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 1dd8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD 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 0.000 176.306 176.300 0.011 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 K N 1.804 122.208 120.400 0.007 0.000 2.319 2 K HA 0.382 4.702 4.320 -0.000 0.000 0.265 2 K C -0.114 176.488 176.600 0.002 0.000 1.000 2 K CA 0.334 56.623 56.287 0.003 0.000 0.943 2 K CB 0.487 32.985 32.500 -0.004 0.000 0.950 2 K HN 0.267 nan 8.250 nan 0.000 0.485 3 R N 0.681 121.181 120.500 -0.001 0.000 2.486 3 R HA 0.469 4.809 4.340 -0.000 0.000 0.286 3 R C -0.844 175.449 176.300 -0.013 0.000 0.999 3 R CA -0.825 55.274 56.100 -0.003 0.000 0.993 3 R CB 1.219 31.517 30.300 -0.002 0.000 1.084 3 R HN 0.210 nan 8.270 nan 0.000 0.487 4 V N 3.647 123.551 119.914 -0.017 0.000 2.540 4 V HA 0.448 4.568 4.120 -0.000 0.000 0.302 4 V C -0.167 175.907 176.094 -0.034 0.000 1.035 4 V CA -0.740 61.540 62.300 -0.033 0.000 0.873 4 V CB 1.688 33.486 31.823 -0.042 0.000 0.992 4 V HN 0.608 nan 8.190 nan 0.000 0.428 5 V N 2.490 122.379 119.914 -0.042 0.000 3.074 5 V HA 0.692 4.812 4.120 -0.000 0.000 0.314 5 V C -0.625 175.444 176.094 -0.041 0.000 1.117 5 V CA -0.957 61.321 62.300 -0.036 0.000 1.014 5 V CB 2.350 34.153 31.823 -0.033 0.000 1.057 5 V HN 0.652 nan 8.190 nan 0.000 0.438 6 I N 2.508 123.069 120.570 -0.016 0.000 2.339 6 I HA 0.422 4.592 4.170 -0.000 0.000 0.290 6 I C 1.013 177.186 176.117 0.095 0.000 0.994 6 I CA -0.032 61.267 61.300 -0.001 0.000 1.191 6 I CB 2.104 40.089 38.000 -0.026 0.000 1.343 6 I HN 0.990 nan 8.210 nan 0.000 0.458 7 T N 0.761 115.360 114.554 0.074 0.000 3.085 7 T HA 0.444 4.794 4.350 -0.000 0.000 0.264 7 T C 0.391 175.236 174.700 0.241 0.000 1.019 7 T CA -0.384 61.794 62.100 0.131 0.000 0.910 7 T CB 0.426 69.315 68.868 0.036 0.000 1.059 7 T HN 0.731 nan 8.240 nan 0.000 0.542 8 G N 1.343 110.274 108.800 0.219 0.000 2.616 8 G HA2 0.546 4.506 3.960 -0.000 0.000 0.294 8 G HA3 0.546 4.506 3.960 -0.000 0.000 0.294 8 G C -2.070 172.835 174.900 0.008 0.000 1.489 8 G CA -0.937 44.282 45.100 0.198 0.000 0.836 8 G HN 0.661 nan 8.290 nan 0.000 0.527 9 L N -1.158 120.048 121.223 -0.028 0.000 2.465 9 L HA 1.057 5.397 4.340 -0.000 0.000 0.257 9 L C -0.061 176.772 176.870 -0.062 0.000 0.988 9 L CA -0.899 53.871 54.840 -0.117 0.000 0.827 9 L CB 1.926 43.819 42.059 -0.277 0.000 1.397 9 L HN 1.234 nan 8.230 nan 0.000 0.410 10 G N 1.007 109.764 108.800 -0.072 0.000 2.719 10 G HA2 0.776 4.736 3.960 -0.000 0.000 0.298 10 G HA3 0.776 4.736 3.960 -0.000 0.000 0.298 10 G C -2.019 172.849 174.900 -0.053 0.000 1.411 10 G CA -0.648 44.422 45.100 -0.049 0.000 0.991 10 G HN 0.991 nan 8.290 nan 0.000 0.509 11 I N 0.814 121.366 120.570 -0.031 0.000 2.787 11 I HA 0.610 4.780 4.170 -0.000 0.000 0.294 11 I C -1.550 174.555 176.117 -0.021 0.000 1.365 11 I CA -0.925 60.354 61.300 -0.035 0.000 1.029 11 I CB 2.368 40.346 38.000 -0.037 0.000 1.313 11 I HN 0.353 nan 8.210 nan 0.000 0.431 12 V N 6.492 126.378 119.914 -0.047 0.000 2.462 12 V HA 0.573 4.693 4.120 -0.000 0.000 0.288 12 V C -0.351 175.651 176.094 -0.152 0.000 1.020 12 V CA -0.122 62.128 62.300 -0.084 0.000 0.857 12 V CB 1.432 33.206 31.823 -0.082 0.000 1.013 12 V HN 0.855 nan 8.190 nan 0.000 0.431 13 S N 2.426 118.064 115.700 -0.104 0.000 2.806 13 S HA 0.457 4.927 4.470 -0.000 0.000 0.306 13 S C 1.171 175.714 174.600 -0.095 0.000 1.167 13 S CA 0.100 58.240 58.200 -0.099 0.000 0.847 13 S CB 1.655 64.873 63.200 0.030 0.000 1.216 13 S HN 0.851 nan 8.310 nan 0.000 0.532 14 S N 0.341 115.996 115.700 -0.076 0.000 2.442 14 S HA -0.066 4.404 4.470 -0.000 0.000 0.236 14 S C 1.457 176.035 174.600 -0.037 0.000 1.007 14 S CA 1.038 59.197 58.200 -0.068 0.000 0.965 14 S CB -1.135 62.035 63.200 -0.049 0.000 0.773 14 S HN 0.992 nan 8.310 nan 0.000 0.504 15 I N -2.483 118.072 120.570 -0.024 0.000 3.941 15 I HA 0.667 4.837 4.170 -0.000 0.000 0.335 15 I C 0.578 176.682 176.117 -0.022 0.000 1.402 15 I CA -0.400 60.881 61.300 -0.033 0.000 1.112 15 I CB 0.226 38.181 38.000 -0.074 0.000 1.043 15 I HN 0.298 nan 8.210 nan 0.000 0.395 16 G N 1.028 109.819 108.800 -0.014 0.000 2.376 16 G HA2 0.069 4.029 3.960 -0.000 0.000 0.302 16 G HA3 0.069 4.029 3.960 -0.000 0.000 0.302 16 G C -0.876 174.018 174.900 -0.010 0.000 1.586 16 G CA -0.614 44.482 45.100 -0.007 0.000 0.907 16 G HN -0.007 nan 8.290 nan 0.000 0.655 17 N N 0.327 119.023 118.700 -0.007 0.000 2.236 17 N HA 0.100 4.840 4.740 -0.000 0.000 0.196 17 N C 0.475 175.989 175.510 0.007 0.000 1.114 17 N CA 0.478 53.524 53.050 -0.007 0.000 0.859 17 N CB 0.257 38.743 38.487 -0.001 0.000 0.982 17 N HN 0.832 nan 8.380 nan 0.000 0.493 18 N N -1.135 117.572 118.700 0.012 0.000 3.020 18 N HA 0.005 4.745 4.740 -0.000 0.000 0.248 18 N C 0.291 175.818 175.510 0.028 0.000 1.480 18 N CA -0.480 52.581 53.050 0.019 0.000 0.874 18 N CB 1.004 39.503 38.487 0.020 0.000 1.433 18 N HN -0.186 nan 8.380 nan 0.000 0.530 19 Q N -0.262 119.560 119.800 0.036 0.000 2.226 19 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 19 Q C 0.965 176.990 176.000 0.041 0.000 0.975 19 Q CA 1.660 57.495 55.803 0.054 0.000 0.866 19 Q CB -0.202 28.579 28.738 0.072 0.000 0.915 19 Q HN 0.547 nan 8.270 nan 0.000 0.440 20 Q N 1.277 121.090 119.800 0.022 0.000 2.046 20 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 20 Q C 1.727 177.714 176.000 -0.023 0.000 0.975 20 Q CA 1.894 57.692 55.803 -0.008 0.000 0.836 20 Q CB 0.078 28.813 28.738 -0.006 0.000 0.896 20 Q HN 0.571 nan 8.270 nan 0.000 0.428 21 E N -0.380 119.814 120.200 -0.010 0.000 2.106 21 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 21 E C 1.951 178.540 176.600 -0.019 0.000 0.984 21 E CA 1.085 57.474 56.400 -0.018 0.000 0.806 21 E CB 0.032 29.726 29.700 -0.010 0.000 0.750 21 E HN 0.101 nan 8.360 nan 0.000 0.458 22 V N 1.491 121.409 119.914 0.007 0.000 2.343 22 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 22 V C 2.293 178.387 176.094 0.000 0.000 1.051 22 V CA 1.376 63.687 62.300 0.020 0.000 1.036 22 V CB -0.343 31.547 31.823 0.111 0.000 0.654 22 V HN 0.231 nan 8.190 nan 0.000 0.451 23 L N 0.897 122.122 121.223 0.003 0.000 2.042 23 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 23 L C 2.430 179.233 176.870 -0.112 0.000 1.076 23 L CA 2.489 57.313 54.840 -0.027 0.000 0.749 23 L CB -0.887 41.101 42.059 -0.119 0.000 0.893 23 L HN 0.223 nan 8.230 nan 0.000 0.432 24 A N -1.432 121.320 122.820 -0.113 0.000 1.902 24 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 24 A C 2.368 179.887 177.584 -0.109 0.000 1.181 24 A CA 1.972 53.932 52.037 -0.128 0.000 0.623 24 A CB -0.993 17.951 19.000 -0.093 0.000 0.818 24 A HN 0.543 nan 8.150 nan 0.000 0.443 25 S N 0.040 115.692 115.700 -0.080 0.000 2.368 25 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 25 S C 1.838 176.391 174.600 -0.078 0.000 1.030 25 S CA 1.500 59.655 58.200 -0.075 0.000 0.999 25 S CB -0.504 62.651 63.200 -0.075 0.000 0.844 25 S HN 0.501 nan 8.310 nan 0.000 0.459 26 L N 0.856 122.040 121.223 -0.064 0.000 2.046 26 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 26 L C 2.770 179.668 176.870 0.048 0.000 1.077 26 L CA 1.301 56.147 54.840 0.010 0.000 0.747 26 L CB -0.433 41.714 42.059 0.146 0.000 0.896 26 L HN 0.221 nan 8.230 nan 0.000 0.432 27 R N 0.015 120.435 120.500 -0.133 0.000 2.096 27 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 27 R C 1.890 178.107 176.300 -0.139 0.000 1.127 27 R CA 1.328 57.251 56.100 -0.295 0.000 0.968 27 R CB -0.084 29.920 30.300 -0.494 0.000 0.861 27 R HN 0.465 nan 8.270 nan 0.000 0.440 28 E N -1.067 119.071 120.200 -0.103 0.000 2.474 28 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 28 E C 0.596 177.171 176.600 -0.042 0.000 1.041 28 E CA 0.320 56.678 56.400 -0.069 0.000 0.874 28 E CB 0.708 30.368 29.700 -0.067 0.000 0.914 28 E HN 0.456 nan 8.360 nan 0.000 0.498 29 G N 2.580 111.360 108.800 -0.035 0.000 2.221 29 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.265 29 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.265 29 G C 0.003 174.884 174.900 -0.031 0.000 1.041 29 G CA 0.183 45.268 45.100 -0.026 0.000 0.807 29 G HN 0.169 nan 8.290 nan 0.000 0.502 30 R N 0.460 120.935 120.500 -0.041 0.000 2.347 30 R HA 0.436 4.776 4.340 -0.000 0.000 0.304 30 R C 0.808 177.087 176.300 -0.034 0.000 1.072 30 R CA 0.334 56.413 56.100 -0.034 0.000 0.980 30 R CB 0.508 30.785 30.300 -0.038 0.000 0.986 30 R HN 0.273 nan 8.270 nan 0.000 0.448 31 S N 1.835 117.524 115.700 -0.017 0.000 2.565 31 S HA 0.225 4.695 4.470 -0.000 0.000 0.276 31 S C 0.960 175.562 174.600 0.003 0.000 1.326 31 S CA -0.239 57.956 58.200 -0.008 0.000 1.045 31 S CB 1.274 64.478 63.200 0.007 0.000 0.918 31 S HN 0.773 nan 8.310 nan 0.000 0.505 32 G N 3.841 112.644 108.800 0.006 0.000 3.277 32 G HA2 0.229 4.189 3.960 -0.000 0.000 0.243 32 G HA3 0.229 4.189 3.960 -0.000 0.000 0.243 32 G C 0.137 175.070 174.900 0.055 0.000 1.107 32 G CA -0.259 44.851 45.100 0.017 0.000 0.771 32 G HN 0.612 nan 8.290 nan 0.000 0.544 33 I N 2.645 123.260 120.570 0.075 0.000 2.428 33 I HA 0.371 4.541 4.170 -0.000 0.000 0.289 33 I C 0.675 176.890 176.117 0.163 0.000 1.019 33 I CA -0.255 61.124 61.300 0.130 0.000 1.351 33 I CB 0.453 38.521 38.000 0.114 0.000 1.412 33 I HN 0.081 nan 8.210 nan 0.000 0.513 34 T N 2.693 117.396 114.554 0.248 0.000 2.865 34 T HA 0.548 4.898 4.350 -0.000 0.000 0.294 34 T C -0.583 174.263 174.700 0.243 0.000 1.119 34 T CA -0.742 61.511 62.100 0.256 0.000 1.007 34 T CB 1.800 70.837 68.868 0.280 0.000 1.225 34 T HN 0.224 nan 8.240 nan 0.000 0.515 35 F N 1.617 121.610 119.950 0.071 0.000 2.443 35 F HA 0.583 5.110 4.527 -0.000 0.000 0.353 35 F C 0.408 176.108 175.800 -0.166 0.000 1.101 35 F CA -0.175 57.811 58.000 -0.023 0.000 1.226 35 F CB 1.017 40.016 39.000 -0.002 0.000 1.140 35 F HN 0.681 nan 8.300 nan 0.000 0.557 36 S N 4.788 119.698 115.700 -1.316 0.000 2.474 36 S HA 0.190 4.660 4.470 -0.000 0.000 0.321 36 S C 0.522 174.349 174.600 -1.287 0.000 1.080 36 S CA -0.668 56.706 58.200 -1.376 0.000 1.106 36 S CB 1.352 63.246 63.200 -2.177 0.000 0.984 36 S HN 0.882 nan 8.310 nan 0.000 0.464 37 Q N 3.456 122.847 119.800 -0.681 0.000 2.167 37 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 37 Q C 1.763 177.556 176.000 -0.345 0.000 0.970 37 Q CA 2.057 57.661 55.803 -0.331 0.000 0.855 37 Q CB -0.157 28.572 28.738 -0.015 0.000 0.911 37 Q HN 0.911 nan 8.270 nan 0.000 0.438 38 E N -0.509 119.475 120.200 -0.361 0.000 2.051 38 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 38 E C 1.781 178.225 176.600 -0.260 0.000 0.991 38 E CA 1.252 57.523 56.400 -0.215 0.000 0.799 38 E CB -0.151 29.531 29.700 -0.029 0.000 0.748 38 E HN 0.446 nan 8.360 nan 0.000 0.449 39 L N 0.637 121.601 121.223 -0.433 0.000 2.056 39 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 39 L C 2.869 179.587 176.870 -0.253 0.000 1.078 39 L CA 1.443 56.129 54.840 -0.257 0.000 0.749 39 L CB -0.567 41.312 42.059 -0.299 0.000 0.901 39 L HN 0.160 nan 8.230 nan 0.000 0.433 40 K N 0.436 120.553 120.400 -0.471 0.000 2.009 40 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 40 K C 1.706 178.096 176.600 -0.349 0.000 1.049 40 K CA 2.001 57.907 56.287 -0.635 0.000 0.929 40 K CB -0.046 32.005 32.500 -0.749 0.000 0.714 40 K HN 0.182 nan 8.250 nan 0.000 0.440 41 D N 0.289 120.517 120.400 -0.288 0.000 2.182 41 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 41 D C 1.916 178.047 176.300 -0.282 0.000 0.986 41 D CA 1.576 55.437 54.000 -0.233 0.000 0.847 41 D CB -0.197 40.485 40.800 -0.197 0.000 0.942 41 D HN 0.387 nan 8.370 nan 0.000 0.467 42 S N -0.973 114.522 115.700 -0.341 0.000 2.481 42 S HA 0.106 4.576 4.470 -0.000 0.000 0.231 42 S C 1.768 176.196 174.600 -0.287 0.000 0.996 42 S CA 1.016 58.928 58.200 -0.479 0.000 0.942 42 S CB 0.165 63.033 63.200 -0.553 0.000 0.768 42 S HN 0.340 nan 8.310 nan 0.000 0.520 43 G N 0.455 109.154 108.800 -0.168 0.000 2.163 43 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.213 43 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.213 43 G C -0.021 174.881 174.900 0.004 0.000 0.991 43 G CA 0.066 45.118 45.100 -0.079 0.000 0.653 43 G HN 0.479 nan 8.290 nan 0.000 0.518 44 M N -0.518 119.105 119.600 0.037 0.000 2.202 44 M HA 0.448 4.928 4.480 -0.000 0.000 0.316 44 M C 1.824 178.224 176.300 0.167 0.000 1.138 44 M CA -0.100 55.258 55.300 0.097 0.000 1.151 44 M CB 0.609 33.276 32.600 0.111 0.000 1.422 44 M HN 0.144 nan 8.290 nan 0.000 0.471 45 R N -0.462 120.068 120.500 0.050 0.000 2.223 45 R HA 0.122 4.462 4.340 -0.000 0.000 0.198 45 R C 0.366 176.460 176.300 -0.343 0.000 0.984 45 R CA 0.181 56.230 56.100 -0.086 0.000 1.018 45 R CB 0.267 30.527 30.300 -0.066 0.000 0.945 45 R HN 0.525 nan 8.270 nan 0.000 0.479 46 S N 0.358 115.959 115.700 -0.165 0.000 2.452 46 S HA 0.150 4.620 4.470 -0.000 0.000 0.284 46 S C -0.165 174.388 174.600 -0.079 0.000 1.171 46 S CA -0.579 57.518 58.200 -0.172 0.000 1.064 46 S CB 0.345 63.505 63.200 -0.067 0.000 0.967 46 S HN 0.339 nan 8.310 nan 0.000 0.484 47 H N 2.617 121.620 119.070 -0.111 0.000 2.567 47 H HA 0.325 4.881 4.556 -0.000 0.000 0.267 47 H C -0.111 174.980 175.328 -0.396 0.000 1.148 47 H CA -0.609 55.254 56.048 -0.310 0.000 1.031 47 H CB 0.537 30.157 29.762 -0.237 0.000 1.691 47 H HN 0.430 nan 8.280 nan 0.000 0.588 48 V N -1.432 118.425 119.914 -0.095 0.000 2.769 48 V HA 0.623 4.743 4.120 -0.000 0.000 0.312 48 V C -1.172 174.993 176.094 0.117 0.000 1.061 48 V CA -0.938 61.352 62.300 -0.018 0.000 0.931 48 V CB 1.993 33.875 31.823 0.099 0.000 1.010 48 V HN 0.404 nan 8.190 nan 0.000 0.433 49 W N 1.360 122.669 121.300 0.014 0.000 3.146 49 W HA 0.808 5.468 4.660 -0.000 0.000 0.319 49 W C -0.340 176.196 176.519 0.028 0.000 1.258 49 W CA -1.715 55.642 57.345 0.021 0.000 1.189 49 W CB 0.934 30.401 29.460 0.012 0.000 1.412 49 W HN 1.012 nan 8.180 nan 0.000 0.567 50 G N 2.214 111.117 108.800 0.172 0.000 2.857 50 G HA2 0.394 4.354 3.960 -0.000 0.000 0.326 50 G HA3 0.394 4.354 3.960 -0.000 0.000 0.326 50 G C -0.463 174.313 174.900 -0.206 0.000 0.950 50 G CA -0.784 44.325 45.100 0.016 0.000 1.400 50 G HN 0.625 nan 8.290 nan 0.000 0.473 51 N N 0.158 118.665 118.700 -0.323 0.000 2.508 51 N HA 0.446 5.186 4.740 -0.000 0.000 0.285 51 N C -0.483 174.862 175.510 -0.275 0.000 1.144 51 N CA -0.900 51.846 53.050 -0.506 0.000 0.978 51 N CB 2.136 40.210 38.487 -0.689 0.000 1.180 51 N HN -0.001 nan 8.380 nan 0.000 0.484 52 V N 1.562 121.294 119.914 -0.303 0.000 2.455 52 V HA 0.066 4.186 4.120 -0.000 0.000 0.273 52 V C 0.237 176.255 176.094 -0.126 0.000 1.045 52 V CA -0.477 61.674 62.300 -0.247 0.000 0.976 52 V CB 0.566 32.130 31.823 -0.431 0.000 0.993 52 V HN 0.724 nan 8.190 nan 0.000 0.475 53 K N 6.310 126.666 120.400 -0.073 0.000 2.333 53 K HA 0.480 4.800 4.320 -0.000 0.000 0.241 53 K C -0.891 175.707 176.600 -0.004 0.000 1.193 53 K CA -0.324 55.952 56.287 -0.019 0.000 1.142 53 K CB 0.525 33.025 32.500 -0.001 0.000 1.731 53 K HN 0.426 nan 8.250 nan 0.000 0.344 54 L N 0.436 121.665 121.223 0.010 0.000 2.549 54 L HA 0.329 4.669 4.340 -0.000 0.000 0.259 54 L C -1.872 175.030 176.870 0.052 0.000 0.934 54 L CA -0.465 54.393 54.840 0.030 0.000 0.865 54 L CB 2.312 44.390 42.059 0.030 0.000 1.352 54 L HN 0.162 nan 8.230 nan 0.000 0.410 55 D N 1.639 122.067 120.400 0.046 0.000 2.359 55 D HA 0.303 4.943 4.640 -0.000 0.000 0.230 55 D C 0.788 177.115 176.300 0.045 0.000 1.118 55 D CA 0.317 54.344 54.000 0.045 0.000 0.844 55 D CB 1.494 42.314 40.800 0.034 0.000 1.059 55 D HN 0.684 nan 8.370 nan 0.000 0.493 56 T N -0.089 114.495 114.554 0.051 0.000 3.169 56 T HA 0.046 4.396 4.350 -0.000 0.000 0.250 56 T C 0.778 175.480 174.700 0.002 0.000 1.111 56 T CA -0.285 61.839 62.100 0.040 0.000 1.010 56 T CB -0.416 68.480 68.868 0.047 0.000 0.984 56 T HN 0.226 nan 8.240 nan 0.000 0.537 57 T N 2.489 117.043 114.554 0.001 0.000 2.867 57 T HA 0.422 4.772 4.350 -0.000 0.000 0.297 57 T C 1.553 176.242 174.700 -0.018 0.000 0.989 57 T CA 0.746 62.837 62.100 -0.016 0.000 1.159 57 T CB 0.193 69.057 68.868 -0.007 0.000 0.928 57 T HN 0.682 nan 8.240 nan 0.000 0.538 58 G N 2.735 111.512 108.800 -0.037 0.000 2.212 58 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.266 58 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.266 58 G C 0.905 175.788 174.900 -0.029 0.000 0.978 58 G CA 0.320 45.399 45.100 -0.035 0.000 0.632 58 G HN 0.685 nan 8.290 nan 0.000 0.537 59 L N -0.158 121.053 121.223 -0.021 0.000 2.376 59 L HA 0.315 4.655 4.340 -0.000 0.000 0.219 59 L C 1.197 178.058 176.870 -0.014 0.000 1.133 59 L CA 0.774 55.617 54.840 0.004 0.000 0.816 59 L CB -0.115 41.965 42.059 0.035 0.000 0.933 59 L HN 0.313 nan 8.230 nan 0.000 0.449 60 I N -0.998 119.515 120.570 -0.096 0.000 2.545 60 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 60 I C -0.391 175.615 176.117 -0.185 0.000 1.040 60 I CA -0.992 60.186 61.300 -0.203 0.000 1.068 60 I CB 2.187 39.925 38.000 -0.436 0.000 1.251 60 I HN -0.200 nan 8.210 nan 0.000 0.424 61 D N 4.299 124.598 120.400 -0.168 0.000 2.583 61 D HA -0.035 4.605 4.640 -0.000 0.000 0.232 61 D C 1.316 177.519 176.300 -0.161 0.000 1.128 61 D CA 0.683 54.605 54.000 -0.131 0.000 0.859 61 D CB 0.927 41.665 40.800 -0.104 0.000 1.169 61 D HN 0.415 nan 8.370 nan 0.000 0.481 62 R N 2.793 123.213 120.500 -0.133 0.000 2.113 62 R HA -0.214 4.126 4.340 -0.000 0.000 0.244 62 R C 1.817 178.003 176.300 -0.190 0.000 1.142 62 R CA 1.835 57.842 56.100 -0.156 0.000 0.953 62 R CB -0.040 30.188 30.300 -0.121 0.000 0.860 62 R HN 0.495 nan 8.270 nan 0.000 0.438 63 K N -0.233 120.083 120.400 -0.139 0.000 2.288 63 K HA -0.044 4.276 4.320 -0.000 0.000 0.201 63 K C 1.848 178.403 176.600 -0.074 0.000 1.048 63 K CA 0.812 57.030 56.287 -0.115 0.000 0.956 63 K CB 0.275 32.749 32.500 -0.043 0.000 0.746 63 K HN 0.040 nan 8.250 nan 0.000 0.461 64 V N -0.079 119.768 119.914 -0.112 0.000 2.500 64 V HA -0.101 4.019 4.120 -0.000 0.000 0.243 64 V C 1.879 177.879 176.094 -0.157 0.000 1.039 64 V CA 0.909 63.152 62.300 -0.096 0.000 1.053 64 V CB 0.334 32.022 31.823 -0.224 0.000 0.695 64 V HN 0.078 nan 8.190 nan 0.000 0.463 65 V N 1.963 121.715 119.914 -0.270 0.000 2.913 65 V HA -0.190 3.930 4.120 -0.000 0.000 0.260 65 V C 2.678 178.567 176.094 -0.341 0.000 1.098 65 V CA 1.937 64.055 62.300 -0.302 0.000 1.121 65 V CB -0.586 31.061 31.823 -0.293 0.000 0.714 65 V HN 0.722 nan 8.190 nan 0.000 0.487 66 R N -0.851 119.366 120.500 -0.471 0.000 2.193 66 R HA -0.093 4.247 4.340 -0.000 0.000 0.229 66 R C 1.781 177.546 176.300 -0.891 0.000 1.110 66 R CA 2.048 57.664 56.100 -0.807 0.000 0.988 66 R CB -0.710 28.863 30.300 -1.212 0.000 0.871 66 R HN 0.500 nan 8.270 nan 0.000 0.458 67 F N 0.640 120.342 119.950 -0.413 0.000 2.776 67 F HA 0.322 4.849 4.527 0.000 0.000 0.300 67 F C 0.861 176.517 175.800 -0.241 0.000 1.116 67 F CA -0.347 57.507 58.000 -0.242 0.000 1.375 67 F CB 0.235 39.155 39.000 -0.133 0.000 1.109 67 F HN -0.109 nan 8.300 nan 0.000 0.585 68 M N -0.128 119.387 119.600 -0.142 0.000 2.409 68 M HA 0.339 4.819 4.480 -0.000 0.000 0.329 68 M C 0.344 176.468 176.300 -0.295 0.000 1.180 68 M CA -0.648 54.545 55.300 -0.179 0.000 1.053 68 M CB 1.569 34.068 32.600 -0.168 0.000 1.586 68 M HN -0.062 nan 8.290 nan 0.000 0.461 69 S N -0.520 115.047 115.700 -0.222 0.000 2.745 69 S HA 0.355 4.825 4.470 -0.000 0.000 0.292 69 S C 0.258 174.771 174.600 -0.145 0.000 1.133 69 S CA -0.819 57.285 58.200 -0.161 0.000 0.998 69 S CB 1.135 64.322 63.200 -0.022 0.000 1.087 69 S HN 0.664 nan 8.310 nan 0.000 0.551 70 D N 1.100 121.415 120.400 -0.141 0.000 2.149 70 D HA -0.049 4.590 4.640 -0.000 0.000 0.198 70 D C 2.178 178.152 176.300 -0.543 0.000 0.990 70 D CA 1.792 55.528 54.000 -0.441 0.000 0.839 70 D CB -0.882 39.643 40.800 -0.457 0.000 0.948 70 D HN 0.676 nan 8.370 nan 0.000 0.460 71 A N 0.517 123.215 122.820 -0.204 0.000 1.908 71 A HA -0.191 4.128 4.320 -0.000 0.000 0.218 71 A C 2.447 180.020 177.584 -0.018 0.000 1.181 71 A CA 2.035 54.047 52.037 -0.042 0.000 0.627 71 A CB -0.573 18.444 19.000 0.029 0.000 0.818 71 A HN 0.190 nan 8.150 nan 0.000 0.445 72 S N -0.328 115.346 115.700 -0.043 0.000 2.383 72 S HA -0.060 4.410 4.470 -0.000 0.000 0.227 72 S C 1.802 176.427 174.600 0.041 0.000 1.026 72 S CA 1.292 59.502 58.200 0.018 0.000 0.981 72 S CB -0.456 62.742 63.200 -0.002 0.000 0.818 72 S HN 0.541 nan 8.310 nan 0.000 0.472 73 I N 0.487 121.001 120.570 -0.094 0.000 2.142 73 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 73 I C 2.115 178.295 176.117 0.105 0.000 1.078 73 I CA 1.355 62.611 61.300 -0.073 0.000 1.343 73 I CB -0.456 37.408 38.000 -0.227 0.000 1.046 73 I HN 0.246 nan 8.210 nan 0.000 0.405 74 Y N 0.865 121.203 120.300 0.062 0.000 2.165 74 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 74 Y C 2.667 178.607 175.900 0.068 0.000 1.155 74 Y CA 0.854 58.985 58.100 0.051 0.000 1.164 74 Y CB -1.385 37.084 38.460 0.014 0.000 0.978 74 Y HN 0.148 nan 8.280 nan 0.000 0.513 75 A N -0.747 122.211 122.820 0.231 0.000 1.930 75 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 75 A C 2.220 179.897 177.584 0.156 0.000 1.175 75 A CA 1.168 53.292 52.037 0.146 0.000 0.627 75 A CB -1.301 17.765 19.000 0.110 0.000 0.815 75 A HN 0.448 nan 8.150 nan 0.000 0.443 76 F N 0.576 120.574 119.950 0.080 0.000 2.113 76 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 76 F C 1.895 177.770 175.800 0.125 0.000 1.103 76 F CA 1.641 59.721 58.000 0.133 0.000 1.248 76 F CB -0.117 38.945 39.000 0.104 0.000 0.999 76 F HN 0.132 nan 8.300 nan 0.000 0.475 77 L N -0.661 120.791 121.223 0.382 0.000 2.083 77 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 77 L C 2.447 179.367 176.870 0.083 0.000 1.083 77 L CA 1.328 56.316 54.840 0.247 0.000 0.752 77 L CB -0.873 41.323 42.059 0.228 0.000 0.899 77 L HN 0.086 nan 8.230 nan 0.000 0.433 78 S N -0.421 115.311 115.700 0.053 0.000 2.383 78 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 78 S C 1.908 176.446 174.600 -0.103 0.000 1.026 78 S CA 1.334 59.523 58.200 -0.017 0.000 0.981 78 S CB -0.167 63.026 63.200 -0.011 0.000 0.818 78 S HN 0.354 nan 8.310 nan 0.000 0.472 79 M N 1.570 121.053 119.600 -0.196 0.000 2.132 79 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 79 M C 1.972 177.998 176.300 -0.457 0.000 1.065 79 M CA 1.433 56.479 55.300 -0.424 0.000 1.122 79 M CB -0.150 32.016 32.600 -0.724 0.000 1.365 79 M HN 0.207 nan 8.290 nan 0.000 0.411 80 E N -0.153 119.857 120.200 -0.317 0.000 2.085 80 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 80 E C 2.049 178.586 176.600 -0.105 0.000 0.994 80 E CA 1.669 57.970 56.400 -0.166 0.000 0.801 80 E CB -0.178 29.513 29.700 -0.014 0.000 0.743 80 E HN 0.691 nan 8.360 nan 0.000 0.453 81 Q N -0.050 119.707 119.800 -0.072 0.000 2.079 81 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 81 Q C 2.212 178.189 176.000 -0.039 0.000 0.974 81 Q CA 1.215 56.999 55.803 -0.031 0.000 0.840 81 Q CB -0.118 28.612 28.738 -0.013 0.000 0.898 81 Q HN 0.217 nan 8.270 nan 0.000 0.430 82 A N 0.836 123.610 122.820 -0.077 0.000 1.933 82 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 82 A C 2.012 179.577 177.584 -0.031 0.000 1.175 82 A CA 1.096 53.107 52.037 -0.045 0.000 0.628 82 A CB -0.580 18.392 19.000 -0.046 0.000 0.814 82 A HN 0.300 nan 8.150 nan 0.000 0.444 83 I N -0.371 120.125 120.570 -0.124 0.000 2.252 83 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 83 I C 2.947 179.046 176.117 -0.030 0.000 1.102 83 I CA 1.043 62.265 61.300 -0.131 0.000 1.385 83 I CB -0.284 37.512 38.000 -0.341 0.000 1.064 83 I HN 0.357 nan 8.210 nan 0.000 0.414 84 A N 0.209 123.019 122.820 -0.017 0.000 1.898 84 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 84 A C 1.995 179.602 177.584 0.037 0.000 1.181 84 A CA 2.180 54.230 52.037 0.021 0.000 0.620 84 A CB -0.662 18.351 19.000 0.022 0.000 0.819 84 A HN 0.420 nan 8.150 nan 0.000 0.442 85 D N -0.299 120.128 120.400 0.045 0.000 2.178 85 D HA 0.023 4.663 4.640 -0.000 0.000 0.202 85 D C 1.866 178.229 176.300 0.106 0.000 0.974 85 D CA 1.315 55.366 54.000 0.085 0.000 0.841 85 D CB -0.126 40.745 40.800 0.118 0.000 0.953 85 D HN 0.335 nan 8.370 nan 0.000 0.478 86 A N -0.646 122.225 122.820 0.085 0.000 2.119 86 A HA 0.356 4.675 4.320 -0.000 0.000 0.216 86 A C 1.876 179.501 177.584 0.068 0.000 1.152 86 A CA 1.153 53.240 52.037 0.083 0.000 0.708 86 A CB -0.535 18.495 19.000 0.050 0.000 0.805 86 A HN 0.474 nan 8.150 nan 0.000 0.460 87 G N -1.252 107.584 108.800 0.061 0.000 2.149 87 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.235 87 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.235 87 G C -0.076 174.870 174.900 0.076 0.000 1.018 87 G CA 0.255 45.390 45.100 0.058 0.000 0.728 87 G HN 0.436 nan 8.290 nan 0.000 0.508 88 L N 1.552 122.834 121.223 0.097 0.000 2.292 88 L HA 0.608 4.948 4.340 -0.000 0.000 0.284 88 L C 1.054 178.060 176.870 0.227 0.000 1.065 88 L CA -0.204 54.736 54.840 0.166 0.000 0.806 88 L CB 1.618 43.790 42.059 0.187 0.000 1.175 88 L HN 0.411 nan 8.230 nan 0.000 0.431 89 S N 1.761 117.592 115.700 0.219 0.000 2.608 89 S HA 0.489 4.959 4.470 -0.000 0.000 0.291 89 S C -2.086 172.608 174.600 0.156 0.000 1.146 89 S CA -1.474 56.832 58.200 0.177 0.000 1.043 89 S CB 1.798 65.050 63.200 0.087 0.000 1.037 89 S HN 0.335 nan 8.310 nan 0.000 0.520 90 P HA -0.244 nan 4.420 nan 0.000 0.217 90 P C 1.460 178.560 177.300 -0.334 0.000 1.158 90 P CA 1.667 64.583 63.100 -0.305 0.000 0.887 90 P CB -0.070 31.546 31.700 -0.139 0.000 0.792 91 E N -0.474 119.644 120.200 -0.136 0.000 2.333 91 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 91 E C 1.726 178.285 176.600 -0.068 0.000 1.007 91 E CA 1.517 57.856 56.400 -0.101 0.000 0.845 91 E CB -0.965 28.707 29.700 -0.047 0.000 0.766 91 E HN 0.250 nan 8.360 nan 0.000 0.507 92 A N 0.808 123.617 122.820 -0.019 0.000 1.984 92 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 92 A C 1.752 179.412 177.584 0.127 0.000 1.173 92 A CA 0.846 52.929 52.037 0.077 0.000 0.673 92 A CB -0.424 18.666 19.000 0.149 0.000 0.830 92 A HN 0.438 nan 8.150 nan 0.000 0.453 93 Y N -1.514 118.828 120.300 0.071 0.000 2.426 93 Y HA 0.450 5.000 4.550 -0.000 0.000 0.249 93 Y C 0.624 176.554 175.900 0.051 0.000 1.103 93 Y CA -0.649 57.508 58.100 0.095 0.000 1.256 93 Y CB -0.136 38.448 38.460 0.206 0.000 1.208 93 Y HN 0.159 nan 8.280 nan 0.000 0.519 94 Q N 2.039 121.511 119.800 -0.547 0.000 2.259 94 Q HA 0.190 4.530 4.340 -0.000 0.000 0.246 94 Q C -0.208 175.606 176.000 -0.310 0.000 0.920 94 Q CA -0.505 55.058 55.803 -0.401 0.000 0.895 94 Q CB 0.524 28.989 28.738 -0.455 0.000 1.220 94 Q HN 0.369 nan 8.270 nan 0.000 0.439 95 N N 2.002 120.418 118.700 -0.473 0.000 2.716 95 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 95 N C -1.074 174.192 175.510 -0.405 0.000 1.033 95 N CA 0.740 53.283 53.050 -0.846 0.000 0.727 95 N CB -1.005 37.211 38.487 -0.452 0.000 0.950 95 N HN 0.563 nan 8.380 nan 0.000 0.541 96 N N 0.520 119.092 118.700 -0.213 0.000 2.491 96 N HA 0.260 5.000 4.740 -0.000 0.000 0.274 96 N C -1.710 173.847 175.510 0.078 0.000 1.023 96 N CA -1.920 51.120 53.050 -0.016 0.000 0.902 96 N CB 1.443 39.934 38.487 0.008 0.000 1.267 96 N HN -0.119 nan 8.380 nan 0.000 0.503 97 P HA -0.071 nan 4.420 nan 0.000 0.228 97 P C 0.431 177.770 177.300 0.065 0.000 1.151 97 P CA 0.763 63.935 63.100 0.121 0.000 0.770 97 P CB 0.468 32.229 31.700 0.101 0.000 0.786 98 R N -0.409 120.114 120.500 0.039 0.000 2.334 98 R HA 0.229 4.569 4.340 -0.000 0.000 0.220 98 R C 0.184 176.464 176.300 -0.033 0.000 0.917 98 R CA -0.046 56.051 56.100 -0.004 0.000 1.073 98 R CB 0.227 30.516 30.300 -0.018 0.000 1.056 98 R HN 0.142 nan 8.270 nan 0.000 0.506 99 V N 0.373 120.295 119.914 0.014 0.000 2.409 99 V HA 0.629 4.749 4.120 -0.000 0.000 0.291 99 V C 0.458 176.589 176.094 0.063 0.000 1.020 99 V CA -0.747 61.564 62.300 0.019 0.000 0.848 99 V CB 1.721 33.612 31.823 0.112 0.000 0.990 99 V HN 0.295 nan 8.190 nan 0.000 0.430 100 G N 3.221 112.029 108.800 0.014 0.000 3.042 100 G HA2 0.833 4.793 3.960 -0.000 0.000 0.278 100 G HA3 0.833 4.793 3.960 -0.000 0.000 0.278 100 G C -1.743 173.195 174.900 0.063 0.000 1.371 100 G CA -0.769 44.345 45.100 0.025 0.000 1.009 100 G HN 0.705 nan 8.290 nan 0.000 0.523 101 L N -0.220 120.998 121.223 -0.008 0.000 2.516 101 L HA 0.686 5.026 4.340 -0.000 0.000 0.267 101 L C -1.559 175.230 176.870 -0.135 0.000 0.957 101 L CA -0.653 54.186 54.840 -0.003 0.000 0.860 101 L CB 1.672 43.755 42.059 0.039 0.000 1.265 101 L HN 0.429 nan 8.230 nan 0.000 0.403 102 I N 5.334 125.824 120.570 -0.133 0.000 2.448 102 I HA 0.771 4.941 4.170 -0.000 0.000 0.281 102 I C -0.446 175.639 176.117 -0.052 0.000 1.027 102 I CA -0.317 60.880 61.300 -0.171 0.000 1.111 102 I CB 1.753 39.619 38.000 -0.223 0.000 1.236 102 I HN 0.677 nan 8.210 nan 0.000 0.452 103 A N 4.325 127.139 122.820 -0.009 0.000 2.520 103 A HA 0.966 5.286 4.320 -0.000 0.000 0.298 103 A C -0.628 176.985 177.584 0.049 0.000 1.051 103 A CA -0.446 51.602 52.037 0.018 0.000 0.690 103 A CB 1.881 20.888 19.000 0.012 0.000 1.281 103 A HN 0.761 nan 8.150 nan 0.000 0.402 104 G N -0.250 108.582 108.800 0.054 0.000 2.788 104 G HA2 0.828 4.788 3.960 -0.000 0.000 0.293 104 G HA3 0.828 4.788 3.960 -0.000 0.000 0.293 104 G C -0.600 174.336 174.900 0.059 0.000 1.392 104 G CA 0.156 45.296 45.100 0.066 0.000 0.810 104 G HN 1.896 nan 8.290 nan 0.000 0.508 105 S N -1.971 113.766 115.700 0.062 0.000 2.595 105 S HA 0.660 5.130 4.470 -0.000 0.000 0.281 105 S C 0.932 175.568 174.600 0.060 0.000 1.117 105 S CA 0.245 58.479 58.200 0.057 0.000 0.873 105 S CB 1.582 64.817 63.200 0.058 0.000 1.108 105 S HN 1.511 nan 8.310 nan 0.000 0.477 106 G N -0.087 108.744 108.800 0.053 0.000 2.464 106 G HA2 0.326 4.286 3.960 -0.000 0.000 0.217 106 G HA3 0.326 4.286 3.960 -0.000 0.000 0.217 106 G C 0.869 175.814 174.900 0.075 0.000 1.138 106 G CA 0.391 45.528 45.100 0.060 0.000 0.793 106 G HN 1.195 nan 8.290 nan 0.000 0.539 107 G N -1.313 107.532 108.800 0.075 0.000 3.274 107 G HA2 0.454 4.414 3.960 -0.000 0.000 0.250 107 G HA3 0.454 4.414 3.960 -0.000 0.000 0.250 107 G C 1.065 176.005 174.900 0.067 0.000 1.024 107 G CA 0.818 45.965 45.100 0.079 0.000 0.840 107 G HN 1.080 nan 8.290 nan 0.000 0.522 108 G N 0.376 109.215 108.800 0.064 0.000 2.595 108 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.297 108 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.297 108 G C 0.391 175.333 174.900 0.071 0.000 1.181 108 G CA 0.758 45.896 45.100 0.064 0.000 0.963 108 G HN 1.427 nan 8.290 nan 0.000 0.541 109 S N 1.446 117.197 115.700 0.084 0.000 2.356 109 S HA 0.638 5.108 4.470 -0.000 0.000 0.171 109 S C -1.417 173.233 174.600 0.083 0.000 1.399 109 S CA 0.140 58.406 58.200 0.110 0.000 1.225 109 S CB 1.664 64.988 63.200 0.206 0.000 1.271 109 S HN 0.266 nan 8.310 nan 0.000 0.427 110 P HA -0.097 nan 4.420 nan 0.000 0.216 110 P C 1.527 178.769 177.300 -0.096 0.000 1.150 110 P CA 0.677 63.755 63.100 -0.036 0.000 0.837 110 P CB 0.134 31.791 31.700 -0.071 0.000 0.786 111 R N -0.808 119.605 120.500 -0.145 0.000 2.083 111 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 111 R C 1.743 177.853 176.300 -0.316 0.000 1.137 111 R CA 1.726 57.650 56.100 -0.294 0.000 0.951 111 R CB -0.911 29.164 30.300 -0.375 0.000 0.851 111 R HN 0.120 nan 8.270 nan 0.000 0.434 112 F N 0.645 120.607 119.950 0.020 0.000 2.710 112 F HA 0.048 4.575 4.527 -0.000 0.000 0.298 112 F C 2.437 178.329 175.800 0.153 0.000 1.137 112 F CA 0.340 58.401 58.000 0.102 0.000 1.444 112 F CB 0.150 39.171 39.000 0.035 0.000 1.111 112 F HN 0.051 nan 8.300 nan 0.000 0.580 113 Q N 0.044 119.959 119.800 0.192 0.000 2.020 113 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 113 Q C 2.608 178.666 176.000 0.096 0.000 0.974 113 Q CA 1.460 57.342 55.803 0.131 0.000 0.829 113 Q CB -0.846 27.933 28.738 0.068 0.000 0.894 113 Q HN 0.295 nan 8.270 nan 0.000 0.433 114 V N 1.271 121.211 119.914 0.043 0.000 2.343 114 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 114 V C 2.137 178.259 176.094 0.045 0.000 1.051 114 V CA 1.864 64.173 62.300 0.015 0.000 1.036 114 V CB -0.833 30.959 31.823 -0.053 0.000 0.654 114 V HN 0.249 nan 8.190 nan 0.000 0.451 115 F N 2.236 122.146 119.950 -0.068 0.000 2.095 115 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 115 F C 2.157 177.979 175.800 0.035 0.000 1.104 115 F CA 1.929 59.906 58.000 -0.039 0.000 1.232 115 F CB -0.853 38.080 39.000 -0.112 0.000 0.987 115 F HN 0.128 nan 8.300 nan 0.000 0.475 116 G N -0.313 108.513 108.800 0.045 0.000 2.418 116 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 116 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 116 G C 1.794 176.621 174.900 -0.121 0.000 1.158 116 G CA 0.786 45.848 45.100 -0.063 0.000 0.771 116 G HN 0.651 nan 8.290 nan 0.000 0.545 117 A N 1.113 123.899 122.820 -0.056 0.000 1.898 117 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 117 A C 2.100 179.633 177.584 -0.085 0.000 1.181 117 A CA 2.064 54.072 52.037 -0.049 0.000 0.620 117 A CB -0.405 18.588 19.000 -0.012 0.000 0.819 117 A HN 0.264 nan 8.150 nan 0.000 0.442 118 D N 0.169 120.501 120.400 -0.113 0.000 2.117 118 D HA -0.052 4.588 4.640 -0.000 0.000 0.197 118 D C 2.220 178.415 176.300 -0.175 0.000 0.987 118 D CA 1.540 55.472 54.000 -0.114 0.000 0.829 118 D CB -0.453 40.292 40.800 -0.091 0.000 0.961 118 D HN 0.418 nan 8.370 nan 0.000 0.460 119 A N 0.624 123.247 122.820 -0.327 0.000 1.902 119 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 119 A C 2.150 179.628 177.584 -0.177 0.000 1.181 119 A CA 1.675 53.516 52.037 -0.328 0.000 0.623 119 A CB -0.527 18.126 19.000 -0.578 0.000 0.818 119 A HN 0.173 nan 8.150 nan 0.000 0.443 120 M N -0.333 119.179 119.600 -0.147 0.000 2.213 120 M HA -0.062 4.417 4.480 -0.000 0.000 0.263 120 M C 1.710 177.975 176.300 -0.059 0.000 1.062 120 M CA 1.533 56.783 55.300 -0.082 0.000 1.105 120 M CB -0.317 32.247 32.600 -0.061 0.000 1.385 120 M HN 0.329 nan 8.290 nan 0.000 0.417 121 R N -0.041 120.423 120.500 -0.060 0.000 2.310 121 R HA 0.268 4.608 4.340 -0.000 0.000 0.202 121 R C 1.121 177.399 176.300 -0.037 0.000 0.933 121 R CA 0.379 56.456 56.100 -0.039 0.000 1.054 121 R CB -0.400 29.882 30.300 -0.031 0.000 0.985 121 R HN 0.452 nan 8.270 nan 0.000 0.489 122 G N 0.883 109.653 108.800 -0.049 0.000 2.563 122 G HA2 0.133 4.093 3.960 -0.000 0.000 0.283 122 G HA3 0.133 4.093 3.960 -0.000 0.000 0.283 122 G C -1.467 173.415 174.900 -0.029 0.000 1.309 122 G CA -1.048 44.029 45.100 -0.039 0.000 1.022 122 G HN -0.041 nan 8.290 nan 0.000 0.501 123 P HA -0.012 nan 4.420 nan 0.000 0.230 123 P C 1.078 178.369 177.300 -0.015 0.000 1.158 123 P CA 0.585 63.676 63.100 -0.014 0.000 0.769 123 P CB 0.392 32.086 31.700 -0.009 0.000 0.807 124 R N -0.682 119.807 120.500 -0.019 0.000 2.290 124 R HA 0.187 4.527 4.340 -0.000 0.000 0.197 124 R C 1.662 177.949 176.300 -0.022 0.000 0.913 124 R CA 0.693 56.783 56.100 -0.016 0.000 1.040 124 R CB -0.376 29.918 30.300 -0.011 0.000 0.992 124 R HN 0.188 nan 8.270 nan 0.000 0.500 125 G N 2.115 110.896 108.800 -0.032 0.000 2.634 125 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.309 125 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.309 125 G C 0.902 175.780 174.900 -0.036 0.000 1.265 125 G CA 0.482 45.561 45.100 -0.034 0.000 0.998 125 G HN 0.247 nan 8.290 nan 0.000 0.551 126 L N 0.341 121.548 121.223 -0.026 0.000 2.127 126 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 126 L C 2.981 179.841 176.870 -0.017 0.000 1.089 126 L CA 2.199 57.026 54.840 -0.021 0.000 0.757 126 L CB -0.461 41.587 42.059 -0.017 0.000 0.899 126 L HN 0.540 nan 8.230 nan 0.000 0.434 127 K N -0.113 120.279 120.400 -0.013 0.000 2.148 127 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 127 K C 2.183 178.789 176.600 0.009 0.000 1.050 127 K CA 1.199 57.484 56.287 -0.004 0.000 0.942 127 K CB -0.176 32.323 32.500 -0.002 0.000 0.724 127 K HN 0.282 nan 8.250 nan 0.000 0.446 128 A N 0.710 123.527 122.820 -0.005 0.000 1.970 128 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 128 A C 2.267 179.855 177.584 0.007 0.000 1.170 128 A CA 0.828 52.864 52.037 -0.001 0.000 0.645 128 A CB -0.330 18.638 19.000 -0.053 0.000 0.816 128 A HN 0.039 nan 8.150 nan 0.000 0.447 129 V N -0.412 119.489 119.914 -0.022 0.000 2.261 129 V HA 0.198 4.318 4.120 -0.000 0.000 0.246 129 V C 1.613 177.799 176.094 0.155 0.000 1.047 129 V CA 1.218 63.532 62.300 0.023 0.000 1.015 129 V CB -1.939 29.883 31.823 -0.002 0.000 0.642 129 V HN 1.263 nan 8.190 nan 0.000 0.446 130 G N 0.392 109.228 108.800 0.061 0.000 2.746 130 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.685 130 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.685 130 G C -1.699 173.141 174.900 -0.099 0.000 1.350 130 G CA -0.110 44.993 45.100 0.005 0.000 0.837 130 G HN 0.312 nan 8.290 nan 0.000 0.564 131 P HA 0.196 nan 4.420 nan 0.000 0.257 131 P C 0.254 177.249 177.300 -0.508 0.000 1.281 131 P CA 0.755 63.597 63.100 -0.431 0.000 0.826 131 P CB 0.013 31.395 31.700 -0.529 0.000 1.237 132 Y N -1.613 118.674 120.300 -0.023 0.000 2.481 132 Y HA 0.110 4.660 4.550 -0.000 0.000 0.247 132 Y C 2.265 178.141 175.900 -0.040 0.000 1.151 132 Y CA -0.218 57.842 58.100 -0.066 0.000 1.238 132 Y CB -0.491 37.818 38.460 -0.252 0.000 1.179 132 Y HN -0.285 nan 8.280 nan 0.000 0.524 133 V N -1.081 118.908 119.914 0.124 0.000 2.490 133 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 133 V C 2.134 178.292 176.094 0.107 0.000 1.061 133 V CA 1.505 63.887 62.300 0.136 0.000 1.064 133 V CB -0.729 31.248 31.823 0.257 0.000 0.670 133 V HN 0.232 nan 8.190 nan 0.000 0.461 134 V N 1.207 121.183 119.914 0.102 0.000 2.255 134 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 134 V C 2.807 178.952 176.094 0.084 0.000 1.051 134 V CA 2.744 65.097 62.300 0.088 0.000 1.018 134 V CB -1.164 30.704 31.823 0.075 0.000 0.641 134 V HN 0.830 nan 8.190 nan 0.000 0.445 135 T N -2.408 112.215 114.554 0.115 0.000 2.995 135 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 135 T C 1.721 176.445 174.700 0.041 0.000 1.091 135 T CA 1.145 63.301 62.100 0.094 0.000 1.128 135 T CB -0.209 68.757 68.868 0.165 0.000 0.891 135 T HN 0.464 nan 8.240 nan 0.000 0.492 136 K N 1.031 121.426 120.400 -0.009 0.000 2.098 136 K HA 0.324 4.644 4.320 -0.000 0.000 0.203 136 K C 2.639 179.244 176.600 0.009 0.000 1.051 136 K CA 0.992 57.208 56.287 -0.119 0.000 0.957 136 K CB -0.156 32.075 32.500 -0.449 0.000 0.738 136 K HN 0.410 nan 8.250 nan 0.000 0.447 137 A N 1.783 124.645 122.820 0.071 0.000 2.044 137 A HA 0.085 4.405 4.320 -0.000 0.000 0.213 137 A C 1.206 178.838 177.584 0.079 0.000 1.169 137 A CA -0.108 51.995 52.037 0.111 0.000 0.724 137 A CB -0.394 18.693 19.000 0.145 0.000 0.840 137 A HN 0.333 nan 8.150 nan 0.000 0.463 138 M N -1.348 118.291 119.600 0.064 0.000 2.249 138 M HA 0.438 4.918 4.480 -0.000 0.000 0.340 138 M C 0.931 177.263 176.300 0.053 0.000 1.166 138 M CA 0.463 55.795 55.300 0.055 0.000 1.115 138 M CB 0.471 33.099 32.600 0.047 0.000 1.606 138 M HN 0.077 nan 8.290 nan 0.000 0.448 139 A N 2.420 125.271 122.820 0.052 0.000 2.024 139 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 139 A C 1.999 179.617 177.584 0.057 0.000 1.164 139 A CA 1.991 54.061 52.037 0.054 0.000 0.643 139 A CB -0.925 18.105 19.000 0.050 0.000 0.806 139 A HN 1.020 nan 8.150 nan 0.000 0.451 140 S N -1.105 114.628 115.700 0.056 0.000 2.614 140 S HA 0.327 4.797 4.470 -0.000 0.000 0.230 140 S C 1.599 176.230 174.600 0.053 0.000 0.952 140 S CA 0.544 58.781 58.200 0.062 0.000 0.949 140 S CB -0.236 63.004 63.200 0.067 0.000 0.786 140 S HN 0.570 nan 8.310 nan 0.000 0.478 141 G N 2.232 111.060 108.800 0.046 0.000 2.476 141 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 141 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 141 G C 1.296 176.220 174.900 0.041 0.000 1.164 141 G CA 1.260 46.382 45.100 0.036 0.000 0.768 141 G HN 0.482 nan 8.290 nan 0.000 0.560 142 V N 1.729 121.673 119.914 0.049 0.000 2.332 142 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 142 V C 3.242 179.375 176.094 0.064 0.000 1.055 142 V CA 2.520 64.856 62.300 0.058 0.000 1.038 142 V CB -0.494 31.364 31.823 0.059 0.000 0.651 142 V HN 0.646 nan 8.190 nan 0.000 0.450 143 S N 0.519 116.254 115.700 0.058 0.000 2.388 143 S HA 0.031 4.501 4.470 -0.000 0.000 0.223 143 S C 2.129 176.761 174.600 0.053 0.000 1.034 143 S CA 0.912 59.144 58.200 0.052 0.000 0.963 143 S CB -0.364 62.865 63.200 0.049 0.000 0.827 143 S HN 0.524 nan 8.310 nan 0.000 0.481 144 A N 1.008 123.854 122.820 0.043 0.000 1.902 144 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 144 A C 2.358 179.946 177.584 0.007 0.000 1.181 144 A CA 1.582 53.630 52.037 0.019 0.000 0.623 144 A CB -1.507 17.494 19.000 0.001 0.000 0.818 144 A HN 0.696 nan 8.150 nan 0.000 0.443 145 C N -1.295 118.021 119.300 0.026 0.000 2.472 145 C HA 0.144 4.604 4.460 -0.000 0.000 0.278 145 C C 2.262 177.330 174.990 0.130 0.000 1.447 145 C CA 0.680 59.720 59.018 0.037 0.000 1.773 145 C CB -1.228 26.537 27.740 0.041 0.000 1.793 145 C HN 0.530 nan 8.230 nan 0.000 0.544 146 L N 0.345 121.668 121.223 0.166 0.000 2.388 146 L HA 0.265 4.605 4.340 -0.000 0.000 0.209 146 L C 2.604 179.632 176.870 0.263 0.000 1.061 146 L CA 1.446 56.459 54.840 0.289 0.000 0.834 146 L CB -1.040 41.147 42.059 0.212 0.000 1.029 146 L HN 0.161 nan 8.230 nan 0.000 0.473 147 A N -0.908 121.997 122.820 0.142 0.000 1.933 147 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 147 A C 2.281 179.941 177.584 0.127 0.000 1.175 147 A CA 2.321 54.434 52.037 0.127 0.000 0.628 147 A CB -0.882 18.166 19.000 0.081 0.000 0.814 147 A HN 0.400 nan 8.150 nan 0.000 0.444 148 T N 0.455 115.054 114.554 0.074 0.000 2.668 148 T HA -0.051 4.299 4.350 -0.000 0.000 0.262 148 T C -0.031 174.685 174.700 0.026 0.000 1.045 148 T CA 1.728 63.846 62.100 0.029 0.000 1.152 148 T CB -1.186 67.651 68.868 -0.052 0.000 0.864 148 T HN 0.401 nan 8.240 nan 0.000 0.419 149 P HA 0.030 nan 4.420 nan 0.000 0.217 149 P C 0.809 178.026 177.300 -0.139 0.000 1.150 149 P CA 0.923 63.969 63.100 -0.090 0.000 0.832 149 P CB -0.189 31.443 31.700 -0.114 0.000 0.787 150 F N -0.442 119.539 119.950 0.052 0.000 2.804 150 F HA 0.106 4.633 4.527 -0.000 0.000 0.303 150 F C 0.706 176.538 175.800 0.053 0.000 1.154 150 F CA 0.070 58.099 58.000 0.047 0.000 1.401 150 F CB -0.312 38.657 39.000 -0.052 0.000 1.106 150 F HN -0.253 nan 8.300 nan 0.000 0.568 151 K N 0.537 121.029 120.400 0.153 0.000 3.096 151 K HA -0.195 4.124 4.320 -0.000 0.000 0.266 151 K C -0.463 176.187 176.600 0.083 0.000 1.043 151 K CA 0.337 56.670 56.287 0.077 0.000 0.758 151 K CB -2.319 30.156 32.500 -0.043 0.000 1.260 151 K HN 0.204 nan 8.250 nan 0.000 0.481 152 I N 1.238 121.916 120.570 0.180 0.000 2.496 152 I HA 0.044 4.214 4.170 -0.000 0.000 0.285 152 I C 1.940 178.234 176.117 0.295 0.000 1.080 152 I CA 0.262 61.679 61.300 0.196 0.000 1.404 152 I CB 0.399 38.503 38.000 0.173 0.000 1.403 152 I HN 0.254 nan 8.210 nan 0.000 0.539 153 H N 3.324 122.434 119.070 0.067 0.000 2.740 153 H HA 0.168 4.724 4.556 -0.000 0.000 0.265 153 H C 1.383 176.731 175.328 0.033 0.000 0.978 153 H CA 0.003 56.076 56.048 0.042 0.000 1.198 153 H CB 1.361 31.143 29.762 0.033 0.000 1.467 153 H HN 0.770 nan 8.280 nan 0.000 0.511 154 G N 1.133 110.023 108.800 0.149 0.000 2.735 154 G HA2 0.207 4.167 3.960 -0.000 0.000 0.192 154 G HA3 0.207 4.167 3.960 -0.000 0.000 0.192 154 G C 0.238 175.160 174.900 0.037 0.000 1.547 154 G CA 0.100 45.244 45.100 0.073 0.000 1.080 154 G HN 0.123 nan 8.290 nan 0.000 0.569 155 V N -0.919 118.989 119.914 -0.010 0.000 2.963 155 V HA 0.480 4.600 4.120 -0.000 0.000 0.306 155 V C -0.197 175.830 176.094 -0.111 0.000 1.077 155 V CA -0.330 61.936 62.300 -0.057 0.000 1.124 155 V CB 1.244 32.974 31.823 -0.155 0.000 0.987 155 V HN 0.767 nan 8.190 nan 0.000 0.487 156 N N 2.764 121.398 118.700 -0.109 0.000 2.699 156 N HA 0.476 5.216 4.740 -0.000 0.000 0.271 156 N C -1.229 174.295 175.510 0.024 0.000 1.216 156 N CA -0.565 52.439 53.050 -0.077 0.000 0.844 156 N CB 1.161 39.660 38.487 0.020 0.000 1.462 156 N HN 1.037 nan 8.380 nan 0.000 0.555 157 Y N -1.056 119.263 120.300 0.031 0.000 2.741 157 Y HA 0.673 5.223 4.550 -0.000 0.000 0.339 157 Y C -1.291 174.626 175.900 0.028 0.000 1.226 157 Y CA -1.146 56.969 58.100 0.025 0.000 1.072 157 Y CB 0.531 39.002 38.460 0.020 0.000 1.331 157 Y HN 0.117 nan 8.280 nan 0.000 0.453 158 S N 1.643 117.529 115.700 0.310 0.000 2.501 158 S HA 0.699 5.169 4.470 -0.000 0.000 0.301 158 S C -0.830 173.905 174.600 0.224 0.000 1.096 158 S CA -0.719 57.603 58.200 0.204 0.000 1.063 158 S CB 1.062 64.336 63.200 0.124 0.000 1.042 158 S HN 0.517 nan 8.310 nan 0.000 0.494 159 I N 1.887 122.567 120.570 0.184 0.000 2.441 159 I HA 0.466 4.636 4.170 -0.000 0.000 0.295 159 I C -0.103 176.084 176.117 0.116 0.000 0.994 159 I CA -0.315 61.073 61.300 0.148 0.000 1.144 159 I CB 1.993 40.095 38.000 0.170 0.000 1.314 159 I HN 0.468 nan 8.210 nan 0.000 0.445 160 S N 3.077 118.832 115.700 0.092 0.000 2.557 160 S HA 0.608 5.078 4.470 -0.000 0.000 0.291 160 S C -0.362 174.299 174.600 0.102 0.000 1.116 160 S CA -0.415 57.841 58.200 0.094 0.000 0.992 160 S CB 1.106 64.352 63.200 0.076 0.000 1.028 160 S HN 0.683 nan 8.310 nan 0.000 0.484 161 S N 2.714 118.497 115.700 0.138 0.000 2.589 161 S HA 0.604 5.074 4.470 -0.000 0.000 0.210 161 S C 0.576 175.272 174.600 0.161 0.000 0.803 161 S CA 0.080 58.381 58.200 0.168 0.000 1.061 161 S CB -0.252 63.115 63.200 0.278 0.000 1.637 161 S HN 1.909 nan 8.310 nan 0.000 0.462 162 A N 0.849 123.739 122.820 0.116 0.000 5.308 162 A HA -0.351 3.969 4.320 -0.000 0.000 0.321 162 A C 1.764 179.376 177.584 0.046 0.000 1.849 162 A CA 1.405 53.486 52.037 0.073 0.000 0.713 162 A CB -2.282 16.772 19.000 0.090 0.000 1.360 162 A HN 1.494 nan 8.150 nan 0.000 0.384 163 C N 0.203 119.528 119.300 0.041 0.000 2.437 163 C HA 0.338 4.798 4.460 -0.000 0.000 0.283 163 C C 2.867 177.898 174.990 0.068 0.000 1.424 163 C CA 1.299 60.378 59.018 0.103 0.000 1.782 163 C CB -1.809 26.077 27.740 0.243 0.000 1.833 163 C HN 1.379 nan 8.230 nan 0.000 0.532 164 A N 0.238 123.089 122.820 0.052 0.000 2.308 164 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 164 A C 1.909 179.498 177.584 0.009 0.000 1.216 164 A CA 1.012 53.031 52.037 -0.031 0.000 0.864 164 A CB -0.666 18.305 19.000 -0.049 0.000 0.902 164 A HN 0.467 nan 8.150 nan 0.000 0.499 165 T N 1.510 116.121 114.554 0.096 0.000 2.527 165 T HA -0.290 4.060 4.350 -0.000 0.000 0.258 165 T C 2.184 176.932 174.700 0.080 0.000 1.175 165 T CA 2.773 64.944 62.100 0.118 0.000 1.168 165 T CB -0.603 68.314 68.868 0.080 0.000 0.860 165 T HN 0.819 nan 8.240 nan 0.000 0.429 166 S N 1.297 117.008 115.700 0.018 0.000 2.515 166 S HA 0.287 4.757 4.470 -0.000 0.000 0.231 166 S C 2.180 176.747 174.600 -0.054 0.000 0.987 166 S CA 0.656 58.848 58.200 -0.014 0.000 0.936 166 S CB -0.311 62.869 63.200 -0.033 0.000 0.766 166 S HN 0.577 nan 8.310 nan 0.000 0.528 167 A N 1.646 124.413 122.820 -0.088 0.000 1.930 167 A HA 0.075 4.395 4.320 -0.000 0.000 0.215 167 A C 1.886 179.394 177.584 -0.127 0.000 1.176 167 A CA 1.076 53.029 52.037 -0.141 0.000 0.632 167 A CB -0.897 17.986 19.000 -0.194 0.000 0.819 167 A HN 0.650 nan 8.150 nan 0.000 0.445 168 H N -1.533 117.558 119.070 0.035 0.000 2.423 168 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 168 H C 2.172 177.483 175.328 -0.028 0.000 1.075 168 H CA 1.354 57.443 56.048 0.068 0.000 1.342 168 H CB -0.132 29.703 29.762 0.122 0.000 1.395 168 H HN 0.532 nan 8.280 nan 0.000 0.530 169 C N 0.250 119.601 119.300 0.085 0.000 2.429 169 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 169 C C 2.676 177.621 174.990 -0.074 0.000 1.262 169 C CA 0.797 59.828 59.018 0.023 0.000 1.733 169 C CB -0.792 26.956 27.740 0.014 0.000 2.010 169 C HN 0.528 nan 8.230 nan 0.000 0.483 170 I N 0.969 121.461 120.570 -0.129 0.000 2.252 170 I HA -0.078 4.092 4.170 -0.000 0.000 0.245 170 I C 2.723 178.645 176.117 -0.324 0.000 1.102 170 I CA 1.729 62.913 61.300 -0.192 0.000 1.385 170 I CB -0.899 36.992 38.000 -0.181 0.000 1.064 170 I HN 0.436 nan 8.210 nan 0.000 0.414 171 G N 0.428 108.892 108.800 -0.560 0.000 2.408 171 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 171 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 171 G C 1.443 175.966 174.900 -0.630 0.000 1.150 171 G CA 0.726 45.058 45.100 -1.280 0.000 0.776 171 G HN 0.400 nan 8.290 nan 0.000 0.542 172 N N 0.797 119.353 118.700 -0.240 0.000 2.270 172 N HA -0.042 4.698 4.740 -0.000 0.000 0.181 172 N C 2.534 178.015 175.510 -0.049 0.000 1.016 172 N CA 0.873 53.912 53.050 -0.018 0.000 0.870 172 N CB -0.074 38.477 38.487 0.106 0.000 0.979 172 N HN 0.251 nan 8.380 nan 0.000 0.431 173 A N 0.783 123.536 122.820 -0.110 0.000 1.902 173 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 173 A C 2.388 179.905 177.584 -0.112 0.000 1.181 173 A CA 1.109 53.075 52.037 -0.118 0.000 0.623 173 A CB -0.747 18.167 19.000 -0.144 0.000 0.818 173 A HN 0.176 nan 8.150 nan 0.000 0.443 174 V N 0.247 120.079 119.914 -0.137 0.000 2.332 174 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 174 V C 2.395 178.465 176.094 -0.039 0.000 1.055 174 V CA 2.383 64.624 62.300 -0.099 0.000 1.038 174 V CB -0.900 30.849 31.823 -0.123 0.000 0.651 174 V HN 0.664 nan 8.190 nan 0.000 0.450 175 E N -0.573 119.620 120.200 -0.011 0.000 2.153 175 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 175 E C 2.357 178.969 176.600 0.020 0.000 0.988 175 E CA 0.982 57.404 56.400 0.037 0.000 0.811 175 E CB -0.162 29.590 29.700 0.087 0.000 0.746 175 E HN 0.547 nan 8.360 nan 0.000 0.466 176 Q N 0.272 120.073 119.800 0.001 0.000 2.124 176 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 176 Q C 2.226 178.213 176.000 -0.023 0.000 0.977 176 Q CA 1.059 56.859 55.803 -0.005 0.000 0.850 176 Q CB -0.076 28.646 28.738 -0.027 0.000 0.901 176 Q HN 0.425 nan 8.270 nan 0.000 0.429 177 I N 0.429 120.975 120.570 -0.040 0.000 2.333 177 I HA -0.245 3.925 4.170 -0.000 0.000 0.246 177 I C 2.309 178.412 176.117 -0.023 0.000 1.106 177 I CA 0.807 62.078 61.300 -0.048 0.000 1.411 177 I CB -0.162 37.795 38.000 -0.072 0.000 1.082 177 I HN 0.197 nan 8.210 nan 0.000 0.420 178 Q N 0.064 119.858 119.800 -0.009 0.000 2.170 178 Q HA -0.180 4.160 4.340 -0.000 0.000 0.203 178 Q C 1.914 177.920 176.000 0.009 0.000 0.976 178 Q CA 1.113 56.919 55.803 0.006 0.000 0.858 178 Q CB -0.019 28.732 28.738 0.021 0.000 0.907 178 Q HN 0.328 nan 8.270 nan 0.000 0.433 179 L N -0.756 120.473 121.223 0.010 0.000 2.552 179 L HA 0.089 4.429 4.340 -0.000 0.000 0.227 179 L C 1.270 178.144 176.870 0.007 0.000 1.146 179 L CA 1.594 56.442 54.840 0.013 0.000 0.858 179 L CB -0.545 41.526 42.059 0.020 0.000 0.969 179 L HN 0.392 nan 8.230 nan 0.000 0.451 180 G N -0.849 107.951 108.800 -0.001 0.000 2.148 180 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.254 180 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.254 180 G C 1.380 176.277 174.900 -0.006 0.000 0.981 180 G CA 0.716 45.814 45.100 -0.004 0.000 0.670 180 G HN 0.399 nan 8.290 nan 0.000 0.528 181 K N -0.864 119.532 120.400 -0.007 0.000 2.243 181 K HA 0.120 4.440 4.320 -0.000 0.000 0.201 181 K C 1.013 177.602 176.600 -0.019 0.000 1.051 181 K CA 0.799 57.084 56.287 -0.004 0.000 0.970 181 K CB 0.073 32.578 32.500 0.008 0.000 0.755 181 K HN 0.434 nan 8.250 nan 0.000 0.465 182 Q N -0.382 119.392 119.800 -0.043 0.000 2.456 182 Q HA 0.157 4.497 4.340 -0.000 0.000 0.283 182 Q C -0.470 175.457 176.000 -0.121 0.000 1.084 182 Q CA -0.385 55.373 55.803 -0.075 0.000 0.801 182 Q CB 1.934 30.620 28.738 -0.087 0.000 1.434 182 Q HN -0.059 nan 8.270 nan 0.000 0.419 183 D N 0.045 120.331 120.400 -0.189 0.000 2.379 183 D HA 0.293 4.933 4.640 -0.000 0.000 0.218 183 D C 0.242 176.306 176.300 -0.394 0.000 1.006 183 D CA 0.755 54.557 54.000 -0.329 0.000 0.893 183 D CB 1.361 41.837 40.800 -0.540 0.000 1.019 183 D HN 0.351 nan 8.370 nan 0.000 0.503 184 I N 0.719 121.084 120.570 -0.342 0.000 2.619 184 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 184 I C -1.201 174.700 176.117 -0.360 0.000 1.100 184 I CA -0.811 60.260 61.300 -0.382 0.000 1.043 184 I CB 3.338 41.071 38.000 -0.444 0.000 1.239 184 I HN -0.412 nan 8.210 nan 0.000 0.420 185 V N 5.632 125.303 119.914 -0.405 0.000 2.569 185 V HA 0.381 4.501 4.120 -0.000 0.000 0.301 185 V C -0.726 175.128 176.094 -0.399 0.000 1.044 185 V CA -0.595 61.513 62.300 -0.320 0.000 0.874 185 V CB 1.679 33.382 31.823 -0.200 0.000 1.002 185 V HN 0.388 nan 8.190 nan 0.000 0.424 186 F N 3.489 123.336 119.950 -0.170 0.000 2.445 186 F HA 0.662 5.189 4.527 -0.000 0.000 0.359 186 F C 0.777 176.477 175.800 -0.167 0.000 1.101 186 F CA 0.067 57.950 58.000 -0.195 0.000 1.177 186 F CB 1.048 39.895 39.000 -0.255 0.000 1.110 186 F HN 0.585 nan 8.300 nan 0.000 0.522 187 A N 2.655 125.460 122.820 -0.025 0.000 2.386 187 A HA 0.952 5.272 4.320 -0.000 0.000 0.311 187 A C 0.016 177.570 177.584 -0.050 0.000 1.068 187 A CA 0.076 52.081 52.037 -0.053 0.000 0.743 187 A CB 1.478 20.420 19.000 -0.097 0.000 1.258 187 A HN 1.005 nan 8.150 nan 0.000 0.429 188 G N -0.434 108.342 108.800 -0.041 0.000 2.512 188 G HA2 0.715 4.675 3.960 -0.000 0.000 0.181 188 G HA3 0.715 4.675 3.960 -0.000 0.000 0.181 188 G C -0.161 174.729 174.900 -0.017 0.000 1.173 188 G CA 0.422 45.497 45.100 -0.042 0.000 0.988 188 G HN 2.347 nan 8.290 nan 0.000 0.485 189 G N -2.162 106.633 108.800 -0.008 0.000 2.342 189 G HA2 0.811 4.771 3.960 -0.000 0.000 0.297 189 G HA3 0.811 4.771 3.960 -0.000 0.000 0.297 189 G C -0.523 174.400 174.900 0.038 0.000 1.313 189 G CA 0.712 45.823 45.100 0.019 0.000 0.830 189 G HN 2.124 nan 8.290 nan 0.000 0.506 190 G N -1.289 107.549 108.800 0.062 0.000 2.677 190 G HA2 0.686 4.646 3.960 -0.000 0.000 0.291 190 G HA3 0.686 4.646 3.960 -0.000 0.000 0.291 190 G C -1.972 172.992 174.900 0.106 0.000 1.435 190 G CA -0.283 44.883 45.100 0.111 0.000 0.826 190 G HN 0.719 nan 8.290 nan 0.000 0.491 191 E N -0.347 119.949 120.200 0.159 0.000 2.321 191 E HA 0.373 4.723 4.350 -0.000 0.000 0.281 191 E C -0.299 176.412 176.600 0.185 0.000 0.910 191 E CA -0.687 55.783 56.400 0.116 0.000 0.770 191 E CB 1.614 31.342 29.700 0.047 0.000 1.225 191 E HN 0.711 nan 8.360 nan 0.000 0.417 192 E N 3.075 123.341 120.200 0.110 0.000 2.345 192 E HA 0.405 4.755 4.350 -0.000 0.000 0.259 192 E C -0.789 175.855 176.600 0.074 0.000 1.117 192 E CA -0.821 55.638 56.400 0.099 0.000 0.913 192 E CB 1.131 30.843 29.700 0.021 0.000 1.057 192 E HN 0.250 nan 8.360 nan 0.000 0.432 193 L N 2.752 123.997 121.223 0.037 0.000 2.342 193 L HA 0.426 4.766 4.340 -0.000 0.000 0.276 193 L C -1.276 175.614 176.870 0.032 0.000 0.997 193 L CA -0.394 54.425 54.840 -0.036 0.000 0.838 193 L CB 0.645 42.538 42.059 -0.277 0.000 1.224 193 L HN 0.919 nan 8.230 nan 0.000 0.416 194 C N 2.015 121.390 119.300 0.125 0.000 3.285 194 C HA 0.475 4.935 4.460 -0.000 0.000 0.325 194 C C 1.100 176.182 174.990 0.154 0.000 1.304 194 C CA -0.945 58.153 59.018 0.134 0.000 1.319 194 C CB 0.824 28.517 27.740 -0.078 0.000 1.640 194 C HN 1.023 nan 8.230 nan 0.000 0.477 195 W N 0.799 122.205 121.300 0.178 0.000 2.425 195 W HA 0.051 4.711 4.660 0.000 0.000 0.277 195 W C 1.018 177.598 176.519 0.101 0.000 1.231 195 W CA 1.703 59.121 57.345 0.121 0.000 1.248 195 W CB -0.942 28.553 29.460 0.060 0.000 1.117 195 W HN 0.858 nan 8.180 nan 0.000 0.568 196 E N 0.896 120.500 120.200 -0.993 0.000 2.118 196 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 196 E C 2.314 178.753 176.600 -0.270 0.000 0.992 196 E CA 2.546 58.382 56.400 -0.941 0.000 0.804 196 E CB -0.583 28.589 29.700 -0.880 0.000 0.741 196 E HN 0.381 nan 8.360 nan 0.000 0.458 197 M N -0.694 118.844 119.600 -0.104 0.000 2.429 197 M HA 0.149 4.629 4.480 -0.000 0.000 0.265 197 M C 2.045 178.489 176.300 0.241 0.000 1.120 197 M CA 1.071 56.415 55.300 0.073 0.000 1.173 197 M CB 0.178 32.845 32.600 0.111 0.000 1.343 197 M HN 0.141 nan 8.290 nan 0.000 0.464 198 A N 0.451 123.422 122.820 0.252 0.000 1.933 198 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 198 A C 2.319 180.084 177.584 0.301 0.000 1.175 198 A CA 1.726 53.958 52.037 0.326 0.000 0.628 198 A CB -1.693 17.471 19.000 0.274 0.000 0.814 198 A HN 0.873 nan 8.150 nan 0.000 0.444 199 C N -0.570 118.890 119.300 0.266 0.000 2.422 199 C HA -0.065 4.395 4.460 -0.000 0.000 0.279 199 C C 2.163 177.246 174.990 0.155 0.000 1.305 199 C CA 1.014 60.170 59.018 0.230 0.000 1.757 199 C CB -1.539 26.387 27.740 0.311 0.000 1.962 199 C HN 0.657 nan 8.230 nan 0.000 0.499 200 E N 0.517 120.780 120.200 0.105 0.000 2.077 200 E HA -0.119 4.230 4.350 -0.000 0.000 0.193 200 E C 1.765 178.310 176.600 -0.092 0.000 0.989 200 E CA 1.528 57.904 56.400 -0.041 0.000 0.800 200 E CB -0.331 29.266 29.700 -0.173 0.000 0.746 200 E HN 0.785 nan 8.360 nan 0.000 0.452 201 F N 0.930 120.939 119.950 0.099 0.000 2.259 201 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 201 F C 2.177 177.998 175.800 0.035 0.000 1.088 201 F CA 0.889 58.948 58.000 0.098 0.000 1.358 201 F CB -0.044 38.996 39.000 0.066 0.000 1.040 201 F HN -0.038 nan 8.300 nan 0.000 0.505 202 D N 0.213 120.725 120.400 0.187 0.000 2.123 202 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 202 D C 2.283 178.630 176.300 0.079 0.000 0.976 202 D CA 1.183 55.241 54.000 0.097 0.000 0.831 202 D CB -0.205 40.649 40.800 0.089 0.000 0.974 202 D HN 0.139 nan 8.370 nan 0.000 0.469 203 A N 0.502 123.369 122.820 0.078 0.000 2.019 203 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 203 A C 2.240 179.854 177.584 0.050 0.000 1.164 203 A CA 1.501 53.571 52.037 0.054 0.000 0.644 203 A CB -0.689 18.338 19.000 0.045 0.000 0.805 203 A HN 0.410 nan 8.150 nan 0.000 0.449 204 M N -1.274 118.366 119.600 0.067 0.000 2.556 204 M HA 0.246 4.726 4.480 -0.000 0.000 0.245 204 M C 1.143 177.499 176.300 0.094 0.000 1.128 204 M CA 1.095 56.442 55.300 0.078 0.000 1.069 204 M CB 0.138 32.802 32.600 0.107 0.000 1.469 204 M HN 0.623 nan 8.290 nan 0.000 0.494 205 G N 0.288 109.139 108.800 0.085 0.000 2.143 205 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.248 205 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.248 205 G C 0.711 175.664 174.900 0.088 0.000 0.991 205 G CA 0.484 45.626 45.100 0.070 0.000 0.689 205 G HN 0.681 nan 8.290 nan 0.000 0.522 206 A N -0.816 122.081 122.820 0.127 0.000 2.072 206 A HA 0.611 4.931 4.320 -0.000 0.000 0.216 206 A C 1.355 178.845 177.584 -0.156 0.000 1.156 206 A CA 0.891 53.012 52.037 0.141 0.000 0.701 206 A CB 0.060 19.314 19.000 0.424 0.000 0.816 206 A HN 0.672 nan 8.150 nan 0.000 0.458 207 L N -0.154 120.935 121.223 -0.223 0.000 2.379 207 L HA 0.327 4.667 4.340 -0.000 0.000 0.269 207 L C 0.769 177.570 176.870 -0.115 0.000 1.084 207 L CA -0.547 54.099 54.840 -0.323 0.000 0.802 207 L CB 1.392 43.291 42.059 -0.267 0.000 1.175 207 L HN 0.162 nan 8.230 nan 0.000 0.448 208 S N -0.066 115.593 115.700 -0.069 0.000 2.549 208 S HA 0.165 4.635 4.470 -0.000 0.000 0.279 208 S C 0.725 175.327 174.600 0.003 0.000 1.321 208 S CA 0.113 58.337 58.200 0.040 0.000 1.054 208 S CB 0.495 63.768 63.200 0.122 0.000 0.899 208 S HN 0.821 nan 8.310 nan 0.000 0.497 209 T N 1.423 115.969 114.554 -0.013 0.000 3.041 209 T HA 0.330 4.680 4.350 -0.000 0.000 0.276 209 T C 0.879 175.492 174.700 -0.145 0.000 0.948 209 T CA -0.416 61.627 62.100 -0.096 0.000 0.885 209 T CB -0.108 68.696 68.868 -0.107 0.000 1.175 209 T HN 0.593 nan 8.240 nan 0.000 0.529 210 K N 0.312 120.587 120.400 -0.209 0.000 2.444 210 K HA 0.212 4.532 4.320 -0.000 0.000 0.193 210 K C -0.280 175.916 176.600 -0.673 0.000 1.024 210 K CA 0.436 56.438 56.287 -0.475 0.000 1.077 210 K CB 0.093 32.180 32.500 -0.688 0.000 0.833 210 K HN 0.502 nan 8.250 nan 0.000 0.517 211 Y N -0.353 119.945 120.300 -0.004 0.000 2.715 211 Y HA 0.205 4.755 4.550 -0.000 0.000 0.255 211 Y C 0.801 176.723 175.900 0.035 0.000 1.139 211 Y CA -0.678 57.432 58.100 0.017 0.000 1.151 211 Y CB 0.113 38.590 38.460 0.028 0.000 1.201 211 Y HN -0.013 nan 8.280 nan 0.000 0.556 212 N N 0.978 119.737 118.700 0.099 0.000 2.348 212 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 212 N C 1.103 176.734 175.510 0.201 0.000 1.019 212 N CA 1.696 54.841 53.050 0.158 0.000 0.880 212 N CB -0.071 38.475 38.487 0.098 0.000 0.965 212 N HN 0.611 nan 8.380 nan 0.000 0.437 213 D N -0.536 119.933 120.400 0.115 0.000 2.349 213 D HA -0.033 4.607 4.640 -0.000 0.000 0.215 213 D C 0.225 176.571 176.300 0.077 0.000 1.016 213 D CA 0.460 54.498 54.000 0.063 0.000 0.870 213 D CB -0.294 40.519 40.800 0.021 0.000 0.917 213 D HN 0.162 nan 8.370 nan 0.000 0.524 214 T N -1.911 112.721 114.554 0.130 0.000 3.542 214 T HA 0.266 4.615 4.350 -0.000 0.000 0.276 214 T C -2.042 172.743 174.700 0.143 0.000 1.412 214 T CA -1.272 60.901 62.100 0.122 0.000 1.664 214 T CB 1.767 70.715 68.868 0.133 0.000 0.863 214 T HN -0.253 nan 8.240 nan 0.000 0.661 215 P HA -0.204 nan 4.420 nan 0.000 0.217 215 P C 1.151 178.511 177.300 0.101 0.000 1.151 215 P CA 1.399 64.591 63.100 0.152 0.000 0.849 215 P CB 0.261 32.074 31.700 0.188 0.000 0.787 216 E N -0.225 120.020 120.200 0.076 0.000 2.472 216 E HA -0.108 4.242 4.350 -0.000 0.000 0.200 216 E C 1.356 177.956 176.600 -0.001 0.000 1.046 216 E CA 0.697 57.121 56.400 0.040 0.000 0.871 216 E CB -0.182 29.539 29.700 0.034 0.000 0.806 216 E HN 0.466 nan 8.360 nan 0.000 0.533 217 K N -0.551 119.838 120.400 -0.018 0.000 2.402 217 K HA 0.242 4.562 4.320 -0.000 0.000 0.204 217 K C 1.560 177.978 176.600 -0.303 0.000 1.056 217 K CA 0.165 56.377 56.287 -0.125 0.000 1.069 217 K CB 0.949 33.387 32.500 -0.102 0.000 0.888 217 K HN -0.043 nan 8.250 nan 0.000 0.546 218 A N 1.239 123.972 122.820 -0.145 0.000 1.898 218 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 218 A C 1.364 178.869 177.584 -0.132 0.000 1.181 218 A CA 1.107 53.070 52.037 -0.123 0.000 0.620 218 A CB -0.054 19.013 19.000 0.112 0.000 0.819 218 A HN 0.149 nan 8.150 nan 0.000 0.442 219 S N 0.443 116.104 115.700 -0.065 0.000 2.416 219 S HA 0.437 4.907 4.470 -0.000 0.000 0.287 219 S C 0.178 174.720 174.600 -0.096 0.000 1.139 219 S CA -0.617 57.558 58.200 -0.042 0.000 1.058 219 S CB -0.155 63.045 63.200 0.001 0.000 0.967 219 S HN 0.493 nan 8.310 nan 0.000 0.495 220 R N 2.501 122.935 120.500 -0.110 0.000 2.627 220 R HA 0.228 4.568 4.340 -0.000 0.000 0.251 220 R C -0.706 175.524 176.300 -0.116 0.000 1.524 220 R CA -0.657 55.374 56.100 -0.115 0.000 1.606 220 R CB -0.749 29.459 30.300 -0.154 0.000 1.396 220 R HN 0.381 nan 8.270 nan 0.000 0.724 221 T N 2.150 116.590 114.554 -0.189 0.000 2.849 221 T HA -0.079 4.271 4.350 -0.000 0.000 0.289 221 T C -0.021 174.457 174.700 -0.369 0.000 1.010 221 T CA 0.902 62.758 62.100 -0.407 0.000 1.161 221 T CB -0.096 68.397 68.868 -0.624 0.000 0.989 221 T HN 0.578 nan 8.240 nan 0.000 0.523 222 Y N -1.263 119.040 120.300 0.005 0.000 4.766 222 Y HA -0.221 4.329 4.550 -0.000 0.000 0.289 222 Y C 0.757 176.651 175.900 -0.011 0.000 0.965 222 Y CA 0.485 58.586 58.100 0.002 0.000 1.738 222 Y CB -2.224 36.238 38.460 0.003 0.000 1.062 222 Y HN 0.793 nan 8.280 nan 0.000 0.440 223 D N 0.606 121.053 120.400 0.079 0.000 2.372 223 D HA 0.521 5.160 4.640 -0.000 0.000 0.243 223 D C 1.301 177.589 176.300 -0.021 0.000 1.121 223 D CA 0.823 54.843 54.000 0.033 0.000 0.898 223 D CB 1.209 42.019 40.800 0.017 0.000 1.202 223 D HN 0.285 nan 8.370 nan 0.000 0.428 224 A N 2.720 125.463 122.820 -0.128 0.000 2.172 224 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 224 A C 1.024 178.357 177.584 -0.418 0.000 1.154 224 A CA 1.139 53.006 52.037 -0.284 0.000 0.701 224 A CB -0.501 18.264 19.000 -0.391 0.000 0.789 224 A HN 0.772 nan 8.150 nan 0.000 0.465 225 H N -0.457 118.670 119.070 0.094 0.000 2.486 225 H HA 0.167 4.723 4.556 -0.000 0.000 0.284 225 H C 0.480 175.920 175.328 0.187 0.000 1.103 225 H CA -0.492 55.641 56.048 0.141 0.000 1.089 225 H CB 0.168 30.038 29.762 0.180 0.000 1.603 225 H HN 0.557 nan 8.280 nan 0.000 0.557 226 R N 1.484 122.077 120.500 0.156 0.000 2.694 226 R HA 0.026 4.366 4.340 -0.000 0.000 0.268 226 R C -0.459 175.952 176.300 0.185 0.000 1.061 226 R CA 0.319 56.501 56.100 0.138 0.000 1.133 226 R CB 0.485 30.817 30.300 0.054 0.000 1.020 226 R HN 0.236 nan 8.270 nan 0.000 0.475 227 D N 0.089 120.614 120.400 0.208 0.000 2.712 227 D HA 0.228 4.868 4.640 -0.000 0.000 0.300 227 D C 0.099 176.476 176.300 0.128 0.000 1.521 227 D CA 0.011 54.111 54.000 0.167 0.000 0.790 227 D CB 0.548 41.450 40.800 0.170 0.000 1.155 227 D HN 0.890 nan 8.370 nan 0.000 0.456 228 G N 0.391 109.270 108.800 0.133 0.000 2.340 228 G HA2 0.261 4.221 3.960 -0.000 0.000 0.527 228 G HA3 0.261 4.221 3.960 -0.000 0.000 0.527 228 G C -0.645 174.347 174.900 0.152 0.000 1.381 228 G CA -0.716 44.459 45.100 0.126 0.000 1.001 228 G HN 0.269 nan 8.290 nan 0.000 0.626 229 F N -0.515 119.491 119.950 0.094 0.000 2.375 229 F HA 0.813 5.340 4.527 -0.000 0.000 0.313 229 F C 0.234 176.073 175.800 0.064 0.000 1.176 229 F CA -1.340 56.700 58.000 0.067 0.000 1.142 229 F CB 1.152 40.212 39.000 0.099 0.000 1.275 229 F HN 0.378 nan 8.300 nan 0.000 0.544 230 V N 3.820 123.922 119.914 0.313 0.000 2.384 230 V HA 0.270 4.390 4.120 -0.000 0.000 0.287 230 V C 0.147 176.428 176.094 0.312 0.000 1.020 230 V CA -0.885 61.529 62.300 0.189 0.000 0.850 230 V CB 1.204 33.119 31.823 0.154 0.000 0.987 230 V HN 0.838 nan 8.190 nan 0.000 0.436 231 I N 4.702 125.399 120.570 0.212 0.000 2.692 231 I HA 0.523 4.693 4.170 -0.000 0.000 0.284 231 I C 0.508 176.719 176.117 0.157 0.000 1.159 231 I CA 0.541 61.967 61.300 0.209 0.000 1.423 231 I CB 0.895 38.960 38.000 0.108 0.000 1.380 231 I HN 0.810 nan 8.210 nan 0.000 0.580 232 A N 4.746 127.603 122.820 0.062 0.000 2.552 232 A HA 0.939 5.259 4.320 -0.000 0.000 0.288 232 A C -0.612 176.930 177.584 -0.069 0.000 1.193 232 A CA -0.096 51.934 52.037 -0.012 0.000 0.713 232 A CB 1.335 20.339 19.000 0.007 0.000 1.305 232 A HN 0.837 nan 8.150 nan 0.000 0.424 233 G N -2.348 106.375 108.800 -0.129 0.000 2.727 233 G HA2 0.900 4.860 3.960 -0.000 0.000 0.289 233 G HA3 0.900 4.860 3.960 -0.000 0.000 0.289 233 G C -0.130 174.635 174.900 -0.225 0.000 1.418 233 G CA -0.067 44.966 45.100 -0.111 0.000 0.818 233 G HN 2.359 nan 8.290 nan 0.000 0.486 234 G N -2.046 106.603 108.800 -0.252 0.000 2.320 234 G HA2 0.641 4.601 3.960 -0.000 0.000 0.274 234 G HA3 0.641 4.601 3.960 -0.000 0.000 0.274 234 G C -0.248 174.589 174.900 -0.105 0.000 1.324 234 G CA 0.341 45.151 45.100 -0.483 0.000 0.957 234 G HN 2.139 nan 8.290 nan 0.000 0.481 235 G N -1.881 106.865 108.800 -0.090 0.000 2.649 235 G HA2 0.992 4.952 3.960 -0.000 0.000 0.290 235 G HA3 0.992 4.952 3.960 -0.000 0.000 0.290 235 G C -0.384 174.495 174.900 -0.035 0.000 1.426 235 G CA 0.498 45.610 45.100 0.019 0.000 0.794 235 G HN 2.145 nan 8.290 nan 0.000 0.483 236 G N -1.369 107.411 108.800 -0.034 0.000 2.673 236 G HA2 0.694 4.654 3.960 -0.000 0.000 0.292 236 G HA3 0.694 4.654 3.960 -0.000 0.000 0.292 236 G C -1.701 173.160 174.900 -0.065 0.000 1.450 236 G CA -0.585 44.472 45.100 -0.073 0.000 0.837 236 G HN 1.017 nan 8.290 nan 0.000 0.505 237 M N 0.796 120.349 119.600 -0.079 0.000 2.365 237 M HA 0.619 5.099 4.480 -0.000 0.000 0.288 237 M C -1.117 175.136 176.300 -0.078 0.000 1.152 237 M CA -0.621 54.637 55.300 -0.070 0.000 0.948 237 M CB 2.275 34.831 32.600 -0.073 0.000 1.729 237 M HN 1.208 nan 8.290 nan 0.000 0.487 238 V N 1.616 121.485 119.914 -0.076 0.000 2.914 238 V HA 0.908 5.028 4.120 -0.000 0.000 0.314 238 V C -1.166 174.873 176.094 -0.092 0.000 1.084 238 V CA -0.910 61.332 62.300 -0.096 0.000 0.963 238 V CB 1.887 33.631 31.823 -0.132 0.000 1.025 238 V HN 0.610 nan 8.190 nan 0.000 0.432 239 V N 3.731 123.577 119.914 -0.114 0.000 2.334 239 V HA 0.354 4.474 4.120 -0.000 0.000 0.267 239 V C 0.123 176.089 176.094 -0.213 0.000 1.040 239 V CA -0.318 61.841 62.300 -0.236 0.000 0.866 239 V CB 1.121 32.822 31.823 -0.204 0.000 1.019 239 V HN 0.736 nan 8.190 nan 0.000 0.468 240 V N 5.315 125.073 119.914 -0.260 0.000 2.383 240 V HA 0.479 4.599 4.120 -0.000 0.000 0.275 240 V C 0.070 176.028 176.094 -0.226 0.000 1.036 240 V CA -0.266 61.915 62.300 -0.199 0.000 0.889 240 V CB 1.335 33.049 31.823 -0.181 0.000 0.985 240 V HN 0.971 nan 8.190 nan 0.000 0.459 241 E N 2.841 122.943 120.200 -0.163 0.000 2.367 241 E HA 0.353 4.703 4.350 -0.000 0.000 0.273 241 E C -0.864 175.676 176.600 -0.099 0.000 0.903 241 E CA -0.742 55.562 56.400 -0.159 0.000 0.764 241 E CB 1.918 31.547 29.700 -0.118 0.000 1.252 241 E HN 0.679 nan 8.360 nan 0.000 0.446 242 E N 3.301 123.440 120.200 -0.102 0.000 2.373 242 E HA -0.014 4.336 4.350 -0.000 0.000 0.267 242 E C 0.760 177.367 176.600 0.012 0.000 1.032 242 E CA -0.094 56.280 56.400 -0.042 0.000 0.889 242 E CB 1.204 30.879 29.700 -0.042 0.000 0.984 242 E HN 0.624 nan 8.360 nan 0.000 0.425 243 L N 5.182 126.408 121.223 0.005 0.000 1.990 243 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 243 L C 1.950 178.834 176.870 0.024 0.000 1.072 243 L CA 1.938 56.783 54.840 0.009 0.000 0.755 243 L CB -0.379 41.679 42.059 -0.002 0.000 0.889 243 L HN 0.546 nan 8.230 nan 0.000 0.432 244 E N -1.029 119.191 120.200 0.032 0.000 2.051 244 E HA -0.267 4.083 4.350 -0.000 0.000 0.192 244 E C 2.236 178.859 176.600 0.039 0.000 0.991 244 E CA 1.409 57.825 56.400 0.027 0.000 0.799 244 E CB -0.759 28.956 29.700 0.026 0.000 0.748 244 E HN 0.656 nan 8.360 nan 0.000 0.449 245 H N 0.624 119.680 119.070 -0.024 0.000 2.352 245 H HA -0.074 4.482 4.556 -0.000 0.000 0.299 245 H C 1.813 177.125 175.328 -0.027 0.000 1.097 245 H CA 1.850 57.884 56.048 -0.024 0.000 1.311 245 H CB 0.162 29.906 29.762 -0.030 0.000 1.377 245 H HN 0.131 nan 8.280 nan 0.000 0.504 246 A N 1.010 123.905 122.820 0.124 0.000 1.873 246 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 246 A C 2.909 180.488 177.584 -0.008 0.000 1.186 246 A CA 1.122 53.194 52.037 0.058 0.000 0.616 246 A CB -0.810 18.210 19.000 0.034 0.000 0.823 246 A HN 0.402 nan 8.150 nan 0.000 0.442 247 L N -0.672 120.542 121.223 -0.015 0.000 2.046 247 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 247 L C 3.056 179.900 176.870 -0.043 0.000 1.077 247 L CA 1.032 55.855 54.840 -0.028 0.000 0.747 247 L CB -0.553 41.492 42.059 -0.022 0.000 0.896 247 L HN 0.426 nan 8.230 nan 0.000 0.432 248 A N 0.970 123.751 122.820 -0.064 0.000 2.024 248 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 248 A C 2.220 179.746 177.584 -0.096 0.000 1.164 248 A CA 1.791 53.777 52.037 -0.086 0.000 0.643 248 A CB -0.528 18.400 19.000 -0.121 0.000 0.806 248 A HN 0.603 nan 8.150 nan 0.000 0.451 249 R N -1.676 118.760 120.500 -0.106 0.000 2.393 249 R HA 0.377 4.717 4.340 -0.000 0.000 0.244 249 R C 0.949 177.226 176.300 -0.038 0.000 0.920 249 R CA 0.599 56.651 56.100 -0.080 0.000 1.076 249 R CB -0.533 29.708 30.300 -0.098 0.000 1.119 249 R HN 0.714 nan 8.270 nan 0.000 0.524 250 G N 0.841 109.622 108.800 -0.032 0.000 2.198 250 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.257 250 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.257 250 G C 0.294 175.193 174.900 -0.002 0.000 1.042 250 G CA 0.134 45.224 45.100 -0.016 0.000 0.791 250 G HN 0.703 nan 8.290 nan 0.000 0.502 251 A N -0.418 122.401 122.820 -0.002 0.000 2.406 251 A HA 0.589 4.909 4.320 -0.000 0.000 0.243 251 A C 0.374 177.965 177.584 0.012 0.000 1.082 251 A CA 0.448 52.495 52.037 0.016 0.000 0.786 251 A CB 0.309 19.318 19.000 0.015 0.000 1.029 251 A HN 1.489 nan 8.150 nan 0.000 0.495 252 H N 0.583 119.606 119.070 -0.078 0.000 2.604 252 H HA 0.545 5.101 4.556 -0.000 0.000 0.306 252 H C -0.786 174.438 175.328 -0.174 0.000 1.075 252 H CA -0.400 55.556 56.048 -0.152 0.000 1.357 252 H CB 0.211 29.840 29.762 -0.220 0.000 1.426 252 H HN 0.425 nan 8.280 nan 0.000 0.470 253 I N 7.059 127.241 120.570 -0.647 0.000 2.312 253 I HA 0.025 4.195 4.170 -0.000 0.000 0.290 253 I C 0.059 175.808 176.117 -0.613 0.000 1.008 253 I CA -0.369 60.658 61.300 -0.455 0.000 1.226 253 I CB 0.838 38.706 38.000 -0.220 0.000 1.371 253 I HN 0.775 nan 8.210 nan 0.000 0.468 254 Y N 5.183 125.272 120.300 -0.352 0.000 2.220 254 Y HA 0.214 4.764 4.550 -0.000 0.000 0.291 254 Y C 1.261 177.081 175.900 -0.135 0.000 1.129 254 Y CA 0.947 58.922 58.100 -0.207 0.000 1.161 254 Y CB 0.135 38.550 38.460 -0.073 0.000 0.997 254 Y HN 0.667 nan 8.280 nan 0.000 0.522 255 A N -0.837 122.017 122.820 0.057 0.000 2.544 255 A HA 0.417 4.737 4.320 -0.000 0.000 0.291 255 A C -1.527 176.055 177.584 -0.003 0.000 1.055 255 A CA -0.846 51.200 52.037 0.015 0.000 0.651 255 A CB 0.791 19.810 19.000 0.032 0.000 1.296 255 A HN 0.054 nan 8.150 nan 0.000 0.431 256 E N 0.421 120.616 120.200 -0.008 0.000 2.191 256 E HA 0.610 4.960 4.350 -0.000 0.000 0.274 256 E C -1.203 175.394 176.600 -0.005 0.000 0.948 256 E CA -0.611 55.782 56.400 -0.011 0.000 0.802 256 E CB 0.990 30.684 29.700 -0.010 0.000 1.137 256 E HN 0.495 nan 8.360 nan 0.000 0.397 257 I N 5.665 126.229 120.570 -0.010 0.000 2.308 257 I HA 0.029 4.199 4.170 -0.000 0.000 0.293 257 I C 1.151 177.278 176.117 0.018 0.000 1.078 257 I CA -0.255 61.044 61.300 -0.002 0.000 1.292 257 I CB 0.936 38.923 38.000 -0.023 0.000 1.423 257 I HN 0.495 nan 8.210 nan 0.000 0.493 258 V N 2.761 122.693 119.914 0.030 0.000 3.590 258 V HA 0.499 4.619 4.120 -0.000 0.000 0.265 258 V C 0.725 176.856 176.094 0.062 0.000 1.239 258 V CA 0.278 62.601 62.300 0.038 0.000 1.117 258 V CB -0.088 31.753 31.823 0.029 0.000 0.818 258 V HN 0.714 nan 8.190 nan 0.000 0.451 259 G N -0.620 108.229 108.800 0.081 0.000 2.742 259 G HA2 0.551 4.511 3.960 -0.000 0.000 0.296 259 G HA3 0.551 4.511 3.960 -0.000 0.000 0.296 259 G C -2.349 172.660 174.900 0.181 0.000 1.436 259 G CA -0.590 44.578 45.100 0.113 0.000 0.928 259 G HN 0.369 nan 8.290 nan 0.000 0.520 260 Y N 0.861 121.179 120.300 0.030 0.000 2.358 260 Y HA 0.670 5.220 4.550 -0.000 0.000 0.324 260 Y C -0.259 175.665 175.900 0.040 0.000 1.123 260 Y CA -1.055 57.061 58.100 0.027 0.000 1.067 260 Y CB 1.758 40.233 38.460 0.025 0.000 1.230 260 Y HN 0.899 nan 8.280 nan 0.000 0.429 261 G N 3.052 111.711 108.800 -0.236 0.000 2.495 261 G HA2 0.763 4.723 3.960 -0.000 0.000 0.318 261 G HA3 0.763 4.723 3.960 -0.000 0.000 0.318 261 G C -1.745 172.924 174.900 -0.385 0.000 1.257 261 G CA -0.629 44.284 45.100 -0.313 0.000 0.962 261 G HN 1.154 nan 8.290 nan 0.000 0.483 262 A N 1.579 124.197 122.820 -0.336 0.000 2.446 262 A HA 0.853 5.173 4.320 -0.000 0.000 0.282 262 A C 0.030 177.597 177.584 -0.027 0.000 1.102 262 A CA -0.101 51.887 52.037 -0.083 0.000 0.737 262 A CB 1.202 20.157 19.000 -0.075 0.000 1.212 262 A HN 1.507 nan 8.150 nan 0.000 0.434 263 T N -1.406 113.174 114.554 0.043 0.000 2.742 263 T HA 0.869 5.219 4.350 -0.000 0.000 0.282 263 T C -0.226 174.495 174.700 0.036 0.000 1.025 263 T CA -0.538 61.569 62.100 0.010 0.000 1.020 263 T CB 1.769 70.627 68.868 -0.017 0.000 1.317 263 T HN 1.283 nan 8.240 nan 0.000 0.538 264 S N -1.092 114.610 115.700 0.005 0.000 2.541 264 S HA 0.460 4.930 4.470 -0.000 0.000 0.280 264 S C -0.254 174.337 174.600 -0.015 0.000 1.112 264 S CA -0.612 57.593 58.200 0.009 0.000 0.925 264 S CB 1.677 64.880 63.200 0.004 0.000 1.067 264 S HN 0.703 nan 8.310 nan 0.000 0.479 265 D N 2.561 122.952 120.400 -0.016 0.000 2.137 265 D HA 0.156 4.795 4.640 -0.000 0.000 0.202 265 D C 1.446 177.731 176.300 -0.025 0.000 0.970 265 D CA 1.524 55.504 54.000 -0.034 0.000 0.837 265 D CB -0.519 40.259 40.800 -0.037 0.000 0.981 265 D HN 1.055 nan 8.370 nan 0.000 0.475 266 G N 0.172 108.964 108.800 -0.013 0.000 2.295 266 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.287 266 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.287 266 G C 0.620 175.511 174.900 -0.015 0.000 1.055 266 G CA 0.916 46.009 45.100 -0.012 0.000 0.922 266 G HN 0.627 nan 8.290 nan 0.000 0.503 267 A N -1.156 121.654 122.820 -0.015 0.000 1.780 267 A HA 0.627 4.947 4.320 -0.000 0.000 0.178 267 A C 0.533 178.106 177.584 -0.018 0.000 2.054 267 A CA 0.930 52.956 52.037 -0.018 0.000 1.289 267 A CB 0.400 19.386 19.000 -0.025 0.000 0.942 267 A HN 0.426 nan 8.150 nan 0.000 0.659 268 D N -0.794 119.593 120.400 -0.022 0.000 2.198 268 D HA 0.442 5.082 4.640 -0.000 0.000 0.247 268 D C 0.407 176.687 176.300 -0.034 0.000 1.010 268 D CA -0.459 53.524 54.000 -0.029 0.000 0.880 268 D CB 1.959 42.737 40.800 -0.036 0.000 1.209 268 D HN 0.146 nan 8.370 nan 0.000 0.451 269 M N 2.703 122.276 119.600 -0.046 0.000 2.349 269 M HA -0.029 4.451 4.480 -0.000 0.000 0.266 269 M C 0.949 177.168 176.300 -0.135 0.000 1.076 269 M CA 1.394 56.664 55.300 -0.050 0.000 1.126 269 M CB 0.277 32.853 32.600 -0.040 0.000 1.392 269 M HN 0.328 nan 8.290 nan 0.000 0.440 270 V N -1.364 118.417 119.914 -0.221 0.000 3.473 270 V HA 0.456 4.576 4.120 -0.000 0.000 0.253 270 V C 0.431 176.318 176.094 -0.344 0.000 1.340 270 V CA 0.367 62.360 62.300 -0.512 0.000 1.103 270 V CB 0.434 31.965 31.823 -0.488 0.000 0.881 270 V HN 0.313 nan 8.190 nan 0.000 0.451 271 A N 2.178 124.915 122.820 -0.139 0.000 2.324 271 A HA 0.800 5.120 4.320 -0.000 0.000 0.330 271 A C -2.686 174.892 177.584 -0.011 0.000 1.165 271 A CA -1.593 50.419 52.037 -0.042 0.000 0.813 271 A CB 0.656 19.643 19.000 -0.021 0.000 1.197 271 A HN 0.159 nan 8.150 nan 0.000 0.484 272 P HA 0.139 nan 4.420 nan 0.000 0.278 272 P C 0.584 177.858 177.300 -0.044 0.000 1.238 272 P CA -0.077 63.012 63.100 -0.019 0.000 0.794 272 P CB 1.507 33.196 31.700 -0.019 0.000 0.955 273 S N 0.964 116.620 115.700 -0.074 0.000 2.478 273 S HA 0.168 4.638 4.470 -0.000 0.000 0.222 273 S C 1.622 176.174 174.600 -0.081 0.000 1.008 273 S CA 0.853 59.015 58.200 -0.064 0.000 0.928 273 S CB -0.955 62.209 63.200 -0.060 0.000 0.781 273 S HN 0.740 nan 8.310 nan 0.000 0.518 274 G N 1.778 110.497 108.800 -0.136 0.000 2.417 274 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.233 274 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.233 274 G C 0.928 175.742 174.900 -0.143 0.000 1.103 274 G CA 0.562 45.577 45.100 -0.141 0.000 0.647 274 G HN 0.483 nan 8.290 nan 0.000 0.512 275 E N 1.648 121.783 120.200 -0.109 0.000 2.072 275 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 275 E C 2.633 179.167 176.600 -0.111 0.000 0.985 275 E CA 1.999 58.344 56.400 -0.091 0.000 0.801 275 E CB -0.871 28.790 29.700 -0.066 0.000 0.750 275 E HN 0.616 nan 8.360 nan 0.000 0.452 276 G N 0.605 109.324 108.800 -0.135 0.000 2.422 276 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 276 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 276 G C 1.680 176.470 174.900 -0.183 0.000 1.140 276 G CA 0.971 45.991 45.100 -0.133 0.000 0.775 276 G HN 0.400 nan 8.290 nan 0.000 0.545 277 A N 0.183 122.806 122.820 -0.328 0.000 1.929 277 A HA 0.155 4.475 4.320 -0.000 0.000 0.216 277 A C 2.571 180.070 177.584 -0.142 0.000 1.176 277 A CA 1.541 53.317 52.037 -0.436 0.000 0.628 277 A CB -0.495 18.004 19.000 -0.835 0.000 0.816 277 A HN 0.210 nan 8.150 nan 0.000 0.444 278 V N 0.139 119.979 119.914 -0.123 0.000 2.261 278 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 278 V C 2.649 178.703 176.094 -0.067 0.000 1.047 278 V CA 2.323 64.576 62.300 -0.078 0.000 1.015 278 V CB -0.796 30.981 31.823 -0.076 0.000 0.642 278 V HN 0.527 nan 8.190 nan 0.000 0.446 279 R N -1.093 119.366 120.500 -0.068 0.000 2.096 279 R HA -0.202 4.138 4.340 -0.000 0.000 0.235 279 R C 2.403 178.679 176.300 -0.041 0.000 1.127 279 R CA 1.733 57.799 56.100 -0.057 0.000 0.968 279 R CB -0.881 29.384 30.300 -0.058 0.000 0.861 279 R HN 0.576 nan 8.270 nan 0.000 0.440 280 C N 0.666 119.952 119.300 -0.022 0.000 2.432 280 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 280 C C 2.609 177.622 174.990 0.038 0.000 1.249 280 C CA 0.827 59.857 59.018 0.020 0.000 1.725 280 C CB -0.651 27.152 27.740 0.104 0.000 2.028 280 C HN 0.459 nan 8.230 nan 0.000 0.477 281 M N 0.065 119.698 119.600 0.055 0.000 2.175 281 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 281 M C 2.264 178.557 176.300 -0.012 0.000 1.063 281 M CA 1.701 57.029 55.300 0.048 0.000 1.119 281 M CB -0.472 32.161 32.600 0.056 0.000 1.377 281 M HN 0.369 nan 8.290 nan 0.000 0.415 282 K N 0.088 120.461 120.400 -0.045 0.000 2.097 282 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 282 K C 1.991 178.600 176.600 0.013 0.000 1.049 282 K CA 1.293 57.555 56.287 -0.042 0.000 0.933 282 K CB -0.200 32.269 32.500 -0.051 0.000 0.717 282 K HN 0.353 nan 8.250 nan 0.000 0.442 283 M N 0.431 120.027 119.600 -0.006 0.000 2.175 283 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 283 M C 2.047 178.365 176.300 0.031 0.000 1.063 283 M CA 1.593 56.885 55.300 -0.014 0.000 1.119 283 M CB -0.033 32.525 32.600 -0.071 0.000 1.377 283 M HN 0.152 nan 8.290 nan 0.000 0.415 284 A N -0.075 122.762 122.820 0.029 0.000 2.014 284 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 284 A C 1.895 179.524 177.584 0.076 0.000 1.163 284 A CA 1.130 53.201 52.037 0.058 0.000 0.652 284 A CB -0.527 18.512 19.000 0.065 0.000 0.808 284 A HN 0.618 nan 8.150 nan 0.000 0.449 285 M N -0.748 118.891 119.600 0.065 0.000 2.561 285 M HA 0.049 4.529 4.480 -0.000 0.000 0.238 285 M C 0.444 176.769 176.300 0.042 0.000 1.131 285 M CA 0.068 55.398 55.300 0.050 0.000 1.046 285 M CB -0.006 32.604 32.600 0.017 0.000 1.532 285 M HN 0.402 nan 8.290 nan 0.000 0.497 286 H N 0.640 119.705 119.070 -0.007 0.000 3.091 286 H HA 0.034 4.590 4.556 -0.000 0.000 0.289 286 H C 1.009 176.338 175.328 0.002 0.000 0.995 286 H CA 1.745 57.788 56.048 -0.009 0.000 1.461 286 H CB 0.407 30.160 29.762 -0.015 0.000 1.510 286 H HN 0.611 nan 8.280 nan 0.000 0.546 287 G N 4.034 112.609 108.800 -0.375 0.000 2.179 287 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 287 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 287 G C 0.162 175.016 174.900 -0.077 0.000 0.977 287 G CA 0.262 45.244 45.100 -0.196 0.000 0.641 287 G HN 0.581 nan 8.290 nan 0.000 0.533 288 V N 2.903 122.787 119.914 -0.050 0.000 2.353 288 V HA 0.287 4.407 4.120 -0.000 0.000 0.264 288 V C 1.278 177.362 176.094 -0.017 0.000 1.049 288 V CA 0.194 62.488 62.300 -0.010 0.000 0.896 288 V CB 1.291 33.126 31.823 0.021 0.000 1.025 288 V HN 0.475 nan 8.190 nan 0.000 0.475 289 D N 2.663 123.054 120.400 -0.015 0.000 2.363 289 D HA -0.049 4.591 4.640 -0.000 0.000 0.220 289 D C 0.831 177.132 176.300 0.002 0.000 0.994 289 D CA 0.284 54.276 54.000 -0.014 0.000 0.890 289 D CB 0.055 40.845 40.800 -0.016 0.000 0.906 289 D HN 0.587 nan 8.370 nan 0.000 0.530 290 T N -1.070 113.491 114.554 0.012 0.000 2.925 290 T HA 0.524 4.873 4.350 -0.000 0.000 0.285 290 T C -2.496 172.226 174.700 0.037 0.000 1.021 290 T CA -1.742 60.370 62.100 0.021 0.000 1.042 290 T CB 2.157 71.036 68.868 0.019 0.000 1.037 290 T HN -0.151 nan 8.240 nan 0.000 0.481 291 P HA 0.297 nan 4.420 nan 0.000 0.274 291 P C -0.502 176.832 177.300 0.057 0.000 1.237 291 P CA -0.657 62.479 63.100 0.061 0.000 0.793 291 P CB 0.558 32.285 31.700 0.045 0.000 0.977 292 I N 2.778 123.393 120.570 0.074 0.000 2.379 292 I HA 0.034 4.204 4.170 -0.000 0.000 0.290 292 I C 1.311 177.407 176.117 -0.036 0.000 1.063 292 I CA 0.274 61.591 61.300 0.027 0.000 1.351 292 I CB 0.217 38.239 38.000 0.037 0.000 1.410 292 I HN 0.320 nan 8.210 nan 0.000 0.505 293 D N 5.049 125.450 120.400 0.001 0.000 2.213 293 D HA -0.080 4.560 4.640 -0.000 0.000 0.205 293 D C 0.042 176.376 176.300 0.057 0.000 0.961 293 D CA 1.370 55.380 54.000 0.016 0.000 0.853 293 D CB 0.431 41.254 40.800 0.038 0.000 0.967 293 D HN 0.517 nan 8.370 nan 0.000 0.496 294 Y N 0.211 120.456 120.300 -0.091 0.000 2.513 294 Y HA 0.472 5.022 4.550 -0.000 0.000 0.340 294 Y C -2.009 173.836 175.900 -0.092 0.000 1.055 294 Y CA -1.130 56.911 58.100 -0.098 0.000 1.020 294 Y CB 1.436 39.844 38.460 -0.088 0.000 1.301 294 Y HN -0.239 nan 8.280 nan 0.000 0.453 295 L N 6.985 127.622 121.223 -0.978 0.000 2.372 295 L HA 0.477 4.817 4.340 -0.000 0.000 0.274 295 L C -1.093 175.199 176.870 -0.964 0.000 0.988 295 L CA -0.517 53.870 54.840 -0.756 0.000 0.833 295 L CB 0.916 42.732 42.059 -0.405 0.000 1.236 295 L HN 0.794 nan 8.230 nan 0.000 0.410 296 N N 3.659 121.940 118.700 -0.699 0.000 2.439 296 N HA 0.107 4.847 4.740 -0.000 0.000 0.243 296 N C -0.312 175.096 175.510 -0.170 0.000 1.088 296 N CA -0.200 52.655 53.050 -0.325 0.000 0.940 296 N CB 0.956 39.417 38.487 -0.044 0.000 1.180 296 N HN 0.713 nan 8.380 nan 0.000 0.505 297 S N 2.638 118.278 115.700 -0.100 0.000 2.600 297 S HA -0.011 4.459 4.470 -0.000 0.000 0.265 297 S C 1.325 175.895 174.600 -0.050 0.000 1.325 297 S CA -0.214 57.971 58.200 -0.025 0.000 1.002 297 S CB 1.179 64.447 63.200 0.114 0.000 0.921 297 S HN 0.727 nan 8.310 nan 0.000 0.554 298 H N 2.171 121.134 119.070 -0.179 0.000 2.326 298 H HA 0.137 4.693 4.556 -0.000 0.000 0.301 298 H C 1.564 176.782 175.328 -0.184 0.000 1.081 298 H CA 1.363 57.260 56.048 -0.251 0.000 1.334 298 H CB -1.101 28.471 29.762 -0.316 0.000 1.385 298 H HN 1.066 nan 8.280 nan 0.000 0.504 299 G N 0.837 109.550 108.800 -0.145 0.000 2.394 299 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.264 299 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.264 299 G C 1.009 175.669 174.900 -0.399 0.000 0.282 299 G CA 0.982 45.924 45.100 -0.263 0.000 1.090 299 G HN 0.775 nan 8.290 nan 0.000 0.486 300 T N -1.224 113.089 114.554 -0.401 0.000 3.113 300 T HA 0.346 4.696 4.350 -0.000 0.000 0.256 300 T C 1.385 176.033 174.700 -0.087 0.000 1.131 300 T CA 1.032 62.925 62.100 -0.345 0.000 1.074 300 T CB 0.271 68.914 68.868 -0.375 0.000 0.944 300 T HN 1.893 nan 8.240 nan 0.000 0.516 301 S N 0.734 116.370 115.700 -0.107 0.000 3.672 301 S HA -0.135 4.335 4.470 -0.000 0.000 0.294 301 S C 0.211 174.848 174.600 0.061 0.000 1.200 301 S CA 0.591 58.761 58.200 -0.050 0.000 0.837 301 S CB -2.184 60.998 63.200 -0.029 0.000 0.972 301 S HN 1.259 nan 8.310 nan 0.000 0.583 302 T N -1.222 113.387 114.554 0.092 0.000 2.895 302 T HA 0.704 5.054 4.350 -0.000 0.000 0.283 302 T C -1.448 173.319 174.700 0.113 0.000 1.014 302 T CA -1.557 60.632 62.100 0.148 0.000 1.037 302 T CB 1.662 70.666 68.868 0.226 0.000 1.006 302 T HN -0.055 nan 8.240 nan 0.000 0.468 303 P HA -0.134 nan 4.420 nan 0.000 0.214 303 P C 1.685 179.041 177.300 0.094 0.000 1.169 303 P CA 0.732 63.887 63.100 0.092 0.000 0.908 303 P CB -0.048 31.703 31.700 0.086 0.000 0.791 304 V N -0.533 119.440 119.914 0.099 0.000 2.323 304 V HA -0.102 4.018 4.120 -0.000 0.000 0.244 304 V C 2.562 178.724 176.094 0.112 0.000 1.041 304 V CA 2.414 64.769 62.300 0.093 0.000 1.025 304 V CB -1.866 30.004 31.823 0.078 0.000 0.656 304 V HN 0.187 nan 8.190 nan 0.000 0.451 305 G N -0.041 108.845 108.800 0.143 0.000 2.459 305 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 305 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 305 G C 1.196 176.206 174.900 0.182 0.000 1.183 305 G CA 1.203 46.410 45.100 0.179 0.000 0.776 305 G HN 0.496 nan 8.290 nan 0.000 0.552 306 D N 0.013 120.503 120.400 0.150 0.000 2.133 306 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 306 D C 2.687 179.140 176.300 0.255 0.000 0.997 306 D CA 0.811 54.920 54.000 0.181 0.000 0.840 306 D CB -0.437 40.425 40.800 0.103 0.000 0.947 306 D HN 0.226 nan 8.370 nan 0.000 0.452 307 V N 1.014 121.035 119.914 0.178 0.000 2.323 307 V HA -0.178 3.942 4.120 -0.000 0.000 0.244 307 V C 2.310 178.469 176.094 0.110 0.000 1.041 307 V CA 1.336 63.718 62.300 0.136 0.000 1.025 307 V CB -0.251 31.631 31.823 0.098 0.000 0.656 307 V HN 0.187 nan 8.190 nan 0.000 0.451 308 K N 0.086 120.545 120.400 0.099 0.000 2.063 308 K HA -0.263 4.057 4.320 -0.000 0.000 0.208 308 K C 2.112 178.755 176.600 0.072 0.000 1.048 308 K CA 1.847 58.171 56.287 0.062 0.000 0.928 308 K CB -0.256 32.268 32.500 0.040 0.000 0.713 308 K HN 0.607 nan 8.250 nan 0.000 0.442 309 E N 1.283 121.571 120.200 0.146 0.000 2.106 309 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 309 E C 2.146 178.853 176.600 0.178 0.000 0.984 309 E CA 0.541 57.066 56.400 0.210 0.000 0.806 309 E CB 0.027 29.947 29.700 0.367 0.000 0.750 309 E HN 0.200 nan 8.360 nan 0.000 0.458 310 L N 0.395 121.714 121.223 0.159 0.000 2.083 310 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 310 L C 2.659 179.568 176.870 0.065 0.000 1.083 310 L CA 1.003 55.895 54.840 0.087 0.000 0.752 310 L CB -0.436 41.647 42.059 0.041 0.000 0.899 310 L HN 0.239 nan 8.230 nan 0.000 0.433 311 A N -0.023 122.833 122.820 0.060 0.000 1.902 311 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 311 A C 2.517 180.123 177.584 0.036 0.000 1.181 311 A CA 1.658 53.718 52.037 0.038 0.000 0.623 311 A CB -0.638 18.378 19.000 0.027 0.000 0.818 311 A HN 0.400 nan 8.150 nan 0.000 0.443 312 A N -0.140 122.703 122.820 0.038 0.000 1.933 312 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 312 A C 2.102 179.727 177.584 0.069 0.000 1.175 312 A CA 1.462 53.513 52.037 0.023 0.000 0.628 312 A CB -0.583 18.413 19.000 -0.008 0.000 0.814 312 A HN 0.496 nan 8.150 nan 0.000 0.444 313 I N -0.871 119.780 120.570 0.136 0.000 2.226 313 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 313 I C 2.781 179.042 176.117 0.240 0.000 1.100 313 I CA 1.305 62.754 61.300 0.248 0.000 1.374 313 I CB -0.309 37.818 38.000 0.212 0.000 1.057 313 I HN 0.297 nan 8.210 nan 0.000 0.413 314 R N 0.309 120.885 120.500 0.126 0.000 2.081 314 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 314 R C 2.256 178.593 176.300 0.061 0.000 1.131 314 R CA 1.122 57.278 56.100 0.093 0.000 0.960 314 R CB -0.305 30.024 30.300 0.048 0.000 0.856 314 R HN 0.343 nan 8.270 nan 0.000 0.436 315 E N 0.390 120.606 120.200 0.026 0.000 2.085 315 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 315 E C 2.099 178.661 176.600 -0.063 0.000 0.994 315 E CA 1.331 57.721 56.400 -0.015 0.000 0.801 315 E CB -0.013 29.671 29.700 -0.027 0.000 0.743 315 E HN 0.136 nan 8.360 nan 0.000 0.453 316 V N -0.162 119.681 119.914 -0.118 0.000 2.346 316 V HA -0.169 3.951 4.120 -0.000 0.000 0.244 316 V C 1.937 177.759 176.094 -0.453 0.000 1.037 316 V CA 1.525 63.617 62.300 -0.345 0.000 1.029 316 V CB -0.441 31.040 31.823 -0.570 0.000 0.663 316 V HN 0.137 nan 8.190 nan 0.000 0.454 317 F N -0.269 119.682 119.950 0.000 0.000 2.656 317 F HA 0.472 4.999 4.527 -0.000 0.000 0.291 317 F C 1.961 177.758 175.800 -0.005 0.000 1.122 317 F CA 0.717 58.715 58.000 -0.003 0.000 1.427 317 F CB -0.333 38.663 39.000 -0.006 0.000 1.125 317 F HN 0.265 nan 8.300 nan 0.000 0.583 318 G N 1.050 109.934 108.800 0.139 0.000 2.677 318 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.321 318 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.321 318 G C 0.871 175.822 174.900 0.085 0.000 1.181 318 G CA 0.897 46.046 45.100 0.081 0.000 0.965 318 G HN 0.280 nan 8.290 nan 0.000 0.548 319 D N 0.945 121.387 120.400 0.070 0.000 2.367 319 D HA 0.072 4.712 4.640 -0.000 0.000 0.207 319 D C 1.546 177.879 176.300 0.054 0.000 1.034 319 D CA 0.378 54.408 54.000 0.050 0.000 0.861 319 D CB 0.198 41.017 40.800 0.032 0.000 0.943 319 D HN 0.356 nan 8.370 nan 0.000 0.515 320 K N 2.161 122.617 120.400 0.094 0.000 3.192 320 K HA 0.039 4.359 4.320 -0.000 0.000 0.269 320 K C -0.113 176.510 176.600 0.039 0.000 1.270 320 K CA -0.067 56.269 56.287 0.082 0.000 1.249 320 K CB -0.272 32.312 32.500 0.140 0.000 1.528 320 K HN -0.167 nan 8.250 nan 0.000 0.360 321 S N 2.787 118.482 115.700 -0.008 0.000 2.525 321 S HA 0.166 4.636 4.470 -0.000 0.000 0.285 321 S C -1.966 172.495 174.600 -0.232 0.000 1.283 321 S CA -1.039 57.084 58.200 -0.128 0.000 1.072 321 S CB 0.464 63.619 63.200 -0.076 0.000 0.867 321 S HN 0.366 nan 8.310 nan 0.000 0.492 322 P HA 0.328 nan 4.420 nan 0.000 0.279 322 P C -0.786 176.395 177.300 -0.199 0.000 1.276 322 P CA -0.667 62.238 63.100 -0.326 0.000 0.801 322 P CB 0.453 31.856 31.700 -0.496 0.000 1.127 323 A N 0.753 123.524 122.820 -0.082 0.000 2.462 323 A HA 0.416 4.736 4.320 -0.000 0.000 0.243 323 A C 0.264 177.845 177.584 -0.004 0.000 1.076 323 A CA 0.052 52.096 52.037 0.011 0.000 0.773 323 A CB -0.791 18.278 19.000 0.115 0.000 1.010 323 A HN 0.440 nan 8.150 nan 0.000 0.493 324 I N 1.523 122.095 120.570 0.004 0.000 2.582 324 I HA 0.533 4.703 4.170 -0.000 0.000 0.292 324 I C -0.032 176.152 176.117 0.112 0.000 1.066 324 I CA -0.242 61.037 61.300 -0.035 0.000 1.053 324 I CB 2.529 40.467 38.000 -0.103 0.000 1.241 324 I HN 0.764 nan 8.210 nan 0.000 0.421 325 S N 3.807 119.610 115.700 0.172 0.000 2.533 325 S HA 0.832 5.302 4.470 -0.000 0.000 0.271 325 S C -1.081 173.631 174.600 0.186 0.000 1.143 325 S CA -0.788 57.550 58.200 0.230 0.000 0.891 325 S CB 1.964 65.315 63.200 0.251 0.000 1.105 325 S HN 0.800 nan 8.310 nan 0.000 0.468 326 A N 2.241 125.154 122.820 0.154 0.000 2.273 326 A HA 0.604 4.924 4.320 -0.000 0.000 0.320 326 A C 1.162 178.747 177.584 0.002 0.000 1.358 326 A CA -0.216 51.840 52.037 0.032 0.000 0.910 326 A CB -0.043 18.887 19.000 -0.117 0.000 1.159 326 A HN 1.373 nan 8.150 nan 0.000 0.526 327 T N 0.029 114.595 114.554 0.019 0.000 3.072 327 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 327 T C 1.319 175.992 174.700 -0.045 0.000 1.127 327 T CA 1.124 63.212 62.100 -0.019 0.000 1.107 327 T CB -0.265 68.591 68.868 -0.019 0.000 0.910 327 T HN 0.629 nan 8.240 nan 0.000 0.513 328 K N 1.083 121.446 120.400 -0.062 0.000 2.360 328 K HA 0.155 4.475 4.320 -0.000 0.000 0.201 328 K C 2.555 179.117 176.600 -0.063 0.000 1.046 328 K CA 0.860 57.101 56.287 -0.077 0.000 0.945 328 K CB -0.316 32.081 32.500 -0.172 0.000 0.750 328 K HN 0.497 nan 8.250 nan 0.000 0.464 329 A N 0.803 123.578 122.820 -0.075 0.000 2.015 329 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 329 A C 1.974 179.532 177.584 -0.042 0.000 1.163 329 A CA 1.260 53.260 52.037 -0.063 0.000 0.646 329 A CB -0.213 18.748 19.000 -0.065 0.000 0.806 329 A HN 0.190 nan 8.150 nan 0.000 0.448 330 M N -1.271 118.300 119.600 -0.048 0.000 2.429 330 M HA -0.036 4.444 4.480 -0.000 0.000 0.265 330 M C 2.296 178.574 176.300 -0.037 0.000 1.120 330 M CA 1.663 56.933 55.300 -0.050 0.000 1.173 330 M CB -0.001 32.546 32.600 -0.089 0.000 1.343 330 M HN 0.593 nan 8.290 nan 0.000 0.464 331 T N -2.442 112.091 114.554 -0.035 0.000 3.037 331 T HA 0.437 4.787 4.350 -0.000 0.000 0.252 331 T C 1.032 175.753 174.700 0.034 0.000 1.073 331 T CA 0.470 62.570 62.100 -0.001 0.000 1.091 331 T CB 0.079 68.968 68.868 0.035 0.000 0.935 331 T HN 0.535 nan 8.240 nan 0.000 0.488 332 G N 1.067 109.892 108.800 0.041 0.000 2.710 332 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.668 332 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.668 332 G C -0.964 173.998 174.900 0.103 0.000 1.320 332 G CA -0.376 44.779 45.100 0.091 0.000 0.860 332 G HN 0.823 nan 8.290 nan 0.000 0.538 333 H N 0.661 119.732 119.070 0.002 0.000 2.641 333 H HA 0.611 5.167 4.556 -0.000 0.000 0.295 333 H C 1.583 176.836 175.328 -0.126 0.000 1.070 333 H CA -0.075 55.887 56.048 -0.143 0.000 1.257 333 H CB 0.719 30.252 29.762 -0.382 0.000 1.393 333 H HN 0.852 nan 8.280 nan 0.000 0.464 334 S N 4.769 120.549 115.700 0.134 0.000 2.671 334 S HA 0.118 4.588 4.470 -0.000 0.000 0.220 334 S C 1.330 175.879 174.600 -0.084 0.000 0.951 334 S CA 0.063 58.257 58.200 -0.010 0.000 0.932 334 S CB -0.573 62.621 63.200 -0.010 0.000 0.777 334 S HN 0.729 nan 8.310 nan 0.000 0.508 335 L N -0.016 121.070 121.223 -0.228 0.000 4.782 335 L HA -0.353 3.987 4.340 -0.000 0.000 0.053 335 L C 2.265 179.105 176.870 -0.052 0.000 3.426 335 L CA 1.499 56.160 54.840 -0.299 0.000 1.357 335 L CB -2.044 39.796 42.059 -0.365 0.000 3.081 335 L HN 0.428 nan 8.230 nan 0.000 0.912 336 G N -1.147 107.628 108.800 -0.041 0.000 2.470 336 G HA2 0.051 4.011 3.960 -0.000 0.000 0.220 336 G HA3 0.051 4.011 3.960 -0.000 0.000 0.220 336 G C 1.233 176.135 174.900 0.004 0.000 1.121 336 G CA 1.233 46.336 45.100 0.005 0.000 0.766 336 G HN 0.851 nan 8.290 nan 0.000 0.553 337 A N 0.235 123.051 122.820 -0.007 0.000 2.238 337 A HA 0.667 4.987 4.320 -0.000 0.000 0.210 337 A C 2.517 180.070 177.584 -0.051 0.000 1.179 337 A CA 1.238 53.261 52.037 -0.023 0.000 0.827 337 A CB -0.173 18.816 19.000 -0.018 0.000 0.856 337 A HN 0.501 nan 8.150 nan 0.000 0.488 338 A N 0.204 123.010 122.820 -0.023 0.000 1.883 338 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 338 A C 2.353 179.880 177.584 -0.095 0.000 1.186 338 A CA 1.939 53.953 52.037 -0.037 0.000 0.624 338 A CB -1.347 17.670 19.000 0.028 0.000 0.822 338 A HN 0.688 nan 8.150 nan 0.000 0.444 339 G N -0.818 107.933 108.800 -0.080 0.000 2.491 339 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 339 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 339 G C 1.665 176.479 174.900 -0.144 0.000 1.180 339 G CA 1.438 46.471 45.100 -0.111 0.000 0.774 339 G HN 0.644 nan 8.290 nan 0.000 0.562 340 V N 0.104 119.935 119.914 -0.139 0.000 2.548 340 V HA -0.101 4.019 4.120 -0.000 0.000 0.249 340 V C 2.727 178.671 176.094 -0.250 0.000 1.055 340 V CA 2.458 64.659 62.300 -0.164 0.000 1.065 340 V CB -0.217 31.532 31.823 -0.125 0.000 0.681 340 V HN 0.521 nan 8.190 nan 0.000 0.462 341 Q N -0.422 119.197 119.800 -0.301 0.000 2.079 341 Q HA -0.227 4.113 4.340 -0.000 0.000 0.200 341 Q C 2.161 177.601 176.000 -0.934 0.000 0.974 341 Q CA 2.066 57.539 55.803 -0.551 0.000 0.840 341 Q CB -0.122 28.354 28.738 -0.437 0.000 0.898 341 Q HN 0.710 nan 8.270 nan 0.000 0.430 342 E N 0.317 120.185 120.200 -0.554 0.000 2.208 342 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 342 E C 1.803 178.275 176.600 -0.214 0.000 0.988 342 E CA 0.699 56.890 56.400 -0.348 0.000 0.828 342 E CB 0.011 29.644 29.700 -0.112 0.000 0.763 342 E HN 0.321 nan 8.360 nan 0.000 0.478 343 A N 0.840 123.528 122.820 -0.220 0.000 1.968 343 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 343 A C 2.087 179.577 177.584 -0.157 0.000 1.169 343 A CA 0.741 52.690 52.037 -0.147 0.000 0.638 343 A CB -0.318 18.595 19.000 -0.145 0.000 0.812 343 A HN 0.130 nan 8.150 nan 0.000 0.446 344 I N -1.450 118.970 120.570 -0.248 0.000 2.286 344 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 344 I C 2.203 178.280 176.117 -0.066 0.000 1.104 344 I CA 1.062 62.236 61.300 -0.211 0.000 1.397 344 I CB -0.383 37.464 38.000 -0.254 0.000 1.072 344 I HN 0.350 nan 8.210 nan 0.000 0.417 345 Y N 0.848 121.126 120.300 -0.037 0.000 2.224 345 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 345 Y C 2.936 178.814 175.900 -0.037 0.000 1.146 345 Y CA 0.772 58.860 58.100 -0.020 0.000 1.182 345 Y CB -1.323 37.132 38.460 -0.008 0.000 0.983 345 Y HN 0.110 nan 8.280 nan 0.000 0.524 346 S N -0.021 115.756 115.700 0.128 0.000 2.383 346 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 346 S C 2.157 176.775 174.600 0.029 0.000 1.026 346 S CA 0.922 59.179 58.200 0.096 0.000 0.981 346 S CB -0.565 62.704 63.200 0.114 0.000 0.818 346 S HN 0.347 nan 8.310 nan 0.000 0.472 347 L N 1.011 122.236 121.223 0.004 0.000 2.141 347 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 347 L C 2.117 179.028 176.870 0.068 0.000 1.094 347 L CA 0.919 55.759 54.840 0.000 0.000 0.763 347 L CB -0.519 41.471 42.059 -0.114 0.000 0.908 347 L HN 0.291 nan 8.230 nan 0.000 0.437 348 L N -1.222 120.061 121.223 0.099 0.000 2.156 348 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 348 L C 2.580 179.580 176.870 0.217 0.000 1.095 348 L CA 1.066 56.066 54.840 0.266 0.000 0.770 348 L CB -0.284 41.948 42.059 0.289 0.000 0.914 348 L HN 0.300 nan 8.230 nan 0.000 0.439 349 M N -0.881 118.659 119.600 -0.099 0.000 2.132 349 M HA -0.197 4.283 4.480 -0.000 0.000 0.263 349 M C 2.267 178.451 176.300 -0.193 0.000 1.065 349 M CA 1.482 56.498 55.300 -0.473 0.000 1.122 349 M CB -0.218 31.956 32.600 -0.710 0.000 1.365 349 M HN 0.203 nan 8.290 nan 0.000 0.411 350 L N 0.596 121.775 121.223 -0.074 0.000 2.056 350 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 350 L C 2.233 179.106 176.870 0.005 0.000 1.078 350 L CA 1.984 56.812 54.840 -0.020 0.000 0.749 350 L CB -0.539 41.530 42.059 0.017 0.000 0.901 350 L HN 0.210 nan 8.230 nan 0.000 0.433 351 E N -1.330 118.886 120.200 0.027 0.000 2.072 351 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 351 E C 1.879 178.343 176.600 -0.227 0.000 0.985 351 E CA 1.517 57.874 56.400 -0.072 0.000 0.801 351 E CB -0.101 29.586 29.700 -0.021 0.000 0.750 351 E HN 0.625 nan 8.360 nan 0.000 0.452 352 H N -1.421 117.752 119.070 0.171 0.000 2.551 352 H HA 0.273 4.829 4.556 -0.000 0.000 0.271 352 H C 0.673 176.138 175.328 0.228 0.000 0.984 352 H CA 0.628 56.805 56.048 0.214 0.000 1.164 352 H CB 0.763 30.709 29.762 0.307 0.000 1.437 352 H HN 0.291 nan 8.280 nan 0.000 0.550 353 G N 1.810 110.736 108.800 0.210 0.000 2.324 353 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.292 353 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.292 353 G C -0.202 174.830 174.900 0.218 0.000 1.079 353 G CA 0.583 45.770 45.100 0.143 0.000 1.026 353 G HN 0.513 nan 8.290 nan 0.000 0.506 354 F N -1.927 118.004 119.950 -0.030 0.000 2.686 354 F HA 0.834 5.361 4.527 -0.000 0.000 0.311 354 F C -0.788 174.914 175.800 -0.164 0.000 1.128 354 F CA -2.236 55.722 58.000 -0.069 0.000 0.946 354 F CB 1.233 40.206 39.000 -0.045 0.000 1.336 354 F HN 0.042 nan 8.300 nan 0.000 0.457 355 I N 2.662 123.095 120.570 -0.229 0.000 2.389 355 I HA 0.606 4.776 4.170 -0.000 0.000 0.288 355 I C 0.035 176.054 176.117 -0.165 0.000 0.999 355 I CA -1.074 59.947 61.300 -0.464 0.000 1.129 355 I CB 1.712 39.534 38.000 -0.297 0.000 1.288 355 I HN 0.956 nan 8.210 nan 0.000 0.444 356 A N 9.205 131.866 122.820 -0.266 0.000 2.425 356 A HA 0.505 4.825 4.320 -0.000 0.000 0.249 356 A C -2.317 175.282 177.584 0.025 0.000 1.084 356 A CA -1.094 50.962 52.037 0.031 0.000 0.781 356 A CB -0.301 18.696 19.000 -0.004 0.000 1.019 356 A HN 0.430 nan 8.150 nan 0.000 0.490 357 P HA 0.102 nan 4.420 nan 0.000 0.274 357 P C -0.311 177.020 177.300 0.052 0.000 1.231 357 P CA -0.157 62.973 63.100 0.050 0.000 0.790 357 P CB 1.091 32.814 31.700 0.037 0.000 0.951 358 S N 2.278 118.021 115.700 0.071 0.000 2.415 358 S HA 0.393 4.863 4.470 -0.000 0.000 0.313 358 S C 0.547 175.180 174.600 0.054 0.000 1.067 358 S CA -0.844 57.405 58.200 0.082 0.000 1.099 358 S CB -1.325 61.969 63.200 0.156 0.000 0.991 358 S HN 0.346 nan 8.310 nan 0.000 0.491 359 I N 2.074 122.657 120.570 0.021 0.000 3.110 359 I HA 0.521 4.691 4.170 -0.000 0.000 0.314 359 I C 0.430 176.546 176.117 -0.003 0.000 1.020 359 I CA -0.556 60.748 61.300 0.008 0.000 1.169 359 I CB 0.360 38.356 38.000 -0.006 0.000 1.437 359 I HN 0.531 nan 8.210 nan 0.000 0.595 360 N N 0.839 119.534 118.700 -0.008 0.000 2.800 360 N HA -0.173 4.567 4.740 -0.000 0.000 0.250 360 N C -0.555 174.950 175.510 -0.008 0.000 1.078 360 N CA 1.000 54.036 53.050 -0.024 0.000 0.804 360 N CB -1.575 36.873 38.487 -0.065 0.000 1.135 360 N HN 0.621 nan 8.380 nan 0.000 0.565 361 I N 1.275 121.858 120.570 0.021 0.000 2.294 361 I HA 0.045 4.215 4.170 -0.000 0.000 0.295 361 I C 1.436 177.579 176.117 0.042 0.000 1.098 361 I CA 0.036 61.361 61.300 0.043 0.000 1.277 361 I CB 0.598 38.641 38.000 0.073 0.000 1.434 361 I HN 0.032 nan 8.210 nan 0.000 0.498 362 E N 3.888 124.119 120.200 0.051 0.000 2.140 362 E HA 0.008 4.358 4.350 -0.000 0.000 0.191 362 E C 0.447 177.089 176.600 0.070 0.000 0.973 362 E CA 0.533 56.972 56.400 0.065 0.000 0.829 362 E CB 0.503 30.256 29.700 0.088 0.000 0.781 362 E HN 0.539 nan 8.360 nan 0.000 0.466 363 E N 1.030 121.271 120.200 0.068 0.000 2.343 363 E HA 0.151 4.501 4.350 -0.000 0.000 0.260 363 E C -1.414 175.196 176.600 0.017 0.000 0.908 363 E CA -0.596 55.832 56.400 0.047 0.000 0.814 363 E CB 0.985 30.723 29.700 0.063 0.000 1.302 363 E HN -0.061 nan 8.360 nan 0.000 0.408 364 L N 4.103 125.341 121.223 0.025 0.000 2.490 364 L HA 0.093 4.433 4.340 -0.000 0.000 0.274 364 L C 0.311 177.188 176.870 0.012 0.000 1.201 364 L CA 0.626 55.483 54.840 0.028 0.000 0.869 364 L CB 0.628 42.698 42.059 0.019 0.000 1.123 364 L HN 0.599 nan 8.230 nan 0.000 0.484 365 D N 3.222 123.639 120.400 0.028 0.000 2.423 365 D HA -0.061 4.579 4.640 -0.000 0.000 0.238 365 D C 0.740 177.045 176.300 0.008 0.000 1.142 365 D CA 0.177 54.187 54.000 0.018 0.000 0.884 365 D CB 0.900 41.737 40.800 0.061 0.000 1.199 365 D HN 0.703 nan 8.370 nan 0.000 0.438 366 E N 1.476 121.679 120.200 0.004 0.000 2.077 366 E HA -0.211 4.138 4.350 -0.000 0.000 0.193 366 E C 1.719 178.320 176.600 0.001 0.000 0.989 366 E CA 0.894 57.296 56.400 0.003 0.000 0.800 366 E CB 0.057 29.761 29.700 0.006 0.000 0.746 366 E HN 0.544 nan 8.360 nan 0.000 0.452 367 Q N -0.188 119.617 119.800 0.009 0.000 2.500 367 Q HA -0.020 4.320 4.340 -0.000 0.000 0.213 367 Q C 1.656 177.647 176.000 -0.015 0.000 0.974 367 Q CA 0.672 56.478 55.803 0.007 0.000 0.918 367 Q CB 0.143 28.896 28.738 0.024 0.000 0.980 367 Q HN 0.201 nan 8.270 nan 0.000 0.505 368 A N 0.660 123.460 122.820 -0.034 0.000 2.195 368 A HA 0.351 4.671 4.320 -0.000 0.000 0.210 368 A C 1.028 178.565 177.584 -0.080 0.000 1.165 368 A CA 0.142 52.120 52.037 -0.099 0.000 0.806 368 A CB 0.092 19.006 19.000 -0.144 0.000 0.847 368 A HN 0.284 nan 8.150 nan 0.000 0.482 369 A N -0.616 122.179 122.820 -0.042 0.000 2.567 369 A HA 0.412 4.732 4.320 -0.000 0.000 0.240 369 A C 1.644 179.210 177.584 -0.031 0.000 1.053 369 A CA 0.800 52.819 52.037 -0.030 0.000 0.755 369 A CB -0.679 18.312 19.000 -0.014 0.000 0.978 369 A HN 1.977 nan 8.150 nan 0.000 0.507 370 G N 0.987 109.769 108.800 -0.029 0.000 2.175 370 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 370 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 370 G C 0.057 174.937 174.900 -0.035 0.000 0.982 370 G CA 0.371 45.456 45.100 -0.024 0.000 0.641 370 G HN 0.825 nan 8.290 nan 0.000 0.527 371 L N 0.269 121.457 121.223 -0.058 0.000 2.344 371 L HA 0.500 4.840 4.340 -0.000 0.000 0.272 371 L C 0.415 177.238 176.870 -0.079 0.000 1.035 371 L CA -1.112 53.681 54.840 -0.077 0.000 0.807 371 L CB 1.355 43.343 42.059 -0.118 0.000 1.237 371 L HN 0.066 nan 8.230 nan 0.000 0.442 372 N N 2.863 121.517 118.700 -0.076 0.000 2.968 372 N HA 0.230 4.970 4.740 -0.000 0.000 0.271 372 N C -0.706 174.771 175.510 -0.055 0.000 1.174 372 N CA -0.012 53.005 53.050 -0.056 0.000 1.096 372 N CB -0.262 38.198 38.487 -0.045 0.000 1.403 372 N HN 0.405 nan 8.380 nan 0.000 0.522 373 I N 2.417 122.948 120.570 -0.065 0.000 2.322 373 I HA 0.105 4.275 4.170 -0.000 0.000 0.292 373 I C 0.045 176.168 176.117 0.009 0.000 1.060 373 I CA -0.773 60.498 61.300 -0.048 0.000 1.309 373 I CB 0.998 38.928 38.000 -0.116 0.000 1.415 373 I HN -0.036 nan 8.210 nan 0.000 0.492 374 V N 5.999 125.940 119.914 0.045 0.000 2.470 374 V HA 0.028 4.148 4.120 -0.000 0.000 0.276 374 V C 1.286 177.414 176.094 0.058 0.000 1.040 374 V CA 0.170 62.501 62.300 0.051 0.000 1.008 374 V CB 0.868 32.729 31.823 0.063 0.000 0.990 374 V HN 0.901 nan 8.190 nan 0.000 0.477 375 T N 0.641 115.221 114.554 0.043 0.000 3.085 375 T HA 0.297 4.647 4.350 -0.000 0.000 0.264 375 T C 0.166 174.886 174.700 0.033 0.000 1.019 375 T CA -0.207 61.919 62.100 0.043 0.000 0.910 375 T CB -0.174 68.717 68.868 0.038 0.000 1.059 375 T HN 0.826 nan 8.240 nan 0.000 0.542 376 E N 0.159 120.378 120.200 0.032 0.000 2.372 376 E HA 0.395 4.745 4.350 -0.000 0.000 0.279 376 E C -1.467 175.154 176.600 0.036 0.000 0.946 376 E CA -1.118 55.298 56.400 0.027 0.000 0.769 376 E CB 0.800 30.511 29.700 0.018 0.000 1.230 376 E HN -0.081 nan 8.360 nan 0.000 0.442 377 T N 2.284 116.862 114.554 0.039 0.000 2.866 377 T HA 0.155 4.505 4.350 -0.000 0.000 0.293 377 T C 0.031 174.768 174.700 0.060 0.000 1.005 377 T CA 0.710 62.852 62.100 0.070 0.000 1.162 377 T CB 0.157 69.047 68.868 0.036 0.000 0.968 377 T HN 0.567 nan 8.240 nan 0.000 0.530 378 T N 1.467 116.072 114.554 0.085 0.000 2.928 378 T HA 0.317 4.667 4.350 -0.000 0.000 0.296 378 T C -0.968 173.785 174.700 0.087 0.000 1.000 378 T CA -1.149 60.987 62.100 0.060 0.000 0.989 378 T CB 1.179 70.067 68.868 0.033 0.000 1.005 378 T HN 0.372 nan 8.240 nan 0.000 0.442 379 D N 2.830 123.275 120.400 0.076 0.000 2.350 379 D HA 0.492 5.132 4.640 -0.000 0.000 0.249 379 D C 0.252 176.586 176.300 0.057 0.000 1.119 379 D CA 0.072 54.127 54.000 0.092 0.000 0.886 379 D CB 1.274 42.111 40.800 0.062 0.000 1.195 379 D HN 0.653 nan 8.370 nan 0.000 0.437 380 R N 0.926 121.459 120.500 0.054 0.000 2.633 380 R HA 0.085 4.425 4.340 -0.000 0.000 0.255 380 R C -1.415 174.896 176.300 0.019 0.000 1.106 380 R CA -0.484 55.630 56.100 0.024 0.000 0.959 380 R CB 1.086 31.389 30.300 0.004 0.000 1.259 380 R HN 0.233 nan 8.270 nan 0.000 0.453 381 E N 4.195 124.405 120.200 0.016 0.000 2.257 381 E HA 0.199 4.549 4.350 -0.000 0.000 0.278 381 E C -0.441 176.162 176.600 0.004 0.000 1.049 381 E CA -0.023 56.385 56.400 0.013 0.000 0.876 381 E CB 0.751 30.459 29.700 0.012 0.000 1.035 381 E HN 0.327 nan 8.360 nan 0.000 0.419 382 L N 2.290 123.511 121.223 -0.003 0.000 2.331 382 L HA 0.344 4.684 4.340 -0.000 0.000 0.275 382 L C 0.910 177.784 176.870 0.007 0.000 1.022 382 L CA -0.318 54.521 54.840 -0.002 0.000 0.812 382 L CB 1.784 43.829 42.059 -0.023 0.000 1.257 382 L HN 0.564 nan 8.230 nan 0.000 0.435 383 T N -1.496 113.067 114.554 0.015 0.000 3.115 383 T HA 0.092 4.442 4.350 -0.000 0.000 0.256 383 T C 0.224 174.937 174.700 0.021 0.000 0.970 383 T CA 0.273 62.381 62.100 0.014 0.000 1.010 383 T CB 0.717 69.593 68.868 0.012 0.000 1.151 383 T HN 0.569 nan 8.240 nan 0.000 0.479 384 T N 3.153 117.725 114.554 0.030 0.000 2.840 384 T HA 0.679 5.029 4.350 -0.000 0.000 0.287 384 T C -0.658 174.071 174.700 0.048 0.000 0.991 384 T CA -0.681 61.441 62.100 0.036 0.000 0.964 384 T CB 1.901 70.791 68.868 0.036 0.000 0.954 384 T HN 0.239 nan 8.240 nan 0.000 0.438 385 V N 1.316 121.262 119.914 0.054 0.000 2.864 385 V HA 0.855 4.975 4.120 -0.000 0.000 0.314 385 V C -0.577 175.531 176.094 0.024 0.000 1.073 385 V CA -1.202 61.139 62.300 0.067 0.000 0.956 385 V CB 2.109 34.016 31.823 0.141 0.000 1.023 385 V HN 0.963 nan 8.190 nan 0.000 0.435 386 M N 2.975 122.555 119.600 -0.034 0.000 2.530 386 M HA 0.748 5.228 4.480 -0.000 0.000 0.307 386 M C -0.965 175.278 176.300 -0.095 0.000 1.161 386 M CA -0.298 54.981 55.300 -0.034 0.000 0.903 386 M CB 2.243 34.849 32.600 0.010 0.000 1.711 386 M HN 0.980 nan 8.290 nan 0.000 0.451 387 S N 3.110 118.767 115.700 -0.070 0.000 2.672 387 S HA 0.571 5.041 4.470 -0.000 0.000 0.291 387 S C -1.491 173.024 174.600 -0.141 0.000 1.145 387 S CA -0.788 57.349 58.200 -0.106 0.000 1.013 387 S CB 0.998 64.149 63.200 -0.081 0.000 1.017 387 S HN 0.841 nan 8.310 nan 0.000 0.487 388 N N 2.060 120.627 118.700 -0.221 0.000 2.456 388 N HA 0.567 5.307 4.740 -0.000 0.000 0.296 388 N C -1.289 173.876 175.510 -0.574 0.000 1.102 388 N CA -0.399 52.373 53.050 -0.463 0.000 0.924 388 N CB 1.837 39.954 38.487 -0.616 0.000 1.186 388 N HN 0.486 nan 8.380 nan 0.000 0.492 389 S N 1.518 116.749 115.700 -0.781 0.000 2.775 389 S HA 0.469 4.939 4.470 -0.000 0.000 0.277 389 S C -1.384 172.821 174.600 -0.658 0.000 1.156 389 S CA -0.589 57.257 58.200 -0.590 0.000 1.081 389 S CB 0.180 63.207 63.200 -0.288 0.000 1.054 389 S HN 0.270 nan 8.310 nan 0.000 0.482 390 F N 1.771 121.283 119.950 -0.731 0.000 2.427 390 F HA 0.721 5.248 4.527 -0.000 0.000 0.348 390 F C 0.827 176.421 175.800 -0.342 0.000 1.125 390 F CA -1.031 56.684 58.000 -0.475 0.000 0.989 390 F CB 1.412 40.159 39.000 -0.421 0.000 1.165 390 F HN 0.599 nan 8.300 nan 0.000 0.442 391 G N 2.013 110.892 108.800 0.132 0.000 2.597 391 G HA2 0.544 4.504 3.960 -0.000 0.000 0.317 391 G HA3 0.544 4.504 3.960 -0.000 0.000 0.317 391 G C -0.770 174.365 174.900 0.391 0.000 1.230 391 G CA -0.824 44.410 45.100 0.224 0.000 0.996 391 G HN 0.434 nan 8.290 nan 0.000 0.490 392 F N -0.133 119.915 119.950 0.163 0.000 2.595 392 F HA 0.281 4.808 4.527 -0.000 0.000 0.359 392 F C 1.690 177.558 175.800 0.112 0.000 1.147 392 F CA 1.226 59.316 58.000 0.150 0.000 1.341 392 F CB 0.899 40.006 39.000 0.178 0.000 1.104 392 F HN 0.813 nan 8.300 nan 0.000 0.603 393 G N 1.213 110.156 108.800 0.238 0.000 2.157 393 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.248 393 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.248 393 G C 0.665 175.630 174.900 0.108 0.000 0.979 393 G CA 0.083 45.269 45.100 0.144 0.000 0.650 393 G HN 1.769 nan 8.290 nan 0.000 0.529 394 G N -1.058 107.812 108.800 0.115 0.000 2.295 394 G HA2 0.096 4.056 3.960 -0.000 0.000 0.287 394 G HA3 0.096 4.056 3.960 -0.000 0.000 0.287 394 G C 0.335 175.288 174.900 0.089 0.000 1.055 394 G CA 1.403 46.548 45.100 0.075 0.000 0.922 394 G HN 2.018 nan 8.290 nan 0.000 0.503 395 T N 0.303 114.945 114.554 0.147 0.000 2.758 395 T HA 0.578 4.928 4.350 -0.000 0.000 0.285 395 T C 0.053 174.894 174.700 0.236 0.000 0.981 395 T CA -0.655 61.556 62.100 0.184 0.000 0.965 395 T CB 0.373 69.368 68.868 0.212 0.000 0.927 395 T HN 0.325 nan 8.240 nan 0.000 0.448 396 N N 2.904 121.748 118.700 0.240 0.000 2.319 396 N HA 0.752 5.492 4.740 -0.000 0.000 0.305 396 N C -1.177 174.457 175.510 0.206 0.000 1.103 396 N CA -0.671 52.559 53.050 0.301 0.000 0.815 396 N CB 2.103 40.745 38.487 0.258 0.000 1.288 396 N HN 0.768 nan 8.380 nan 0.000 0.493 397 A N 0.527 123.392 122.820 0.076 0.000 2.488 397 A HA 0.720 5.040 4.320 -0.000 0.000 0.298 397 A C -0.981 176.581 177.584 -0.037 0.000 1.044 397 A CA -0.517 51.485 52.037 -0.058 0.000 0.693 397 A CB 1.391 20.142 19.000 -0.414 0.000 1.272 397 A HN 0.458 nan 8.150 nan 0.000 0.402 398 T N 2.290 116.871 114.554 0.046 0.000 2.921 398 T HA 0.597 4.947 4.350 -0.000 0.000 0.297 398 T C -0.897 173.867 174.700 0.107 0.000 1.013 398 T CA -0.242 61.880 62.100 0.037 0.000 0.990 398 T CB 0.899 69.812 68.868 0.075 0.000 1.023 398 T HN 0.510 nan 8.240 nan 0.000 0.447 399 L N 2.746 124.003 121.223 0.056 0.000 2.346 399 L HA 0.804 5.144 4.340 -0.000 0.000 0.276 399 L C -0.786 176.110 176.870 0.045 0.000 1.006 399 L CA -1.144 53.738 54.840 0.070 0.000 0.817 399 L CB 2.030 44.092 42.059 0.005 0.000 1.272 399 L HN 0.335 nan 8.230 nan 0.000 0.421 400 V N 3.761 123.711 119.914 0.059 0.000 2.487 400 V HA 0.525 4.645 4.120 -0.000 0.000 0.298 400 V C -0.200 175.915 176.094 0.035 0.000 1.028 400 V CA -0.364 61.965 62.300 0.048 0.000 0.860 400 V CB 1.817 33.678 31.823 0.064 0.000 0.991 400 V HN 0.714 nan 8.190 nan 0.000 0.427 401 M N 4.945 124.560 119.600 0.025 0.000 2.465 401 M HA 0.671 5.151 4.480 -0.000 0.000 0.316 401 M C -0.571 175.743 176.300 0.023 0.000 1.121 401 M CA -0.413 54.897 55.300 0.018 0.000 0.934 401 M CB 2.674 35.278 32.600 0.007 0.000 1.692 401 M HN 0.589 nan 8.290 nan 0.000 0.444 402 R N 1.390 121.900 120.500 0.017 0.000 2.673 402 R HA 0.466 4.806 4.340 -0.000 0.000 0.281 402 R C -1.144 175.159 176.300 0.006 0.000 0.991 402 R CA -0.812 55.297 56.100 0.015 0.000 0.896 402 R CB 1.953 32.262 30.300 0.015 0.000 1.201 402 R HN 0.635 nan 8.270 nan 0.000 0.457 403 K N 2.441 122.844 120.400 0.004 0.000 2.489 403 K HA 0.007 4.327 4.320 -0.000 0.000 0.278 403 K C -0.465 176.126 176.600 -0.016 0.000 1.000 403 K CA 0.001 56.283 56.287 -0.008 0.000 1.012 403 K CB 0.466 32.961 32.500 -0.009 0.000 0.903 403 K HN 0.293 nan 8.250 nan 0.000 0.485 404 L N 4.470 125.675 121.223 -0.030 0.000 2.265 404 L HA 0.108 4.448 4.340 -0.000 0.000 0.288 404 L C -0.649 176.202 176.870 -0.032 0.000 1.058 404 L CA -0.259 54.562 54.840 -0.031 0.000 0.809 404 L CB 0.589 42.621 42.059 -0.045 0.000 1.179 404 L HN 0.375 nan 8.230 nan 0.000 0.429 405 K N 5.281 125.668 120.400 -0.022 0.000 2.010 405 K HA -0.134 4.186 4.320 -0.000 0.000 0.237 405 K C 0.274 176.859 176.600 -0.024 0.000 1.338 405 K CA 1.112 57.388 56.287 -0.019 0.000 1.419 405 K CB -1.530 30.962 32.500 -0.014 0.000 0.779 405 K HN 0.835 nan 8.250 nan 0.000 0.455 406 D N 0.000 120.384 120.400 -0.027 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.983 54.000 -0.029 0.000 0.868 406 D CB 0.000 40.788 40.800 -0.019 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683