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 3jzu_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKIKQVHVRA SKIKLKETFT IALGTIESAD SAIVEIETEE GLVGYGEGGP DATA SEQUENCE GIFITGETLA GTLETIELFG QAIIGLNPFN IEKIHEVMDK ISAFAPAAKA DATA SEQUENCE AIDIACYDLM GQKAQLPLYQ LLGGYDNQVI TDITLGIDEP NVMAQKAVEK DATA SEQUENCE VKLGFDTLKI KVGTGIEADI ARVKAIREAV GFDIKLRLDA NQAWTPKDAV DATA SEQUENCE KAIQALADYQ IELVEQPVKR RDLEGLKYVT SQVNTTIMAD ESCFDAQDAL DATA SEQUENCE ELVKKGTVDV INIKLMKCGG IHEALKINQI CETAGIECMI GCMAEETTIG DATA SEQUENCE ITAAAHLAAA QKNITRADLD ATFGLETAPV TGGVSLEAKP LLELGEAAGL DATA SEQUENCE GISH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.310 176.300 0.017 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.661 32.600 0.102 0.000 1.302 2 K N 4.604 125.000 120.400 -0.006 0.000 2.468 2 K HA 0.605 4.926 4.320 0.001 0.000 0.252 2 K C -1.252 175.323 176.600 -0.043 0.000 0.932 2 K CA -0.724 55.549 56.287 -0.024 0.000 0.794 2 K CB 2.687 35.174 32.500 -0.022 0.000 1.241 2 K HN 0.647 nan 8.250 nan 0.000 0.428 3 I N 3.158 123.693 120.570 -0.057 0.000 2.533 3 I HA -0.027 4.143 4.170 0.001 0.000 0.284 3 I C 1.377 177.452 176.117 -0.070 0.000 1.109 3 I CA 0.432 61.687 61.300 -0.076 0.000 1.412 3 I CB 0.719 38.667 38.000 -0.087 0.000 1.396 3 I HN 0.681 nan 8.210 nan 0.000 0.543 4 K N 4.121 124.473 120.400 -0.081 0.000 2.262 4 K HA 0.088 4.409 4.320 0.001 0.000 0.200 4 K C 0.391 176.933 176.600 -0.097 0.000 1.058 4 K CA 0.505 56.747 56.287 -0.075 0.000 0.974 4 K CB 0.527 32.986 32.500 -0.068 0.000 0.910 4 K HN 0.565 nan 8.250 nan 0.000 0.484 5 Q N -0.100 119.612 119.800 -0.147 0.000 2.435 5 Q HA 0.374 4.715 4.340 0.001 0.000 0.282 5 Q C -2.097 173.743 176.000 -0.266 0.000 1.020 5 Q CA -0.738 54.938 55.803 -0.210 0.000 0.820 5 Q CB 2.576 31.139 28.738 -0.293 0.000 1.436 5 Q HN -0.045 nan 8.270 nan 0.000 0.395 6 V N 3.139 122.908 119.914 -0.242 0.000 2.483 6 V HA 0.537 4.658 4.120 0.001 0.000 0.297 6 V C -1.020 175.017 176.094 -0.096 0.000 1.027 6 V CA -0.594 61.605 62.300 -0.169 0.000 0.855 6 V CB 1.725 33.508 31.823 -0.066 0.000 0.995 6 V HN 0.844 nan 8.190 nan 0.000 0.424 7 H N 2.176 121.224 119.070 -0.037 0.000 2.572 7 H HA 0.788 5.345 4.556 0.001 0.000 0.359 7 H C -0.989 174.327 175.328 -0.020 0.000 1.134 7 H CA -0.803 55.230 56.048 -0.025 0.000 1.187 7 H CB 2.652 32.403 29.762 -0.018 0.000 1.597 7 H HN 0.484 nan 8.280 nan 0.000 0.524 8 V N 3.648 123.630 119.914 0.113 0.000 2.876 8 V HA 0.594 4.715 4.120 0.001 0.000 0.312 8 V C -1.141 174.971 176.094 0.029 0.000 1.085 8 V CA -0.593 61.739 62.300 0.053 0.000 0.945 8 V CB 1.930 33.766 31.823 0.022 0.000 1.017 8 V HN 0.943 nan 8.190 nan 0.000 0.428 9 R N 4.766 125.283 120.500 0.027 0.000 2.774 9 R HA 0.911 5.251 4.340 0.001 0.000 0.272 9 R C -0.828 175.477 176.300 0.009 0.000 1.000 9 R CA -0.449 55.658 56.100 0.013 0.000 0.906 9 R CB 1.982 32.296 30.300 0.023 0.000 1.227 9 R HN 0.890 nan 8.270 nan 0.000 0.468 10 A N 0.956 123.775 122.820 -0.002 0.000 2.322 10 A HA 0.500 4.821 4.320 0.001 0.000 0.269 10 A C -0.446 177.139 177.584 0.002 0.000 1.094 10 A CA -0.354 51.679 52.037 -0.006 0.000 0.807 10 A CB 1.070 20.063 19.000 -0.012 0.000 1.047 10 A HN 0.643 nan 8.150 nan 0.000 0.487 11 S N 0.640 116.340 115.700 -0.001 0.000 2.672 11 S HA 0.531 5.001 4.470 0.001 0.000 0.291 11 S C -1.077 173.520 174.600 -0.006 0.000 1.145 11 S CA -0.701 57.501 58.200 0.002 0.000 1.013 11 S CB 0.412 63.617 63.200 0.008 0.000 1.017 11 S HN 0.580 nan 8.310 nan 0.000 0.487 12 K N 4.698 125.096 120.400 -0.003 0.000 2.483 12 K HA 0.532 4.853 4.320 0.001 0.000 0.256 12 K C -1.130 175.469 176.600 -0.002 0.000 0.961 12 K CA -0.686 55.598 56.287 -0.005 0.000 0.873 12 K CB 1.273 33.771 32.500 -0.004 0.000 1.107 12 K HN 0.474 nan 8.250 nan 0.000 0.432 13 I N 3.057 123.625 120.570 -0.004 0.000 2.418 13 I HA 0.243 4.414 4.170 0.001 0.000 0.287 13 I C -0.005 176.114 176.117 0.004 0.000 1.008 13 I CA -1.043 60.257 61.300 0.001 0.000 1.104 13 I CB 1.485 39.483 38.000 -0.003 0.000 1.264 13 I HN 0.414 nan 8.210 nan 0.000 0.438 14 K N 6.099 126.505 120.400 0.011 0.000 2.326 14 K HA 0.403 4.724 4.320 0.001 0.000 0.275 14 K C -0.721 175.894 176.600 0.025 0.000 1.018 14 K CA -0.037 56.261 56.287 0.018 0.000 0.962 14 K CB 0.543 33.055 32.500 0.020 0.000 0.953 14 K HN 0.496 nan 8.250 nan 0.000 0.475 15 L N 5.016 126.260 121.223 0.035 0.000 2.350 15 L HA 0.248 4.588 4.340 0.001 0.000 0.275 15 L C 1.322 178.231 176.870 0.066 0.000 1.099 15 L CA -0.402 54.468 54.840 0.051 0.000 0.808 15 L CB 1.082 43.182 42.059 0.069 0.000 1.149 15 L HN 0.735 nan 8.230 nan 0.000 0.442 16 K N 0.964 121.410 120.400 0.077 0.000 2.211 16 K HA -0.029 4.292 4.320 0.001 0.000 0.203 16 K C -0.166 176.484 176.600 0.085 0.000 1.050 16 K CA 1.122 57.454 56.287 0.075 0.000 0.945 16 K CB 0.193 32.741 32.500 0.081 0.000 0.732 16 K HN 0.582 nan 8.250 nan 0.000 0.451 17 E N -0.200 120.075 120.200 0.125 0.000 2.390 17 E HA 0.084 4.434 4.350 0.001 0.000 0.277 17 E C -1.198 175.504 176.600 0.170 0.000 0.939 17 E CA -0.625 55.846 56.400 0.119 0.000 0.769 17 E CB 2.057 31.822 29.700 0.108 0.000 1.251 17 E HN 0.024 nan 8.360 nan 0.000 0.450 18 T N -0.706 113.911 114.554 0.104 0.000 2.794 18 T HA 0.416 4.766 4.350 0.001 0.000 0.296 18 T C -0.393 174.386 174.700 0.131 0.000 0.949 18 T CA -0.358 61.815 62.100 0.122 0.000 1.101 18 T CB 0.033 68.939 68.868 0.063 0.000 0.905 18 T HN 0.183 nan 8.240 nan 0.000 0.516 19 F N 2.168 122.135 119.950 0.029 0.000 2.399 19 F HA 0.519 5.047 4.527 0.001 0.000 0.334 19 F C 0.871 176.689 175.800 0.029 0.000 1.097 19 F CA -0.367 57.648 58.000 0.026 0.000 1.076 19 F CB 1.993 41.012 39.000 0.032 0.000 1.162 19 F HN 0.647 nan 8.300 nan 0.000 0.495 20 T N 5.715 120.286 114.554 0.028 0.000 2.841 20 T HA 0.729 5.079 4.350 0.001 0.000 0.283 20 T C -0.542 174.159 174.700 0.001 0.000 1.000 20 T CA -0.489 61.616 62.100 0.007 0.000 0.977 20 T CB 1.260 70.093 68.868 -0.057 0.000 0.979 20 T HN 0.517 nan 8.240 nan 0.000 0.446 21 I N -0.843 119.702 120.570 -0.041 0.000 3.279 21 I HA 0.808 4.978 4.170 0.001 0.000 0.315 21 I C 1.247 177.270 176.117 -0.156 0.000 1.187 21 I CA -1.526 59.727 61.300 -0.079 0.000 0.953 21 I CB 1.105 39.069 38.000 -0.061 0.000 1.279 21 I HN 0.587 nan 8.210 nan 0.000 0.465 22 A N 1.514 124.237 122.820 -0.162 0.000 1.948 22 A HA -0.070 4.251 4.320 0.001 0.000 0.220 22 A C 1.925 179.376 177.584 -0.223 0.000 1.177 22 A CA 1.869 53.804 52.037 -0.171 0.000 0.636 22 A CB -1.007 17.886 19.000 -0.179 0.000 0.815 22 A HN 0.728 nan 8.150 nan 0.000 0.449 23 L N -2.082 118.929 121.223 -0.354 0.000 2.395 23 L HA 0.287 4.627 4.340 0.001 0.000 0.218 23 L C 1.302 177.776 176.870 -0.659 0.000 1.130 23 L CA 0.421 54.954 54.840 -0.511 0.000 0.826 23 L CB -0.485 41.163 42.059 -0.686 0.000 0.941 23 L HN 0.629 nan 8.230 nan 0.000 0.451 24 G N -0.732 107.715 108.800 -0.588 0.000 2.352 24 G HA2 0.213 4.173 3.960 0.001 0.000 0.283 24 G HA3 0.213 4.173 3.960 0.001 0.000 0.283 24 G C -0.999 173.819 174.900 -0.138 0.000 1.308 24 G CA -0.159 44.743 45.100 -0.329 0.000 0.892 24 G HN -0.023 nan 8.290 nan 0.000 0.504 25 T N -2.391 112.215 114.554 0.087 0.000 2.926 25 T HA 0.797 5.148 4.350 0.001 0.000 0.289 25 T C -0.989 173.867 174.700 0.260 0.000 1.054 25 T CA -0.643 61.550 62.100 0.155 0.000 1.015 25 T CB 2.196 71.115 68.868 0.085 0.000 1.167 25 T HN 1.805 nan 8.240 nan 0.000 0.526 26 I N 0.629 121.329 120.570 0.218 0.000 2.752 26 I HA 0.479 4.649 4.170 0.001 0.000 0.295 26 I C 0.077 176.272 176.117 0.130 0.000 1.219 26 I CA -0.850 60.550 61.300 0.167 0.000 1.030 26 I CB 2.207 40.301 38.000 0.156 0.000 1.259 26 I HN 1.039 nan 8.210 nan 0.000 0.423 27 E N 3.626 123.877 120.200 0.085 0.000 2.606 27 E HA 0.368 4.719 4.350 0.001 0.000 0.224 27 E C -0.416 176.214 176.600 0.050 0.000 0.930 27 E CA -0.215 56.228 56.400 0.073 0.000 1.125 27 E CB 0.619 30.354 29.700 0.058 0.000 1.123 27 E HN 0.367 nan 8.360 nan 0.000 0.522 28 S N 0.009 115.728 115.700 0.031 0.000 2.536 28 S HA 0.641 5.111 4.470 0.001 0.000 0.271 28 S C -1.514 173.081 174.600 -0.009 0.000 1.134 28 S CA -0.370 57.837 58.200 0.012 0.000 0.897 28 S CB 1.702 64.907 63.200 0.009 0.000 1.094 28 S HN 0.357 nan 8.310 nan 0.000 0.473 29 A N 3.614 126.424 122.820 -0.017 0.000 2.650 29 A HA 0.492 4.812 4.320 0.001 0.000 0.320 29 A C -0.771 176.794 177.584 -0.032 0.000 1.466 29 A CA -0.417 51.598 52.037 -0.036 0.000 1.099 29 A CB -0.196 18.779 19.000 -0.043 0.000 1.136 29 A HN 0.704 nan 8.150 nan 0.000 0.532 30 D N 2.303 122.679 120.400 -0.039 0.000 2.329 30 D HA 0.469 5.110 4.640 0.001 0.000 0.232 30 D C 0.128 176.403 176.300 -0.042 0.000 1.088 30 D CA 0.306 54.286 54.000 -0.034 0.000 0.835 30 D CB 1.627 42.408 40.800 -0.032 0.000 1.078 30 D HN 0.548 nan 8.370 nan 0.000 0.495 31 S N 0.073 115.753 115.700 -0.033 0.000 2.697 31 S HA 0.839 5.309 4.470 0.001 0.000 0.289 31 S C -0.849 173.738 174.600 -0.021 0.000 1.149 31 S CA -1.056 57.123 58.200 -0.034 0.000 0.850 31 S CB 1.916 65.095 63.200 -0.035 0.000 1.151 31 S HN 0.369 nan 8.310 nan 0.000 0.491 32 A N 0.786 123.594 122.820 -0.019 0.000 2.288 32 A HA 0.777 5.097 4.320 0.001 0.000 0.320 32 A C -0.592 176.999 177.584 0.011 0.000 1.217 32 A CA -0.793 51.239 52.037 -0.009 0.000 0.840 32 A CB -0.026 18.962 19.000 -0.021 0.000 1.179 32 A HN 0.779 nan 8.150 nan 0.000 0.504 33 I N 2.992 123.580 120.570 0.030 0.000 2.433 33 I HA 0.401 4.571 4.170 0.001 0.000 0.292 33 I C -0.704 175.453 176.117 0.067 0.000 1.001 33 I CA -0.756 60.581 61.300 0.061 0.000 1.119 33 I CB 1.972 40.025 38.000 0.088 0.000 1.289 33 I HN 0.320 nan 8.210 nan 0.000 0.438 34 V N 5.849 125.801 119.914 0.063 0.000 2.667 34 V HA 0.422 4.542 4.120 0.001 0.000 0.308 34 V C -0.374 175.705 176.094 -0.026 0.000 1.048 34 V CA -0.637 61.681 62.300 0.030 0.000 0.928 34 V CB 2.116 33.947 31.823 0.014 0.000 1.004 34 V HN 0.680 nan 8.190 nan 0.000 0.444 35 E N 3.954 124.105 120.200 -0.082 0.000 2.218 35 E HA 0.562 4.913 4.350 0.001 0.000 0.263 35 E C -1.381 175.091 176.600 -0.213 0.000 0.879 35 E CA -0.434 55.806 56.400 -0.267 0.000 0.762 35 E CB 2.557 32.121 29.700 -0.226 0.000 1.166 35 E HN 0.509 nan 8.360 nan 0.000 0.415 36 I N 3.197 123.617 120.570 -0.250 0.000 2.362 36 I HA 0.178 4.349 4.170 0.001 0.000 0.289 36 I C -0.075 175.920 176.117 -0.204 0.000 0.994 36 I CA -0.599 60.583 61.300 -0.198 0.000 1.158 36 I CB 1.389 39.294 38.000 -0.157 0.000 1.315 36 I HN 0.534 nan 8.210 nan 0.000 0.451 37 E N 4.906 124.992 120.200 -0.189 0.000 2.183 37 E HA 0.537 4.887 4.350 0.001 0.000 0.271 37 E C -0.547 175.984 176.600 -0.117 0.000 0.919 37 E CA -0.749 55.562 56.400 -0.149 0.000 0.781 37 E CB 1.735 31.353 29.700 -0.137 0.000 1.140 37 E HN 0.577 nan 8.360 nan 0.000 0.402 38 T N 0.129 114.630 114.554 -0.088 0.000 2.862 38 T HA 0.191 4.542 4.350 0.001 0.000 0.276 38 T C 0.862 175.531 174.700 -0.050 0.000 0.974 38 T CA -0.662 61.399 62.100 -0.066 0.000 0.966 38 T CB 1.189 70.027 68.868 -0.050 0.000 1.072 38 T HN 0.616 nan 8.240 nan 0.000 0.538 39 E N 0.325 120.502 120.200 -0.039 0.000 2.265 39 E HA -0.145 4.206 4.350 0.001 0.000 0.196 39 E C 1.920 178.507 176.600 -0.020 0.000 0.996 39 E CA 1.168 57.551 56.400 -0.029 0.000 0.832 39 E CB 0.019 29.705 29.700 -0.023 0.000 0.756 39 E HN 0.899 nan 8.360 nan 0.000 0.491 40 E N -0.142 120.047 120.200 -0.018 0.000 2.442 40 E HA 0.015 4.365 4.350 0.001 0.000 0.195 40 E C 1.233 177.827 176.600 -0.010 0.000 1.030 40 E CA 0.709 57.102 56.400 -0.010 0.000 0.869 40 E CB 0.451 30.149 29.700 -0.004 0.000 0.857 40 E HN 0.182 nan 8.360 nan 0.000 0.505 41 G N 1.235 110.024 108.800 -0.018 0.000 2.184 41 G HA2 -0.210 3.750 3.960 0.001 0.000 0.206 41 G HA3 -0.210 3.750 3.960 0.001 0.000 0.206 41 G C 0.158 175.046 174.900 -0.020 0.000 0.995 41 G CA 0.056 45.147 45.100 -0.015 0.000 0.651 41 G HN 0.172 nan 8.290 nan 0.000 0.511 42 L N 1.002 122.208 121.223 -0.028 0.000 2.426 42 L HA 0.559 4.900 4.340 0.001 0.000 0.271 42 L C 0.363 177.190 176.870 -0.072 0.000 1.169 42 L CA -0.525 54.294 54.840 -0.035 0.000 0.836 42 L CB 1.376 43.416 42.059 -0.031 0.000 1.112 42 L HN -0.047 nan 8.230 nan 0.000 0.465 43 V N 1.711 121.572 119.914 -0.088 0.000 2.483 43 V HA 0.530 4.651 4.120 0.001 0.000 0.297 43 V C 0.418 176.374 176.094 -0.229 0.000 1.027 43 V CA -0.544 61.641 62.300 -0.191 0.000 0.855 43 V CB 1.566 33.245 31.823 -0.240 0.000 0.995 43 V HN 0.887 nan 8.190 nan 0.000 0.424 44 G N 3.066 111.709 108.800 -0.261 0.000 2.371 44 G HA2 0.633 4.593 3.960 0.001 0.000 0.326 44 G HA3 0.633 4.593 3.960 0.001 0.000 0.326 44 G C -1.504 173.213 174.900 -0.304 0.000 1.127 44 G CA -0.355 44.639 45.100 -0.177 0.000 0.885 44 G HN 0.495 nan 8.290 nan 0.000 0.477 45 Y N 0.039 120.302 120.300 -0.063 0.000 2.387 45 Y HA 0.646 5.196 4.550 0.001 0.000 0.336 45 Y C 0.828 176.711 175.900 -0.029 0.000 1.067 45 Y CA -0.160 57.913 58.100 -0.046 0.000 1.114 45 Y CB 2.701 41.129 38.460 -0.054 0.000 1.208 45 Y HN 0.775 nan 8.280 nan 0.000 0.458 46 G N 1.392 110.264 108.800 0.119 0.000 2.672 46 G HA2 0.586 4.546 3.960 0.001 0.000 0.292 46 G HA3 0.586 4.546 3.960 0.001 0.000 0.292 46 G C -2.049 172.893 174.900 0.069 0.000 1.375 46 G CA -0.770 44.374 45.100 0.074 0.000 0.890 46 G HN 0.524 nan 8.290 nan 0.000 0.476 47 E N -0.668 119.559 120.200 0.044 0.000 2.367 47 E HA 0.638 4.988 4.350 0.001 0.000 0.273 47 E C -0.767 175.838 176.600 0.008 0.000 0.903 47 E CA -1.110 55.306 56.400 0.027 0.000 0.764 47 E CB 2.203 31.913 29.700 0.017 0.000 1.252 47 E HN 0.784 nan 8.360 nan 0.000 0.446 48 G N 1.174 109.971 108.800 -0.005 0.000 2.675 48 G HA2 0.548 4.508 3.960 0.001 0.000 0.297 48 G HA3 0.548 4.508 3.960 0.001 0.000 0.297 48 G C -0.599 174.276 174.900 -0.042 0.000 1.399 48 G CA -0.548 44.538 45.100 -0.022 0.000 0.981 48 G HN 0.433 nan 8.290 nan 0.000 0.519 49 G N 3.627 112.393 108.800 -0.057 0.000 2.428 49 G HA2 0.629 4.589 3.960 0.001 0.000 0.320 49 G HA3 0.629 4.589 3.960 0.001 0.000 0.320 49 G C -2.487 172.356 174.900 -0.096 0.000 1.098 49 G CA -1.341 43.714 45.100 -0.076 0.000 0.984 49 G HN 0.416 nan 8.290 nan 0.000 0.444 50 P HA 0.242 nan 4.420 nan 0.000 0.292 50 P C 0.250 177.458 177.300 -0.154 0.000 1.326 50 P CA -0.136 62.898 63.100 -0.109 0.000 0.787 50 P CB 1.832 33.479 31.700 -0.088 0.000 0.903 51 G N 3.857 112.552 108.800 -0.176 0.000 2.741 51 G HA2 0.155 4.116 3.960 0.001 0.000 0.336 51 G HA3 0.155 4.116 3.960 0.001 0.000 0.336 51 G C 0.923 175.659 174.900 -0.273 0.000 1.022 51 G CA -0.558 44.360 45.100 -0.304 0.000 1.193 51 G HN 0.571 nan 8.290 nan 0.000 0.455 52 I N 2.367 122.766 120.570 -0.285 0.000 2.248 52 I HA -0.211 3.959 4.170 0.001 0.000 0.248 52 I C 2.072 178.180 176.117 -0.014 0.000 1.107 52 I CA 1.480 62.706 61.300 -0.124 0.000 1.373 52 I CB 0.130 38.078 38.000 -0.087 0.000 1.055 52 I HN 0.640 nan 8.210 nan 0.000 0.418 53 F N -1.406 118.572 119.950 0.047 0.000 2.797 53 F HA 0.224 4.752 4.527 0.001 0.000 0.302 53 F C 1.546 177.388 175.800 0.070 0.000 1.130 53 F CA -0.277 57.754 58.000 0.052 0.000 1.387 53 F CB -0.258 38.763 39.000 0.035 0.000 1.107 53 F HN -0.101 nan 8.300 nan 0.000 0.577 54 I N 0.926 121.664 120.570 0.281 0.000 3.366 54 I HA -0.025 4.145 4.170 0.001 0.000 0.267 54 I C 2.223 178.528 176.117 0.314 0.000 1.149 54 I CA 1.557 63.021 61.300 0.274 0.000 1.436 54 I CB -0.648 37.425 38.000 0.123 0.000 1.379 54 I HN 0.272 nan 8.210 nan 0.000 0.460 55 T N -2.627 112.066 114.554 0.232 0.000 3.010 55 T HA 0.332 4.683 4.350 0.001 0.000 0.257 55 T C 1.503 176.418 174.700 0.358 0.000 1.020 55 T CA 0.665 63.009 62.100 0.406 0.000 0.938 55 T CB 0.817 69.844 68.868 0.265 0.000 1.049 55 T HN 0.457 nan 8.240 nan 0.000 0.522 56 G N 1.383 110.304 108.800 0.202 0.000 2.179 56 G HA2 -0.247 3.713 3.960 0.001 0.000 0.260 56 G HA3 -0.247 3.713 3.960 0.001 0.000 0.260 56 G C -0.159 174.808 174.900 0.112 0.000 0.977 56 G CA 0.181 45.377 45.100 0.159 0.000 0.641 56 G HN 0.663 nan 8.290 nan 0.000 0.533 57 E N 1.170 121.419 120.200 0.081 0.000 2.366 57 E HA 0.500 4.850 4.350 0.001 0.000 0.266 57 E C 0.790 177.375 176.600 -0.025 0.000 1.051 57 E CA 0.564 56.971 56.400 0.013 0.000 0.884 57 E CB 0.746 30.420 29.700 -0.043 0.000 1.006 57 E HN 0.460 nan 8.360 nan 0.000 0.417 58 T N -0.761 113.774 114.554 -0.031 0.000 2.926 58 T HA 0.244 4.595 4.350 0.001 0.000 0.289 58 T C 0.583 175.253 174.700 -0.050 0.000 1.054 58 T CA -0.909 61.167 62.100 -0.040 0.000 1.015 58 T CB 1.102 69.956 68.868 -0.024 0.000 1.167 58 T HN 0.316 nan 8.240 nan 0.000 0.526 59 L N 1.540 122.734 121.223 -0.048 0.000 2.027 59 L HA 0.203 4.543 4.340 0.001 0.000 0.206 59 L C 2.753 179.595 176.870 -0.046 0.000 1.074 59 L CA 2.459 57.271 54.840 -0.048 0.000 0.745 59 L CB -1.404 40.631 42.059 -0.041 0.000 0.898 59 L HN 0.938 nan 8.230 nan 0.000 0.433 60 A N -0.486 122.310 122.820 -0.039 0.000 1.877 60 A HA -0.092 4.228 4.320 0.001 0.000 0.216 60 A C 2.324 179.878 177.584 -0.050 0.000 1.186 60 A CA 1.664 53.678 52.037 -0.038 0.000 0.620 60 A CB -1.614 17.369 19.000 -0.028 0.000 0.822 60 A HN 0.534 nan 8.150 nan 0.000 0.443 61 G N -1.555 107.216 108.800 -0.049 0.000 2.408 61 G HA2 -0.077 3.883 3.960 0.001 0.000 0.217 61 G HA3 -0.077 3.883 3.960 0.001 0.000 0.217 61 G C 1.533 176.377 174.900 -0.094 0.000 1.150 61 G CA 1.546 46.609 45.100 -0.061 0.000 0.776 61 G HN 0.431 nan 8.290 nan 0.000 0.542 62 T N 1.344 115.845 114.554 -0.088 0.000 2.777 62 T HA -0.006 4.344 4.350 0.001 0.000 0.266 62 T C 2.422 177.051 174.700 -0.119 0.000 1.040 62 T CA 0.737 62.772 62.100 -0.108 0.000 1.141 62 T CB -0.158 68.661 68.868 -0.082 0.000 0.868 62 T HN 0.144 nan 8.240 nan 0.000 0.444 63 L N 0.613 121.783 121.223 -0.089 0.000 2.056 63 L HA -0.068 4.272 4.340 0.001 0.000 0.207 63 L C 2.778 179.586 176.870 -0.104 0.000 1.078 63 L CA 1.385 56.177 54.840 -0.079 0.000 0.749 63 L CB -0.460 41.566 42.059 -0.054 0.000 0.901 63 L HN 0.323 nan 8.230 nan 0.000 0.433 64 E N -0.196 119.939 120.200 -0.109 0.000 2.031 64 E HA -0.216 4.134 4.350 0.001 0.000 0.193 64 E C 2.012 178.494 176.600 -0.197 0.000 0.994 64 E CA 1.950 58.278 56.400 -0.119 0.000 0.800 64 E CB 0.074 29.716 29.700 -0.096 0.000 0.752 64 E HN 0.383 nan 8.360 nan 0.000 0.447 65 T N 1.339 115.726 114.554 -0.277 0.000 2.746 65 T HA -0.145 4.205 4.350 0.001 0.000 0.267 65 T C 1.919 176.170 174.700 -0.750 0.000 1.039 65 T CA 1.371 63.151 62.100 -0.534 0.000 1.142 65 T CB -0.219 68.316 68.868 -0.556 0.000 0.866 65 T HN 0.189 nan 8.240 nan 0.000 0.444 66 I N 0.896 121.201 120.570 -0.442 0.000 2.208 66 I HA -0.196 3.975 4.170 0.001 0.000 0.245 66 I C 2.646 178.681 176.117 -0.136 0.000 1.097 66 I CA 1.466 62.618 61.300 -0.246 0.000 1.363 66 I CB -0.400 37.549 38.000 -0.085 0.000 1.051 66 I HN 0.332 nan 8.210 nan 0.000 0.413 67 E N 0.664 120.789 120.200 -0.126 0.000 2.118 67 E HA -0.211 4.140 4.350 0.001 0.000 0.195 67 E C 2.326 178.896 176.600 -0.050 0.000 0.992 67 E CA 1.119 57.483 56.400 -0.060 0.000 0.804 67 E CB -0.068 29.599 29.700 -0.054 0.000 0.741 67 E HN 0.477 nan 8.360 nan 0.000 0.458 68 L N -0.057 121.095 121.223 -0.118 0.000 2.056 68 L HA -0.167 4.173 4.340 0.001 0.000 0.207 68 L C 2.278 179.203 176.870 0.092 0.000 1.078 68 L CA 0.742 55.550 54.840 -0.054 0.000 0.749 68 L CB -0.386 41.601 42.059 -0.120 0.000 0.901 68 L HN 0.136 nan 8.230 nan 0.000 0.433 69 F N 0.617 120.543 119.950 -0.040 0.000 2.102 69 F HA -0.099 4.429 4.527 0.001 0.000 0.298 69 F C 2.587 178.351 175.800 -0.059 0.000 1.105 69 F CA 0.974 58.940 58.000 -0.056 0.000 1.239 69 F CB -1.755 37.201 39.000 -0.072 0.000 0.991 69 F HN 0.027 nan 8.300 nan 0.000 0.474 70 G N -0.308 108.583 108.800 0.152 0.000 2.529 70 G HA2 -0.273 3.687 3.960 0.001 0.000 0.219 70 G HA3 -0.273 3.687 3.960 0.001 0.000 0.219 70 G C 1.565 176.480 174.900 0.025 0.000 1.177 70 G CA 0.807 45.939 45.100 0.054 0.000 0.773 70 G HN 0.256 nan 8.290 nan 0.000 0.573 71 Q N 0.315 120.133 119.800 0.031 0.000 2.224 71 Q HA 0.092 4.432 4.340 0.001 0.000 0.203 71 Q C 2.767 178.777 176.000 0.016 0.000 0.970 71 Q CA 1.188 57.001 55.803 0.016 0.000 0.865 71 Q CB -0.525 28.223 28.738 0.016 0.000 0.922 71 Q HN 0.508 nan 8.270 nan 0.000 0.445 72 A N 0.886 123.728 122.820 0.036 0.000 2.067 72 A HA -0.007 4.314 4.320 0.001 0.000 0.217 72 A C 1.849 179.425 177.584 -0.013 0.000 1.156 72 A CA 0.646 52.696 52.037 0.022 0.000 0.683 72 A CB -0.367 18.664 19.000 0.052 0.000 0.808 72 A HN 0.456 nan 8.150 nan 0.000 0.455 73 I N -3.537 117.019 120.570 -0.024 0.000 3.956 73 I HA 0.353 4.524 4.170 0.001 0.000 0.333 73 I C -0.054 176.031 176.117 -0.054 0.000 1.302 73 I CA -0.418 60.848 61.300 -0.057 0.000 1.122 73 I CB -0.089 37.858 38.000 -0.090 0.000 1.013 73 I HN -0.045 nan 8.210 nan 0.000 0.405 74 I N 3.739 124.285 120.570 -0.041 0.000 2.752 74 I HA 0.052 4.223 4.170 0.001 0.000 0.289 74 I C 1.508 177.601 176.117 -0.040 0.000 1.197 74 I CA 1.634 62.907 61.300 -0.044 0.000 1.432 74 I CB 0.262 38.241 38.000 -0.035 0.000 1.359 74 I HN 0.599 nan 8.210 nan 0.000 0.571 75 G N 5.202 113.976 108.800 -0.043 0.000 2.195 75 G HA2 -0.223 3.738 3.960 0.001 0.000 0.246 75 G HA3 -0.223 3.738 3.960 0.001 0.000 0.246 75 G C 0.117 174.995 174.900 -0.036 0.000 0.984 75 G CA -0.444 44.635 45.100 -0.035 0.000 0.633 75 G HN 0.457 nan 8.290 nan 0.000 0.525 76 L N 0.479 121.674 121.223 -0.047 0.000 2.399 76 L HA 0.478 4.818 4.340 0.001 0.000 0.265 76 L C 0.537 177.379 176.870 -0.046 0.000 1.089 76 L CA -1.087 53.724 54.840 -0.049 0.000 0.802 76 L CB 0.885 42.904 42.059 -0.067 0.000 1.180 76 L HN 0.151 nan 8.230 nan 0.000 0.454 77 N N 1.516 120.198 118.700 -0.030 0.000 2.472 77 N HA 0.182 4.922 4.740 0.001 0.000 0.277 77 N C -2.031 173.452 175.510 -0.044 0.000 1.081 77 N CA -1.823 51.225 53.050 -0.003 0.000 0.973 77 N CB 1.880 40.397 38.487 0.050 0.000 1.105 77 N HN 0.213 nan 8.380 nan 0.000 0.470 78 P HA -0.055 nan 4.420 nan 0.000 0.218 78 P C 0.833 177.943 177.300 -0.317 0.000 1.148 78 P CA 1.127 64.084 63.100 -0.238 0.000 0.822 78 P CB 0.033 31.551 31.700 -0.303 0.000 0.784 79 F N -1.176 118.690 119.950 -0.140 0.000 2.365 79 F HA -0.054 4.474 4.527 0.002 0.000 0.300 79 F C 1.411 177.133 175.800 -0.130 0.000 1.090 79 F CA 0.854 58.772 58.000 -0.138 0.000 1.408 79 F CB -0.823 38.125 39.000 -0.088 0.000 1.060 79 F HN -0.115 nan 8.300 nan 0.000 0.534 80 N N 1.230 119.945 118.700 0.026 0.000 3.243 80 N HA -0.031 4.710 4.740 0.001 0.000 0.310 80 N C 1.356 176.806 175.510 -0.100 0.000 1.313 80 N CA 0.102 53.141 53.050 -0.019 0.000 1.204 80 N CB -0.514 37.960 38.487 -0.022 0.000 1.483 80 N HN 0.158 nan 8.380 nan 0.000 0.553 81 I N 0.446 120.931 120.570 -0.142 0.000 2.567 81 I HA -0.152 4.019 4.170 0.001 0.000 0.257 81 I C 1.798 177.766 176.117 -0.249 0.000 1.184 81 I CA 1.253 62.419 61.300 -0.222 0.000 1.451 81 I CB 0.145 37.979 38.000 -0.277 0.000 1.089 81 I HN 0.262 nan 8.210 nan 0.000 0.441 82 E N 0.559 120.660 120.200 -0.166 0.000 2.031 82 E HA -0.284 4.066 4.350 0.001 0.000 0.193 82 E C 2.156 178.699 176.600 -0.096 0.000 0.994 82 E CA 1.313 57.637 56.400 -0.128 0.000 0.800 82 E CB -0.335 29.359 29.700 -0.009 0.000 0.752 82 E HN 0.534 nan 8.360 nan 0.000 0.447 83 K N 0.712 121.063 120.400 -0.081 0.000 2.103 83 K HA -0.055 4.265 4.320 0.001 0.000 0.204 83 K C 2.298 178.828 176.600 -0.116 0.000 1.052 83 K CA 0.576 56.818 56.287 -0.075 0.000 0.945 83 K CB -0.078 32.386 32.500 -0.061 0.000 0.722 83 K HN 0.011 nan 8.250 nan 0.000 0.443 84 I N 0.658 121.130 120.570 -0.163 0.000 2.163 84 I HA -0.323 3.848 4.170 0.001 0.000 0.243 84 I C 2.360 178.278 176.117 -0.332 0.000 1.085 84 I CA 1.287 62.438 61.300 -0.249 0.000 1.347 84 I CB -0.380 37.450 38.000 -0.283 0.000 1.044 84 I HN 0.340 nan 8.210 nan 0.000 0.408 85 H N 0.022 118.932 119.070 -0.266 0.000 2.428 85 H HA -0.142 4.414 4.556 0.001 0.000 0.296 85 H C 2.104 177.329 175.328 -0.172 0.000 1.062 85 H CA 1.375 57.282 56.048 -0.236 0.000 1.350 85 H CB 0.042 29.666 29.762 -0.228 0.000 1.403 85 H HN 0.447 nan 8.280 nan 0.000 0.533 86 E N 0.784 120.964 120.200 -0.034 0.000 2.058 86 E HA -0.129 4.221 4.350 0.001 0.000 0.194 86 E C 2.278 178.840 176.600 -0.064 0.000 0.997 86 E CA 1.195 57.578 56.400 -0.028 0.000 0.801 86 E CB 0.191 29.876 29.700 -0.024 0.000 0.746 86 E HN 0.096 nan 8.360 nan 0.000 0.450 87 V N 1.073 120.919 119.914 -0.113 0.000 2.343 87 V HA -0.292 3.828 4.120 0.001 0.000 0.247 87 V C 2.455 178.446 176.094 -0.172 0.000 1.051 87 V CA 2.017 64.246 62.300 -0.119 0.000 1.036 87 V CB -0.409 31.335 31.823 -0.132 0.000 0.654 87 V HN 0.388 nan 8.190 nan 0.000 0.451 88 M N -0.518 118.861 119.600 -0.369 0.000 2.175 88 M HA -0.152 4.329 4.480 0.001 0.000 0.264 88 M C 1.873 178.055 176.300 -0.196 0.000 1.063 88 M CA 1.618 56.530 55.300 -0.646 0.000 1.119 88 M CB -0.625 31.219 32.600 -1.261 0.000 1.377 88 M HN 0.294 nan 8.290 nan 0.000 0.415 89 D N 0.442 120.784 120.400 -0.097 0.000 2.219 89 D HA -0.123 4.518 4.640 0.001 0.000 0.205 89 D C 1.832 178.164 176.300 0.053 0.000 0.970 89 D CA 1.099 55.115 54.000 0.027 0.000 0.851 89 D CB -0.178 40.652 40.800 0.050 0.000 0.943 89 D HN 0.356 nan 8.370 nan 0.000 0.488 90 K N 0.264 120.682 120.400 0.029 0.000 2.167 90 K HA 0.034 4.354 4.320 0.001 0.000 0.203 90 K C 2.058 178.702 176.600 0.074 0.000 1.052 90 K CA 0.336 56.649 56.287 0.044 0.000 0.956 90 K CB 0.153 32.668 32.500 0.024 0.000 0.735 90 K HN 0.044 nan 8.250 nan 0.000 0.451 91 I N -0.056 120.579 120.570 0.108 0.000 2.233 91 I HA -0.120 4.050 4.170 0.001 0.000 0.243 91 I C 1.063 177.286 176.117 0.178 0.000 1.093 91 I CA 0.505 61.905 61.300 0.166 0.000 1.380 91 I CB 0.159 38.338 38.000 0.298 0.000 1.067 91 I HN 0.023 nan 8.210 nan 0.000 0.413 92 S N -0.346 115.498 115.700 0.239 0.000 2.532 92 S HA 0.601 5.072 4.470 0.001 0.000 0.299 92 S C 0.453 175.166 174.600 0.188 0.000 1.105 92 S CA -0.411 57.912 58.200 0.205 0.000 1.018 92 S CB 1.842 65.189 63.200 0.244 0.000 1.021 92 S HN 0.209 nan 8.310 nan 0.000 0.483 93 A N 3.624 126.547 122.820 0.172 0.000 2.167 93 A HA 0.391 4.712 4.320 0.001 0.000 0.214 93 A C 0.200 177.968 177.584 0.306 0.000 1.151 93 A CA 0.481 52.630 52.037 0.187 0.000 0.735 93 A CB -0.269 18.817 19.000 0.143 0.000 0.802 93 A HN 1.019 nan 8.150 nan 0.000 0.467 94 F N -1.810 118.203 119.950 0.104 0.000 2.911 94 F HA 0.486 5.014 4.527 0.001 0.000 0.349 94 F C -0.662 175.210 175.800 0.120 0.000 1.222 94 F CA -0.342 57.726 58.000 0.113 0.000 1.164 94 F CB 0.761 39.814 39.000 0.089 0.000 1.454 94 F HN 0.136 nan 8.300 nan 0.000 0.616 95 A N 7.467 130.049 122.820 -0.396 0.000 3.306 95 A HA 0.391 4.712 4.320 0.001 0.000 0.236 95 A C -2.468 174.972 177.584 -0.241 0.000 1.182 95 A CA -0.523 51.320 52.037 -0.322 0.000 1.024 95 A CB -0.112 18.850 19.000 -0.063 0.000 1.384 95 A HN 0.370 nan 8.150 nan 0.000 0.751 96 P HA -0.227 nan 4.420 nan 0.000 0.216 96 P C 1.590 178.836 177.300 -0.089 0.000 1.150 96 P CA 2.077 65.070 63.100 -0.177 0.000 0.843 96 P CB 0.228 31.814 31.700 -0.190 0.000 0.787 97 A N 0.528 123.273 122.820 -0.124 0.000 1.898 97 A HA -0.011 4.310 4.320 0.001 0.000 0.216 97 A C 2.540 180.113 177.584 -0.019 0.000 1.181 97 A CA 2.142 54.135 52.037 -0.073 0.000 0.620 97 A CB -1.499 17.446 19.000 -0.092 0.000 0.819 97 A HN 0.242 nan 8.150 nan 0.000 0.442 98 A N -0.103 122.713 122.820 -0.007 0.000 1.873 98 A HA -0.126 4.194 4.320 0.001 0.000 0.215 98 A C 2.108 179.845 177.584 0.255 0.000 1.186 98 A CA 1.716 53.792 52.037 0.064 0.000 0.616 98 A CB -0.427 18.527 19.000 -0.078 0.000 0.823 98 A HN 0.525 nan 8.150 nan 0.000 0.442 99 K N -0.189 120.384 120.400 0.288 0.000 2.057 99 K HA -0.076 4.245 4.320 0.001 0.000 0.207 99 K C 2.290 178.930 176.600 0.067 0.000 1.049 99 K CA 1.140 57.514 56.287 0.144 0.000 0.931 99 K CB -0.341 32.212 32.500 0.089 0.000 0.714 99 K HN 0.435 nan 8.250 nan 0.000 0.440 100 A N 1.644 124.512 122.820 0.080 0.000 1.902 100 A HA -0.129 4.191 4.320 0.001 0.000 0.217 100 A C 2.399 180.017 177.584 0.057 0.000 1.181 100 A CA 1.824 53.904 52.037 0.071 0.000 0.623 100 A CB -0.692 18.327 19.000 0.033 0.000 0.818 100 A HN 0.337 nan 8.150 nan 0.000 0.443 101 A N -0.007 122.843 122.820 0.051 0.000 1.908 101 A HA -0.104 4.217 4.320 0.001 0.000 0.218 101 A C 2.048 179.655 177.584 0.038 0.000 1.181 101 A CA 1.737 53.801 52.037 0.044 0.000 0.627 101 A CB -0.472 18.553 19.000 0.042 0.000 0.818 101 A HN 0.418 nan 8.150 nan 0.000 0.445 102 I N 0.225 120.818 120.570 0.038 0.000 2.233 102 I HA -0.171 4.000 4.170 0.001 0.000 0.243 102 I C 2.336 178.422 176.117 -0.052 0.000 1.093 102 I CA 1.732 63.020 61.300 -0.019 0.000 1.380 102 I CB -1.332 36.632 38.000 -0.060 0.000 1.067 102 I HN 0.473 nan 8.210 nan 0.000 0.413 103 D N 1.505 121.884 120.400 -0.035 0.000 2.106 103 D HA -0.217 4.424 4.640 0.001 0.000 0.191 103 D C 2.285 178.699 176.300 0.190 0.000 0.997 103 D CA 1.589 55.640 54.000 0.085 0.000 0.834 103 D CB -0.042 40.909 40.800 0.251 0.000 0.956 103 D HN 0.316 nan 8.370 nan 0.000 0.448 104 I N 1.100 121.753 120.570 0.138 0.000 2.264 104 I HA -0.275 3.896 4.170 0.001 0.000 0.248 104 I C 2.714 178.885 176.117 0.089 0.000 1.111 104 I CA 1.210 62.584 61.300 0.123 0.000 1.382 104 I CB -0.310 37.730 38.000 0.065 0.000 1.060 104 I HN 0.031 nan 8.210 nan 0.000 0.418 105 A N -0.339 122.501 122.820 0.034 0.000 1.969 105 A HA -0.188 4.132 4.320 0.001 0.000 0.218 105 A C 2.424 179.968 177.584 -0.067 0.000 1.169 105 A CA 1.485 53.512 52.037 -0.017 0.000 0.635 105 A CB -1.039 17.928 19.000 -0.055 0.000 0.810 105 A HN 0.532 nan 8.150 nan 0.000 0.445 106 C N -2.192 117.052 119.300 -0.094 0.000 2.446 106 C HA -0.074 4.387 4.460 0.001 0.000 0.277 106 C C 2.454 177.275 174.990 -0.281 0.000 1.275 106 C CA 0.868 59.755 59.018 -0.218 0.000 1.727 106 C CB -1.620 25.952 27.740 -0.280 0.000 2.010 106 C HN 0.715 nan 8.230 nan 0.000 0.486 107 Y N 0.865 121.078 120.300 -0.146 0.000 2.293 107 Y HA -0.168 4.382 4.550 0.000 0.000 0.291 107 Y C 2.321 178.124 175.900 -0.163 0.000 1.137 107 Y CA 1.892 59.901 58.100 -0.152 0.000 1.202 107 Y CB -0.357 38.058 38.460 -0.076 0.000 0.990 107 Y HN 0.325 nan 8.280 nan 0.000 0.537 108 D N 0.258 120.667 120.400 0.015 0.000 2.097 108 D HA -0.178 4.463 4.640 0.001 0.000 0.195 108 D C 2.039 178.292 176.300 -0.078 0.000 0.989 108 D CA 1.335 55.318 54.000 -0.029 0.000 0.827 108 D CB -0.295 40.510 40.800 0.008 0.000 0.966 108 D HN 0.289 nan 8.370 nan 0.000 0.456 109 L N -0.321 120.824 121.223 -0.129 0.000 2.083 109 L HA -0.161 4.180 4.340 0.001 0.000 0.209 109 L C 2.771 179.496 176.870 -0.241 0.000 1.083 109 L CA 0.841 55.581 54.840 -0.166 0.000 0.752 109 L CB -0.338 41.603 42.059 -0.197 0.000 0.899 109 L HN 0.158 nan 8.230 nan 0.000 0.433 110 M N -0.804 118.543 119.600 -0.421 0.000 2.086 110 M HA -0.152 4.329 4.480 0.001 0.000 0.261 110 M C 2.329 178.552 176.300 -0.128 0.000 1.067 110 M CA 1.994 56.888 55.300 -0.676 0.000 1.116 110 M CB -0.914 31.167 32.600 -0.865 0.000 1.348 110 M HN 0.358 nan 8.290 nan 0.000 0.407 111 G N -0.298 108.458 108.800 -0.074 0.000 2.418 111 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 111 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 111 G C 1.388 176.292 174.900 0.007 0.000 1.158 111 G CA 0.550 45.645 45.100 -0.009 0.000 0.771 111 G HN 0.495 nan 8.290 nan 0.000 0.545 112 Q N -0.235 119.557 119.800 -0.013 0.000 2.124 112 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 112 Q C 2.491 178.511 176.000 0.034 0.000 0.977 112 Q CA 1.471 57.276 55.803 0.005 0.000 0.850 112 Q CB -0.110 28.624 28.738 -0.008 0.000 0.901 112 Q HN 0.354 nan 8.270 nan 0.000 0.429 113 K N 0.963 121.401 120.400 0.064 0.000 2.062 113 K HA -0.043 4.278 4.320 0.001 0.000 0.205 113 K C 1.656 178.337 176.600 0.136 0.000 1.051 113 K CA 1.395 57.759 56.287 0.129 0.000 0.941 113 K CB -0.309 32.350 32.500 0.265 0.000 0.719 113 K HN 0.145 nan 8.250 nan 0.000 0.440 114 A N 0.167 123.095 122.820 0.180 0.000 2.206 114 A HA 0.021 4.341 4.320 0.001 0.000 0.211 114 A C -0.079 177.540 177.584 0.058 0.000 1.158 114 A CA 0.665 52.775 52.037 0.122 0.000 0.761 114 A CB -0.357 18.746 19.000 0.171 0.000 0.801 114 A HN 0.500 nan 8.150 nan 0.000 0.473 115 Q N -1.534 118.294 119.800 0.047 0.000 2.460 115 Q HA -0.153 4.188 4.340 0.001 0.000 0.311 115 Q C -1.280 174.724 176.000 0.007 0.000 1.396 115 Q CA 0.642 56.459 55.803 0.023 0.000 0.838 115 Q CB -1.649 27.101 28.738 0.019 0.000 1.140 115 Q HN 0.652 nan 8.270 nan 0.000 0.415 116 L N -0.181 121.040 121.223 -0.004 0.000 2.466 116 L HA 0.620 4.961 4.340 0.001 0.000 0.258 116 L C -2.236 174.584 176.870 -0.083 0.000 0.973 116 L CA -2.314 52.499 54.840 -0.046 0.000 0.826 116 L CB 2.075 44.108 42.059 -0.043 0.000 1.372 116 L HN -0.090 nan 8.230 nan 0.000 0.409 117 P HA -0.002 nan 4.420 nan 0.000 0.269 117 P C 0.526 177.710 177.300 -0.194 0.000 1.209 117 P CA -0.387 62.627 63.100 -0.143 0.000 0.776 117 P CB 1.253 32.818 31.700 -0.224 0.000 0.876 118 L N 4.049 125.208 121.223 -0.107 0.000 2.079 118 L HA -0.216 4.124 4.340 0.001 0.000 0.210 118 L C 2.483 179.417 176.870 0.106 0.000 1.081 118 L CA 1.878 56.678 54.840 -0.066 0.000 0.752 118 L CB -1.928 39.962 42.059 -0.283 0.000 0.896 118 L HN 0.433 nan 8.230 nan 0.000 0.433 119 Y N -1.774 118.774 120.300 0.412 0.000 2.384 119 Y HA -0.156 4.394 4.550 0.001 0.000 0.289 119 Y C 2.120 178.100 175.900 0.135 0.000 1.152 119 Y CA 1.126 59.362 58.100 0.226 0.000 1.258 119 Y CB -1.116 37.417 38.460 0.121 0.000 0.979 119 Y HN 0.259 nan 8.280 nan 0.000 0.549 120 Q N 0.844 120.442 119.800 -0.336 0.000 2.096 120 Q HA -0.003 4.338 4.340 0.001 0.000 0.197 120 Q C 2.384 178.383 176.000 -0.002 0.000 0.964 120 Q CA 1.268 56.972 55.803 -0.166 0.000 0.838 120 Q CB -0.320 28.246 28.738 -0.286 0.000 0.906 120 Q HN 0.612 nan 8.270 nan 0.000 0.444 121 L N 0.256 121.486 121.223 0.012 0.000 2.141 121 L HA -0.094 4.247 4.340 0.001 0.000 0.209 121 L C 1.995 178.932 176.870 0.111 0.000 1.094 121 L CA 0.660 55.551 54.840 0.085 0.000 0.763 121 L CB -0.219 41.916 42.059 0.126 0.000 0.908 121 L HN 0.145 nan 8.230 nan 0.000 0.437 122 L N -1.088 120.198 121.223 0.104 0.000 2.591 122 L HA 0.159 4.499 4.340 0.001 0.000 0.228 122 L C 1.408 178.334 176.870 0.092 0.000 1.133 122 L CA 0.686 55.580 54.840 0.089 0.000 0.880 122 L CB -0.090 42.001 42.059 0.053 0.000 1.033 122 L HN 0.441 nan 8.230 nan 0.000 0.450 123 G N -1.734 107.135 108.800 0.115 0.000 3.302 123 G HA2 -0.103 3.858 3.960 0.001 0.000 0.216 123 G HA3 -0.103 3.858 3.960 0.001 0.000 0.216 123 G C 0.938 175.940 174.900 0.170 0.000 1.008 123 G CA -0.132 45.040 45.100 0.120 0.000 0.852 123 G HN 0.243 nan 8.290 nan 0.000 0.485 124 G N -0.219 108.712 108.800 0.219 0.000 2.212 124 G HA2 -0.383 3.577 3.960 0.001 0.000 0.267 124 G HA3 -0.383 3.577 3.960 0.001 0.000 0.267 124 G C 0.956 176.003 174.900 0.245 0.000 1.002 124 G CA 1.381 46.641 45.100 0.268 0.000 0.729 124 G HN 1.314 nan 8.290 nan 0.000 0.517 125 Y N 0.666 121.019 120.300 0.089 0.000 2.274 125 Y HA 0.224 4.774 4.550 0.000 0.000 0.290 125 Y C 1.296 177.203 175.900 0.011 0.000 1.145 125 Y CA 1.853 59.978 58.100 0.041 0.000 1.203 125 Y CB 0.357 38.831 38.460 0.023 0.000 0.984 125 Y HN 0.386 nan 8.280 nan 0.000 0.533 126 D N -2.301 118.095 120.400 -0.007 0.000 2.639 126 D HA 0.119 4.760 4.640 0.001 0.000 0.271 126 D C -0.987 175.104 176.300 -0.348 0.000 1.254 126 D CA -0.317 53.578 54.000 -0.175 0.000 0.810 126 D CB 0.592 41.301 40.800 -0.150 0.000 1.351 126 D HN 0.104 nan 8.370 nan 0.000 0.427 127 N N 0.366 118.773 118.700 -0.489 0.000 2.291 127 N HA 0.119 4.859 4.740 0.001 0.000 0.244 127 N C -0.617 174.547 175.510 -0.577 0.000 1.216 127 N CA -0.216 52.265 53.050 -0.948 0.000 0.879 127 N CB 0.332 38.379 38.487 -0.734 0.000 1.167 127 N HN 0.546 nan 8.380 nan 0.000 0.515 128 Q N -1.965 117.617 119.800 -0.364 0.000 2.633 128 Q HA 0.625 4.966 4.340 0.001 0.000 0.289 128 Q C -2.077 173.831 176.000 -0.154 0.000 0.940 128 Q CA -1.121 54.542 55.803 -0.233 0.000 0.785 128 Q CB 1.803 30.438 28.738 -0.171 0.000 1.467 128 Q HN -0.101 nan 8.270 nan 0.000 0.401 129 V N 1.680 121.531 119.914 -0.104 0.000 2.888 129 V HA 0.605 4.726 4.120 0.001 0.000 0.309 129 V C -1.588 174.492 176.094 -0.024 0.000 1.114 129 V CA -0.769 61.499 62.300 -0.053 0.000 0.940 129 V CB 2.059 33.858 31.823 -0.040 0.000 1.021 129 V HN 0.836 nan 8.190 nan 0.000 0.426 130 I N 5.176 125.743 120.570 -0.005 0.000 2.321 130 I HA 0.416 4.586 4.170 0.001 0.000 0.291 130 I C 0.242 176.396 176.117 0.062 0.000 0.998 130 I CA -0.066 61.241 61.300 0.011 0.000 1.227 130 I CB 1.800 39.800 38.000 -0.001 0.000 1.368 130 I HN 0.685 nan 8.210 nan 0.000 0.466 131 T N 3.977 118.605 114.554 0.123 0.000 2.918 131 T HA 0.345 4.695 4.350 0.001 0.000 0.286 131 T C -0.369 174.532 174.700 0.334 0.000 1.026 131 T CA -0.735 61.482 62.100 0.195 0.000 1.031 131 T CB 1.189 70.187 68.868 0.217 0.000 1.046 131 T HN 0.691 nan 8.240 nan 0.000 0.479 132 D N 2.340 122.899 120.400 0.265 0.000 2.440 132 D HA 0.468 5.108 4.640 0.001 0.000 0.269 132 D C -0.232 176.213 176.300 0.243 0.000 1.249 132 D CA -0.491 53.676 54.000 0.278 0.000 1.055 132 D CB 0.471 41.353 40.800 0.136 0.000 1.104 132 D HN 0.570 nan 8.370 nan 0.000 0.561 133 I N -1.776 118.786 120.570 -0.012 0.000 2.722 133 I HA 0.316 4.486 4.170 0.001 0.000 0.295 133 I C -1.119 174.959 176.117 -0.065 0.000 1.161 133 I CA -0.493 60.708 61.300 -0.164 0.000 1.032 133 I CB 2.124 39.647 38.000 -0.795 0.000 1.244 133 I HN 0.352 nan 8.210 nan 0.000 0.421 134 T N 7.234 121.800 114.554 0.020 0.000 2.909 134 T HA 0.534 4.884 4.350 0.001 0.000 0.286 134 T C -0.418 174.418 174.700 0.227 0.000 1.002 134 T CA -0.392 61.774 62.100 0.111 0.000 1.074 134 T CB 0.980 69.925 68.868 0.128 0.000 0.984 134 T HN 0.316 nan 8.240 nan 0.000 0.495 135 L N 2.440 123.751 121.223 0.146 0.000 2.319 135 L HA 0.522 4.862 4.340 0.001 0.000 0.281 135 L C 0.985 177.842 176.870 -0.021 0.000 1.005 135 L CA -1.016 53.847 54.840 0.038 0.000 0.828 135 L CB 1.388 43.434 42.059 -0.022 0.000 1.227 135 L HN 0.759 nan 8.230 nan 0.000 0.415 136 G N 3.519 112.143 108.800 -0.294 0.000 2.527 136 G HA2 0.386 4.347 3.960 0.001 0.000 0.248 136 G HA3 0.386 4.347 3.960 0.001 0.000 0.248 136 G C 0.194 174.970 174.900 -0.207 0.000 1.231 136 G CA -0.617 44.289 45.100 -0.323 0.000 0.838 136 G HN 0.523 nan 8.290 nan 0.000 0.570 137 I N 1.503 122.001 120.570 -0.121 0.000 2.906 137 I HA -0.021 4.149 4.170 0.001 0.000 0.302 137 I C 0.530 176.582 176.117 -0.108 0.000 1.220 137 I CA 1.012 62.258 61.300 -0.090 0.000 1.441 137 I CB 0.119 38.080 38.000 -0.066 0.000 1.336 137 I HN 0.471 nan 8.210 nan 0.000 0.565 138 D N 3.872 124.222 120.400 -0.083 0.000 3.010 138 D HA 0.129 4.769 4.640 0.001 0.000 0.353 138 D C -1.168 175.098 176.300 -0.056 0.000 1.415 138 D CA -0.514 53.439 54.000 -0.079 0.000 0.864 138 D CB 1.262 42.000 40.800 -0.103 0.000 1.445 138 D HN 0.281 nan 8.370 nan 0.000 0.516 139 E N 0.883 121.052 120.200 -0.051 0.000 2.373 139 E HA 0.211 4.562 4.350 0.001 0.000 0.267 139 E C -1.707 174.868 176.600 -0.042 0.000 1.032 139 E CA -1.343 55.033 56.400 -0.040 0.000 0.889 139 E CB 0.656 30.335 29.700 -0.035 0.000 0.984 139 E HN 0.163 nan 8.360 nan 0.000 0.425 140 P HA -0.221 nan 4.420 nan 0.000 0.216 140 P C 0.906 178.183 177.300 -0.040 0.000 1.154 140 P CA 1.513 64.588 63.100 -0.041 0.000 0.865 140 P CB 0.198 31.873 31.700 -0.041 0.000 0.789 141 N N -0.838 117.842 118.700 -0.034 0.000 2.188 141 N HA -0.080 4.661 4.740 0.001 0.000 0.184 141 N C 1.587 177.077 175.510 -0.033 0.000 1.018 141 N CA 1.214 54.246 53.050 -0.030 0.000 0.858 141 N CB -1.299 37.174 38.487 -0.024 0.000 0.989 141 N HN 0.095 nan 8.380 nan 0.000 0.426 142 V N 1.722 121.613 119.914 -0.039 0.000 2.379 142 V HA -0.124 3.996 4.120 0.001 0.000 0.245 142 V C 2.621 178.684 176.094 -0.052 0.000 1.044 142 V CA 1.386 63.659 62.300 -0.045 0.000 1.036 142 V CB -0.565 31.227 31.823 -0.053 0.000 0.664 142 V HN 0.162 nan 8.190 nan 0.000 0.453 143 M N 0.242 119.808 119.600 -0.056 0.000 2.099 143 M HA -0.097 4.383 4.480 0.001 0.000 0.262 143 M C 2.428 178.699 176.300 -0.048 0.000 1.067 143 M CA 2.089 57.353 55.300 -0.060 0.000 1.124 143 M CB -0.603 31.962 32.600 -0.059 0.000 1.353 143 M HN 0.378 nan 8.290 nan 0.000 0.410 144 A N -0.139 122.654 122.820 -0.044 0.000 1.972 144 A HA -0.238 4.083 4.320 0.001 0.000 0.219 144 A C 1.968 179.533 177.584 -0.031 0.000 1.169 144 A CA 1.966 53.980 52.037 -0.038 0.000 0.635 144 A CB -0.684 18.293 19.000 -0.037 0.000 0.810 144 A HN 0.517 nan 8.150 nan 0.000 0.446 145 Q N 0.298 120.079 119.800 -0.031 0.000 2.046 145 Q HA -0.115 4.225 4.340 0.001 0.000 0.200 145 Q C 1.888 177.874 176.000 -0.024 0.000 0.975 145 Q CA 2.269 58.057 55.803 -0.025 0.000 0.836 145 Q CB -0.313 28.410 28.738 -0.025 0.000 0.896 145 Q HN 0.623 nan 8.270 nan 0.000 0.428 146 K N -0.200 120.180 120.400 -0.034 0.000 2.148 146 K HA -0.019 4.302 4.320 0.001 0.000 0.204 146 K C 2.063 178.644 176.600 -0.030 0.000 1.050 146 K CA 0.813 57.080 56.287 -0.034 0.000 0.942 146 K CB -0.236 32.233 32.500 -0.050 0.000 0.724 146 K HN 0.316 nan 8.250 nan 0.000 0.446 147 A N 1.171 123.973 122.820 -0.031 0.000 1.892 147 A HA -0.172 4.148 4.320 0.001 0.000 0.218 147 A C 2.351 179.930 177.584 -0.009 0.000 1.188 147 A CA 1.750 53.772 52.037 -0.025 0.000 0.631 147 A CB -0.801 18.182 19.000 -0.029 0.000 0.822 147 A HN 0.082 nan 8.150 nan 0.000 0.447 148 V N 0.217 120.127 119.914 -0.007 0.000 2.407 148 V HA -0.270 3.850 4.120 0.001 0.000 0.248 148 V C 2.375 178.477 176.094 0.013 0.000 1.055 148 V CA 2.216 64.518 62.300 0.004 0.000 1.049 148 V CB -0.965 30.858 31.823 -0.000 0.000 0.662 148 V HN 0.652 nan 8.190 nan 0.000 0.455 149 E N 0.187 120.391 120.200 0.006 0.000 2.031 149 E HA -0.220 4.131 4.350 0.001 0.000 0.193 149 E C 2.283 178.903 176.600 0.034 0.000 0.994 149 E CA 1.184 57.591 56.400 0.012 0.000 0.800 149 E CB -0.218 29.482 29.700 0.000 0.000 0.752 149 E HN 0.455 nan 8.360 nan 0.000 0.447 150 K N 0.753 121.165 120.400 0.020 0.000 2.097 150 K HA -0.074 4.247 4.320 0.001 0.000 0.206 150 K C 2.260 178.974 176.600 0.190 0.000 1.049 150 K CA 0.620 56.939 56.287 0.052 0.000 0.933 150 K CB -0.710 31.709 32.500 -0.134 0.000 0.717 150 K HN 0.060 nan 8.250 nan 0.000 0.442 151 V N 1.871 121.852 119.914 0.111 0.000 2.343 151 V HA -0.210 3.911 4.120 0.001 0.000 0.247 151 V C 2.502 178.651 176.094 0.093 0.000 1.051 151 V CA 1.678 64.047 62.300 0.115 0.000 1.036 151 V CB -0.405 31.455 31.823 0.062 0.000 0.654 151 V HN 0.363 nan 8.190 nan 0.000 0.451 152 K N -0.287 120.153 120.400 0.067 0.000 2.362 152 K HA -0.059 4.261 4.320 0.001 0.000 0.200 152 K C 1.804 178.430 176.600 0.042 0.000 1.046 152 K CA 0.949 57.261 56.287 0.042 0.000 0.952 152 K CB -0.083 32.434 32.500 0.028 0.000 0.753 152 K HN 0.425 nan 8.250 nan 0.000 0.466 153 L N -0.722 120.556 121.223 0.091 0.000 2.554 153 L HA 0.083 4.423 4.340 0.001 0.000 0.226 153 L C 1.198 178.042 176.870 -0.043 0.000 1.137 153 L CA 0.663 55.545 54.840 0.069 0.000 0.863 153 L CB 0.246 42.424 42.059 0.199 0.000 0.985 153 L HN 0.558 nan 8.230 nan 0.000 0.451 154 G N -0.898 107.889 108.800 -0.022 0.000 2.201 154 G HA2 -0.251 3.709 3.960 0.001 0.000 0.212 154 G HA3 -0.251 3.709 3.960 0.001 0.000 0.212 154 G C 0.101 174.906 174.900 -0.158 0.000 0.994 154 G CA -0.702 44.323 45.100 -0.124 0.000 0.644 154 G HN 0.107 nan 8.290 nan 0.000 0.508 155 F N 2.135 122.071 119.950 -0.023 0.000 2.541 155 F HA 0.380 4.908 4.527 0.001 0.000 0.378 155 F C 1.205 177.009 175.800 0.006 0.000 1.068 155 F CA 0.149 58.146 58.000 -0.005 0.000 1.199 155 F CB 0.928 39.929 39.000 0.001 0.000 1.091 155 F HN -0.077 nan 8.300 nan 0.000 0.555 156 D N 1.107 121.595 120.400 0.148 0.000 2.354 156 D HA 0.037 4.678 4.640 0.001 0.000 0.209 156 D C 0.311 176.681 176.300 0.117 0.000 1.015 156 D CA 0.776 54.837 54.000 0.102 0.000 0.867 156 D CB 0.344 41.177 40.800 0.055 0.000 0.933 156 D HN 0.362 nan 8.370 nan 0.000 0.520 157 T N 0.523 115.176 114.554 0.164 0.000 2.861 157 T HA 0.602 4.953 4.350 0.001 0.000 0.287 157 T C -0.312 174.464 174.700 0.127 0.000 1.003 157 T CA -0.606 61.571 62.100 0.129 0.000 0.977 157 T CB 2.024 70.963 68.868 0.117 0.000 0.996 157 T HN -0.169 nan 8.240 nan 0.000 0.448 158 L N 2.327 123.593 121.223 0.071 0.000 2.386 158 L HA 0.597 4.938 4.340 0.001 0.000 0.271 158 L C -0.182 176.706 176.870 0.030 0.000 0.993 158 L CA -1.035 53.825 54.840 0.032 0.000 0.819 158 L CB 2.316 44.381 42.059 0.011 0.000 1.294 158 L HN 0.435 nan 8.230 nan 0.000 0.414 159 K N 3.773 124.187 120.400 0.024 0.000 2.253 159 K HA 0.579 4.899 4.320 0.001 0.000 0.277 159 K C -1.053 175.564 176.600 0.028 0.000 1.053 159 K CA -0.375 55.930 56.287 0.030 0.000 0.892 159 K CB 0.837 33.357 32.500 0.033 0.000 1.102 159 K HN 0.518 nan 8.250 nan 0.000 0.469 160 I N 5.121 125.703 120.570 0.021 0.000 2.321 160 I HA 0.220 4.391 4.170 0.001 0.000 0.291 160 I C 0.033 176.155 176.117 0.008 0.000 0.998 160 I CA -0.912 60.396 61.300 0.013 0.000 1.227 160 I CB 1.333 39.337 38.000 0.007 0.000 1.368 160 I HN 0.349 nan 8.210 nan 0.000 0.466 161 K N 6.359 126.761 120.400 0.004 0.000 2.276 161 K HA 0.564 4.885 4.320 0.001 0.000 0.283 161 K C -0.384 176.201 176.600 -0.025 0.000 1.044 161 K CA -0.271 56.007 56.287 -0.014 0.000 0.944 161 K CB 1.936 34.436 32.500 0.000 0.000 1.012 161 K HN 0.528 nan 8.250 nan 0.000 0.472 162 V N -2.408 117.477 119.914 -0.048 0.000 3.181 162 V HA 0.938 5.058 4.120 0.001 0.000 0.308 162 V C 0.135 176.180 176.094 -0.082 0.000 1.214 162 V CA -0.621 61.673 62.300 -0.009 0.000 1.053 162 V CB 1.894 33.778 31.823 0.103 0.000 1.069 162 V HN 0.816 nan 8.190 nan 0.000 0.441 163 G N 0.511 109.317 108.800 0.011 0.000 2.511 163 G HA2 0.324 4.284 3.960 0.001 0.000 0.230 163 G HA3 0.324 4.284 3.960 0.001 0.000 0.230 163 G C -0.013 174.900 174.900 0.023 0.000 1.264 163 G CA 0.536 45.611 45.100 -0.041 0.000 0.866 163 G HN 2.099 nan 8.290 nan 0.000 0.523 164 T N -2.825 111.789 114.554 0.099 0.000 3.186 164 T HA 0.617 4.967 4.350 0.001 0.000 0.292 164 T C 0.876 175.630 174.700 0.090 0.000 0.915 164 T CA 0.595 62.732 62.100 0.062 0.000 0.902 164 T CB 1.205 70.090 68.868 0.027 0.000 1.192 164 T HN 2.196 nan 8.240 nan 0.000 0.563 165 G N 1.950 110.848 108.800 0.163 0.000 2.404 165 G HA2 0.207 4.167 3.960 0.001 0.000 0.230 165 G HA3 0.207 4.167 3.960 0.001 0.000 0.230 165 G C 0.428 175.390 174.900 0.104 0.000 1.516 165 G CA -0.367 44.806 45.100 0.122 0.000 1.026 165 G HN 0.683 nan 8.290 nan 0.000 0.660 166 I N -0.048 120.527 120.570 0.008 0.000 2.290 166 I HA -0.303 3.867 4.170 0.001 0.000 0.253 166 I C 2.413 178.472 176.117 -0.097 0.000 1.112 166 I CA 2.259 63.449 61.300 -0.185 0.000 1.377 166 I CB -0.367 37.397 38.000 -0.395 0.000 1.060 166 I HN 0.692 nan 8.210 nan 0.000 0.428 167 E N 3.294 123.462 120.200 -0.053 0.000 2.005 167 E HA -0.254 4.096 4.350 0.001 0.000 0.198 167 E C 2.311 178.896 176.600 -0.025 0.000 1.010 167 E CA 1.742 58.117 56.400 -0.041 0.000 0.825 167 E CB -0.888 28.797 29.700 -0.026 0.000 0.769 167 E HN 0.569 nan 8.360 nan 0.000 0.456 168 A N 1.814 124.632 122.820 -0.003 0.000 2.019 168 A HA -0.184 4.137 4.320 0.001 0.000 0.219 168 A C 1.811 179.399 177.584 0.007 0.000 1.164 168 A CA 1.796 53.832 52.037 -0.001 0.000 0.644 168 A CB -0.402 18.603 19.000 0.008 0.000 0.805 168 A HN 0.231 nan 8.150 nan 0.000 0.449 169 D N 0.310 120.735 120.400 0.041 0.000 2.084 169 D HA -0.113 4.528 4.640 0.001 0.000 0.196 169 D C 1.905 178.211 176.300 0.009 0.000 0.985 169 D CA 1.307 55.353 54.000 0.076 0.000 0.826 169 D CB -0.437 40.501 40.800 0.231 0.000 0.978 169 D HN 0.512 nan 8.370 nan 0.000 0.456 170 I N 1.618 122.166 120.570 -0.036 0.000 2.194 170 I HA -0.309 3.862 4.170 0.001 0.000 0.246 170 I C 2.551 178.581 176.117 -0.145 0.000 1.093 170 I CA 1.244 62.481 61.300 -0.105 0.000 1.355 170 I CB -0.319 37.613 38.000 -0.113 0.000 1.046 170 I HN -0.075 nan 8.210 nan 0.000 0.413 171 A N 0.882 123.644 122.820 -0.097 0.000 1.902 171 A HA -0.213 4.108 4.320 0.001 0.000 0.217 171 A C 2.412 179.937 177.584 -0.099 0.000 1.181 171 A CA 1.583 53.563 52.037 -0.095 0.000 0.623 171 A CB -0.555 18.411 19.000 -0.056 0.000 0.818 171 A HN 0.339 nan 8.150 nan 0.000 0.443 172 R N -0.698 119.759 120.500 -0.070 0.000 2.070 172 R HA -0.093 4.247 4.340 0.001 0.000 0.233 172 R C 2.110 178.358 176.300 -0.087 0.000 1.137 172 R CA 1.571 57.634 56.100 -0.061 0.000 0.945 172 R CB -0.801 29.481 30.300 -0.031 0.000 0.845 172 R HN 0.378 nan 8.270 nan 0.000 0.430 173 V N 2.616 122.470 119.914 -0.099 0.000 2.219 173 V HA -0.344 3.777 4.120 0.001 0.000 0.248 173 V C 2.438 178.402 176.094 -0.216 0.000 1.053 173 V CA 2.401 64.626 62.300 -0.125 0.000 1.009 173 V CB -0.708 31.048 31.823 -0.110 0.000 0.636 173 V HN 0.479 nan 8.190 nan 0.000 0.445 174 K N 1.318 121.478 120.400 -0.400 0.000 2.152 174 K HA -0.122 4.198 4.320 0.001 0.000 0.206 174 K C 2.105 178.585 176.600 -0.200 0.000 1.048 174 K CA 1.737 57.697 56.287 -0.544 0.000 0.933 174 K CB -0.560 31.403 32.500 -0.896 0.000 0.721 174 K HN 0.366 nan 8.250 nan 0.000 0.447 175 A N 2.184 124.916 122.820 -0.148 0.000 1.858 175 A HA -0.095 4.226 4.320 0.001 0.000 0.216 175 A C 2.245 179.787 177.584 -0.069 0.000 1.190 175 A CA 1.612 53.602 52.037 -0.079 0.000 0.617 175 A CB -0.681 18.279 19.000 -0.067 0.000 0.827 175 A HN 0.325 nan 8.150 nan 0.000 0.443 176 I N -0.875 119.647 120.570 -0.079 0.000 2.163 176 I HA -0.293 3.878 4.170 0.001 0.000 0.243 176 I C 2.660 178.723 176.117 -0.089 0.000 1.085 176 I CA 1.816 63.074 61.300 -0.070 0.000 1.347 176 I CB -0.404 37.558 38.000 -0.064 0.000 1.044 176 I HN 0.344 nan 8.210 nan 0.000 0.408 177 R N 2.524 122.953 120.500 -0.117 0.000 2.132 177 R HA -0.237 4.104 4.340 0.001 0.000 0.233 177 R C 1.466 177.635 176.300 -0.218 0.000 1.125 177 R CA 2.176 58.157 56.100 -0.199 0.000 0.914 177 R CB -0.947 29.251 30.300 -0.170 0.000 0.845 177 R HN 0.574 nan 8.270 nan 0.000 0.431 178 E N -0.679 119.455 120.200 -0.111 0.000 2.705 178 E HA 0.185 4.536 4.350 0.001 0.000 0.272 178 E C 0.146 176.731 176.600 -0.025 0.000 1.528 178 E CA 0.447 56.823 56.400 -0.041 0.000 1.750 178 E CB 0.201 29.937 29.700 0.059 0.000 1.439 178 E HN 0.477 nan 8.360 nan 0.000 0.449 179 A N 0.524 123.314 122.820 -0.049 0.000 1.999 179 A HA 0.119 4.440 4.320 0.001 0.000 0.190 179 A C 1.740 179.309 177.584 -0.025 0.000 1.737 179 A CA 0.448 52.468 52.037 -0.028 0.000 1.257 179 A CB 0.384 19.365 19.000 -0.032 0.000 1.401 179 A HN 0.300 nan 8.150 nan 0.000 0.430 180 V N -3.684 116.204 119.914 -0.044 0.000 3.570 180 V HA 0.637 4.758 4.120 0.001 0.000 0.257 180 V C 1.067 177.148 176.094 -0.021 0.000 1.272 180 V CA 0.720 63.005 62.300 -0.026 0.000 1.079 180 V CB -0.369 31.439 31.823 -0.025 0.000 0.829 180 V HN 1.749 nan 8.190 nan 0.000 0.454 181 G N 0.243 109.006 108.800 -0.060 0.000 2.318 181 G HA2 -0.026 3.934 3.960 0.001 0.000 0.367 181 G HA3 -0.026 3.934 3.960 0.001 0.000 0.367 181 G C -0.593 174.232 174.900 -0.125 0.000 1.260 181 G CA -0.071 45.020 45.100 -0.017 0.000 1.055 181 G HN 0.114 nan 8.290 nan 0.000 0.484 182 F N 0.371 120.343 119.950 0.037 0.000 2.706 182 F HA 0.308 4.835 4.527 0.001 0.000 0.313 182 F C 1.817 177.638 175.800 0.034 0.000 1.096 182 F CA 0.286 58.308 58.000 0.037 0.000 1.219 182 F CB 0.905 39.921 39.000 0.026 0.000 1.051 182 F HN 0.326 nan 8.300 nan 0.000 0.568 183 D N 0.391 120.892 120.400 0.169 0.000 2.347 183 D HA 0.062 4.703 4.640 0.001 0.000 0.213 183 D C 0.744 177.094 176.300 0.084 0.000 0.985 183 D CA 0.723 54.792 54.000 0.114 0.000 0.879 183 D CB 0.597 41.447 40.800 0.084 0.000 0.919 183 D HN 0.037 nan 8.370 nan 0.000 0.526 184 I N 1.985 122.594 120.570 0.064 0.000 2.371 184 I HA 0.087 4.258 4.170 0.001 0.000 0.290 184 I C 0.699 176.846 176.117 0.051 0.000 1.028 184 I CA -0.460 60.870 61.300 0.049 0.000 1.345 184 I CB 0.658 38.673 38.000 0.025 0.000 1.407 184 I HN -0.376 nan 8.210 nan 0.000 0.501 185 K N 6.970 127.408 120.400 0.063 0.000 2.276 185 K HA 0.526 4.847 4.320 0.001 0.000 0.283 185 K C -0.785 175.848 176.600 0.054 0.000 1.044 185 K CA -0.345 55.981 56.287 0.065 0.000 0.944 185 K CB 1.025 33.566 32.500 0.068 0.000 1.012 185 K HN 0.436 nan 8.250 nan 0.000 0.472 186 L N 4.490 125.743 121.223 0.050 0.000 2.349 186 L HA 0.451 4.791 4.340 0.001 0.000 0.278 186 L C -0.151 176.749 176.870 0.050 0.000 0.996 186 L CA -0.900 53.964 54.840 0.040 0.000 0.825 186 L CB 1.411 43.483 42.059 0.021 0.000 1.243 186 L HN 0.620 nan 8.230 nan 0.000 0.412 187 R N 3.880 124.408 120.500 0.046 0.000 2.514 187 R HA 0.816 5.157 4.340 0.001 0.000 0.301 187 R C -1.292 175.032 176.300 0.042 0.000 0.962 187 R CA -0.837 55.292 56.100 0.048 0.000 0.882 187 R CB 1.641 31.968 30.300 0.044 0.000 1.143 187 R HN 0.459 nan 8.270 nan 0.000 0.452 188 L N 1.313 122.566 121.223 0.049 0.000 2.334 188 L HA 0.503 4.844 4.340 0.001 0.000 0.270 188 L C -0.575 176.298 176.870 0.006 0.000 1.018 188 L CA -0.987 53.878 54.840 0.041 0.000 0.811 188 L CB 1.692 43.804 42.059 0.089 0.000 1.271 188 L HN 0.694 nan 8.230 nan 0.000 0.443 189 D N 0.578 120.956 120.400 -0.037 0.000 2.616 189 D HA 0.402 5.043 4.640 0.001 0.000 0.238 189 D C -0.264 175.925 176.300 -0.185 0.000 1.354 189 D CA -0.365 53.582 54.000 -0.088 0.000 0.970 189 D CB 2.153 42.926 40.800 -0.046 0.000 1.369 189 D HN 0.560 nan 8.370 nan 0.000 0.585 190 A N 3.481 126.090 122.820 -0.352 0.000 2.345 190 A HA 0.188 4.509 4.320 0.001 0.000 0.225 190 A C 0.690 178.023 177.584 -0.419 0.000 1.243 190 A CA -0.250 51.439 52.037 -0.580 0.000 0.875 190 A CB -0.743 17.416 19.000 -1.401 0.000 0.929 190 A HN 0.727 nan 8.150 nan 0.000 0.502 191 N N 0.941 119.491 118.700 -0.249 0.000 2.700 191 N HA -0.267 4.474 4.740 0.001 0.000 0.265 191 N C 0.045 175.448 175.510 -0.179 0.000 0.975 191 N CA 0.940 53.889 53.050 -0.168 0.000 0.800 191 N CB -1.167 37.235 38.487 -0.142 0.000 0.908 191 N HN 0.695 nan 8.380 nan 0.000 0.551 192 Q N -3.975 115.714 119.800 -0.184 0.000 2.406 192 Q HA -0.351 3.990 4.340 0.001 0.000 0.236 192 Q C 1.251 177.155 176.000 -0.161 0.000 0.799 192 Q CA 0.934 56.657 55.803 -0.133 0.000 1.286 192 Q CB -1.655 27.047 28.738 -0.060 0.000 1.615 192 Q HN 0.720 nan 8.270 nan 0.000 0.621 193 A N -0.397 122.235 122.820 -0.313 0.000 2.015 193 A HA -0.074 4.246 4.320 0.001 0.000 0.219 193 A C 0.524 178.067 177.584 -0.069 0.000 1.163 193 A CA 0.905 52.779 52.037 -0.272 0.000 0.646 193 A CB -0.040 18.718 19.000 -0.404 0.000 0.806 193 A HN 0.437 nan 8.150 nan 0.000 0.448 194 W N -0.422 120.885 121.300 0.011 0.000 2.578 194 W HA 0.522 5.182 4.660 0.001 0.000 0.364 194 W C 0.460 176.992 176.519 0.022 0.000 1.144 194 W CA -0.423 56.931 57.345 0.016 0.000 1.242 194 W CB -0.128 29.346 29.460 0.024 0.000 1.382 194 W HN 0.125 nan 8.180 nan 0.000 0.625 195 T N -2.039 112.682 114.554 0.279 0.000 2.902 195 T HA 0.296 4.647 4.350 0.001 0.000 0.280 195 T C -1.837 172.971 174.700 0.179 0.000 0.992 195 T CA -1.587 60.607 62.100 0.156 0.000 1.015 195 T CB 1.995 70.915 68.868 0.087 0.000 1.044 195 T HN -0.050 nan 8.240 nan 0.000 0.520 196 P HA -0.121 nan 4.420 nan 0.000 0.213 196 P C 1.454 178.922 177.300 0.279 0.000 1.176 196 P CA 1.485 64.718 63.100 0.222 0.000 0.919 196 P CB 0.060 31.806 31.700 0.076 0.000 0.791 197 K N -1.008 119.486 120.400 0.156 0.000 2.147 197 K HA -0.139 4.181 4.320 0.001 0.000 0.205 197 K C 1.641 178.291 176.600 0.083 0.000 1.049 197 K CA 1.390 57.783 56.287 0.176 0.000 0.936 197 K CB -0.551 31.987 32.500 0.063 0.000 0.722 197 K HN 0.131 nan 8.250 nan 0.000 0.446 198 D N 0.517 120.941 120.400 0.041 0.000 2.183 198 D HA -0.070 4.571 4.640 0.001 0.000 0.203 198 D C 1.720 177.910 176.300 -0.183 0.000 0.969 198 D CA 0.885 54.845 54.000 -0.067 0.000 0.842 198 D CB 0.004 40.777 40.800 -0.045 0.000 0.957 198 D HN 0.182 nan 8.370 nan 0.000 0.484 199 A N 0.271 123.096 122.820 0.009 0.000 1.897 199 A HA -0.086 4.235 4.320 0.001 0.000 0.215 199 A C 2.431 179.999 177.584 -0.026 0.000 1.181 199 A CA 0.858 52.932 52.037 0.061 0.000 0.620 199 A CB -0.602 18.650 19.000 0.419 0.000 0.821 199 A HN 0.128 nan 8.150 nan 0.000 0.443 200 V N 0.361 120.298 119.914 0.040 0.000 2.407 200 V HA -0.259 3.862 4.120 0.001 0.000 0.248 200 V C 2.526 178.591 176.094 -0.049 0.000 1.055 200 V CA 2.380 64.681 62.300 0.003 0.000 1.049 200 V CB -0.621 31.218 31.823 0.026 0.000 0.662 200 V HN 0.697 nan 8.190 nan 0.000 0.455 201 K N 0.420 120.773 120.400 -0.077 0.000 2.025 201 K HA -0.139 4.181 4.320 0.001 0.000 0.207 201 K C 2.197 178.697 176.600 -0.168 0.000 1.049 201 K CA 1.538 57.763 56.287 -0.102 0.000 0.933 201 K CB -0.358 32.080 32.500 -0.104 0.000 0.714 201 K HN 0.396 nan 8.250 nan 0.000 0.438 202 A N 1.050 123.676 122.820 -0.324 0.000 1.972 202 A HA -0.097 4.224 4.320 0.001 0.000 0.219 202 A C 2.035 179.467 177.584 -0.252 0.000 1.169 202 A CA 1.323 53.100 52.037 -0.434 0.000 0.635 202 A CB -0.489 17.896 19.000 -1.024 0.000 0.810 202 A HN 0.370 nan 8.150 nan 0.000 0.446 203 I N -0.894 119.578 120.570 -0.163 0.000 2.406 203 I HA -0.218 3.953 4.170 0.001 0.000 0.249 203 I C 2.438 178.558 176.117 0.005 0.000 1.122 203 I CA 0.997 62.287 61.300 -0.017 0.000 1.431 203 I CB -0.342 37.685 38.000 0.045 0.000 1.087 203 I HN 0.393 nan 8.210 nan 0.000 0.424 204 Q N 0.666 120.456 119.800 -0.017 0.000 2.436 204 Q HA -0.025 4.316 4.340 0.001 0.000 0.209 204 Q C 2.254 178.267 176.000 0.022 0.000 0.965 204 Q CA 0.999 56.804 55.803 0.003 0.000 0.910 204 Q CB -0.014 28.718 28.738 -0.011 0.000 0.980 204 Q HN 0.534 nan 8.270 nan 0.000 0.491 205 A N 0.360 123.186 122.820 0.010 0.000 1.970 205 A HA -0.053 4.268 4.320 0.001 0.000 0.216 205 A C 1.481 179.156 177.584 0.152 0.000 1.170 205 A CA 0.744 52.807 52.037 0.044 0.000 0.645 205 A CB 0.102 19.093 19.000 -0.016 0.000 0.816 205 A HN 0.217 nan 8.150 nan 0.000 0.447 206 L N -0.180 121.135 121.223 0.152 0.000 2.653 206 L HA 0.284 4.625 4.340 0.001 0.000 0.232 206 L C 2.301 179.339 176.870 0.279 0.000 1.169 206 L CA 0.642 55.670 54.840 0.313 0.000 0.951 206 L CB -0.886 41.274 42.059 0.168 0.000 1.181 206 L HN 0.342 nan 8.230 nan 0.000 0.460 207 A N -0.469 122.446 122.820 0.158 0.000 1.917 207 A HA -0.206 4.115 4.320 0.001 0.000 0.219 207 A C 1.585 179.195 177.584 0.043 0.000 1.182 207 A CA 1.916 54.001 52.037 0.081 0.000 0.633 207 A CB -0.308 18.715 19.000 0.039 0.000 0.819 207 A HN 0.403 nan 8.150 nan 0.000 0.448 208 D N -2.139 118.239 120.400 -0.038 0.000 2.460 208 D HA 0.199 4.840 4.640 0.001 0.000 0.229 208 D C -0.415 175.674 176.300 -0.352 0.000 1.170 208 D CA 0.213 54.090 54.000 -0.204 0.000 0.827 208 D CB 0.050 40.669 40.800 -0.301 0.000 0.973 208 D HN 0.613 nan 8.370 nan 0.000 0.496 209 Y N 0.293 120.691 120.300 0.165 0.000 2.588 209 Y HA 0.120 4.671 4.550 0.001 0.000 0.247 209 Y C 0.596 176.627 175.900 0.219 0.000 1.157 209 Y CA -0.473 57.749 58.100 0.203 0.000 1.215 209 Y CB 0.350 38.860 38.460 0.083 0.000 1.245 209 Y HN -0.086 nan 8.280 nan 0.000 0.534 210 Q N 1.682 121.664 119.800 0.302 0.000 2.448 210 Q HA -0.178 4.162 4.340 0.001 0.000 0.357 210 Q C -1.255 174.853 176.000 0.181 0.000 1.443 210 Q CA -0.073 55.876 55.803 0.244 0.000 0.996 210 Q CB -0.819 28.140 28.738 0.368 0.000 1.180 210 Q HN 0.213 nan 8.270 nan 0.000 0.338 211 I N 2.304 122.963 120.570 0.149 0.000 2.342 211 I HA 0.040 4.211 4.170 0.001 0.000 0.291 211 I C 1.559 177.732 176.117 0.094 0.000 1.010 211 I CA 0.318 61.688 61.300 0.116 0.000 1.308 211 I CB 1.263 39.333 38.000 0.117 0.000 1.400 211 I HN 0.600 nan 8.210 nan 0.000 0.488 212 E N 6.058 126.307 120.200 0.082 0.000 2.047 212 E HA -0.115 4.236 4.350 0.001 0.000 0.191 212 E C -0.406 176.231 176.600 0.062 0.000 0.987 212 E CA 1.251 57.692 56.400 0.069 0.000 0.799 212 E CB 0.421 30.159 29.700 0.063 0.000 0.752 212 E HN 0.564 nan 8.360 nan 0.000 0.449 213 L N -3.800 117.461 121.223 0.064 0.000 2.869 213 L HA 0.456 4.797 4.340 0.001 0.000 0.265 213 L C -1.404 175.506 176.870 0.068 0.000 1.011 213 L CA -1.089 53.788 54.840 0.060 0.000 0.913 213 L CB 1.692 43.779 42.059 0.048 0.000 1.490 213 L HN -0.314 nan 8.230 nan 0.000 0.410 214 V N 0.483 120.440 119.914 0.072 0.000 2.444 214 V HA 0.550 4.671 4.120 0.001 0.000 0.294 214 V C -0.310 175.810 176.094 0.043 0.000 1.022 214 V CA -0.332 62.015 62.300 0.078 0.000 0.850 214 V CB 1.385 33.294 31.823 0.144 0.000 0.992 214 V HN 0.877 nan 8.190 nan 0.000 0.426 215 E N 2.986 123.191 120.200 0.008 0.000 2.227 215 E HA 0.333 4.683 4.350 0.001 0.000 0.282 215 E C -0.121 176.451 176.600 -0.047 0.000 1.015 215 E CA -0.657 55.737 56.400 -0.010 0.000 0.823 215 E CB 0.748 30.439 29.700 -0.014 0.000 1.081 215 E HN 0.644 nan 8.360 nan 0.000 0.396 216 Q N 4.007 123.795 119.800 -0.020 0.000 2.374 216 Q HA -0.171 4.170 4.340 0.001 0.000 0.363 216 Q C -1.998 173.945 176.000 -0.095 0.000 1.274 216 Q CA 0.572 56.357 55.803 -0.030 0.000 1.135 216 Q CB -0.024 28.701 28.738 -0.022 0.000 1.271 216 Q HN 0.449 nan 8.270 nan 0.000 0.304 217 P HA -0.052 nan 4.420 nan 0.000 0.225 217 P C 0.354 177.641 177.300 -0.020 0.000 1.156 217 P CA 1.310 64.365 63.100 -0.075 0.000 0.787 217 P CB 0.205 32.024 31.700 0.199 0.000 0.802 218 V N -4.429 115.502 119.914 0.029 0.000 3.181 218 V HA 0.550 4.671 4.120 0.001 0.000 0.314 218 V C 0.004 176.107 176.094 0.015 0.000 1.173 218 V CA -1.643 60.687 62.300 0.050 0.000 1.052 218 V CB 1.203 33.084 31.823 0.097 0.000 1.123 218 V HN -0.347 nan 8.190 nan 0.000 0.454 219 K N 1.490 121.903 120.400 0.021 0.000 2.524 219 K HA 0.029 4.350 4.320 0.001 0.000 0.279 219 K C 1.620 178.230 176.600 0.016 0.000 0.993 219 K CA 0.794 57.088 56.287 0.012 0.000 1.030 219 K CB 0.482 32.989 32.500 0.012 0.000 0.891 219 K HN 0.905 nan 8.250 nan 0.000 0.488 220 R N 2.438 122.949 120.500 0.018 0.000 2.127 220 R HA -0.125 4.215 4.340 0.001 0.000 0.238 220 R C 1.096 177.395 176.300 -0.002 0.000 1.134 220 R CA 1.038 57.152 56.100 0.023 0.000 0.975 220 R CB -0.031 30.294 30.300 0.042 0.000 0.865 220 R HN 0.318 nan 8.270 nan 0.000 0.447 221 R N 0.743 121.235 120.500 -0.014 0.000 2.276 221 R HA 0.022 4.362 4.340 0.001 0.000 0.196 221 R C 0.052 176.346 176.300 -0.010 0.000 0.961 221 R CA 0.422 56.506 56.100 -0.027 0.000 1.024 221 R CB -0.275 30.002 30.300 -0.037 0.000 0.940 221 R HN 0.238 nan 8.270 nan 0.000 0.480 222 D N 1.204 121.607 120.400 0.005 0.000 2.619 222 D HA 0.026 4.667 4.640 0.001 0.000 0.224 222 D C 0.903 177.220 176.300 0.028 0.000 1.133 222 D CA -0.128 53.881 54.000 0.016 0.000 1.017 222 D CB 0.237 41.051 40.800 0.024 0.000 1.077 222 D HN -0.158 nan 8.370 nan 0.000 0.503 223 L N 1.707 122.943 121.223 0.021 0.000 2.141 223 L HA -0.064 4.277 4.340 0.001 0.000 0.209 223 L C 2.079 178.976 176.870 0.044 0.000 1.094 223 L CA 1.428 56.286 54.840 0.030 0.000 0.763 223 L CB -0.420 41.650 42.059 0.017 0.000 0.908 223 L HN 0.381 nan 8.230 nan 0.000 0.437 224 E N -1.042 119.182 120.200 0.040 0.000 2.106 224 E HA -0.130 4.221 4.350 0.001 0.000 0.192 224 E C 2.192 178.846 176.600 0.090 0.000 0.984 224 E CA 0.956 57.388 56.400 0.054 0.000 0.806 224 E CB -0.362 29.357 29.700 0.031 0.000 0.750 224 E HN 0.555 nan 8.360 nan 0.000 0.458 225 G N 1.613 110.459 108.800 0.077 0.000 2.408 225 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 225 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 225 G C 1.579 176.585 174.900 0.176 0.000 1.150 225 G CA 0.331 45.501 45.100 0.117 0.000 0.776 225 G HN 0.122 nan 8.290 nan 0.000 0.542 226 L N 0.817 122.112 121.223 0.119 0.000 2.046 226 L HA 0.094 4.435 4.340 0.001 0.000 0.208 226 L C 2.602 179.535 176.870 0.105 0.000 1.077 226 L CA 2.344 57.248 54.840 0.107 0.000 0.747 226 L CB -0.468 41.635 42.059 0.072 0.000 0.896 226 L HN 0.253 nan 8.230 nan 0.000 0.432 227 K N -1.923 118.537 120.400 0.101 0.000 2.148 227 K HA -0.254 4.066 4.320 0.001 0.000 0.204 227 K C 2.254 178.912 176.600 0.097 0.000 1.050 227 K CA 1.449 57.785 56.287 0.082 0.000 0.942 227 K CB -0.399 32.145 32.500 0.073 0.000 0.724 227 K HN 0.424 nan 8.250 nan 0.000 0.446 228 Y N 1.272 121.590 120.300 0.031 0.000 2.097 228 Y HA -0.265 4.286 4.550 0.001 0.000 0.282 228 Y C 1.858 177.780 175.900 0.036 0.000 1.152 228 Y CA 1.697 59.815 58.100 0.030 0.000 1.136 228 Y CB -0.560 37.919 38.460 0.030 0.000 0.975 228 Y HN -0.168 nan 8.280 nan 0.000 0.498 229 V N 0.039 119.958 119.914 0.008 0.000 2.231 229 V HA -0.396 3.724 4.120 0.001 0.000 0.248 229 V C 2.316 178.357 176.094 -0.088 0.000 1.054 229 V CA 2.687 64.950 62.300 -0.061 0.000 1.015 229 V CB -1.367 30.517 31.823 0.102 0.000 0.638 229 V HN 0.546 nan 8.190 nan 0.000 0.444 230 T N 0.600 115.142 114.554 -0.020 0.000 2.699 230 T HA -0.187 4.163 4.350 0.001 0.000 0.268 230 T C 1.692 176.361 174.700 -0.052 0.000 1.036 230 T CA 1.927 64.017 62.100 -0.016 0.000 1.147 230 T CB -0.402 68.472 68.868 0.010 0.000 0.862 230 T HN 0.705 nan 8.240 nan 0.000 0.446 231 S N 0.148 115.797 115.700 -0.085 0.000 2.710 231 S HA 0.169 4.639 4.470 0.001 0.000 0.224 231 S C 1.399 175.900 174.600 -0.165 0.000 0.948 231 S CA -0.221 57.923 58.200 -0.094 0.000 0.949 231 S CB 0.069 63.236 63.200 -0.056 0.000 0.778 231 S HN 0.259 nan 8.310 nan 0.000 0.498 232 Q N 0.386 120.053 119.800 -0.221 0.000 2.254 232 Q HA 0.300 4.641 4.340 0.001 0.000 0.259 232 Q C 0.455 176.373 176.000 -0.136 0.000 0.815 232 Q CA 0.453 56.107 55.803 -0.249 0.000 0.961 232 Q CB 1.480 29.922 28.738 -0.492 0.000 1.140 232 Q HN 0.639 nan 8.270 nan 0.000 0.502 233 V N -1.036 118.821 119.914 -0.096 0.000 2.815 233 V HA 0.514 4.635 4.120 0.001 0.000 0.314 233 V C 0.645 176.725 176.094 -0.024 0.000 1.064 233 V CA -0.836 61.438 62.300 -0.044 0.000 0.952 233 V CB 2.097 33.908 31.823 -0.019 0.000 1.020 233 V HN 0.031 nan 8.190 nan 0.000 0.439 234 N N 1.170 119.865 118.700 -0.009 0.000 2.463 234 N HA -0.008 4.732 4.740 0.001 0.000 0.181 234 N C 0.611 176.129 175.510 0.012 0.000 1.078 234 N CA 0.384 53.434 53.050 -0.001 0.000 0.902 234 N CB 0.228 38.716 38.487 0.001 0.000 0.970 234 N HN 0.878 nan 8.380 nan 0.000 0.451 235 T N 0.606 115.173 114.554 0.021 0.000 2.900 235 T HA 0.039 4.390 4.350 0.001 0.000 0.307 235 T C 0.069 174.790 174.700 0.035 0.000 1.065 235 T CA 0.292 62.414 62.100 0.037 0.000 1.105 235 T CB 0.990 69.890 68.868 0.053 0.000 0.979 235 T HN -0.004 nan 8.240 nan 0.000 0.544 236 T N 4.191 118.769 114.554 0.040 0.000 2.779 236 T HA 0.286 4.637 4.350 0.001 0.000 0.296 236 T C 0.141 174.867 174.700 0.043 0.000 0.938 236 T CA -0.421 61.701 62.100 0.036 0.000 1.119 236 T CB -0.086 68.803 68.868 0.035 0.000 0.891 236 T HN 0.243 nan 8.240 nan 0.000 0.526 237 I N 4.161 124.754 120.570 0.039 0.000 2.359 237 I HA 0.407 4.578 4.170 0.001 0.000 0.294 237 I C 0.116 176.255 176.117 0.037 0.000 0.987 237 I CA -0.793 60.534 61.300 0.045 0.000 1.225 237 I CB 1.363 39.392 38.000 0.048 0.000 1.366 237 I HN 0.615 nan 8.210 nan 0.000 0.466 238 M N 5.330 124.952 119.600 0.036 0.000 2.436 238 M HA 0.704 5.185 4.480 0.001 0.000 0.331 238 M C -0.811 175.507 176.300 0.030 0.000 1.135 238 M CA -0.585 54.733 55.300 0.029 0.000 0.987 238 M CB 1.997 34.612 32.600 0.025 0.000 1.687 238 M HN 0.669 nan 8.290 nan 0.000 0.445 239 A N 3.085 125.925 122.820 0.034 0.000 2.290 239 A HA 0.456 4.777 4.320 0.001 0.000 0.310 239 A C -0.584 177.027 177.584 0.046 0.000 1.202 239 A CA -0.487 51.576 52.037 0.042 0.000 0.837 239 A CB 0.844 19.874 19.000 0.049 0.000 1.139 239 A HN 0.955 nan 8.150 nan 0.000 0.509 240 D N 0.938 121.370 120.400 0.053 0.000 3.074 240 D HA 0.033 4.673 4.640 0.001 0.000 0.227 240 D C 1.252 177.621 176.300 0.115 0.000 1.553 240 D CA 0.545 54.578 54.000 0.054 0.000 1.347 240 D CB -0.130 40.687 40.800 0.028 0.000 1.021 240 D HN 0.457 nan 8.370 nan 0.000 0.260 241 E N 0.043 120.325 120.200 0.138 0.000 2.267 241 E HA -0.018 4.333 4.350 0.001 0.000 0.197 241 E C 1.824 178.617 176.600 0.322 0.000 0.998 241 E CA 0.827 57.397 56.400 0.284 0.000 0.830 241 E CB -0.051 29.780 29.700 0.217 0.000 0.751 241 E HN 0.039 nan 8.360 nan 0.000 0.491 242 S N -0.651 115.154 115.700 0.174 0.000 2.561 242 S HA -0.002 4.468 4.470 0.001 0.000 0.225 242 S C 0.349 175.033 174.600 0.141 0.000 0.977 242 S CA 0.135 58.402 58.200 0.111 0.000 0.926 242 S CB 0.060 63.300 63.200 0.067 0.000 0.769 242 S HN 0.330 nan 8.310 nan 0.000 0.533 243 C N 1.223 120.664 119.300 0.235 0.000 2.455 243 C HA 0.572 5.033 4.460 0.001 0.000 0.321 243 C C 0.542 175.756 174.990 0.374 0.000 1.102 243 C CA -0.899 58.258 59.018 0.231 0.000 1.413 243 C CB -1.346 26.469 27.740 0.126 0.000 1.952 243 C HN 0.386 nan 8.230 nan 0.000 0.428 244 F N 2.309 122.292 119.950 0.055 0.000 2.315 244 F HA 0.222 4.750 4.527 0.001 0.000 0.284 244 F C 1.377 177.223 175.800 0.076 0.000 1.049 244 F CA 0.880 58.932 58.000 0.086 0.000 1.323 244 F CB -0.172 38.913 39.000 0.142 0.000 1.113 244 F HN 0.631 nan 8.300 nan 0.000 0.544 245 D N -1.580 118.990 120.400 0.283 0.000 2.689 245 D HA 0.480 5.120 4.640 0.001 0.000 0.255 245 D C 1.049 177.407 176.300 0.098 0.000 1.113 245 D CA -0.157 53.942 54.000 0.165 0.000 1.115 245 D CB 0.204 41.109 40.800 0.176 0.000 1.334 245 D HN -0.008 nan 8.370 nan 0.000 0.621 246 A N -0.757 122.099 122.820 0.060 0.000 1.933 246 A HA -0.207 4.113 4.320 0.001 0.000 0.218 246 A C 1.980 179.584 177.584 0.033 0.000 1.175 246 A CA 1.637 53.692 52.037 0.030 0.000 0.628 246 A CB -0.956 18.047 19.000 0.004 0.000 0.814 246 A HN 0.588 nan 8.150 nan 0.000 0.444 247 Q N -0.512 119.313 119.800 0.043 0.000 2.119 247 Q HA -0.167 4.174 4.340 0.001 0.000 0.201 247 Q C 1.337 177.355 176.000 0.030 0.000 0.972 247 Q CA 1.348 57.170 55.803 0.032 0.000 0.847 247 Q CB -0.178 28.580 28.738 0.033 0.000 0.903 247 Q HN 0.596 nan 8.270 nan 0.000 0.433 248 D N 0.537 120.965 120.400 0.046 0.000 2.097 248 D HA -0.109 4.532 4.640 0.001 0.000 0.197 248 D C 1.819 178.144 176.300 0.041 0.000 0.984 248 D CA 1.293 55.319 54.000 0.042 0.000 0.826 248 D CB -0.202 40.643 40.800 0.076 0.000 0.973 248 D HN 0.226 nan 8.370 nan 0.000 0.460 249 A N 0.956 123.803 122.820 0.045 0.000 1.908 249 A HA -0.173 4.147 4.320 0.001 0.000 0.218 249 A C 2.158 179.755 177.584 0.022 0.000 1.181 249 A CA 1.113 53.170 52.037 0.033 0.000 0.627 249 A CB -0.776 18.240 19.000 0.027 0.000 0.818 249 A HN 0.235 nan 8.150 nan 0.000 0.445 250 L N -0.165 121.069 121.223 0.018 0.000 2.046 250 L HA -0.147 4.194 4.340 0.001 0.000 0.208 250 L C 2.241 179.119 176.870 0.012 0.000 1.077 250 L CA 2.716 57.563 54.840 0.012 0.000 0.747 250 L CB -0.687 41.379 42.059 0.011 0.000 0.896 250 L HN 0.509 nan 8.230 nan 0.000 0.432 251 E N -0.591 119.618 120.200 0.014 0.000 2.072 251 E HA -0.186 4.165 4.350 0.001 0.000 0.191 251 E C 2.149 178.757 176.600 0.014 0.000 0.985 251 E CA 1.508 57.914 56.400 0.011 0.000 0.801 251 E CB -0.338 29.366 29.700 0.008 0.000 0.750 251 E HN 0.560 nan 8.360 nan 0.000 0.452 252 L N -0.056 121.178 121.223 0.019 0.000 2.056 252 L HA -0.139 4.201 4.340 0.001 0.000 0.207 252 L C 2.541 179.422 176.870 0.018 0.000 1.078 252 L CA 1.262 56.115 54.840 0.022 0.000 0.749 252 L CB -0.707 41.369 42.059 0.028 0.000 0.901 252 L HN 0.198 nan 8.230 nan 0.000 0.433 253 V N -2.038 117.885 119.914 0.015 0.000 2.427 253 V HA -0.260 3.860 4.120 0.001 0.000 0.248 253 V C 2.479 178.580 176.094 0.011 0.000 1.051 253 V CA 1.934 64.242 62.300 0.012 0.000 1.048 253 V CB -0.830 30.997 31.823 0.008 0.000 0.666 253 V HN 0.439 nan 8.190 nan 0.000 0.456 254 K N 0.938 121.345 120.400 0.011 0.000 2.026 254 K HA -0.164 4.156 4.320 0.001 0.000 0.208 254 K C 2.208 178.815 176.600 0.012 0.000 1.048 254 K CA 1.881 58.174 56.287 0.010 0.000 0.929 254 K CB -0.169 32.336 32.500 0.009 0.000 0.713 254 K HN 0.531 nan 8.250 nan 0.000 0.439 255 K N -0.893 119.515 120.400 0.014 0.000 2.365 255 K HA 0.069 4.390 4.320 0.001 0.000 0.197 255 K C 0.681 177.292 176.600 0.019 0.000 1.042 255 K CA 0.584 56.881 56.287 0.017 0.000 0.987 255 K CB 0.334 32.846 32.500 0.020 0.000 0.779 255 K HN 0.445 nan 8.250 nan 0.000 0.484 256 G N 1.926 110.736 108.800 0.018 0.000 2.246 256 G HA2 -0.262 3.699 3.960 0.001 0.000 0.273 256 G HA3 -0.262 3.699 3.960 0.001 0.000 0.273 256 G C 0.623 175.536 174.900 0.022 0.000 1.055 256 G CA 0.633 45.743 45.100 0.017 0.000 0.851 256 G HN 0.263 nan 8.290 nan 0.000 0.500 257 T N -1.464 113.105 114.554 0.026 0.000 2.788 257 T HA 0.212 4.562 4.350 0.001 0.000 0.268 257 T C 1.486 176.205 174.700 0.033 0.000 1.044 257 T CA 1.865 63.985 62.100 0.033 0.000 1.139 257 T CB -0.070 68.818 68.868 0.034 0.000 0.867 257 T HN 1.643 nan 8.240 nan 0.000 0.454 258 V N -2.040 117.891 119.914 0.028 0.000 3.165 258 V HA 0.550 4.671 4.120 0.001 0.000 0.309 258 V C -0.516 175.591 176.094 0.022 0.000 1.267 258 V CA -0.941 61.376 62.300 0.028 0.000 1.067 258 V CB 1.969 33.812 31.823 0.032 0.000 1.082 258 V HN -0.171 nan 8.190 nan 0.000 0.451 259 D N -0.193 120.220 120.400 0.022 0.000 2.324 259 D HA 0.278 4.918 4.640 0.001 0.000 0.212 259 D C 0.314 176.624 176.300 0.017 0.000 0.984 259 D CA 1.169 55.180 54.000 0.018 0.000 0.885 259 D CB 1.445 42.257 40.800 0.019 0.000 0.996 259 D HN 0.404 nan 8.370 nan 0.000 0.505 260 V N 1.005 120.932 119.914 0.020 0.000 3.007 260 V HA 0.446 4.566 4.120 0.001 0.000 0.311 260 V C -0.602 175.504 176.094 0.020 0.000 1.120 260 V CA -0.822 61.489 62.300 0.018 0.000 0.980 260 V CB 3.219 35.053 31.823 0.019 0.000 1.033 260 V HN -0.117 nan 8.190 nan 0.000 0.429 261 I N 2.487 123.066 120.570 0.016 0.000 2.545 261 I HA 0.397 4.567 4.170 0.001 0.000 0.292 261 I C -0.581 175.544 176.117 0.013 0.000 1.040 261 I CA -0.550 60.761 61.300 0.020 0.000 1.068 261 I CB 2.104 40.117 38.000 0.021 0.000 1.251 261 I HN 0.612 nan 8.210 nan 0.000 0.424 262 N N 7.526 126.235 118.700 0.015 0.000 2.408 262 N HA 0.393 5.133 4.740 0.001 0.000 0.257 262 N C -1.072 174.435 175.510 -0.005 0.000 1.064 262 N CA -0.107 52.944 53.050 0.003 0.000 0.952 262 N CB 0.889 39.377 38.487 0.002 0.000 1.093 262 N HN 0.473 nan 8.380 nan 0.000 0.490 263 I N 2.974 123.536 120.570 -0.015 0.000 2.359 263 I HA 0.285 4.455 4.170 0.001 0.000 0.294 263 I C 0.238 176.329 176.117 -0.043 0.000 0.987 263 I CA -0.510 60.776 61.300 -0.024 0.000 1.225 263 I CB 1.208 39.194 38.000 -0.024 0.000 1.366 263 I HN 0.224 nan 8.210 nan 0.000 0.466 264 K N 6.033 126.395 120.400 -0.063 0.000 2.471 264 K HA 0.417 4.737 4.320 0.001 0.000 0.252 264 K C 0.454 177.008 176.600 -0.077 0.000 0.938 264 K CA -0.671 55.567 56.287 -0.081 0.000 0.796 264 K CB 2.469 34.899 32.500 -0.118 0.000 1.161 264 K HN 0.539 nan 8.250 nan 0.000 0.425 265 L N 1.859 123.045 121.223 -0.061 0.000 2.079 265 L HA -0.172 4.168 4.340 0.001 0.000 0.210 265 L C 1.688 178.528 176.870 -0.050 0.000 1.081 265 L CA 1.176 55.991 54.840 -0.042 0.000 0.752 265 L CB -0.232 41.808 42.059 -0.031 0.000 0.896 265 L HN 0.668 nan 8.230 nan 0.000 0.433 266 M N -0.684 118.867 119.600 -0.081 0.000 2.659 266 M HA -0.064 4.417 4.480 0.001 0.000 0.243 266 M C 1.679 177.886 176.300 -0.156 0.000 1.111 266 M CA 1.230 56.469 55.300 -0.103 0.000 1.070 266 M CB -0.661 31.873 32.600 -0.110 0.000 1.525 266 M HN 0.226 nan 8.290 nan 0.000 0.517 267 K N -0.511 119.778 120.400 -0.185 0.000 2.287 267 K HA 0.049 4.369 4.320 0.001 0.000 0.199 267 K C 1.880 178.430 176.600 -0.084 0.000 1.061 267 K CA 0.971 57.067 56.287 -0.317 0.000 0.976 267 K CB 0.428 32.634 32.500 -0.489 0.000 0.898 267 K HN 0.490 nan 8.250 nan 0.000 0.492 268 C N -1.154 118.133 119.300 -0.022 0.000 2.735 268 C HA 0.441 4.901 4.460 0.001 0.000 0.271 268 C C 1.336 176.372 174.990 0.077 0.000 1.281 268 C CA 0.046 59.102 59.018 0.063 0.000 1.719 268 C CB -0.297 27.465 27.740 0.038 0.000 2.024 268 C HN 0.559 nan 8.230 nan 0.000 0.566 269 G N -0.025 108.808 108.800 0.055 0.000 2.141 269 G HA2 0.435 4.396 3.960 0.001 0.000 0.195 269 G HA3 0.435 4.396 3.960 0.001 0.000 0.195 269 G C 0.603 175.615 174.900 0.186 0.000 1.012 269 G CA 0.176 45.343 45.100 0.112 0.000 0.696 269 G HN 2.495 nan 8.290 nan 0.000 0.508 270 G N -1.505 107.360 108.800 0.107 0.000 2.525 270 G HA2 0.115 4.076 3.960 0.001 0.000 0.685 270 G HA3 0.115 4.076 3.960 0.001 0.000 0.685 270 G C 0.823 175.763 174.900 0.066 0.000 1.290 270 G CA -0.137 45.038 45.100 0.125 0.000 0.915 270 G HN 0.950 nan 8.290 nan 0.000 0.548 271 I N -0.182 120.395 120.570 0.012 0.000 2.151 271 I HA -0.258 3.912 4.170 0.001 0.000 0.243 271 I C 2.443 178.507 176.117 -0.088 0.000 1.080 271 I CA 1.985 63.181 61.300 -0.173 0.000 1.339 271 I CB -0.313 37.307 38.000 -0.632 0.000 1.039 271 I HN 0.728 nan 8.210 nan 0.000 0.409 272 H N 0.722 119.810 119.070 0.030 0.000 2.390 272 H HA -0.245 4.311 4.556 0.001 0.000 0.298 272 H C 2.069 177.318 175.328 -0.131 0.000 1.106 272 H CA 2.240 58.293 56.048 0.008 0.000 1.297 272 H CB 0.269 29.986 29.762 -0.074 0.000 1.375 272 H HN 0.335 nan 8.280 nan 0.000 0.509 273 E N 0.216 120.340 120.200 -0.127 0.000 2.170 273 E HA 0.043 4.393 4.350 0.001 0.000 0.191 273 E C 2.266 178.811 176.600 -0.092 0.000 0.981 273 E CA 0.926 57.251 56.400 -0.126 0.000 0.830 273 E CB -0.203 29.472 29.700 -0.042 0.000 0.775 273 E HN 0.467 nan 8.360 nan 0.000 0.470 274 A N 0.639 123.415 122.820 -0.072 0.000 1.933 274 A HA -0.128 4.192 4.320 0.001 0.000 0.218 274 A C 2.182 179.717 177.584 -0.082 0.000 1.175 274 A CA 1.211 53.209 52.037 -0.064 0.000 0.628 274 A CB -0.722 18.239 19.000 -0.064 0.000 0.814 274 A HN 0.337 nan 8.150 nan 0.000 0.444 275 L N -0.688 120.466 121.223 -0.114 0.000 2.042 275 L HA -0.248 4.093 4.340 0.001 0.000 0.210 275 L C 2.611 179.416 176.870 -0.108 0.000 1.076 275 L CA 1.843 56.616 54.840 -0.111 0.000 0.749 275 L CB -0.444 41.537 42.059 -0.130 0.000 0.893 275 L HN 0.391 nan 8.230 nan 0.000 0.432 276 K N 0.230 120.547 120.400 -0.138 0.000 2.002 276 K HA -0.162 4.159 4.320 0.001 0.000 0.209 276 K C 2.051 178.614 176.600 -0.061 0.000 1.048 276 K CA 1.427 57.649 56.287 -0.108 0.000 0.930 276 K CB -0.287 32.142 32.500 -0.119 0.000 0.714 276 K HN 0.197 nan 8.250 nan 0.000 0.438 277 I N 1.611 122.153 120.570 -0.047 0.000 2.151 277 I HA -0.356 3.815 4.170 0.001 0.000 0.243 277 I C 2.330 178.432 176.117 -0.026 0.000 1.080 277 I CA 1.448 62.734 61.300 -0.023 0.000 1.339 277 I CB -0.471 37.523 38.000 -0.010 0.000 1.039 277 I HN 0.254 nan 8.210 nan 0.000 0.409 278 N N 0.369 119.047 118.700 -0.036 0.000 2.166 278 N HA -0.216 4.525 4.740 0.001 0.000 0.186 278 N C 1.911 177.398 175.510 -0.038 0.000 1.019 278 N CA 1.384 54.411 53.050 -0.037 0.000 0.856 278 N CB 0.019 38.479 38.487 -0.044 0.000 0.993 278 N HN 0.268 nan 8.380 nan 0.000 0.426 279 Q N 0.016 119.790 119.800 -0.043 0.000 2.079 279 Q HA -0.061 4.279 4.340 0.001 0.000 0.200 279 Q C 2.249 178.232 176.000 -0.029 0.000 0.974 279 Q CA 1.005 56.784 55.803 -0.039 0.000 0.840 279 Q CB -0.165 28.547 28.738 -0.043 0.000 0.898 279 Q HN 0.557 nan 8.270 nan 0.000 0.430 280 I N 0.080 120.634 120.570 -0.026 0.000 2.226 280 I HA -0.321 3.849 4.170 0.001 0.000 0.245 280 I C 2.502 178.611 176.117 -0.013 0.000 1.100 280 I CA 0.808 62.098 61.300 -0.016 0.000 1.374 280 I CB -0.344 37.650 38.000 -0.010 0.000 1.057 280 I HN 0.189 nan 8.210 nan 0.000 0.413 281 C N 0.350 119.642 119.300 -0.014 0.000 2.462 281 C HA -0.170 4.291 4.460 0.001 0.000 0.278 281 C C 2.814 177.794 174.990 -0.016 0.000 1.253 281 C CA 1.061 60.073 59.018 -0.011 0.000 1.713 281 C CB -0.977 26.757 27.740 -0.010 0.000 2.049 281 C HN 0.540 nan 8.230 nan 0.000 0.477 282 E N 0.635 120.820 120.200 -0.025 0.000 2.070 282 E HA -0.250 4.101 4.350 0.001 0.000 0.197 282 E C 1.890 178.476 176.600 -0.024 0.000 1.004 282 E CA 2.047 58.428 56.400 -0.031 0.000 0.805 282 E CB -0.175 29.498 29.700 -0.045 0.000 0.744 282 E HN 0.585 nan 8.360 nan 0.000 0.451 283 T N 0.151 114.692 114.554 -0.021 0.000 2.759 283 T HA -0.101 4.249 4.350 0.001 0.000 0.269 283 T C 1.581 176.275 174.700 -0.011 0.000 1.042 283 T CA 1.275 63.366 62.100 -0.016 0.000 1.140 283 T CB -0.163 68.697 68.868 -0.014 0.000 0.864 283 T HN 0.328 nan 8.240 nan 0.000 0.455 284 A N 0.171 122.986 122.820 -0.009 0.000 2.251 284 A HA 0.548 4.869 4.320 0.001 0.000 0.209 284 A C 1.758 179.340 177.584 -0.004 0.000 1.187 284 A CA 0.598 52.632 52.037 -0.004 0.000 0.823 284 A CB -0.628 18.371 19.000 -0.001 0.000 0.846 284 A HN 0.695 nan 8.150 nan 0.000 0.486 285 G N -0.636 108.160 108.800 -0.008 0.000 2.160 285 G HA2 -0.218 3.743 3.960 0.001 0.000 0.244 285 G HA3 -0.218 3.743 3.960 0.001 0.000 0.244 285 G C -0.050 174.847 174.900 -0.004 0.000 1.022 285 G CA 0.382 45.478 45.100 -0.007 0.000 0.741 285 G HN 0.494 nan 8.290 nan 0.000 0.508 286 I N 1.104 121.672 120.570 -0.005 0.000 2.355 286 I HA 0.308 4.479 4.170 0.001 0.000 0.288 286 I C 0.650 176.764 176.117 -0.006 0.000 0.999 286 I CA -0.784 60.515 61.300 -0.001 0.000 1.163 286 I CB 1.109 39.110 38.000 0.003 0.000 1.316 286 I HN 0.153 nan 8.210 nan 0.000 0.454 287 E N 4.448 124.645 120.200 -0.003 0.000 2.369 287 E HA 0.368 4.718 4.350 0.001 0.000 0.255 287 E C -0.965 175.633 176.600 -0.004 0.000 1.172 287 E CA -0.530 55.865 56.400 -0.007 0.000 0.932 287 E CB 1.321 31.019 29.700 -0.002 0.000 1.040 287 E HN 0.490 nan 8.360 nan 0.000 0.454 288 C N 1.124 120.420 119.300 -0.007 0.000 2.634 288 C HA 0.535 4.996 4.460 0.001 0.000 0.313 288 C C -0.247 174.743 174.990 -0.001 0.000 1.198 288 C CA -0.676 58.339 59.018 -0.004 0.000 1.605 288 C CB 1.071 28.804 27.740 -0.012 0.000 2.196 288 C HN 0.723 nan 8.230 nan 0.000 0.486 289 M N 2.913 122.514 119.600 0.001 0.000 2.383 289 M HA 0.685 5.165 4.480 0.001 0.000 0.325 289 M C -1.177 175.120 176.300 -0.006 0.000 1.092 289 M CA -0.533 54.768 55.300 0.003 0.000 0.961 289 M CB 1.174 33.779 32.600 0.008 0.000 1.672 289 M HN 0.743 nan 8.290 nan 0.000 0.438 290 I N 4.280 124.845 120.570 -0.008 0.000 2.342 290 I HA 0.671 4.841 4.170 0.001 0.000 0.291 290 I C -0.010 176.091 176.117 -0.026 0.000 1.010 290 I CA 0.334 61.623 61.300 -0.019 0.000 1.308 290 I CB 1.115 39.104 38.000 -0.018 0.000 1.400 290 I HN 0.759 nan 8.210 nan 0.000 0.488 291 G N 5.620 114.397 108.800 -0.038 0.000 3.075 291 G HA2 0.735 4.695 3.960 0.001 0.000 0.253 291 G HA3 0.735 4.695 3.960 0.001 0.000 0.253 291 G C -1.237 173.621 174.900 -0.070 0.000 1.353 291 G CA -0.128 44.943 45.100 -0.050 0.000 1.051 291 G HN 0.999 nan 8.290 nan 0.000 0.553 292 C N -2.376 116.874 119.300 -0.084 0.000 3.311 292 C HA 0.807 5.268 4.460 0.001 0.000 0.325 292 C C -0.608 174.320 174.990 -0.104 0.000 1.352 292 C CA -1.236 57.721 59.018 -0.101 0.000 1.308 292 C CB 0.914 28.578 27.740 -0.126 0.000 1.619 292 C HN 0.635 nan 8.230 nan 0.000 0.469 293 M N 1.904 121.437 119.600 -0.111 0.000 2.409 293 M HA 0.458 4.938 4.480 0.001 0.000 0.329 293 M C 1.245 177.468 176.300 -0.129 0.000 1.180 293 M CA -0.194 55.039 55.300 -0.111 0.000 1.053 293 M CB 1.390 33.916 32.600 -0.123 0.000 1.586 293 M HN 1.081 nan 8.290 nan 0.000 0.461 294 A N 1.690 124.435 122.820 -0.123 0.000 2.067 294 A HA -0.093 4.228 4.320 0.001 0.000 0.219 294 A C 1.600 179.107 177.584 -0.128 0.000 1.158 294 A CA 1.457 53.405 52.037 -0.148 0.000 0.661 294 A CB -0.413 18.521 19.000 -0.109 0.000 0.801 294 A HN 0.883 nan 8.150 nan 0.000 0.452 295 E N 0.616 120.742 120.200 -0.123 0.000 2.427 295 E HA -0.018 4.333 4.350 0.001 0.000 0.196 295 E C 0.695 177.241 176.600 -0.090 0.000 1.028 295 E CA 0.656 56.992 56.400 -0.105 0.000 0.864 295 E CB 0.030 29.658 29.700 -0.120 0.000 0.813 295 E HN 0.908 nan 8.360 nan 0.000 0.514 296 E N 0.116 120.258 120.200 -0.098 0.000 2.312 296 E HA 0.372 4.723 4.350 0.001 0.000 0.259 296 E C 0.360 176.911 176.600 -0.082 0.000 1.122 296 E CA -0.436 55.915 56.400 -0.081 0.000 0.922 296 E CB 1.238 30.890 29.700 -0.080 0.000 1.109 296 E HN -0.003 nan 8.360 nan 0.000 0.442 297 T N -2.328 112.188 114.554 -0.063 0.000 2.538 297 T HA 0.200 4.551 4.350 0.001 0.000 0.237 297 T C 1.293 175.962 174.700 -0.053 0.000 0.818 297 T CA 0.099 62.163 62.100 -0.060 0.000 1.193 297 T CB 0.181 69.026 68.868 -0.038 0.000 1.497 297 T HN 0.388 nan 8.240 nan 0.000 0.503 298 T N 1.496 116.027 114.554 -0.039 0.000 2.620 298 T HA -0.128 4.222 4.350 0.001 0.000 0.267 298 T C 1.945 176.630 174.700 -0.025 0.000 1.044 298 T CA 2.232 64.312 62.100 -0.032 0.000 1.161 298 T CB -0.834 68.015 68.868 -0.032 0.000 0.862 298 T HN 0.488 nan 8.240 nan 0.000 0.438 299 I N 1.049 121.606 120.570 -0.021 0.000 2.142 299 I HA -0.102 4.068 4.170 0.001 0.000 0.240 299 I C 3.012 179.130 176.117 0.001 0.000 1.078 299 I CA 1.460 62.758 61.300 -0.004 0.000 1.343 299 I CB -0.958 37.057 38.000 0.024 0.000 1.046 299 I HN 0.342 nan 8.210 nan 0.000 0.405 300 G N 1.432 110.225 108.800 -0.012 0.000 2.440 300 G HA2 -0.193 3.767 3.960 0.001 0.000 0.218 300 G HA3 -0.193 3.767 3.960 0.001 0.000 0.218 300 G C 1.613 176.497 174.900 -0.026 0.000 1.154 300 G CA 0.490 45.577 45.100 -0.021 0.000 0.767 300 G HN 0.183 nan 8.290 nan 0.000 0.552 301 I N 1.416 121.962 120.570 -0.040 0.000 2.252 301 I HA -0.100 4.070 4.170 0.001 0.000 0.245 301 I C 2.901 179.018 176.117 0.000 0.000 1.102 301 I CA 1.449 62.721 61.300 -0.048 0.000 1.385 301 I CB -1.488 36.459 38.000 -0.088 0.000 1.064 301 I HN 0.117 nan 8.210 nan 0.000 0.414 302 T N 1.420 115.992 114.554 0.030 0.000 2.746 302 T HA -0.106 4.245 4.350 0.001 0.000 0.267 302 T C 2.084 176.892 174.700 0.179 0.000 1.039 302 T CA 1.512 63.678 62.100 0.110 0.000 1.142 302 T CB -0.300 68.629 68.868 0.101 0.000 0.866 302 T HN 0.434 nan 8.240 nan 0.000 0.444 303 A N 1.609 124.477 122.820 0.080 0.000 1.877 303 A HA 0.118 4.439 4.320 0.001 0.000 0.216 303 A C 2.678 180.299 177.584 0.061 0.000 1.186 303 A CA 1.913 53.980 52.037 0.050 0.000 0.620 303 A CB -1.209 17.794 19.000 0.004 0.000 0.822 303 A HN 0.509 nan 8.150 nan 0.000 0.443 304 A N -0.220 122.616 122.820 0.028 0.000 1.940 304 A HA 0.123 4.444 4.320 0.001 0.000 0.219 304 A C 2.479 180.079 177.584 0.027 0.000 1.176 304 A CA 2.188 54.229 52.037 0.007 0.000 0.631 304 A CB -0.963 18.024 19.000 -0.021 0.000 0.814 304 A HN 1.100 nan 8.150 nan 0.000 0.446 305 A N -1.494 121.353 122.820 0.044 0.000 1.930 305 A HA -0.159 4.162 4.320 0.001 0.000 0.217 305 A C 2.039 179.625 177.584 0.004 0.000 1.175 305 A CA 1.422 53.463 52.037 0.008 0.000 0.627 305 A CB -0.856 18.134 19.000 -0.017 0.000 0.815 305 A HN 0.701 nan 8.150 nan 0.000 0.443 306 H N -1.357 117.734 119.070 0.034 0.000 2.395 306 H HA -0.076 4.480 4.556 0.000 0.000 0.299 306 H C 2.107 177.475 175.328 0.068 0.000 1.070 306 H CA 1.691 57.795 56.048 0.094 0.000 1.356 306 H CB -0.071 29.756 29.762 0.108 0.000 1.401 306 H HN 0.453 nan 8.280 nan 0.000 0.524 307 L N 1.082 122.381 121.223 0.127 0.000 2.027 307 L HA -0.054 4.286 4.340 0.001 0.000 0.206 307 L C 2.564 179.456 176.870 0.036 0.000 1.074 307 L CA 1.821 56.686 54.840 0.041 0.000 0.745 307 L CB -0.787 41.257 42.059 -0.025 0.000 0.898 307 L HN 0.120 nan 8.230 nan 0.000 0.433 308 A N -0.314 122.520 122.820 0.024 0.000 1.877 308 A HA -0.090 4.231 4.320 0.001 0.000 0.216 308 A C 2.465 180.066 177.584 0.029 0.000 1.186 308 A CA 1.891 53.937 52.037 0.015 0.000 0.620 308 A CB -1.263 17.738 19.000 0.002 0.000 0.822 308 A HN 0.594 nan 8.150 nan 0.000 0.443 309 A N -0.163 122.663 122.820 0.009 0.000 1.902 309 A HA 0.138 4.459 4.320 0.001 0.000 0.217 309 A C 2.491 180.123 177.584 0.081 0.000 1.181 309 A CA 2.179 54.207 52.037 -0.015 0.000 0.623 309 A CB -0.998 17.906 19.000 -0.161 0.000 0.818 309 A HN 1.092 nan 8.150 nan 0.000 0.443 310 A N -1.654 121.244 122.820 0.129 0.000 1.969 310 A HA -0.002 4.319 4.320 0.001 0.000 0.218 310 A C 1.226 178.903 177.584 0.156 0.000 1.169 310 A CA 0.771 52.921 52.037 0.189 0.000 0.635 310 A CB -0.115 19.000 19.000 0.192 0.000 0.810 310 A HN 0.478 nan 8.150 nan 0.000 0.445 311 Q N -0.357 119.491 119.800 0.080 0.000 2.314 311 Q HA 0.196 4.537 4.340 0.001 0.000 0.259 311 Q C 0.540 176.484 176.000 -0.093 0.000 0.951 311 Q CA -0.194 55.603 55.803 -0.010 0.000 0.909 311 Q CB 1.746 30.469 28.738 -0.025 0.000 1.236 311 Q HN 0.586 nan 8.270 nan 0.000 0.444 312 K N 3.066 123.255 120.400 -0.352 0.000 2.063 312 K HA -0.215 4.106 4.320 0.001 0.000 0.208 312 K C 1.068 177.509 176.600 -0.265 0.000 1.048 312 K CA 1.791 57.692 56.287 -0.643 0.000 0.928 312 K CB 0.240 32.093 32.500 -1.078 0.000 0.713 312 K HN 0.381 nan 8.250 nan 0.000 0.442 313 N N 0.458 119.051 118.700 -0.178 0.000 2.515 313 N HA 0.006 4.746 4.740 0.001 0.000 0.185 313 N C -0.219 175.260 175.510 -0.052 0.000 1.109 313 N CA 0.236 53.228 53.050 -0.097 0.000 0.903 313 N CB 0.116 38.554 38.487 -0.081 0.000 0.969 313 N HN 0.178 nan 8.380 nan 0.000 0.450 314 I N 1.216 121.761 120.570 -0.043 0.000 2.241 314 I HA 0.064 4.235 4.170 0.001 0.000 0.294 314 I C 0.930 177.049 176.117 0.003 0.000 1.145 314 I CA -0.157 61.133 61.300 -0.016 0.000 1.261 314 I CB 0.456 38.450 38.000 -0.011 0.000 1.475 314 I HN 0.153 nan 8.210 nan 0.000 0.533 315 T N 1.785 116.343 114.554 0.006 0.000 3.107 315 T HA 0.243 4.594 4.350 0.001 0.000 0.249 315 T C 0.837 175.554 174.700 0.028 0.000 1.096 315 T CA 0.038 62.152 62.100 0.023 0.000 1.012 315 T CB 0.167 69.047 68.868 0.020 0.000 0.977 315 T HN 0.416 nan 8.240 nan 0.000 0.527 316 R N -0.035 120.479 120.500 0.023 0.000 2.771 316 R HA 0.792 5.133 4.340 0.001 0.000 0.274 316 R C -1.629 174.685 176.300 0.024 0.000 0.987 316 R CA -0.858 55.259 56.100 0.028 0.000 0.908 316 R CB 2.341 32.659 30.300 0.029 0.000 1.213 316 R HN 0.228 nan 8.270 nan 0.000 0.468 317 A N 0.889 123.729 122.820 0.033 0.000 2.455 317 A HA 0.431 4.752 4.320 0.001 0.000 0.300 317 A C -1.544 176.061 177.584 0.035 0.000 1.040 317 A CA -0.552 51.501 52.037 0.025 0.000 0.697 317 A CB 1.693 20.708 19.000 0.025 0.000 1.265 317 A HN 0.682 nan 8.150 nan 0.000 0.407 318 D N 2.457 122.862 120.400 0.008 0.000 2.613 318 D HA 0.380 5.020 4.640 0.001 0.000 0.312 318 D C -1.163 175.105 176.300 -0.055 0.000 1.202 318 D CA 0.055 54.053 54.000 -0.003 0.000 0.825 318 D CB -0.070 40.725 40.800 -0.009 0.000 1.113 318 D HN 0.342 nan 8.370 nan 0.000 0.502 319 L N 2.519 123.703 121.223 -0.065 0.000 2.504 319 L HA 0.387 4.728 4.340 0.001 0.000 0.249 319 L C 0.012 176.673 176.870 -0.347 0.000 1.120 319 L CA -0.395 54.353 54.840 -0.153 0.000 0.997 319 L CB 0.862 42.864 42.059 -0.096 0.000 1.349 319 L HN 0.139 nan 8.230 nan 0.000 0.439 320 D N 0.043 120.170 120.400 -0.456 0.000 2.513 320 D HA 0.083 4.723 4.640 0.001 0.000 0.222 320 D C 1.395 177.228 176.300 -0.777 0.000 1.210 320 D CA -0.030 53.407 54.000 -0.938 0.000 0.825 320 D CB 0.693 41.279 40.800 -0.357 0.000 1.037 320 D HN 0.241 nan 8.370 nan 0.000 0.506 321 A N 0.940 123.457 122.820 -0.505 0.000 2.070 321 A HA -0.115 4.205 4.320 0.001 0.000 0.220 321 A C 2.209 179.622 177.584 -0.286 0.000 1.159 321 A CA 1.971 53.799 52.037 -0.349 0.000 0.656 321 A CB -0.898 17.956 19.000 -0.244 0.000 0.800 321 A HN 0.395 nan 8.150 nan 0.000 0.453 322 T N -3.838 110.506 114.554 -0.349 0.000 3.067 322 T HA 0.017 4.368 4.350 0.001 0.000 0.261 322 T C 1.357 176.093 174.700 0.060 0.000 1.110 322 T CA 0.708 62.728 62.100 -0.134 0.000 1.113 322 T CB -0.531 68.295 68.868 -0.070 0.000 0.917 322 T HN 0.207 nan 8.240 nan 0.000 0.499 323 F N 2.356 122.296 119.950 -0.017 0.000 2.365 323 F HA 0.310 4.837 4.527 0.001 0.000 0.300 323 F C 2.462 178.263 175.800 0.002 0.000 1.090 323 F CA 0.017 58.021 58.000 0.007 0.000 1.408 323 F CB -1.186 37.821 39.000 0.012 0.000 1.060 323 F HN 0.419 nan 8.300 nan 0.000 0.534 324 G N -0.281 108.596 108.800 0.128 0.000 3.088 324 G HA2 0.206 4.167 3.960 0.001 0.000 0.217 324 G HA3 0.206 4.167 3.960 0.001 0.000 0.217 324 G C 0.602 175.538 174.900 0.059 0.000 1.159 324 G CA -0.232 44.920 45.100 0.087 0.000 0.760 324 G HN 0.100 nan 8.290 nan 0.000 0.550 325 L N 0.924 122.174 121.223 0.046 0.000 2.416 325 L HA 0.202 4.543 4.340 0.001 0.000 0.272 325 L C 1.345 178.240 176.870 0.042 0.000 1.161 325 L CA -0.580 54.278 54.840 0.031 0.000 0.845 325 L CB 0.980 43.049 42.059 0.016 0.000 1.119 325 L HN 0.029 nan 8.230 nan 0.000 0.464 326 E N 0.868 121.088 120.200 0.033 0.000 2.208 326 E HA -0.046 4.304 4.350 0.001 0.000 0.193 326 E C 0.594 177.211 176.600 0.028 0.000 0.988 326 E CA 0.748 57.168 56.400 0.032 0.000 0.828 326 E CB 0.370 30.086 29.700 0.027 0.000 0.763 326 E HN 0.694 nan 8.360 nan 0.000 0.478 327 T N -1.363 113.204 114.554 0.023 0.000 2.853 327 T HA 0.548 4.899 4.350 0.001 0.000 0.311 327 T C -1.798 172.911 174.700 0.016 0.000 1.307 327 T CA -0.364 61.748 62.100 0.020 0.000 1.019 327 T CB 1.528 70.405 68.868 0.016 0.000 1.264 327 T HN -0.037 nan 8.240 nan 0.000 0.497 328 A N 3.803 126.631 122.820 0.014 0.000 2.309 328 A HA 0.601 4.921 4.320 0.001 0.000 0.290 328 A C -1.096 176.489 177.584 0.003 0.000 1.206 328 A CA -1.229 50.812 52.037 0.007 0.000 0.850 328 A CB 0.250 19.253 19.000 0.005 0.000 1.118 328 A HN 0.740 nan 8.150 nan 0.000 0.523 329 P HA 0.028 nan 4.420 nan 0.000 0.229 329 P C 0.340 177.640 177.300 -0.000 0.000 1.160 329 P CA 0.860 63.962 63.100 0.004 0.000 0.777 329 P CB 0.249 31.951 31.700 0.003 0.000 0.814 330 V N -1.462 118.436 119.914 -0.027 0.000 3.182 330 V HA 0.427 4.547 4.120 0.001 0.000 0.308 330 V C -1.019 175.033 176.094 -0.070 0.000 1.240 330 V CA -0.620 61.639 62.300 -0.069 0.000 1.063 330 V CB 2.263 33.994 31.823 -0.154 0.000 1.076 330 V HN -0.165 nan 8.190 nan 0.000 0.446 331 T N 2.071 116.562 114.554 -0.104 0.000 2.829 331 T HA 0.724 5.074 4.350 0.001 0.000 0.282 331 T C 0.066 174.710 174.700 -0.095 0.000 0.990 331 T CA 0.703 62.759 62.100 -0.073 0.000 1.028 331 T CB 0.818 69.657 68.868 -0.048 0.000 0.951 331 T HN 1.825 nan 8.240 nan 0.000 0.460 332 G N 1.735 110.505 108.800 -0.050 0.000 2.681 332 G HA2 0.344 4.304 3.960 0.001 0.000 0.220 332 G HA3 0.344 4.304 3.960 0.001 0.000 0.220 332 G C 0.305 175.189 174.900 -0.028 0.000 1.353 332 G CA -0.304 44.774 45.100 -0.036 0.000 0.872 332 G HN 1.875 nan 8.290 nan 0.000 0.557 333 G N -2.514 106.286 108.800 -0.001 0.000 2.645 333 G HA2 0.176 4.136 3.960 0.001 0.000 0.239 333 G HA3 0.176 4.136 3.960 0.001 0.000 0.239 333 G C 0.333 175.255 174.900 0.037 0.000 1.331 333 G CA 0.465 45.582 45.100 0.027 0.000 0.890 333 G HN 2.075 nan 8.290 nan 0.000 0.572 334 V N 1.260 121.199 119.914 0.041 0.000 2.529 334 V HA 0.424 4.544 4.120 0.001 0.000 0.292 334 V C 1.482 177.607 176.094 0.052 0.000 1.028 334 V CA 0.887 63.214 62.300 0.045 0.000 1.074 334 V CB 0.912 32.757 31.823 0.036 0.000 0.958 334 V HN 1.340 nan 8.190 nan 0.000 0.481 335 S N 4.177 119.920 115.700 0.072 0.000 2.589 335 S HA 0.198 4.669 4.470 0.001 0.000 0.265 335 S C 0.794 175.478 174.600 0.140 0.000 1.342 335 S CA -0.369 57.881 58.200 0.083 0.000 1.005 335 S CB 0.560 63.802 63.200 0.070 0.000 0.909 335 S HN 0.497 nan 8.310 nan 0.000 0.555 336 L N 1.540 122.839 121.223 0.126 0.000 2.558 336 L HA 0.328 4.669 4.340 0.001 0.000 0.225 336 L C 1.243 178.247 176.870 0.223 0.000 1.128 336 L CA 0.430 55.379 54.840 0.182 0.000 0.868 336 L CB -0.740 41.385 42.059 0.110 0.000 1.006 336 L HN 0.774 nan 8.230 nan 0.000 0.454 337 E N 1.570 121.849 120.200 0.132 0.000 2.480 337 E HA 0.133 4.483 4.350 0.001 0.000 0.258 337 E C 0.131 176.677 176.600 -0.090 0.000 0.984 337 E CA -0.148 56.272 56.400 0.035 0.000 0.930 337 E CB 0.707 30.410 29.700 0.005 0.000 0.936 337 E HN 0.251 nan 8.360 nan 0.000 0.466 338 A N 6.125 128.782 122.820 -0.272 0.000 2.457 338 A HA 0.207 4.528 4.320 0.001 0.000 0.298 338 A C -0.497 176.813 177.584 -0.456 0.000 1.288 338 A CA -0.070 51.482 52.037 -0.809 0.000 0.956 338 A CB -0.239 18.505 19.000 -0.427 0.000 1.135 338 A HN 0.629 nan 8.150 nan 0.000 0.535 339 K N 2.622 122.685 120.400 -0.562 0.000 2.532 339 K HA 0.576 4.896 4.320 0.001 0.000 0.265 339 K C -2.926 173.352 176.600 -0.536 0.000 0.948 339 K CA -1.683 54.305 56.287 -0.498 0.000 0.842 339 K CB 2.159 34.498 32.500 -0.268 0.000 1.392 339 K HN 0.131 nan 8.250 nan 0.000 0.436 340 P HA -0.083 nan 4.420 nan 0.000 0.221 340 P C 0.247 177.459 177.300 -0.147 0.000 1.155 340 P CA 0.446 63.227 63.100 -0.531 0.000 0.812 340 P CB 0.269 31.552 31.700 -0.695 0.000 0.801 341 L N 1.364 122.484 121.223 -0.171 0.000 2.278 341 L HA 0.242 4.582 4.340 0.001 0.000 0.287 341 L C -0.298 176.551 176.870 -0.036 0.000 1.072 341 L CA -0.293 54.495 54.840 -0.088 0.000 0.819 341 L CB -0.129 41.868 42.059 -0.103 0.000 1.176 341 L HN -0.168 nan 8.230 nan 0.000 0.435 342 L N 6.002 127.215 121.223 -0.017 0.000 2.297 342 L HA 0.436 4.776 4.340 0.001 0.000 0.277 342 L C -0.110 176.721 176.870 -0.065 0.000 1.040 342 L CA -0.360 54.475 54.840 -0.008 0.000 0.867 342 L CB 0.668 42.735 42.059 0.012 0.000 1.244 342 L HN 0.598 nan 8.230 nan 0.000 0.433 343 E N 4.225 124.386 120.200 -0.065 0.000 2.227 343 E HA 0.474 4.825 4.350 0.001 0.000 0.282 343 E C -0.847 175.694 176.600 -0.098 0.000 1.015 343 E CA -0.597 55.745 56.400 -0.097 0.000 0.823 343 E CB 2.065 31.722 29.700 -0.072 0.000 1.081 343 E HN 0.446 nan 8.360 nan 0.000 0.396 344 L N 2.229 123.350 121.223 -0.170 0.000 2.307 344 L HA 0.441 4.782 4.340 0.001 0.000 0.282 344 L C 0.862 177.734 176.870 0.002 0.000 1.051 344 L CA -0.640 54.119 54.840 -0.134 0.000 0.804 344 L CB 1.219 43.058 42.059 -0.366 0.000 1.197 344 L HN 0.599 nan 8.230 nan 0.000 0.431 345 G N 0.678 109.537 108.800 0.098 0.000 2.525 345 G HA2 0.197 4.158 3.960 0.001 0.000 0.287 345 G HA3 0.197 4.158 3.960 0.001 0.000 0.287 345 G C 0.366 175.388 174.900 0.203 0.000 1.350 345 G CA -0.311 44.861 45.100 0.119 0.000 1.039 345 G HN 0.638 nan 8.290 nan 0.000 0.513 346 E N -0.202 120.082 120.200 0.139 0.000 2.489 346 E HA 0.154 4.505 4.350 0.001 0.000 0.193 346 E C 1.407 178.058 176.600 0.085 0.000 1.057 346 E CA -0.066 56.406 56.400 0.120 0.000 0.866 346 E CB 0.217 29.966 29.700 0.081 0.000 0.916 346 E HN 0.459 nan 8.360 nan 0.000 0.500 347 A N 1.491 124.367 122.820 0.093 0.000 2.540 347 A HA 0.317 4.638 4.320 0.001 0.000 0.239 347 A C 0.555 178.171 177.584 0.053 0.000 1.061 347 A CA 0.353 52.429 52.037 0.065 0.000 0.758 347 A CB 0.216 19.255 19.000 0.065 0.000 0.991 347 A HN 0.170 nan 8.150 nan 0.000 0.502 348 A N 2.344 125.178 122.820 0.024 0.000 2.445 348 A HA 0.565 4.885 4.320 0.001 0.000 0.242 348 A C 1.555 179.130 177.584 -0.015 0.000 1.075 348 A CA 0.815 52.853 52.037 0.002 0.000 0.777 348 A CB -0.665 18.338 19.000 0.005 0.000 1.013 348 A HN 2.913 nan 8.150 nan 0.000 0.493 349 G N 0.134 108.904 108.800 -0.049 0.000 2.556 349 G HA2 -0.271 3.690 3.960 0.001 0.000 0.283 349 G HA3 -0.271 3.690 3.960 0.001 0.000 0.283 349 G C 0.724 175.510 174.900 -0.190 0.000 1.177 349 G CA 0.564 45.608 45.100 -0.093 0.000 0.978 349 G HN 1.156 nan 8.290 nan 0.000 0.554 350 L N 1.911 123.048 121.223 -0.144 0.000 2.477 350 L HA 0.404 4.744 4.340 0.001 0.000 0.220 350 L C 2.320 179.183 176.870 -0.011 0.000 1.106 350 L CA 0.946 55.691 54.840 -0.158 0.000 0.851 350 L CB -0.215 41.793 42.059 -0.085 0.000 0.994 350 L HN 2.027 nan 8.230 nan 0.000 0.462 351 G N 1.347 110.145 108.800 -0.004 0.000 2.160 351 G HA2 -0.278 3.683 3.960 0.001 0.000 0.251 351 G HA3 -0.278 3.683 3.960 0.001 0.000 0.251 351 G C 0.110 174.989 174.900 -0.035 0.000 1.008 351 G CA 0.045 45.153 45.100 0.012 0.000 0.724 351 G HN 0.290 nan 8.290 nan 0.000 0.514 352 I N 0.950 121.465 120.570 -0.091 0.000 2.525 352 I HA 0.656 4.826 4.170 0.001 0.000 0.301 352 I C 0.695 176.563 176.117 -0.416 0.000 0.992 352 I CA -0.141 61.012 61.300 -0.245 0.000 1.162 352 I CB 1.995 39.811 38.000 -0.305 0.000 1.332 352 I HN 0.392 nan 8.210 nan 0.000 0.458 353 S N 2.402 117.801 115.700 -0.502 0.000 2.671 353 S HA 0.494 4.965 4.470 0.001 0.000 0.277 353 S C -0.484 173.856 174.600 -0.433 0.000 1.165 353 S CA -0.981 56.934 58.200 -0.475 0.000 0.822 353 S CB 1.032 64.150 63.200 -0.136 0.000 1.150 353 S HN 0.623 nan 8.310 nan 0.000 0.479 354 H N 0.000 119.046 119.070 -0.039 0.000 2.539 354 H HA 0.000 4.557 4.556 0.001 0.000 0.296 354 H CA 0.000 56.065 56.048 0.028 0.000 1.023 354 H CB 0.000 29.825 29.762 0.105 0.000 1.292 354 H HN 0.000 nan 8.280 nan 0.000 0.496