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 1wyu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDYTPHTEEE IREMLRRVGA ASLEDLFAHL PKEILSPPID LPEPLPEWKV DATA SEQUENCE LEELRRLAAQ NLPAHKAFLG GGVRSHHVPP VVQALAARGE FLTAYTPYQP DATA SEQUENCE EVSQGVLQAT FEYQTMIAEL AGLEIANASM YDGATALAEG VLLALRETGR DATA SEQUENCE MGVLVSQGVH PEYRAVLRAY LEAVGAKLLT LPLEGGRTPL PEVGEEVGAV DATA SEQUENCE VVQNPNFLGA LEDLGPFAEA AHGAGALFVA VADPLSLGVL KPPGAYGADI DATA SEQUENCE AVGDGQSLGL PMGFGGPHFG FLATKKAFVR QLPGRLVSET VDVEGRRGFI DATA SEQUENCE LTLQAREQYI RRAKAKSNIT TNAQLTALMG AMYLAALGPE GLREVALKSV DATA SEQUENCE EMAHKLHALL LEVPGVRPFT PKPFFNEFAL ALPKDPEAVR RALAERGFHG DATA SEQUENCE ATPVPREYGE NLALFAATEL HEEEDLLALR EALKEVL 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 0.000 176.170 176.300 -0.217 0.000 1.140 1 M CA 0.000 55.203 55.300 -0.161 0.000 0.988 1 M CB 0.000 32.484 32.600 -0.193 0.000 1.302 2 D N -0.977 119.220 120.400 -0.338 0.000 2.769 2 D HA 0.318 4.958 4.640 -0.000 0.000 0.309 2 D C -1.374 174.591 176.300 -0.558 0.000 1.315 2 D CA -0.269 53.497 54.000 -0.390 0.000 0.780 2 D CB 0.893 41.621 40.800 -0.120 0.000 1.312 2 D HN 0.616 nan 8.370 nan 0.000 0.437 3 Y N -0.168 120.148 120.300 0.026 0.000 2.612 3 Y HA 0.205 4.755 4.550 -0.000 0.000 0.250 3 Y C 0.934 176.868 175.900 0.056 0.000 1.175 3 Y CA -0.170 57.951 58.100 0.035 0.000 1.205 3 Y CB 0.686 39.163 38.460 0.028 0.000 1.201 3 Y HN 0.388 nan 8.280 nan 0.000 0.532 4 T N -0.752 113.898 114.554 0.160 0.000 2.884 4 T HA 0.143 4.493 4.350 -0.000 0.000 0.298 4 T C -1.240 173.577 174.700 0.195 0.000 0.998 4 T CA -1.429 60.798 62.100 0.211 0.000 1.124 4 T CB 1.629 70.610 68.868 0.187 0.000 0.931 4 T HN 0.081 nan 8.240 nan 0.000 0.531 5 P HA 0.040 nan 4.420 nan 0.000 0.230 5 P C -0.133 177.187 177.300 0.034 0.000 1.168 5 P CA 0.219 63.348 63.100 0.048 0.000 0.793 5 P CB -0.129 31.540 31.700 -0.052 0.000 0.851 6 H N 1.574 120.658 119.070 0.022 0.000 3.125 6 H HA 0.131 4.687 4.556 -0.000 0.000 0.310 6 H C 1.185 176.521 175.328 0.013 0.000 0.980 6 H CA 0.508 56.567 56.048 0.017 0.000 1.422 6 H CB -0.396 29.377 29.762 0.019 0.000 1.432 6 H HN 0.136 nan 8.280 nan 0.000 0.577 7 T N -0.605 114.013 114.554 0.105 0.000 2.881 7 T HA 0.114 4.464 4.350 -0.000 0.000 0.278 7 T C 1.355 176.098 174.700 0.072 0.000 0.982 7 T CA -0.914 61.226 62.100 0.066 0.000 0.989 7 T CB 1.533 70.422 68.868 0.035 0.000 1.058 7 T HN 0.606 nan 8.240 nan 0.000 0.529 8 E N 0.660 120.888 120.200 0.048 0.000 2.110 8 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 8 E C 2.012 178.634 176.600 0.038 0.000 0.988 8 E CA 1.580 58.004 56.400 0.040 0.000 0.804 8 E CB -0.266 29.450 29.700 0.026 0.000 0.745 8 E HN 0.756 nan 8.360 nan 0.000 0.458 9 E N 0.683 120.902 120.200 0.032 0.000 2.106 9 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 9 E C 1.888 178.508 176.600 0.033 0.000 0.984 9 E CA 1.229 57.645 56.400 0.026 0.000 0.806 9 E CB -0.465 29.246 29.700 0.019 0.000 0.750 9 E HN 0.506 nan 8.360 nan 0.000 0.458 10 E N 0.947 121.174 120.200 0.044 0.000 2.072 10 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 10 E C 2.385 179.032 176.600 0.080 0.000 0.985 10 E CA 0.768 57.200 56.400 0.053 0.000 0.801 10 E CB -0.183 29.547 29.700 0.050 0.000 0.750 10 E HN 0.232 nan 8.360 nan 0.000 0.452 11 I N 0.855 121.482 120.570 0.095 0.000 2.163 11 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 11 I C 2.735 178.879 176.117 0.045 0.000 1.085 11 I CA 1.137 62.483 61.300 0.078 0.000 1.347 11 I CB -0.224 37.807 38.000 0.052 0.000 1.044 11 I HN 0.027 nan 8.210 nan 0.000 0.408 12 R N 0.974 121.496 120.500 0.036 0.000 2.083 12 R HA -0.257 4.083 4.340 -0.000 0.000 0.237 12 R C 2.299 178.612 176.300 0.022 0.000 1.137 12 R CA 2.085 58.200 56.100 0.025 0.000 0.951 12 R CB -0.252 30.061 30.300 0.021 0.000 0.851 12 R HN 0.370 nan 8.270 nan 0.000 0.434 13 E N -0.154 120.061 120.200 0.025 0.000 2.072 13 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 13 E C 1.973 178.585 176.600 0.020 0.000 0.985 13 E CA 1.517 57.929 56.400 0.019 0.000 0.801 13 E CB -0.020 29.691 29.700 0.018 0.000 0.750 13 E HN 0.394 nan 8.360 nan 0.000 0.452 14 M N 0.324 119.943 119.600 0.031 0.000 2.117 14 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 14 M C 2.353 178.662 176.300 0.015 0.000 1.065 14 M CA 1.197 56.515 55.300 0.030 0.000 1.114 14 M CB -0.167 32.468 32.600 0.059 0.000 1.361 14 M HN 0.180 nan 8.290 nan 0.000 0.408 15 L N -0.718 120.514 121.223 0.014 0.000 2.046 15 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 15 L C 2.652 179.521 176.870 -0.001 0.000 1.077 15 L CA 1.212 56.054 54.840 0.003 0.000 0.747 15 L CB -0.518 41.545 42.059 0.008 0.000 0.896 15 L HN 0.215 nan 8.230 nan 0.000 0.432 16 R N -0.116 120.386 120.500 0.003 0.000 2.073 16 R HA -0.182 4.157 4.340 -0.000 0.000 0.234 16 R C 2.392 178.690 176.300 -0.004 0.000 1.134 16 R CA 1.257 57.357 56.100 0.000 0.000 0.952 16 R CB -0.220 30.082 30.300 0.003 0.000 0.850 16 R HN 0.024 nan 8.270 nan 0.000 0.433 17 R N 0.005 120.504 120.500 -0.002 0.000 2.096 17 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 17 R C 1.656 177.948 176.300 -0.013 0.000 1.127 17 R CA 1.730 57.827 56.100 -0.005 0.000 0.968 17 R CB -0.314 29.985 30.300 -0.001 0.000 0.861 17 R HN 0.314 nan 8.270 nan 0.000 0.440 18 V N -3.152 116.751 119.914 -0.017 0.000 3.647 18 V HA 0.403 4.523 4.120 -0.000 0.000 0.279 18 V C 0.986 177.059 176.094 -0.035 0.000 1.314 18 V CA 0.396 62.678 62.300 -0.030 0.000 1.125 18 V CB -0.252 31.547 31.823 -0.039 0.000 0.907 18 V HN 0.365 nan 8.190 nan 0.000 0.434 19 G N 0.144 108.929 108.800 -0.024 0.000 2.221 19 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.265 19 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.265 19 G C 0.192 175.077 174.900 -0.024 0.000 1.041 19 G CA 0.377 45.463 45.100 -0.023 0.000 0.807 19 G HN 1.716 nan 8.290 nan 0.000 0.502 20 A N -0.830 121.978 122.820 -0.021 0.000 2.324 20 A HA 0.951 5.271 4.320 -0.000 0.000 0.330 20 A C 1.149 178.733 177.584 -0.001 0.000 1.165 20 A CA 0.497 52.525 52.037 -0.015 0.000 0.813 20 A CB 1.434 20.419 19.000 -0.024 0.000 1.197 20 A HN 1.641 nan 8.150 nan 0.000 0.484 21 A N 1.335 124.160 122.820 0.007 0.000 2.067 21 A HA 0.427 4.747 4.320 -0.000 0.000 0.217 21 A C 1.113 178.708 177.584 0.018 0.000 1.156 21 A CA 1.534 53.578 52.037 0.012 0.000 0.683 21 A CB -0.429 18.579 19.000 0.015 0.000 0.808 21 A HN 2.021 nan 8.150 nan 0.000 0.455 22 S N -3.494 112.222 115.700 0.026 0.000 2.655 22 S HA 0.447 4.917 4.470 -0.000 0.000 0.266 22 S C 0.105 174.736 174.600 0.051 0.000 1.149 22 S CA -0.431 57.789 58.200 0.034 0.000 0.818 22 S CB -0.035 63.187 63.200 0.037 0.000 1.130 22 S HN -0.025 nan 8.310 nan 0.000 0.476 23 L N 1.977 123.238 121.223 0.064 0.000 2.046 23 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 23 L C 2.827 179.824 176.870 0.212 0.000 1.077 23 L CA 2.641 57.546 54.840 0.108 0.000 0.747 23 L CB -1.513 40.600 42.059 0.090 0.000 0.896 23 L HN 1.026 nan 8.230 nan 0.000 0.432 24 E N -1.240 119.062 120.200 0.170 0.000 2.204 24 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 24 E C 1.602 178.348 176.600 0.243 0.000 0.989 24 E CA 1.307 57.839 56.400 0.220 0.000 0.824 24 E CB -0.395 29.363 29.700 0.097 0.000 0.756 24 E HN 0.418 nan 8.360 nan 0.000 0.477 25 D N 0.694 121.179 120.400 0.141 0.000 2.263 25 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 25 D C 1.798 178.149 176.300 0.084 0.000 0.971 25 D CA 0.679 54.739 54.000 0.100 0.000 0.867 25 D CB -0.034 40.797 40.800 0.051 0.000 0.929 25 D HN 0.288 nan 8.370 nan 0.000 0.492 26 L N -0.912 120.339 121.223 0.046 0.000 2.362 26 L HA -0.069 4.271 4.340 -0.000 0.000 0.219 26 L C 0.926 177.626 176.870 -0.285 0.000 1.134 26 L CA 0.548 55.276 54.840 -0.187 0.000 0.807 26 L CB -0.212 41.617 42.059 -0.383 0.000 0.927 26 L HN 0.073 nan 8.230 nan 0.000 0.447 27 F N -1.507 118.511 119.950 0.113 0.000 2.661 27 F HA 0.319 4.846 4.527 -0.000 0.000 0.306 27 F C 2.022 177.850 175.800 0.046 0.000 1.094 27 F CA 0.084 58.125 58.000 0.067 0.000 1.254 27 F CB -0.441 38.554 39.000 -0.007 0.000 1.040 27 F HN -0.119 nan 8.300 nan 0.000 0.562 28 A N 0.426 123.400 122.820 0.257 0.000 2.024 28 A HA -0.218 4.101 4.320 -0.000 0.000 0.220 28 A C 2.023 179.705 177.584 0.163 0.000 1.164 28 A CA 1.958 54.098 52.037 0.171 0.000 0.643 28 A CB -1.051 18.026 19.000 0.129 0.000 0.806 28 A HN 0.580 nan 8.150 nan 0.000 0.451 29 H N -0.783 118.306 119.070 0.033 0.000 2.547 29 H HA 0.269 4.825 4.556 -0.000 0.000 0.266 29 H C 0.462 175.810 175.328 0.033 0.000 0.988 29 H CA -0.105 55.955 56.048 0.020 0.000 1.147 29 H CB -0.867 28.894 29.762 -0.002 0.000 1.365 29 H HN 0.344 nan 8.280 nan 0.000 0.589 30 L N 3.075 124.135 121.223 -0.272 0.000 2.436 30 L HA 0.224 4.564 4.340 -0.000 0.000 0.265 30 L C -1.813 175.018 176.870 -0.065 0.000 1.168 30 L CA -1.833 52.885 54.840 -0.204 0.000 0.815 30 L CB 0.523 42.503 42.059 -0.131 0.000 1.109 30 L HN 0.050 nan 8.230 nan 0.000 0.462 31 P HA 0.028 nan 4.420 nan 0.000 0.263 31 P C -0.362 176.929 177.300 -0.015 0.000 1.195 31 P CA -0.240 62.848 63.100 -0.020 0.000 0.762 31 P CB 0.702 32.392 31.700 -0.018 0.000 0.799 32 K N 2.704 123.101 120.400 -0.005 0.000 2.113 32 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 32 K C 1.844 178.438 176.600 -0.010 0.000 1.047 32 K CA 1.708 57.993 56.287 -0.003 0.000 0.928 32 K CB -0.449 32.052 32.500 0.002 0.000 0.716 32 K HN 0.586 nan 8.250 nan 0.000 0.446 33 E N 0.967 121.161 120.200 -0.011 0.000 2.338 33 E HA -0.155 4.195 4.350 -0.000 0.000 0.197 33 E C 1.632 178.221 176.600 -0.018 0.000 1.007 33 E CA 1.170 57.562 56.400 -0.013 0.000 0.849 33 E CB -0.375 29.319 29.700 -0.010 0.000 0.774 33 E HN 0.661 nan 8.360 nan 0.000 0.506 34 I N -2.079 118.477 120.570 -0.022 0.000 3.956 34 I HA 0.229 4.399 4.170 -0.000 0.000 0.333 34 I C 0.783 176.877 176.117 -0.039 0.000 1.302 34 I CA -0.437 60.846 61.300 -0.028 0.000 1.122 34 I CB 0.077 38.061 38.000 -0.027 0.000 1.013 34 I HN -0.169 nan 8.210 nan 0.000 0.405 35 L N 1.312 122.513 121.223 -0.037 0.000 2.466 35 L HA 0.260 4.599 4.340 -0.000 0.000 0.257 35 L C 0.991 177.828 176.870 -0.054 0.000 1.189 35 L CA -0.257 54.551 54.840 -0.052 0.000 0.813 35 L CB 0.723 42.761 42.059 -0.035 0.000 1.118 35 L HN 0.256 nan 8.230 nan 0.000 0.471 36 S N -0.049 115.608 115.700 -0.072 0.000 3.631 36 S HA -0.098 4.372 4.470 -0.000 0.000 0.366 36 S C -1.935 172.633 174.600 -0.054 0.000 0.993 36 S CA -0.220 57.943 58.200 -0.063 0.000 1.167 36 S CB -1.837 61.337 63.200 -0.044 0.000 0.909 36 S HN 0.538 nan 8.310 nan 0.000 0.478 37 P HA 0.305 nan 4.420 nan 0.000 0.272 37 P C -2.512 174.761 177.300 -0.045 0.000 1.223 37 P CA -1.216 61.855 63.100 -0.048 0.000 0.784 37 P CB -0.015 31.654 31.700 -0.052 0.000 0.923 38 P HA 0.353 nan 4.420 nan 0.000 0.266 38 P C -0.502 176.779 177.300 -0.032 0.000 1.586 38 P CA 0.038 63.119 63.100 -0.032 0.000 1.088 38 P CB 0.033 31.718 31.700 -0.025 0.000 1.584 39 I N 2.600 123.149 120.570 -0.036 0.000 2.321 39 I HA 0.205 4.375 4.170 -0.000 0.000 0.291 39 I C 0.303 176.402 176.117 -0.031 0.000 0.998 39 I CA -0.495 60.785 61.300 -0.034 0.000 1.227 39 I CB 1.374 39.350 38.000 -0.041 0.000 1.368 39 I HN 0.169 nan 8.210 nan 0.000 0.466 40 D N 7.464 127.848 120.400 -0.026 0.000 2.373 40 D HA 0.548 5.188 4.640 -0.000 0.000 0.227 40 D C -1.248 175.037 176.300 -0.024 0.000 1.091 40 D CA -0.136 53.849 54.000 -0.024 0.000 0.840 40 D CB 0.850 41.638 40.800 -0.021 0.000 1.060 40 D HN 0.116 nan 8.370 nan 0.000 0.502 41 L N 4.678 125.886 121.223 -0.026 0.000 2.409 41 L HA 0.562 4.902 4.340 -0.000 0.000 0.262 41 L C -1.995 174.858 176.870 -0.028 0.000 0.992 41 L CA -1.851 52.973 54.840 -0.026 0.000 0.817 41 L CB 1.735 43.778 42.059 -0.028 0.000 1.350 41 L HN 0.403 nan 8.230 nan 0.000 0.411 42 P HA 0.160 nan 4.420 nan 0.000 0.269 42 P C -0.644 176.633 177.300 -0.038 0.000 1.215 42 P CA -0.477 62.603 63.100 -0.033 0.000 0.780 42 P CB 0.569 32.248 31.700 -0.035 0.000 0.898 43 E N 2.103 122.279 120.200 -0.040 0.000 2.415 43 E HA 0.104 4.454 4.350 -0.000 0.000 0.262 43 E C -1.653 174.913 176.600 -0.057 0.000 1.038 43 E CA -1.154 55.219 56.400 -0.044 0.000 0.921 43 E CB -0.595 29.081 29.700 -0.040 0.000 0.950 43 E HN 0.429 nan 8.360 nan 0.000 0.438 44 P HA 0.103 nan 4.420 nan 0.000 0.267 44 P C -0.498 176.739 177.300 -0.105 0.000 1.200 44 P CA 0.248 63.302 63.100 -0.076 0.000 0.772 44 P CB 0.597 32.255 31.700 -0.069 0.000 0.855 45 L N 3.031 124.171 121.223 -0.138 0.000 2.401 45 L HA 0.466 4.806 4.340 -0.000 0.000 0.266 45 L C -2.197 174.514 176.870 -0.265 0.000 0.991 45 L CA -2.464 52.245 54.840 -0.218 0.000 0.818 45 L CB 2.469 44.382 42.059 -0.243 0.000 1.321 45 L HN 0.269 nan 8.230 nan 0.000 0.413 46 P HA 0.047 nan 4.420 nan 0.000 0.272 46 P C 0.138 177.187 177.300 -0.419 0.000 1.230 46 P CA -0.347 62.540 63.100 -0.355 0.000 0.788 46 P CB 0.669 32.156 31.700 -0.354 0.000 0.949 47 E N 1.944 122.031 120.200 -0.188 0.000 2.130 47 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 47 E C 1.737 178.298 176.600 -0.065 0.000 0.998 47 E CA 1.334 57.686 56.400 -0.079 0.000 0.806 47 E CB -0.920 28.808 29.700 0.047 0.000 0.738 47 E HN 0.647 nan 8.360 nan 0.000 0.459 48 W N 1.937 123.243 121.300 0.010 0.000 2.402 48 W HA 0.051 4.711 4.660 -0.000 0.000 0.286 48 W C 1.709 178.232 176.519 0.006 0.000 1.221 48 W CA 0.903 58.253 57.345 0.009 0.000 1.257 48 W CB -0.514 28.949 29.460 0.005 0.000 1.120 48 W HN 0.008 nan 8.180 nan 0.000 0.551 49 K N 1.655 121.497 120.400 -0.931 0.000 2.116 49 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 49 K C 1.970 178.378 176.600 -0.320 0.000 1.052 49 K CA 1.674 57.483 56.287 -0.797 0.000 0.952 49 K CB -0.748 31.032 32.500 -1.201 0.000 0.729 49 K HN 0.025 nan 8.250 nan 0.000 0.446 50 V N 1.126 120.876 119.914 -0.274 0.000 2.343 50 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 50 V C 2.298 178.355 176.094 -0.062 0.000 1.051 50 V CA 1.713 63.931 62.300 -0.135 0.000 1.036 50 V CB -0.382 31.383 31.823 -0.097 0.000 0.654 50 V HN 0.278 nan 8.190 nan 0.000 0.451 51 L N -0.217 120.991 121.223 -0.026 0.000 2.046 51 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 51 L C 2.621 179.511 176.870 0.034 0.000 1.077 51 L CA 2.027 56.882 54.840 0.024 0.000 0.747 51 L CB -0.463 41.637 42.059 0.069 0.000 0.896 51 L HN 0.458 nan 8.230 nan 0.000 0.432 52 E N -0.055 120.175 120.200 0.051 0.000 2.085 52 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 52 E C 1.992 178.606 176.600 0.023 0.000 0.994 52 E CA 1.311 57.752 56.400 0.068 0.000 0.801 52 E CB 0.141 29.915 29.700 0.123 0.000 0.743 52 E HN 0.353 nan 8.360 nan 0.000 0.453 53 E N 0.411 120.603 120.200 -0.013 0.000 2.077 53 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 53 E C 2.150 178.741 176.600 -0.014 0.000 0.989 53 E CA 0.538 56.926 56.400 -0.020 0.000 0.800 53 E CB -0.210 29.464 29.700 -0.044 0.000 0.746 53 E HN 0.312 nan 8.360 nan 0.000 0.452 54 L N 0.627 121.843 121.223 -0.012 0.000 2.046 54 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 54 L C 2.465 179.332 176.870 -0.004 0.000 1.077 54 L CA 1.382 56.217 54.840 -0.010 0.000 0.747 54 L CB -1.066 40.990 42.059 -0.004 0.000 0.896 54 L HN 0.072 nan 8.230 nan 0.000 0.432 55 R N -0.325 120.180 120.500 0.008 0.000 2.091 55 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 55 R C 2.443 178.746 176.300 0.005 0.000 1.136 55 R CA 1.327 57.434 56.100 0.012 0.000 0.959 55 R CB -0.103 30.212 30.300 0.026 0.000 0.856 55 R HN 0.277 nan 8.270 nan 0.000 0.437 56 R N -0.165 120.338 120.500 0.005 0.000 2.081 56 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 56 R C 2.280 178.575 176.300 -0.009 0.000 1.131 56 R CA 1.490 57.591 56.100 0.001 0.000 0.960 56 R CB -0.430 29.871 30.300 0.002 0.000 0.856 56 R HN 0.240 nan 8.270 nan 0.000 0.436 57 L N 0.007 121.221 121.223 -0.016 0.000 2.056 57 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 57 L C 2.685 179.534 176.870 -0.035 0.000 1.078 57 L CA 1.218 56.040 54.840 -0.029 0.000 0.749 57 L CB -0.560 41.478 42.059 -0.036 0.000 0.901 57 L HN 0.243 nan 8.230 nan 0.000 0.433 58 A N -0.011 122.792 122.820 -0.028 0.000 1.930 58 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 58 A C 2.480 180.053 177.584 -0.017 0.000 1.175 58 A CA 1.495 53.516 52.037 -0.027 0.000 0.627 58 A CB -0.627 18.364 19.000 -0.015 0.000 0.815 58 A HN 0.395 nan 8.150 nan 0.000 0.443 59 A N -0.773 122.041 122.820 -0.010 0.000 2.070 59 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 59 A C 2.010 179.590 177.584 -0.006 0.000 1.159 59 A CA 1.511 53.545 52.037 -0.004 0.000 0.656 59 A CB -0.444 18.556 19.000 0.000 0.000 0.800 59 A HN 0.674 nan 8.150 nan 0.000 0.453 60 Q N -0.036 119.756 119.800 -0.014 0.000 2.311 60 Q HA -0.016 4.324 4.340 -0.000 0.000 0.203 60 Q C -0.177 175.815 176.000 -0.014 0.000 0.954 60 Q CA 0.234 56.028 55.803 -0.015 0.000 0.885 60 Q CB 0.025 28.749 28.738 -0.023 0.000 0.963 60 Q HN 0.614 nan 8.270 nan 0.000 0.471 61 N N 0.659 119.347 118.700 -0.019 0.000 2.508 61 N HA 0.210 4.950 4.740 -0.000 0.000 0.285 61 N C -0.959 174.569 175.510 0.030 0.000 1.144 61 N CA -0.224 52.821 53.050 -0.009 0.000 0.978 61 N CB 1.292 39.751 38.487 -0.047 0.000 1.180 61 N HN 0.090 nan 8.380 nan 0.000 0.484 62 L N 3.133 124.405 121.223 0.081 0.000 2.255 62 L HA 0.351 4.691 4.340 -0.000 0.000 0.289 62 L C -1.957 175.054 176.870 0.234 0.000 1.046 62 L CA -1.582 53.332 54.840 0.123 0.000 0.816 62 L CB 0.903 43.022 42.059 0.101 0.000 1.197 62 L HN 0.310 nan 8.230 nan 0.000 0.427 63 P HA -0.015 nan 4.420 nan 0.000 0.266 63 P C -0.347 177.096 177.300 0.239 0.000 1.193 63 P CA -0.157 63.031 63.100 0.146 0.000 0.770 63 P CB 1.115 32.873 31.700 0.096 0.000 0.836 64 A N 1.555 124.440 122.820 0.109 0.000 2.460 64 A HA 0.035 4.355 4.320 -0.000 0.000 0.258 64 A C 0.906 178.533 177.584 0.071 0.000 1.300 64 A CA -0.131 51.921 52.037 0.025 0.000 0.913 64 A CB -0.917 17.952 19.000 -0.218 0.000 1.031 64 A HN 0.700 nan 8.150 nan 0.000 0.512 65 H N 1.556 120.647 119.070 0.035 0.000 2.964 65 H HA 0.069 4.625 4.556 -0.000 0.000 0.328 65 H C 0.069 175.386 175.328 -0.018 0.000 1.030 65 H CA 1.213 57.260 56.048 -0.001 0.000 1.445 65 H CB 0.197 29.964 29.762 0.009 0.000 1.449 65 H HN 0.449 nan 8.280 nan 0.000 0.581 66 K N 1.126 121.230 120.400 -0.495 0.000 3.339 66 K HA -0.180 4.140 4.320 -0.000 0.000 0.299 66 K C 0.048 176.547 176.600 -0.168 0.000 1.270 66 K CA 0.460 56.529 56.287 -0.364 0.000 0.875 66 K CB -1.425 30.992 32.500 -0.138 0.000 1.298 66 K HN 0.710 nan 8.250 nan 0.000 0.485 67 A N 0.068 122.814 122.820 -0.124 0.000 2.448 67 A HA 0.394 4.714 4.320 -0.000 0.000 0.239 67 A C 0.464 177.966 177.584 -0.135 0.000 1.080 67 A CA 0.293 52.320 52.037 -0.017 0.000 0.779 67 A CB -0.005 19.007 19.000 0.019 0.000 1.026 67 A HN 0.269 nan 8.150 nan 0.000 0.499 68 F N 0.085 120.146 119.950 0.185 0.000 2.647 68 F HA 0.275 4.802 4.527 -0.000 0.000 0.300 68 F C 0.236 176.053 175.800 0.030 0.000 1.106 68 F CA -0.035 58.036 58.000 0.118 0.000 1.313 68 F CB -0.110 38.968 39.000 0.130 0.000 1.007 68 F HN 0.262 nan 8.300 nan 0.000 0.536 69 L N -0.157 121.132 121.223 0.110 0.000 2.397 69 L HA 0.543 4.883 4.340 -0.000 0.000 0.271 69 L C 0.979 177.818 176.870 -0.053 0.000 1.148 69 L CA -0.104 54.727 54.840 -0.016 0.000 0.825 69 L CB 0.533 42.580 42.059 -0.019 0.000 1.117 69 L HN 0.220 nan 8.230 nan 0.000 0.456 70 G N -0.430 108.299 108.800 -0.118 0.000 3.247 70 G HA2 0.554 4.514 3.960 -0.000 0.000 0.226 70 G HA3 0.554 4.514 3.960 -0.000 0.000 0.226 70 G C 0.220 175.064 174.900 -0.092 0.000 1.220 70 G CA -0.291 44.743 45.100 -0.109 0.000 0.875 70 G HN 0.908 nan 8.290 nan 0.000 0.606 71 G N -2.059 106.676 108.800 -0.108 0.000 2.164 71 G HA2 0.354 4.313 3.960 -0.000 0.000 0.212 71 G HA3 0.354 4.313 3.960 -0.000 0.000 0.212 71 G C 1.298 176.349 174.900 0.251 0.000 1.031 71 G CA 0.969 46.086 45.100 0.028 0.000 0.730 71 G HN 2.525 nan 8.290 nan 0.000 0.501 72 G N -2.946 105.932 108.800 0.130 0.000 2.307 72 G HA2 0.085 4.045 3.960 -0.000 0.000 0.210 72 G HA3 0.085 4.045 3.960 -0.000 0.000 0.210 72 G C 0.224 175.136 174.900 0.020 0.000 1.005 72 G CA 0.403 45.560 45.100 0.096 0.000 0.634 72 G HN 1.671 nan 8.290 nan 0.000 0.496 73 V N 1.489 121.411 119.914 0.013 0.000 2.638 73 V HA 0.827 4.946 4.120 -0.000 0.000 0.306 73 V C 0.037 176.118 176.094 -0.020 0.000 1.052 73 V CA -0.799 61.483 62.300 -0.030 0.000 0.885 73 V CB 1.771 33.580 31.823 -0.024 0.000 0.999 73 V HN 0.452 nan 8.190 nan 0.000 0.424 74 R N 1.607 122.096 120.500 -0.019 0.000 2.808 74 R HA 0.531 4.871 4.340 -0.000 0.000 0.272 74 R C -0.589 175.616 176.300 -0.159 0.000 0.995 74 R CA -0.752 55.293 56.100 -0.093 0.000 0.917 74 R CB 2.074 32.295 30.300 -0.132 0.000 1.217 74 R HN 0.606 nan 8.270 nan 0.000 0.471 75 S N 1.716 117.259 115.700 -0.263 0.000 3.036 75 S HA 0.140 4.610 4.470 -0.000 0.000 0.301 75 S C -0.377 173.986 174.600 -0.395 0.000 1.205 75 S CA -0.409 57.622 58.200 -0.282 0.000 0.999 75 S CB -0.403 62.607 63.200 -0.317 0.000 1.337 75 S HN 0.372 nan 8.310 nan 0.000 0.515 76 H N 2.090 121.084 119.070 -0.127 0.000 2.508 76 H HA 0.200 4.756 4.556 -0.000 0.000 0.344 76 H C 0.045 175.363 175.328 -0.016 0.000 1.192 76 H CA -0.469 55.535 56.048 -0.073 0.000 1.290 76 H CB 0.754 30.485 29.762 -0.052 0.000 1.571 76 H HN 0.667 nan 8.280 nan 0.000 0.555 77 H N 0.753 119.892 119.070 0.115 0.000 2.929 77 H HA 0.113 4.669 4.556 -0.000 0.000 0.317 77 H C -0.851 174.566 175.328 0.148 0.000 1.031 77 H CA -0.121 55.996 56.048 0.115 0.000 1.466 77 H CB 0.098 29.936 29.762 0.128 0.000 1.482 77 H HN 0.113 nan 8.280 nan 0.000 0.561 78 V N 9.674 129.371 119.914 -0.362 0.000 2.320 78 V HA 0.211 4.331 4.120 -0.000 0.000 0.265 78 V C -1.950 173.819 176.094 -0.542 0.000 1.048 78 V CA -1.629 60.494 62.300 -0.294 0.000 0.865 78 V CB 0.643 32.411 31.823 -0.092 0.000 1.043 78 V HN 0.845 nan 8.190 nan 0.000 0.474 79 P HA 0.143 nan 4.420 nan 0.000 0.266 79 P C -2.011 175.266 177.300 -0.038 0.000 1.215 79 P CA -1.304 61.675 63.100 -0.201 0.000 0.763 79 P CB 0.889 32.611 31.700 0.037 0.000 0.806 80 P HA -0.151 nan 4.420 nan 0.000 0.219 80 P C 1.521 178.847 177.300 0.043 0.000 1.146 80 P CA 0.673 63.796 63.100 0.038 0.000 0.808 80 P CB 0.072 31.810 31.700 0.063 0.000 0.779 81 V N -0.001 119.944 119.914 0.052 0.000 2.427 81 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 81 V C 2.455 178.574 176.094 0.042 0.000 1.051 81 V CA 1.641 63.969 62.300 0.047 0.000 1.048 81 V CB -0.775 31.076 31.823 0.046 0.000 0.666 81 V HN -0.090 nan 8.190 nan 0.000 0.456 82 V N -0.053 119.887 119.914 0.044 0.000 2.307 82 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 82 V C 2.632 178.743 176.094 0.027 0.000 1.045 82 V CA 2.030 64.354 62.300 0.040 0.000 1.024 82 V CB -0.738 31.129 31.823 0.074 0.000 0.651 82 V HN 0.516 nan 8.190 nan 0.000 0.449 83 Q N -0.100 119.716 119.800 0.027 0.000 2.170 83 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 83 Q C 2.377 178.398 176.000 0.036 0.000 0.976 83 Q CA 1.763 57.582 55.803 0.026 0.000 0.858 83 Q CB -0.621 28.130 28.738 0.022 0.000 0.907 83 Q HN 0.661 nan 8.270 nan 0.000 0.433 84 A N 0.661 123.506 122.820 0.041 0.000 1.898 84 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 84 A C 2.231 179.856 177.584 0.068 0.000 1.181 84 A CA 0.869 52.936 52.037 0.050 0.000 0.620 84 A CB -0.597 18.431 19.000 0.047 0.000 0.819 84 A HN 0.301 nan 8.150 nan 0.000 0.442 85 L N -0.838 120.427 121.223 0.069 0.000 2.093 85 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 85 L C 2.897 179.850 176.870 0.139 0.000 1.085 85 L CA 1.037 55.941 54.840 0.107 0.000 0.755 85 L CB -0.442 41.659 42.059 0.070 0.000 0.904 85 L HN 0.419 nan 8.230 nan 0.000 0.435 86 A N -0.340 122.510 122.820 0.050 0.000 2.167 86 A HA 0.123 4.442 4.320 -0.000 0.000 0.214 86 A C 2.275 179.918 177.584 0.098 0.000 1.151 86 A CA 1.104 53.156 52.037 0.024 0.000 0.735 86 A CB -0.384 18.592 19.000 -0.040 0.000 0.802 86 A HN 0.366 nan 8.150 nan 0.000 0.467 87 A N -0.423 122.455 122.820 0.097 0.000 2.178 87 A HA 0.146 4.465 4.320 -0.000 0.000 0.211 87 A C 1.056 178.697 177.584 0.095 0.000 1.157 87 A CA -0.336 51.750 52.037 0.081 0.000 0.780 87 A CB -0.111 18.923 19.000 0.056 0.000 0.828 87 A HN 0.325 nan 8.150 nan 0.000 0.476 88 R N 0.201 120.788 120.500 0.144 0.000 2.504 88 R HA 0.005 4.345 4.340 -0.000 0.000 0.291 88 R C 1.483 177.813 176.300 0.049 0.000 0.974 88 R CA 0.566 56.720 56.100 0.089 0.000 1.077 88 R CB -0.115 30.243 30.300 0.096 0.000 0.926 88 R HN 0.313 nan 8.270 nan 0.000 0.407 89 G N 3.141 111.941 108.800 -0.000 0.000 2.469 89 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.220 89 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.220 89 G C 1.018 175.895 174.900 -0.037 0.000 1.136 89 G CA 0.647 45.741 45.100 -0.010 0.000 0.759 89 G HN 0.570 nan 8.290 nan 0.000 0.562 90 E N 0.080 120.205 120.200 -0.124 0.000 2.077 90 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 90 E C 2.065 178.579 176.600 -0.144 0.000 0.989 90 E CA 0.896 57.181 56.400 -0.191 0.000 0.800 90 E CB -0.308 29.185 29.700 -0.345 0.000 0.746 90 E HN 0.493 nan 8.360 nan 0.000 0.452 91 F N -0.139 119.801 119.950 -0.017 0.000 2.187 91 F HA 0.014 4.541 4.527 -0.000 0.000 0.295 91 F C 2.023 177.807 175.800 -0.028 0.000 1.091 91 F CA 0.337 58.320 58.000 -0.029 0.000 1.308 91 F CB -0.680 38.300 39.000 -0.033 0.000 1.030 91 F HN 0.036 nan 8.300 nan 0.000 0.487 92 L N 0.126 121.455 121.223 0.177 0.000 2.046 92 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 92 L C 2.281 179.186 176.870 0.058 0.000 1.077 92 L CA 2.412 57.307 54.840 0.093 0.000 0.747 92 L CB -1.106 40.993 42.059 0.067 0.000 0.896 92 L HN 0.307 nan 8.230 nan 0.000 0.432 93 T N -3.074 111.507 114.554 0.044 0.000 3.105 93 T HA 0.515 4.865 4.350 -0.000 0.000 0.253 93 T C 0.750 175.479 174.700 0.049 0.000 1.047 93 T CA 0.063 62.183 62.100 0.034 0.000 0.944 93 T CB -0.386 68.488 68.868 0.011 0.000 1.016 93 T HN 0.340 nan 8.240 nan 0.000 0.544 94 A N 1.014 123.867 122.820 0.055 0.000 2.346 94 A HA 0.594 4.913 4.320 -0.000 0.000 0.252 94 A C -0.375 177.279 177.584 0.116 0.000 1.089 94 A CA -0.624 51.453 52.037 0.067 0.000 0.797 94 A CB 0.190 19.214 19.000 0.041 0.000 1.047 94 A HN 0.532 nan 8.150 nan 0.000 0.494 95 Y N 0.025 120.314 120.300 -0.019 0.000 2.618 95 Y HA 0.464 5.014 4.550 -0.000 0.000 0.326 95 Y C 0.857 176.705 175.900 -0.087 0.000 1.168 95 Y CA -0.492 57.591 58.100 -0.028 0.000 1.269 95 Y CB 0.688 39.149 38.460 0.002 0.000 1.388 95 Y HN 0.702 nan 8.280 nan 0.000 0.528 96 T N 5.903 119.753 114.554 -1.173 0.000 2.891 96 T HA 0.038 4.387 4.350 -0.000 0.000 0.296 96 T C -2.444 171.810 174.700 -0.743 0.000 1.025 96 T CA -0.313 61.175 62.100 -1.020 0.000 1.149 96 T CB -0.128 67.882 68.868 -1.430 0.000 1.007 96 T HN 0.375 nan 8.240 nan 0.000 0.528 97 P HA 0.082 nan 4.420 nan 0.000 0.241 97 P C -0.191 176.966 177.300 -0.239 0.000 1.760 97 P CA -0.080 62.861 63.100 -0.264 0.000 1.081 97 P CB -0.130 31.483 31.700 -0.144 0.000 1.975 98 Y N 0.006 120.304 120.300 -0.003 0.000 2.475 98 Y HA 0.026 4.576 4.550 -0.000 0.000 0.289 98 Y C 1.669 177.576 175.900 0.012 0.000 1.121 98 Y CA 0.821 58.922 58.100 0.001 0.000 1.257 98 Y CB -0.015 38.452 38.460 0.011 0.000 1.026 98 Y HN 0.218 nan 8.280 nan 0.000 0.555 99 Q N 1.760 121.651 119.800 0.152 0.000 2.636 99 Q HA 0.184 4.524 4.340 -0.000 0.000 0.233 99 Q C -1.811 174.227 176.000 0.063 0.000 1.143 99 Q CA -1.928 53.933 55.803 0.096 0.000 0.969 99 Q CB 0.812 29.601 28.738 0.084 0.000 1.185 99 Q HN 0.235 nan 8.270 nan 0.000 0.546 100 P HA -0.208 nan 4.420 nan 0.000 0.217 100 P C 0.395 177.717 177.300 0.038 0.000 1.148 100 P CA 1.262 64.390 63.100 0.047 0.000 0.828 100 P CB 0.619 32.348 31.700 0.049 0.000 0.783 101 E N 0.063 120.281 120.200 0.030 0.000 2.171 101 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 101 E C 1.775 178.386 176.600 0.019 0.000 0.997 101 E CA 1.623 58.035 56.400 0.020 0.000 0.810 101 E CB -0.745 28.964 29.700 0.015 0.000 0.738 101 E HN 0.335 nan 8.360 nan 0.000 0.467 102 V N -3.560 116.366 119.914 0.021 0.000 3.427 102 V HA 0.306 4.426 4.120 -0.000 0.000 0.305 102 V C 0.720 176.821 176.094 0.012 0.000 1.412 102 V CA -0.034 62.274 62.300 0.013 0.000 1.086 102 V CB 0.769 32.599 31.823 0.012 0.000 0.964 102 V HN -0.007 nan 8.190 nan 0.000 0.439 103 S N 0.639 116.353 115.700 0.022 0.000 2.741 103 S HA 0.262 4.732 4.470 -0.000 0.000 0.247 103 S C 1.236 175.861 174.600 0.042 0.000 1.050 103 S CA -0.372 57.841 58.200 0.020 0.000 1.025 103 S CB 0.413 63.620 63.200 0.011 0.000 0.897 103 S HN 0.451 nan 8.310 nan 0.000 0.508 104 Q N 1.166 120.999 119.800 0.055 0.000 2.291 104 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 104 Q C 2.107 178.161 176.000 0.090 0.000 0.976 104 Q CA 1.302 57.164 55.803 0.099 0.000 0.875 104 Q CB -0.603 28.197 28.738 0.104 0.000 0.927 104 Q HN 0.641 nan 8.270 nan 0.000 0.450 105 G N 0.196 109.033 108.800 0.061 0.000 2.433 105 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 105 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 105 G C 1.592 176.601 174.900 0.182 0.000 1.186 105 G CA 0.892 46.047 45.100 0.092 0.000 0.779 105 G HN 0.279 nan 8.290 nan 0.000 0.543 106 V N 0.630 120.637 119.914 0.155 0.000 2.358 106 V HA -0.070 4.050 4.120 -0.000 0.000 0.246 106 V C 2.839 178.957 176.094 0.039 0.000 1.047 106 V CA 0.957 63.340 62.300 0.138 0.000 1.035 106 V CB -0.340 31.531 31.823 0.079 0.000 0.658 106 V HN 0.183 nan 8.190 nan 0.000 0.452 107 L N -0.131 121.114 121.223 0.037 0.000 2.017 107 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 107 L C 2.496 179.325 176.870 -0.068 0.000 1.073 107 L CA 2.044 56.905 54.840 0.035 0.000 0.745 107 L CB -1.339 40.789 42.059 0.116 0.000 0.894 107 L HN 0.442 nan 8.230 nan 0.000 0.432 108 Q N -1.132 118.570 119.800 -0.163 0.000 2.079 108 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 108 Q C 2.142 177.992 176.000 -0.250 0.000 0.974 108 Q CA 1.576 57.049 55.803 -0.549 0.000 0.840 108 Q CB 0.038 28.553 28.738 -0.372 0.000 0.898 108 Q HN 0.487 nan 8.270 nan 0.000 0.430 109 A N -0.038 122.729 122.820 -0.087 0.000 1.940 109 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 109 A C 2.153 179.702 177.584 -0.058 0.000 1.176 109 A CA 1.951 53.948 52.037 -0.067 0.000 0.631 109 A CB -0.818 18.136 19.000 -0.076 0.000 0.814 109 A HN 0.472 nan 8.150 nan 0.000 0.446 110 T N -1.152 113.378 114.554 -0.041 0.000 2.857 110 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 110 T C 1.583 176.331 174.700 0.080 0.000 1.048 110 T CA 1.270 63.379 62.100 0.015 0.000 1.139 110 T CB -0.348 68.516 68.868 -0.006 0.000 0.874 110 T HN 0.489 nan 8.240 nan 0.000 0.455 111 F N 2.353 122.209 119.950 -0.157 0.000 2.134 111 F HA -0.101 4.425 4.527 -0.000 0.000 0.299 111 F C 2.202 177.918 175.800 -0.141 0.000 1.097 111 F CA 1.410 59.308 58.000 -0.169 0.000 1.264 111 F CB -0.252 38.490 39.000 -0.430 0.000 1.001 111 F HN 0.181 nan 8.300 nan 0.000 0.479 112 E N -1.052 119.105 120.200 -0.071 0.000 2.110 112 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 112 E C 2.019 178.531 176.600 -0.147 0.000 0.988 112 E CA 1.529 57.853 56.400 -0.126 0.000 0.804 112 E CB -0.673 29.000 29.700 -0.044 0.000 0.745 112 E HN 0.665 nan 8.360 nan 0.000 0.458 113 Y N 2.149 122.337 120.300 -0.188 0.000 2.145 113 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 113 Y C 2.157 177.944 175.900 -0.187 0.000 1.145 113 Y CA 1.875 59.864 58.100 -0.185 0.000 1.148 113 Y CB -0.233 38.105 38.460 -0.203 0.000 0.981 113 Y HN -0.039 nan 8.280 nan 0.000 0.507 114 Q N -0.419 119.163 119.800 -0.364 0.000 2.077 114 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 114 Q C 2.167 177.892 176.000 -0.457 0.000 0.989 114 Q CA 2.508 58.050 55.803 -0.436 0.000 0.853 114 Q CB -0.423 28.182 28.738 -0.222 0.000 0.907 114 Q HN 0.479 nan 8.270 nan 0.000 0.418 115 T N 0.976 115.252 114.554 -0.464 0.000 2.684 115 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 115 T C 1.826 176.342 174.700 -0.307 0.000 1.036 115 T CA 1.376 63.239 62.100 -0.395 0.000 1.148 115 T CB -0.162 68.459 68.868 -0.412 0.000 0.863 115 T HN 0.246 nan 8.240 nan 0.000 0.436 116 M N 0.179 119.593 119.600 -0.310 0.000 2.175 116 M HA -0.026 4.454 4.480 -0.000 0.000 0.264 116 M C 2.129 178.241 176.300 -0.312 0.000 1.063 116 M CA 1.229 56.377 55.300 -0.254 0.000 1.119 116 M CB -0.372 32.113 32.600 -0.191 0.000 1.377 116 M HN 0.165 nan 8.290 nan 0.000 0.415 117 I N 0.456 120.743 120.570 -0.471 0.000 2.252 117 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 117 I C 2.726 178.616 176.117 -0.378 0.000 1.102 117 I CA 1.463 62.453 61.300 -0.516 0.000 1.385 117 I CB -1.457 36.145 38.000 -0.662 0.000 1.064 117 I HN 0.202 nan 8.210 nan 0.000 0.414 118 A N 0.345 122.988 122.820 -0.295 0.000 1.883 118 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 118 A C 2.228 179.719 177.584 -0.155 0.000 1.186 118 A CA 1.477 53.403 52.037 -0.186 0.000 0.624 118 A CB -0.480 18.422 19.000 -0.164 0.000 0.822 118 A HN 0.332 nan 8.150 nan 0.000 0.444 119 E N -0.490 119.610 120.200 -0.167 0.000 2.038 119 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 119 E C 2.001 178.531 176.600 -0.116 0.000 1.000 119 E CA 1.167 57.493 56.400 -0.124 0.000 0.803 119 E CB -0.592 29.036 29.700 -0.121 0.000 0.750 119 E HN 0.440 nan 8.360 nan 0.000 0.448 120 L N 0.778 121.905 121.223 -0.159 0.000 2.042 120 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 120 L C 2.169 178.963 176.870 -0.127 0.000 1.076 120 L CA 2.113 56.862 54.840 -0.151 0.000 0.749 120 L CB -0.801 41.123 42.059 -0.225 0.000 0.893 120 L HN 0.082 nan 8.230 nan 0.000 0.432 121 A N -1.502 121.223 122.820 -0.158 0.000 2.167 121 A HA 0.283 4.603 4.320 -0.000 0.000 0.214 121 A C 1.749 179.333 177.584 -0.000 0.000 1.151 121 A CA 0.861 52.859 52.037 -0.064 0.000 0.735 121 A CB -0.857 18.114 19.000 -0.049 0.000 0.802 121 A HN 0.765 nan 8.150 nan 0.000 0.467 122 G N -1.695 107.090 108.800 -0.025 0.000 2.143 122 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.248 122 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.248 122 G C 0.131 175.036 174.900 0.008 0.000 0.991 122 G CA 0.670 45.769 45.100 -0.002 0.000 0.689 122 G HN 0.451 nan 8.290 nan 0.000 0.522 123 L N -1.517 119.702 121.223 -0.007 0.000 2.491 123 L HA 0.629 4.969 4.340 -0.000 0.000 0.264 123 L C 1.587 178.439 176.870 -0.029 0.000 1.053 123 L CA -0.856 53.985 54.840 0.003 0.000 0.858 123 L CB 0.657 42.734 42.059 0.030 0.000 1.519 123 L HN 0.133 nan 8.230 nan 0.000 0.508 124 E N 0.169 120.353 120.200 -0.027 0.000 2.290 124 E HA 0.192 4.542 4.350 -0.000 0.000 0.197 124 E C -0.209 176.359 176.600 -0.053 0.000 0.948 124 E CA 0.332 56.706 56.400 -0.044 0.000 0.895 124 E CB 0.876 30.549 29.700 -0.046 0.000 0.865 124 E HN 0.458 nan 8.360 nan 0.000 0.486 125 I N -2.849 117.699 120.570 -0.036 0.000 3.191 125 I HA 0.828 4.997 4.170 -0.000 0.000 0.313 125 I C -1.544 174.557 176.117 -0.027 0.000 1.193 125 I CA -1.485 59.792 61.300 -0.039 0.000 0.968 125 I CB 2.441 40.438 38.000 -0.005 0.000 1.262 125 I HN -0.161 nan 8.210 nan 0.000 0.456 126 A N 2.152 124.951 122.820 -0.034 0.000 2.589 126 A HA 0.636 4.956 4.320 -0.000 0.000 0.296 126 A C -1.184 176.419 177.584 0.032 0.000 1.062 126 A CA -0.731 51.304 52.037 -0.004 0.000 0.686 126 A CB 1.430 20.377 19.000 -0.088 0.000 1.282 126 A HN 0.962 nan 8.150 nan 0.000 0.404 127 N N 0.814 119.566 118.700 0.087 0.000 2.364 127 N HA 0.487 5.227 4.740 -0.000 0.000 0.264 127 N C 0.973 176.594 175.510 0.185 0.000 1.263 127 N CA 0.084 53.196 53.050 0.103 0.000 0.959 127 N CB 0.539 39.072 38.487 0.077 0.000 1.204 127 N HN 0.908 nan 8.380 nan 0.000 0.550 128 A N -1.102 121.802 122.820 0.141 0.000 2.216 128 A HA 0.232 4.552 4.320 -0.000 0.000 0.214 128 A C 0.079 177.686 177.584 0.038 0.000 1.160 128 A CA 0.923 53.036 52.037 0.127 0.000 0.725 128 A CB -1.439 17.567 19.000 0.011 0.000 0.784 128 A HN 1.589 nan 8.150 nan 0.000 0.472 129 S N -3.310 112.463 115.700 0.120 0.000 2.779 129 S HA 0.168 4.638 4.470 -0.000 0.000 0.257 129 S C -0.935 173.686 174.600 0.036 0.000 0.634 129 S CA -0.683 57.578 58.200 0.102 0.000 1.183 129 S CB -0.556 62.580 63.200 -0.107 0.000 1.457 129 S HN 0.312 nan 8.310 nan 0.000 0.535 130 M N 1.315 120.953 119.600 0.063 0.000 2.821 130 M HA 0.480 4.960 4.480 -0.000 0.000 0.304 130 M C 0.595 176.896 176.300 0.001 0.000 1.233 130 M CA -0.780 54.462 55.300 -0.097 0.000 0.851 130 M CB 0.309 32.840 32.600 -0.114 0.000 1.723 130 M HN 0.882 nan 8.290 nan 0.000 0.493 131 Y N 0.963 121.261 120.300 -0.003 0.000 2.128 131 Y HA -0.162 4.387 4.550 -0.000 0.000 0.284 131 Y C 1.214 177.100 175.900 -0.024 0.000 1.154 131 Y CA 0.977 59.072 58.100 -0.009 0.000 1.149 131 Y CB -0.379 38.063 38.460 -0.029 0.000 0.976 131 Y HN 0.651 nan 8.280 nan 0.000 0.505 132 D N -4.081 116.361 120.400 0.070 0.000 2.779 132 D HA 0.178 4.818 4.640 -0.000 0.000 0.331 132 D C 1.259 177.420 176.300 -0.233 0.000 1.331 132 D CA 0.019 53.980 54.000 -0.065 0.000 0.866 132 D CB 0.518 41.274 40.800 -0.074 0.000 1.409 132 D HN 0.071 nan 8.370 nan 0.000 0.486 133 G N -0.049 108.550 108.800 -0.335 0.000 2.418 133 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.217 133 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.217 133 G C 1.403 175.776 174.900 -0.879 0.000 1.158 133 G CA 2.029 46.832 45.100 -0.495 0.000 0.771 133 G HN 0.731 nan 8.290 nan 0.000 0.545 134 A N 0.891 122.999 122.820 -1.187 0.000 1.858 134 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 134 A C 2.671 179.893 177.584 -0.602 0.000 1.190 134 A CA 2.979 54.360 52.037 -1.093 0.000 0.617 134 A CB -1.224 17.318 19.000 -0.764 0.000 0.827 134 A HN 0.570 nan 8.150 nan 0.000 0.443 135 T N -2.414 111.876 114.554 -0.441 0.000 2.995 135 T HA 0.208 4.558 4.350 -0.000 0.000 0.269 135 T C 1.844 176.301 174.700 -0.405 0.000 1.091 135 T CA 1.375 63.218 62.100 -0.429 0.000 1.128 135 T CB -0.387 68.402 68.868 -0.132 0.000 0.891 135 T HN 0.541 nan 8.240 nan 0.000 0.492 136 A N 1.601 124.210 122.820 -0.351 0.000 1.898 136 A HA 0.164 4.484 4.320 -0.000 0.000 0.216 136 A C 2.270 179.678 177.584 -0.292 0.000 1.181 136 A CA 1.425 53.286 52.037 -0.294 0.000 0.620 136 A CB -0.847 17.969 19.000 -0.307 0.000 0.819 136 A HN 0.475 nan 8.150 nan 0.000 0.442 137 L N -0.098 120.927 121.223 -0.330 0.000 2.017 137 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 137 L C 2.649 179.369 176.870 -0.250 0.000 1.073 137 L CA 2.312 57.002 54.840 -0.250 0.000 0.745 137 L CB -0.932 41.010 42.059 -0.196 0.000 0.894 137 L HN 0.333 nan 8.230 nan 0.000 0.432 138 A N -0.623 121.979 122.820 -0.363 0.000 1.873 138 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 138 A C 2.161 179.584 177.584 -0.269 0.000 1.193 138 A CA 1.934 53.730 52.037 -0.401 0.000 0.629 138 A CB -0.739 17.688 19.000 -0.956 0.000 0.826 138 A HN 0.588 nan 8.150 nan 0.000 0.447 139 E N -0.621 119.409 120.200 -0.282 0.000 2.110 139 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 139 E C 2.182 178.720 176.600 -0.104 0.000 0.988 139 E CA 1.159 57.473 56.400 -0.143 0.000 0.804 139 E CB -0.682 28.931 29.700 -0.145 0.000 0.745 139 E HN 0.607 nan 8.360 nan 0.000 0.458 140 G N 0.991 109.714 108.800 -0.130 0.000 2.402 140 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 140 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 140 G C 1.847 176.693 174.900 -0.090 0.000 1.162 140 G CA 0.773 45.813 45.100 -0.099 0.000 0.777 140 G HN 0.166 nan 8.290 nan 0.000 0.539 141 V N 0.956 120.811 119.914 -0.098 0.000 2.358 141 V HA -0.091 4.029 4.120 -0.000 0.000 0.246 141 V C 2.901 178.963 176.094 -0.054 0.000 1.047 141 V CA 1.308 63.563 62.300 -0.075 0.000 1.035 141 V CB -0.409 31.373 31.823 -0.068 0.000 0.658 141 V HN 0.333 nan 8.190 nan 0.000 0.452 142 L N -0.616 120.583 121.223 -0.040 0.000 2.131 142 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 142 L C 2.410 179.262 176.870 -0.029 0.000 1.092 142 L CA 1.426 56.258 54.840 -0.014 0.000 0.759 142 L CB -0.501 41.570 42.059 0.020 0.000 0.903 142 L HN 0.353 nan 8.230 nan 0.000 0.435 143 L N -0.132 121.065 121.223 -0.044 0.000 2.017 143 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 143 L C 2.754 179.564 176.870 -0.099 0.000 1.073 143 L CA 1.597 56.405 54.840 -0.053 0.000 0.745 143 L CB -0.278 41.754 42.059 -0.045 0.000 0.894 143 L HN 0.226 nan 8.230 nan 0.000 0.432 144 A N -0.132 122.620 122.820 -0.113 0.000 1.933 144 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 144 A C 2.157 179.677 177.584 -0.107 0.000 1.175 144 A CA 1.697 53.645 52.037 -0.148 0.000 0.628 144 A CB -0.762 18.172 19.000 -0.109 0.000 0.814 144 A HN 0.534 nan 8.150 nan 0.000 0.444 145 L N -1.408 119.776 121.223 -0.064 0.000 2.109 145 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 145 L C 2.855 179.702 176.870 -0.039 0.000 1.086 145 L CA 1.075 55.891 54.840 -0.040 0.000 0.760 145 L CB -0.481 41.566 42.059 -0.020 0.000 0.910 145 L HN 0.360 nan 8.230 nan 0.000 0.437 146 R N -0.054 120.421 120.500 -0.042 0.000 2.075 146 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 146 R C 2.228 178.501 176.300 -0.044 0.000 1.126 146 R CA 1.312 57.394 56.100 -0.030 0.000 0.963 146 R CB -0.157 30.131 30.300 -0.019 0.000 0.858 146 R HN 0.189 nan 8.270 nan 0.000 0.435 147 E N 0.468 120.613 120.200 -0.090 0.000 2.077 147 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 147 E C 1.745 178.288 176.600 -0.095 0.000 0.989 147 E CA 2.144 58.467 56.400 -0.128 0.000 0.800 147 E CB -0.097 29.406 29.700 -0.328 0.000 0.746 147 E HN 0.373 nan 8.360 nan 0.000 0.452 148 T N -3.753 110.747 114.554 -0.091 0.000 3.067 148 T HA 0.198 4.548 4.350 -0.000 0.000 0.257 148 T C 1.598 176.287 174.700 -0.018 0.000 1.105 148 T CA 0.627 62.700 62.100 -0.045 0.000 1.104 148 T CB -0.170 68.676 68.868 -0.037 0.000 0.925 148 T HN 0.373 nan 8.240 nan 0.000 0.498 149 G N 1.730 110.518 108.800 -0.020 0.000 2.153 149 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 149 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 149 G C 0.107 175.005 174.900 -0.003 0.000 0.994 149 G CA 0.207 45.303 45.100 -0.007 0.000 0.698 149 G HN 0.711 nan 8.290 nan 0.000 0.521 150 R N -1.411 119.086 120.500 -0.005 0.000 2.797 150 R HA 0.783 5.123 4.340 -0.000 0.000 0.251 150 R C 0.916 177.216 176.300 -0.000 0.000 1.107 150 R CA -1.028 55.072 56.100 0.001 0.000 1.084 150 R CB 0.540 30.843 30.300 0.005 0.000 1.205 150 R HN 0.083 nan 8.270 nan 0.000 0.515 151 M N 0.086 119.689 119.600 0.004 0.000 2.300 151 M HA 0.223 4.703 4.480 -0.000 0.000 0.313 151 M C 0.248 176.552 176.300 0.007 0.000 0.988 151 M CA 0.023 55.326 55.300 0.005 0.000 1.012 151 M CB 1.230 33.834 32.600 0.005 0.000 1.586 151 M HN 0.733 nan 8.290 nan 0.000 0.562 152 G N 0.945 109.750 108.800 0.009 0.000 2.367 152 G HA2 0.571 4.531 3.960 -0.000 0.000 0.314 152 G HA3 0.571 4.531 3.960 -0.000 0.000 0.314 152 G C -0.934 173.974 174.900 0.014 0.000 1.130 152 G CA -0.252 44.855 45.100 0.012 0.000 0.864 152 G HN 0.045 nan 8.290 nan 0.000 0.486 153 V N 2.641 122.564 119.914 0.014 0.000 2.686 153 V HA 0.441 4.561 4.120 -0.000 0.000 0.306 153 V C -0.323 175.784 176.094 0.021 0.000 1.065 153 V CA -0.636 61.672 62.300 0.015 0.000 0.894 153 V CB 1.839 33.664 31.823 0.005 0.000 1.004 153 V HN 0.632 nan 8.190 nan 0.000 0.424 154 L N 4.805 126.047 121.223 0.032 0.000 2.305 154 L HA 0.735 5.075 4.340 -0.000 0.000 0.284 154 L C -0.683 176.207 176.870 0.035 0.000 1.013 154 L CA -0.747 54.118 54.840 0.042 0.000 0.819 154 L CB 1.873 43.972 42.059 0.068 0.000 1.227 154 L HN 0.456 nan 8.230 nan 0.000 0.417 155 V N 2.888 122.814 119.914 0.020 0.000 2.588 155 V HA 0.387 4.507 4.120 -0.000 0.000 0.304 155 V C 0.092 176.188 176.094 0.003 0.000 1.042 155 V CA -0.314 61.987 62.300 0.002 0.000 0.877 155 V CB 2.314 34.132 31.823 -0.008 0.000 0.996 155 V HN 0.832 nan 8.190 nan 0.000 0.425 156 S N 4.118 119.809 115.700 -0.015 0.000 2.549 156 S HA 0.073 4.543 4.470 -0.000 0.000 0.283 156 S C 1.002 175.608 174.600 0.009 0.000 1.320 156 S CA 0.666 58.861 58.200 -0.007 0.000 1.058 156 S CB 1.045 64.206 63.200 -0.066 0.000 0.882 156 S HN 0.974 nan 8.310 nan 0.000 0.498 157 Q N 3.399 123.215 119.800 0.027 0.000 2.437 157 Q HA -0.041 4.299 4.340 -0.000 0.000 0.210 157 Q C 1.650 177.738 176.000 0.147 0.000 0.972 157 Q CA 1.274 57.087 55.803 0.016 0.000 0.903 157 Q CB -0.701 28.012 28.738 -0.043 0.000 0.967 157 Q HN 0.986 nan 8.270 nan 0.000 0.486 158 G N 0.182 109.070 108.800 0.146 0.000 2.679 158 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.212 158 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.212 158 G C 0.449 175.421 174.900 0.119 0.000 1.137 158 G CA 0.014 45.224 45.100 0.184 0.000 0.787 158 G HN 0.168 nan 8.290 nan 0.000 0.534 159 V N 1.533 121.476 119.914 0.048 0.000 2.614 159 V HA 0.081 4.201 4.120 -0.000 0.000 0.291 159 V C 0.776 176.841 176.094 -0.048 0.000 1.049 159 V CA -1.212 61.079 62.300 -0.015 0.000 1.038 159 V CB 1.105 32.920 31.823 -0.014 0.000 0.980 159 V HN 0.413 nan 8.190 nan 0.000 0.481 160 H N 8.712 127.612 119.070 -0.283 0.000 3.195 160 H HA -0.036 4.520 4.556 -0.000 0.000 0.302 160 H C -1.351 173.760 175.328 -0.361 0.000 0.950 160 H CA -0.919 54.846 56.048 -0.471 0.000 1.398 160 H CB 1.221 30.614 29.762 -0.614 0.000 1.377 160 H HN 0.424 nan 8.280 nan 0.000 0.572 161 P HA -0.202 nan 4.420 nan 0.000 0.217 161 P C 0.955 178.299 177.300 0.072 0.000 1.151 161 P CA 1.543 64.538 63.100 -0.174 0.000 0.849 161 P CB 0.323 31.840 31.700 -0.305 0.000 0.787 162 E N -1.478 118.923 120.200 0.335 0.000 2.107 162 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 162 E C 2.182 178.895 176.600 0.187 0.000 0.982 162 E CA 0.821 57.344 56.400 0.206 0.000 0.809 162 E CB -0.453 29.328 29.700 0.136 0.000 0.756 162 E HN 0.271 nan 8.360 nan 0.000 0.459 163 Y N 0.930 121.206 120.300 -0.040 0.000 2.224 163 Y HA -0.128 4.422 4.550 -0.000 0.000 0.289 163 Y C 2.246 178.106 175.900 -0.067 0.000 1.146 163 Y CA 0.981 59.028 58.100 -0.088 0.000 1.182 163 Y CB -0.235 38.175 38.460 -0.083 0.000 0.983 163 Y HN -0.063 nan 8.280 nan 0.000 0.524 164 R N -0.611 119.967 120.500 0.130 0.000 2.092 164 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 164 R C 2.472 178.788 176.300 0.027 0.000 1.119 164 R CA 0.961 57.089 56.100 0.046 0.000 0.970 164 R CB -0.493 29.813 30.300 0.011 0.000 0.864 164 R HN 0.287 nan 8.270 nan 0.000 0.440 165 A N 0.703 123.542 122.820 0.033 0.000 1.877 165 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 165 A C 2.327 179.933 177.584 0.037 0.000 1.186 165 A CA 1.341 53.393 52.037 0.025 0.000 0.620 165 A CB -0.539 18.475 19.000 0.024 0.000 0.822 165 A HN 0.105 nan 8.150 nan 0.000 0.443 166 V N -0.215 119.713 119.914 0.025 0.000 2.343 166 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 166 V C 2.499 178.622 176.094 0.048 0.000 1.051 166 V CA 1.930 64.250 62.300 0.034 0.000 1.036 166 V CB -0.808 30.965 31.823 -0.084 0.000 0.654 166 V HN 0.602 nan 8.190 nan 0.000 0.451 167 L N 0.523 121.732 121.223 -0.024 0.000 2.012 167 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 167 L C 2.584 179.486 176.870 0.054 0.000 1.073 167 L CA 2.309 57.133 54.840 -0.026 0.000 0.748 167 L CB -0.774 41.265 42.059 -0.032 0.000 0.891 167 L HN 0.226 nan 8.230 nan 0.000 0.431 168 R N -0.626 119.902 120.500 0.047 0.000 2.091 168 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 168 R C 2.174 178.517 176.300 0.071 0.000 1.136 168 R CA 1.562 57.690 56.100 0.046 0.000 0.959 168 R CB -0.481 29.835 30.300 0.026 0.000 0.856 168 R HN 0.543 nan 8.270 nan 0.000 0.437 169 A N 0.086 122.966 122.820 0.101 0.000 1.883 169 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 169 A C 1.971 179.613 177.584 0.096 0.000 1.186 169 A CA 1.475 53.566 52.037 0.090 0.000 0.624 169 A CB -0.904 18.162 19.000 0.109 0.000 0.822 169 A HN 0.492 nan 8.150 nan 0.000 0.444 170 Y N -1.000 119.289 120.300 -0.018 0.000 2.242 170 Y HA -0.095 4.455 4.550 -0.000 0.000 0.291 170 Y C 2.222 178.112 175.900 -0.016 0.000 1.137 170 Y CA 1.148 59.238 58.100 -0.017 0.000 1.181 170 Y CB -0.448 37.998 38.460 -0.023 0.000 0.989 170 Y HN 0.209 nan 8.280 nan 0.000 0.527 171 L N 0.186 121.497 121.223 0.146 0.000 2.005 171 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 171 L C 2.140 179.033 176.870 0.038 0.000 1.072 171 L CA 1.753 56.636 54.840 0.072 0.000 0.744 171 L CB -0.951 41.137 42.059 0.048 0.000 0.895 171 L HN 0.242 nan 8.230 nan 0.000 0.433 172 E N -0.812 119.406 120.200 0.030 0.000 2.204 172 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 172 E C 2.157 178.756 176.600 -0.001 0.000 0.990 172 E CA 0.928 57.335 56.400 0.011 0.000 0.821 172 E CB -0.204 29.500 29.700 0.007 0.000 0.750 172 E HN 0.506 nan 8.360 nan 0.000 0.477 173 A N 1.533 124.347 122.820 -0.010 0.000 1.933 173 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 173 A C 2.432 180.004 177.584 -0.020 0.000 1.175 173 A CA 1.686 53.703 52.037 -0.033 0.000 0.628 173 A CB -0.542 18.410 19.000 -0.080 0.000 0.814 173 A HN 0.235 nan 8.150 nan 0.000 0.444 174 V N -4.120 115.791 119.914 -0.004 0.000 3.647 174 V HA 0.548 4.668 4.120 -0.000 0.000 0.279 174 V C 1.279 177.375 176.094 0.003 0.000 1.314 174 V CA 0.617 62.917 62.300 0.000 0.000 1.125 174 V CB -0.781 31.049 31.823 0.011 0.000 0.907 174 V HN 1.508 nan 8.190 nan 0.000 0.434 175 G N -0.109 108.692 108.800 0.003 0.000 2.141 175 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.242 175 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.242 175 G C 0.373 175.277 174.900 0.006 0.000 0.982 175 G CA 0.257 45.359 45.100 0.003 0.000 0.662 175 G HN 1.561 nan 8.290 nan 0.000 0.527 176 A N -0.389 122.437 122.820 0.010 0.000 2.332 176 A HA 0.693 5.013 4.320 -0.000 0.000 0.258 176 A C 0.465 178.055 177.584 0.010 0.000 1.087 176 A CA 0.106 52.150 52.037 0.011 0.000 0.802 176 A CB 0.578 19.587 19.000 0.015 0.000 1.042 176 A HN 0.208 nan 8.150 nan 0.000 0.489 177 K N 0.233 120.639 120.400 0.009 0.000 2.221 177 K HA 0.591 4.911 4.320 -0.000 0.000 0.258 177 K C -1.551 175.054 176.600 0.009 0.000 0.944 177 K CA -0.561 55.731 56.287 0.008 0.000 0.823 177 K CB 1.741 34.246 32.500 0.008 0.000 1.113 177 K HN 0.481 nan 8.250 nan 0.000 0.431 178 L N 3.281 124.509 121.223 0.008 0.000 2.356 178 L HA 0.479 4.819 4.340 -0.000 0.000 0.277 178 L C -1.600 175.273 176.870 0.006 0.000 0.996 178 L CA -0.889 53.955 54.840 0.007 0.000 0.822 178 L CB 1.500 43.562 42.059 0.006 0.000 1.256 178 L HN 0.505 nan 8.230 nan 0.000 0.413 179 L N 4.210 125.438 121.223 0.009 0.000 2.333 179 L HA 0.670 5.010 4.340 -0.000 0.000 0.280 179 L C -0.445 176.431 176.870 0.009 0.000 1.004 179 L CA 0.213 55.059 54.840 0.009 0.000 0.820 179 L CB 2.011 44.079 42.059 0.015 0.000 1.247 179 L HN 0.691 nan 8.230 nan 0.000 0.416 180 T N 6.135 120.689 114.554 0.001 0.000 2.799 180 T HA 0.493 4.843 4.350 -0.000 0.000 0.286 180 T C -0.082 174.621 174.700 0.006 0.000 0.973 180 T CA -0.243 61.854 62.100 -0.004 0.000 1.035 180 T CB 0.546 69.399 68.868 -0.026 0.000 0.932 180 T HN 0.420 nan 8.240 nan 0.000 0.469 181 L N 6.534 127.769 121.223 0.021 0.000 2.259 181 L HA 0.327 4.667 4.340 -0.000 0.000 0.288 181 L C -1.856 175.035 176.870 0.035 0.000 1.051 181 L CA -2.159 52.706 54.840 0.042 0.000 0.824 181 L CB 0.362 42.468 42.059 0.079 0.000 1.206 181 L HN 0.328 nan 8.230 nan 0.000 0.429 182 P HA -0.015 nan 4.420 nan 0.000 0.266 182 P C -0.436 176.900 177.300 0.060 0.000 1.195 182 P CA -0.483 62.628 63.100 0.019 0.000 0.768 182 P CB 1.144 32.849 31.700 0.009 0.000 0.838 183 L N 3.118 124.392 121.223 0.085 0.000 2.426 183 L HA 0.154 4.494 4.340 -0.000 0.000 0.271 183 L C 0.890 177.827 176.870 0.112 0.000 1.169 183 L CA 0.615 55.535 54.840 0.133 0.000 0.836 183 L CB -0.382 41.815 42.059 0.229 0.000 1.112 183 L HN 0.399 nan 8.230 nan 0.000 0.465 184 E N 1.914 122.169 120.200 0.091 0.000 2.216 184 E HA 0.450 4.799 4.350 -0.000 0.000 0.260 184 E C 0.350 176.966 176.600 0.026 0.000 0.880 184 E CA 0.050 56.486 56.400 0.059 0.000 0.765 184 E CB 1.229 30.958 29.700 0.049 0.000 1.174 184 E HN 0.808 nan 8.360 nan 0.000 0.417 185 G N 2.488 111.278 108.800 -0.017 0.000 2.225 185 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.267 185 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.267 185 G C 0.895 175.718 174.900 -0.129 0.000 1.024 185 G CA 0.547 45.587 45.100 -0.101 0.000 0.784 185 G HN 1.174 nan 8.290 nan 0.000 0.507 186 G N -1.948 106.809 108.800 -0.072 0.000 2.176 186 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 186 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 186 G C 0.387 175.328 174.900 0.069 0.000 0.979 186 G CA 1.162 46.258 45.100 -0.007 0.000 0.641 186 G HN 1.038 nan 8.290 nan 0.000 0.530 187 R N -0.402 120.140 120.500 0.069 0.000 2.888 187 R HA 0.610 4.950 4.340 -0.000 0.000 0.266 187 R C -0.706 175.668 176.300 0.123 0.000 1.020 187 R CA -0.452 55.705 56.100 0.096 0.000 0.963 187 R CB 1.228 31.580 30.300 0.086 0.000 1.197 187 R HN 0.113 nan 8.270 nan 0.000 0.481 188 T N 4.009 118.660 114.554 0.161 0.000 2.728 188 T HA 0.233 4.583 4.350 -0.000 0.000 0.296 188 T C -2.183 172.706 174.700 0.315 0.000 0.940 188 T CA -1.269 60.962 62.100 0.218 0.000 1.013 188 T CB 0.902 69.873 68.868 0.172 0.000 0.912 188 T HN 0.313 nan 8.240 nan 0.000 0.484 189 P HA 0.164 nan 4.420 nan 0.000 0.271 189 P C -0.148 177.197 177.300 0.075 0.000 1.218 189 P CA -0.811 62.350 63.100 0.103 0.000 0.780 189 P CB 0.716 32.451 31.700 0.059 0.000 0.901 190 L N 5.792 126.934 121.223 -0.134 0.000 2.534 190 L HA 0.192 4.532 4.340 -0.000 0.000 0.271 190 L C -1.824 174.976 176.870 -0.117 0.000 1.178 190 L CA -0.745 53.895 54.840 -0.333 0.000 0.907 190 L CB -0.648 41.172 42.059 -0.399 0.000 1.164 190 L HN 0.356 nan 8.230 nan 0.000 0.482 191 P HA 0.252 nan 4.420 nan 0.000 0.283 191 P C -1.399 175.892 177.300 -0.016 0.000 1.271 191 P CA -0.786 62.321 63.100 0.013 0.000 0.841 191 P CB 1.085 32.837 31.700 0.086 0.000 1.122 192 E N 0.370 120.569 120.200 -0.003 0.000 2.200 192 E HA 0.335 4.685 4.350 -0.000 0.000 0.283 192 E C -0.975 175.631 176.600 0.010 0.000 1.015 192 E CA -0.704 55.693 56.400 -0.006 0.000 0.819 192 E CB 0.822 30.519 29.700 -0.004 0.000 1.081 192 E HN 0.113 nan 8.360 nan 0.000 0.397 193 V N 4.401 124.321 119.914 0.010 0.000 2.370 193 V HA 0.427 4.546 4.120 -0.000 0.000 0.283 193 V C 0.783 176.889 176.094 0.021 0.000 1.023 193 V CA -0.600 61.714 62.300 0.024 0.000 0.857 193 V CB 1.311 33.153 31.823 0.031 0.000 0.985 193 V HN 0.783 nan 8.190 nan 0.000 0.443 194 G N 2.647 111.460 108.800 0.023 0.000 2.537 194 G HA2 0.355 4.315 3.960 -0.000 0.000 0.273 194 G HA3 0.355 4.315 3.960 -0.000 0.000 0.273 194 G C 0.442 175.357 174.900 0.024 0.000 1.189 194 G CA -0.381 44.731 45.100 0.020 0.000 0.881 194 G HN 0.804 nan 8.290 nan 0.000 0.535 195 E N 0.128 120.341 120.200 0.022 0.000 2.472 195 E HA -0.115 4.235 4.350 -0.000 0.000 0.200 195 E C 1.770 178.384 176.600 0.022 0.000 1.046 195 E CA 0.750 57.165 56.400 0.024 0.000 0.871 195 E CB 0.291 30.004 29.700 0.022 0.000 0.806 195 E HN 0.699 nan 8.360 nan 0.000 0.533 196 E N 0.823 121.035 120.200 0.020 0.000 2.478 196 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 196 E C 0.425 177.036 176.600 0.019 0.000 1.045 196 E CA 0.189 56.599 56.400 0.017 0.000 0.868 196 E CB 0.040 29.748 29.700 0.014 0.000 0.885 196 E HN -0.030 nan 8.360 nan 0.000 0.505 197 V N 1.767 121.696 119.914 0.024 0.000 2.432 197 V HA 0.350 4.470 4.120 -0.000 0.000 0.271 197 V C 1.323 177.435 176.094 0.029 0.000 1.046 197 V CA 0.317 62.634 62.300 0.028 0.000 0.945 197 V CB 1.306 33.152 31.823 0.037 0.000 0.992 197 V HN 0.333 nan 8.190 nan 0.000 0.471 198 G N 3.374 112.186 108.800 0.020 0.000 2.719 198 G HA2 0.500 4.460 3.960 -0.000 0.000 0.211 198 G HA3 0.500 4.460 3.960 -0.000 0.000 0.211 198 G C 0.373 175.282 174.900 0.015 0.000 1.140 198 G CA 0.738 45.845 45.100 0.012 0.000 0.790 198 G HN 0.951 nan 8.290 nan 0.000 0.529 199 A N -0.278 122.555 122.820 0.023 0.000 2.488 199 A HA 0.651 4.971 4.320 -0.000 0.000 0.298 199 A C -1.596 176.019 177.584 0.053 0.000 1.044 199 A CA -0.352 51.702 52.037 0.027 0.000 0.693 199 A CB 2.005 20.998 19.000 -0.012 0.000 1.272 199 A HN 0.279 nan 8.150 nan 0.000 0.402 200 V N 2.574 122.550 119.914 0.104 0.000 2.409 200 V HA 0.532 4.652 4.120 -0.000 0.000 0.291 200 V C -0.451 175.709 176.094 0.110 0.000 1.020 200 V CA -0.497 61.900 62.300 0.162 0.000 0.848 200 V CB 1.504 33.496 31.823 0.281 0.000 0.990 200 V HN 0.694 nan 8.190 nan 0.000 0.430 201 V N 5.831 125.757 119.914 0.019 0.000 2.448 201 V HA 0.672 4.792 4.120 -0.000 0.000 0.295 201 V C -0.312 175.712 176.094 -0.117 0.000 1.025 201 V CA -0.506 61.730 62.300 -0.107 0.000 0.859 201 V CB 1.840 33.608 31.823 -0.092 0.000 0.988 201 V HN 0.597 nan 8.190 nan 0.000 0.431 202 V N 4.089 123.878 119.914 -0.208 0.000 2.925 202 V HA 0.519 4.638 4.120 -0.000 0.000 0.311 202 V C -0.610 175.368 176.094 -0.194 0.000 1.104 202 V CA -0.669 61.496 62.300 -0.224 0.000 0.954 202 V CB 2.129 33.737 31.823 -0.357 0.000 1.022 202 V HN 0.922 nan 8.190 nan 0.000 0.427 203 Q N 2.636 122.349 119.800 -0.145 0.000 2.312 203 Q HA 0.602 4.942 4.340 -0.000 0.000 0.263 203 Q C -1.212 174.733 176.000 -0.092 0.000 0.995 203 Q CA -0.541 55.197 55.803 -0.109 0.000 0.853 203 Q CB 1.752 30.439 28.738 -0.084 0.000 1.300 203 Q HN 0.783 nan 8.270 nan 0.000 0.448 204 N N 4.085 122.732 118.700 -0.089 0.000 2.519 204 N HA 0.447 5.187 4.740 -0.000 0.000 0.291 204 N C -2.897 172.541 175.510 -0.120 0.000 1.107 204 N CA -1.456 51.541 53.050 -0.088 0.000 0.904 204 N CB 1.996 40.420 38.487 -0.103 0.000 1.500 204 N HN 0.320 nan 8.380 nan 0.000 0.510 205 P HA 0.156 nan 4.420 nan 0.000 0.272 205 P C -0.593 176.698 177.300 -0.015 0.000 1.223 205 P CA -0.293 62.777 63.100 -0.049 0.000 0.784 205 P CB 0.493 32.195 31.700 0.005 0.000 0.923 206 N N 1.174 119.884 118.700 0.018 0.000 2.364 206 N HA 0.017 4.757 4.740 -0.000 0.000 0.264 206 N C 0.695 176.230 175.510 0.042 0.000 1.263 206 N CA -0.334 52.734 53.050 0.030 0.000 0.959 206 N CB -0.512 38.007 38.487 0.055 0.000 1.204 206 N HN 0.236 nan 8.380 nan 0.000 0.550 207 F N -0.317 119.565 119.950 -0.113 0.000 2.147 207 F HA -0.021 4.506 4.527 -0.000 0.000 0.301 207 F C 1.461 177.128 175.800 -0.222 0.000 1.084 207 F CA 1.445 59.321 58.000 -0.207 0.000 1.268 207 F CB -0.152 38.663 39.000 -0.307 0.000 1.009 207 F HN 0.422 nan 8.300 nan 0.000 0.486 208 L N -0.710 120.365 121.223 -0.247 0.000 2.591 208 L HA 0.226 4.566 4.340 -0.000 0.000 0.228 208 L C 1.897 178.695 176.870 -0.121 0.000 1.133 208 L CA 0.633 55.306 54.840 -0.278 0.000 0.880 208 L CB -0.885 41.137 42.059 -0.062 0.000 1.033 208 L HN 0.426 nan 8.230 nan 0.000 0.450 209 G N 0.074 108.845 108.800 -0.048 0.000 2.199 209 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 209 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 209 G C 0.479 175.513 174.900 0.223 0.000 0.982 209 G CA 0.017 45.181 45.100 0.106 0.000 0.632 209 G HN 0.499 nan 8.290 nan 0.000 0.529 210 A N 0.651 123.567 122.820 0.161 0.000 2.462 210 A HA 0.646 4.966 4.320 -0.000 0.000 0.243 210 A C 0.754 178.424 177.584 0.143 0.000 1.076 210 A CA 0.001 52.148 52.037 0.183 0.000 0.773 210 A CB 0.260 19.334 19.000 0.124 0.000 1.010 210 A HN 0.858 nan 8.150 nan 0.000 0.493 211 L N 1.601 122.914 121.223 0.150 0.000 2.380 211 L HA 0.336 4.676 4.340 -0.000 0.000 0.273 211 L C 0.442 177.354 176.870 0.070 0.000 1.138 211 L CA -0.170 54.729 54.840 0.098 0.000 0.832 211 L CB 0.792 42.920 42.059 0.116 0.000 1.124 211 L HN 0.800 nan 8.230 nan 0.000 0.454 212 E N 1.313 121.531 120.200 0.031 0.000 2.202 212 E HA 0.150 4.500 4.350 -0.000 0.000 0.272 212 E C -1.059 175.556 176.600 0.025 0.000 0.951 212 E CA -0.599 55.825 56.400 0.040 0.000 0.813 212 E CB 1.489 31.178 29.700 -0.017 0.000 1.151 212 E HN 0.408 nan 8.360 nan 0.000 0.398 213 D N 3.526 123.990 120.400 0.107 0.000 2.468 213 D HA 0.104 4.744 4.640 -0.000 0.000 0.218 213 D C 0.515 176.877 176.300 0.103 0.000 1.155 213 D CA 0.060 54.105 54.000 0.075 0.000 0.924 213 D CB 0.238 41.093 40.800 0.093 0.000 1.029 213 D HN 0.477 nan 8.370 nan 0.000 0.515 214 L N 2.819 123.916 121.223 -0.212 0.000 2.201 214 L HA 0.067 4.407 4.340 -0.000 0.000 0.212 214 L C 2.452 179.251 176.870 -0.117 0.000 1.105 214 L CA 0.815 55.526 54.840 -0.215 0.000 0.775 214 L CB -0.508 41.194 42.059 -0.594 0.000 0.913 214 L HN 0.513 nan 8.230 nan 0.000 0.440 215 G N 1.836 110.684 108.800 0.080 0.000 2.672 215 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 215 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 215 G C -0.375 174.504 174.900 -0.035 0.000 1.238 215 G CA 1.186 46.402 45.100 0.193 0.000 0.791 215 G HN 0.318 nan 8.290 nan 0.000 0.606 216 P HA -0.104 nan 4.420 nan 0.000 0.219 216 P C 1.432 178.515 177.300 -0.362 0.000 1.146 216 P CA 0.999 63.962 63.100 -0.229 0.000 0.808 216 P CB -0.198 31.332 31.700 -0.283 0.000 0.779 217 F N 1.017 120.749 119.950 -0.363 0.000 2.146 217 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 217 F C 2.775 178.091 175.800 -0.807 0.000 1.096 217 F CA 1.421 59.098 58.000 -0.539 0.000 1.275 217 F CB -1.406 37.200 39.000 -0.656 0.000 1.008 217 F HN -0.064 nan 8.300 nan 0.000 0.480 218 A N 0.026 122.348 122.820 -0.829 0.000 1.877 218 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 218 A C 2.108 179.360 177.584 -0.554 0.000 1.186 218 A CA 1.873 53.440 52.037 -0.784 0.000 0.620 218 A CB -0.815 17.970 19.000 -0.358 0.000 0.822 218 A HN 0.440 nan 8.150 nan 0.000 0.443 219 E N -0.203 119.846 120.200 -0.251 0.000 2.077 219 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 219 E C 2.297 178.836 176.600 -0.101 0.000 0.989 219 E CA 0.953 57.300 56.400 -0.088 0.000 0.800 219 E CB -0.313 29.359 29.700 -0.046 0.000 0.746 219 E HN 0.618 nan 8.360 nan 0.000 0.452 220 A N 1.547 124.271 122.820 -0.160 0.000 1.933 220 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 220 A C 2.376 179.920 177.584 -0.067 0.000 1.175 220 A CA 1.666 53.637 52.037 -0.110 0.000 0.628 220 A CB -0.576 18.337 19.000 -0.145 0.000 0.814 220 A HN 0.292 nan 8.150 nan 0.000 0.444 221 A N -0.794 121.953 122.820 -0.122 0.000 1.855 221 A HA -0.154 4.165 4.320 -0.000 0.000 0.215 221 A C 2.022 179.619 177.584 0.022 0.000 1.191 221 A CA 1.597 53.601 52.037 -0.054 0.000 0.613 221 A CB -0.962 17.997 19.000 -0.068 0.000 0.829 221 A HN 0.608 nan 8.150 nan 0.000 0.442 222 H N -0.320 118.787 119.070 0.061 0.000 2.422 222 H HA -0.091 4.465 4.556 -0.000 0.000 0.298 222 H C 2.326 177.679 175.328 0.042 0.000 1.098 222 H CA 1.005 57.090 56.048 0.063 0.000 1.315 222 H CB -0.988 28.813 29.762 0.065 0.000 1.382 222 H HN 0.494 nan 8.280 nan 0.000 0.523 223 G N -0.042 108.837 108.800 0.132 0.000 2.471 223 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.219 223 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.219 223 G C 1.627 176.564 174.900 0.061 0.000 1.125 223 G CA 0.757 45.903 45.100 0.076 0.000 0.775 223 G HN 0.527 nan 8.290 nan 0.000 0.548 224 A N -0.866 121.992 122.820 0.064 0.000 2.348 224 A HA 0.523 4.843 4.320 -0.000 0.000 0.224 224 A C 1.889 179.511 177.584 0.064 0.000 1.227 224 A CA 1.099 53.167 52.037 0.052 0.000 0.885 224 A CB -0.110 18.914 19.000 0.041 0.000 0.933 224 A HN 1.466 nan 8.150 nan 0.000 0.506 225 G N -1.672 107.183 108.800 0.091 0.000 2.175 225 G HA2 0.076 4.036 3.960 -0.000 0.000 0.244 225 G HA3 0.076 4.036 3.960 -0.000 0.000 0.244 225 G C 0.509 175.470 174.900 0.101 0.000 0.982 225 G CA 0.325 45.480 45.100 0.091 0.000 0.641 225 G HN 1.545 nan 8.290 nan 0.000 0.527 226 A N -0.189 122.698 122.820 0.111 0.000 2.271 226 A HA 0.836 5.156 4.320 -0.000 0.000 0.288 226 A C 0.467 178.154 177.584 0.171 0.000 1.094 226 A CA -0.269 51.830 52.037 0.103 0.000 0.828 226 A CB 0.595 19.645 19.000 0.082 0.000 1.091 226 A HN 0.784 nan 8.150 nan 0.000 0.493 227 L N 0.253 121.554 121.223 0.129 0.000 2.344 227 L HA 0.460 4.800 4.340 -0.000 0.000 0.272 227 L C -0.717 176.275 176.870 0.203 0.000 1.035 227 L CA -0.464 54.487 54.840 0.185 0.000 0.807 227 L CB 1.325 43.406 42.059 0.037 0.000 1.237 227 L HN 0.725 nan 8.230 nan 0.000 0.442 228 F N 2.366 122.357 119.950 0.068 0.000 2.404 228 F HA 0.509 5.036 4.527 -0.000 0.000 0.354 228 F C -0.466 175.356 175.800 0.037 0.000 1.122 228 F CA -0.754 57.251 58.000 0.008 0.000 1.080 228 F CB 1.251 40.219 39.000 -0.053 0.000 1.131 228 F HN -0.032 nan 8.300 nan 0.000 0.471 229 V N 6.289 125.857 119.914 -0.578 0.000 2.384 229 V HA 0.737 4.857 4.120 -0.000 0.000 0.287 229 V C -0.098 175.497 176.094 -0.832 0.000 1.020 229 V CA -0.702 61.284 62.300 -0.524 0.000 0.850 229 V CB 1.000 32.667 31.823 -0.261 0.000 0.987 229 V HN 0.977 nan 8.190 nan 0.000 0.436 230 A N 4.956 127.393 122.820 -0.639 0.000 2.318 230 A HA 0.833 5.153 4.320 -0.000 0.000 0.324 230 A C -0.672 176.779 177.584 -0.222 0.000 1.170 230 A CA -0.533 51.215 52.037 -0.483 0.000 0.810 230 A CB 1.430 20.233 19.000 -0.327 0.000 1.198 230 A HN 0.639 nan 8.150 nan 0.000 0.484 231 V N 1.630 121.440 119.914 -0.174 0.000 2.370 231 V HA 0.705 4.825 4.120 -0.000 0.000 0.279 231 V C 0.367 176.423 176.094 -0.063 0.000 1.029 231 V CA 0.118 62.357 62.300 -0.102 0.000 0.870 231 V CB 0.947 32.727 31.823 -0.071 0.000 0.984 231 V HN 1.261 nan 8.190 nan 0.000 0.451 232 A N 3.392 126.212 122.820 -0.001 0.000 2.459 232 A HA 0.522 4.842 4.320 -0.000 0.000 0.296 232 A C -0.678 176.972 177.584 0.110 0.000 1.039 232 A CA -0.636 51.426 52.037 0.041 0.000 0.698 232 A CB 1.286 20.330 19.000 0.073 0.000 1.261 232 A HN 0.784 nan 8.150 nan 0.000 0.405 233 D N 4.484 124.905 120.400 0.034 0.000 2.417 233 D HA 0.091 4.731 4.640 -0.000 0.000 0.250 233 D C -1.164 175.186 176.300 0.084 0.000 1.166 233 D CA -1.109 52.925 54.000 0.056 0.000 0.881 233 D CB 1.325 42.137 40.800 0.020 0.000 1.164 233 D HN 0.248 nan 8.370 nan 0.000 0.467 234 P HA -0.204 nan 4.420 nan 0.000 0.215 234 P C 1.792 179.106 177.300 0.023 0.000 1.153 234 P CA 0.564 63.699 63.100 0.059 0.000 0.853 234 P CB 0.240 31.977 31.700 0.061 0.000 0.788 235 L N 1.158 122.397 121.223 0.027 0.000 2.042 235 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 235 L C 2.646 179.586 176.870 0.116 0.000 1.076 235 L CA 2.660 57.535 54.840 0.057 0.000 0.749 235 L CB -1.651 40.401 42.059 -0.012 0.000 0.893 235 L HN 0.051 nan 8.230 nan 0.000 0.432 236 S N -0.995 114.757 115.700 0.087 0.000 2.400 236 S HA -0.193 4.277 4.470 -0.000 0.000 0.232 236 S C 1.905 176.489 174.600 -0.026 0.000 1.025 236 S CA 1.241 59.419 58.200 -0.037 0.000 0.993 236 S CB -0.931 61.941 63.200 -0.547 0.000 0.808 236 S HN 0.348 nan 8.310 nan 0.000 0.478 237 L N 2.252 123.465 121.223 -0.015 0.000 2.549 237 L HA 0.168 4.508 4.340 -0.000 0.000 0.230 237 L C 2.405 179.289 176.870 0.024 0.000 1.162 237 L CA 0.906 55.744 54.840 -0.003 0.000 0.834 237 L CB -1.597 40.448 42.059 -0.024 0.000 0.947 237 L HN 0.560 nan 8.230 nan 0.000 0.452 238 G N -2.185 106.650 108.800 0.060 0.000 2.572 238 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.216 238 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.216 238 G C 1.467 176.414 174.900 0.079 0.000 1.133 238 G CA 0.965 46.103 45.100 0.064 0.000 0.791 238 G HN 0.319 nan 8.290 nan 0.000 0.538 239 V N -0.637 119.347 119.914 0.116 0.000 3.368 239 V HA 0.454 4.574 4.120 -0.000 0.000 0.255 239 V C 0.439 176.604 176.094 0.117 0.000 1.466 239 V CA -0.127 62.249 62.300 0.126 0.000 1.095 239 V CB 0.138 32.073 31.823 0.186 0.000 0.899 239 V HN 0.102 nan 8.190 nan 0.000 0.440 240 L N 2.023 123.304 121.223 0.097 0.000 2.375 240 L HA 0.413 4.753 4.340 -0.000 0.000 0.271 240 L C 0.306 177.227 176.870 0.085 0.000 1.107 240 L CA -0.209 54.677 54.840 0.076 0.000 0.806 240 L CB 0.918 42.962 42.059 -0.025 0.000 1.146 240 L HN 0.104 nan 8.230 nan 0.000 0.447 241 K N 4.591 125.064 120.400 0.122 0.000 2.472 241 K HA 0.092 4.412 4.320 -0.000 0.000 0.280 241 K C -2.165 174.564 176.600 0.215 0.000 1.028 241 K CA -1.033 55.311 56.287 0.095 0.000 1.045 241 K CB 0.511 32.994 32.500 -0.030 0.000 0.902 241 K HN 0.259 nan 8.250 nan 0.000 0.478 242 P HA 0.046 nan 4.420 nan 0.000 0.274 242 P C -2.268 175.212 177.300 0.301 0.000 1.231 242 P CA -1.410 61.786 63.100 0.160 0.000 0.790 242 P CB 0.859 32.601 31.700 0.069 0.000 0.951 243 P HA -0.188 nan 4.420 nan 0.000 0.217 243 P C 1.628 179.126 177.300 0.330 0.000 1.148 243 P CA 1.867 65.168 63.100 0.334 0.000 0.828 243 P CB -0.638 31.167 31.700 0.174 0.000 0.783 244 G N 0.359 109.282 108.800 0.205 0.000 2.448 244 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 244 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 244 G C 1.777 176.759 174.900 0.136 0.000 1.127 244 G CA 0.829 46.024 45.100 0.157 0.000 0.766 244 G HN 0.387 nan 8.290 nan 0.000 0.552 245 A N -0.177 122.705 122.820 0.103 0.000 2.014 245 A HA 0.165 4.485 4.320 -0.000 0.000 0.218 245 A C 2.004 179.555 177.584 -0.056 0.000 1.163 245 A CA 0.860 52.880 52.037 -0.028 0.000 0.652 245 A CB -0.369 18.543 19.000 -0.147 0.000 0.808 245 A HN 0.423 nan 8.150 nan 0.000 0.449 246 Y N -1.117 119.250 120.300 0.110 0.000 2.511 246 Y HA 0.329 4.879 4.550 -0.000 0.000 0.279 246 Y C 1.812 177.797 175.900 0.142 0.000 1.157 246 Y CA 0.532 58.700 58.100 0.114 0.000 1.300 246 Y CB 0.285 38.826 38.460 0.135 0.000 1.052 246 Y HN 0.430 nan 8.280 nan 0.000 0.529 247 G N -0.317 108.673 108.800 0.318 0.000 2.148 247 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.203 247 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.203 247 G C 0.230 175.415 174.900 0.475 0.000 0.993 247 G CA -0.346 44.957 45.100 0.338 0.000 0.661 247 G HN 0.537 nan 8.290 nan 0.000 0.518 248 A N 0.062 123.169 122.820 0.478 0.000 2.483 248 A HA 0.529 4.848 4.320 -0.000 0.000 0.238 248 A C 1.149 178.945 177.584 0.354 0.000 1.070 248 A CA 0.930 53.272 52.037 0.507 0.000 0.770 248 A CB 0.315 19.511 19.000 0.327 0.000 1.008 248 A HN 0.249 nan 8.150 nan 0.000 0.497 249 D N 0.550 121.155 120.400 0.342 0.000 2.301 249 D HA 0.183 4.823 4.640 -0.000 0.000 0.206 249 D C 0.097 176.547 176.300 0.250 0.000 0.979 249 D CA 1.169 55.379 54.000 0.350 0.000 0.874 249 D CB 0.310 41.362 40.800 0.420 0.000 0.968 249 D HN 0.530 nan 8.370 nan 0.000 0.510 250 I N 0.309 120.951 120.570 0.120 0.000 2.722 250 I HA 0.463 4.633 4.170 -0.000 0.000 0.295 250 I C -1.144 174.971 176.117 -0.002 0.000 1.161 250 I CA -0.929 60.408 61.300 0.062 0.000 1.032 250 I CB 2.597 40.601 38.000 0.007 0.000 1.244 250 I HN -0.234 nan 8.210 nan 0.000 0.421 251 A N 5.339 128.194 122.820 0.057 0.000 2.374 251 A HA 0.905 5.224 4.320 -0.000 0.000 0.305 251 A C -0.916 176.732 177.584 0.108 0.000 1.053 251 A CA -0.577 51.514 52.037 0.090 0.000 0.726 251 A CB 1.751 20.869 19.000 0.197 0.000 1.229 251 A HN 0.669 nan 8.150 nan 0.000 0.431 252 V N -0.727 119.118 119.914 -0.116 0.000 3.160 252 V HA 1.083 5.203 4.120 -0.000 0.000 0.310 252 V C 0.033 175.574 176.094 -0.920 0.000 1.181 252 V CA -0.099 61.869 62.300 -0.553 0.000 1.047 252 V CB 1.400 33.011 31.823 -0.353 0.000 1.068 252 V HN 2.292 nan 8.190 nan 0.000 0.441 253 G N 0.139 108.095 108.800 -1.405 0.000 2.328 253 G HA2 0.384 4.343 3.960 -0.000 0.000 0.295 253 G HA3 0.384 4.343 3.960 -0.000 0.000 0.295 253 G C -2.334 172.194 174.900 -0.619 0.000 1.413 253 G CA -0.317 44.285 45.100 -0.831 0.000 0.817 253 G HN 0.977 nan 8.290 nan 0.000 0.546 254 D N -0.488 119.773 120.400 -0.231 0.000 2.168 254 D HA 0.483 5.123 4.640 -0.000 0.000 0.246 254 D C 1.165 177.264 176.300 -0.335 0.000 1.050 254 D CA 0.079 53.922 54.000 -0.261 0.000 0.857 254 D CB 1.862 42.589 40.800 -0.121 0.000 1.169 254 D HN 0.564 nan 8.370 nan 0.000 0.453 255 G N 2.299 110.611 108.800 -0.813 0.000 3.088 255 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.212 255 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.212 255 G C 1.107 175.707 174.900 -0.500 0.000 1.173 255 G CA -0.058 44.458 45.100 -0.974 0.000 0.779 255 G HN 0.446 nan 8.290 nan 0.000 0.540 256 Q N 1.937 121.459 119.800 -0.463 0.000 2.112 256 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 256 Q C 2.530 178.341 176.000 -0.315 0.000 0.987 256 Q CA 1.966 57.465 55.803 -0.507 0.000 0.858 256 Q CB -0.420 27.805 28.738 -0.855 0.000 0.905 256 Q HN 0.553 nan 8.270 nan 0.000 0.420 257 S N -0.535 115.012 115.700 -0.255 0.000 2.595 257 S HA -0.028 4.442 4.470 -0.000 0.000 0.235 257 S C 1.224 175.549 174.600 -0.459 0.000 0.974 257 S CA 0.175 58.204 58.200 -0.286 0.000 0.942 257 S CB -0.299 62.781 63.200 -0.201 0.000 0.766 257 S HN 0.366 nan 8.310 nan 0.000 0.536 258 L N 1.904 122.874 121.223 -0.421 0.000 2.865 258 L HA 0.420 4.760 4.340 -0.000 0.000 0.233 258 L C 1.404 177.605 176.870 -1.115 0.000 1.320 258 L CA -0.045 54.367 54.840 -0.714 0.000 1.225 258 L CB -0.602 41.359 42.059 -0.163 0.000 1.542 258 L HN 0.491 nan 8.230 nan 0.000 0.432 259 G N 0.292 108.444 108.800 -1.080 0.000 2.168 259 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 259 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 259 G C -0.098 174.667 174.900 -0.225 0.000 0.997 259 G CA -0.145 44.591 45.100 -0.606 0.000 0.708 259 G HN 0.267 nan 8.290 nan 0.000 0.520 260 L N 2.018 123.142 121.223 -0.165 0.000 2.326 260 L HA 0.485 4.825 4.340 -0.000 0.000 0.278 260 L C -1.336 175.553 176.870 0.032 0.000 1.092 260 L CA -2.247 52.587 54.840 -0.011 0.000 0.810 260 L CB 0.677 42.784 42.059 0.081 0.000 1.153 260 L HN -0.061 nan 8.230 nan 0.000 0.439 261 P HA 0.063 nan 4.420 nan 0.000 0.266 261 P C 0.629 178.041 177.300 0.188 0.000 1.195 261 P CA -0.074 63.084 63.100 0.096 0.000 0.768 261 P CB 0.578 32.327 31.700 0.082 0.000 0.838 262 M N 1.859 121.550 119.600 0.151 0.000 2.149 262 M HA -0.072 4.408 4.480 -0.000 0.000 0.261 262 M C 1.655 178.112 176.300 0.262 0.000 1.064 262 M CA 1.748 57.175 55.300 0.212 0.000 1.102 262 M CB -1.173 31.486 32.600 0.099 0.000 1.369 262 M HN 0.681 nan 8.290 nan 0.000 0.408 263 G N 0.774 109.673 108.800 0.165 0.000 2.416 263 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.301 263 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.301 263 G C 0.266 175.278 174.900 0.187 0.000 0.985 263 G CA 0.401 45.575 45.100 0.124 0.000 0.934 263 G HN 0.617 nan 8.290 nan 0.000 0.513 264 F N -1.872 118.086 119.950 0.013 0.000 3.100 264 F HA -0.188 4.339 4.527 -0.000 0.000 0.283 264 F C 1.635 177.436 175.800 0.002 0.000 0.900 264 F CA 2.451 60.452 58.000 0.001 0.000 1.010 264 F CB -1.035 37.958 39.000 -0.011 0.000 1.029 264 F HN 1.831 nan 8.300 nan 0.000 0.637 265 G N -0.975 107.806 108.800 -0.032 0.000 2.211 265 G HA2 0.377 4.337 3.960 -0.000 0.000 0.201 265 G HA3 0.377 4.337 3.960 -0.000 0.000 0.201 265 G C 0.976 175.756 174.900 -0.200 0.000 0.997 265 G CA 0.439 45.483 45.100 -0.094 0.000 0.652 265 G HN 2.035 nan 8.290 nan 0.000 0.500 266 G N -0.540 108.059 108.800 -0.334 0.000 2.355 266 G HA2 0.684 4.643 3.960 -0.000 0.000 0.296 266 G HA3 0.684 4.643 3.960 -0.000 0.000 0.296 266 G C -3.208 171.512 174.900 -0.300 0.000 1.507 266 G CA 0.249 45.054 45.100 -0.492 0.000 0.823 266 G HN 0.660 nan 8.290 nan 0.000 0.569 267 P HA 0.621 nan 4.420 nan 0.000 0.285 267 P C -0.700 176.391 177.300 -0.350 0.000 1.269 267 P CA -0.205 62.727 63.100 -0.280 0.000 0.844 267 P CB 2.150 33.791 31.700 -0.098 0.000 1.094 268 H N -0.113 118.985 119.070 0.045 0.000 4.179 268 H HA 0.688 5.244 4.556 -0.000 0.000 0.413 268 H C -0.548 174.893 175.328 0.188 0.000 1.368 268 H CA -0.434 55.656 56.048 0.069 0.000 1.046 268 H CB 0.798 30.526 29.762 -0.056 0.000 0.902 268 H HN 0.502 nan 8.280 nan 0.000 0.774 269 F N -1.499 118.544 119.950 0.155 0.000 2.741 269 F HA 0.695 5.222 4.527 -0.000 0.000 0.311 269 F C -0.983 174.862 175.800 0.074 0.000 1.149 269 F CA -0.932 57.114 58.000 0.076 0.000 0.930 269 F CB 1.070 40.086 39.000 0.027 0.000 1.312 269 F HN 0.562 nan 8.300 nan 0.000 0.450 270 G N 0.685 109.586 108.800 0.169 0.000 2.481 270 G HA2 0.673 4.633 3.960 -0.000 0.000 0.315 270 G HA3 0.673 4.633 3.960 -0.000 0.000 0.315 270 G C -2.037 173.016 174.900 0.255 0.000 1.231 270 G CA -0.937 44.144 45.100 -0.030 0.000 0.968 270 G HN 0.991 nan 8.290 nan 0.000 0.482 271 F N 0.254 120.296 119.950 0.154 0.000 2.538 271 F HA 0.863 5.390 4.527 -0.000 0.000 0.325 271 F C -1.300 174.545 175.800 0.074 0.000 1.066 271 F CA -2.190 55.943 58.000 0.222 0.000 0.946 271 F CB 2.190 41.350 39.000 0.266 0.000 1.199 271 F HN 0.428 nan 8.300 nan 0.000 0.473 272 L N 3.227 124.635 121.223 0.309 0.000 2.446 272 L HA 0.869 5.209 4.340 -0.000 0.000 0.268 272 L C -1.318 175.675 176.870 0.206 0.000 0.975 272 L CA -0.957 53.977 54.840 0.156 0.000 0.848 272 L CB 0.946 43.030 42.059 0.041 0.000 1.225 272 L HN 1.090 nan 8.230 nan 0.000 0.410 273 A N 3.127 126.080 122.820 0.223 0.000 2.374 273 A HA 0.948 5.268 4.320 -0.000 0.000 0.317 273 A C -0.334 177.320 177.584 0.117 0.000 1.094 273 A CA 0.034 52.154 52.037 0.138 0.000 0.765 273 A CB 1.833 20.901 19.000 0.114 0.000 1.268 273 A HN 0.803 nan 8.150 nan 0.000 0.438 274 T N -0.094 114.519 114.554 0.099 0.000 2.649 274 T HA 0.480 4.830 4.350 -0.000 0.000 0.305 274 T C -1.307 173.446 174.700 0.088 0.000 1.409 274 T CA -0.476 61.709 62.100 0.141 0.000 1.021 274 T CB 0.656 69.654 68.868 0.217 0.000 1.726 274 T HN 0.562 nan 8.240 nan 0.000 0.475 275 K N 1.808 122.258 120.400 0.082 0.000 2.185 275 K HA 0.422 4.742 4.320 -0.000 0.000 0.271 275 K C 1.017 177.535 176.600 -0.137 0.000 1.013 275 K CA -0.315 55.896 56.287 -0.127 0.000 0.943 275 K CB 0.930 33.156 32.500 -0.457 0.000 0.998 275 K HN 0.528 nan 8.250 nan 0.000 0.468 276 K N 1.776 122.100 120.400 -0.127 0.000 2.209 276 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 276 K C 1.344 177.876 176.600 -0.115 0.000 1.048 276 K CA 1.451 57.690 56.287 -0.079 0.000 0.940 276 K CB 0.003 32.467 32.500 -0.060 0.000 0.729 276 K HN 0.658 nan 8.250 nan 0.000 0.451 277 A N 0.166 122.823 122.820 -0.272 0.000 2.070 277 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 277 A C 0.995 178.474 177.584 -0.174 0.000 1.159 277 A CA 0.929 52.783 52.037 -0.304 0.000 0.656 277 A CB -0.310 18.390 19.000 -0.500 0.000 0.800 277 A HN 0.325 nan 8.150 nan 0.000 0.453 278 F N -1.838 118.125 119.950 0.023 0.000 2.647 278 F HA 0.212 4.739 4.527 -0.000 0.000 0.300 278 F C 1.708 177.523 175.800 0.024 0.000 1.106 278 F CA -0.881 57.133 58.000 0.024 0.000 1.313 278 F CB -0.676 38.341 39.000 0.027 0.000 1.007 278 F HN 0.048 nan 8.300 nan 0.000 0.536 279 V N 0.929 120.935 119.914 0.153 0.000 2.469 279 V HA -0.251 3.869 4.120 -0.000 0.000 0.251 279 V C 2.835 178.988 176.094 0.100 0.000 1.064 279 V CA 1.942 64.307 62.300 0.107 0.000 1.066 279 V CB -0.233 31.631 31.823 0.067 0.000 0.667 279 V HN 0.320 nan 8.190 nan 0.000 0.461 280 R N -0.467 120.094 120.500 0.101 0.000 2.152 280 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 280 R C 1.882 178.225 176.300 0.073 0.000 1.117 280 R CA 1.435 57.583 56.100 0.080 0.000 0.981 280 R CB -0.180 30.165 30.300 0.076 0.000 0.870 280 R HN 0.574 nan 8.270 nan 0.000 0.451 281 Q N 0.159 120.009 119.800 0.084 0.000 2.319 281 Q HA 0.060 4.400 4.340 -0.000 0.000 0.202 281 Q C 0.066 176.096 176.000 0.051 0.000 0.896 281 Q CA -0.220 55.616 55.803 0.055 0.000 0.942 281 Q CB 0.160 28.918 28.738 0.034 0.000 1.083 281 Q HN 0.090 nan 8.270 nan 0.000 0.510 282 L N 4.021 125.285 121.223 0.068 0.000 2.462 282 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 282 L C -2.289 174.607 176.870 0.043 0.000 1.166 282 L CA -1.154 53.721 54.840 0.058 0.000 0.880 282 L CB 0.467 42.570 42.059 0.073 0.000 1.142 282 L HN -0.086 nan 8.230 nan 0.000 0.473 283 P HA 0.522 nan 4.420 nan 0.000 0.281 283 P C -0.247 177.060 177.300 0.011 0.000 1.264 283 P CA 0.065 63.174 63.100 0.015 0.000 0.824 283 P CB 1.425 33.123 31.700 -0.005 0.000 1.092 284 G N 0.424 109.229 108.800 0.008 0.000 2.728 284 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.294 284 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.294 284 G C -0.770 174.148 174.900 0.031 0.000 1.342 284 G CA -0.790 44.312 45.100 0.003 0.000 0.866 284 G HN 0.676 nan 8.290 nan 0.000 0.534 285 R N -1.020 119.493 120.500 0.022 0.000 2.490 285 R HA 0.590 4.930 4.340 -0.000 0.000 0.278 285 R C -0.500 175.831 176.300 0.052 0.000 1.069 285 R CA -0.465 55.655 56.100 0.033 0.000 1.080 285 R CB 1.038 31.334 30.300 -0.008 0.000 1.030 285 R HN 0.616 nan 8.270 nan 0.000 0.491 286 L N 2.624 123.888 121.223 0.069 0.000 2.476 286 L HA 0.336 4.676 4.340 -0.000 0.000 0.269 286 L C -1.293 175.645 176.870 0.114 0.000 0.965 286 L CA -0.563 54.330 54.840 0.089 0.000 0.845 286 L CB 2.182 44.293 42.059 0.086 0.000 1.259 286 L HN 0.277 nan 8.230 nan 0.000 0.403 287 V N 3.285 123.290 119.914 0.152 0.000 2.472 287 V HA 0.759 4.879 4.120 -0.000 0.000 0.290 287 V C 0.078 176.366 176.094 0.324 0.000 1.037 287 V CA -0.346 62.085 62.300 0.218 0.000 0.908 287 V CB 1.610 33.578 31.823 0.243 0.000 0.985 287 V HN 0.840 nan 8.190 nan 0.000 0.454 288 S N 2.894 118.762 115.700 0.279 0.000 2.542 288 S HA 0.499 4.969 4.470 -0.000 0.000 0.293 288 S C -0.601 174.087 174.600 0.147 0.000 1.089 288 S CA -0.671 57.689 58.200 0.267 0.000 0.961 288 S CB 1.736 65.027 63.200 0.150 0.000 1.062 288 S HN 0.870 nan 8.310 nan 0.000 0.483 289 E N 1.256 121.461 120.200 0.008 0.000 2.374 289 E HA 0.504 4.853 4.350 -0.000 0.000 0.260 289 E C -0.152 176.291 176.600 -0.263 0.000 1.101 289 E CA -0.097 56.066 56.400 -0.396 0.000 0.907 289 E CB 1.135 30.548 29.700 -0.479 0.000 1.014 289 E HN 0.666 nan 8.360 nan 0.000 0.427 290 T N 1.171 115.500 114.554 -0.374 0.000 2.646 290 T HA 0.393 4.743 4.350 -0.000 0.000 0.297 290 T C -1.887 172.663 174.700 -0.249 0.000 1.363 290 T CA -0.373 61.595 62.100 -0.219 0.000 1.056 290 T CB 1.105 69.894 68.868 -0.131 0.000 1.779 290 T HN 0.291 nan 8.240 nan 0.000 0.459 291 V N 1.900 121.716 119.914 -0.163 0.000 3.049 291 V HA 0.615 4.734 4.120 -0.000 0.000 0.309 291 V C -1.258 174.775 176.094 -0.102 0.000 1.148 291 V CA -0.451 61.762 62.300 -0.145 0.000 0.990 291 V CB 2.131 33.889 31.823 -0.109 0.000 1.039 291 V HN 1.098 nan 8.190 nan 0.000 0.430 292 D N 2.778 123.125 120.400 -0.089 0.000 2.506 292 D HA 0.108 4.748 4.640 -0.000 0.000 0.272 292 D C 1.258 177.533 176.300 -0.043 0.000 1.214 292 D CA 0.227 54.191 54.000 -0.059 0.000 1.067 292 D CB 1.352 42.121 40.800 -0.052 0.000 1.117 292 D HN 0.308 nan 8.370 nan 0.000 0.578 293 V N -0.160 119.735 119.914 -0.030 0.000 2.546 293 V HA -0.228 3.892 4.120 -0.000 0.000 0.254 293 V C 1.495 177.575 176.094 -0.023 0.000 1.076 293 V CA 2.226 64.513 62.300 -0.023 0.000 1.087 293 V CB -0.598 31.216 31.823 -0.016 0.000 0.674 293 V HN 0.558 nan 8.190 nan 0.000 0.470 294 E N -1.056 119.128 120.200 -0.027 0.000 2.498 294 E HA 0.324 4.673 4.350 -0.000 0.000 0.203 294 E C 1.325 177.907 176.600 -0.030 0.000 1.013 294 E CA 0.528 56.914 56.400 -0.024 0.000 0.927 294 E CB 0.696 30.383 29.700 -0.021 0.000 1.012 294 E HN 0.678 nan 8.360 nan 0.000 0.482 295 G N 2.232 111.008 108.800 -0.040 0.000 2.144 295 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 295 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 295 G C 0.075 174.939 174.900 -0.060 0.000 0.988 295 G CA -0.464 44.608 45.100 -0.048 0.000 0.659 295 G HN 0.083 nan 8.290 nan 0.000 0.522 296 R N 0.188 120.650 120.500 -0.062 0.000 2.490 296 R HA 0.421 4.761 4.340 -0.000 0.000 0.280 296 R C 0.884 177.112 176.300 -0.119 0.000 1.077 296 R CA -0.615 55.442 56.100 -0.072 0.000 1.065 296 R CB 0.793 31.060 30.300 -0.055 0.000 1.003 296 R HN 0.336 nan 8.270 nan 0.000 0.470 297 R N 0.965 121.380 120.500 -0.141 0.000 2.489 297 R HA 0.160 4.500 4.340 -0.000 0.000 0.287 297 R C -0.352 175.748 176.300 -0.335 0.000 1.053 297 R CA 0.427 56.372 56.100 -0.258 0.000 1.036 297 R CB 0.507 30.667 30.300 -0.234 0.000 0.966 297 R HN 0.831 nan 8.270 nan 0.000 0.432 298 G N 2.548 111.025 108.800 -0.539 0.000 2.695 298 G HA2 0.589 4.549 3.960 -0.000 0.000 0.290 298 G HA3 0.589 4.549 3.960 -0.000 0.000 0.290 298 G C -1.791 172.589 174.900 -0.867 0.000 1.410 298 G CA -0.704 44.099 45.100 -0.494 0.000 0.844 298 G HN 0.421 nan 8.290 nan 0.000 0.478 299 F N -0.400 119.485 119.950 -0.109 0.000 2.563 299 F HA 0.801 5.328 4.527 -0.000 0.000 0.316 299 F C 0.066 175.838 175.800 -0.047 0.000 1.076 299 F CA -0.842 57.087 58.000 -0.119 0.000 0.921 299 F CB 2.643 41.562 39.000 -0.135 0.000 1.209 299 F HN 0.415 nan 8.300 nan 0.000 0.462 300 I N 2.104 122.759 120.570 0.141 0.000 2.918 300 I HA 0.382 4.552 4.170 -0.000 0.000 0.301 300 I C -1.531 174.652 176.117 0.108 0.000 1.312 300 I CA -0.806 60.553 61.300 0.098 0.000 1.007 300 I CB 1.892 39.922 38.000 0.051 0.000 1.281 300 I HN 0.425 nan 8.210 nan 0.000 0.440 301 L N 4.769 126.047 121.223 0.091 0.000 2.453 301 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 301 L C 0.222 177.153 176.870 0.102 0.000 1.182 301 L CA 0.650 55.546 54.840 0.093 0.000 0.858 301 L CB 0.895 43.008 42.059 0.090 0.000 1.120 301 L HN 0.614 nan 8.230 nan 0.000 0.474 302 T N 2.771 117.386 114.554 0.102 0.000 2.838 302 T HA 0.464 4.814 4.350 -0.000 0.000 0.292 302 T C 0.066 174.820 174.700 0.090 0.000 1.113 302 T CA -0.605 61.550 62.100 0.093 0.000 1.008 302 T CB 0.792 69.713 68.868 0.089 0.000 1.259 302 T HN 0.517 nan 8.240 nan 0.000 0.520 303 L N 2.040 123.311 121.223 0.080 0.000 3.762 303 L HA -0.206 4.134 4.340 -0.000 0.000 0.460 303 L C 1.370 178.289 176.870 0.082 0.000 1.255 303 L CA 0.374 55.258 54.840 0.074 0.000 0.783 303 L CB -1.078 41.023 42.059 0.070 0.000 1.600 303 L HN 0.790 nan 8.230 nan 0.000 0.862 304 Q N -0.055 119.803 119.800 0.095 0.000 2.515 304 Q HA 0.001 4.341 4.340 -0.000 0.000 0.212 304 Q C 2.058 178.119 176.000 0.102 0.000 0.970 304 Q CA 0.798 56.669 55.803 0.115 0.000 0.941 304 Q CB 0.230 29.058 28.738 0.150 0.000 0.998 304 Q HN 0.795 nan 8.270 nan 0.000 0.518 305 A N 0.745 123.610 122.820 0.075 0.000 2.209 305 A HA -0.085 4.235 4.320 -0.000 0.000 0.212 305 A C 1.762 179.376 177.584 0.050 0.000 1.158 305 A CA 0.457 52.526 52.037 0.053 0.000 0.742 305 A CB -0.034 18.990 19.000 0.041 0.000 0.790 305 A HN 0.209 nan 8.150 nan 0.000 0.472 306 R N -0.010 120.526 120.500 0.060 0.000 2.275 306 R HA 0.106 4.446 4.340 -0.000 0.000 0.199 306 R C -0.074 176.262 176.300 0.059 0.000 0.989 306 R CA 0.380 56.513 56.100 0.055 0.000 1.016 306 R CB 0.176 30.510 30.300 0.058 0.000 0.918 306 R HN 0.595 nan 8.270 nan 0.000 0.473 307 E N 0.112 120.358 120.200 0.076 0.000 2.232 307 E HA 0.008 4.358 4.350 -0.000 0.000 0.264 307 E C 0.391 177.047 176.600 0.093 0.000 0.973 307 E CA -0.505 55.949 56.400 0.091 0.000 0.849 307 E CB 1.251 31.025 29.700 0.124 0.000 1.198 307 E HN -0.017 nan 8.360 nan 0.000 0.407 308 Q N 0.629 120.489 119.800 0.101 0.000 2.112 308 Q HA -0.304 4.036 4.340 -0.000 0.000 0.206 308 Q C 1.765 177.825 176.000 0.099 0.000 0.987 308 Q CA 1.832 57.689 55.803 0.091 0.000 0.858 308 Q CB -0.694 28.103 28.738 0.098 0.000 0.905 308 Q HN 0.724 nan 8.270 nan 0.000 0.420 309 Y N 0.868 121.186 120.300 0.030 0.000 2.053 309 Y HA -0.204 4.346 4.550 -0.000 0.000 0.277 309 Y C 1.901 177.802 175.900 0.003 0.000 1.159 309 Y CA 1.907 60.010 58.100 0.006 0.000 1.125 309 Y CB -0.276 38.170 38.460 -0.023 0.000 0.969 309 Y HN 0.171 nan 8.280 nan 0.000 0.492 310 I N -0.750 119.724 120.570 -0.160 0.000 2.333 310 I HA -0.162 4.008 4.170 -0.000 0.000 0.246 310 I C 2.274 178.309 176.117 -0.137 0.000 1.106 310 I CA 1.205 62.365 61.300 -0.233 0.000 1.411 310 I CB -0.223 37.759 38.000 -0.030 0.000 1.082 310 I HN 0.042 nan 8.210 nan 0.000 0.420 311 R N 0.551 121.021 120.500 -0.051 0.000 2.246 311 R HA 0.094 4.434 4.340 -0.000 0.000 0.199 311 R C 1.095 177.378 176.300 -0.029 0.000 0.984 311 R CA 0.252 56.334 56.100 -0.029 0.000 1.015 311 R CB -0.056 30.246 30.300 0.004 0.000 0.930 311 R HN 0.145 nan 8.270 nan 0.000 0.475 312 R N -1.714 118.768 120.500 -0.030 0.000 3.731 312 R HA -0.351 3.989 4.340 -0.000 0.000 0.488 312 R C 1.513 177.811 176.300 -0.003 0.000 0.241 312 R CA 1.928 58.017 56.100 -0.017 0.000 1.531 312 R CB -1.871 28.405 30.300 -0.040 0.000 0.923 312 R HN 0.282 nan 8.270 nan 0.000 0.596 313 A N 0.868 123.684 122.820 -0.008 0.000 2.024 313 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 313 A C 1.573 179.158 177.584 0.001 0.000 1.164 313 A CA 1.996 54.032 52.037 -0.003 0.000 0.643 313 A CB -0.335 18.662 19.000 -0.006 0.000 0.806 313 A HN 0.414 nan 8.150 nan 0.000 0.451 314 K N -0.411 119.989 120.400 -0.001 0.000 2.397 314 K HA 0.396 4.716 4.320 -0.000 0.000 0.202 314 K C 0.469 177.075 176.600 0.011 0.000 1.022 314 K CA 0.185 56.474 56.287 0.004 0.000 1.141 314 K CB 0.264 32.764 32.500 0.001 0.000 0.857 314 K HN 0.439 nan 8.250 nan 0.000 0.514 315 A N 1.529 124.358 122.820 0.015 0.000 2.466 315 A HA 0.018 4.337 4.320 -0.000 0.000 0.238 315 A C 1.034 178.635 177.584 0.028 0.000 1.074 315 A CA 0.005 52.058 52.037 0.026 0.000 0.774 315 A CB 0.419 19.441 19.000 0.036 0.000 1.015 315 A HN 0.040 nan 8.150 nan 0.000 0.498 316 K N 0.133 120.552 120.400 0.032 0.000 2.211 316 K HA 0.013 4.332 4.320 -0.000 0.000 0.203 316 K C 0.737 177.356 176.600 0.032 0.000 1.050 316 K CA 1.363 57.668 56.287 0.029 0.000 0.945 316 K CB -0.356 32.162 32.500 0.030 0.000 0.732 316 K HN 0.654 nan 8.250 nan 0.000 0.451 317 S N 0.162 115.883 115.700 0.036 0.000 2.588 317 S HA 0.197 4.667 4.470 -0.000 0.000 0.269 317 S C -0.250 174.379 174.600 0.049 0.000 1.157 317 S CA -0.660 57.565 58.200 0.042 0.000 0.824 317 S CB 0.927 64.143 63.200 0.028 0.000 1.126 317 S HN 0.206 nan 8.310 nan 0.000 0.464 318 N N 2.231 120.968 118.700 0.061 0.000 2.398 318 N HA 0.067 4.807 4.740 -0.000 0.000 0.188 318 N C 0.655 176.221 175.510 0.093 0.000 1.122 318 N CA -0.107 52.986 53.050 0.072 0.000 0.866 318 N CB -0.504 38.023 38.487 0.068 0.000 0.970 318 N HN 0.697 nan 8.380 nan 0.000 0.462 319 I N 0.976 121.590 120.570 0.073 0.000 2.826 319 I HA -0.148 4.022 4.170 -0.000 0.000 0.295 319 I C 0.202 176.371 176.117 0.087 0.000 1.213 319 I CA 0.661 61.999 61.300 0.063 0.000 1.436 319 I CB 0.600 38.542 38.000 -0.098 0.000 1.348 319 I HN 0.133 nan 8.210 nan 0.000 0.570 320 T N 4.136 118.770 114.554 0.133 0.000 3.257 320 T HA 0.097 4.447 4.350 -0.000 0.000 0.176 320 T C 0.298 175.067 174.700 0.115 0.000 0.892 320 T CA -0.164 62.017 62.100 0.135 0.000 1.147 320 T CB 0.032 68.996 68.868 0.161 0.000 1.840 320 T HN 0.551 nan 8.240 nan 0.000 0.375 321 T N 4.238 118.881 114.554 0.148 0.000 2.934 321 T HA 0.220 4.569 4.350 -0.000 0.000 0.306 321 T C 0.495 175.299 174.700 0.173 0.000 1.042 321 T CA -0.090 62.084 62.100 0.123 0.000 1.145 321 T CB 0.158 69.110 68.868 0.139 0.000 0.982 321 T HN 0.564 nan 8.240 nan 0.000 0.544 322 N N 1.790 120.543 118.700 0.088 0.000 3.245 322 N HA 0.591 5.331 4.740 -0.000 0.000 0.333 322 N C -0.521 175.057 175.510 0.113 0.000 1.403 322 N CA -0.646 52.460 53.050 0.093 0.000 0.648 322 N CB 0.273 38.744 38.487 -0.026 0.000 1.572 322 N HN 0.504 nan 8.380 nan 0.000 0.516 323 A N -0.988 121.856 122.820 0.040 0.000 2.959 323 A HA 0.298 4.618 4.320 -0.000 0.000 0.280 323 A C 0.910 178.422 177.584 -0.120 0.000 0.953 323 A CA -0.295 51.760 52.037 0.031 0.000 1.047 323 A CB -0.110 18.976 19.000 0.144 0.000 1.147 323 A HN 0.465 nan 8.150 nan 0.000 0.489 324 Q N -0.077 119.632 119.800 -0.153 0.000 2.014 324 Q HA -0.204 4.136 4.340 -0.000 0.000 0.207 324 Q C 1.758 177.586 176.000 -0.287 0.000 0.993 324 Q CA 2.381 58.031 55.803 -0.254 0.000 0.850 324 Q CB -0.349 28.274 28.738 -0.193 0.000 0.916 324 Q HN 0.676 nan 8.270 nan 0.000 0.417 325 L N -0.054 121.062 121.223 -0.177 0.000 2.012 325 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 325 L C 2.218 178.970 176.870 -0.196 0.000 1.073 325 L CA 2.672 57.414 54.840 -0.164 0.000 0.748 325 L CB -1.163 40.852 42.059 -0.072 0.000 0.891 325 L HN 0.570 nan 8.230 nan 0.000 0.431 326 T N -3.280 111.189 114.554 -0.141 0.000 2.904 326 T HA -0.031 4.319 4.350 -0.000 0.000 0.267 326 T C 1.885 176.369 174.700 -0.359 0.000 1.059 326 T CA 0.819 62.879 62.100 -0.068 0.000 1.137 326 T CB -0.802 68.157 68.868 0.152 0.000 0.879 326 T HN 0.360 nan 8.240 nan 0.000 0.467 327 A N 1.472 123.814 122.820 -0.796 0.000 1.930 327 A HA 0.151 4.470 4.320 -0.000 0.000 0.217 327 A C 2.250 179.239 177.584 -0.992 0.000 1.175 327 A CA 1.031 52.063 52.037 -1.675 0.000 0.627 327 A CB -0.822 17.172 19.000 -1.677 0.000 0.815 327 A HN 0.404 nan 8.150 nan 0.000 0.443 328 L N -0.846 119.996 121.223 -0.635 0.000 2.141 328 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 328 L C 2.614 179.313 176.870 -0.286 0.000 1.094 328 L CA 1.634 56.218 54.840 -0.427 0.000 0.763 328 L CB -0.712 41.082 42.059 -0.443 0.000 0.908 328 L HN 0.398 nan 8.230 nan 0.000 0.437 329 M N -1.587 117.875 119.600 -0.231 0.000 2.175 329 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 329 M C 2.184 178.486 176.300 0.003 0.000 1.063 329 M CA 1.685 56.931 55.300 -0.089 0.000 1.119 329 M CB -0.832 31.751 32.600 -0.029 0.000 1.377 329 M HN 0.357 nan 8.290 nan 0.000 0.415 330 G N -0.116 108.678 108.800 -0.009 0.000 2.418 330 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 330 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 330 G C 1.609 176.606 174.900 0.162 0.000 1.158 330 G CA 0.954 46.160 45.100 0.176 0.000 0.771 330 G HN 0.535 nan 8.290 nan 0.000 0.545 331 A N 0.656 123.517 122.820 0.067 0.000 1.902 331 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 331 A C 2.470 180.076 177.584 0.036 0.000 1.181 331 A CA 1.790 53.869 52.037 0.071 0.000 0.623 331 A CB -0.363 18.665 19.000 0.047 0.000 0.818 331 A HN 0.383 nan 8.150 nan 0.000 0.443 332 M N -2.324 117.279 119.600 0.006 0.000 2.117 332 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 332 M C 2.265 178.605 176.300 0.067 0.000 1.065 332 M CA 2.043 57.348 55.300 0.007 0.000 1.114 332 M CB -0.544 32.041 32.600 -0.024 0.000 1.361 332 M HN 0.602 nan 8.290 nan 0.000 0.408 333 Y N 1.057 121.350 120.300 -0.011 0.000 2.145 333 Y HA -0.264 4.286 4.550 -0.000 0.000 0.286 333 Y C 2.037 177.939 175.900 0.004 0.000 1.145 333 Y CA 1.501 59.603 58.100 0.004 0.000 1.148 333 Y CB -0.200 38.272 38.460 0.019 0.000 0.981 333 Y HN 0.010 nan 8.280 nan 0.000 0.507 334 L N 0.247 121.565 121.223 0.159 0.000 2.042 334 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 334 L C 2.649 179.493 176.870 -0.044 0.000 1.076 334 L CA 2.047 56.914 54.840 0.045 0.000 0.749 334 L CB -1.769 40.328 42.059 0.062 0.000 0.893 334 L HN 0.395 nan 8.230 nan 0.000 0.432 335 A N -1.129 121.674 122.820 -0.028 0.000 1.898 335 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 335 A C 2.457 180.003 177.584 -0.062 0.000 1.181 335 A CA 1.532 53.546 52.037 -0.040 0.000 0.620 335 A CB -0.782 18.204 19.000 -0.024 0.000 0.819 335 A HN 0.391 nan 8.150 nan 0.000 0.442 336 A N -0.756 122.014 122.820 -0.083 0.000 1.933 336 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 336 A C 2.011 179.508 177.584 -0.145 0.000 1.175 336 A CA 1.536 53.512 52.037 -0.100 0.000 0.628 336 A CB -0.306 18.634 19.000 -0.100 0.000 0.814 336 A HN 0.389 nan 8.150 nan 0.000 0.444 337 L N -1.898 119.188 121.223 -0.228 0.000 2.253 337 L HA 0.223 4.563 4.340 -0.000 0.000 0.205 337 L C 1.520 178.318 176.870 -0.120 0.000 1.078 337 L CA 1.638 56.349 54.840 -0.215 0.000 0.805 337 L CB -2.005 39.842 42.059 -0.354 0.000 0.963 337 L HN 0.634 nan 8.230 nan 0.000 0.459 338 G N 0.392 109.132 108.800 -0.099 0.000 2.828 338 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.463 338 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.463 338 G C -1.684 173.187 174.900 -0.050 0.000 1.394 338 G CA -0.098 44.966 45.100 -0.060 0.000 0.862 338 G HN 0.129 nan 8.290 nan 0.000 0.540 339 P HA -0.078 nan 4.420 nan 0.000 0.216 339 P C 1.305 178.595 177.300 -0.016 0.000 1.153 339 P CA 1.987 65.073 63.100 -0.023 0.000 0.848 339 P CB 0.163 31.851 31.700 -0.020 0.000 0.787 340 E N 0.407 120.596 120.200 -0.018 0.000 2.072 340 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 340 E C 2.356 178.947 176.600 -0.015 0.000 0.982 340 E CA 1.657 58.050 56.400 -0.012 0.000 0.803 340 E CB -1.437 28.256 29.700 -0.012 0.000 0.755 340 E HN 0.166 nan 8.360 nan 0.000 0.453 341 G N 0.806 109.586 108.800 -0.032 0.000 2.440 341 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 341 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 341 G C 1.542 176.419 174.900 -0.039 0.000 1.154 341 G CA 1.012 46.085 45.100 -0.045 0.000 0.767 341 G HN 0.349 nan 8.290 nan 0.000 0.552 342 L N 0.278 121.478 121.223 -0.038 0.000 2.093 342 L HA 0.160 4.500 4.340 -0.000 0.000 0.208 342 L C 2.762 179.658 176.870 0.042 0.000 1.085 342 L CA 1.851 56.693 54.840 0.003 0.000 0.755 342 L CB -0.430 41.637 42.059 0.012 0.000 0.904 342 L HN 0.220 nan 8.230 nan 0.000 0.435 343 R N -0.402 120.117 120.500 0.031 0.000 2.081 343 R HA -0.185 4.154 4.340 -0.000 0.000 0.235 343 R C 2.127 178.452 176.300 0.043 0.000 1.131 343 R CA 1.924 58.051 56.100 0.046 0.000 0.960 343 R CB -0.192 30.126 30.300 0.029 0.000 0.856 343 R HN 0.512 nan 8.270 nan 0.000 0.436 344 E N -0.383 119.832 120.200 0.025 0.000 2.077 344 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 344 E C 2.022 178.644 176.600 0.036 0.000 0.989 344 E CA 1.581 57.994 56.400 0.021 0.000 0.800 344 E CB -0.010 29.696 29.700 0.010 0.000 0.746 344 E HN 0.159 nan 8.360 nan 0.000 0.452 345 V N 1.525 121.472 119.914 0.054 0.000 2.295 345 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 345 V C 2.373 178.528 176.094 0.102 0.000 1.049 345 V CA 1.924 64.279 62.300 0.092 0.000 1.024 345 V CB -0.805 31.095 31.823 0.127 0.000 0.648 345 V HN 0.335 nan 8.190 nan 0.000 0.447 346 A N -0.291 122.594 122.820 0.108 0.000 1.883 346 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 346 A C 2.237 179.823 177.584 0.002 0.000 1.186 346 A CA 1.994 54.111 52.037 0.132 0.000 0.624 346 A CB -0.616 18.525 19.000 0.235 0.000 0.822 346 A HN 0.495 nan 8.150 nan 0.000 0.444 347 L N -0.899 120.323 121.223 -0.001 0.000 2.046 347 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 347 L C 2.645 179.465 176.870 -0.083 0.000 1.077 347 L CA 1.880 56.678 54.840 -0.070 0.000 0.747 347 L CB -0.389 41.651 42.059 -0.032 0.000 0.896 347 L HN 0.388 nan 8.230 nan 0.000 0.432 348 K N 0.600 120.988 120.400 -0.020 0.000 2.097 348 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 348 K C 2.255 178.863 176.600 0.014 0.000 1.049 348 K CA 1.944 58.233 56.287 0.003 0.000 0.933 348 K CB -0.396 32.125 32.500 0.035 0.000 0.717 348 K HN 0.357 nan 8.250 nan 0.000 0.442 349 S N -0.664 115.052 115.700 0.027 0.000 2.383 349 S HA -0.096 4.374 4.470 -0.000 0.000 0.227 349 S C 2.048 176.637 174.600 -0.018 0.000 1.026 349 S CA 1.248 59.485 58.200 0.062 0.000 0.981 349 S CB -0.697 62.590 63.200 0.146 0.000 0.818 349 S HN 0.052 nan 8.310 nan 0.000 0.472 350 V N 2.423 122.207 119.914 -0.217 0.000 2.358 350 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 350 V C 2.842 178.761 176.094 -0.292 0.000 1.047 350 V CA 2.166 64.242 62.300 -0.373 0.000 1.035 350 V CB -0.904 30.511 31.823 -0.680 0.000 0.658 350 V HN 0.663 nan 8.190 nan 0.000 0.452 351 E N -0.167 119.900 120.200 -0.221 0.000 2.038 351 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 351 E C 2.266 178.880 176.600 0.023 0.000 1.000 351 E CA 1.685 58.003 56.400 -0.136 0.000 0.803 351 E CB -0.096 29.558 29.700 -0.076 0.000 0.750 351 E HN 0.362 nan 8.360 nan 0.000 0.448 352 M N 0.321 119.971 119.600 0.083 0.000 2.229 352 M HA -0.056 4.424 4.480 -0.000 0.000 0.264 352 M C 2.354 178.808 176.300 0.257 0.000 1.063 352 M CA 1.345 56.747 55.300 0.170 0.000 1.114 352 M CB -1.100 31.629 32.600 0.215 0.000 1.387 352 M HN 0.254 nan 8.290 nan 0.000 0.420 353 A N -0.512 122.497 122.820 0.315 0.000 1.898 353 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 353 A C 2.008 179.950 177.584 0.597 0.000 1.181 353 A CA 1.336 53.694 52.037 0.536 0.000 0.620 353 A CB -1.035 18.317 19.000 0.587 0.000 0.819 353 A HN 0.566 nan 8.150 nan 0.000 0.442 354 H N -0.494 118.725 119.070 0.248 0.000 2.357 354 H HA -0.059 4.497 4.556 -0.000 0.000 0.301 354 H C 2.065 177.451 175.328 0.097 0.000 1.082 354 H CA 1.360 57.495 56.048 0.145 0.000 1.342 354 H CB 0.023 29.751 29.762 -0.056 0.000 1.389 354 H HN 0.440 nan 8.280 nan 0.000 0.511 355 K N 0.521 121.048 120.400 0.210 0.000 2.063 355 K HA -0.164 4.155 4.320 -0.000 0.000 0.208 355 K C 2.202 178.845 176.600 0.071 0.000 1.048 355 K CA 1.061 57.414 56.287 0.111 0.000 0.928 355 K CB -0.140 32.415 32.500 0.091 0.000 0.713 355 K HN 0.059 nan 8.250 nan 0.000 0.442 356 L N 0.844 122.136 121.223 0.115 0.000 2.056 356 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 356 L C 2.365 179.205 176.870 -0.051 0.000 1.078 356 L CA 1.810 56.677 54.840 0.045 0.000 0.749 356 L CB -0.685 41.465 42.059 0.152 0.000 0.901 356 L HN 0.303 nan 8.230 nan 0.000 0.433 357 H N -0.176 118.732 119.070 -0.269 0.000 2.319 357 H HA -0.170 4.386 4.556 -0.000 0.000 0.299 357 H C 1.890 176.991 175.328 -0.379 0.000 1.092 357 H CA 1.807 57.400 56.048 -0.759 0.000 1.302 357 H CB 0.169 29.328 29.762 -1.006 0.000 1.373 357 H HN 0.477 nan 8.280 nan 0.000 0.497 358 A N 1.184 123.945 122.820 -0.099 0.000 1.902 358 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 358 A C 2.923 180.413 177.584 -0.156 0.000 1.181 358 A CA 1.180 53.162 52.037 -0.093 0.000 0.623 358 A CB -0.772 18.223 19.000 -0.008 0.000 0.818 358 A HN 0.415 nan 8.150 nan 0.000 0.443 359 L N -1.102 120.032 121.223 -0.148 0.000 1.994 359 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 359 L C 2.355 179.096 176.870 -0.214 0.000 1.071 359 L CA 0.774 55.520 54.840 -0.156 0.000 0.745 359 L CB -0.569 41.405 42.059 -0.142 0.000 0.892 359 L HN 0.267 nan 8.230 nan 0.000 0.431 360 L N -0.744 120.305 121.223 -0.290 0.000 2.191 360 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 360 L C 2.229 178.921 176.870 -0.298 0.000 1.103 360 L CA 1.367 56.004 54.840 -0.338 0.000 0.769 360 L CB -0.847 40.927 42.059 -0.474 0.000 0.908 360 L HN 0.161 nan 8.230 nan 0.000 0.438 361 L N -0.747 120.280 121.223 -0.325 0.000 2.456 361 L HA -0.129 4.211 4.340 -0.000 0.000 0.224 361 L C 2.256 179.022 176.870 -0.173 0.000 1.148 361 L CA 1.248 55.924 54.840 -0.272 0.000 0.825 361 L CB -0.612 41.257 42.059 -0.316 0.000 0.937 361 L HN 0.380 nan 8.230 nan 0.000 0.450 362 E N -1.495 118.610 120.200 -0.158 0.000 2.371 362 E HA 0.012 4.362 4.350 -0.000 0.000 0.194 362 E C 0.447 176.983 176.600 -0.105 0.000 1.012 362 E CA -0.067 56.264 56.400 -0.114 0.000 0.860 362 E CB 0.239 29.877 29.700 -0.103 0.000 0.811 362 E HN 0.152 nan 8.360 nan 0.000 0.502 363 V N 4.994 124.832 119.914 -0.126 0.000 2.485 363 V HA 0.027 4.147 4.120 -0.000 0.000 0.287 363 V C -1.937 174.106 176.094 -0.086 0.000 1.022 363 V CA -1.276 60.958 62.300 -0.109 0.000 1.067 363 V CB 0.054 31.799 31.823 -0.131 0.000 0.967 363 V HN 0.079 nan 8.190 nan 0.000 0.479 364 P HA 0.072 nan 4.420 nan 0.000 0.262 364 P C 0.955 178.229 177.300 -0.044 0.000 1.182 364 P CA 1.364 64.434 63.100 -0.050 0.000 0.761 364 P CB 0.708 32.383 31.700 -0.041 0.000 0.795 365 G N 1.801 110.579 108.800 -0.036 0.000 2.268 365 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.240 365 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.240 365 G C 0.011 174.895 174.900 -0.027 0.000 1.010 365 G CA -0.037 45.047 45.100 -0.026 0.000 0.618 365 G HN 0.557 nan 8.290 nan 0.000 0.516 366 V N 1.598 121.484 119.914 -0.046 0.000 2.470 366 V HA 0.635 4.755 4.120 -0.000 0.000 0.276 366 V C 0.749 176.813 176.094 -0.051 0.000 1.040 366 V CA 0.195 62.462 62.300 -0.054 0.000 1.008 366 V CB 1.195 32.957 31.823 -0.102 0.000 0.990 366 V HN 0.469 nan 8.190 nan 0.000 0.477 367 R N 6.570 127.060 120.500 -0.017 0.000 2.803 367 R HA 0.595 4.935 4.340 -0.000 0.000 0.276 367 R C -2.668 173.651 176.300 0.032 0.000 0.978 367 R CA -1.905 54.196 56.100 0.002 0.000 0.939 367 R CB 2.475 32.797 30.300 0.037 0.000 1.179 367 R HN 0.433 nan 8.270 nan 0.000 0.472 368 P HA 0.140 nan 4.420 nan 0.000 0.276 368 P C -0.777 176.640 177.300 0.195 0.000 1.244 368 P CA 0.085 63.240 63.100 0.092 0.000 0.801 368 P CB 0.959 32.713 31.700 0.090 0.000 1.006 369 F N -0.411 119.578 119.950 0.064 0.000 2.083 369 F HA 0.176 4.703 4.527 -0.000 0.000 0.259 369 F C 0.532 176.365 175.800 0.055 0.000 0.953 369 F CA 0.454 58.487 58.000 0.054 0.000 1.156 369 F CB -0.192 38.836 39.000 0.047 0.000 1.297 369 F HN 0.060 nan 8.300 nan 0.000 0.733 370 T N 5.462 120.108 114.554 0.154 0.000 2.817 370 T HA 0.196 4.546 4.350 -0.000 0.000 0.295 370 T C -2.390 172.321 174.700 0.018 0.000 0.958 370 T CA -0.756 61.370 62.100 0.044 0.000 1.157 370 T CB 0.604 69.491 68.868 0.032 0.000 0.898 370 T HN 0.074 nan 8.240 nan 0.000 0.536 371 P HA 0.370 nan 4.420 nan 0.000 0.276 371 P C -0.728 176.655 177.300 0.139 0.000 1.252 371 P CA -0.834 62.288 63.100 0.037 0.000 0.802 371 P CB 0.922 32.612 31.700 -0.017 0.000 1.035 372 K N 1.476 121.922 120.400 0.076 0.000 2.144 372 K HA 0.415 4.735 4.320 -0.000 0.000 0.270 372 K C -1.744 174.860 176.600 0.006 0.000 1.005 372 K CA -1.515 54.771 56.287 -0.001 0.000 0.932 372 K CB -0.680 31.758 32.500 -0.103 0.000 1.021 372 K HN 0.431 nan 8.250 nan 0.000 0.462 373 P HA 0.310 nan 4.420 nan 0.000 0.288 373 P C -1.163 176.172 177.300 0.058 0.000 1.267 373 P CA -0.596 62.465 63.100 -0.065 0.000 0.815 373 P CB 0.639 32.333 31.700 -0.011 0.000 0.989 374 F N 0.652 120.629 119.950 0.045 0.000 2.618 374 F HA 0.628 5.155 4.527 -0.000 0.000 0.332 374 F C 0.100 176.102 175.800 0.336 0.000 1.061 374 F CA -1.268 56.811 58.000 0.132 0.000 0.974 374 F CB 0.225 39.252 39.000 0.045 0.000 1.310 374 F HN 0.169 nan 8.300 nan 0.000 0.491 375 F N 1.060 121.292 119.950 0.470 0.000 2.646 375 F HA 0.307 4.834 4.527 -0.000 0.000 0.180 375 F C 1.712 177.807 175.800 0.492 0.000 1.185 375 F CA 0.535 58.753 58.000 0.363 0.000 0.926 375 F CB -0.136 38.996 39.000 0.220 0.000 1.668 375 F HN 0.638 nan 8.300 nan 0.000 0.658 376 N N -0.619 118.279 118.700 0.331 0.000 2.235 376 N HA 0.152 4.892 4.740 -0.000 0.000 0.209 376 N C -0.782 174.917 175.510 0.315 0.000 1.122 376 N CA 0.034 53.233 53.050 0.248 0.000 0.845 376 N CB 0.563 39.123 38.487 0.121 0.000 1.004 376 N HN 0.350 nan 8.380 nan 0.000 0.499 377 E N 0.590 120.987 120.200 0.329 0.000 2.367 377 E HA 0.444 4.794 4.350 -0.000 0.000 0.273 377 E C -1.644 174.986 176.600 0.050 0.000 0.903 377 E CA -0.927 55.510 56.400 0.062 0.000 0.764 377 E CB 2.146 31.829 29.700 -0.027 0.000 1.252 377 E HN 0.228 nan 8.360 nan 0.000 0.446 378 F N -0.997 118.870 119.950 -0.138 0.000 2.688 378 F HA 0.751 5.278 4.527 -0.000 0.000 0.308 378 F C -1.520 174.200 175.800 -0.133 0.000 1.117 378 F CA -1.187 56.624 58.000 -0.315 0.000 0.976 378 F CB 0.719 39.223 39.000 -0.827 0.000 1.291 378 F HN 0.431 nan 8.300 nan 0.000 0.439 379 A N 3.540 126.413 122.820 0.087 0.000 2.324 379 A HA 0.895 5.215 4.320 -0.000 0.000 0.330 379 A C -1.254 176.500 177.584 0.283 0.000 1.165 379 A CA -0.782 51.306 52.037 0.085 0.000 0.813 379 A CB 1.015 20.008 19.000 -0.012 0.000 1.197 379 A HN 0.849 nan 8.150 nan 0.000 0.484 380 L N 0.973 122.351 121.223 0.258 0.000 2.323 380 L HA 0.750 5.090 4.340 -0.000 0.000 0.265 380 L C 0.346 177.292 176.870 0.128 0.000 1.012 380 L CA -0.967 54.013 54.840 0.233 0.000 0.820 380 L CB 2.167 44.362 42.059 0.227 0.000 1.334 380 L HN 0.755 nan 8.230 nan 0.000 0.427 381 A N 2.606 125.493 122.820 0.111 0.000 2.252 381 A HA 0.710 5.030 4.320 -0.000 0.000 0.309 381 A C -0.610 176.997 177.584 0.040 0.000 1.285 381 A CA -0.375 51.691 52.037 0.049 0.000 0.900 381 A CB 0.187 19.242 19.000 0.093 0.000 1.157 381 A HN 0.575 nan 8.150 nan 0.000 0.536 382 L N 4.123 125.361 121.223 0.025 0.000 2.344 382 L HA 0.466 4.805 4.340 -0.000 0.000 0.272 382 L C -1.215 175.660 176.870 0.009 0.000 1.035 382 L CA -1.960 52.896 54.840 0.025 0.000 0.807 382 L CB 1.961 44.047 42.059 0.045 0.000 1.237 382 L HN 0.553 nan 8.230 nan 0.000 0.442 383 P HA 0.012 nan 4.420 nan 0.000 0.241 383 P C -0.207 177.093 177.300 -0.000 0.000 1.191 383 P CA 0.870 63.969 63.100 -0.001 0.000 0.771 383 P CB 0.503 32.199 31.700 -0.006 0.000 0.929 384 K N 0.098 120.499 120.400 0.002 0.000 2.400 384 K HA 0.274 4.594 4.320 -0.000 0.000 0.246 384 K C -0.838 175.762 176.600 0.001 0.000 0.995 384 K CA -0.914 55.374 56.287 0.002 0.000 0.840 384 K CB 1.262 33.765 32.500 0.004 0.000 1.293 384 K HN -0.264 nan 8.250 nan 0.000 0.445 385 D N 2.517 122.916 120.400 -0.001 0.000 2.487 385 D HA -0.033 4.607 4.640 -0.000 0.000 0.243 385 D C -1.264 175.032 176.300 -0.006 0.000 1.154 385 D CA -1.196 52.801 54.000 -0.005 0.000 0.876 385 D CB 0.911 41.709 40.800 -0.002 0.000 1.161 385 D HN 0.127 nan 8.370 nan 0.000 0.478 386 P HA -0.226 nan 4.420 nan 0.000 0.215 386 P C 0.759 178.044 177.300 -0.024 0.000 1.157 386 P CA 1.434 64.515 63.100 -0.031 0.000 0.874 386 P CB 0.178 31.842 31.700 -0.059 0.000 0.790 387 E N 0.012 120.203 120.200 -0.014 0.000 2.077 387 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 387 E C 2.296 178.902 176.600 0.010 0.000 0.989 387 E CA 1.245 57.644 56.400 -0.001 0.000 0.800 387 E CB -0.520 29.183 29.700 0.005 0.000 0.746 387 E HN 0.213 nan 8.360 nan 0.000 0.452 388 A N 0.974 123.799 122.820 0.009 0.000 1.902 388 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 388 A C 2.499 180.094 177.584 0.019 0.000 1.181 388 A CA 1.094 53.140 52.037 0.014 0.000 0.623 388 A CB -0.563 18.443 19.000 0.010 0.000 0.818 388 A HN 0.112 nan 8.150 nan 0.000 0.443 389 V N 0.030 119.954 119.914 0.017 0.000 2.358 389 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 389 V C 2.634 178.750 176.094 0.038 0.000 1.047 389 V CA 2.192 64.508 62.300 0.028 0.000 1.035 389 V CB -0.798 31.046 31.823 0.036 0.000 0.658 389 V HN 0.684 nan 8.190 nan 0.000 0.452 390 R N 0.111 120.627 120.500 0.026 0.000 2.081 390 R HA -0.191 4.149 4.340 -0.000 0.000 0.235 390 R C 2.526 178.868 176.300 0.068 0.000 1.131 390 R CA 1.846 57.972 56.100 0.043 0.000 0.960 390 R CB -0.272 30.043 30.300 0.024 0.000 0.856 390 R HN 0.400 nan 8.270 nan 0.000 0.436 391 R N -0.083 120.449 120.500 0.053 0.000 2.066 391 R HA -0.087 4.252 4.340 -0.000 0.000 0.232 391 R C 2.154 178.486 176.300 0.054 0.000 1.131 391 R CA 1.491 57.625 56.100 0.055 0.000 0.955 391 R CB -0.323 30.003 30.300 0.042 0.000 0.851 391 R HN 0.318 nan 8.270 nan 0.000 0.432 392 A N 0.935 123.783 122.820 0.046 0.000 1.940 392 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 392 A C 1.997 179.619 177.584 0.063 0.000 1.176 392 A CA 1.048 53.112 52.037 0.044 0.000 0.631 392 A CB -0.467 18.550 19.000 0.029 0.000 0.814 392 A HN 0.298 nan 8.150 nan 0.000 0.446 393 L N -0.566 120.703 121.223 0.077 0.000 2.093 393 L HA -0.048 4.291 4.340 -0.000 0.000 0.208 393 L C 2.860 179.829 176.870 0.166 0.000 1.085 393 L CA 1.828 56.740 54.840 0.121 0.000 0.755 393 L CB -0.931 41.206 42.059 0.130 0.000 0.904 393 L HN 0.388 nan 8.230 nan 0.000 0.435 394 A N -0.994 121.887 122.820 0.101 0.000 1.930 394 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 394 A C 2.101 179.699 177.584 0.024 0.000 1.175 394 A CA 1.421 53.476 52.037 0.030 0.000 0.627 394 A CB -0.472 18.557 19.000 0.049 0.000 0.815 394 A HN 0.537 nan 8.150 nan 0.000 0.443 395 E N -0.455 119.775 120.200 0.051 0.000 2.265 395 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 395 E C 1.646 178.282 176.600 0.059 0.000 0.996 395 E CA 0.777 57.203 56.400 0.043 0.000 0.832 395 E CB -0.115 29.610 29.700 0.042 0.000 0.756 395 E HN 0.521 nan 8.360 nan 0.000 0.491 396 R N -0.564 120.005 120.500 0.116 0.000 2.359 396 R HA 0.107 4.447 4.340 -0.000 0.000 0.231 396 R C 0.851 177.254 176.300 0.172 0.000 0.913 396 R CA 0.453 56.667 56.100 0.190 0.000 1.075 396 R CB 0.785 31.252 30.300 0.280 0.000 1.087 396 R HN 0.218 nan 8.270 nan 0.000 0.515 397 G N 0.525 109.337 108.800 0.019 0.000 2.141 397 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 397 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 397 G C -0.182 174.479 174.900 -0.399 0.000 0.982 397 G CA -0.337 44.636 45.100 -0.211 0.000 0.662 397 G HN 0.190 nan 8.290 nan 0.000 0.527 398 F N 0.983 120.888 119.950 -0.075 0.000 2.469 398 F HA 0.620 5.147 4.527 -0.000 0.000 0.332 398 F C 0.456 176.235 175.800 -0.034 0.000 1.103 398 F CA -1.085 56.916 58.000 0.002 0.000 0.979 398 F CB 1.467 40.525 39.000 0.096 0.000 1.137 398 F HN -0.003 nan 8.300 nan 0.000 0.463 399 H N 1.837 121.097 119.070 0.317 0.000 2.597 399 H HA 0.676 5.232 4.556 -0.000 0.000 0.303 399 H C 0.204 175.694 175.328 0.270 0.000 1.057 399 H CA -0.567 55.612 56.048 0.217 0.000 1.261 399 H CB 1.081 30.923 29.762 0.133 0.000 1.397 399 H HN 0.839 nan 8.280 nan 0.000 0.461 400 G N 0.394 109.381 108.800 0.310 0.000 2.506 400 G HA2 0.473 4.433 3.960 -0.000 0.000 0.292 400 G HA3 0.473 4.433 3.960 -0.000 0.000 0.292 400 G C -1.029 173.839 174.900 -0.053 0.000 1.425 400 G CA -0.085 45.133 45.100 0.197 0.000 0.788 400 G HN 0.672 nan 8.290 nan 0.000 0.490 401 A N -0.484 122.020 122.820 -0.527 0.000 2.482 401 A HA 0.101 4.421 4.320 -0.000 0.000 0.283 401 A C 0.378 177.715 177.584 -0.412 0.000 1.411 401 A CA 0.800 52.403 52.037 -0.723 0.000 0.725 401 A CB -2.162 16.696 19.000 -0.237 0.000 1.140 401 A HN 1.816 nan 8.150 nan 0.000 0.375 402 T N 4.571 118.849 114.554 -0.461 0.000 2.738 402 T HA 0.461 4.811 4.350 -0.000 0.000 0.293 402 T C -1.808 172.757 174.700 -0.226 0.000 0.913 402 T CA -0.089 61.857 62.100 -0.256 0.000 1.103 402 T CB 0.539 69.264 68.868 -0.239 0.000 0.880 402 T HN 0.598 nan 8.240 nan 0.000 0.526 403 P HA 0.084 nan 4.420 nan 0.000 0.264 403 P C -0.558 176.712 177.300 -0.049 0.000 1.193 403 P CA -0.158 62.890 63.100 -0.087 0.000 0.763 403 P CB 0.497 32.173 31.700 -0.040 0.000 0.810 404 V N 6.691 126.572 119.914 -0.056 0.000 2.407 404 V HA 0.242 4.362 4.120 -0.000 0.000 0.278 404 V C -1.578 174.565 176.094 0.082 0.000 1.037 404 V CA -1.913 60.399 62.300 0.021 0.000 0.900 404 V CB 0.974 32.745 31.823 -0.086 0.000 0.983 404 V HN 0.574 nan 8.190 nan 0.000 0.459 405 P HA 0.110 nan 4.420 nan 0.000 0.266 405 P C 0.297 177.672 177.300 0.124 0.000 1.195 405 P CA -0.264 62.908 63.100 0.120 0.000 0.768 405 P CB 0.903 32.665 31.700 0.102 0.000 0.838 406 R N 1.891 122.415 120.500 0.040 0.000 2.211 406 R HA -0.194 4.146 4.340 -0.000 0.000 0.240 406 R C 2.166 178.462 176.300 -0.007 0.000 1.144 406 R CA 1.844 57.951 56.100 0.011 0.000 0.992 406 R CB -0.769 29.527 30.300 -0.007 0.000 0.869 406 R HN 0.672 nan 8.270 nan 0.000 0.462 407 E N -1.371 118.796 120.200 -0.055 0.000 2.267 407 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 407 E C 0.821 177.290 176.600 -0.218 0.000 0.998 407 E CA 1.283 57.581 56.400 -0.170 0.000 0.830 407 E CB -0.279 29.246 29.700 -0.292 0.000 0.751 407 E HN 0.456 nan 8.360 nan 0.000 0.491 408 Y N 0.702 120.999 120.300 -0.004 0.000 2.476 408 Y HA 0.329 4.879 4.550 -0.000 0.000 0.283 408 Y C 1.272 177.149 175.900 -0.037 0.000 1.109 408 Y CA 0.701 58.816 58.100 0.026 0.000 1.246 408 Y CB 1.227 39.709 38.460 0.036 0.000 1.068 408 Y HN 0.242 nan 8.280 nan 0.000 0.552 409 G N -0.606 108.214 108.800 0.032 0.000 2.356 409 G HA2 0.118 4.078 3.960 -0.000 0.000 0.300 409 G HA3 0.118 4.078 3.960 -0.000 0.000 0.300 409 G C -1.718 173.124 174.900 -0.097 0.000 1.331 409 G CA -1.117 43.940 45.100 -0.070 0.000 0.905 409 G HN -0.226 nan 8.290 nan 0.000 0.587 410 E N 1.035 121.182 120.200 -0.088 0.000 2.277 410 E HA 0.341 4.691 4.350 -0.000 0.000 0.274 410 E C 0.344 176.889 176.600 -0.091 0.000 1.022 410 E CA -0.644 55.717 56.400 -0.065 0.000 0.853 410 E CB 0.801 30.485 29.700 -0.027 0.000 1.086 410 E HN 0.554 nan 8.360 nan 0.000 0.397 411 N N 1.125 119.786 118.700 -0.065 0.000 2.716 411 N HA -0.223 4.517 4.740 -0.000 0.000 0.250 411 N C -0.693 174.764 175.510 -0.088 0.000 1.033 411 N CA 0.668 53.683 53.050 -0.058 0.000 0.727 411 N CB -1.175 37.293 38.487 -0.032 0.000 0.950 411 N HN 0.379 nan 8.380 nan 0.000 0.541 412 L N 0.068 121.208 121.223 -0.138 0.000 2.309 412 L HA 0.733 5.073 4.340 -0.000 0.000 0.282 412 L C 0.591 177.374 176.870 -0.146 0.000 1.036 412 L CA -0.589 54.139 54.840 -0.186 0.000 0.806 412 L CB 1.755 43.607 42.059 -0.345 0.000 1.220 412 L HN 0.170 nan 8.230 nan 0.000 0.429 413 A N 4.072 126.813 122.820 -0.133 0.000 2.422 413 A HA 0.749 5.069 4.320 -0.000 0.000 0.302 413 A C -1.036 176.340 177.584 -0.347 0.000 1.041 413 A CA -0.521 51.370 52.037 -0.243 0.000 0.708 413 A CB 1.378 20.234 19.000 -0.239 0.000 1.257 413 A HN 0.624 nan 8.150 nan 0.000 0.414 414 L N 1.482 122.394 121.223 -0.518 0.000 2.325 414 L HA 0.647 4.987 4.340 -0.000 0.000 0.279 414 L C -1.084 175.282 176.870 -0.840 0.000 1.054 414 L CA -0.246 54.258 54.840 -0.560 0.000 0.804 414 L CB 1.140 42.879 42.059 -0.534 0.000 1.200 414 L HN 0.701 nan 8.230 nan 0.000 0.436 415 F N 1.154 120.733 119.950 -0.618 0.000 2.576 415 F HA 0.777 5.304 4.527 -0.000 0.000 0.313 415 F C 0.119 175.547 175.800 -0.619 0.000 1.078 415 F CA -0.568 57.078 58.000 -0.590 0.000 0.921 415 F CB 2.089 40.645 39.000 -0.740 0.000 1.232 415 F HN 0.421 nan 8.300 nan 0.000 0.459 416 A N 1.209 124.005 122.820 -0.040 0.000 2.556 416 A HA 0.988 5.308 4.320 -0.000 0.000 0.294 416 A C -1.705 176.040 177.584 0.268 0.000 1.091 416 A CA -0.570 51.494 52.037 0.046 0.000 0.704 416 A CB 1.605 20.613 19.000 0.014 0.000 1.300 416 A HN 1.185 nan 8.150 nan 0.000 0.406 417 A N 0.154 123.148 122.820 0.290 0.000 2.498 417 A HA 0.948 5.268 4.320 -0.000 0.000 0.298 417 A C -0.077 177.683 177.584 0.294 0.000 1.075 417 A CA 0.134 52.436 52.037 0.441 0.000 0.714 417 A CB 1.364 20.621 19.000 0.427 0.000 1.299 417 A HN 2.137 nan 8.150 nan 0.000 0.407 418 T N -1.913 112.807 114.554 0.278 0.000 2.773 418 T HA 0.524 4.874 4.350 -0.000 0.000 0.278 418 T C 0.743 175.450 174.700 0.012 0.000 1.011 418 T CA 0.239 62.308 62.100 -0.052 0.000 1.014 418 T CB 1.193 69.770 68.868 -0.485 0.000 1.293 418 T HN 0.744 nan 8.240 nan 0.000 0.554 419 E N 0.797 121.025 120.200 0.047 0.000 2.409 419 E HA -0.082 4.268 4.350 -0.000 0.000 0.198 419 E C 1.442 178.041 176.600 -0.001 0.000 1.024 419 E CA 0.928 57.366 56.400 0.063 0.000 0.861 419 E CB -0.638 29.132 29.700 0.117 0.000 0.788 419 E HN 0.661 nan 8.360 nan 0.000 0.521 420 L N -1.286 119.865 121.223 -0.121 0.000 2.628 420 L HA 0.394 4.734 4.340 -0.000 0.000 0.229 420 L C 0.218 177.007 176.870 -0.135 0.000 1.137 420 L CA -0.348 54.408 54.840 -0.141 0.000 0.909 420 L CB -1.120 40.829 42.059 -0.183 0.000 1.137 420 L HN -0.100 nan 8.230 nan 0.000 0.470 421 H N 0.652 119.721 119.070 -0.002 0.000 2.489 421 H HA 0.552 5.108 4.556 -0.000 0.000 0.322 421 H C -0.284 175.098 175.328 0.091 0.000 1.091 421 H CA -0.503 55.572 56.048 0.046 0.000 1.291 421 H CB 1.204 31.024 29.762 0.096 0.000 1.436 421 H HN 0.311 nan 8.280 nan 0.000 0.480 422 E N 1.746 122.097 120.200 0.251 0.000 2.299 422 E HA 0.033 4.383 4.350 -0.000 0.000 0.260 422 E C 0.515 177.214 176.600 0.165 0.000 0.944 422 E CA -0.693 55.807 56.400 0.167 0.000 0.815 422 E CB 1.846 31.619 29.700 0.122 0.000 1.252 422 E HN 0.601 nan 8.360 nan 0.000 0.418 423 E N 1.534 121.802 120.200 0.115 0.000 2.086 423 E HA -0.282 4.068 4.350 -0.000 0.000 0.200 423 E C 1.672 178.328 176.600 0.093 0.000 1.012 423 E CA 2.370 58.823 56.400 0.090 0.000 0.812 423 E CB -0.056 29.680 29.700 0.061 0.000 0.743 423 E HN 0.625 nan 8.360 nan 0.000 0.453 424 E N -0.224 120.035 120.200 0.099 0.000 2.209 424 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 424 E C 1.332 178.022 176.600 0.149 0.000 0.993 424 E CA 1.459 57.921 56.400 0.103 0.000 0.819 424 E CB -0.227 29.530 29.700 0.095 0.000 0.745 424 E HN 0.303 nan 8.360 nan 0.000 0.477 425 D N 1.312 121.836 120.400 0.206 0.000 2.123 425 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 425 D C 2.270 178.739 176.300 0.282 0.000 0.976 425 D CA 0.870 55.068 54.000 0.329 0.000 0.831 425 D CB -0.122 40.940 40.800 0.436 0.000 0.974 425 D HN 0.271 nan 8.370 nan 0.000 0.469 426 L N 0.242 121.553 121.223 0.146 0.000 2.017 426 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 426 L C 2.413 179.210 176.870 -0.121 0.000 1.073 426 L CA 0.566 55.354 54.840 -0.086 0.000 0.745 426 L CB -0.431 41.610 42.059 -0.030 0.000 0.894 426 L HN 0.027 nan 8.230 nan 0.000 0.432 427 L N 0.270 121.475 121.223 -0.029 0.000 2.046 427 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 427 L C 2.819 179.660 176.870 -0.048 0.000 1.077 427 L CA 2.013 56.827 54.840 -0.043 0.000 0.747 427 L CB -1.220 40.838 42.059 -0.001 0.000 0.896 427 L HN 0.176 nan 8.230 nan 0.000 0.432 428 A N -0.963 121.882 122.820 0.041 0.000 1.902 428 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 428 A C 2.268 179.753 177.584 -0.166 0.000 1.181 428 A CA 1.793 53.894 52.037 0.107 0.000 0.623 428 A CB -0.803 18.427 19.000 0.383 0.000 0.818 428 A HN 0.348 nan 8.150 nan 0.000 0.443 429 L N -0.111 120.984 121.223 -0.212 0.000 2.027 429 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 429 L C 2.458 179.034 176.870 -0.490 0.000 1.074 429 L CA 2.398 56.919 54.840 -0.532 0.000 0.745 429 L CB -0.617 41.068 42.059 -0.622 0.000 0.898 429 L HN 0.472 nan 8.230 nan 0.000 0.433 430 R N -0.683 119.602 120.500 -0.358 0.000 2.091 430 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 430 R C 2.067 178.218 176.300 -0.249 0.000 1.136 430 R CA 1.641 57.566 56.100 -0.292 0.000 0.959 430 R CB -0.191 29.975 30.300 -0.225 0.000 0.856 430 R HN 0.406 nan 8.270 nan 0.000 0.437 431 E N 0.355 120.422 120.200 -0.222 0.000 2.077 431 E HA -0.164 4.185 4.350 -0.000 0.000 0.193 431 E C 1.864 178.335 176.600 -0.215 0.000 0.989 431 E CA 1.367 57.664 56.400 -0.172 0.000 0.800 431 E CB -0.304 29.331 29.700 -0.109 0.000 0.746 431 E HN 0.488 nan 8.360 nan 0.000 0.452 432 A N 1.145 123.738 122.820 -0.378 0.000 1.898 432 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 432 A C 2.246 179.670 177.584 -0.267 0.000 1.181 432 A CA 1.214 53.006 52.037 -0.408 0.000 0.620 432 A CB -0.578 17.844 19.000 -0.963 0.000 0.819 432 A HN 0.248 nan 8.150 nan 0.000 0.442 433 L N 0.156 121.212 121.223 -0.279 0.000 2.046 433 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 433 L C 2.259 179.051 176.870 -0.130 0.000 1.077 433 L CA 2.591 57.327 54.840 -0.174 0.000 0.747 433 L CB -0.585 41.356 42.059 -0.197 0.000 0.896 433 L HN 0.469 nan 8.230 nan 0.000 0.432 434 K N -0.526 119.789 120.400 -0.142 0.000 2.103 434 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 434 K C 1.957 178.510 176.600 -0.077 0.000 1.048 434 K CA 1.926 58.151 56.287 -0.104 0.000 0.930 434 K CB -0.101 32.338 32.500 -0.102 0.000 0.716 434 K HN 0.520 nan 8.250 nan 0.000 0.444 435 E N 0.049 120.200 120.200 -0.081 0.000 2.047 435 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 435 E C 2.006 178.582 176.600 -0.039 0.000 0.987 435 E CA 1.510 57.878 56.400 -0.053 0.000 0.799 435 E CB -0.029 29.642 29.700 -0.049 0.000 0.752 435 E HN 0.340 nan 8.360 nan 0.000 0.449 436 V N -0.189 119.699 119.914 -0.045 0.000 2.407 436 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 436 V C 1.191 177.273 176.094 -0.020 0.000 1.055 436 V CA 0.788 63.074 62.300 -0.023 0.000 1.049 436 V CB -0.448 31.365 31.823 -0.017 0.000 0.662 436 V HN -0.036 nan 8.190 nan 0.000 0.455 437 L N 0.000 121.204 121.223 -0.031 0.000 2.949 437 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 437 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 437 L CB 0.000 42.038 42.059 -0.035 0.000 0.961 437 L HN 0.000 nan 8.230 nan 0.000 0.502