nan 8.310 nan 0.000 0.395 135 P HA 0.256 nan 4.420 nan 0.000 0.265 135 P C 1.007 178.387 177.300 0.134 0.000 1.193 135 P CA 1.229 64.405 63.100 0.126 0.000 0.765 135 P CB 0.361 32.127 31.700 0.110 0.000 0.823 136 G N 0.926 109.834 108.800 0.180 0.000 2.148 136 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.254 136 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.254 136 G C 0.266 175.244 174.900 0.129 0.000 0.981 136 G CA 0.307 45.496 45.100 0.149 0.000 0.670 136 G HN 0.802 nan 8.290 nan 0.000 0.528 137 H N 0.642 119.757 119.070 0.075 0.000 2.929 137 H HA 0.459 5.015 4.556 -0.001 0.000 0.358 137 H C 1.165 176.540 175.328 0.079 0.000 1.111 137 H CA 0.436 56.523 56.048 0.066 0.000 1.409 137 H CB 0.390 30.187 29.762 0.057 0.000 1.373 137 H HN 0.366 nan 8.280 nan 0.000 0.610 138 R N 3.129 123.571 120.500 -0.097 0.000 2.234 138 R HA 0.308 4.648 4.340 -0.001 0.000 0.324 138 R C -0.798 175.634 176.300 0.221 0.000 1.054 138 R CA -0.509 55.617 56.100 0.044 0.000 0.912 138 R CB 0.589 30.877 30.300 -0.019 0.000 1.030 138 R HN 0.416 nan 8.270 nan 0.000 0.455 139 V N -0.224 119.809 119.914 0.198 0.000 3.001 139 V HA 0.682 4.802 4.120 -0.001 0.000 0.314 139 V C -1.105 175.116 176.094 0.213 0.000 1.099 139 V CA -1.221 61.239 62.300 0.266 0.000 0.989 139 V CB 1.773 33.733 31.823 0.228 0.000 1.040 139 V HN 0.632 nan 8.190 nan 0.000 0.434 140 W N 1.087 122.428 121.300 0.069 0.000 2.647 140 W HA 0.841 5.501 4.660 -0.000 0.000 0.353 140 W C -0.691 175.849 176.519 0.034 0.000 1.080 140 W CA -0.872 56.500 57.345 0.046 0.000 1.208 140 W CB 1.663 31.119 29.460 -0.006 0.000 1.396 140 W HN 0.524 nan 8.180 nan 0.000 0.573 141 L N 2.752 124.139 121.223 0.274 0.000 2.319 141 L HA 0.483 4.823 4.340 -0.001 0.000 0.281 141 L C 0.207 177.183 176.870 0.178 0.000 1.005 141 L CA -1.065 53.866 54.840 0.152 0.000 0.828 141 L CB 1.440 43.519 42.059 0.033 0.000 1.227 141 L HN 0.355 nan 8.230 nan 0.000 0.415 142 R N 3.183 123.769 120.500 0.143 0.000 2.234 142 R HA 0.495 4.834 4.340 -0.001 0.000 0.324 142 R C -1.253 175.119 176.300 0.120 0.000 1.054 142 R CA -0.412 55.810 56.100 0.205 0.000 0.912 142 R CB 1.066 31.483 30.300 0.195 0.000 1.030 142 R HN 0.400 nan 8.270 nan 0.000 0.455 143 V N 5.014 124.980 119.914 0.086 0.000 2.435 143 V HA 0.165 4.285 4.120 -0.001 0.000 0.290 143 V C 0.032 176.116 176.094 -0.017 0.000 1.030 143 V CA -0.974 61.333 62.300 0.011 0.000 0.881 143 V CB 1.458 33.254 31.823 -0.045 0.000 0.983 143 V HN 0.730 nan 8.190 nan 0.000 0.445 144 N N 7.170 125.869 118.700 -0.001 0.000 2.414 144 N HA 0.284 5.023 4.740 -0.001 0.000 0.256 144 N C -1.746 173.611 175.510 -0.255 0.000 1.029 144 N CA -1.909 51.109 53.050 -0.054 0.000 0.948 144 N CB 2.029 40.607 38.487 0.153 0.000 1.102 144 N HN 0.349 nan 8.380 nan 0.000 0.496 145 P HA 0.174 nan 4.420 nan 0.000 0.249 145 P C 0.452 177.307 177.300 -0.741 0.000 1.229 145 P CA 0.444 63.193 63.100 -0.586 0.000 0.788 145 P CB 0.286 31.626 31.700 -0.600 0.000 1.072 146 G N -0.070 108.361 108.800 -0.617 0.000 2.179 146 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.220 146 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.220 146 G C -0.146 174.844 174.900 0.151 0.000 0.990 146 G CA -0.004 44.871 45.100 -0.374 0.000 0.646 146 G HN 0.488 nan 8.290 nan 0.000 0.517 147 F N -1.562 118.360 119.950 -0.046 0.000 2.654 147 F HA 0.812 5.338 4.527 -0.001 0.000 0.308 147 F C 0.478 176.324 175.800 0.078 0.000 1.108 147 F CA -0.625 57.401 58.000 0.043 0.000 0.957 147 F CB 0.636 39.632 39.000 -0.007 0.000 1.309 147 F HN 0.426 nan 8.300 nan 0.000 0.446 148 G N -0.129 108.822 108.800 0.252 0.000 3.099 148 G HA2 0.511 4.471 3.960 -0.001 0.000 0.151 148 G HA3 0.511 4.471 3.960 -0.001 0.000 0.151 148 G C -1.937 173.213 174.900 0.416 0.000 1.265 148 G CA -0.512 44.704 45.100 0.194 0.000 0.981 148 G HN 0.914 nan 8.290 nan 0.000 0.601 149 H N -1.653 117.477 119.070 0.100 0.000 2.806 149 H HA 0.565 5.121 4.556 -0.001 0.000 0.367 149 H C 0.418 175.699 175.328 -0.077 0.000 1.136 149 H CA 0.495 56.511 56.048 -0.053 0.000 1.178 149 H CB 1.321 30.911 29.762 -0.287 0.000 1.718 149 H HN 1.482 nan 8.280 nan 0.000 0.540 150 G N 2.094 110.658 108.800 -0.394 0.000 2.681 150 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.220 150 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.220 150 G C -0.917 173.849 174.900 -0.222 0.000 1.353 150 G CA -0.370 44.480 45.100 -0.418 0.000 0.872 150 G HN 0.915 nan 8.290 nan 0.000 0.557 151 H N 0.289 119.326 119.070 -0.055 0.000 3.157 151 H HA 0.224 4.780 4.556 -0.001 0.000 0.299 151 H C 1.515 176.852 175.328 0.017 0.000 0.961 151 H CA 0.950 56.990 56.048 -0.014 0.000 1.428 151 H CB 0.619 30.373 29.762 -0.013 0.000 1.459 151 H HN 0.456 nan 8.280 nan 0.000 0.566 152 S N 2.641 118.425 115.700 0.140 0.000 2.548 152 S HA -0.035 4.434 4.470 -0.001 0.000 0.215 152 S C 1.784 176.446 174.600 0.103 0.000 0.976 152 S CA -0.012 58.260 58.200 0.120 0.000 0.908 152 S CB 0.315 63.589 63.200 0.124 0.000 0.781 152 S HN 0.587 nan 8.310 nan 0.000 0.519 153 Q N 1.151 121.006 119.800 0.092 0.000 2.172 153 Q HA 0.074 4.413 4.340 -0.001 0.000 0.200 153 Q C 0.326 176.358 176.000 0.053 0.000 0.964 153 Q CA 0.758 56.596 55.803 0.059 0.000 0.855 153 Q CB 0.047 28.807 28.738 0.036 0.000 0.918 153 Q HN 0.490 nan 8.270 nan 0.000 0.444 154 K N 1.492 121.935 120.400 0.072 0.000 2.107 154 K HA 0.126 4.446 4.320 -0.001 0.000 0.251 154 K C 0.112 176.748 176.600 0.060 0.000 1.012 154 K CA -0.190 56.134 56.287 0.062 0.000 0.920 154 K CB 0.552 33.101 32.500 0.082 0.000 1.033 154 K HN 0.041 nan 8.250 nan 0.000 0.478 155 T N 0.077 114.660 114.554 0.048 0.000 2.905 155 T HA 0.006 4.355 4.350 -0.001 0.000 0.299 155 T C 0.104 174.842 174.700 0.064 0.000 1.024 155 T CA -0.396 61.729 62.100 0.042 0.000 1.151 155 T CB 0.169 69.058 68.868 0.035 0.000 0.987 155 T HN 0.463 nan 8.240 nan 0.000 0.535 156 N N 0.573 119.319 118.700 0.075 0.000 2.571 156 N HA 0.354 5.094 4.740 -0.001 0.000 0.273 156 N C 1.019 176.629 175.510 0.166 0.000 1.340 156 N CA -0.318 52.796 53.050 0.106 0.000 0.789 156 N CB 2.310 40.864 38.487 0.111 0.000 1.514 156 N HN 0.768 nan 8.380 nan 0.000 0.499 157 T N -2.441 112.209 114.554 0.160 0.000 3.081 157 T HA 0.347 4.697 4.350 -0.001 0.000 0.255 157 T C 0.847 175.640 174.700 0.155 0.000 1.113 157 T CA 0.322 62.544 62.100 0.203 0.000 1.082 157 T CB 0.068 68.954 68.868 0.029 0.000 0.939 157 T HN 0.511 nan 8.240 nan 0.000 0.506 158 G N -1.208 107.661 108.800 0.114 0.000 2.687 158 G HA2 0.618 4.577 3.960 -0.001 0.000 0.291 158 G HA3 0.618 4.577 3.960 -0.001 0.000 0.291 158 G C -0.115 174.878 174.900 0.155 0.000 1.420 158 G CA -0.205 44.938 45.100 0.072 0.000 0.796 158 G HN 0.941 nan 8.290 nan 0.000 0.485 159 G N -0.692 108.238 108.800 0.216 0.000 2.796 159 G HA2 0.013 3.973 3.960 -0.001 0.000 0.571 159 G HA3 0.013 3.973 3.960 -0.001 0.000 0.571 159 G C 0.780 175.948 174.900 0.448 0.000 1.370 159 G CA 0.789 46.110 45.100 0.368 0.000 0.856 159 G HN 1.516 nan 8.290 nan 0.000 0.538 160 E N -0.669 119.726 120.200 0.326 0.000 2.347 160 E HA -0.028 4.322 4.350 -0.001 0.000 0.196 160 E C 1.004 177.610 176.600 0.009 0.000 1.008 160 E CA 0.912 57.326 56.400 0.023 0.000 0.852 160 E CB -0.016 29.624 29.700 -0.101 0.000 0.783 160 E HN 0.332 nan 8.360 nan 0.000 0.505 161 N N 1.197 119.938 118.700 0.068 0.000 2.455 161 N HA 0.074 4.813 4.740 -0.001 0.000 0.258 161 N C -1.029 174.507 175.510 0.044 0.000 1.158 161 N CA 0.104 53.177 53.050 0.038 0.000 0.893 161 N CB 1.172 39.687 38.487 0.046 0.000 1.173 161 N HN 0.009 nan 8.380 nan 0.000 0.503 162 S N 0.286 116.020 115.700 0.056 0.000 2.526 162 S HA 0.252 4.721 4.470 -0.001 0.000 0.293 162 S C 0.918 175.505 174.600 -0.021 0.000 1.092 162 S CA -0.771 57.450 58.200 0.036 0.000 0.980 162 S CB 1.361 64.642 63.200 0.135 0.000 1.048 162 S HN 0.335 nan 8.310 nan 0.000 0.483 163 K N 2.388 122.687 120.400 -0.169 0.000 2.426 163 K HA 0.115 4.434 4.320 -0.001 0.000 0.193 163 K C -0.242 176.298 176.600 -0.100 0.000 1.028 163 K CA 0.291 56.482 56.287 -0.160 0.000 1.047 163 K CB -0.252 32.110 32.500 -0.229 0.000 0.821 163 K HN 0.688 nan 8.250 nan 0.000 0.513 164 H N 0.825 119.942 119.070 0.078 0.000 2.580 164 H HA 0.357 4.913 4.556 -0.001 0.000 0.322 164 H C 0.459 175.848 175.328 0.102 0.000 1.082 164 H CA 0.443 56.538 56.048 0.079 0.000 1.383 164 H CB 1.344 31.157 29.762 0.084 0.000 1.450 164 H HN 0.476 nan 8.280 nan 0.000 0.505 165 G N 2.021 110.957 108.800 0.227 0.000 2.787 165 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.685 165 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.685 165 G C -0.443 174.557 174.900 0.167 0.000 1.437 165 G CA -0.813 44.389 45.100 0.170 0.000 0.872 165 G HN 0.651 nan 8.290 nan 0.000 0.566 166 I N 1.453 122.099 120.570 0.128 0.000 2.452 166 I HA 0.087 4.257 4.170 -0.001 0.000 0.287 166 I C 1.270 177.496 176.117 0.181 0.000 1.079 166 I CA -0.214 61.166 61.300 0.133 0.000 1.387 166 I CB 0.670 38.709 38.000 0.066 0.000 1.404 166 I HN 0.581 nan 8.210 nan 0.000 0.522 167 W N 7.935 129.255 121.300 0.033 0.000 2.343 167 W HA -0.139 4.521 4.660 -0.000 0.000 0.337 167 W C 0.927 177.462 176.519 0.027 0.000 1.320 167 W CA -0.369 57.006 57.345 0.050 0.000 1.290 167 W CB 0.377 29.835 29.460 -0.004 0.000 1.206 167 W HN 0.710 nan 8.180 nan 0.000 0.565 168 Y N 1.920 121.900 120.300 -0.533 0.000 2.256 168 Y HA -0.277 4.272 4.550 -0.001 0.000 0.288 168 Y C 2.260 178.039 175.900 -0.203 0.000 1.155 168 Y CA 2.145 60.023 58.100 -0.370 0.000 1.203 168 Y CB -1.054 37.148 38.460 -0.430 0.000 0.980 168 Y HN 0.297 nan 8.280 nan 0.000 0.530 169 T N -3.557 110.483 114.554 -0.857 0.000 3.118 169 T HA -0.031 4.318 4.350 -0.001 0.000 0.260 169 T C 0.793 175.459 174.700 -0.056 0.000 1.139 169 T CA 0.776 62.642 62.100 -0.390 0.000 1.085 169 T CB -0.370 68.298 68.868 -0.333 0.000 0.934 169 T HN 0.327 nan 8.240 nan 0.000 0.518 170 D N 0.525 120.944 120.400 0.033 0.000 2.328 170 D HA 0.278 4.917 4.640 -0.001 0.000 0.221 170 D C 1.770 178.102 176.300 0.054 0.000 1.072 170 D CA -0.053 53.992 54.000 0.075 0.000 0.850 170 D CB -0.017 40.859 40.800 0.127 0.000 0.922 170 D HN 0.380 nan 8.370 nan 0.000 0.516 171 L N 0.914 122.148 121.223 0.018 0.000 2.042 171 L HA -0.146 4.193 4.340 -0.001 0.000 0.210 171 L C -0.462 176.538 176.870 0.218 0.000 1.076 171 L CA 1.505 56.356 54.840 0.018 0.000 0.749 171 L CB -1.364 40.625 42.059 -0.116 0.000 0.893 171 L HN 0.051 nan 8.230 nan 0.000 0.432 172 P HA -0.207 nan 4.420 nan 0.000 0.216 172 P C 1.401 178.784 177.300 0.139 0.000 1.153 172 P CA 1.878 65.086 63.100 0.180 0.000 0.858 172 P CB -0.026 31.738 31.700 0.106 0.000 0.789 173 A N -0.198 122.685 122.820 0.106 0.000 1.930 173 A HA -0.069 4.251 4.320 -0.001 0.000 0.217 173 A C 2.311 179.959 177.584 0.106 0.000 1.175 173 A CA 1.899 53.987 52.037 0.085 0.000 0.627 173 A CB -1.555 17.485 19.000 0.067 0.000 0.815 173 A HN 0.189 nan 8.150 nan 0.000 0.443 174 A N -0.331 122.567 122.820 0.130 0.000 1.902 174 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 174 A C 2.118 179.827 177.584 0.208 0.000 1.181 174 A CA 1.762 53.887 52.037 0.148 0.000 0.623 174 A CB -0.618 18.444 19.000 0.104 0.000 0.818 174 A HN 0.698 nan 8.150 nan 0.000 0.443 175 L N 0.185 121.581 121.223 0.289 0.000 2.046 175 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 175 L C 1.626 178.544 176.870 0.081 0.000 1.077 175 L CA 2.524 57.492 54.840 0.214 0.000 0.747 175 L CB -0.745 41.386 42.059 0.120 0.000 0.896 175 L HN 0.339 nan 8.230 nan 0.000 0.432 176 D N -0.702 119.736 120.400 0.062 0.000 2.133 176 D HA -0.188 4.452 4.640 -0.001 0.000 0.195 176 D C 2.330 178.624 176.300 -0.010 0.000 0.997 176 D CA 1.745 55.751 54.000 0.010 0.000 0.840 176 D CB -0.365 40.443 40.800 0.013 0.000 0.947 176 D HN 0.296 nan 8.370 nan 0.000 0.452 177 V N 0.962 120.900 119.914 0.039 0.000 2.358 177 V HA -0.204 3.916 4.120 -0.001 0.000 0.246 177 V C 2.529 178.668 176.094 0.074 0.000 1.047 177 V CA 0.998 63.331 62.300 0.054 0.000 1.035 177 V CB -0.337 31.566 31.823 0.134 0.000 0.658 177 V HN 0.168 nan 8.190 nan 0.000 0.452 178 I N -0.348 120.281 120.570 0.099 0.000 2.163 178 I HA -0.358 3.811 4.170 -0.001 0.000 0.243 178 I C 2.699 178.822 176.117 0.009 0.000 1.085 178 I CA 1.836 63.195 61.300 0.099 0.000 1.347 178 I CB -0.317 37.755 38.000 0.120 0.000 1.044 178 I HN 0.360 nan 8.210 nan 0.000 0.408 179 Q N -0.140 119.625 119.800 -0.058 0.000 2.079 179 Q HA -0.239 4.100 4.340 -0.001 0.000 0.200 179 Q C 2.323 178.167 176.000 -0.260 0.000 0.974 179 Q CA 1.440 57.144 55.803 -0.165 0.000 0.840 179 Q CB -0.220 28.437 28.738 -0.135 0.000 0.898 179 Q HN 0.370 nan 8.270 nan 0.000 0.430 180 R N 0.042 120.407 120.500 -0.226 0.000 2.091 180 R HA -0.165 4.174 4.340 -0.001 0.000 0.238 180 R C 1.118 177.250 176.300 -0.280 0.000 1.136 180 R CA 1.490 57.400 56.100 -0.317 0.000 0.959 180 R CB 0.031 30.054 30.300 -0.462 0.000 0.856 180 R HN 0.395 nan 8.270 nan 0.000 0.437 181 H N -0.938 118.168 119.070 0.060 0.000 2.520 181 H HA 0.123 4.679 4.556 -0.001 0.000 0.284 181 H C -0.254 175.222 175.328 0.248 0.000 1.037 181 H CA 0.170 56.316 56.048 0.163 0.000 1.168 181 H CB 0.145 29.975 29.762 0.114 0.000 1.497 181 H HN 0.401 nan 8.280 nan 0.000 0.547 182 H N -0.210 118.925 119.070 0.108 0.000 2.820 182 H HA -0.145 4.411 4.556 -0.001 0.000 0.295 182 H C 0.098 175.484 175.328 0.096 0.000 1.187 182 H CA 0.253 56.349 56.048 0.080 0.000 1.144 182 H CB -1.898 27.903 29.762 0.065 0.000 1.354 182 H HN 0.301 nan 8.280 nan 0.000 0.395 183 L N 1.176 122.510 121.223 0.185 0.000 2.461 183 L HA 0.028 4.367 4.340 -0.001 0.000 0.272 183 L C 1.123 178.066 176.870 0.121 0.000 1.197 183 L CA 0.675 55.619 54.840 0.172 0.000 0.836 183 L CB 0.389 42.558 42.059 0.182 0.000 1.105 183 L HN 0.156 nan 8.230 nan 0.000 0.477 184 Q N 3.026 122.890 119.800 0.106 0.000 2.398 184 Q HA 0.304 4.644 4.340 -0.001 0.000 0.251 184 Q C -0.808 175.217 176.000 0.042 0.000 0.999 184 Q CA -0.821 55.018 55.803 0.060 0.000 0.874 184 Q CB 1.844 30.605 28.738 0.038 0.000 1.215 184 Q HN 0.343 nan 8.270 nan 0.000 0.470 185 L N 4.188 125.429 121.223 0.030 0.000 2.456 185 L HA 0.010 4.349 4.340 -0.001 0.000 0.277 185 L C 0.388 177.197 176.870 -0.101 0.000 1.124 185 L CA 0.619 55.459 54.840 -0.001 0.000 0.880 185 L CB 0.777 42.869 42.059 0.054 0.000 1.192 185 L HN 0.546 nan 8.230 nan 0.000 0.463 186 V N 4.410 124.180 119.914 -0.240 0.000 2.575 186 V HA 0.448 4.568 4.120 -0.001 0.000 0.242 186 V C 1.079 176.724 176.094 -0.749 0.000 1.045 186 V CA 0.988 63.036 62.300 -0.421 0.000 1.065 186 V CB -0.191 31.363 31.823 -0.448 0.000 0.717 186 V HN 0.918 nan 8.190 nan 0.000 0.467 187 G N -1.029 107.152 108.800 -1.032 0.000 2.559 187 G HA2 0.619 4.579 3.960 -0.001 0.000 0.291 187 G HA3 0.619 4.579 3.960 -0.001 0.000 0.291 187 G C -1.875 172.815 174.900 -0.350 0.000 1.424 187 G CA -0.576 43.878 45.100 -1.077 0.000 0.786 187 G HN -0.012 nan 8.290 nan 0.000 0.485 188 I N 0.494 121.061 120.570 -0.005 0.000 2.545 188 I HA 0.458 4.628 4.170 -0.001 0.000 0.292 188 I C -0.624 175.743 176.117 0.417 0.000 1.040 188 I CA -0.807 60.629 61.300 0.226 0.000 1.068 188 I CB 2.463 40.529 38.000 0.109 0.000 1.251 188 I HN 0.783 nan 8.210 nan 0.000 0.424 189 H N 6.579 125.809 119.070 0.267 0.000 2.768 189 H HA 0.749 5.304 4.556 -0.001 0.000 0.371 189 H C -1.612 173.755 175.328 0.065 0.000 1.151 189 H CA -0.789 55.363 56.048 0.174 0.000 1.165 189 H CB 1.977 31.815 29.762 0.128 0.000 1.722 189 H HN 0.482 nan 8.280 nan 0.000 0.543 190 M N 3.371 122.705 119.600 -0.443 0.000 2.386 190 M HA 0.188 4.668 4.480 -0.001 0.000 0.293 190 M C -1.715 174.264 176.300 -0.534 0.000 1.120 190 M CA -0.687 54.407 55.300 -0.343 0.000 0.909 190 M CB 2.326 34.858 32.600 -0.114 0.000 1.661 190 M HN 0.773 nan 8.290 nan 0.000 0.452 191 H N 3.385 122.227 119.070 -0.380 0.000 2.991 191 H HA 0.483 5.038 4.556 -0.001 0.000 0.304 191 H C -0.870 174.378 175.328 -0.133 0.000 1.040 191 H CA -0.407 55.488 56.048 -0.255 0.000 1.410 191 H CB 0.745 30.400 29.762 -0.180 0.000 1.529 191 H HN 0.637 nan 8.280 nan 0.000 0.509 192 I N 2.636 122.892 120.570 -0.522 0.000 3.739 192 I HA 0.376 4.545 4.170 -0.001 0.000 0.272 192 I C 0.820 176.726 176.117 -0.352 0.000 1.167 192 I CA 1.058 62.160 61.300 -0.331 0.000 1.386 192 I CB -0.302 37.605 38.000 -0.155 0.000 1.490 192 I HN 0.855 nan 8.210 nan 0.000 0.452 193 G N 1.542 110.164 108.800 -0.296 0.000 3.409 193 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.686 193 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.686 193 G C 0.143 174.870 174.900 -0.288 0.000 1.017 193 G CA 0.066 45.040 45.100 -0.210 0.000 0.854 193 G HN 0.161 nan 8.290 nan 0.000 0.508 194 S N 1.025 116.608 115.700 -0.194 0.000 2.559 194 S HA 0.493 4.963 4.470 -0.001 0.000 0.226 194 S C 2.107 176.587 174.600 -0.199 0.000 1.030 194 S CA 1.266 59.212 58.200 -0.423 0.000 0.956 194 S CB 0.395 63.523 63.200 -0.120 0.000 0.900 194 S HN 2.567 nan 8.310 nan 0.000 0.510 195 G N 2.042 110.837 108.800 -0.008 0.000 2.622 195 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.307 195 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.307 195 G C 0.709 175.569 174.900 -0.067 0.000 1.226 195 G CA 0.845 45.954 45.100 0.016 0.000 0.997 195 G HN 1.165 nan 8.290 nan 0.000 0.551 196 V N -1.779 118.014 119.914 -0.201 0.000 3.177 196 V HA 0.519 4.639 4.120 -0.001 0.000 0.342 196 V C 0.437 176.066 176.094 -0.775 0.000 1.379 196 V CA 1.023 62.995 62.300 -0.548 0.000 1.191 196 V CB 0.808 32.500 31.823 -0.218 0.000 1.167 196 V HN 0.619 nan 8.190 nan 0.000 0.471 197 D N 0.406 120.523 120.400 -0.473 0.000 2.483 197 D HA 0.205 4.845 4.640 -0.001 0.000 0.220 197 D C 0.734 176.847 176.300 -0.310 0.000 1.173 197 D CA -0.336 53.496 54.000 -0.279 0.000 0.964 197 D CB 0.137 40.905 40.800 -0.052 0.000 1.046 197 D HN 0.511 nan 8.370 nan 0.000 0.517 198 Y N 1.650 121.883 120.300 -0.112 0.000 2.352 198 Y HA -0.079 4.471 4.550 -0.001 0.000 0.292 198 Y C 2.402 178.210 175.900 -0.154 0.000 1.136 198 Y CA 0.751 58.708 58.100 -0.239 0.000 1.227 198 Y CB 0.052 38.276 38.460 -0.392 0.000 0.991 198 Y HN 0.489 nan 8.280 nan 0.000 0.545 199 A N -0.404 122.438 122.820 0.037 0.000 1.898 199 A HA -0.218 4.101 4.320 -0.001 0.000 0.216 199 A C 2.106 179.661 177.584 -0.047 0.000 1.181 199 A CA 1.658 53.693 52.037 -0.004 0.000 0.620 199 A CB -0.910 18.096 19.000 0.009 0.000 0.819 199 A HN 0.569 nan 8.150 nan 0.000 0.442 200 H N -0.362 118.640 119.070 -0.113 0.000 2.357 200 H HA -0.099 4.457 4.556 -0.001 0.000 0.301 200 H C 1.972 177.199 175.328 -0.167 0.000 1.082 200 H CA 1.820 57.791 56.048 -0.128 0.000 1.342 200 H CB -0.242 29.435 29.762 -0.142 0.000 1.389 200 H HN 0.328 nan 8.280 nan 0.000 0.511 201 L N 1.567 122.727 121.223 -0.105 0.000 2.079 201 L HA -0.142 4.198 4.340 -0.001 0.000 0.210 201 L C 2.507 179.169 176.870 -0.345 0.000 1.081 201 L CA 2.084 56.789 54.840 -0.224 0.000 0.752 201 L CB -0.651 41.212 42.059 -0.326 0.000 0.896 201 L HN 0.308 nan 8.230 nan 0.000 0.433 202 E N -1.608 118.424 120.200 -0.279 0.000 2.208 202 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 202 E C 2.029 178.455 176.600 -0.290 0.000 0.988 202 E CA 0.548 56.772 56.400 -0.293 0.000 0.828 202 E CB 0.101 29.691 29.700 -0.184 0.000 0.763 202 E HN 0.535 nan 8.360 nan 0.000 0.478 203 Q N -0.065 119.565 119.800 -0.283 0.000 2.084 203 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 203 Q C 2.369 178.290 176.000 -0.130 0.000 0.978 203 Q CA 1.132 56.772 55.803 -0.272 0.000 0.844 203 Q CB -0.346 28.129 28.738 -0.438 0.000 0.898 203 Q HN 0.268 nan 8.270 nan 0.000 0.426 204 V N 0.290 120.096 119.914 -0.179 0.000 2.295 204 V HA -0.278 3.841 4.120 -0.001 0.000 0.246 204 V C 2.574 178.500 176.094 -0.279 0.000 1.049 204 V CA 1.594 63.816 62.300 -0.129 0.000 1.024 204 V CB -0.897 30.865 31.823 -0.100 0.000 0.648 204 V HN 0.324 nan 8.190 nan 0.000 0.447 205 C N 1.058 119.987 119.300 -0.618 0.000 2.413 205 C HA -0.087 4.373 4.460 -0.001 0.000 0.276 205 C C 2.982 177.732 174.990 -0.400 0.000 1.236 205 C CA 0.965 59.454 59.018 -0.882 0.000 1.735 205 C CB -1.718 25.421 27.740 -1.002 0.000 2.031 205 C HN 0.687 nan 8.230 nan 0.000 0.474 206 G N 0.108 108.734 108.800 -0.290 0.000 2.422 206 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.218 206 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.218 206 G C 1.848 176.670 174.900 -0.129 0.000 1.146 206 G CA 1.019 46.007 45.100 -0.186 0.000 0.769 206 G HN 0.628 nan 8.290 nan 0.000 0.547 207 A N 0.398 123.158 122.820 -0.099 0.000 1.898 207 A HA 0.050 4.370 4.320 -0.001 0.000 0.216 207 A C 2.295 179.841 177.584 -0.062 0.000 1.181 207 A CA 2.117 54.112 52.037 -0.070 0.000 0.620 207 A CB -0.360 18.632 19.000 -0.014 0.000 0.819 207 A HN 0.407 nan 8.150 nan 0.000 0.442 208 M N -0.001 119.583 119.600 -0.026 0.000 2.080 208 M HA -0.108 4.372 4.480 -0.001 0.000 0.260 208 M C 1.874 178.190 176.300 0.027 0.000 1.068 208 M CA 2.010 57.343 55.300 0.056 0.000 1.109 208 M CB -0.633 32.112 32.600 0.241 0.000 1.342 208 M HN 0.106 nan 8.290 nan 0.000 0.405 209 V N 0.316 120.221 119.914 -0.014 0.000 2.233 209 V HA -0.318 3.801 4.120 -0.001 0.000 0.247 209 V C 2.552 178.615 176.094 -0.053 0.000 1.050 209 V CA 2.479 64.760 62.300 -0.032 0.000 1.010 209 V CB -0.922 30.862 31.823 -0.064 0.000 0.637 209 V HN 0.557 nan 8.190 nan 0.000 0.444 210 R N -0.516 119.946 120.500 -0.063 0.000 2.094 210 R HA -0.228 4.112 4.340 -0.001 0.000 0.239 210 R C 2.496 178.774 176.300 -0.038 0.000 1.137 210 R CA 1.994 58.057 56.100 -0.062 0.000 0.943 210 R CB -0.228 30.030 30.300 -0.069 0.000 0.850 210 R HN 0.512 nan 8.270 nan 0.000 0.433 211 Q N -0.293 119.491 119.800 -0.028 0.000 2.079 211 Q HA -0.088 4.252 4.340 -0.001 0.000 0.200 211 Q C 2.260 178.285 176.000 0.042 0.000 0.974 211 Q CA 1.222 57.026 55.803 0.002 0.000 0.840 211 Q CB -0.253 28.466 28.738 -0.032 0.000 0.898 211 Q HN 0.253 nan 8.270 nan 0.000 0.430 212 V N 1.280 121.216 119.914 0.036 0.000 2.343 212 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 212 V C 2.331 178.455 176.094 0.050 0.000 1.051 212 V CA 1.436 63.785 62.300 0.082 0.000 1.036 212 V CB -0.497 31.367 31.823 0.070 0.000 0.654 212 V HN 0.259 nan 8.190 nan 0.000 0.451 213 I N -0.010 120.509 120.570 -0.084 0.000 2.252 213 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 213 I C 2.622 178.654 176.117 -0.142 0.000 1.102 213 I CA 1.635 62.752 61.300 -0.304 0.000 1.385 213 I CB -0.315 37.421 38.000 -0.441 0.000 1.064 213 I HN 0.359 nan 8.210 nan 0.000 0.414 214 E N 1.357 121.542 120.200 -0.025 0.000 2.077 214 E HA -0.278 4.072 4.350 -0.001 0.000 0.193 214 E C 2.054 178.736 176.600 0.137 0.000 0.989 214 E CA 1.577 58.005 56.400 0.047 0.000 0.800 214 E CB -0.463 29.276 29.700 0.064 0.000 0.746 214 E HN 0.347 nan 8.360 nan 0.000 0.452 215 F N 0.501 120.449 119.950 -0.004 0.000 2.161 215 F HA -0.006 4.521 4.527 -0.000 0.000 0.300 215 F C 1.794 177.611 175.800 0.028 0.000 1.089 215 F CA 2.077 60.087 58.000 0.017 0.000 1.282 215 F CB -0.491 38.524 39.000 0.024 0.000 1.010 215 F HN 0.243 nan 8.300 nan 0.000 0.485 216 G N 0.478 109.311 108.800 0.055 0.000 2.160 216 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.251 216 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.251 216 G C 0.016 174.872 174.900 -0.074 0.000 1.008 216 G CA 0.369 45.479 45.100 0.016 0.000 0.724 216 G HN 0.426 nan 8.290 nan 0.000 0.514 217 Q N 0.170 119.901 119.800 -0.115 0.000 2.266 217 Q HA 0.498 4.838 4.340 -0.001 0.000 0.261 217 Q C -0.148 175.867 176.000 0.025 0.000 0.985 217 Q CA -0.794 54.938 55.803 -0.119 0.000 0.873 217 Q CB 1.643 30.243 28.738 -0.230 0.000 1.306 217 Q HN 0.383 nan 8.270 nan 0.000 0.447 218 D N 1.192 121.605 120.400 0.022 0.000 2.382 218 D HA 0.398 5.038 4.640 -0.001 0.000 0.240 218 D C -0.861 175.482 176.300 0.072 0.000 1.146 218 D CA -0.082 53.962 54.000 0.074 0.000 0.897 218 D CB 0.509 41.358 40.800 0.082 0.000 1.197 218 D HN 0.327 nan 8.370 nan 0.000 0.432 219 L N 0.154 121.437 121.223 0.099 0.000 2.720 219 L HA 0.473 4.813 4.340 -0.001 0.000 0.261 219 L C 0.016 176.930 176.870 0.073 0.000 1.046 219 L CA -0.743 54.113 54.840 0.027 0.000 0.886 219 L CB 1.302 43.348 42.059 -0.021 0.000 1.493 219 L HN 0.144 nan 8.230 nan 0.000 0.407 220 Q N 0.471 120.246 119.800 -0.041 0.000 2.392 220 Q HA 0.782 5.121 4.340 -0.001 0.000 0.219 220 Q C 0.061 176.060 176.000 -0.002 0.000 0.895 220 Q CA 0.947 56.752 55.803 0.003 0.000 0.929 220 Q CB 1.002 29.710 28.738 -0.051 0.000 1.077 220 Q HN 0.887 nan 8.270 nan 0.000 0.532 221 A N 0.279 123.022 122.820 -0.128 0.000 2.612 221 A HA 0.731 5.051 4.320 -0.001 0.000 0.293 221 A C -1.389 176.154 177.584 -0.068 0.000 1.075 221 A CA -0.873 51.134 52.037 -0.049 0.000 0.680 221 A CB 0.999 20.024 19.000 0.041 0.000 1.279 221 A HN 0.245 nan 8.150 nan 0.000 0.411 222 I N -1.680 118.988 120.570 0.164 0.000 3.002 222 I HA 0.901 5.070 4.170 -0.001 0.000 0.310 222 I C -0.329 176.000 176.117 0.352 0.000 1.087 222 I CA -0.754 60.703 61.300 0.261 0.000 1.017 222 I CB 2.279 40.391 38.000 0.186 0.000 1.226 222 I HN 0.549 nan 8.210 nan 0.000 0.443 223 S N 1.962 117.826 115.700 0.274 0.000 2.521 223 S HA 0.733 5.202 4.470 -0.001 0.000 0.295 223 S C 0.441 174.761 174.600 -0.466 0.000 1.098 223 S CA -0.091 58.092 58.200 -0.030 0.000 0.999 223 S CB 1.848 65.076 63.200 0.046 0.000 1.034 223 S HN 0.935 nan 8.310 nan 0.000 0.483 224 A N 3.345 125.673 122.820 -0.821 0.000 2.208 224 A HA 0.555 4.874 4.320 -0.001 0.000 0.209 224 A C 1.457 178.680 177.584 -0.602 0.000 1.161 224 A CA 0.840 52.050 52.037 -1.379 0.000 0.782 224 A CB -1.441 16.512 19.000 -1.745 0.000 0.816 224 A HN 2.081 nan 8.150 nan 0.000 0.477 225 G N -1.838 106.697 108.800 -0.441 0.000 2.645 225 G HA2 0.191 4.150 3.960 -0.001 0.000 0.239 225 G HA3 0.191 4.150 3.960 -0.001 0.000 0.239 225 G C 0.537 175.422 174.900 -0.024 0.000 1.331 225 G CA -0.218 44.766 45.100 -0.194 0.000 0.890 225 G HN 1.397 nan 8.290 nan 0.000 0.572 226 G N -3.002 105.981 108.800 0.305 0.000 3.039 226 G HA2 0.746 4.706 3.960 -0.001 0.000 0.159 226 G HA3 0.746 4.706 3.960 -0.001 0.000 0.159 226 G C 1.325 176.331 174.900 0.176 0.000 1.284 226 G CA 1.055 46.259 45.100 0.174 0.000 0.996 226 G HN 2.633 nan 8.290 nan 0.000 0.592 227 G N -1.859 107.052 108.800 0.186 0.000 2.159 227 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.227 227 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.227 227 G C 0.109 175.057 174.900 0.079 0.000 0.986 227 G CA 0.092 45.256 45.100 0.106 0.000 0.651 227 G HN 0.624 nan 8.290 nan 0.000 0.523 228 L N 2.555 123.781 121.223 0.006 0.000 2.455 228 L HA 0.483 4.823 4.340 -0.001 0.000 0.272 228 L C 1.438 178.346 176.870 0.064 0.000 1.174 228 L CA 0.816 55.581 54.840 -0.126 0.000 0.869 228 L CB 0.959 42.724 42.059 -0.490 0.000 1.130 228 L HN 0.518 nan 8.230 nan 0.000 0.474 229 S N 2.738 118.481 115.700 0.071 0.000 2.669 229 S HA 0.809 5.279 4.470 -0.001 0.000 0.270 229 S C -0.187 174.485 174.600 0.119 0.000 1.225 229 S CA -0.658 57.607 58.200 0.108 0.000 0.991 229 S CB 1.780 65.025 63.200 0.076 0.000 0.987 229 S HN 0.581 nan 8.310 nan 0.000 0.552 230 V N -2.743 117.179 119.914 0.013 0.000 2.876 230 V HA 0.741 4.861 4.120 -0.001 0.000 0.312 230 V C -2.988 172.953 176.094 -0.255 0.000 1.085 230 V CA -2.657 59.557 62.300 -0.144 0.000 0.945 230 V CB 1.556 33.196 31.823 -0.306 0.000 1.017 230 V HN 0.837 nan 8.190 nan 0.000 0.428 231 P HA 0.310 nan 4.420 nan 0.000 0.273 231 P C -0.335 176.878 177.300 -0.144 0.000 1.428 231 P CA 0.155 63.191 63.100 -0.106 0.000 0.995 231 P CB 0.098 31.769 31.700 -0.049 0.000 1.286 232 Y N 1.044 121.361 120.300 0.028 0.000 2.373 232 Y HA -0.052 4.498 4.550 -0.001 0.000 0.293 232 Y C 1.555 177.488 175.900 0.055 0.000 1.129 232 Y CA 0.853 58.998 58.100 0.076 0.000 1.226 232 Y CB 0.310 38.818 38.460 0.080 0.000 1.000 232 Y HN 0.307 nan 8.280 nan 0.000 0.549 233 Q N 0.684 120.497 119.800 0.022 0.000 2.309 233 Q HA 0.235 4.575 4.340 -0.001 0.000 0.264 233 Q C -0.740 175.185 176.000 -0.125 0.000 1.008 233 Q CA -1.163 54.521 55.803 -0.198 0.000 0.853 233 Q CB 1.493 29.969 28.738 -0.436 0.000 1.314 233 Q HN 0.124 nan 8.270 nan 0.000 0.448 234 Q N 0.517 120.233 119.800 -0.140 0.000 2.859 234 Q HA 0.013 4.353 4.340 -0.001 0.000 0.364 234 Q C 1.073 177.028 176.000 -0.075 0.000 1.067 234 Q CA 1.629 57.366 55.803 -0.111 0.000 1.162 234 Q CB -0.574 28.107 28.738 -0.096 0.000 1.023 234 Q HN 1.018 nan 8.270 nan 0.000 0.415 235 G N 1.408 110.177 108.800 -0.051 0.000 2.184 235 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.264 235 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.264 235 G C -0.079 174.809 174.900 -0.019 0.000 0.975 235 G CA 0.273 45.356 45.100 -0.029 0.000 0.642 235 G HN 0.578 nan 8.290 nan 0.000 0.536 236 E N 0.620 120.804 120.200 -0.027 0.000 2.392 236 E HA 0.384 4.734 4.350 -0.001 0.000 0.259 236 E C 0.444 177.049 176.600 0.009 0.000 1.108 236 E CA -0.157 56.236 56.400 -0.011 0.000 0.916 236 E CB 0.690 30.381 29.700 -0.015 0.000 0.989 236 E HN 0.487 nan 8.360 nan 0.000 0.432 237 E N 0.866 121.083 120.200 0.028 0.000 2.259 237 E HA 0.329 4.679 4.350 -0.001 0.000 0.281 237 E C -1.090 175.552 176.600 0.069 0.000 1.027 237 E CA -0.589 55.846 56.400 0.057 0.000 0.838 237 E CB 0.876 30.623 29.700 0.079 0.000 1.066 237 E HN 0.500 nan 8.360 nan 0.000 0.401 238 A N 3.766 126.638 122.820 0.087 0.000 2.304 238 A HA 0.307 4.627 4.320 -0.001 0.000 0.271 238 A C -0.148 177.542 177.584 0.177 0.000 1.091 238 A CA -0.663 51.442 52.037 0.113 0.000 0.812 238 A CB 0.915 19.976 19.000 0.103 0.000 1.056 238 A HN 0.544 nan 8.150 nan 0.000 0.489 239 V N 1.650 121.690 119.914 0.210 0.000 2.763 239 V HA 0.035 4.154 4.120 -0.001 0.000 0.306 239 V C 0.333 176.580 176.094 0.255 0.000 1.059 239 V CA 0.356 62.788 62.300 0.219 0.000 1.138 239 V CB 1.026 32.849 31.823 -0.000 0.000 0.940 239 V HN 0.899 nan 8.190 nan 0.000 0.489 240 D N 2.992 123.608 120.400 0.361 0.000 2.456 240 D HA 0.151 4.790 4.640 -0.001 0.000 0.219 240 D C 1.317 177.793 176.300 0.293 0.000 1.126 240 D CA 0.125 54.287 54.000 0.270 0.000 0.890 240 D CB 1.405 42.330 40.800 0.209 0.000 1.025 240 D HN 0.729 nan 8.370 nan 0.000 0.511 241 T N 1.153 115.827 114.554 0.200 0.000 2.881 241 T HA -0.172 4.177 4.350 -0.001 0.000 0.270 241 T C 1.326 176.231 174.700 0.342 0.000 1.068 241 T CA 0.949 63.172 62.100 0.206 0.000 1.131 241 T CB 0.013 68.958 68.868 0.129 0.000 0.871 241 T HN 0.196 nan 8.240 nan 0.000 0.479 242 E N 0.380 120.734 120.200 0.257 0.000 2.106 242 E HA -0.074 4.275 4.350 -0.001 0.000 0.192 242 E C 2.117 178.878 176.600 0.269 0.000 0.984 242 E CA 0.904 57.443 56.400 0.232 0.000 0.806 242 E CB -0.484 29.292 29.700 0.128 0.000 0.750 242 E HN 0.593 nan 8.360 nan 0.000 0.458 243 H N -0.781 118.357 119.070 0.113 0.000 2.357 243 H HA -0.087 4.469 4.556 -0.001 0.000 0.301 243 H C 1.478 176.880 175.328 0.123 0.000 1.082 243 H CA 1.317 57.359 56.048 -0.009 0.000 1.342 243 H CB -0.296 29.285 29.762 -0.302 0.000 1.389 243 H HN 0.230 nan 8.280 nan 0.000 0.511 244 Y N -0.518 119.976 120.300 0.324 0.000 2.181 244 Y HA -0.258 4.292 4.550 -0.001 0.000 0.288 244 Y C 2.597 178.797 175.900 0.500 0.000 1.146 244 Y CA 1.952 60.301 58.100 0.416 0.000 1.164 244 Y CB -0.725 37.990 38.460 0.424 0.000 0.982 244 Y HN 0.231 nan 8.280 nan 0.000 0.515 245 Y N -0.036 120.534 120.300 0.450 0.000 2.200 245 Y HA -0.111 4.439 4.550 -0.001 0.000 0.290 245 Y C 2.462 178.386 175.900 0.041 0.000 1.137 245 Y CA 1.412 59.536 58.100 0.040 0.000 1.163 245 Y CB -0.858 37.474 38.460 -0.214 0.000 0.988 245 Y HN 0.055 nan 8.280 nan 0.000 0.518 246 G N 0.576 109.391 108.800 0.025 0.000 2.491 246 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.218 246 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.218 246 G C 1.717 176.525 174.900 -0.152 0.000 1.180 246 G CA 1.497 46.538 45.100 -0.098 0.000 0.774 246 G HN 0.458 nan 8.290 nan 0.000 0.562 247 L N -1.749 119.433 121.223 -0.069 0.000 2.056 247 L HA 0.011 4.350 4.340 -0.001 0.000 0.207 247 L C 2.732 179.433 176.870 -0.281 0.000 1.078 247 L CA 0.863 55.589 54.840 -0.189 0.000 0.749 247 L CB -0.278 41.645 42.059 -0.227 0.000 0.901 247 L HN 0.342 nan 8.230 nan 0.000 0.433 248 W N -0.090 121.153 121.300 -0.094 0.000 2.453 248 W HA -0.089 4.570 4.660 -0.001 0.000 0.289 248 W C 2.618 179.029 176.519 -0.180 0.000 1.215 248 W CA 0.837 58.146 57.345 -0.060 0.000 1.297 248 W CB -0.202 29.346 29.460 0.148 0.000 1.113 248 W HN 0.178 nan 8.180 nan 0.000 0.551 249 N N 0.896 119.450 118.700 -0.243 0.000 2.104 249 N HA -0.207 4.533 4.740 -0.001 0.000 0.190 249 N C 1.775 177.176 175.510 -0.182 0.000 1.024 249 N CA 1.840 54.656 53.050 -0.390 0.000 0.853 249 N CB -0.241 37.662 38.487 -0.974 0.000 1.008 249 N HN 0.124 nan 8.380 nan 0.000 0.424 250 A N 0.936 123.646 122.820 -0.183 0.000 1.908 250 A HA -0.031 4.289 4.320 -0.001 0.000 0.218 250 A C 2.418 179.950 177.584 -0.086 0.000 1.181 250 A CA 1.913 53.874 52.037 -0.125 0.000 0.627 250 A CB -0.910 18.007 19.000 -0.138 0.000 0.818 250 A HN 0.519 nan 8.150 nan 0.000 0.445 251 A N -0.406 122.364 122.820 -0.083 0.000 1.898 251 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 251 A C 2.283 179.899 177.584 0.053 0.000 1.181 251 A CA 1.627 53.643 52.037 -0.034 0.000 0.620 251 A CB -0.520 18.438 19.000 -0.070 0.000 0.819 251 A HN 0.463 nan 8.150 nan 0.000 0.442 252 R N 0.409 120.971 120.500 0.103 0.000 2.081 252 R HA -0.158 4.181 4.340 -0.001 0.000 0.235 252 R C 1.753 178.080 176.300 0.046 0.000 1.131 252 R CA 2.068 58.230 56.100 0.103 0.000 0.960 252 R CB -0.539 29.833 30.300 0.119 0.000 0.856 252 R HN 0.709 nan 8.270 nan 0.000 0.436 253 E N 0.352 120.558 120.200 0.011 0.000 2.077 253 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 253 E C 2.105 178.706 176.600 0.001 0.000 0.989 253 E CA 1.374 57.774 56.400 -0.000 0.000 0.800 253 E CB -0.122 29.566 29.700 -0.020 0.000 0.746 253 E HN 0.463 nan 8.360 nan 0.000 0.452 254 Q N 0.772 120.569 119.800 -0.006 0.000 2.061 254 Q HA -0.195 4.145 4.340 -0.001 0.000 0.204 254 Q C 2.169 178.183 176.000 0.024 0.000 0.984 254 Q CA 1.379 57.181 55.803 -0.001 0.000 0.846 254 Q CB -0.062 28.663 28.738 -0.022 0.000 0.902 254 Q HN 0.285 nan 8.270 nan 0.000 0.421 255 I N 0.462 121.048 120.570 0.027 0.000 2.179 255 I HA -0.288 3.881 4.170 -0.001 0.000 0.242 255 I C 2.438 178.570 176.117 0.026 0.000 1.088 255 I CA 1.017 62.344 61.300 0.044 0.000 1.357 255 I CB -0.462 37.570 38.000 0.053 0.000 1.051 255 I HN 0.303 nan 8.210 nan 0.000 0.409 256 A N 0.633 123.451 122.820 -0.004 0.000 1.908 256 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 256 A C 2.392 179.934 177.584 -0.071 0.000 1.181 256 A CA 1.636 53.636 52.037 -0.062 0.000 0.627 256 A CB -0.598 18.393 19.000 -0.014 0.000 0.818 256 A HN 0.308 nan 8.150 nan 0.000 0.445 257 R N -1.688 118.802 120.500 -0.017 0.000 2.096 257 R HA -0.134 4.206 4.340 -0.001 0.000 0.235 257 R C 2.314 178.610 176.300 -0.007 0.000 1.127 257 R CA 1.343 57.436 56.100 -0.012 0.000 0.968 257 R CB -0.459 29.844 30.300 0.005 0.000 0.861 257 R HN 0.808 nan 8.270 nan 0.000 0.440 258 H N 0.590 119.623 119.070 -0.062 0.000 2.353 258 H HA -0.077 4.478 4.556 -0.000 0.000 0.300 258 H C 1.745 177.023 175.328 -0.083 0.000 1.090 258 H CA 1.434 57.448 56.048 -0.057 0.000 1.327 258 H CB 0.177 29.915 29.762 -0.040 0.000 1.383 258 H HN 0.169 nan 8.280 nan 0.000 0.508 259 L N -0.583 120.539 121.223 -0.168 0.000 2.418 259 L HA 0.083 4.423 4.340 -0.001 0.000 0.218 259 L C 1.699 178.391 176.870 -0.296 0.000 1.125 259 L CA 0.662 55.325 54.840 -0.295 0.000 0.835 259 L CB 0.158 41.966 42.059 -0.419 0.000 0.953 259 L HN 0.535 nan 8.230 nan 0.000 0.454 260 G N 0.568 109.237 108.800 -0.219 0.000 2.137 260 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.237 260 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.237 260 G C -0.006 174.891 174.900 -0.005 0.000 1.002 260 G CA 0.481 45.524 45.100 -0.095 0.000 0.702 260 G HN 0.708 nan 8.290 nan 0.000 0.515 261 H N -3.532 115.536 119.070 -0.003 0.000 3.037 261 H HA 0.666 5.222 4.556 -0.001 0.000 0.336 261 H C -3.273 172.065 175.328 0.017 0.000 1.323 261 H CA -1.810 54.241 56.048 0.005 0.000 1.159 261 H CB -0.057 29.705 29.762 0.000 0.000 1.882 261 H HN 0.074 nan 8.280 nan 0.000 0.535 262 P HA 0.157 nan 4.420 nan 0.000 0.265 262 P C -0.695 176.757 177.300 0.254 0.000 1.193 262 P CA -0.211 63.000 63.100 0.185 0.000 0.765 262 P CB 0.588 32.370 31.700 0.135 0.000 0.823 263 V N 4.418 124.418 119.914 0.144 0.000 2.487 263 V HA 0.230 4.350 4.120 -0.001 0.000 0.298 263 V C 0.371 176.543 176.094 0.129 0.000 1.028 263 V CA -0.787 61.596 62.300 0.137 0.000 0.860 263 V CB 1.599 33.473 31.823 0.084 0.000 0.991 263 V HN 0.445 nan 8.190 nan 0.000 0.427 264 K N 3.514 123.994 120.400 0.134 0.000 2.295 264 K HA 0.423 4.743 4.320 -0.001 0.000 0.270 264 K C -0.758 175.954 176.600 0.187 0.000 1.011 264 K CA -0.500 55.879 56.287 0.154 0.000 0.953 264 K CB 0.960 33.554 32.500 0.156 0.000 0.956 264 K HN 0.381 nan 8.250 nan 0.000 0.477 265 L N 2.734 124.085 121.223 0.213 0.000 2.316 265 L HA 0.224 4.563 4.340 -0.001 0.000 0.280 265 L C -0.715 176.330 176.870 0.291 0.000 1.006 265 L CA 0.047 55.038 54.840 0.252 0.000 0.836 265 L CB 1.114 43.334 42.059 0.269 0.000 1.221 265 L HN 0.543 nan 8.230 nan 0.000 0.418 266 E N 4.744 125.074 120.200 0.217 0.000 2.242 266 E HA 0.455 4.804 4.350 -0.001 0.000 0.275 266 E C -1.081 175.488 176.600 -0.050 0.000 1.002 266 E CA -0.719 55.750 56.400 0.115 0.000 0.841 266 E CB 2.964 32.703 29.700 0.065 0.000 1.109 266 E HN 0.588 nan 8.360 nan 0.000 0.394 267 I N 0.687 121.136 120.570 -0.202 0.000 2.569 267 I HA 0.165 4.335 4.170 -0.001 0.000 0.296 267 I C -0.724 175.226 176.117 -0.278 0.000 1.028 267 I CA -0.321 60.716 61.300 -0.439 0.000 1.082 267 I CB 1.617 39.032 38.000 -0.974 0.000 1.264 267 I HN 0.516 nan 8.210 nan 0.000 0.429 268 E N 8.215 128.277 120.200 -0.230 0.000 3.786 268 E HA 0.387 4.737 4.350 -0.001 0.000 0.215 268 E C -2.557 173.985 176.600 -0.096 0.000 1.188 268 E CA -2.045 54.266 56.400 -0.149 0.000 1.248 268 E CB 0.656 30.271 29.700 -0.143 0.000 1.260 268 E HN 0.327 nan 8.360 nan 0.000 0.426 269 P HA 0.185 nan 4.420 nan 0.000 0.278 269 P C 0.125 177.502 177.300 0.129 0.000 1.238 269 P CA 0.045 63.168 63.100 0.039 0.000 0.794 269 P CB 2.145 33.886 31.700 0.068 0.000 0.955 270 G N 2.039 110.925 108.800 0.142 0.000 2.621 270 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.209 270 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.209 270 G C 1.468 176.515 174.900 0.245 0.000 1.379 270 G CA -0.002 45.167 45.100 0.116 0.000 0.766 270 G HN 0.458 nan 8.290 nan 0.000 0.599 271 R N -0.514 120.128 120.500 0.237 0.000 2.113 271 R HA -0.148 4.192 4.340 -0.001 0.000 0.244 271 R C 2.283 178.704 176.300 0.203 0.000 1.142 271 R CA 2.043 58.294 56.100 0.251 0.000 0.953 271 R CB -0.595 29.925 30.300 0.367 0.000 0.860 271 R HN 0.290 nan 8.270 nan 0.000 0.438 272 F N 0.948 120.934 119.950 0.061 0.000 2.126 272 F HA -0.229 4.298 4.527 -0.001 0.000 0.299 272 F C 1.832 177.624 175.800 -0.012 0.000 1.096 272 F CA 1.326 59.324 58.000 -0.005 0.000 1.255 272 F CB -0.277 38.689 39.000 -0.056 0.000 0.997 272 F HN 0.057 nan 8.300 nan 0.000 0.479 273 L N -0.913 120.353 121.223 0.073 0.000 2.275 273 L HA -0.086 4.254 4.340 -0.001 0.000 0.215 273 L C 1.965 178.737 176.870 -0.164 0.000 1.119 273 L CA 1.081 55.866 54.840 -0.091 0.000 0.790 273 L CB -0.515 41.506 42.059 -0.064 0.000 0.919 273 L HN 0.190 nan 8.230 nan 0.000 0.443 274 V N -2.720 117.154 119.914 -0.067 0.000 3.332 274 V HA 0.237 4.356 4.120 -0.001 0.000 0.263 274 V C 2.003 178.119 176.094 0.036 0.000 1.562 274 V CA 0.716 62.992 62.300 -0.040 0.000 1.040 274 V CB 0.787 32.602 31.823 -0.014 0.000 0.857 274 V HN 0.264 nan 8.190 nan 0.000 0.428 275 A N -0.052 122.799 122.820 0.051 0.000 1.851 275 A HA -0.308 4.012 4.320 -0.001 0.000 0.216 275 A C 1.853 179.500 177.584 0.104 0.000 1.195 275 A CA 2.387 54.499 52.037 0.124 0.000 0.622 275 A CB -0.492 18.591 19.000 0.138 0.000 0.831 275 A HN 0.605 nan 8.150 nan 0.000 0.444 276 Q N 0.089 119.889 119.800 0.001 0.000 2.364 276 Q HA -0.087 4.253 4.340 -0.001 0.000 0.207 276 Q C 2.186 178.191 176.000 0.008 0.000 0.970 276 Q CA 1.263 57.071 55.803 0.008 0.000 0.888 276 Q CB -0.205 28.488 28.738 -0.075 0.000 0.951 276 Q HN 0.861 nan 8.270 nan 0.000 0.469 277 S N -0.631 115.072 115.700 0.005 0.000 2.481 277 S HA 0.014 4.483 4.470 -0.001 0.000 0.231 277 S C 0.923 175.568 174.600 0.075 0.000 0.996 277 S CA 0.335 58.547 58.200 0.021 0.000 0.942 277 S CB 0.092 63.317 63.200 0.042 0.000 0.768 277 S HN 0.259 nan 8.310 nan 0.000 0.520 278 G N 0.875 109.730 108.800 0.092 0.000 2.420 278 G HA2 0.621 4.581 3.960 -0.001 0.000 0.331 278 G HA3 0.621 4.581 3.960 -0.001 0.000 0.331 278 G C -0.713 174.176 174.900 -0.018 0.000 1.168 278 G CA -0.336 44.736 45.100 -0.047 0.000 0.936 278 G HN 0.855 nan 8.290 nan 0.000 0.479 279 V N -0.504 119.353 119.914 -0.095 0.000 3.141 279 V HA 0.883 5.003 4.120 -0.001 0.000 0.312 279 V C -1.091 174.970 176.094 -0.054 0.000 1.157 279 V CA -1.333 60.933 62.300 -0.056 0.000 1.041 279 V CB 1.859 33.612 31.823 -0.116 0.000 1.071 279 V HN 0.811 nan 8.190 nan 0.000 0.441 280 L N 2.084 123.245 121.223 -0.102 0.000 2.376 280 L HA 0.702 5.042 4.340 -0.001 0.000 0.275 280 L C -0.827 175.898 176.870 -0.240 0.000 0.987 280 L CA -0.260 54.438 54.840 -0.236 0.000 0.828 280 L CB 1.216 43.039 42.059 -0.393 0.000 1.249 280 L HN 0.702 nan 8.230 nan 0.000 0.409 281 I N 4.144 124.583 120.570 -0.219 0.000 2.353 281 I HA 0.493 4.662 4.170 -0.001 0.000 0.293 281 I C 0.098 176.154 176.117 -0.102 0.000 0.992 281 I CA -0.282 60.937 61.300 -0.135 0.000 1.268 281 I CB 1.698 39.625 38.000 -0.122 0.000 1.387 281 I HN 0.651 nan 8.210 nan 0.000 0.478 282 T N 5.279 119.827 114.554 -0.011 0.000 2.933 282 T HA 0.244 4.594 4.350 -0.001 0.000 0.305 282 T C -1.019 173.745 174.700 0.106 0.000 1.092 282 T CA -0.529 61.578 62.100 0.012 0.000 1.008 282 T CB 1.801 70.623 68.868 -0.077 0.000 1.102 282 T HN 0.659 nan 8.240 nan 0.000 0.469 283 Q N 3.051 122.874 119.800 0.038 0.000 2.243 283 Q HA 0.567 4.906 4.340 -0.001 0.000 0.252 283 Q C -0.628 175.276 176.000 -0.159 0.000 0.909 283 Q CA -0.729 54.952 55.803 -0.204 0.000 0.922 283 Q CB 1.193 29.763 28.738 -0.281 0.000 1.215 283 Q HN 0.603 nan 8.270 nan 0.000 0.427 284 V N 5.160 124.955 119.914 -0.200 0.000 2.585 284 V HA 0.032 4.151 4.120 -0.001 0.000 0.296 284 V C 0.918 176.943 176.094 -0.114 0.000 1.035 284 V CA 0.214 62.447 62.300 -0.112 0.000 1.084 284 V CB 0.810 32.577 31.823 -0.094 0.000 0.953 284 V HN 0.844 nan 8.190 nan 0.000 0.483 285 R N 1.896 122.354 120.500 -0.070 0.000 2.276 285 R HA 0.295 4.635 4.340 -0.001 0.000 0.195 285 R C 0.077 176.348 176.300 -0.049 0.000 0.908 285 R CA 0.208 56.269 56.100 -0.064 0.000 1.083 285 R CB 0.640 30.907 30.300 -0.056 0.000 1.182 285 R HN 0.620 nan 8.270 nan 0.000 0.608 286 S N 0.520 116.197 115.700 -0.038 0.000 2.571 286 S HA 0.530 5.000 4.470 -0.001 0.000 0.284 286 S C -0.837 173.745 174.600 -0.030 0.000 1.128 286 S CA -0.623 57.557 58.200 -0.035 0.000 0.970 286 S CB 3.096 66.272 63.200 -0.039 0.000 1.039 286 S HN -0.136 nan 8.310 nan 0.000 0.485 287 V N 4.157 124.051 119.914 -0.034 0.000 2.444 287 V HA 0.674 4.794 4.120 -0.001 0.000 0.294 287 V C -0.304 175.755 176.094 -0.058 0.000 1.022 287 V CA -0.694 61.570 62.300 -0.060 0.000 0.850 287 V CB 1.341 33.150 31.823 -0.023 0.000 0.992 287 V HN 0.952 nan 8.190 nan 0.000 0.426 288 K N 3.025 123.371 120.400 -0.091 0.000 2.556 288 K HA 0.762 5.082 4.320 -0.001 0.000 0.274 288 K C -1.379 175.219 176.600 -0.002 0.000 0.966 288 K CA -1.142 55.123 56.287 -0.036 0.000 0.865 288 K CB 2.394 34.869 32.500 -0.042 0.000 1.444 288 K HN 0.338 nan 8.250 nan 0.000 0.433 289 Q N 1.845 121.677 119.800 0.054 0.000 2.278 289 Q HA 0.348 4.688 4.340 -0.001 0.000 0.257 289 Q C -1.146 174.897 176.000 0.070 0.000 0.928 289 Q CA -0.230 55.639 55.803 0.111 0.000 0.932 289 Q CB 1.229 30.039 28.738 0.120 0.000 1.221 289 Q HN 0.608 nan 8.270 nan 0.000 0.434 290 M N 4.053 123.723 119.600 0.115 0.000 2.065 290 M HA 0.387 4.867 4.480 -0.001 0.000 0.332 290 M C 0.675 177.028 176.300 0.088 0.000 0.988 290 M CA -0.015 55.313 55.300 0.046 0.000 0.944 290 M CB 0.096 32.662 32.600 -0.056 0.000 1.357 290 M HN 0.842 nan 8.290 nan 0.000 0.388 291 G N 3.023 111.857 108.800 0.056 0.000 2.602 291 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.310 291 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.310 291 G C 0.673 175.620 174.900 0.077 0.000 1.183 291 G CA 0.968 46.102 45.100 0.057 0.000 0.979 291 G HN 0.789 nan 8.290 nan 0.000 0.545 292 S N 0.944 116.694 115.700 0.083 0.000 2.556 292 S HA 0.400 4.869 4.470 -0.001 0.000 0.216 292 S C 0.860 175.525 174.600 0.107 0.000 0.970 292 S CA 0.388 58.637 58.200 0.082 0.000 0.912 292 S CB 0.255 63.491 63.200 0.060 0.000 0.790 292 S HN 0.661 nan 8.310 nan 0.000 0.504 293 R N 2.108 122.702 120.500 0.157 0.000 2.368 293 R HA 0.316 4.656 4.340 -0.001 0.000 0.302 293 R C -0.654 175.794 176.300 0.246 0.000 1.002 293 R CA -0.362 55.846 56.100 0.181 0.000 0.929 293 R CB 0.426 30.887 30.300 0.269 0.000 1.073 293 R HN 0.461 nan 8.270 nan 0.000 0.464 294 H N 3.638 122.737 119.070 0.049 0.000 2.597 294 H HA 0.266 4.821 4.556 -0.001 0.000 0.303 294 H C -0.977 174.351 175.328 0.000 0.000 1.057 294 H CA -0.378 55.708 56.048 0.064 0.000 1.261 294 H CB 0.309 30.083 29.762 0.020 0.000 1.397 294 H HN 0.286 nan 8.280 nan 0.000 0.461 295 F N 4.158 123.901 119.950 -0.345 0.000 2.420 295 F HA 0.264 4.791 4.527 -0.001 0.000 0.342 295 F C -0.161 175.456 175.800 -0.304 0.000 1.113 295 F CA -0.577 57.285 58.000 -0.231 0.000 1.059 295 F CB 1.682 40.602 39.000 -0.134 0.000 1.128 295 F HN 0.221 nan 8.300 nan 0.000 0.475 296 V N 5.868 125.756 119.914 -0.044 0.000 2.376 296 V HA 0.349 4.468 4.120 -0.001 0.000 0.287 296 V C -0.446 175.680 176.094 0.053 0.000 1.015 296 V CA -0.715 61.571 62.300 -0.023 0.000 0.834 296 V CB 1.413 33.226 31.823 -0.018 0.000 1.001 296 V HN 0.479 nan 8.190 nan 0.000 0.428 297 L N 6.407 127.659 121.223 0.049 0.000 2.282 297 L HA 0.712 5.051 4.340 -0.001 0.000 0.288 297 L C 0.123 177.011 176.870 0.029 0.000 1.033 297 L CA -0.566 54.307 54.840 0.056 0.000 0.807 297 L CB 1.576 43.653 42.059 0.029 0.000 1.209 297 L HN 0.538 nan 8.230 nan 0.000 0.423 298 V N -0.608 119.342 119.914 0.061 0.000 3.284 298 V HA 0.473 4.593 4.120 -0.001 0.000 0.309 298 V C 0.389 176.501 176.094 0.030 0.000 1.190 298 V CA -0.586 61.738 62.300 0.039 0.000 1.038 298 V CB 1.801 33.664 31.823 0.067 0.000 1.198 298 V HN 0.792 nan 8.190 nan 0.000 0.465 299 D N -0.100 120.304 120.400 0.007 0.000 2.349 299 D HA 0.355 4.995 4.640 -0.001 0.000 0.214 299 D C 0.504 176.803 176.300 -0.002 0.000 1.063 299 D CA 0.603 54.598 54.000 -0.009 0.000 0.847 299 D CB 0.167 40.952 40.800 -0.026 0.000 0.933 299 D HN 0.944 nan 8.370 nan 0.000 0.513 300 A N -0.354 122.491 122.820 0.042 0.000 2.325 300 A HA 0.784 5.103 4.320 -0.001 0.000 0.333 300 A C 0.362 178.095 177.584 0.248 0.000 1.155 300 A CA -0.172 51.905 52.037 0.066 0.000 0.814 300 A CB 1.632 20.605 19.000 -0.044 0.000 1.206 300 A HN 0.263 nan 8.150 nan 0.000 0.482 301 G N -0.833 108.090 108.800 0.205 0.000 3.086 301 G HA2 0.492 4.451 3.960 -0.001 0.000 0.282 301 G HA3 0.492 4.451 3.960 -0.001 0.000 0.282 301 G C 0.250 175.253 174.900 0.172 0.000 1.343 301 G CA 0.095 45.232 45.100 0.061 0.000 0.895 301 G HN 1.155 nan 8.290 nan 0.000 0.557 302 F N 1.189 121.120 119.950 -0.032 0.000 2.333 302 F HA -0.059 4.468 4.527 -0.001 0.000 0.300 302 F C 2.062 177.951 175.800 0.148 0.000 1.083 302 F CA 1.243 59.277 58.000 0.057 0.000 1.395 302 F CB -0.720 38.267 39.000 -0.020 0.000 1.056 302 F HN 0.400 nan 8.300 nan 0.000 0.529 303 N N 0.583 119.477 118.700 0.322 0.000 2.309 303 N HA -0.193 4.546 4.740 -0.001 0.000 0.182 303 N C 0.921 176.626 175.510 0.324 0.000 1.018 303 N CA 1.529 54.785 53.050 0.342 0.000 0.876 303 N CB -0.660 37.952 38.487 0.208 0.000 0.972 303 N HN 0.400 nan 8.380 nan 0.000 0.434 304 D N 0.699 121.285 120.400 0.310 0.000 2.154 304 D HA 0.005 4.645 4.640 -0.001 0.000 0.211 304 D C 0.391 177.031 176.300 0.566 0.000 0.977 304 D CA 0.422 54.646 54.000 0.373 0.000 0.869 304 D CB 0.023 40.894 40.800 0.117 0.000 1.022 304 D HN 0.190 nan 8.370 nan 0.000 0.461 305 L N 1.620 123.135 121.223 0.487 0.000 2.295 305 L HA 0.215 4.555 4.340 -0.001 0.000 0.281 305 L C 0.715 177.852 176.870 0.444 0.000 1.018 305 L CA -0.066 55.067 54.840 0.489 0.000 0.841 305 L CB 1.236 43.481 42.059 0.310 0.000 1.218 305 L HN -0.120 nan 8.230 nan 0.000 0.424 306 M N 2.588 122.387 119.600 0.333 0.000 2.476 306 M HA 0.063 4.542 4.480 -0.001 0.000 0.262 306 M C 1.714 178.069 176.300 0.090 0.000 1.111 306 M CA 0.652 56.067 55.300 0.191 0.000 1.127 306 M CB -0.170 32.493 32.600 0.105 0.000 1.376 306 M HN 0.671 nan 8.290 nan 0.000 0.465 307 R N 0.610 121.250 120.500 0.234 0.000 2.094 307 R HA -0.172 4.168 4.340 -0.001 0.000 0.239 307 R C -0.646 175.794 176.300 0.233 0.000 1.137 307 R CA 1.462 57.754 56.100 0.320 0.000 0.943 307 R CB -2.222 28.378 30.300 0.501 0.000 0.850 307 R HN 0.289 nan 8.270 nan 0.000 0.433 308 P HA -0.115 nan 4.420 nan 0.000 0.215 308 P C 1.076 178.417 177.300 0.069 0.000 1.157 308 P CA 1.837 65.060 63.100 0.205 0.000 0.863 308 P CB -0.056 31.832 31.700 0.314 0.000 0.787 309 A N -1.147 121.671 122.820 -0.003 0.000 1.898 309 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 309 A C 2.271 179.692 177.584 -0.272 0.000 1.181 309 A CA 1.615 53.560 52.037 -0.154 0.000 0.620 309 A CB -1.389 17.431 19.000 -0.299 0.000 0.819 309 A HN 0.073 nan 8.150 nan 0.000 0.442 310 M N -2.267 117.100 119.600 -0.388 0.000 2.156 310 M HA -0.051 4.428 4.480 -0.001 0.000 0.264 310 M C 1.359 177.367 176.300 -0.487 0.000 1.067 310 M CA 1.587 56.529 55.300 -0.598 0.000 1.131 310 M CB -0.118 31.862 32.600 -1.034 0.000 1.368 310 M HN 0.663 nan 8.290 nan 0.000 0.416 311 Y N -1.926 118.361 120.300 -0.021 0.000 2.423 311 Y HA 0.347 4.896 4.550 -0.001 0.000 0.257 311 Y C 1.390 177.295 175.900 0.008 0.000 1.087 311 Y CA 0.181 58.276 58.100 -0.009 0.000 1.258 311 Y CB 0.479 38.933 38.460 -0.009 0.000 1.237 311 Y HN 0.379 nan 8.280 nan 0.000 0.517 312 G N 0.973 109.860 108.800 0.145 0.000 2.136 312 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.242 312 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.242 312 G C -0.055 174.931 174.900 0.143 0.000 0.989 312 G CA 0.182 45.355 45.100 0.122 0.000 0.682 312 G HN 0.189 nan 8.290 nan 0.000 0.522 313 S N -0.371 115.432 115.700 0.171 0.000 2.552 313 S HA 0.267 4.737 4.470 -0.001 0.000 0.289 313 S C 0.096 174.742 174.600 0.077 0.000 1.304 313 S CA -0.097 58.152 58.200 0.081 0.000 1.063 313 S CB 0.639 63.888 63.200 0.082 0.000 0.848 313 S HN 0.528 nan 8.310 nan 0.000 0.499 314 Y N 3.173 123.404 120.300 -0.115 0.000 2.336 314 Y HA 0.286 4.835 4.550 -0.001 0.000 0.335 314 Y C 0.029 175.806 175.900 -0.206 0.000 1.046 314 Y CA -0.097 57.970 58.100 -0.054 0.000 1.198 314 Y CB 0.457 38.918 38.460 0.003 0.000 1.182 314 Y HN 0.690 nan 8.280 nan 0.000 0.502 315 H N 3.726 122.619 119.070 -0.294 0.000 2.609 315 H HA 0.217 4.773 4.556 -0.001 0.000 0.344 315 H C -1.001 174.171 175.328 -0.260 0.000 1.040 315 H CA -0.839 55.172 56.048 -0.063 0.000 1.216 315 H CB 0.646 30.397 29.762 -0.018 0.000 1.529 315 H HN 0.720 nan 8.280 nan 0.000 0.519 316 H N 2.504 121.647 119.070 0.121 0.000 2.948 316 H HA 0.165 4.721 4.556 -0.001 0.000 0.351 316 H C -0.454 174.885 175.328 0.019 0.000 1.079 316 H CA 0.628 56.686 56.048 0.017 0.000 1.407 316 H CB 0.349 30.055 29.762 -0.092 0.000 1.373 316 H HN 0.501 nan 8.280 nan 0.000 0.605 317 I N 3.403 123.603 120.570 -0.617 0.000 2.498 317 I HA 0.223 4.393 4.170 -0.001 0.000 0.290 317 I C -0.358 175.607 176.117 -0.254 0.000 1.032 317 I CA -0.376 60.771 61.300 -0.254 0.000 1.073 317 I CB 1.856 39.732 38.000 -0.207 0.000 1.251 317 I HN 0.483 nan 8.210 nan 0.000 0.426 318 S N 3.537 119.267 115.700 0.050 0.000 2.607 318 S HA 0.846 5.316 4.470 -0.001 0.000 0.303 318 S C -0.507 174.129 174.600 0.061 0.000 1.086 318 S CA -0.654 57.602 58.200 0.094 0.000 0.995 318 S CB 2.065 65.407 63.200 0.236 0.000 1.084 318 S HN 0.672 nan 8.310 nan 0.000 0.507 319 A N 1.788 124.655 122.820 0.079 0.000 2.337 319 A HA 0.828 5.147 4.320 -0.001 0.000 0.329 319 A C -1.223 176.427 177.584 0.111 0.000 1.146 319 A CA -0.618 51.468 52.037 0.081 0.000 0.800 319 A CB 0.443 19.485 19.000 0.070 0.000 1.220 319 A HN 0.746 nan 8.150 nan 0.000 0.472 320 L N 2.163 123.460 121.223 0.124 0.000 2.372 320 L HA 0.564 4.904 4.340 -0.001 0.000 0.274 320 L C 0.603 177.571 176.870 0.163 0.000 0.988 320 L CA -0.661 54.264 54.840 0.142 0.000 0.833 320 L CB 1.710 43.844 42.059 0.125 0.000 1.236 320 L HN 0.861 nan 8.230 nan 0.000 0.410 321 A N 2.264 125.162 122.820 0.130 0.000 2.498 321 A HA 0.418 4.738 4.320 -0.001 0.000 0.239 321 A C 1.324 178.994 177.584 0.142 0.000 1.068 321 A CA 0.576 52.679 52.037 0.110 0.000 0.766 321 A CB 0.696 19.746 19.000 0.083 0.000 1.003 321 A HN 0.965 nan 8.150 nan 0.000 0.497 322 A N 1.842 124.740 122.820 0.129 0.000 1.933 322 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 322 A C 1.514 179.169 177.584 0.118 0.000 1.175 322 A CA 2.019 54.153 52.037 0.162 0.000 0.628 322 A CB -0.506 18.545 19.000 0.085 0.000 0.814 322 A HN 0.927 nan 8.150 nan 0.000 0.444 323 D N -2.507 117.941 120.400 0.080 0.000 2.355 323 D HA 0.265 4.905 4.640 -0.001 0.000 0.218 323 D C 1.202 177.539 176.300 0.061 0.000 1.004 323 D CA 1.069 55.106 54.000 0.061 0.000 0.880 323 D CB -0.477 40.350 40.800 0.045 0.000 0.911 323 D HN 0.835 nan 8.370 nan 0.000 0.528 324 G N 0.970 109.814 108.800 0.074 0.000 2.175 324 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.244 324 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.244 324 G C 0.346 175.289 174.900 0.072 0.000 0.982 324 G CA 0.056 45.200 45.100 0.072 0.000 0.641 324 G HN 0.705 nan 8.290 nan 0.000 0.527 325 R N 0.713 121.251 120.500 0.063 0.000 2.623 325 R HA 0.483 4.823 4.340 -0.001 0.000 0.271 325 R C 0.294 176.633 176.300 0.064 0.000 1.043 325 R CA 0.523 56.656 56.100 0.055 0.000 1.083 325 R CB 0.618 30.944 30.300 0.043 0.000 0.974 325 R HN 0.393 nan 8.270 nan 0.000 0.436 326 S N 2.211 117.939 115.700 0.048 0.000 2.549 326 S HA 0.111 4.581 4.470 -0.001 0.000 0.283 326 S C 0.857 175.456 174.600 -0.002 0.000 1.320 326 S CA -0.576 57.639 58.200 0.025 0.000 1.058 326 S CB 0.241 63.402 63.200 -0.065 0.000 0.882 326 S HN 0.626 nan 8.310 nan 0.000 0.498 327 L N 4.272 125.502 121.223 0.012 0.000 2.910 327 L HA 0.299 4.639 4.340 -0.001 0.000 0.252 327 L C 1.985 178.797 176.870 -0.096 0.000 1.195 327 L CA -0.066 54.774 54.840 0.001 0.000 1.003 327 L CB -0.158 41.938 42.059 0.063 0.000 1.328 327 L HN 0.739 nan 8.230 nan 0.000 0.540 328 E N 0.823 120.812 120.200 -0.353 0.000 2.070 328 E HA -0.241 4.108 4.350 -0.001 0.000 0.197 328 E C 0.857 177.077 176.600 -0.633 0.000 1.004 328 E CA 1.734 57.680 56.400 -0.756 0.000 0.805 328 E CB 0.112 28.934 29.700 -1.464 0.000 0.744 328 E HN 0.649 nan 8.360 nan 0.000 0.451 329 H N -1.232 117.756 119.070 -0.136 0.000 2.542 329 H HA 0.407 4.962 4.556 -0.001 0.000 0.283 329 H C -0.127 175.178 175.328 -0.039 0.000 1.059 329 H CA -0.131 55.871 56.048 -0.076 0.000 1.162 329 H CB 0.862 30.577 29.762 -0.079 0.000 1.539 329 H HN 0.100 nan 8.280 nan 0.000 0.543 330 A N 2.128 124.962 122.820 0.024 0.000 2.425 330 A HA 0.265 4.584 4.320 -0.001 0.000 0.242 330 A C -1.780 175.820 177.584 0.026 0.000 1.077 330 A CA -1.145 50.909 52.037 0.028 0.000 0.781 330 A CB -0.007 19.004 19.000 0.017 0.000 1.020 330 A HN 0.120 nan 8.150 nan 0.000 0.494 331 P HA 0.290 nan 4.420 nan 0.000 0.271 331 P C -0.096 177.207 177.300 0.005 0.000 1.218 331 P CA 0.043 63.151 63.100 0.012 0.000 0.780 331 P CB 0.514 32.216 31.700 0.004 0.000 0.901 332 T N -1.661 112.895 114.554 0.003 0.000 2.918 332 T HA 0.663 5.013 4.350 -0.001 0.000 0.286 332 T C -0.098 174.588 174.700 -0.023 0.000 1.026 332 T CA -0.819 61.281 62.100 -0.001 0.000 1.031 332 T CB 1.241 70.117 68.868 0.014 0.000 1.046 332 T HN 0.326 nan 8.240 nan 0.000 0.479 333 V N -0.987 118.904 119.914 -0.040 0.000 2.656 333 V HA 0.618 4.737 4.120 -0.001 0.000 0.307 333 V C -0.360 175.714 176.094 -0.033 0.000 1.051 333 V CA -1.194 61.060 62.300 -0.076 0.000 0.893 333 V CB 1.702 33.401 31.823 -0.208 0.000 0.999 333 V HN 0.862 nan 8.190 nan 0.000 0.426 334 E N 2.442 122.630 120.200 -0.019 0.000 2.406 334 E HA 0.291 4.641 4.350 -0.001 0.000 0.258 334 E C -0.075 176.543 176.600 0.031 0.000 1.043 334 E CA 0.429 56.833 56.400 0.006 0.000 0.929 334 E CB 0.900 30.605 29.700 0.007 0.000 0.969 334 E HN 0.869 nan 8.360 nan 0.000 0.462 335 T N 1.628 116.198 114.554 0.027 0.000 2.824 335 T HA 0.304 4.653 4.350 -0.001 0.000 0.282 335 T C -0.523 174.119 174.700 -0.096 0.000 0.993 335 T CA -0.652 61.474 62.100 0.044 0.000 0.967 335 T CB 1.855 70.778 68.868 0.091 0.000 0.960 335 T HN 0.268 nan 8.240 nan 0.000 0.441 336 V N 4.404 124.150 119.914 -0.280 0.000 2.407 336 V HA 0.679 4.799 4.120 -0.001 0.000 0.278 336 V C -0.621 175.276 176.094 -0.329 0.000 1.037 336 V CA -0.289 61.750 62.300 -0.434 0.000 0.900 336 V CB 0.801 32.200 31.823 -0.705 0.000 0.983 336 V HN 0.665 nan 8.190 nan 0.000 0.459 337 V N 7.057 126.901 119.914 -0.117 0.000 2.394 337 V HA 0.907 5.027 4.120 -0.001 0.000 0.282 337 V C 0.526 176.689 176.094 0.115 0.000 1.031 337 V CA 0.357 62.678 62.300 0.034 0.000 0.881 337 V CB 0.824 32.707 31.823 0.100 0.000 0.982 337 V HN 1.306 nan 8.190 nan 0.000 0.451 338 A N 3.574 126.476 122.820 0.137 0.000 2.569 338 A HA 0.982 5.301 4.320 -0.001 0.000 0.290 338 A C 0.081 177.685 177.584 0.033 0.000 1.136 338 A CA -0.088 51.983 52.037 0.056 0.000 0.710 338 A CB 1.725 20.832 19.000 0.177 0.000 1.303 338 A HN 0.981 nan 8.150 nan 0.000 0.413 339 G N -1.016 107.714 108.800 -0.116 0.000 2.583 339 G HA2 0.624 4.583 3.960 -0.001 0.000 0.280 339 G HA3 0.624 4.583 3.960 -0.001 0.000 0.280 339 G C -1.939 172.918 174.900 -0.072 0.000 1.376 339 G CA -0.841 44.215 45.100 -0.074 0.000 1.043 339 G HN 0.485 nan 8.290 nan 0.000 0.538 340 P HA 0.187 nan 4.420 nan 0.000 0.261 340 P C 0.418 177.630 177.300 -0.146 0.000 1.268 340 P CA -0.118 62.925 63.100 -0.096 0.000 0.833 340 P CB 0.411 32.065 31.700 -0.077 0.000 1.231 341 L N -0.085 121.016 121.223 -0.204 0.000 2.452 341 L HA 0.147 4.486 4.340 -0.001 0.000 0.267 341 L C 1.079 177.814 176.870 -0.225 0.000 1.188 341 L CA -0.436 54.234 54.840 -0.284 0.000 0.821 341 L CB 0.296 42.090 42.059 -0.441 0.000 1.102 341 L HN -0.101 nan 8.230 nan 0.000 0.470 342 C N 2.262 121.417 119.300 -0.241 0.000 2.687 342 C HA 0.229 4.689 4.460 -0.001 0.000 0.465 342 C C 0.472 175.393 174.990 -0.115 0.000 1.304 342 C CA -0.046 58.875 59.018 -0.161 0.000 1.620 342 C CB -1.849 25.805 27.740 -0.144 0.000 2.212 342 C HN 0.706 nan 8.230 nan 0.000 0.616 343 E N -0.404 119.740 120.200 -0.094 0.000 2.278 343 E HA 0.260 4.610 4.350 -0.001 0.000 0.272 343 E C 0.846 177.466 176.600 0.034 0.000 0.890 343 E CA -0.179 56.230 56.400 0.015 0.000 0.770 343 E CB 1.317 31.085 29.700 0.113 0.000 1.212 343 E HN 0.274 nan 8.360 nan 0.000 0.415 344 S N 2.413 118.147 115.700 0.056 0.000 2.400 344 S HA -0.130 4.340 4.470 -0.001 0.000 0.232 344 S C 1.750 176.402 174.600 0.087 0.000 1.025 344 S CA 1.033 59.262 58.200 0.049 0.000 0.993 344 S CB -0.343 62.881 63.200 0.041 0.000 0.808 344 S HN 0.631 nan 8.310 nan 0.000 0.478 345 G N 0.870 109.764 108.800 0.156 0.000 2.776 345 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.209 345 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.209 345 G C 0.331 175.378 174.900 0.245 0.000 1.145 345 G CA 0.247 45.454 45.100 0.179 0.000 0.791 345 G HN 0.524 nan 8.290 nan 0.000 0.530 346 D N 0.963 121.464 120.400 0.169 0.000 2.801 346 D HA 0.243 4.882 4.640 -0.001 0.000 0.232 346 D C -0.377 175.835 176.300 -0.146 0.000 1.128 346 D CA -0.030 53.975 54.000 0.007 0.000 1.003 346 D CB -0.025 40.666 40.800 -0.181 0.000 1.110 346 D HN -0.061 nan 8.370 nan 0.000 0.477 347 V N 2.888 122.725 119.914 -0.129 0.000 2.577 347 V HA 0.246 4.366 4.120 -0.001 0.000 0.303 347 V C 0.773 176.778 176.094 -0.148 0.000 1.042 347 V CA -0.701 61.526 62.300 -0.121 0.000 0.872 347 V CB 1.568 33.407 31.823 0.027 0.000 0.998 347 V HN 0.226 nan 8.190 nan 0.000 0.423 348 F N 1.384 121.365 119.950 0.052 0.000 2.512 348 F HA -0.016 4.511 4.527 -0.001 0.000 0.296 348 F C 1.798 177.597 175.800 -0.002 0.000 1.110 348 F CA 0.695 58.714 58.000 0.031 0.000 1.446 348 F CB 0.321 39.323 39.000 0.004 0.000 1.092 348 F HN 0.574 nan 8.300 nan 0.000 0.554 349 T N -0.091 114.539 114.554 0.126 0.000 3.281 349 T HA 0.406 4.756 4.350 -0.001 0.000 0.359 349 T C -0.534 174.189 174.700 0.039 0.000 1.459 349 T CA -0.658 61.472 62.100 0.050 0.000 1.114 349 T CB -0.115 68.750 68.868 -0.004 0.000 1.162 349 T HN 0.341 nan 8.240 nan 0.000 0.665 350 Q N 1.334 121.173 119.800 0.064 0.000 2.416 350 Q HA 0.492 4.831 4.340 -0.001 0.000 0.281 350 Q C -1.208 174.836 176.000 0.074 0.000 1.067 350 Q CA -1.218 54.619 55.803 0.057 0.000 0.809 350 Q CB 1.771 30.538 28.738 0.048 0.000 1.418 350 Q HN 0.473 nan 8.270 nan 0.000 0.411 351 Q N 0.692 120.531 119.800 0.065 0.000 2.256 351 Q HA 0.182 4.522 4.340 -0.001 0.000 0.232 351 Q C -0.620 175.417 176.000 0.062 0.000 0.965 351 Q CA -0.656 55.189 55.803 0.071 0.000 0.908 351 Q CB 1.111 29.885 28.738 0.060 0.000 1.209 351 Q HN 0.605 nan 8.270 nan 0.000 0.489 352 E N -0.333 119.908 120.200 0.069 0.000 2.608 352 E HA -0.067 4.283 4.350 -0.001 0.000 0.259 352 E C 0.452 177.075 176.600 0.038 0.000 0.951 352 E CA 1.139 57.576 56.400 0.062 0.000 0.945 352 E CB -0.050 29.692 29.700 0.070 0.000 0.916 352 E HN 0.815 nan 8.360 nan 0.000 0.477 353 G N 2.696 111.510 108.800 0.024 0.000 2.234 353 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.235 353 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.235 353 G C 0.844 175.749 174.900 0.009 0.000 0.997 353 G CA 0.212 45.319 45.100 0.010 0.000 0.623 353 G HN 1.500 nan 8.290 nan 0.000 0.514 354 G N -0.832 107.977 108.800 0.016 0.000 2.201 354 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.212 354 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.212 354 G C 0.037 174.955 174.900 0.029 0.000 0.994 354 G CA 0.550 45.661 45.100 0.017 0.000 0.644 354 G HN 1.190 nan 8.290 nan 0.000 0.508 355 N N 0.794 119.513 118.700 0.031 0.000 2.454 355 N HA 0.373 5.112 4.740 -0.001 0.000 0.260 355 N C 0.626 176.160 175.510 0.040 0.000 1.218 355 N CA 0.123 53.194 53.050 0.035 0.000 0.904 355 N CB 1.347 39.853 38.487 0.033 0.000 1.065 355 N HN 0.211 nan 8.380 nan 0.000 0.462 356 V N 2.363 122.303 119.914 0.043 0.000 2.637 356 V HA 0.094 4.214 4.120 -0.001 0.000 0.296 356 V C 0.644 176.749 176.094 0.019 0.000 1.046 356 V CA 0.142 62.462 62.300 0.034 0.000 1.066 356 V CB 0.320 32.174 31.823 0.052 0.000 0.968 356 V HN 0.774 nan 8.190 nan 0.000 0.483 357 E N 2.424 122.626 120.200 0.004 0.000 2.433 357 E HA 0.741 5.090 4.350 -0.001 0.000 0.273 357 E C -0.820 175.765 176.600 -0.025 0.000 0.950 357 E CA -0.982 55.423 56.400 0.007 0.000 0.796 357 E CB 2.080 31.804 29.700 0.040 0.000 1.330 357 E HN 0.596 nan 8.360 nan 0.000 0.455 358 T N -0.880 113.666 114.554 -0.012 0.000 2.952 358 T HA 0.714 5.064 4.350 -0.001 0.000 0.286 358 T C -0.382 174.322 174.700 0.007 0.000 1.024 358 T CA -1.021 61.063 62.100 -0.027 0.000 1.029 358 T CB 1.590 70.445 68.868 -0.020 0.000 1.094 358 T HN 0.503 nan 8.240 nan 0.000 0.515 359 R N 0.201 120.701 120.500 -0.001 0.000 2.574 359 R HA 0.663 5.002 4.340 -0.001 0.000 0.288 359 R C -0.725 175.584 176.300 0.015 0.000 1.004 359 R CA -0.394 55.715 56.100 0.015 0.000 0.895 359 R CB 1.509 31.796 30.300 -0.022 0.000 1.191 359 R HN 1.035 nan 8.270 nan 0.000 0.444 360 A N 5.426 128.265 122.820 0.032 0.000 2.476 360 A HA 0.444 4.764 4.320 -0.001 0.000 0.275 360 A C -0.729 176.867 177.584 0.019 0.000 1.133 360 A CA 0.183 52.236 52.037 0.027 0.000 0.797 360 A CB -0.327 18.697 19.000 0.040 0.000 1.081 360 A HN 0.622 nan 8.150 nan 0.000 0.510 361 L N 3.720 124.952 121.223 0.016 0.000 2.434 361 L HA 0.437 4.777 4.340 -0.001 0.000 0.260 361 L C -2.467 174.416 176.870 0.022 0.000 0.983 361 L CA -2.404 52.446 54.840 0.017 0.000 0.820 361 L CB 2.807 44.875 42.059 0.015 0.000 1.361 361 L HN 0.376 nan 8.230 nan 0.000 0.410 362 P HA -0.056 nan 4.420 nan 0.000 0.267 362 P C -0.845 176.475 177.300 0.034 0.000 1.201 362 P CA -0.049 63.069 63.100 0.028 0.000 0.775 362 P CB 0.438 32.162 31.700 0.040 0.000 0.854 363 E N 1.753 121.966 120.200 0.023 0.000 1.802 363 E HA 0.189 4.538 4.350 -0.001 0.000 0.265 363 E C -0.003 176.632 176.600 0.059 0.000 1.168 363 E CA -0.617 55.803 56.400 0.034 0.000 1.033 363 E CB -0.235 29.457 29.700 -0.013 0.000 1.095 363 E HN 0.208 nan 8.360 nan 0.000 0.436 364 V N 0.882 120.841 119.914 0.075 0.000 3.264 364 V HA 0.395 4.514 4.120 -0.001 0.000 0.304 364 V C 0.137 176.262 176.094 0.051 0.000 1.086 364 V CA -0.503 61.828 62.300 0.053 0.000 1.090 364 V CB 1.127 32.974 31.823 0.039 0.000 1.112 364 V HN 0.392 nan 8.190 nan 0.000 0.472 365 K N 0.620 121.032 120.400 0.019 0.000 2.395 365 K HA 0.766 5.086 4.320 -0.001 0.000 0.245 365 K C -0.336 176.244 176.600 -0.034 0.000 1.017 365 K CA -0.557 55.733 56.287 0.006 0.000 0.852 365 K CB 2.111 34.614 32.500 0.006 0.000 1.311 365 K HN 1.083 nan 8.250 nan 0.000 0.452 366 A N 0.335 123.131 122.820 -0.040 0.000 2.565 366 A HA 0.370 4.690 4.320 -0.001 0.000 0.237 366 A C 1.116 178.639 177.584 -0.103 0.000 1.053 366 A CA 1.467 53.460 52.037 -0.073 0.000 0.755 366 A CB -0.875 18.091 19.000 -0.056 0.000 0.980 366 A HN 0.925 nan 8.150 nan 0.000 0.506 367 G N 1.917 110.609 108.800 -0.179 0.000 2.308 367 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.221 367 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.221 367 G C 0.105 174.787 174.900 -0.364 0.000 1.032 367 G CA 0.329 45.293 45.100 -0.227 0.000 0.623 367 G HN 0.808 nan 8.290 nan 0.000 0.506 368 D N 0.073 120.324 120.400 -0.248 0.000 2.371 368 D HA 0.572 5.212 4.640 -0.001 0.000 0.242 368 D C 0.016 176.080 176.300 -0.393 0.000 1.218 368 D CA 0.365 54.255 54.000 -0.182 0.000 0.945 368 D CB 0.378 41.154 40.800 -0.040 0.000 1.137 368 D HN 0.297 nan 8.370 nan 0.000 0.464 369 Y N -0.860 119.440 120.300 0.000 0.000 2.549 369 Y HA 0.494 5.043 4.550 -0.001 0.000 0.339 369 Y C 0.077 175.965 175.900 -0.020 0.000 1.053 369 Y CA -0.887 57.203 58.100 -0.016 0.000 1.105 369 Y CB 1.392 39.839 38.460 -0.022 0.000 1.258 369 Y HN -0.031 nan 8.280 nan 0.000 0.478 370 L N 2.284 123.574 121.223 0.113 0.000 2.346 370 L HA 0.685 5.024 4.340 -0.001 0.000 0.274 370 L C -1.134 175.734 176.870 -0.005 0.000 1.007 370 L CA -1.224 53.637 54.840 0.036 0.000 0.818 370 L CB 1.930 43.981 42.059 -0.013 0.000 1.284 370 L HN 0.298 nan 8.230 nan 0.000 0.424 371 V N 4.033 123.930 119.914 -0.028 0.000 2.384 371 V HA 0.365 4.485 4.120 -0.001 0.000 0.287 371 V C -0.022 176.025 176.094 -0.078 0.000 1.020 371 V CA -0.449 61.790 62.300 -0.101 0.000 0.850 371 V CB 1.841 33.559 31.823 -0.175 0.000 0.987 371 V HN 0.485 nan 8.190 nan 0.000 0.436 372 L N 5.571 126.713 121.223 -0.134 0.000 2.260 372 L HA 0.459 4.799 4.340 -0.001 0.000 0.289 372 L C 0.046 176.937 176.870 0.035 0.000 1.057 372 L CA -0.359 54.435 54.840 -0.077 0.000 0.811 372 L CB 0.446 42.338 42.059 -0.278 0.000 1.184 372 L HN 0.654 nan 8.230 nan 0.000 0.429 373 H N 2.233 121.365 119.070 0.103 0.000 2.603 373 H HA 0.146 4.701 4.556 -0.001 0.000 0.370 373 H C -0.145 175.397 175.328 0.358 0.000 1.225 373 H CA -0.198 55.976 56.048 0.210 0.000 1.410 373 H CB 0.511 30.422 29.762 0.249 0.000 1.495 373 H HN 0.533 nan 8.280 nan 0.000 0.602 374 D N 0.150 120.819 120.400 0.447 0.000 2.699 374 D HA -0.154 4.485 4.640 -0.001 0.000 0.239 374 D C 0.262 176.907 176.300 0.575 0.000 1.136 374 D CA 1.324 55.608 54.000 0.473 0.000 0.668 374 D CB -1.629 39.494 40.800 0.538 0.000 1.060 374 D HN 0.765 nan 8.370 nan 0.000 0.429 375 T N -4.307 110.451 114.554 0.341 0.000 3.176 375 T HA 0.405 4.755 4.350 -0.001 0.000 0.263 375 T C 1.759 176.575 174.700 0.193 0.000 1.021 375 T CA 0.359 62.623 62.100 0.273 0.000 0.905 375 T CB 0.785 69.781 68.868 0.214 0.000 1.057 375 T HN 0.195 nan 8.240 nan 0.000 0.558 376 G N 1.287 110.211 108.800 0.207 0.000 2.443 376 G HA2 0.362 4.322 3.960 -0.001 0.000 0.219 376 G HA3 0.362 4.322 3.960 -0.001 0.000 0.219 376 G C 0.615 175.611 174.900 0.159 0.000 1.131 376 G CA 0.254 45.499 45.100 0.242 0.000 0.775 376 G HN 0.853 nan 8.290 nan 0.000 0.547 377 A N -1.087 121.822 122.820 0.148 0.000 2.318 377 A HA 0.639 4.958 4.320 -0.001 0.000 0.324 377 A C -0.110 177.508 177.584 0.057 0.000 1.170 377 A CA -0.816 51.209 52.037 -0.021 0.000 0.810 377 A CB 0.349 19.381 19.000 0.053 0.000 1.198 377 A HN 0.707 nan 8.150 nan 0.000 0.484 378 Y N 0.453 120.813 120.300 0.100 0.000 3.589 378 Y HA -0.341 4.209 4.550 -0.001 0.000 0.218 378 Y C 1.429 177.378 175.900 0.082 0.000 1.234 378 Y CA 0.797 58.953 58.100 0.093 0.000 1.576 378 Y CB -1.535 37.011 38.460 0.143 0.000 1.487 378 Y HN 0.932 nan 8.280 nan 0.000 0.616 379 G N -0.391 108.403 108.800 -0.010 0.000 2.543 379 G HA2 0.296 4.256 3.960 -0.001 0.000 0.221 379 G HA3 0.296 4.256 3.960 -0.001 0.000 0.221 379 G C 1.484 176.089 174.900 -0.491 0.000 1.902 379 G CA 0.233 45.225 45.100 -0.180 0.000 0.838 379 G HN 0.529 nan 8.290 nan 0.000 0.650 380 A N 0.922 122.981 122.820 -1.268 0.000 1.986 380 A HA -0.087 4.232 4.320 -0.001 0.000 0.220 380 A C 2.658 180.077 177.584 -0.275 0.000 1.171 380 A CA 3.004 54.483 52.037 -0.932 0.000 0.640 380 A CB -0.867 17.448 19.000 -1.141 0.000 0.811 380 A HN 0.966 nan 8.150 nan 0.000 0.451 381 S N -0.804 114.775 115.700 -0.201 0.000 2.423 381 S HA -0.073 4.396 4.470 -0.001 0.000 0.231 381 S C 1.756 176.377 174.600 0.036 0.000 1.014 381 S CA 1.555 59.715 58.200 -0.067 0.000 0.965 381 S CB -0.455 62.695 63.200 -0.084 0.000 0.785 381 S HN 0.538 nan 8.310 nan 0.000 0.495 382 M N 1.631 121.282 119.600 0.085 0.000 2.502 382 M HA 0.227 4.707 4.480 -0.001 0.000 0.243 382 M C 0.250 176.641 176.300 0.151 0.000 1.130 382 M CA -0.152 55.233 55.300 0.141 0.000 1.055 382 M CB -0.026 32.692 32.600 0.197 0.000 1.457 382 M HN 0.133 nan 8.290 nan 0.000 0.488 383 S N 1.661 117.461 115.700 0.166 0.000 2.558 383 S HA 0.097 4.566 4.470 -0.001 0.000 0.287 383 S C 0.494 175.208 174.600 0.189 0.000 1.321 383 S CA -0.220 58.120 58.200 0.233 0.000 1.048 383 S CB 0.401 63.778 63.200 0.296 0.000 0.844 383 S HN 0.519 nan 8.310 nan 0.000 0.512 384 S N 1.145 116.972 115.700 0.212 0.000 2.745 384 S HA 0.467 4.937 4.470 -0.001 0.000 0.306 384 S C -0.308 174.402 174.600 0.182 0.000 1.137 384 S CA -1.064 57.245 58.200 0.182 0.000 0.900 384 S CB 0.992 64.308 63.200 0.193 0.000 1.176 384 S HN 0.597 nan 8.310 nan 0.000 0.520 385 N N -0.463 118.334 118.700 0.163 0.000 2.279 385 N HA 0.202 4.942 4.740 -0.001 0.000 0.226 385 N C -1.083 174.528 175.510 0.168 0.000 1.126 385 N CA -0.260 52.873 53.050 0.138 0.000 0.846 385 N CB 0.007 38.556 38.487 0.103 0.000 1.050 385 N HN 0.528 nan 8.380 nan 0.000 0.502 386 Y N 2.104 122.432 120.300 0.048 0.000 2.811 386 Y HA -0.118 4.432 4.550 -0.001 0.000 0.334 386 Y C 0.609 176.488 175.900 -0.035 0.000 1.247 386 Y CA 0.168 58.278 58.100 0.016 0.000 1.526 386 Y CB 0.141 38.623 38.460 0.035 0.000 1.284 386 Y HN 0.244 nan 8.280 nan 0.000 0.586 387 N N 1.899 120.360 118.700 -0.399 0.000 2.776 387 N HA -0.236 4.504 4.740 -0.001 0.000 0.250 387 N C -0.079 175.338 175.510 -0.155 0.000 1.112 387 N CA 1.287 54.104 53.050 -0.387 0.000 0.733 387 N CB -1.730 36.456 38.487 -0.502 0.000 1.097 387 N HN 0.589 nan 8.380 nan 0.000 0.558 388 S N -1.395 114.271 115.700 -0.057 0.000 3.550 388 S HA -0.289 4.181 4.470 -0.001 0.000 0.372 388 S C 0.208 174.798 174.600 -0.018 0.000 0.966 388 S CA 0.972 59.163 58.200 -0.016 0.000 1.229 388 S CB -0.783 62.404 63.200 -0.023 0.000 0.917 388 S HN 0.446 nan 8.310 nan 0.000 0.496 389 R N 0.751 121.248 120.500 -0.004 0.000 2.445 389 R HA 0.487 4.826 4.340 -0.001 0.000 0.308 389 R C -2.883 173.443 176.300 0.044 0.000 0.961 389 R CA -2.124 53.978 56.100 0.004 0.000 0.862 389 R CB 1.093 31.384 30.300 -0.015 0.000 1.144 389 R HN 0.095 nan 8.270 nan 0.000 0.447 390 P HA 0.121 nan 4.420 nan 0.000 0.282 390 P C -0.451 176.905 177.300 0.093 0.000 1.249 390 P CA -0.542 62.596 63.100 0.063 0.000 0.806 390 P CB 0.669 32.398 31.700 0.049 0.000 0.984 391 L N 2.356 123.649 121.223 0.116 0.000 2.559 391 L HA -0.026 4.314 4.340 -0.001 0.000 0.282 391 L C 0.789 177.760 176.870 0.168 0.000 1.232 391 L CA 0.274 55.214 54.840 0.166 0.000 0.885 391 L CB -0.469 41.681 42.059 0.152 0.000 1.131 391 L HN 0.245 nan 8.230 nan 0.000 0.498 392 L N 4.954 126.317 121.223 0.233 0.000 2.466 392 L HA 0.320 4.660 4.340 -0.001 0.000 0.257 392 L C -1.859 175.147 176.870 0.226 0.000 1.189 392 L CA -1.802 53.138 54.840 0.167 0.000 0.813 392 L CB 0.342 42.414 42.059 0.021 0.000 1.118 392 L HN 0.429 nan 8.230 nan 0.000 0.471 393 P HA 0.150 nan 4.420 nan 0.000 0.274 393 P C -1.295 176.133 177.300 0.213 0.000 1.231 393 P CA -0.307 62.878 63.100 0.142 0.000 0.790 393 P CB 0.821 32.574 31.700 0.087 0.000 0.951 394 E N 0.336 120.638 120.200 0.171 0.000 2.222 394 E HA 0.493 4.842 4.350 -0.001 0.000 0.267 394 E C -1.025 175.575 176.600 0.001 0.000 0.884 394 E CA -1.047 55.486 56.400 0.223 0.000 0.764 394 E CB 2.179 32.058 29.700 0.299 0.000 1.169 394 E HN 0.120 nan 8.360 nan 0.000 0.413 395 V N 3.254 123.141 119.914 -0.045 0.000 2.656 395 V HA 0.350 4.470 4.120 -0.001 0.000 0.307 395 V C -1.012 175.020 176.094 -0.103 0.000 1.051 395 V CA -0.861 61.256 62.300 -0.306 0.000 0.893 395 V CB 1.828 33.279 31.823 -0.621 0.000 0.999 395 V HN 0.468 nan 8.190 nan 0.000 0.426 396 L N 4.971 126.088 121.223 -0.176 0.000 2.305 396 L HA 0.626 4.966 4.340 -0.001 0.000 0.284 396 L C -0.972 175.832 176.870 -0.109 0.000 1.013 396 L CA 0.071 54.881 54.840 -0.050 0.000 0.819 396 L CB 1.083 43.108 42.059 -0.057 0.000 1.227 396 L HN 0.487 nan 8.230 nan 0.000 0.417 397 F N 3.668 123.606 119.950 -0.019 0.000 2.420 397 F HA 0.363 4.889 4.527 -0.001 0.000 0.352 397 F C 0.216 175.999 175.800 -0.028 0.000 1.108 397 F CA 0.017 58.001 58.000 -0.027 0.000 1.162 397 F CB 1.088 40.071 39.000 -0.028 0.000 1.118 397 F HN 0.461 nan 8.300 nan 0.000 0.510 398 D N 4.687 125.209 120.400 0.203 0.000 2.542 398 D HA 0.108 4.747 4.640 -0.001 0.000 0.252 398 D C -0.910 175.455 176.300 0.107 0.000 1.222 398 D CA -0.398 53.666 54.000 0.106 0.000 0.895 398 D CB 0.614 41.441 40.800 0.044 0.000 1.207 398 D HN 0.590 nan 8.370 nan 0.000 0.558 399 N N 3.119 121.861 118.700 0.069 0.000 2.666 399 N HA -0.236 4.504 4.740 -0.001 0.000 0.274 399 N C 0.878 176.434 175.510 0.076 0.000 1.043 399 N CA 1.755 54.829 53.050 0.041 0.000 0.782 399 N CB -1.616 36.882 38.487 0.018 0.000 0.912 399 N HN 0.794 nan 8.380 nan 0.000 0.556 400 G N -1.089 107.773 108.800 0.104 0.000 2.267 400 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.257 400 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.257 400 G C -0.343 174.768 174.900 0.352 0.000 0.998 400 G CA 0.670 45.859 45.100 0.149 0.000 0.620 400 G HN 0.775 nan 8.290 nan 0.000 0.529 401 Q N 0.726 120.701 119.800 0.293 0.000 2.314 401 Q HA 0.719 5.058 4.340 -0.001 0.000 0.259 401 Q C 0.228 176.244 176.000 0.026 0.000 0.951 401 Q CA 0.293 56.198 55.803 0.170 0.000 0.909 401 Q CB 1.525 30.311 28.738 0.080 0.000 1.236 401 Q HN 0.858 nan 8.270 nan 0.000 0.444 402 A N 3.929 126.603 122.820 -0.244 0.000 2.301 402 A HA 0.673 4.992 4.320 -0.001 0.000 0.298 402 A C -0.039 177.389 177.584 -0.260 0.000 1.185 402 A CA -0.579 51.080 52.037 -0.630 0.000 0.830 402 A CB 0.428 18.871 19.000 -0.929 0.000 1.112 402 A HN 0.760 nan 8.150 nan 0.000 0.508 403 R N 2.663 122.969 120.500 -0.324 0.000 2.686 403 R HA 0.615 4.955 4.340 -0.001 0.000 0.283 403 R C -1.277 174.798 176.300 -0.374 0.000 0.978 403 R CA -0.855 55.110 56.100 -0.225 0.000 0.897 403 R CB 1.198 31.410 30.300 -0.148 0.000 1.192 403 R HN 0.540 nan 8.270 nan 0.000 0.457 404 L N 5.104 126.146 121.223 -0.302 0.000 2.477 404 L HA 0.136 4.475 4.340 -0.001 0.000 0.272 404 L C 0.728 177.447 176.870 -0.252 0.000 1.157 404 L CA 0.180 54.844 54.840 -0.293 0.000 0.889 404 L CB 0.589 42.612 42.059 -0.059 0.000 1.158 404 L HN 0.899 nan 8.230 nan 0.000 0.473 405 I N 1.389 121.823 120.570 -0.227 0.000 4.227 405 I HA 0.333 4.502 4.170 -0.001 0.000 0.334 405 I C 0.495 176.593 176.117 -0.031 0.000 1.341 405 I CA -0.241 60.903 61.300 -0.261 0.000 1.123 405 I CB 0.330 38.197 38.000 -0.222 0.000 1.097 405 I HN 0.528 nan 8.210 nan 0.000 0.399 406 R N 2.693 123.194 120.500 0.002 0.000 2.508 406 R HA 0.424 4.764 4.340 -0.001 0.000 0.283 406 R C -0.750 175.588 176.300 0.063 0.000 1.120 406 R CA -0.618 55.521 56.100 0.065 0.000 0.958 406 R CB 1.714 32.076 30.300 0.104 0.000 1.215 406 R HN 0.318 nan 8.270 nan 0.000 0.427 407 R N 2.824 123.364 120.500 0.066 0.000 2.615 407 R HA 0.278 4.617 4.340 -0.001 0.000 0.270 407 R C -0.343 176.007 176.300 0.082 0.000 1.081 407 R CA -0.728 55.415 56.100 0.072 0.000 1.154 407 R CB 0.872 31.210 30.300 0.063 0.000 1.063 407 R HN 0.462 nan 8.270 nan 0.000 0.519 408 R N 1.891 122.440 120.500 0.081 0.000 2.522 408 R HA -0.088 4.251 4.340 -0.001 0.000 0.284 408 R C -0.133 176.208 176.300 0.069 0.000 1.032 408 R CA 0.148 56.295 56.100 0.078 0.000 1.049 408 R CB 0.622 30.960 30.300 0.064 0.000 0.956 408 R HN 0.738 nan 8.270 nan 0.000 0.422 409 Q N 1.905 121.751 119.800 0.075 0.000 2.454 409 Q HA 0.039 4.378 4.340 -0.001 0.000 0.247 409 Q C -0.777 175.253 176.000 0.050 0.000 1.028 409 Q CA 0.346 56.187 55.803 0.064 0.000 0.910 409 Q CB 1.035 29.817 28.738 0.072 0.000 1.276 409 Q HN 0.594 nan 8.270 nan 0.000 0.489 410 T N 2.094 116.673 114.554 0.042 0.000 2.912 410 T HA 0.239 4.588 4.350 -0.001 0.000 0.288 410 T C 0.785 175.502 174.700 0.029 0.000 1.030 410 T CA -0.678 61.441 62.100 0.032 0.000 1.020 410 T CB 1.024 69.910 68.868 0.029 0.000 1.056 410 T HN 0.644 nan 8.240 nan 0.000 0.480 411 I N 2.241 122.824 120.570 0.022 0.000 2.454 411 I HA -0.039 4.130 4.170 -0.001 0.000 0.254 411 I C 1.878 178.005 176.117 0.018 0.000 1.156 411 I CA 1.747 63.058 61.300 0.018 0.000 1.433 411 I CB -0.112 37.894 38.000 0.010 0.000 1.082 411 I HN 0.635 nan 8.210 nan 0.000 0.432 412 E N 0.658 120.868 120.200 0.017 0.000 2.077 412 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 412 E C 2.109 178.720 176.600 0.019 0.000 0.989 412 E CA 1.575 57.985 56.400 0.016 0.000 0.800 412 E CB -0.271 29.438 29.700 0.014 0.000 0.746 412 E HN 0.573 nan 8.360 nan 0.000 0.452 413 E N -0.058 120.155 120.200 0.023 0.000 2.153 413 E HA -0.141 4.209 4.350 -0.001 0.000 0.194 413 E C 1.884 178.499 176.600 0.026 0.000 0.988 413 E CA 0.716 57.131 56.400 0.025 0.000 0.811 413 E CB -0.051 29.667 29.700 0.030 0.000 0.746 413 E HN 0.246 nan 8.360 nan 0.000 0.466 414 L N 0.183 121.422 121.223 0.028 0.000 2.179 414 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 414 L C 2.207 179.091 176.870 0.024 0.000 1.096 414 L CA 0.498 55.355 54.840 0.029 0.000 0.779 414 L CB -0.128 41.950 42.059 0.033 0.000 0.922 414 L HN 0.143 nan 8.230 nan 0.000 0.443 415 L N -0.299 120.936 121.223 0.020 0.000 2.217 415 L HA -0.085 4.254 4.340 -0.001 0.000 0.211 415 L C 2.817 179.696 176.870 0.015 0.000 1.107 415 L CA 0.697 55.547 54.840 0.016 0.000 0.783 415 L CB -0.632 41.435 42.059 0.012 0.000 0.919 415 L HN 0.216 nan 8.230 nan 0.000 0.442 416 A N 0.438 123.267 122.820 0.016 0.000 2.024 416 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 416 A C 2.202 179.795 177.584 0.015 0.000 1.164 416 A CA 1.344 53.390 52.037 0.015 0.000 0.643 416 A CB -0.627 18.382 19.000 0.016 0.000 0.806 416 A HN 0.417 nan 8.150 nan 0.000 0.451 417 L N -1.214 120.019 121.223 0.017 0.000 2.201 417 L HA -0.144 4.196 4.340 -0.001 0.000 0.212 417 L C 2.092 178.971 176.870 0.015 0.000 1.105 417 L CA 1.426 56.276 54.840 0.017 0.000 0.775 417 L CB -0.429 41.642 42.059 0.021 0.000 0.913 417 L HN 0.468 nan 8.230 nan 0.000 0.440 418 E N -0.356 119.853 120.200 0.015 0.000 2.460 418 E HA 0.145 4.495 4.350 -0.001 0.000 0.200 418 E C 0.421 177.027 176.600 0.010 0.000 1.011 418 E CA -0.112 56.296 56.400 0.013 0.000 0.912 418 E CB 0.465 30.173 29.700 0.014 0.000 0.953 418 E HN 0.362 nan 8.360 nan 0.000 0.494 419 L N 2.803 124.033 121.223 0.010 0.000 2.389 419 L HA 0.275 4.615 4.340 -0.001 0.000 0.265 419 L C -0.265 176.610 176.870 0.008 0.000 1.167 419 L CA -0.201 54.644 54.840 0.008 0.000 1.045 419 L CB -0.034 42.030 42.059 0.008 0.000 1.351 419 L HN -0.025 nan 8.230 nan 0.000 0.419 420 L N 0.000 121.227 121.223 0.007 0.000 2.949 420 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 420 L CA 0.000 54.844 54.840 0.007 0.000 0.813 420 L CB 0.000 42.063 42.059 0.007 0.000 0.961 420 L HN 0.000 nan 8.230 nan 0.000 0.502