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 2byz_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG 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 PIDYLNSQGT 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 0.009 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 K N 1.981 122.385 120.400 0.007 0.000 2.524 2 K HA 0.241 4.561 4.320 -0.000 0.000 0.279 2 K C -0.553 176.047 176.600 0.000 0.000 0.993 2 K CA 0.418 56.706 56.287 0.002 0.000 1.030 2 K CB 0.216 32.715 32.500 -0.002 0.000 0.891 2 K HN 0.582 nan 8.250 nan 0.000 0.488 3 R N 0.536 121.034 120.500 -0.003 0.000 2.486 3 R HA 0.524 4.864 4.340 -0.000 0.000 0.286 3 R C -0.341 175.948 176.300 -0.018 0.000 0.999 3 R CA -0.621 55.475 56.100 -0.007 0.000 0.993 3 R CB 1.516 31.812 30.300 -0.006 0.000 1.084 3 R HN 0.652 nan 8.270 nan 0.000 0.487 4 A N 1.881 124.687 122.820 -0.023 0.000 2.342 4 A HA 0.663 4.983 4.320 -0.000 0.000 0.323 4 A C -0.596 176.963 177.584 -0.042 0.000 1.125 4 A CA -0.678 51.334 52.037 -0.041 0.000 0.785 4 A CB 1.265 20.233 19.000 -0.053 0.000 1.221 4 A HN 0.527 nan 8.150 nan 0.000 0.463 5 V N -0.245 119.639 119.914 -0.051 0.000 3.040 5 V HA 0.709 4.829 4.120 -0.000 0.000 0.312 5 V C -0.823 175.239 176.094 -0.053 0.000 1.115 5 V CA -1.046 61.226 62.300 -0.046 0.000 0.998 5 V CB 1.850 33.646 31.823 -0.043 0.000 1.042 5 V HN 0.627 nan 8.190 nan 0.000 0.433 6 I N 3.145 123.699 120.570 -0.027 0.000 2.304 6 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 6 I C 1.234 177.400 176.117 0.081 0.000 1.018 6 I CA 0.245 61.539 61.300 -0.009 0.000 1.260 6 I CB 1.035 39.022 38.000 -0.021 0.000 1.390 6 I HN 1.038 nan 8.210 nan 0.000 0.475 7 T N 1.369 115.949 114.554 0.044 0.000 3.092 7 T HA 0.486 4.836 4.350 -0.000 0.000 0.258 7 T C 0.581 175.388 174.700 0.179 0.000 1.031 7 T CA -0.285 61.858 62.100 0.070 0.000 0.925 7 T CB 0.353 69.215 68.868 -0.009 0.000 1.036 7 T HN 0.746 nan 8.240 nan 0.000 0.544 8 G N 1.292 110.212 108.800 0.201 0.000 2.616 8 G HA2 0.533 4.493 3.960 -0.000 0.000 0.294 8 G HA3 0.533 4.493 3.960 -0.000 0.000 0.294 8 G C -2.178 172.737 174.900 0.026 0.000 1.489 8 G CA -0.941 44.277 45.100 0.197 0.000 0.836 8 G HN 0.645 nan 8.290 nan 0.000 0.527 9 L N -1.382 119.839 121.223 -0.003 0.000 2.465 9 L HA 1.043 5.383 4.340 -0.000 0.000 0.257 9 L C -0.042 176.797 176.870 -0.052 0.000 0.988 9 L CA -0.891 53.886 54.840 -0.104 0.000 0.827 9 L CB 1.720 43.619 42.059 -0.267 0.000 1.397 9 L HN 1.296 nan 8.230 nan 0.000 0.410 10 G N 0.891 109.652 108.800 -0.065 0.000 2.667 10 G HA2 0.806 4.766 3.960 -0.000 0.000 0.298 10 G HA3 0.806 4.766 3.960 -0.000 0.000 0.298 10 G C -1.986 172.885 174.900 -0.048 0.000 1.377 10 G CA -0.705 44.370 45.100 -0.042 0.000 0.964 10 G HN 1.024 nan 8.290 nan 0.000 0.493 11 I N 0.568 121.123 120.570 -0.024 0.000 2.787 11 I HA 0.565 4.735 4.170 -0.000 0.000 0.294 11 I C -1.570 174.541 176.117 -0.010 0.000 1.365 11 I CA -0.903 60.380 61.300 -0.028 0.000 1.029 11 I CB 2.311 40.289 38.000 -0.037 0.000 1.313 11 I HN 0.357 nan 8.210 nan 0.000 0.431 12 V N 6.344 126.239 119.914 -0.032 0.000 2.445 12 V HA 0.563 4.683 4.120 -0.000 0.000 0.283 12 V C -0.283 175.729 176.094 -0.136 0.000 1.014 12 V CA -0.225 62.033 62.300 -0.070 0.000 0.852 12 V CB 1.214 32.999 31.823 -0.064 0.000 1.021 12 V HN 0.815 nan 8.190 nan 0.000 0.435 13 S N 2.221 117.869 115.700 -0.086 0.000 2.732 13 S HA 0.470 4.940 4.470 -0.000 0.000 0.293 13 S C 1.142 175.693 174.600 -0.081 0.000 1.159 13 S CA 0.083 58.239 58.200 -0.074 0.000 0.847 13 S CB 1.784 65.028 63.200 0.072 0.000 1.169 13 S HN 0.897 nan 8.310 nan 0.000 0.501 14 S N 0.309 115.968 115.700 -0.069 0.000 2.469 14 S HA -0.081 4.389 4.470 -0.000 0.000 0.238 14 S C 1.335 175.914 174.600 -0.034 0.000 0.998 14 S CA 1.075 59.236 58.200 -0.065 0.000 0.957 14 S CB -1.158 62.016 63.200 -0.044 0.000 0.764 14 S HN 1.040 nan 8.310 nan 0.000 0.514 15 I N -2.755 117.803 120.570 -0.020 0.000 3.856 15 I HA 0.701 4.871 4.170 -0.000 0.000 0.330 15 I C 0.443 176.552 176.117 -0.013 0.000 1.546 15 I CA -0.502 60.781 61.300 -0.028 0.000 1.132 15 I CB 0.290 38.247 38.000 -0.072 0.000 1.157 15 I HN 0.251 nan 8.210 nan 0.000 0.440 16 G N 1.158 109.954 108.800 -0.005 0.000 2.308 16 G HA2 0.015 3.975 3.960 -0.000 0.000 0.288 16 G HA3 0.015 3.975 3.960 -0.000 0.000 0.288 16 G C -0.807 174.093 174.900 0.000 0.000 1.722 16 G CA -0.663 44.439 45.100 0.004 0.000 0.924 16 G HN 0.030 nan 8.290 nan 0.000 0.732 17 N N 0.143 118.842 118.700 -0.001 0.000 2.280 17 N HA 0.097 4.837 4.740 -0.000 0.000 0.192 17 N C 0.385 175.904 175.510 0.015 0.000 1.109 17 N CA 0.695 53.745 53.050 -0.001 0.000 0.855 17 N CB 0.356 38.845 38.487 0.004 0.000 0.974 17 N HN 0.826 nan 8.380 nan 0.000 0.482 18 N N -1.657 117.056 118.700 0.021 0.000 3.116 18 N HA 0.003 4.743 4.740 -0.000 0.000 0.244 18 N C 0.324 175.857 175.510 0.039 0.000 1.485 18 N CA -0.708 52.359 53.050 0.028 0.000 0.884 18 N CB 0.506 39.010 38.487 0.027 0.000 1.415 18 N HN -0.161 nan 8.380 nan 0.000 0.524 19 Q N -1.161 118.667 119.800 0.048 0.000 2.291 19 Q HA -0.089 4.251 4.340 -0.000 0.000 0.205 19 Q C 0.704 176.740 176.000 0.060 0.000 0.970 19 Q CA 1.353 57.198 55.803 0.070 0.000 0.876 19 Q CB -0.208 28.582 28.738 0.087 0.000 0.935 19 Q HN 0.606 nan 8.270 nan 0.000 0.455 20 Q N 1.370 121.191 119.800 0.036 0.000 2.016 20 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 20 Q C 1.780 177.772 176.000 -0.013 0.000 0.978 20 Q CA 1.996 57.801 55.803 0.004 0.000 0.833 20 Q CB 0.023 28.761 28.738 0.001 0.000 0.895 20 Q HN 0.566 nan 8.270 nan 0.000 0.427 21 E N -0.438 119.761 120.200 -0.001 0.000 2.077 21 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 21 E C 1.996 178.592 176.600 -0.006 0.000 0.989 21 E CA 1.265 57.659 56.400 -0.009 0.000 0.800 21 E CB -0.025 29.674 29.700 -0.002 0.000 0.746 21 E HN 0.107 nan 8.360 nan 0.000 0.452 22 V N 1.579 121.508 119.914 0.026 0.000 2.295 22 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 22 V C 2.339 178.452 176.094 0.032 0.000 1.049 22 V CA 1.474 63.804 62.300 0.049 0.000 1.024 22 V CB -0.431 31.483 31.823 0.151 0.000 0.648 22 V HN 0.231 nan 8.190 nan 0.000 0.447 23 L N 0.972 122.215 121.223 0.034 0.000 2.042 23 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 23 L C 2.430 179.231 176.870 -0.116 0.000 1.076 23 L CA 2.504 57.342 54.840 -0.004 0.000 0.749 23 L CB -0.979 41.024 42.059 -0.093 0.000 0.893 23 L HN 0.227 nan 8.230 nan 0.000 0.432 24 A N -1.539 121.213 122.820 -0.113 0.000 1.902 24 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 24 A C 2.377 179.895 177.584 -0.109 0.000 1.181 24 A CA 1.953 53.911 52.037 -0.132 0.000 0.623 24 A CB -0.983 17.960 19.000 -0.095 0.000 0.818 24 A HN 0.539 nan 8.150 nan 0.000 0.443 25 S N -0.023 115.631 115.700 -0.075 0.000 2.368 25 S HA -0.102 4.368 4.470 -0.000 0.000 0.225 25 S C 1.823 176.378 174.600 -0.075 0.000 1.030 25 S CA 1.480 59.638 58.200 -0.070 0.000 0.999 25 S CB -0.475 62.684 63.200 -0.068 0.000 0.844 25 S HN 0.507 nan 8.310 nan 0.000 0.459 26 L N 0.881 122.069 121.223 -0.059 0.000 2.046 26 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 26 L C 2.693 179.582 176.870 0.033 0.000 1.077 26 L CA 1.234 56.083 54.840 0.015 0.000 0.747 26 L CB -0.455 41.711 42.059 0.179 0.000 0.896 26 L HN 0.221 nan 8.230 nan 0.000 0.432 27 R N 0.446 120.852 120.500 -0.157 0.000 2.096 27 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 27 R C 1.540 177.760 176.300 -0.134 0.000 1.127 27 R CA 1.572 57.497 56.100 -0.291 0.000 0.968 27 R CB -0.148 29.885 30.300 -0.446 0.000 0.861 27 R HN 0.572 nan 8.270 nan 0.000 0.440 28 E N -0.489 119.652 120.200 -0.098 0.000 2.499 28 E HA 0.149 4.499 4.350 -0.000 0.000 0.199 28 E C 0.334 176.910 176.600 -0.039 0.000 1.016 28 E CA 0.211 56.573 56.400 -0.064 0.000 0.933 28 E CB 0.703 30.364 29.700 -0.064 0.000 1.050 28 E HN 0.218 nan 8.360 nan 0.000 0.462 29 G N 2.627 111.408 108.800 -0.031 0.000 2.356 29 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.296 29 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.296 29 G C -0.005 174.877 174.900 -0.030 0.000 1.022 29 G CA 0.679 45.764 45.100 -0.024 0.000 0.961 29 G HN 0.397 nan 8.290 nan 0.000 0.510 30 R N 0.201 120.677 120.500 -0.040 0.000 2.347 30 R HA 0.443 4.783 4.340 -0.000 0.000 0.304 30 R C 0.876 177.157 176.300 -0.032 0.000 1.072 30 R CA 0.243 56.324 56.100 -0.032 0.000 0.980 30 R CB 0.461 30.741 30.300 -0.035 0.000 0.986 30 R HN 0.272 nan 8.270 nan 0.000 0.448 31 S N 2.069 117.760 115.700 -0.015 0.000 2.565 31 S HA 0.247 4.717 4.470 -0.000 0.000 0.276 31 S C 0.849 175.452 174.600 0.005 0.000 1.326 31 S CA -0.158 58.039 58.200 -0.005 0.000 1.045 31 S CB 1.222 64.428 63.200 0.010 0.000 0.918 31 S HN 0.793 nan 8.310 nan 0.000 0.505 32 G N 3.843 112.649 108.800 0.009 0.000 3.453 32 G HA2 0.256 4.216 3.960 -0.000 0.000 0.263 32 G HA3 0.256 4.216 3.960 -0.000 0.000 0.263 32 G C 0.018 174.952 174.900 0.057 0.000 1.060 32 G CA -0.276 44.835 45.100 0.018 0.000 0.793 32 G HN 0.601 nan 8.290 nan 0.000 0.532 33 I N 2.604 123.222 120.570 0.080 0.000 2.428 33 I HA 0.418 4.588 4.170 -0.000 0.000 0.289 33 I C 0.610 176.831 176.117 0.173 0.000 1.019 33 I CA -0.358 61.025 61.300 0.139 0.000 1.351 33 I CB 0.570 38.642 38.000 0.120 0.000 1.412 33 I HN 0.091 nan 8.210 nan 0.000 0.513 34 T N 2.477 117.189 114.554 0.264 0.000 2.865 34 T HA 0.534 4.884 4.350 -0.000 0.000 0.294 34 T C -0.511 174.345 174.700 0.260 0.000 1.119 34 T CA -0.728 61.532 62.100 0.267 0.000 1.007 34 T CB 1.756 70.795 68.868 0.285 0.000 1.225 34 T HN 0.204 nan 8.240 nan 0.000 0.515 35 F N 1.565 121.565 119.950 0.084 0.000 2.471 35 F HA 0.561 5.088 4.527 0.000 0.000 0.353 35 F C 0.465 176.186 175.800 -0.131 0.000 1.113 35 F CA -0.090 57.905 58.000 -0.009 0.000 1.262 35 F CB 0.941 39.944 39.000 0.006 0.000 1.146 35 F HN 0.688 nan 8.300 nan 0.000 0.578 36 S N 4.686 119.585 115.700 -1.335 0.000 2.640 36 S HA 0.202 4.672 4.470 -0.000 0.000 0.320 36 S C 0.449 174.232 174.600 -1.362 0.000 1.097 36 S CA -0.667 56.709 58.200 -1.374 0.000 1.092 36 S CB 1.288 63.185 63.200 -2.171 0.000 0.988 36 S HN 0.865 nan 8.310 nan 0.000 0.470 37 Q N 3.383 122.714 119.800 -0.782 0.000 2.119 37 Q HA -0.072 4.268 4.340 -0.000 0.000 0.201 37 Q C 1.738 177.499 176.000 -0.397 0.000 0.972 37 Q CA 2.225 57.777 55.803 -0.418 0.000 0.847 37 Q CB -0.175 28.529 28.738 -0.056 0.000 0.903 37 Q HN 0.907 nan 8.270 nan 0.000 0.433 38 E N -0.425 119.546 120.200 -0.381 0.000 2.038 38 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 38 E C 1.863 178.285 176.600 -0.296 0.000 1.000 38 E CA 1.513 57.768 56.400 -0.241 0.000 0.803 38 E CB -0.231 29.433 29.700 -0.060 0.000 0.750 38 E HN 0.455 nan 8.360 nan 0.000 0.448 39 L N 0.627 121.572 121.223 -0.464 0.000 2.012 39 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 39 L C 2.883 179.575 176.870 -0.297 0.000 1.073 39 L CA 1.676 56.340 54.840 -0.292 0.000 0.748 39 L CB -0.576 41.273 42.059 -0.350 0.000 0.891 39 L HN 0.165 nan 8.230 nan 0.000 0.431 40 K N 0.205 120.289 120.400 -0.527 0.000 2.026 40 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 40 K C 1.720 178.100 176.600 -0.366 0.000 1.048 40 K CA 1.866 57.748 56.287 -0.675 0.000 0.929 40 K CB -0.024 31.983 32.500 -0.821 0.000 0.713 40 K HN 0.223 nan 8.250 nan 0.000 0.439 41 D N 0.248 120.463 120.400 -0.307 0.000 2.178 41 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 41 D C 1.914 178.036 176.300 -0.298 0.000 0.980 41 D CA 1.564 55.415 54.000 -0.249 0.000 0.842 41 D CB -0.197 40.472 40.800 -0.218 0.000 0.948 41 D HN 0.369 nan 8.370 nan 0.000 0.472 42 S N -0.775 114.710 115.700 -0.359 0.000 2.507 42 S HA 0.086 4.556 4.470 -0.000 0.000 0.235 42 S C 1.755 176.191 174.600 -0.273 0.000 0.988 42 S CA 1.088 58.995 58.200 -0.488 0.000 0.944 42 S CB 0.083 63.001 63.200 -0.470 0.000 0.762 42 S HN 0.345 nan 8.310 nan 0.000 0.526 43 G N 0.392 109.092 108.800 -0.167 0.000 2.163 43 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.213 43 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.213 43 G C 0.005 174.910 174.900 0.008 0.000 0.991 43 G CA 0.079 45.133 45.100 -0.076 0.000 0.653 43 G HN 0.485 nan 8.290 nan 0.000 0.518 44 M N -0.585 119.037 119.600 0.036 0.000 2.163 44 M HA 0.446 4.926 4.480 -0.000 0.000 0.305 44 M C 1.864 178.280 176.300 0.194 0.000 1.166 44 M CA 0.043 55.408 55.300 0.108 0.000 1.132 44 M CB 0.522 33.194 32.600 0.119 0.000 1.413 44 M HN 0.139 nan 8.290 nan 0.000 0.478 45 R N -0.524 120.032 120.500 0.093 0.000 2.175 45 R HA 0.121 4.461 4.340 -0.000 0.000 0.202 45 R C 0.429 176.581 176.300 -0.247 0.000 1.018 45 R CA 0.182 56.262 56.100 -0.033 0.000 1.029 45 R CB 0.291 30.570 30.300 -0.035 0.000 0.959 45 R HN 0.578 nan 8.270 nan 0.000 0.480 46 S N 0.553 116.210 115.700 -0.072 0.000 2.465 46 S HA 0.113 4.583 4.470 -0.000 0.000 0.279 46 S C -0.075 174.551 174.600 0.043 0.000 1.201 46 S CA -0.508 57.641 58.200 -0.085 0.000 1.053 46 S CB 0.282 63.459 63.200 -0.038 0.000 0.953 46 S HN 0.340 nan 8.310 nan 0.000 0.488 47 H N 2.939 121.954 119.070 -0.090 0.000 2.512 47 H HA 0.338 4.894 4.556 -0.000 0.000 0.276 47 H C -0.018 175.093 175.328 -0.361 0.000 1.126 47 H CA -0.617 55.270 56.048 -0.268 0.000 1.060 47 H CB 0.514 30.200 29.762 -0.127 0.000 1.646 47 H HN 0.461 nan 8.280 nan 0.000 0.571 48 V N -1.802 118.061 119.914 -0.085 0.000 2.914 48 V HA 0.645 4.765 4.120 -0.000 0.000 0.314 48 V C -1.326 174.830 176.094 0.102 0.000 1.084 48 V CA -0.930 61.352 62.300 -0.030 0.000 0.963 48 V CB 2.227 34.112 31.823 0.104 0.000 1.025 48 V HN 0.393 nan 8.190 nan 0.000 0.432 49 W N 1.013 122.328 121.300 0.024 0.000 3.005 49 W HA 0.817 5.477 4.660 0.000 0.000 0.343 49 W C -0.304 176.237 176.519 0.037 0.000 1.243 49 W CA -1.711 55.653 57.345 0.031 0.000 1.186 49 W CB 0.817 30.292 29.460 0.025 0.000 1.453 49 W HN 1.037 nan 8.180 nan 0.000 0.575 50 G N 1.931 110.847 108.800 0.192 0.000 3.444 50 G HA2 0.362 4.322 3.960 -0.000 0.000 0.315 50 G HA3 0.362 4.322 3.960 -0.000 0.000 0.315 50 G C -0.369 174.407 174.900 -0.208 0.000 1.079 50 G CA -0.820 44.295 45.100 0.024 0.000 1.500 50 G HN 0.608 nan 8.290 nan 0.000 0.518 51 N N -0.214 118.249 118.700 -0.396 0.000 2.503 51 N HA 0.328 5.068 4.740 -0.000 0.000 0.267 51 N C -0.325 174.998 175.510 -0.313 0.000 1.214 51 N CA -0.840 51.855 53.050 -0.592 0.000 0.959 51 N CB 1.784 39.809 38.487 -0.771 0.000 1.142 51 N HN -0.045 nan 8.380 nan 0.000 0.455 52 V N 1.407 121.121 119.914 -0.334 0.000 2.427 52 V HA 0.046 4.166 4.120 -0.000 0.000 0.268 52 V C 0.239 176.247 176.094 -0.142 0.000 1.046 52 V CA -0.341 61.794 62.300 -0.275 0.000 0.970 52 V CB 0.265 31.801 31.823 -0.478 0.000 1.001 52 V HN 0.701 nan 8.190 nan 0.000 0.476 53 K N 5.970 126.319 120.400 -0.085 0.000 2.180 53 K HA 0.556 4.876 4.320 -0.000 0.000 0.250 53 K C -0.843 175.752 176.600 -0.008 0.000 1.135 53 K CA -0.214 56.058 56.287 -0.026 0.000 1.037 53 K CB 0.344 32.841 32.500 -0.005 0.000 1.624 53 K HN 0.427 nan 8.250 nan 0.000 0.382 54 L N 0.879 122.107 121.223 0.009 0.000 2.592 54 L HA 0.274 4.614 4.340 -0.000 0.000 0.258 54 L C -1.952 174.949 176.870 0.052 0.000 0.926 54 L CA -0.568 54.290 54.840 0.030 0.000 0.885 54 L CB 2.058 44.136 42.059 0.032 0.000 1.380 54 L HN 0.239 nan 8.230 nan 0.000 0.415 55 D N 1.847 122.275 120.400 0.046 0.000 2.347 55 D HA 0.291 4.931 4.640 -0.000 0.000 0.235 55 D C 0.853 177.182 176.300 0.049 0.000 1.149 55 D CA 0.437 54.464 54.000 0.046 0.000 0.850 55 D CB 1.418 42.240 40.800 0.035 0.000 1.061 55 D HN 0.693 nan 8.370 nan 0.000 0.487 56 T N -0.122 114.465 114.554 0.056 0.000 3.129 56 T HA 0.040 4.390 4.350 -0.000 0.000 0.251 56 T C 0.803 175.514 174.700 0.018 0.000 1.117 56 T CA -0.288 61.843 62.100 0.051 0.000 1.034 56 T CB -0.411 68.495 68.868 0.063 0.000 0.968 56 T HN 0.248 nan 8.240 nan 0.000 0.526 57 T N 2.632 117.193 114.554 0.012 0.000 2.866 57 T HA 0.388 4.738 4.350 -0.000 0.000 0.293 57 T C 1.547 176.243 174.700 -0.006 0.000 1.005 57 T CA 0.892 62.990 62.100 -0.004 0.000 1.162 57 T CB -0.043 68.826 68.868 0.001 0.000 0.968 57 T HN 0.733 nan 8.240 nan 0.000 0.530 58 G N 2.784 111.570 108.800 -0.023 0.000 2.189 58 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 58 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 58 G C 0.870 175.764 174.900 -0.009 0.000 0.975 58 G CA 0.412 45.499 45.100 -0.021 0.000 0.644 58 G HN 0.705 nan 8.290 nan 0.000 0.537 59 L N -0.569 120.654 121.223 0.001 0.000 2.313 59 L HA 0.325 4.665 4.340 -0.000 0.000 0.214 59 L C 1.299 178.187 176.870 0.030 0.000 1.119 59 L CA 0.741 55.602 54.840 0.034 0.000 0.809 59 L CB -0.081 42.017 42.059 0.065 0.000 0.933 59 L HN 0.307 nan 8.230 nan 0.000 0.449 60 I N -1.069 119.467 120.570 -0.056 0.000 2.608 60 I HA 0.167 4.337 4.170 -0.000 0.000 0.295 60 I C -0.153 175.868 176.117 -0.161 0.000 1.049 60 I CA -0.902 60.298 61.300 -0.165 0.000 1.063 60 I CB 2.096 39.851 38.000 -0.409 0.000 1.248 60 I HN -0.143 nan 8.210 nan 0.000 0.424 61 D N 5.083 125.392 120.400 -0.152 0.000 2.583 61 D HA -0.069 4.571 4.640 -0.000 0.000 0.232 61 D C 1.412 177.628 176.300 -0.141 0.000 1.128 61 D CA 0.310 54.241 54.000 -0.116 0.000 0.859 61 D CB 1.058 41.800 40.800 -0.097 0.000 1.169 61 D HN 0.624 nan 8.370 nan 0.000 0.481 62 R N 3.811 124.245 120.500 -0.110 0.000 2.103 62 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 62 R C 1.590 177.802 176.300 -0.148 0.000 1.142 62 R CA 1.174 57.197 56.100 -0.128 0.000 0.960 62 R CB -0.226 30.016 30.300 -0.097 0.000 0.858 62 R HN 0.357 nan 8.270 nan 0.000 0.439 63 K N 0.581 120.923 120.400 -0.097 0.000 2.288 63 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 63 K C 1.919 178.523 176.600 0.008 0.000 1.048 63 K CA 0.998 57.255 56.287 -0.051 0.000 0.956 63 K CB 0.253 32.755 32.500 0.003 0.000 0.746 63 K HN 0.070 nan 8.250 nan 0.000 0.461 64 V N 0.080 119.952 119.914 -0.069 0.000 2.426 64 V HA -0.109 4.011 4.120 -0.000 0.000 0.242 64 V C 1.937 177.952 176.094 -0.132 0.000 1.036 64 V CA 0.887 63.139 62.300 -0.080 0.000 1.044 64 V CB 0.268 31.958 31.823 -0.222 0.000 0.688 64 V HN 0.074 nan 8.190 nan 0.000 0.462 65 V N 2.368 122.134 119.914 -0.247 0.000 2.759 65 V HA -0.214 3.906 4.120 -0.000 0.000 0.256 65 V C 2.753 178.668 176.094 -0.297 0.000 1.080 65 V CA 2.187 64.319 62.300 -0.281 0.000 1.101 65 V CB -0.663 30.996 31.823 -0.274 0.000 0.698 65 V HN 0.723 nan 8.190 nan 0.000 0.477 66 R N -1.056 119.212 120.500 -0.386 0.000 2.249 66 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 66 R C 1.636 177.428 176.300 -0.847 0.000 1.121 66 R CA 2.032 57.700 56.100 -0.719 0.000 0.997 66 R CB -0.649 29.007 30.300 -1.074 0.000 0.867 66 R HN 0.514 nan 8.270 nan 0.000 0.465 67 F N 0.791 120.507 119.950 -0.390 0.000 2.727 67 F HA 0.379 4.906 4.527 0.000 0.000 0.302 67 F C 0.687 176.341 175.800 -0.243 0.000 1.097 67 F CA -0.336 57.529 58.000 -0.225 0.000 1.330 67 F CB 0.312 39.247 39.000 -0.109 0.000 1.084 67 F HN -0.118 nan 8.300 nan 0.000 0.578 68 M N -0.179 119.321 119.600 -0.166 0.000 2.472 68 M HA 0.376 4.856 4.480 -0.000 0.000 0.331 68 M C 0.299 176.402 176.300 -0.328 0.000 1.170 68 M CA -0.706 54.472 55.300 -0.203 0.000 1.009 68 M CB 1.801 34.291 32.600 -0.184 0.000 1.672 68 M HN -0.030 nan 8.290 nan 0.000 0.453 69 S N -0.375 115.166 115.700 -0.265 0.000 2.730 69 S HA 0.342 4.812 4.470 -0.000 0.000 0.284 69 S C 0.259 174.768 174.600 -0.153 0.000 1.153 69 S CA -0.763 57.312 58.200 -0.207 0.000 0.995 69 S CB 1.083 64.237 63.200 -0.076 0.000 1.058 69 S HN 0.670 nan 8.310 nan 0.000 0.552 70 D N 1.127 121.449 120.400 -0.129 0.000 2.149 70 D HA -0.047 4.593 4.640 -0.000 0.000 0.198 70 D C 2.163 178.134 176.300 -0.549 0.000 0.990 70 D CA 1.821 55.566 54.000 -0.426 0.000 0.839 70 D CB -0.846 39.719 40.800 -0.392 0.000 0.948 70 D HN 0.680 nan 8.370 nan 0.000 0.460 71 A N 0.342 123.040 122.820 -0.204 0.000 1.908 71 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 71 A C 2.413 179.980 177.584 -0.029 0.000 1.181 71 A CA 1.946 53.954 52.037 -0.049 0.000 0.627 71 A CB -0.549 18.469 19.000 0.029 0.000 0.818 71 A HN 0.185 nan 8.150 nan 0.000 0.445 72 S N -0.397 115.271 115.700 -0.053 0.000 2.406 72 S HA -0.024 4.446 4.470 -0.000 0.000 0.228 72 S C 1.765 176.382 174.600 0.029 0.000 1.020 72 S CA 1.153 59.357 58.200 0.007 0.000 0.965 72 S CB -0.422 62.770 63.200 -0.014 0.000 0.798 72 S HN 0.541 nan 8.310 nan 0.000 0.488 73 I N 0.468 120.975 120.570 -0.105 0.000 2.142 73 I HA -0.204 3.966 4.170 -0.000 0.000 0.240 73 I C 2.028 178.208 176.117 0.105 0.000 1.078 73 I CA 1.340 62.593 61.300 -0.077 0.000 1.343 73 I CB -0.482 37.371 38.000 -0.244 0.000 1.046 73 I HN 0.247 nan 8.210 nan 0.000 0.405 74 Y N 0.947 121.292 120.300 0.075 0.000 2.207 74 Y HA -0.222 4.328 4.550 -0.000 0.000 0.287 74 Y C 2.636 178.582 175.900 0.077 0.000 1.156 74 Y CA 0.833 58.971 58.100 0.063 0.000 1.182 74 Y CB -1.393 37.082 38.460 0.026 0.000 0.979 74 Y HN 0.152 nan 8.280 nan 0.000 0.521 75 A N -0.724 122.236 122.820 0.233 0.000 1.929 75 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 75 A C 2.164 179.843 177.584 0.158 0.000 1.176 75 A CA 1.004 53.132 52.037 0.151 0.000 0.628 75 A CB -1.229 17.840 19.000 0.114 0.000 0.816 75 A HN 0.418 nan 8.150 nan 0.000 0.444 76 F N 0.763 120.769 119.950 0.093 0.000 2.075 76 F HA -0.146 4.381 4.527 -0.000 0.000 0.297 76 F C 1.933 177.824 175.800 0.151 0.000 1.113 76 F CA 1.842 59.938 58.000 0.160 0.000 1.218 76 F CB -0.219 38.852 39.000 0.119 0.000 0.984 76 F HN 0.134 nan 8.300 nan 0.000 0.472 77 L N -0.702 120.726 121.223 0.341 0.000 2.083 77 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 77 L C 2.484 179.393 176.870 0.064 0.000 1.083 77 L CA 1.381 56.347 54.840 0.210 0.000 0.752 77 L CB -0.966 41.230 42.059 0.227 0.000 0.899 77 L HN 0.103 nan 8.230 nan 0.000 0.433 78 S N -0.392 115.339 115.700 0.052 0.000 2.368 78 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 78 S C 1.940 176.483 174.600 -0.095 0.000 1.029 78 S CA 1.481 59.675 58.200 -0.011 0.000 0.988 78 S CB -0.208 62.992 63.200 -0.001 0.000 0.838 78 S HN 0.352 nan 8.310 nan 0.000 0.462 79 M N 1.347 120.835 119.600 -0.187 0.000 2.175 79 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 79 M C 1.971 178.014 176.300 -0.429 0.000 1.063 79 M CA 1.381 56.438 55.300 -0.404 0.000 1.119 79 M CB -0.147 32.003 32.600 -0.750 0.000 1.377 79 M HN 0.263 nan 8.290 nan 0.000 0.415 80 E N -0.180 119.842 120.200 -0.297 0.000 2.058 80 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 80 E C 2.024 178.567 176.600 -0.095 0.000 0.997 80 E CA 1.690 57.997 56.400 -0.155 0.000 0.801 80 E CB -0.162 29.509 29.700 -0.049 0.000 0.746 80 E HN 0.669 nan 8.360 nan 0.000 0.450 81 Q N 0.088 119.850 119.800 -0.063 0.000 2.050 81 Q HA -0.158 4.181 4.340 -0.000 0.000 0.202 81 Q C 2.258 178.241 176.000 -0.028 0.000 0.980 81 Q CA 1.360 57.149 55.803 -0.023 0.000 0.840 81 Q CB -0.197 28.536 28.738 -0.007 0.000 0.898 81 Q HN 0.235 nan 8.270 nan 0.000 0.424 82 A N 0.987 123.772 122.820 -0.059 0.000 1.883 82 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 82 A C 2.054 179.629 177.584 -0.016 0.000 1.186 82 A CA 1.309 53.328 52.037 -0.029 0.000 0.624 82 A CB -0.721 18.261 19.000 -0.030 0.000 0.822 82 A HN 0.320 nan 8.150 nan 0.000 0.444 83 I N -0.369 120.146 120.570 -0.092 0.000 2.179 83 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 83 I C 2.978 179.080 176.117 -0.026 0.000 1.088 83 I CA 1.121 62.357 61.300 -0.107 0.000 1.357 83 I CB -0.376 37.436 38.000 -0.313 0.000 1.051 83 I HN 0.371 nan 8.210 nan 0.000 0.409 84 A N 0.285 123.098 122.820 -0.012 0.000 1.898 84 A HA -0.287 4.033 4.320 -0.000 0.000 0.216 84 A C 1.991 179.597 177.584 0.037 0.000 1.181 84 A CA 2.257 54.308 52.037 0.023 0.000 0.620 84 A CB -0.703 18.312 19.000 0.024 0.000 0.819 84 A HN 0.439 nan 8.150 nan 0.000 0.442 85 D N -0.245 120.183 120.400 0.046 0.000 2.144 85 D HA -0.001 4.639 4.640 -0.000 0.000 0.199 85 D C 1.855 178.214 176.300 0.098 0.000 0.984 85 D CA 1.417 55.468 54.000 0.086 0.000 0.834 85 D CB -0.154 40.723 40.800 0.129 0.000 0.955 85 D HN 0.337 nan 8.370 nan 0.000 0.465 86 A N -0.669 122.196 122.820 0.076 0.000 2.167 86 A HA 0.355 4.675 4.320 -0.000 0.000 0.214 86 A C 1.825 179.441 177.584 0.052 0.000 1.151 86 A CA 1.066 53.142 52.037 0.064 0.000 0.735 86 A CB -0.655 18.357 19.000 0.021 0.000 0.802 86 A HN 0.463 nan 8.150 nan 0.000 0.467 87 G N -0.944 107.887 108.800 0.051 0.000 2.221 87 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.265 87 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.265 87 G C -0.059 174.883 174.900 0.070 0.000 1.041 87 G CA 0.390 45.520 45.100 0.052 0.000 0.807 87 G HN 0.462 nan 8.290 nan 0.000 0.502 88 L N 1.017 122.292 121.223 0.087 0.000 2.276 88 L HA 0.504 4.844 4.340 -0.000 0.000 0.286 88 L C 0.753 177.761 176.870 0.230 0.000 1.061 88 L CA -0.520 54.413 54.840 0.156 0.000 0.807 88 L CB 1.581 43.735 42.059 0.158 0.000 1.177 88 L HN 0.165 nan 8.230 nan 0.000 0.429 89 S N 3.686 119.522 115.700 0.225 0.000 2.616 89 S HA 0.280 4.750 4.470 -0.000 0.000 0.277 89 S C -1.630 173.099 174.600 0.216 0.000 1.234 89 S CA -1.113 57.203 58.200 0.193 0.000 1.028 89 S CB 1.702 64.961 63.200 0.098 0.000 0.988 89 S HN 0.426 nan 8.310 nan 0.000 0.522 90 P HA -0.194 nan 4.420 nan 0.000 0.216 90 P C 1.326 178.441 177.300 -0.307 0.000 1.157 90 P CA 0.903 63.868 63.100 -0.225 0.000 0.880 90 P CB 0.118 31.757 31.700 -0.102 0.000 0.791 91 E N -0.600 119.529 120.200 -0.119 0.000 2.472 91 E HA -0.119 4.231 4.350 -0.000 0.000 0.200 91 E C 1.506 178.074 176.600 -0.054 0.000 1.046 91 E CA 0.894 57.238 56.400 -0.094 0.000 0.871 91 E CB -0.230 29.444 29.700 -0.043 0.000 0.806 91 E HN 0.130 nan 8.360 nan 0.000 0.533 92 A N -0.189 122.632 122.820 0.001 0.000 2.063 92 A HA -0.043 4.277 4.320 -0.000 0.000 0.211 92 A C 1.546 179.224 177.584 0.157 0.000 1.177 92 A CA 0.697 52.791 52.037 0.095 0.000 0.759 92 A CB -0.194 18.901 19.000 0.159 0.000 0.857 92 A HN 0.442 nan 8.150 nan 0.000 0.468 93 Y N -1.571 118.775 120.300 0.075 0.000 2.423 93 Y HA 0.439 4.989 4.550 -0.000 0.000 0.257 93 Y C 0.593 176.527 175.900 0.056 0.000 1.087 93 Y CA -0.646 57.516 58.100 0.104 0.000 1.258 93 Y CB -0.134 38.459 38.460 0.223 0.000 1.237 93 Y HN 0.150 nan 8.280 nan 0.000 0.517 94 Q N 2.020 121.459 119.800 -0.602 0.000 2.306 94 Q HA 0.176 4.516 4.340 -0.000 0.000 0.241 94 Q C -0.210 175.586 176.000 -0.340 0.000 0.948 94 Q CA -0.403 55.118 55.803 -0.470 0.000 0.886 94 Q CB 0.388 28.796 28.738 -0.550 0.000 1.227 94 Q HN 0.340 nan 8.270 nan 0.000 0.457 95 N N 1.761 120.156 118.700 -0.508 0.000 2.716 95 N HA -0.202 4.538 4.740 -0.000 0.000 0.250 95 N C -1.124 174.133 175.510 -0.422 0.000 1.033 95 N CA 0.787 53.301 53.050 -0.892 0.000 0.727 95 N CB -1.058 37.139 38.487 -0.483 0.000 0.950 95 N HN 0.571 nan 8.380 nan 0.000 0.541 96 N N 0.042 118.612 118.700 -0.218 0.000 2.442 96 N HA 0.328 5.068 4.740 -0.000 0.000 0.274 96 N C -1.987 173.569 175.510 0.078 0.000 1.002 96 N CA -1.906 51.133 53.050 -0.018 0.000 0.910 96 N CB 1.681 40.174 38.487 0.011 0.000 1.244 96 N HN -0.192 nan 8.380 nan 0.000 0.492 97 P HA 0.008 nan 4.420 nan 0.000 0.221 97 P C 0.464 177.802 177.300 0.063 0.000 1.145 97 P CA 1.061 64.229 63.100 0.114 0.000 0.795 97 P CB 0.337 32.091 31.700 0.090 0.000 0.775 98 R N -1.051 119.472 120.500 0.039 0.000 2.388 98 R HA 0.197 4.537 4.340 -0.000 0.000 0.247 98 R C -0.373 175.911 176.300 -0.026 0.000 0.931 98 R CA 0.023 56.122 56.100 -0.001 0.000 1.082 98 R CB 0.398 30.688 30.300 -0.016 0.000 1.135 98 R HN 0.065 nan 8.270 nan 0.000 0.525 99 V N 0.475 120.404 119.914 0.025 0.000 2.409 99 V HA 0.551 4.671 4.120 -0.000 0.000 0.291 99 V C 0.398 176.546 176.094 0.090 0.000 1.020 99 V CA -0.728 61.600 62.300 0.048 0.000 0.848 99 V CB 1.564 33.476 31.823 0.149 0.000 0.990 99 V HN 0.301 nan 8.190 nan 0.000 0.430 100 G N 3.330 112.159 108.800 0.049 0.000 3.042 100 G HA2 0.843 4.803 3.960 -0.000 0.000 0.278 100 G HA3 0.843 4.803 3.960 -0.000 0.000 0.278 100 G C -1.711 173.242 174.900 0.089 0.000 1.371 100 G CA -0.770 44.355 45.100 0.042 0.000 1.009 100 G HN 0.673 nan 8.290 nan 0.000 0.523 101 L N -0.254 120.965 121.223 -0.007 0.000 2.505 101 L HA 0.687 5.027 4.340 -0.000 0.000 0.266 101 L C -1.510 175.277 176.870 -0.138 0.000 0.954 101 L CA -0.725 54.114 54.840 -0.000 0.000 0.852 101 L CB 1.817 43.891 42.059 0.025 0.000 1.282 101 L HN 0.431 nan 8.230 nan 0.000 0.403 102 I N 5.213 125.714 120.570 -0.114 0.000 2.476 102 I HA 0.741 4.911 4.170 -0.000 0.000 0.281 102 I C -0.581 175.517 176.117 -0.031 0.000 1.040 102 I CA -0.304 60.914 61.300 -0.137 0.000 1.094 102 I CB 1.730 39.634 38.000 -0.160 0.000 1.219 102 I HN 0.673 nan 8.210 nan 0.000 0.450 103 A N 4.207 127.031 122.820 0.007 0.000 2.589 103 A HA 0.955 5.275 4.320 -0.000 0.000 0.296 103 A C -0.715 176.902 177.584 0.054 0.000 1.062 103 A CA -0.346 51.708 52.037 0.028 0.000 0.686 103 A CB 1.871 20.881 19.000 0.016 0.000 1.282 103 A HN 0.761 nan 8.150 nan 0.000 0.404 104 G N -0.308 108.526 108.800 0.057 0.000 2.782 104 G HA2 0.866 4.826 3.960 -0.000 0.000 0.304 104 G HA3 0.866 4.826 3.960 -0.000 0.000 0.304 104 G C -0.483 174.451 174.900 0.057 0.000 1.315 104 G CA 0.256 45.394 45.100 0.064 0.000 0.791 104 G HN 1.977 nan 8.290 nan 0.000 0.519 105 S N -2.246 113.488 115.700 0.057 0.000 2.661 105 S HA 0.665 5.135 4.470 -0.000 0.000 0.285 105 S C 0.956 175.586 174.600 0.050 0.000 1.138 105 S CA 0.290 58.522 58.200 0.054 0.000 0.855 105 S CB 1.446 64.681 63.200 0.059 0.000 1.136 105 S HN 1.545 nan 8.310 nan 0.000 0.484 106 G N -0.504 108.323 108.800 0.045 0.000 2.494 106 G HA2 0.386 4.346 3.960 -0.000 0.000 0.216 106 G HA3 0.386 4.346 3.960 -0.000 0.000 0.216 106 G C 0.769 175.707 174.900 0.063 0.000 1.140 106 G CA 0.301 45.428 45.100 0.044 0.000 0.801 106 G HN 1.372 nan 8.290 nan 0.000 0.536 107 G N -1.275 107.567 108.800 0.070 0.000 4.530 107 G HA2 0.490 4.450 3.960 -0.000 0.000 0.284 107 G HA3 0.490 4.450 3.960 -0.000 0.000 0.284 107 G C 0.963 175.902 174.900 0.065 0.000 1.008 107 G CA 0.807 45.949 45.100 0.071 0.000 0.770 107 G HN 1.016 nan 8.290 nan 0.000 0.424 108 G N 0.719 109.556 108.800 0.062 0.000 2.686 108 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.329 108 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.329 108 G C 0.535 175.478 174.900 0.073 0.000 1.187 108 G CA 0.980 46.118 45.100 0.062 0.000 0.965 108 G HN 1.635 nan 8.290 nan 0.000 0.549 109 S N 1.348 117.102 115.700 0.089 0.000 2.383 109 S HA 0.634 5.104 4.470 -0.000 0.000 0.196 109 S C -1.355 173.308 174.600 0.106 0.000 1.364 109 S CA 0.061 58.335 58.200 0.124 0.000 1.212 109 S CB 1.774 65.104 63.200 0.218 0.000 1.171 109 S HN 0.242 nan 8.310 nan 0.000 0.456 110 P HA -0.119 nan 4.420 nan 0.000 0.216 110 P C 1.531 178.795 177.300 -0.060 0.000 1.150 110 P CA 0.772 63.865 63.100 -0.012 0.000 0.837 110 P CB 0.127 31.799 31.700 -0.046 0.000 0.786 111 R N -0.953 119.490 120.500 -0.095 0.000 2.083 111 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 111 R C 1.897 178.082 176.300 -0.193 0.000 1.137 111 R CA 1.710 57.678 56.100 -0.220 0.000 0.951 111 R CB -0.908 29.209 30.300 -0.304 0.000 0.851 111 R HN 0.110 nan 8.270 nan 0.000 0.434 112 F N 0.789 120.756 119.950 0.028 0.000 2.456 112 F HA 0.015 4.542 4.527 0.000 0.000 0.298 112 F C 2.425 178.322 175.800 0.161 0.000 1.104 112 F CA 0.854 58.925 58.000 0.119 0.000 1.435 112 F CB 0.051 39.085 39.000 0.056 0.000 1.078 112 F HN 0.118 nan 8.300 nan 0.000 0.546 113 Q N -0.277 119.651 119.800 0.214 0.000 2.079 113 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 113 Q C 2.398 178.453 176.000 0.091 0.000 0.974 113 Q CA 1.596 57.481 55.803 0.137 0.000 0.840 113 Q CB -0.412 28.373 28.738 0.080 0.000 0.898 113 Q HN 0.277 nan 8.270 nan 0.000 0.430 114 V N 0.808 120.752 119.914 0.050 0.000 2.358 114 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 114 V C 1.959 178.084 176.094 0.052 0.000 1.047 114 V CA 1.670 63.982 62.300 0.019 0.000 1.035 114 V CB -0.662 31.131 31.823 -0.050 0.000 0.658 114 V HN 0.309 nan 8.190 nan 0.000 0.452 115 F N 2.281 122.197 119.950 -0.056 0.000 2.091 115 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 115 F C 2.178 177.994 175.800 0.027 0.000 1.103 115 F CA 1.876 59.852 58.000 -0.040 0.000 1.228 115 F CB -0.998 37.936 39.000 -0.110 0.000 0.984 115 F HN 0.133 nan 8.300 nan 0.000 0.477 116 G N -0.259 108.521 108.800 -0.034 0.000 2.459 116 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 116 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 116 G C 1.834 176.639 174.900 -0.159 0.000 1.183 116 G CA 1.123 46.146 45.100 -0.127 0.000 0.776 116 G HN 0.677 nan 8.290 nan 0.000 0.552 117 A N 0.895 123.670 122.820 -0.075 0.000 1.902 117 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 117 A C 2.117 179.647 177.584 -0.090 0.000 1.181 117 A CA 2.191 54.192 52.037 -0.060 0.000 0.623 117 A CB -0.430 18.558 19.000 -0.018 0.000 0.818 117 A HN 0.297 nan 8.150 nan 0.000 0.443 118 D N 0.086 120.417 120.400 -0.114 0.000 2.097 118 D HA -0.040 4.600 4.640 -0.000 0.000 0.195 118 D C 2.286 178.483 176.300 -0.170 0.000 0.989 118 D CA 1.637 55.574 54.000 -0.106 0.000 0.827 118 D CB -0.535 40.224 40.800 -0.069 0.000 0.966 118 D HN 0.402 nan 8.370 nan 0.000 0.456 119 A N 0.688 123.305 122.820 -0.338 0.000 1.902 119 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 119 A C 2.145 179.616 177.584 -0.188 0.000 1.181 119 A CA 1.887 53.722 52.037 -0.338 0.000 0.623 119 A CB -0.588 18.038 19.000 -0.623 0.000 0.818 119 A HN 0.173 nan 8.150 nan 0.000 0.443 120 M N -0.074 119.427 119.600 -0.166 0.000 2.202 120 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 120 M C 1.746 178.006 176.300 -0.067 0.000 1.063 120 M CA 1.507 56.749 55.300 -0.096 0.000 1.097 120 M CB -0.450 32.105 32.600 -0.075 0.000 1.382 120 M HN 0.365 nan 8.290 nan 0.000 0.413 121 R N -0.169 120.291 120.500 -0.066 0.000 2.310 121 R HA 0.235 4.575 4.340 -0.000 0.000 0.202 121 R C 0.994 177.272 176.300 -0.038 0.000 0.933 121 R CA 0.239 56.313 56.100 -0.042 0.000 1.054 121 R CB -0.297 29.984 30.300 -0.032 0.000 0.985 121 R HN 0.457 nan 8.270 nan 0.000 0.489 122 G N 1.023 109.793 108.800 -0.050 0.000 2.537 122 G HA2 0.151 4.111 3.960 -0.000 0.000 0.297 122 G HA3 0.151 4.111 3.960 -0.000 0.000 0.297 122 G C -1.503 173.380 174.900 -0.028 0.000 1.310 122 G CA -0.980 44.098 45.100 -0.037 0.000 1.027 122 G HN -0.080 nan 8.290 nan 0.000 0.505 123 P HA -0.019 nan 4.420 nan 0.000 0.226 123 P C 1.127 178.419 177.300 -0.013 0.000 1.153 123 P CA 0.578 63.670 63.100 -0.012 0.000 0.777 123 P CB 0.407 32.104 31.700 -0.006 0.000 0.794 124 R N -0.734 119.756 120.500 -0.017 0.000 2.254 124 R HA 0.165 4.505 4.340 -0.000 0.000 0.195 124 R C 1.757 178.043 176.300 -0.023 0.000 0.957 124 R CA 0.788 56.880 56.100 -0.014 0.000 1.024 124 R CB -0.636 29.660 30.300 -0.007 0.000 0.952 124 R HN 0.212 nan 8.270 nan 0.000 0.484 125 G N 2.038 110.816 108.800 -0.036 0.000 2.651 125 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.315 125 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.315 125 G C 0.974 175.847 174.900 -0.045 0.000 1.258 125 G CA 0.571 45.647 45.100 -0.041 0.000 1.002 125 G HN 0.258 nan 8.290 nan 0.000 0.551 126 L N 0.552 121.754 121.223 -0.034 0.000 2.127 126 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 126 L C 3.034 179.889 176.870 -0.025 0.000 1.089 126 L CA 2.221 57.042 54.840 -0.031 0.000 0.757 126 L CB -0.504 41.540 42.059 -0.025 0.000 0.899 126 L HN 0.538 nan 8.230 nan 0.000 0.434 127 K N -0.020 120.370 120.400 -0.018 0.000 2.097 127 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 127 K C 2.212 178.819 176.600 0.012 0.000 1.049 127 K CA 1.318 57.602 56.287 -0.005 0.000 0.933 127 K CB -0.205 32.294 32.500 -0.001 0.000 0.717 127 K HN 0.299 nan 8.250 nan 0.000 0.442 128 A N 0.965 123.784 122.820 -0.002 0.000 1.968 128 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 128 A C 2.324 179.917 177.584 0.016 0.000 1.169 128 A CA 0.901 52.945 52.037 0.011 0.000 0.638 128 A CB -0.372 18.601 19.000 -0.046 0.000 0.812 128 A HN 0.042 nan 8.150 nan 0.000 0.446 129 V N -0.476 119.414 119.914 -0.041 0.000 2.295 129 V HA 0.171 4.291 4.120 -0.000 0.000 0.246 129 V C 1.652 177.831 176.094 0.142 0.000 1.049 129 V CA 1.204 63.495 62.300 -0.014 0.000 1.024 129 V CB -1.921 29.880 31.823 -0.037 0.000 0.648 129 V HN 1.235 nan 8.190 nan 0.000 0.447 130 G N 0.565 109.400 108.800 0.058 0.000 2.795 130 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.664 130 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.664 130 G C -1.809 173.030 174.900 -0.103 0.000 1.381 130 G CA -0.072 45.031 45.100 0.005 0.000 0.853 130 G HN 0.335 nan 8.290 nan 0.000 0.545 131 P HA 0.282 nan 4.420 nan 0.000 0.263 131 P C -0.030 176.976 177.300 -0.489 0.000 1.448 131 P CA 0.431 63.284 63.100 -0.412 0.000 0.983 131 P CB -0.005 31.403 31.700 -0.487 0.000 1.481 132 Y N -1.619 118.645 120.300 -0.060 0.000 2.481 132 Y HA 0.127 4.676 4.550 -0.000 0.000 0.247 132 Y C 2.167 178.022 175.900 -0.075 0.000 1.151 132 Y CA -0.176 57.844 58.100 -0.134 0.000 1.238 132 Y CB -0.241 38.021 38.460 -0.330 0.000 1.179 132 Y HN -0.270 nan 8.280 nan 0.000 0.524 133 V N -1.201 118.787 119.914 0.123 0.000 2.453 133 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 133 V C 2.096 178.247 176.094 0.096 0.000 1.048 133 V CA 1.532 63.916 62.300 0.141 0.000 1.049 133 V CB -0.658 31.305 31.823 0.234 0.000 0.672 133 V HN 0.216 nan 8.190 nan 0.000 0.457 134 V N 1.260 121.227 119.914 0.089 0.000 2.287 134 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 134 V C 2.811 178.949 176.094 0.074 0.000 1.053 134 V CA 2.663 65.010 62.300 0.077 0.000 1.027 134 V CB -1.376 30.488 31.823 0.067 0.000 0.646 134 V HN 0.814 nan 8.190 nan 0.000 0.447 135 T N -2.086 112.531 114.554 0.105 0.000 2.962 135 T HA -0.150 4.200 4.350 -0.000 0.000 0.270 135 T C 1.685 176.400 174.700 0.026 0.000 1.088 135 T CA 1.233 63.393 62.100 0.099 0.000 1.127 135 T CB -0.223 68.774 68.868 0.215 0.000 0.883 135 T HN 0.496 nan 8.240 nan 0.000 0.493 136 K N 0.898 121.273 120.400 -0.043 0.000 2.166 136 K HA 0.390 4.710 4.320 -0.000 0.000 0.201 136 K C 2.568 179.147 176.600 -0.036 0.000 1.052 136 K CA 0.814 56.995 56.287 -0.177 0.000 0.969 136 K CB -0.049 32.100 32.500 -0.586 0.000 0.761 136 K HN 0.391 nan 8.250 nan 0.000 0.459 137 A N 1.821 124.668 122.820 0.044 0.000 2.147 137 A HA 0.105 4.425 4.320 -0.000 0.000 0.211 137 A C 1.172 178.798 177.584 0.069 0.000 1.160 137 A CA -0.158 51.937 52.037 0.096 0.000 0.781 137 A CB -0.369 18.712 19.000 0.135 0.000 0.842 137 A HN 0.293 nan 8.150 nan 0.000 0.475 138 M N -1.621 118.012 119.600 0.055 0.000 2.248 138 M HA 0.507 4.987 4.480 -0.000 0.000 0.337 138 M C 0.989 177.318 176.300 0.048 0.000 1.121 138 M CA 0.373 55.703 55.300 0.049 0.000 1.155 138 M CB 0.517 33.145 32.600 0.046 0.000 1.514 138 M HN 0.054 nan 8.290 nan 0.000 0.452 139 A N 2.282 125.130 122.820 0.047 0.000 1.986 139 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 139 A C 2.135 179.751 177.584 0.053 0.000 1.171 139 A CA 2.265 54.331 52.037 0.048 0.000 0.640 139 A CB -1.068 17.957 19.000 0.043 0.000 0.811 139 A HN 1.032 nan 8.150 nan 0.000 0.451 140 S N -0.771 114.962 115.700 0.054 0.000 2.631 140 S HA 0.263 4.733 4.470 -0.000 0.000 0.217 140 S C 1.713 176.346 174.600 0.056 0.000 0.958 140 S CA 0.704 58.941 58.200 0.063 0.000 0.920 140 S CB -0.531 62.710 63.200 0.069 0.000 0.776 140 S HN 0.652 nan 8.310 nan 0.000 0.517 141 G N 2.293 111.121 108.800 0.046 0.000 2.556 141 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 141 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 141 G C 1.334 176.258 174.900 0.041 0.000 1.156 141 G CA 1.325 46.447 45.100 0.036 0.000 0.766 141 G HN 0.490 nan 8.290 nan 0.000 0.583 142 V N 1.720 121.663 119.914 0.049 0.000 2.332 142 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 142 V C 3.278 179.414 176.094 0.069 0.000 1.055 142 V CA 2.589 64.925 62.300 0.060 0.000 1.038 142 V CB -0.578 31.281 31.823 0.060 0.000 0.651 142 V HN 0.656 nan 8.190 nan 0.000 0.450 143 S N 0.705 116.443 115.700 0.063 0.000 2.377 143 S HA -0.037 4.433 4.470 -0.000 0.000 0.223 143 S C 2.135 176.771 174.600 0.060 0.000 1.030 143 S CA 1.061 59.295 58.200 0.057 0.000 0.970 143 S CB -0.494 62.739 63.200 0.055 0.000 0.830 143 S HN 0.546 nan 8.310 nan 0.000 0.473 144 A N 0.945 123.796 122.820 0.052 0.000 1.902 144 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 144 A C 2.355 179.955 177.584 0.027 0.000 1.181 144 A CA 1.555 53.612 52.037 0.033 0.000 0.623 144 A CB -1.488 17.524 19.000 0.021 0.000 0.818 144 A HN 0.701 nan 8.150 nan 0.000 0.443 145 C N -1.178 118.147 119.300 0.042 0.000 2.472 145 C HA 0.177 4.637 4.460 -0.000 0.000 0.278 145 C C 2.220 177.295 174.990 0.142 0.000 1.447 145 C CA 0.592 59.638 59.018 0.046 0.000 1.773 145 C CB -1.297 26.464 27.740 0.034 0.000 1.793 145 C HN 0.524 nan 8.230 nan 0.000 0.544 146 L N 0.407 121.743 121.223 0.188 0.000 2.433 146 L HA 0.277 4.617 4.340 -0.000 0.000 0.200 146 L C 2.638 179.692 176.870 0.306 0.000 1.059 146 L CA 1.570 56.616 54.840 0.343 0.000 0.835 146 L CB -1.261 40.948 42.059 0.250 0.000 1.076 146 L HN 0.137 nan 8.230 nan 0.000 0.481 147 A N -0.805 122.110 122.820 0.158 0.000 1.940 147 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 147 A C 2.282 179.941 177.584 0.124 0.000 1.176 147 A CA 2.515 54.629 52.037 0.128 0.000 0.631 147 A CB -0.988 18.056 19.000 0.075 0.000 0.814 147 A HN 0.433 nan 8.150 nan 0.000 0.446 148 T N 0.294 114.893 114.554 0.075 0.000 2.698 148 T HA -0.057 4.293 4.350 -0.000 0.000 0.260 148 T C -0.025 174.682 174.700 0.012 0.000 1.044 148 T CA 1.543 63.656 62.100 0.021 0.000 1.149 148 T CB -1.088 67.743 68.868 -0.061 0.000 0.864 148 T HN 0.511 nan 8.240 nan 0.000 0.419 149 P HA -0.032 nan 4.420 nan 0.000 0.218 149 P C 0.860 178.065 177.300 -0.159 0.000 1.149 149 P CA 1.145 64.186 63.100 -0.099 0.000 0.817 149 P CB -0.292 31.346 31.700 -0.103 0.000 0.785 150 F N 0.332 120.316 119.950 0.058 0.000 2.804 150 F HA 0.133 4.660 4.527 -0.000 0.000 0.303 150 F C 0.861 176.677 175.800 0.026 0.000 1.154 150 F CA 0.062 58.093 58.000 0.051 0.000 1.401 150 F CB -0.318 38.662 39.000 -0.032 0.000 1.106 150 F HN -0.216 nan 8.300 nan 0.000 0.568 151 K N 0.471 120.939 120.400 0.115 0.000 3.148 151 K HA -0.200 4.120 4.320 -0.000 0.000 0.267 151 K C -0.405 176.225 176.600 0.051 0.000 0.996 151 K CA 0.346 56.658 56.287 0.040 0.000 0.737 151 K CB -2.264 30.184 32.500 -0.088 0.000 1.308 151 K HN 0.201 nan 8.250 nan 0.000 0.470 152 I N 1.044 121.709 120.570 0.159 0.000 2.496 152 I HA 0.043 4.213 4.170 -0.000 0.000 0.285 152 I C 1.935 178.224 176.117 0.286 0.000 1.080 152 I CA 0.262 61.669 61.300 0.178 0.000 1.404 152 I CB 0.409 38.502 38.000 0.157 0.000 1.403 152 I HN 0.263 nan 8.210 nan 0.000 0.539 153 H N 3.113 122.216 119.070 0.055 0.000 2.874 153 H HA 0.176 4.732 4.556 -0.000 0.000 0.264 153 H C 1.360 176.703 175.328 0.025 0.000 1.007 153 H CA 0.034 56.101 56.048 0.032 0.000 1.207 153 H CB 1.426 31.202 29.762 0.024 0.000 1.487 153 H HN 0.771 nan 8.280 nan 0.000 0.505 154 G N 0.830 109.718 108.800 0.146 0.000 2.735 154 G HA2 0.122 4.082 3.960 -0.000 0.000 0.192 154 G HA3 0.122 4.082 3.960 -0.000 0.000 0.192 154 G C -0.139 174.776 174.900 0.026 0.000 1.547 154 G CA -0.313 44.829 45.100 0.069 0.000 1.080 154 G HN 0.086 nan 8.290 nan 0.000 0.569 155 V N 0.891 120.790 119.914 -0.025 0.000 2.763 155 V HA 0.353 4.473 4.120 -0.000 0.000 0.306 155 V C -0.384 175.611 176.094 -0.166 0.000 1.059 155 V CA 0.274 62.511 62.300 -0.105 0.000 1.138 155 V CB 1.092 32.794 31.823 -0.200 0.000 0.940 155 V HN 0.803 nan 8.190 nan 0.000 0.489 156 N N 5.259 123.843 118.700 -0.193 0.000 2.599 156 N HA 0.489 5.229 4.740 -0.000 0.000 0.283 156 N C -1.293 174.201 175.510 -0.026 0.000 1.160 156 N CA -0.343 52.629 53.050 -0.131 0.000 0.869 156 N CB 1.094 39.581 38.487 -0.001 0.000 1.448 156 N HN 0.768 nan 8.380 nan 0.000 0.535 157 Y N -1.143 119.176 120.300 0.031 0.000 2.810 157 Y HA 0.599 5.149 4.550 -0.000 0.000 0.355 157 Y C -1.437 174.479 175.900 0.026 0.000 1.211 157 Y CA -1.217 56.898 58.100 0.025 0.000 1.112 157 Y CB 0.272 38.743 38.460 0.018 0.000 1.383 157 Y HN 0.127 nan 8.280 nan 0.000 0.458 158 S N 1.428 117.325 115.700 0.329 0.000 2.578 158 S HA 0.729 5.199 4.470 -0.000 0.000 0.301 158 S C -0.877 173.853 174.600 0.217 0.000 1.091 158 S CA -0.781 57.548 58.200 0.215 0.000 1.032 158 S CB 1.388 64.663 63.200 0.124 0.000 1.064 158 S HN 0.522 nan 8.310 nan 0.000 0.508 159 I N 1.901 122.573 120.570 0.170 0.000 2.441 159 I HA 0.402 4.572 4.170 -0.000 0.000 0.295 159 I C -0.408 175.765 176.117 0.094 0.000 0.994 159 I CA -0.288 61.086 61.300 0.124 0.000 1.144 159 I CB 1.948 40.037 38.000 0.148 0.000 1.314 159 I HN 0.467 nan 8.210 nan 0.000 0.445 160 S N 3.214 118.952 115.700 0.064 0.000 2.561 160 S HA 0.488 4.958 4.470 -0.000 0.000 0.303 160 S C -0.266 174.369 174.600 0.057 0.000 1.110 160 S CA -0.635 57.601 58.200 0.060 0.000 1.034 160 S CB 1.562 64.789 63.200 0.045 0.000 1.010 160 S HN 0.712 nan 8.310 nan 0.000 0.482 161 S N 0.928 116.675 115.700 0.078 0.000 2.607 161 S HA 0.649 5.119 4.470 -0.000 0.000 0.196 161 S C 0.452 175.072 174.600 0.032 0.000 0.911 161 S CA -0.140 58.109 58.200 0.083 0.000 1.133 161 S CB -0.235 63.103 63.200 0.231 0.000 1.612 161 S HN 1.599 nan 8.310 nan 0.000 0.437 162 A N 0.683 123.507 122.820 0.007 0.000 5.483 162 A HA -0.327 3.993 4.320 -0.000 0.000 0.309 162 A C 1.640 179.173 177.584 -0.084 0.000 1.898 162 A CA 1.158 53.165 52.037 -0.050 0.000 0.716 162 A CB -2.093 16.846 19.000 -0.102 0.000 1.309 162 A HN 1.444 nan 8.150 nan 0.000 0.380 163 C N 0.342 119.543 119.300 -0.166 0.000 2.485 163 C HA 0.367 4.827 4.460 -0.000 0.000 0.283 163 C C 2.650 177.610 174.990 -0.049 0.000 1.478 163 C CA 1.077 60.035 59.018 -0.099 0.000 1.741 163 C CB -1.891 25.803 27.740 -0.076 0.000 1.675 163 C HN 1.262 nan 8.230 nan 0.000 0.573 164 A N -0.348 122.430 122.820 -0.070 0.000 2.303 164 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 164 A C 1.903 179.460 177.584 -0.046 0.000 1.205 164 A CA 0.813 52.789 52.037 -0.103 0.000 0.875 164 A CB -0.545 18.360 19.000 -0.160 0.000 0.910 164 A HN 0.432 nan 8.150 nan 0.000 0.501 165 T N 1.565 116.141 114.554 0.037 0.000 2.527 165 T HA -0.284 4.066 4.350 -0.000 0.000 0.258 165 T C 2.256 176.993 174.700 0.062 0.000 1.175 165 T CA 2.843 64.991 62.100 0.081 0.000 1.168 165 T CB -0.584 68.314 68.868 0.050 0.000 0.860 165 T HN 0.820 nan 8.240 nan 0.000 0.429 166 S N 1.523 117.231 115.700 0.013 0.000 2.474 166 S HA 0.148 4.618 4.470 -0.000 0.000 0.235 166 S C 2.239 176.818 174.600 -0.036 0.000 0.997 166 S CA 0.838 59.033 58.200 -0.008 0.000 0.949 166 S CB -0.437 62.746 63.200 -0.028 0.000 0.766 166 S HN 0.579 nan 8.310 nan 0.000 0.517 167 A N 1.718 124.502 122.820 -0.061 0.000 1.898 167 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 167 A C 1.928 179.476 177.584 -0.060 0.000 1.183 167 A CA 1.226 53.206 52.037 -0.094 0.000 0.622 167 A CB -1.016 17.897 19.000 -0.145 0.000 0.824 167 A HN 0.672 nan 8.150 nan 0.000 0.444 168 H N -1.636 117.467 119.070 0.054 0.000 2.423 168 H HA -0.125 4.431 4.556 -0.000 0.000 0.297 168 H C 2.175 177.496 175.328 -0.011 0.000 1.075 168 H CA 1.168 57.270 56.048 0.091 0.000 1.342 168 H CB -0.125 29.708 29.762 0.117 0.000 1.395 168 H HN 0.538 nan 8.280 nan 0.000 0.530 169 C N 0.227 119.586 119.300 0.098 0.000 2.432 169 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 169 C C 2.680 177.632 174.990 -0.063 0.000 1.249 169 C CA 0.820 59.860 59.018 0.036 0.000 1.725 169 C CB -0.794 26.961 27.740 0.026 0.000 2.028 169 C HN 0.528 nan 8.230 nan 0.000 0.477 170 I N 1.038 121.540 120.570 -0.113 0.000 2.226 170 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 170 I C 2.714 178.634 176.117 -0.328 0.000 1.100 170 I CA 1.810 63.001 61.300 -0.181 0.000 1.374 170 I CB -0.919 36.983 38.000 -0.163 0.000 1.057 170 I HN 0.455 nan 8.210 nan 0.000 0.413 171 G N 0.526 108.985 108.800 -0.569 0.000 2.418 171 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 171 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 171 G C 1.499 175.957 174.900 -0.736 0.000 1.158 171 G CA 0.716 44.970 45.100 -1.411 0.000 0.771 171 G HN 0.340 nan 8.290 nan 0.000 0.545 172 N N 1.052 119.582 118.700 -0.282 0.000 2.244 172 N HA -0.056 4.684 4.740 -0.000 0.000 0.183 172 N C 2.540 178.015 175.510 -0.058 0.000 1.016 172 N CA 1.078 54.106 53.050 -0.036 0.000 0.866 172 N CB -0.106 38.440 38.487 0.098 0.000 0.980 172 N HN 0.254 nan 8.380 nan 0.000 0.430 173 A N 0.714 123.464 122.820 -0.116 0.000 1.902 173 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 173 A C 2.470 179.985 177.584 -0.115 0.000 1.181 173 A CA 1.243 53.210 52.037 -0.117 0.000 0.623 173 A CB -0.786 18.130 19.000 -0.140 0.000 0.818 173 A HN 0.149 nan 8.150 nan 0.000 0.443 174 V N 0.171 119.996 119.914 -0.149 0.000 2.332 174 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 174 V C 2.394 178.459 176.094 -0.049 0.000 1.055 174 V CA 2.340 64.575 62.300 -0.109 0.000 1.038 174 V CB -0.903 30.841 31.823 -0.132 0.000 0.651 174 V HN 0.639 nan 8.190 nan 0.000 0.450 175 E N -0.541 119.643 120.200 -0.027 0.000 2.077 175 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 175 E C 2.418 179.028 176.600 0.017 0.000 0.989 175 E CA 1.124 57.543 56.400 0.032 0.000 0.800 175 E CB -0.155 29.593 29.700 0.080 0.000 0.746 175 E HN 0.544 nan 8.360 nan 0.000 0.452 176 Q N 0.204 120.004 119.800 -0.001 0.000 2.096 176 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 176 Q C 2.249 178.235 176.000 -0.023 0.000 0.982 176 Q CA 1.083 56.882 55.803 -0.006 0.000 0.850 176 Q CB -0.209 28.512 28.738 -0.028 0.000 0.901 176 Q HN 0.285 nan 8.270 nan 0.000 0.422 177 I N 1.034 121.579 120.570 -0.042 0.000 2.202 177 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 177 I C 2.380 178.484 176.117 -0.022 0.000 1.091 177 I CA 1.279 62.551 61.300 -0.048 0.000 1.368 177 I CB -0.502 37.458 38.000 -0.067 0.000 1.058 177 I HN 0.199 nan 8.210 nan 0.000 0.410 178 Q N -0.178 119.617 119.800 -0.008 0.000 2.170 178 Q HA -0.141 4.199 4.340 -0.000 0.000 0.203 178 Q C 2.131 178.138 176.000 0.012 0.000 0.976 178 Q CA 1.230 57.038 55.803 0.008 0.000 0.858 178 Q CB -0.257 28.496 28.738 0.025 0.000 0.907 178 Q HN 0.471 nan 8.270 nan 0.000 0.433 179 L N -0.506 120.725 121.223 0.013 0.000 2.610 179 L HA 0.076 4.416 4.340 -0.000 0.000 0.232 179 L C 1.102 177.977 176.870 0.009 0.000 1.149 179 L CA 0.358 55.207 54.840 0.015 0.000 0.872 179 L CB -0.220 41.852 42.059 0.022 0.000 0.992 179 L HN 0.412 nan 8.230 nan 0.000 0.447 180 G N 0.420 109.220 108.800 0.000 0.000 2.179 180 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.257 180 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.257 180 G C 0.939 175.836 174.900 -0.005 0.000 1.010 180 G CA 0.623 45.721 45.100 -0.004 0.000 0.736 180 G HN 0.411 nan 8.290 nan 0.000 0.513 181 K N -1.054 119.342 120.400 -0.006 0.000 2.314 181 K HA 0.112 4.432 4.320 -0.000 0.000 0.198 181 K C 0.938 177.528 176.600 -0.017 0.000 1.045 181 K CA 0.733 57.019 56.287 -0.002 0.000 0.988 181 K CB 0.132 32.638 32.500 0.010 0.000 0.783 181 K HN 0.442 nan 8.250 nan 0.000 0.484 182 Q N -0.260 119.516 119.800 -0.040 0.000 2.379 182 Q HA 0.144 4.484 4.340 -0.000 0.000 0.278 182 Q C -0.588 175.342 176.000 -0.117 0.000 1.068 182 Q CA -0.354 55.406 55.803 -0.071 0.000 0.816 182 Q CB 2.025 30.716 28.738 -0.078 0.000 1.387 182 Q HN -0.046 nan 8.270 nan 0.000 0.413 183 D N 0.361 120.651 120.400 -0.184 0.000 2.277 183 D HA 0.252 4.892 4.640 -0.000 0.000 0.209 183 D C 0.300 176.372 176.300 -0.380 0.000 0.970 183 D CA 0.872 54.676 54.000 -0.327 0.000 0.874 183 D CB 1.251 41.708 40.800 -0.571 0.000 0.982 183 D HN 0.369 nan 8.370 nan 0.000 0.504 184 I N 0.634 121.010 120.570 -0.322 0.000 2.619 184 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 184 I C -1.198 174.736 176.117 -0.305 0.000 1.100 184 I CA -0.760 60.331 61.300 -0.348 0.000 1.043 184 I CB 3.374 41.139 38.000 -0.391 0.000 1.239 184 I HN -0.411 nan 8.210 nan 0.000 0.420 185 V N 5.911 125.608 119.914 -0.361 0.000 2.567 185 V HA 0.363 4.483 4.120 -0.000 0.000 0.298 185 V C -0.738 175.154 176.094 -0.338 0.000 1.047 185 V CA -0.570 61.573 62.300 -0.262 0.000 0.880 185 V CB 1.688 33.407 31.823 -0.173 0.000 1.009 185 V HN 0.380 nan 8.190 nan 0.000 0.429 186 F N 3.506 123.356 119.950 -0.167 0.000 2.472 186 F HA 0.658 5.185 4.527 0.000 0.000 0.364 186 F C 0.777 176.478 175.800 -0.165 0.000 1.090 186 F CA 0.096 57.980 58.000 -0.193 0.000 1.188 186 F CB 1.050 39.896 39.000 -0.257 0.000 1.105 186 F HN 0.570 nan 8.300 nan 0.000 0.536 187 A N 2.499 125.306 122.820 -0.022 0.000 2.386 187 A HA 0.935 5.255 4.320 -0.000 0.000 0.311 187 A C 0.003 177.561 177.584 -0.044 0.000 1.068 187 A CA 0.113 52.123 52.037 -0.047 0.000 0.743 187 A CB 1.468 20.414 19.000 -0.090 0.000 1.258 187 A HN 1.030 nan 8.150 nan 0.000 0.429 188 G N -0.246 108.534 108.800 -0.032 0.000 2.512 188 G HA2 0.738 4.698 3.960 -0.000 0.000 0.181 188 G HA3 0.738 4.698 3.960 -0.000 0.000 0.181 188 G C -0.082 174.813 174.900 -0.008 0.000 1.173 188 G CA 0.486 45.566 45.100 -0.034 0.000 0.988 188 G HN 2.423 nan 8.290 nan 0.000 0.485 189 G N -2.153 106.648 108.800 0.002 0.000 2.315 189 G HA2 0.773 4.733 3.960 -0.000 0.000 0.294 189 G HA3 0.773 4.733 3.960 -0.000 0.000 0.294 189 G C -0.497 174.433 174.900 0.049 0.000 1.300 189 G CA 0.739 45.855 45.100 0.028 0.000 0.843 189 G HN 2.130 nan 8.290 nan 0.000 0.527 190 G N -1.315 107.528 108.800 0.072 0.000 2.684 190 G HA2 0.709 4.669 3.960 -0.000 0.000 0.290 190 G HA3 0.709 4.669 3.960 -0.000 0.000 0.290 190 G C -1.927 173.042 174.900 0.116 0.000 1.425 190 G CA -0.233 44.941 45.100 0.122 0.000 0.822 190 G HN 0.749 nan 8.290 nan 0.000 0.482 191 E N -0.369 119.934 120.200 0.173 0.000 2.321 191 E HA 0.363 4.713 4.350 -0.000 0.000 0.281 191 E C -0.328 176.395 176.600 0.205 0.000 0.910 191 E CA -0.665 55.815 56.400 0.134 0.000 0.770 191 E CB 1.568 31.315 29.700 0.078 0.000 1.225 191 E HN 0.706 nan 8.360 nan 0.000 0.417 192 E N 2.909 123.190 120.200 0.135 0.000 2.345 192 E HA 0.456 4.806 4.350 -0.000 0.000 0.259 192 E C -0.761 175.908 176.600 0.114 0.000 1.117 192 E CA -0.872 55.607 56.400 0.132 0.000 0.913 192 E CB 1.224 30.954 29.700 0.050 0.000 1.057 192 E HN 0.242 nan 8.360 nan 0.000 0.432 193 L N 2.138 123.410 121.223 0.082 0.000 2.343 193 L HA 0.464 4.804 4.340 -0.000 0.000 0.278 193 L C -1.337 175.583 176.870 0.083 0.000 0.996 193 L CA -0.317 54.538 54.840 0.026 0.000 0.831 193 L CB 0.909 42.848 42.059 -0.200 0.000 1.232 193 L HN 0.942 nan 8.230 nan 0.000 0.413 194 C N 2.060 121.463 119.300 0.171 0.000 3.307 194 C HA 0.429 4.889 4.460 -0.000 0.000 0.333 194 C C 1.071 176.161 174.990 0.167 0.000 1.291 194 C CA -0.964 58.154 59.018 0.166 0.000 1.273 194 C CB 0.628 28.332 27.740 -0.061 0.000 1.580 194 C HN 1.052 nan 8.230 nan 0.000 0.481 195 W N 0.947 122.357 121.300 0.183 0.000 2.374 195 W HA 0.007 4.667 4.660 0.000 0.000 0.288 195 W C 1.047 177.632 176.519 0.110 0.000 1.218 195 W CA 1.857 59.275 57.345 0.121 0.000 1.245 195 W CB -1.084 28.408 29.460 0.053 0.000 1.126 195 W HN 0.878 nan 8.180 nan 0.000 0.545 196 E N 0.748 120.308 120.200 -1.066 0.000 2.097 196 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 196 E C 2.351 178.783 176.600 -0.280 0.000 1.000 196 E CA 2.737 58.541 56.400 -0.993 0.000 0.804 196 E CB -0.662 28.506 29.700 -0.887 0.000 0.740 196 E HN 0.359 nan 8.360 nan 0.000 0.454 197 M N -0.770 118.770 119.600 -0.101 0.000 2.429 197 M HA 0.108 4.588 4.480 -0.000 0.000 0.265 197 M C 2.101 178.558 176.300 0.261 0.000 1.120 197 M CA 1.131 56.482 55.300 0.086 0.000 1.173 197 M CB 0.105 32.788 32.600 0.138 0.000 1.343 197 M HN 0.170 nan 8.290 nan 0.000 0.464 198 A N 0.643 123.629 122.820 0.278 0.000 1.908 198 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 198 A C 2.349 180.124 177.584 0.318 0.000 1.181 198 A CA 1.892 54.138 52.037 0.349 0.000 0.627 198 A CB -1.753 17.422 19.000 0.292 0.000 0.818 198 A HN 0.868 nan 8.150 nan 0.000 0.445 199 C N -0.330 119.135 119.300 0.275 0.000 2.411 199 C HA -0.096 4.364 4.460 -0.000 0.000 0.279 199 C C 2.193 177.284 174.990 0.168 0.000 1.288 199 C CA 1.115 60.276 59.018 0.237 0.000 1.764 199 C CB -1.618 26.308 27.740 0.311 0.000 1.974 199 C HN 0.666 nan 8.230 nan 0.000 0.498 200 E N 0.352 120.624 120.200 0.120 0.000 2.153 200 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 200 E C 1.744 178.320 176.600 -0.041 0.000 0.988 200 E CA 1.353 57.748 56.400 -0.007 0.000 0.811 200 E CB -0.343 29.284 29.700 -0.121 0.000 0.746 200 E HN 0.768 nan 8.360 nan 0.000 0.466 201 F N 1.235 121.259 119.950 0.124 0.000 2.259 201 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 201 F C 2.197 178.034 175.800 0.061 0.000 1.088 201 F CA 0.960 59.042 58.000 0.136 0.000 1.358 201 F CB -0.035 39.044 39.000 0.133 0.000 1.040 201 F HN -0.044 nan 8.300 nan 0.000 0.505 202 D N 0.211 120.738 120.400 0.211 0.000 2.144 202 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 202 D C 2.226 178.582 176.300 0.093 0.000 0.978 202 D CA 1.130 55.198 54.000 0.113 0.000 0.833 202 D CB -0.150 40.711 40.800 0.101 0.000 0.961 202 D HN 0.166 nan 8.370 nan 0.000 0.470 203 A N -0.142 122.733 122.820 0.091 0.000 2.178 203 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 203 A C 2.211 179.829 177.584 0.056 0.000 1.157 203 A CA 0.855 52.929 52.037 0.062 0.000 0.689 203 A CB -0.446 18.584 19.000 0.050 0.000 0.787 203 A HN 0.283 nan 8.150 nan 0.000 0.465 204 M N -2.216 117.433 119.600 0.081 0.000 2.501 204 M HA 0.163 4.643 4.480 -0.000 0.000 0.261 204 M C 1.386 177.746 176.300 0.101 0.000 1.129 204 M CA 0.904 56.258 55.300 0.089 0.000 1.126 204 M CB 0.384 33.073 32.600 0.148 0.000 1.359 204 M HN 0.622 nan 8.290 nan 0.000 0.471 205 G N 0.330 109.189 108.800 0.099 0.000 2.132 205 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.228 205 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.228 205 G C 0.673 175.637 174.900 0.106 0.000 1.000 205 G CA 0.313 45.462 45.100 0.082 0.000 0.693 205 G HN 0.535 nan 8.290 nan 0.000 0.515 206 A N -0.796 122.113 122.820 0.147 0.000 2.132 206 A HA 0.672 4.992 4.320 -0.000 0.000 0.213 206 A C 1.236 178.749 177.584 -0.119 0.000 1.154 206 A CA 0.694 52.844 52.037 0.188 0.000 0.753 206 A CB 0.124 19.426 19.000 0.504 0.000 0.826 206 A HN 0.636 nan 8.150 nan 0.000 0.469 207 L N -0.076 121.019 121.223 -0.213 0.000 2.360 207 L HA 0.353 4.693 4.340 -0.000 0.000 0.271 207 L C 0.701 177.498 176.870 -0.122 0.000 1.057 207 L CA -0.576 54.051 54.840 -0.354 0.000 0.803 207 L CB 1.548 43.430 42.059 -0.294 0.000 1.207 207 L HN 0.150 nan 8.230 nan 0.000 0.445 208 S N 0.049 115.699 115.700 -0.082 0.000 2.549 208 S HA 0.169 4.639 4.470 -0.000 0.000 0.279 208 S C 0.714 175.326 174.600 0.021 0.000 1.321 208 S CA 0.122 58.346 58.200 0.040 0.000 1.054 208 S CB 0.428 63.686 63.200 0.098 0.000 0.899 208 S HN 0.820 nan 8.310 nan 0.000 0.497 209 T N 1.400 115.969 114.554 0.024 0.000 3.041 209 T HA 0.333 4.683 4.350 -0.000 0.000 0.276 209 T C 0.810 175.459 174.700 -0.086 0.000 0.948 209 T CA -0.459 61.606 62.100 -0.059 0.000 0.885 209 T CB -0.068 68.753 68.868 -0.078 0.000 1.175 209 T HN 0.604 nan 8.240 nan 0.000 0.529 210 K N 0.255 120.610 120.400 -0.075 0.000 2.393 210 K HA 0.226 4.546 4.320 -0.000 0.000 0.193 210 K C -0.236 176.085 176.600 -0.464 0.000 1.026 210 K CA 0.339 56.453 56.287 -0.288 0.000 1.064 210 K CB 0.169 32.419 32.500 -0.416 0.000 0.833 210 K HN 0.443 nan 8.250 nan 0.000 0.521 211 Y N 0.192 120.485 120.300 -0.011 0.000 2.720 211 Y HA 0.224 4.774 4.550 -0.000 0.000 0.268 211 Y C 0.756 176.671 175.900 0.026 0.000 1.142 211 Y CA -0.631 57.474 58.100 0.008 0.000 1.193 211 Y CB -0.306 38.167 38.460 0.021 0.000 1.176 211 Y HN 0.072 nan 8.280 nan 0.000 0.542 212 N N 0.564 119.320 118.700 0.094 0.000 2.205 212 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 212 N C 0.943 176.550 175.510 0.160 0.000 1.015 212 N CA 1.385 54.521 53.050 0.144 0.000 0.862 212 N CB 0.077 38.609 38.487 0.076 0.000 0.986 212 N HN 0.355 nan 8.380 nan 0.000 0.429 213 D N -0.128 120.318 120.400 0.077 0.000 2.269 213 D HA -0.055 4.585 4.640 -0.000 0.000 0.208 213 D C 0.630 176.966 176.300 0.059 0.000 0.963 213 D CA 1.062 55.081 54.000 0.032 0.000 0.864 213 D CB 0.011 40.810 40.800 -0.002 0.000 0.936 213 D HN 0.347 nan 8.370 nan 0.000 0.505 214 T N -1.809 112.815 114.554 0.117 0.000 3.410 214 T HA 0.332 4.682 4.350 -0.000 0.000 0.328 214 T C -2.285 172.503 174.700 0.146 0.000 1.567 214 T CA -1.702 60.472 62.100 0.123 0.000 1.626 214 T CB 1.807 70.758 68.868 0.138 0.000 0.939 214 T HN -0.277 nan 8.240 nan 0.000 0.656 215 P HA -0.193 nan 4.420 nan 0.000 0.217 215 P C 1.378 178.739 177.300 0.102 0.000 1.158 215 P CA 1.397 64.589 63.100 0.152 0.000 0.887 215 P CB 0.125 31.935 31.700 0.184 0.000 0.792 216 E N -0.846 119.401 120.200 0.079 0.000 2.472 216 E HA -0.128 4.222 4.350 -0.000 0.000 0.200 216 E C 1.212 177.813 176.600 0.002 0.000 1.046 216 E CA 0.712 57.137 56.400 0.043 0.000 0.871 216 E CB -0.221 29.502 29.700 0.038 0.000 0.806 216 E HN 0.406 nan 8.360 nan 0.000 0.533 217 K N -0.526 119.867 120.400 -0.012 0.000 2.374 217 K HA 0.231 4.551 4.320 -0.000 0.000 0.202 217 K C 1.575 177.975 176.600 -0.333 0.000 1.040 217 K CA 0.152 56.369 56.287 -0.116 0.000 1.085 217 K CB 0.902 33.365 32.500 -0.060 0.000 0.873 217 K HN -0.036 nan 8.250 nan 0.000 0.539 218 A N 1.241 123.953 122.820 -0.180 0.000 1.898 218 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 218 A C 1.378 178.838 177.584 -0.207 0.000 1.181 218 A CA 1.153 53.070 52.037 -0.201 0.000 0.620 218 A CB -0.044 18.992 19.000 0.061 0.000 0.819 218 A HN 0.150 nan 8.150 nan 0.000 0.442 219 S N 0.691 116.328 115.700 -0.105 0.000 2.411 219 S HA 0.429 4.899 4.470 -0.000 0.000 0.294 219 S C 0.188 174.722 174.600 -0.110 0.000 1.115 219 S CA -0.698 57.465 58.200 -0.062 0.000 1.071 219 S CB -0.132 63.066 63.200 -0.003 0.000 0.967 219 S HN 0.483 nan 8.310 nan 0.000 0.488 220 R N 2.907 123.335 120.500 -0.121 0.000 2.655 220 R HA 0.206 4.546 4.340 -0.000 0.000 0.261 220 R C -0.807 175.437 176.300 -0.093 0.000 1.624 220 R CA -0.639 55.395 56.100 -0.109 0.000 1.655 220 R CB -0.802 29.410 30.300 -0.147 0.000 1.356 220 R HN 0.415 nan 8.270 nan 0.000 0.684 221 T N 2.327 116.785 114.554 -0.160 0.000 2.866 221 T HA -0.064 4.286 4.350 -0.000 0.000 0.293 221 T C -0.052 174.468 174.700 -0.299 0.000 1.005 221 T CA 0.893 62.775 62.100 -0.362 0.000 1.162 221 T CB -0.140 68.370 68.868 -0.597 0.000 0.968 221 T HN 0.557 nan 8.240 nan 0.000 0.530 222 Y N -1.159 119.149 120.300 0.013 0.000 4.936 222 Y HA -0.205 4.345 4.550 -0.000 0.000 0.260 222 Y C 0.686 176.593 175.900 0.013 0.000 0.928 222 Y CA 0.387 58.492 58.100 0.009 0.000 1.869 222 Y CB -2.304 36.159 38.460 0.004 0.000 1.344 222 Y HN 0.766 nan 8.280 nan 0.000 0.521 223 D N 0.372 120.843 120.400 0.119 0.000 2.345 223 D HA 0.584 5.224 4.640 -0.000 0.000 0.247 223 D C 1.266 177.610 176.300 0.073 0.000 1.108 223 D CA 0.740 54.802 54.000 0.103 0.000 0.894 223 D CB 1.316 42.168 40.800 0.086 0.000 1.203 223 D HN 0.244 nan 8.370 nan 0.000 0.430 224 A N 2.913 125.752 122.820 0.032 0.000 2.125 224 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 224 A C 1.014 178.422 177.584 -0.293 0.000 1.156 224 A CA 1.317 53.269 52.037 -0.141 0.000 0.671 224 A CB -0.549 18.308 19.000 -0.238 0.000 0.794 224 A HN 0.754 nan 8.150 nan 0.000 0.459 225 H N -0.458 118.668 119.070 0.094 0.000 2.487 225 H HA 0.190 4.746 4.556 -0.000 0.000 0.290 225 H C 0.491 175.926 175.328 0.178 0.000 1.081 225 H CA -0.313 55.821 56.048 0.142 0.000 1.116 225 H CB 0.047 29.925 29.762 0.192 0.000 1.560 225 H HN 0.593 nan 8.280 nan 0.000 0.548 226 R N 1.450 122.047 120.500 0.161 0.000 2.643 226 R HA 0.050 4.390 4.340 -0.000 0.000 0.270 226 R C -0.488 175.911 176.300 0.165 0.000 1.061 226 R CA 0.269 56.443 56.100 0.123 0.000 1.107 226 R CB 0.488 30.821 30.300 0.056 0.000 0.999 226 R HN 0.230 nan 8.270 nan 0.000 0.460 227 D N 0.563 121.074 120.400 0.184 0.000 2.865 227 D HA 0.229 4.869 4.640 -0.000 0.000 0.347 227 D C -0.004 176.371 176.300 0.125 0.000 1.498 227 D CA 0.011 54.110 54.000 0.165 0.000 0.787 227 D CB 0.373 41.294 40.800 0.202 0.000 1.190 227 D HN 0.925 nan 8.370 nan 0.000 0.445 228 G N 0.426 109.300 108.800 0.123 0.000 2.459 228 G HA2 0.205 4.165 3.960 -0.000 0.000 0.685 228 G HA3 0.205 4.165 3.960 -0.000 0.000 0.685 228 G C -0.582 174.398 174.900 0.133 0.000 1.303 228 G CA -0.692 44.478 45.100 0.116 0.000 0.907 228 G HN 0.349 nan 8.290 nan 0.000 0.632 229 F N -0.585 119.416 119.950 0.085 0.000 2.370 229 F HA 0.819 5.346 4.527 0.000 0.000 0.319 229 F C 0.270 176.106 175.800 0.061 0.000 1.129 229 F CA -1.438 56.600 58.000 0.064 0.000 1.109 229 F CB 1.318 40.373 39.000 0.093 0.000 1.262 229 F HN 0.402 nan 8.300 nan 0.000 0.534 230 V N 4.134 124.214 119.914 0.277 0.000 2.347 230 V HA 0.255 4.375 4.120 -0.000 0.000 0.280 230 V C 0.224 176.508 176.094 0.316 0.000 1.021 230 V CA -0.833 61.567 62.300 0.166 0.000 0.847 230 V CB 1.058 32.970 31.823 0.149 0.000 0.990 230 V HN 0.839 nan 8.190 nan 0.000 0.444 231 I N 4.726 125.420 120.570 0.207 0.000 2.692 231 I HA 0.504 4.674 4.170 -0.000 0.000 0.284 231 I C 0.507 176.754 176.117 0.216 0.000 1.159 231 I CA 0.586 62.040 61.300 0.258 0.000 1.423 231 I CB 0.828 38.916 38.000 0.147 0.000 1.380 231 I HN 0.803 nan 8.210 nan 0.000 0.580 232 A N 4.788 127.690 122.820 0.137 0.000 2.593 232 A HA 0.895 5.215 4.320 -0.000 0.000 0.290 232 A C -0.650 176.929 177.584 -0.008 0.000 1.126 232 A CA -0.121 51.944 52.037 0.046 0.000 0.695 232 A CB 1.343 20.375 19.000 0.053 0.000 1.290 232 A HN 0.832 nan 8.150 nan 0.000 0.414 233 G N -1.831 106.915 108.800 -0.090 0.000 2.658 233 G HA2 0.923 4.883 3.960 -0.000 0.000 0.292 233 G HA3 0.923 4.883 3.960 -0.000 0.000 0.292 233 G C -0.137 174.648 174.900 -0.192 0.000 1.320 233 G CA -0.200 44.860 45.100 -0.067 0.000 0.933 233 G HN 2.246 nan 8.290 nan 0.000 0.476 234 G N -2.047 106.640 108.800 -0.188 0.000 2.352 234 G HA2 0.638 4.598 3.960 -0.000 0.000 0.283 234 G HA3 0.638 4.598 3.960 -0.000 0.000 0.283 234 G C -0.441 174.438 174.900 -0.036 0.000 1.308 234 G CA 0.253 45.118 45.100 -0.392 0.000 0.892 234 G HN 1.899 nan 8.290 nan 0.000 0.504 235 G N -1.880 106.897 108.800 -0.038 0.000 2.684 235 G HA2 1.019 4.979 3.960 -0.000 0.000 0.290 235 G HA3 1.019 4.979 3.960 -0.000 0.000 0.290 235 G C -0.384 174.512 174.900 -0.007 0.000 1.425 235 G CA 0.251 45.388 45.100 0.062 0.000 0.822 235 G HN 2.050 nan 8.290 nan 0.000 0.482 236 G N -1.246 107.546 108.800 -0.013 0.000 2.703 236 G HA2 0.672 4.632 3.960 -0.000 0.000 0.294 236 G HA3 0.672 4.632 3.960 -0.000 0.000 0.294 236 G C -1.732 173.135 174.900 -0.055 0.000 1.451 236 G CA -0.596 44.469 45.100 -0.059 0.000 0.869 236 G HN 0.921 nan 8.290 nan 0.000 0.516 237 M N 0.774 120.331 119.600 -0.072 0.000 2.414 237 M HA 0.671 5.151 4.480 -0.000 0.000 0.287 237 M C -1.006 175.247 176.300 -0.077 0.000 1.181 237 M CA -0.695 54.567 55.300 -0.063 0.000 0.933 237 M CB 2.297 34.858 32.600 -0.064 0.000 1.732 237 M HN 1.242 nan 8.290 nan 0.000 0.486 238 V N 1.204 121.071 119.914 -0.079 0.000 3.040 238 V HA 0.910 5.030 4.120 -0.000 0.000 0.312 238 V C -1.260 174.759 176.094 -0.124 0.000 1.115 238 V CA -0.921 61.315 62.300 -0.107 0.000 0.998 238 V CB 1.955 33.697 31.823 -0.135 0.000 1.042 238 V HN 0.598 nan 8.190 nan 0.000 0.433 239 V N 3.140 122.959 119.914 -0.158 0.000 2.304 239 V HA 0.329 4.449 4.120 -0.000 0.000 0.269 239 V C 0.122 176.064 176.094 -0.252 0.000 1.036 239 V CA -0.378 61.740 62.300 -0.303 0.000 0.840 239 V CB 1.014 32.667 31.823 -0.283 0.000 1.036 239 V HN 0.718 nan 8.190 nan 0.000 0.466 240 V N 5.122 124.869 119.914 -0.279 0.000 2.408 240 V HA 0.383 4.503 4.120 -0.000 0.000 0.267 240 V C 0.190 176.146 176.094 -0.230 0.000 1.047 240 V CA -0.128 62.048 62.300 -0.208 0.000 0.937 240 V CB 1.107 32.820 31.823 -0.183 0.000 0.999 240 V HN 0.943 nan 8.190 nan 0.000 0.472 241 E N 3.012 123.110 120.200 -0.170 0.000 2.317 241 E HA 0.327 4.677 4.350 -0.000 0.000 0.270 241 E C -0.695 175.845 176.600 -0.099 0.000 0.885 241 E CA -0.780 55.524 56.400 -0.161 0.000 0.760 241 E CB 1.723 31.348 29.700 -0.125 0.000 1.227 241 E HN 0.670 nan 8.360 nan 0.000 0.434 242 E N 3.944 124.084 120.200 -0.099 0.000 2.376 242 E HA -0.034 4.316 4.350 -0.000 0.000 0.266 242 E C 0.885 177.491 176.600 0.009 0.000 1.009 242 E CA -0.099 56.276 56.400 -0.042 0.000 0.902 242 E CB 1.037 30.714 29.700 -0.039 0.000 0.972 242 E HN 0.628 nan 8.360 nan 0.000 0.439 243 L N 6.079 127.302 121.223 -0.001 0.000 1.976 243 L HA -0.287 4.053 4.340 -0.000 0.000 0.223 243 L C 1.933 178.815 176.870 0.019 0.000 1.081 243 L CA 2.087 56.928 54.840 0.002 0.000 0.784 243 L CB -0.475 41.580 42.059 -0.007 0.000 0.896 243 L HN 0.600 nan 8.230 nan 0.000 0.438 244 E N -1.094 119.122 120.200 0.026 0.000 2.097 244 E HA -0.297 4.053 4.350 -0.000 0.000 0.196 244 E C 2.225 178.847 176.600 0.037 0.000 1.000 244 E CA 1.624 58.039 56.400 0.024 0.000 0.804 244 E CB -0.758 28.956 29.700 0.024 0.000 0.740 244 E HN 0.708 nan 8.360 nan 0.000 0.454 245 H N 0.593 119.647 119.070 -0.028 0.000 2.353 245 H HA -0.031 4.525 4.556 -0.000 0.000 0.300 245 H C 1.894 177.203 175.328 -0.032 0.000 1.090 245 H CA 1.737 57.769 56.048 -0.027 0.000 1.327 245 H CB 0.133 29.876 29.762 -0.032 0.000 1.383 245 H HN 0.128 nan 8.280 nan 0.000 0.508 246 A N 1.112 124.007 122.820 0.126 0.000 1.898 246 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 246 A C 2.901 180.476 177.584 -0.014 0.000 1.181 246 A CA 1.157 53.227 52.037 0.056 0.000 0.620 246 A CB -0.798 18.216 19.000 0.023 0.000 0.819 246 A HN 0.405 nan 8.150 nan 0.000 0.442 247 L N -0.751 120.459 121.223 -0.021 0.000 2.027 247 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 247 L C 3.098 179.939 176.870 -0.049 0.000 1.074 247 L CA 1.031 55.850 54.840 -0.034 0.000 0.745 247 L CB -0.610 41.433 42.059 -0.027 0.000 0.898 247 L HN 0.423 nan 8.230 nan 0.000 0.433 248 A N 1.012 123.791 122.820 -0.069 0.000 1.986 248 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 248 A C 2.200 179.723 177.584 -0.102 0.000 1.171 248 A CA 1.957 53.939 52.037 -0.091 0.000 0.640 248 A CB -0.604 18.320 19.000 -0.126 0.000 0.811 248 A HN 0.599 nan 8.150 nan 0.000 0.451 249 R N -0.945 119.484 120.500 -0.117 0.000 2.388 249 R HA 0.348 4.688 4.340 -0.000 0.000 0.247 249 R C 0.871 177.144 176.300 -0.045 0.000 0.931 249 R CA 0.516 56.562 56.100 -0.090 0.000 1.082 249 R CB -0.826 29.408 30.300 -0.109 0.000 1.135 249 R HN 0.672 nan 8.270 nan 0.000 0.525 250 G N 0.963 109.739 108.800 -0.040 0.000 2.371 250 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.299 250 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.299 250 G C 0.188 175.081 174.900 -0.012 0.000 1.014 250 G CA 0.362 45.448 45.100 -0.024 0.000 1.097 250 G HN 0.710 nan 8.290 nan 0.000 0.512 251 A N -0.271 122.541 122.820 -0.012 0.000 2.264 251 A HA 0.701 5.021 4.320 -0.000 0.000 0.304 251 A C 0.273 177.855 177.584 -0.003 0.000 1.100 251 A CA -0.164 51.875 52.037 0.004 0.000 0.839 251 A CB 0.574 19.577 19.000 0.005 0.000 1.121 251 A HN 1.256 nan 8.150 nan 0.000 0.496 252 H N 0.751 119.764 119.070 -0.095 0.000 2.800 252 H HA 0.471 5.027 4.556 0.000 0.000 0.291 252 H C -0.705 174.505 175.328 -0.198 0.000 1.076 252 H CA -0.148 55.798 56.048 -0.171 0.000 1.452 252 H CB -0.077 29.542 29.762 -0.238 0.000 1.461 252 H HN 0.401 nan 8.280 nan 0.000 0.488 253 I N 7.128 127.314 120.570 -0.640 0.000 2.312 253 I HA 0.010 4.180 4.170 -0.000 0.000 0.290 253 I C 0.127 175.861 176.117 -0.638 0.000 1.008 253 I CA -0.452 60.566 61.300 -0.471 0.000 1.226 253 I CB 0.844 38.709 38.000 -0.225 0.000 1.371 253 I HN 0.745 nan 8.210 nan 0.000 0.468 254 Y N 5.187 125.247 120.300 -0.400 0.000 2.153 254 Y HA 0.161 4.711 4.550 -0.000 0.000 0.289 254 Y C 1.286 177.091 175.900 -0.158 0.000 1.127 254 Y CA 1.157 59.105 58.100 -0.253 0.000 1.131 254 Y CB 0.128 38.517 38.460 -0.119 0.000 0.995 254 Y HN 0.680 nan 8.280 nan 0.000 0.505 255 A N -0.911 121.936 122.820 0.045 0.000 2.540 255 A HA 0.433 4.753 4.320 -0.000 0.000 0.291 255 A C -1.502 176.076 177.584 -0.010 0.000 1.083 255 A CA -0.802 51.238 52.037 0.006 0.000 0.650 255 A CB 0.768 19.782 19.000 0.024 0.000 1.292 255 A HN 0.069 nan 8.150 nan 0.000 0.435 256 E N 0.357 120.550 120.200 -0.012 0.000 2.179 256 E HA 0.604 4.954 4.350 -0.000 0.000 0.275 256 E C -1.236 175.359 176.600 -0.008 0.000 0.945 256 E CA -0.612 55.779 56.400 -0.015 0.000 0.792 256 E CB 1.011 30.703 29.700 -0.014 0.000 1.125 256 E HN 0.491 nan 8.360 nan 0.000 0.397 257 I N 5.879 126.441 120.570 -0.013 0.000 2.294 257 I HA 0.025 4.195 4.170 -0.000 0.000 0.295 257 I C 1.084 177.210 176.117 0.016 0.000 1.098 257 I CA -0.262 61.036 61.300 -0.004 0.000 1.277 257 I CB 0.721 38.706 38.000 -0.026 0.000 1.434 257 I HN 0.495 nan 8.210 nan 0.000 0.498 258 V N 2.560 122.489 119.914 0.026 0.000 3.647 258 V HA 0.469 4.589 4.120 -0.000 0.000 0.279 258 V C 0.744 176.870 176.094 0.053 0.000 1.314 258 V CA 0.150 62.469 62.300 0.031 0.000 1.125 258 V CB -0.222 31.613 31.823 0.020 0.000 0.907 258 V HN 0.696 nan 8.190 nan 0.000 0.434 259 G N -0.435 108.411 108.800 0.076 0.000 2.766 259 G HA2 0.541 4.501 3.960 -0.000 0.000 0.297 259 G HA3 0.541 4.501 3.960 -0.000 0.000 0.297 259 G C -2.268 172.740 174.900 0.180 0.000 1.431 259 G CA -0.573 44.592 45.100 0.107 0.000 1.042 259 G HN 0.346 nan 8.290 nan 0.000 0.542 260 Y N 1.359 121.676 120.300 0.029 0.000 2.330 260 Y HA 0.670 5.220 4.550 -0.000 0.000 0.324 260 Y C -0.149 175.775 175.900 0.040 0.000 1.093 260 Y CA -1.081 57.037 58.100 0.029 0.000 1.103 260 Y CB 1.664 40.142 38.460 0.031 0.000 1.183 260 Y HN 0.850 nan 8.280 nan 0.000 0.433 261 G N 2.956 111.617 108.800 -0.233 0.000 2.420 261 G HA2 0.759 4.719 3.960 -0.000 0.000 0.331 261 G HA3 0.759 4.719 3.960 -0.000 0.000 0.331 261 G C -1.635 173.008 174.900 -0.429 0.000 1.168 261 G CA -0.635 44.267 45.100 -0.331 0.000 0.936 261 G HN 1.206 nan 8.290 nan 0.000 0.479 262 A N 1.283 123.898 122.820 -0.342 0.000 2.530 262 A HA 0.797 5.117 4.320 -0.000 0.000 0.279 262 A C -0.039 177.522 177.584 -0.040 0.000 1.109 262 A CA -0.081 51.900 52.037 -0.093 0.000 0.763 262 A CB 1.023 19.944 19.000 -0.131 0.000 1.257 262 A HN 1.514 nan 8.150 nan 0.000 0.424 263 T N -1.438 113.138 114.554 0.036 0.000 2.831 263 T HA 0.863 5.213 4.350 -0.000 0.000 0.287 263 T C -0.235 174.501 174.700 0.060 0.000 1.070 263 T CA -0.554 61.561 62.100 0.024 0.000 1.010 263 T CB 1.822 70.699 68.868 0.016 0.000 1.264 263 T HN 1.278 nan 8.240 nan 0.000 0.532 264 S N -0.877 114.851 115.700 0.047 0.000 2.538 264 S HA 0.445 4.915 4.470 -0.000 0.000 0.288 264 S C -0.117 174.528 174.600 0.076 0.000 1.108 264 S CA -0.636 57.601 58.200 0.062 0.000 0.971 264 S CB 1.522 64.740 63.200 0.031 0.000 1.041 264 S HN 0.695 nan 8.310 nan 0.000 0.483 265 D N 2.907 123.376 120.400 0.114 0.000 2.137 265 D HA 0.139 4.779 4.640 -0.000 0.000 0.202 265 D C 1.474 177.819 176.300 0.075 0.000 0.970 265 D CA 1.494 55.563 54.000 0.115 0.000 0.837 265 D CB -0.536 40.371 40.800 0.179 0.000 0.981 265 D HN 1.048 nan 8.370 nan 0.000 0.475 266 G N 0.196 109.038 108.800 0.069 0.000 2.305 266 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.287 266 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.287 266 G C 0.639 175.566 174.900 0.045 0.000 1.036 266 G CA 0.923 46.050 45.100 0.046 0.000 0.887 266 G HN 0.624 nan 8.290 nan 0.000 0.505 267 A N -0.888 121.969 122.820 0.061 0.000 1.795 267 A HA 0.685 5.005 4.320 -0.000 0.000 0.182 267 A C 0.458 178.073 177.584 0.052 0.000 2.073 267 A CA 1.134 53.202 52.037 0.052 0.000 1.402 267 A CB 0.324 19.357 19.000 0.055 0.000 0.977 267 A HN 0.565 nan 8.150 nan 0.000 0.648 268 D N -1.389 119.055 120.400 0.073 0.000 2.198 268 D HA 0.491 5.131 4.640 -0.000 0.000 0.247 268 D C 1.034 177.380 176.300 0.077 0.000 1.010 268 D CA -0.526 53.510 54.000 0.061 0.000 0.880 268 D CB 0.897 41.730 40.800 0.056 0.000 1.209 268 D HN 0.092 nan 8.370 nan 0.000 0.451 269 M N 2.179 121.793 119.600 0.024 0.000 2.254 269 M HA -0.019 4.461 4.480 -0.000 0.000 0.265 269 M C 1.485 177.744 176.300 -0.068 0.000 1.066 269 M CA 1.102 56.398 55.300 -0.007 0.000 1.123 269 M CB -0.391 32.177 32.600 -0.052 0.000 1.388 269 M HN 0.547 nan 8.290 nan 0.000 0.425 270 V N -4.083 115.761 119.914 -0.117 0.000 3.371 270 V HA 0.504 4.624 4.120 -0.000 0.000 0.246 270 V C 0.916 177.090 176.094 0.134 0.000 1.303 270 V CA 0.047 62.164 62.300 -0.306 0.000 1.156 270 V CB -0.636 30.831 31.823 -0.594 0.000 0.929 270 V HN 0.120 nan 8.190 nan 0.000 0.459 271 A N 2.122 125.017 122.820 0.126 0.000 2.309 271 A HA 0.835 5.155 4.320 -0.000 0.000 0.298 271 A C -2.727 174.930 177.584 0.120 0.000 1.165 271 A CA -1.628 50.488 52.037 0.131 0.000 0.821 271 A CB 0.131 19.166 19.000 0.058 0.000 1.102 271 A HN 0.374 nan 8.150 nan 0.000 0.500 272 P HA 0.114 nan 4.420 nan 0.000 0.271 272 P C 0.855 178.072 177.300 -0.138 0.000 1.216 272 P CA 0.079 62.925 63.100 -0.424 0.000 0.771 272 P CB 1.189 32.295 31.700 -0.990 0.000 0.864 273 S N 2.130 117.809 115.700 -0.035 0.000 2.446 273 S HA 0.102 4.572 4.470 -0.000 0.000 0.225 273 S C 1.672 176.256 174.600 -0.028 0.000 1.016 273 S CA 0.992 59.190 58.200 -0.003 0.000 0.943 273 S CB -1.037 62.187 63.200 0.040 0.000 0.786 273 S HN 0.659 nan 8.310 nan 0.000 0.508 274 G N 1.736 110.504 108.800 -0.055 0.000 2.527 274 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.218 274 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.218 274 G C 0.881 175.773 174.900 -0.013 0.000 1.177 274 G CA 0.611 45.684 45.100 -0.045 0.000 0.695 274 G HN 0.573 nan 8.290 nan 0.000 0.517 275 E N 1.256 121.456 120.200 -0.001 0.000 2.118 275 E HA 0.010 4.360 4.350 -0.000 0.000 0.195 275 E C 2.583 179.192 176.600 0.015 0.000 0.992 275 E CA 1.894 58.296 56.400 0.004 0.000 0.804 275 E CB -0.804 28.900 29.700 0.006 0.000 0.741 275 E HN 0.654 nan 8.360 nan 0.000 0.458 276 G N 0.627 109.451 108.800 0.040 0.000 2.422 276 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 276 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 276 G C 1.657 176.595 174.900 0.063 0.000 1.146 276 G CA 0.896 46.035 45.100 0.065 0.000 0.769 276 G HN 0.422 nan 8.290 nan 0.000 0.547 277 A N 0.118 122.974 122.820 0.059 0.000 1.902 277 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 277 A C 2.606 180.202 177.584 0.019 0.000 1.181 277 A CA 1.748 53.817 52.037 0.053 0.000 0.623 277 A CB -0.605 18.412 19.000 0.027 0.000 0.818 277 A HN 0.242 nan 8.150 nan 0.000 0.443 278 V N 0.040 119.953 119.914 -0.000 0.000 2.261 278 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 278 V C 2.651 178.723 176.094 -0.037 0.000 1.047 278 V CA 2.324 64.607 62.300 -0.028 0.000 1.015 278 V CB -0.801 31.003 31.823 -0.031 0.000 0.642 278 V HN 0.531 nan 8.190 nan 0.000 0.446 279 R N -1.089 119.398 120.500 -0.023 0.000 2.105 279 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 279 R C 2.403 178.683 176.300 -0.034 0.000 1.135 279 R CA 1.761 57.843 56.100 -0.031 0.000 0.967 279 R CB -0.876 29.412 30.300 -0.020 0.000 0.861 279 R HN 0.574 nan 8.270 nan 0.000 0.442 280 C N 0.606 119.898 119.300 -0.014 0.000 2.453 280 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 280 C C 2.610 177.586 174.990 -0.023 0.000 1.262 280 C CA 0.760 59.767 59.018 -0.017 0.000 1.718 280 C CB -0.654 27.098 27.740 0.019 0.000 2.031 280 C HN 0.460 nan 8.230 nan 0.000 0.480 281 M N 0.201 119.789 119.600 -0.019 0.000 2.117 281 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 281 M C 2.214 178.479 176.300 -0.059 0.000 1.065 281 M CA 1.834 57.118 55.300 -0.027 0.000 1.114 281 M CB -0.448 32.129 32.600 -0.038 0.000 1.361 281 M HN 0.367 nan 8.290 nan 0.000 0.408 282 K N -0.029 120.323 120.400 -0.080 0.000 2.147 282 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 282 K C 1.944 178.528 176.600 -0.028 0.000 1.049 282 K CA 1.239 57.481 56.287 -0.075 0.000 0.936 282 K CB -0.222 32.230 32.500 -0.081 0.000 0.722 282 K HN 0.369 nan 8.250 nan 0.000 0.446 283 M N 0.543 120.119 119.600 -0.040 0.000 2.132 283 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 283 M C 2.117 178.421 176.300 0.006 0.000 1.065 283 M CA 1.638 56.913 55.300 -0.042 0.000 1.122 283 M CB -0.040 32.510 32.600 -0.083 0.000 1.365 283 M HN 0.164 nan 8.290 nan 0.000 0.411 284 A N 0.144 122.965 122.820 0.001 0.000 2.014 284 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 284 A C 1.925 179.543 177.584 0.056 0.000 1.163 284 A CA 1.345 53.404 52.037 0.037 0.000 0.652 284 A CB -0.598 18.428 19.000 0.044 0.000 0.808 284 A HN 0.638 nan 8.150 nan 0.000 0.449 285 M N -1.198 118.426 119.600 0.040 0.000 2.558 285 M HA 0.032 4.512 4.480 -0.000 0.000 0.255 285 M C 0.630 176.958 176.300 0.047 0.000 1.113 285 M CA 0.075 55.395 55.300 0.032 0.000 1.097 285 M CB -0.130 32.461 32.600 -0.015 0.000 1.426 285 M HN 0.505 nan 8.290 nan 0.000 0.488 286 H N 0.409 119.465 119.070 -0.023 0.000 3.145 286 H HA 0.194 4.750 4.556 -0.000 0.000 0.288 286 H C 1.106 176.430 175.328 -0.006 0.000 0.969 286 H CA 1.552 57.588 56.048 -0.019 0.000 1.444 286 H CB 0.083 29.832 29.762 -0.022 0.000 1.500 286 H HN 0.443 nan 8.280 nan 0.000 0.552 287 G N 3.070 111.611 108.800 -0.433 0.000 2.258 287 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.233 287 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.233 287 G C 0.068 174.890 174.900 -0.130 0.000 1.006 287 G CA 0.071 44.985 45.100 -0.309 0.000 0.620 287 G HN 0.699 nan 8.290 nan 0.000 0.511 288 V N 3.170 123.040 119.914 -0.073 0.000 2.421 288 V HA 0.311 4.431 4.120 -0.000 0.000 0.271 288 V C 1.365 177.443 176.094 -0.028 0.000 1.031 288 V CA 0.841 63.124 62.300 -0.029 0.000 1.032 288 V CB 0.961 32.787 31.823 0.004 0.000 1.009 288 V HN 0.562 nan 8.190 nan 0.000 0.477 289 D N 2.458 122.842 120.400 -0.025 0.000 2.363 289 D HA -0.032 4.608 4.640 -0.000 0.000 0.226 289 D C 0.856 177.154 176.300 -0.002 0.000 1.020 289 D CA 0.325 54.314 54.000 -0.019 0.000 0.892 289 D CB -0.131 40.657 40.800 -0.021 0.000 0.900 289 D HN 0.618 nan 8.370 nan 0.000 0.531 290 T N -2.676 111.882 114.554 0.008 0.000 2.918 290 T HA 0.593 4.943 4.350 -0.000 0.000 0.286 290 T C -2.699 172.023 174.700 0.036 0.000 1.026 290 T CA -1.887 60.225 62.100 0.019 0.000 1.031 290 T CB 2.217 71.096 68.868 0.018 0.000 1.046 290 T HN -0.154 nan 8.240 nan 0.000 0.479 291 P HA 0.349 nan 4.420 nan 0.000 0.277 291 P C -0.466 176.878 177.300 0.074 0.000 1.240 291 P CA -0.712 62.431 63.100 0.071 0.000 0.798 291 P CB 0.596 32.331 31.700 0.058 0.000 0.979 292 I N 3.199 123.838 120.570 0.115 0.000 2.436 292 I HA -0.004 4.166 4.170 -0.000 0.000 0.289 292 I C 1.302 177.418 176.117 -0.002 0.000 1.083 292 I CA 0.406 61.750 61.300 0.073 0.000 1.372 292 I CB -0.221 37.857 38.000 0.130 0.000 1.408 292 I HN 0.321 nan 8.210 nan 0.000 0.516 293 D N 5.038 125.448 120.400 0.018 0.000 2.137 293 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 293 D C 0.166 176.499 176.300 0.054 0.000 0.970 293 D CA 1.530 55.545 54.000 0.026 0.000 0.837 293 D CB 0.239 41.066 40.800 0.045 0.000 0.981 293 D HN 0.525 nan 8.370 nan 0.000 0.475 294 Y N 0.215 120.466 120.300 -0.081 0.000 2.492 294 Y HA 0.458 5.008 4.550 -0.000 0.000 0.346 294 Y C -1.870 173.977 175.900 -0.089 0.000 0.997 294 Y CA -1.505 56.537 58.100 -0.097 0.000 1.025 294 Y CB 1.500 39.904 38.460 -0.094 0.000 1.263 294 Y HN -0.227 nan 8.280 nan 0.000 0.454 295 L N 6.885 127.445 121.223 -1.105 0.000 2.372 295 L HA 0.505 4.845 4.340 -0.000 0.000 0.274 295 L C -1.503 174.732 176.870 -1.057 0.000 0.988 295 L CA -0.421 53.908 54.840 -0.851 0.000 0.833 295 L CB 1.399 43.179 42.059 -0.464 0.000 1.236 295 L HN 0.787 nan 8.230 nan 0.000 0.410 296 N N 3.339 121.621 118.700 -0.698 0.000 2.500 296 N HA 0.229 4.969 4.740 -0.000 0.000 0.236 296 N C -0.527 174.907 175.510 -0.126 0.000 1.022 296 N CA -0.027 52.860 53.050 -0.271 0.000 0.935 296 N CB 0.884 39.382 38.487 0.018 0.000 1.147 296 N HN 0.808 nan 8.380 nan 0.000 0.512 297 S N 2.597 118.256 115.700 -0.068 0.000 2.645 297 S HA 0.046 4.516 4.470 -0.000 0.000 0.266 297 S C 1.305 175.900 174.600 -0.009 0.000 1.258 297 S CA -0.420 57.778 58.200 -0.003 0.000 0.990 297 S CB 1.551 64.806 63.200 0.092 0.000 0.967 297 S HN 0.634 nan 8.310 nan 0.000 0.556 298 Q N 1.749 121.545 119.800 -0.005 0.000 2.020 298 Q HA 0.079 4.419 4.340 -0.000 0.000 0.202 298 Q C 1.333 177.261 176.000 -0.120 0.000 0.982 298 Q CA 1.811 57.581 55.803 -0.054 0.000 0.838 298 Q CB -1.398 27.343 28.738 0.005 0.000 0.899 298 Q HN 1.480 nan 8.270 nan 0.000 0.423 299 G N 0.495 109.235 108.800 -0.100 0.000 2.306 299 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.274 299 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.274 299 G C 0.528 175.281 174.900 -0.244 0.000 0.890 299 G CA 0.745 45.689 45.100 -0.260 0.000 1.298 299 G HN 0.663 nan 8.290 nan 0.000 0.445 300 T N -2.274 112.182 114.554 -0.163 0.000 3.055 300 T HA 0.281 4.631 4.350 -0.000 0.000 0.265 300 T C 1.547 176.255 174.700 0.014 0.000 1.111 300 T CA 1.192 63.237 62.100 -0.091 0.000 1.118 300 T CB 0.182 69.049 68.868 -0.000 0.000 0.909 300 T HN 1.999 nan 8.240 nan 0.000 0.501 301 S N 0.750 116.409 115.700 -0.068 0.000 3.533 301 S HA -0.144 4.326 4.470 -0.000 0.000 0.287 301 S C 0.248 174.886 174.600 0.063 0.000 1.241 301 S CA 0.683 58.860 58.200 -0.040 0.000 0.858 301 S CB -2.257 60.937 63.200 -0.010 0.000 1.033 301 S HN 1.266 nan 8.310 nan 0.000 0.619 302 T N -1.229 113.379 114.554 0.090 0.000 2.929 302 T HA 0.687 5.037 4.350 -0.000 0.000 0.284 302 T C -1.427 173.329 174.700 0.093 0.000 1.014 302 T CA -1.525 60.657 62.100 0.137 0.000 1.051 302 T CB 1.590 70.582 68.868 0.207 0.000 1.028 302 T HN -0.043 nan 8.240 nan 0.000 0.485 303 P HA -0.123 nan 4.420 nan 0.000 0.210 303 P C 1.763 179.102 177.300 0.064 0.000 1.185 303 P CA 0.723 63.866 63.100 0.072 0.000 0.924 303 P CB -0.144 31.598 31.700 0.069 0.000 0.786 304 V N -0.313 119.641 119.914 0.066 0.000 2.358 304 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 304 V C 2.576 178.692 176.094 0.036 0.000 1.047 304 V CA 2.438 64.767 62.300 0.048 0.000 1.035 304 V CB -2.017 29.835 31.823 0.048 0.000 0.658 304 V HN 0.222 nan 8.190 nan 0.000 0.452 305 G N 0.140 108.971 108.800 0.051 0.000 2.491 305 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 305 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 305 G C 1.200 176.111 174.900 0.017 0.000 1.180 305 G CA 1.285 46.395 45.100 0.017 0.000 0.774 305 G HN 0.507 nan 8.290 nan 0.000 0.562 306 D N -0.024 120.406 120.400 0.050 0.000 2.149 306 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 306 D C 2.733 179.123 176.300 0.151 0.000 0.990 306 D CA 0.707 54.776 54.000 0.115 0.000 0.839 306 D CB -0.426 40.436 40.800 0.103 0.000 0.948 306 D HN 0.230 nan 8.370 nan 0.000 0.460 307 V N 1.047 121.013 119.914 0.087 0.000 2.307 307 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 307 V C 2.377 178.488 176.094 0.029 0.000 1.045 307 V CA 1.319 63.654 62.300 0.058 0.000 1.024 307 V CB -0.285 31.561 31.823 0.038 0.000 0.651 307 V HN 0.120 nan 8.190 nan 0.000 0.449 308 K N 0.112 120.515 120.400 0.004 0.000 2.063 308 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 308 K C 2.140 178.726 176.600 -0.023 0.000 1.048 308 K CA 1.821 58.091 56.287 -0.029 0.000 0.928 308 K CB -0.349 32.102 32.500 -0.081 0.000 0.713 308 K HN 0.655 nan 8.250 nan 0.000 0.442 309 E N 0.879 121.075 120.200 -0.006 0.000 2.051 309 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 309 E C 2.170 178.794 176.600 0.041 0.000 0.991 309 E CA 0.810 57.223 56.400 0.021 0.000 0.799 309 E CB -0.036 29.704 29.700 0.067 0.000 0.748 309 E HN 0.161 nan 8.360 nan 0.000 0.449 310 L N 0.464 121.716 121.223 0.049 0.000 2.042 310 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 310 L C 2.702 179.570 176.870 -0.003 0.000 1.076 310 L CA 1.168 56.003 54.840 -0.009 0.000 0.749 310 L CB -0.522 41.513 42.059 -0.041 0.000 0.893 310 L HN 0.250 nan 8.230 nan 0.000 0.432 311 A N -0.083 122.739 122.820 0.004 0.000 1.933 311 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 311 A C 2.523 180.113 177.584 0.010 0.000 1.175 311 A CA 1.720 53.758 52.037 0.003 0.000 0.628 311 A CB -0.653 18.346 19.000 -0.001 0.000 0.814 311 A HN 0.410 nan 8.150 nan 0.000 0.444 312 A N -0.064 122.762 122.820 0.011 0.000 1.898 312 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 312 A C 2.104 179.717 177.584 0.047 0.000 1.181 312 A CA 1.434 53.480 52.037 0.015 0.000 0.620 312 A CB -0.573 18.432 19.000 0.008 0.000 0.819 312 A HN 0.491 nan 8.150 nan 0.000 0.442 313 I N -1.092 119.527 120.570 0.082 0.000 2.226 313 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 313 I C 2.676 178.920 176.117 0.211 0.000 1.100 313 I CA 1.702 63.116 61.300 0.190 0.000 1.374 313 I CB -0.255 37.809 38.000 0.107 0.000 1.057 313 I HN 0.294 nan 8.210 nan 0.000 0.413 314 R N 1.308 121.864 120.500 0.093 0.000 2.081 314 R HA -0.240 4.100 4.340 -0.000 0.000 0.235 314 R C 2.157 178.493 176.300 0.059 0.000 1.131 314 R CA 1.769 57.912 56.100 0.071 0.000 0.960 314 R CB -0.300 30.014 30.300 0.024 0.000 0.856 314 R HN 0.247 nan 8.270 nan 0.000 0.436 315 E N -0.485 119.732 120.200 0.027 0.000 2.110 315 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 315 E C 1.747 178.318 176.600 -0.049 0.000 0.988 315 E CA 1.609 58.005 56.400 -0.008 0.000 0.804 315 E CB -0.180 29.510 29.700 -0.017 0.000 0.745 315 E HN 0.202 nan 8.360 nan 0.000 0.458 316 V N -0.343 119.519 119.914 -0.087 0.000 2.323 316 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 316 V C 1.704 177.548 176.094 -0.417 0.000 1.041 316 V CA 1.849 63.963 62.300 -0.311 0.000 1.025 316 V CB -0.465 31.048 31.823 -0.517 0.000 0.656 316 V HN 0.263 nan 8.190 nan 0.000 0.451 317 F N -0.291 119.646 119.950 -0.022 0.000 2.731 317 F HA 0.521 5.048 4.527 0.000 0.000 0.298 317 F C 1.790 177.578 175.800 -0.019 0.000 1.106 317 F CA 0.518 58.505 58.000 -0.021 0.000 1.329 317 F CB -0.473 38.510 39.000 -0.028 0.000 1.100 317 F HN 0.257 nan 8.300 nan 0.000 0.592 318 G N 1.867 110.744 108.800 0.129 0.000 2.629 318 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.313 318 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.313 318 G C 0.776 175.719 174.900 0.072 0.000 1.217 318 G CA 0.698 45.841 45.100 0.072 0.000 0.994 318 G HN 0.404 nan 8.290 nan 0.000 0.549 319 D N 0.872 121.304 120.400 0.052 0.000 2.328 319 D HA 0.106 4.746 4.640 -0.000 0.000 0.221 319 D C 0.977 177.299 176.300 0.036 0.000 1.072 319 D CA 0.455 54.475 54.000 0.034 0.000 0.850 319 D CB 0.161 40.973 40.800 0.020 0.000 0.922 319 D HN 0.529 nan 8.370 nan 0.000 0.516 320 K N 1.129 121.571 120.400 0.071 0.000 3.135 320 K HA 0.121 4.441 4.320 -0.000 0.000 0.210 320 K C 0.018 176.644 176.600 0.044 0.000 1.176 320 K CA -0.298 56.027 56.287 0.063 0.000 1.064 320 K CB 0.998 33.551 32.500 0.088 0.000 1.009 320 K HN -0.040 nan 8.250 nan 0.000 0.472 321 S N 2.499 118.182 115.700 -0.028 0.000 2.560 321 S HA 0.157 4.627 4.470 -0.000 0.000 0.284 321 S C -1.663 172.769 174.600 -0.279 0.000 1.327 321 S CA -0.972 57.107 58.200 -0.202 0.000 1.055 321 S CB 0.368 63.477 63.200 -0.151 0.000 0.868 321 S HN 0.197 nan 8.310 nan 0.000 0.506 322 P HA 0.357 nan 4.420 nan 0.000 0.293 322 P C -0.901 176.267 177.300 -0.221 0.000 1.304 322 P CA -0.691 62.210 63.100 -0.332 0.000 0.767 322 P CB 0.400 31.825 31.700 -0.459 0.000 1.247 323 A N 0.370 123.134 122.820 -0.093 0.000 2.440 323 A HA 0.460 4.780 4.320 -0.000 0.000 0.251 323 A C 0.252 177.827 177.584 -0.015 0.000 1.089 323 A CA -0.083 51.957 52.037 0.005 0.000 0.779 323 A CB -0.831 18.240 19.000 0.118 0.000 1.022 323 A HN 0.418 nan 8.150 nan 0.000 0.492 324 I N 1.761 122.319 120.570 -0.019 0.000 2.608 324 I HA 0.554 4.724 4.170 -0.000 0.000 0.295 324 I C -0.024 176.154 176.117 0.102 0.000 1.049 324 I CA -0.282 60.981 61.300 -0.063 0.000 1.063 324 I CB 2.551 40.463 38.000 -0.147 0.000 1.248 324 I HN 0.771 nan 8.210 nan 0.000 0.424 325 S N 3.535 119.339 115.700 0.174 0.000 2.535 325 S HA 0.807 5.277 4.470 -0.000 0.000 0.272 325 S C -1.069 173.651 174.600 0.201 0.000 1.149 325 S CA -0.830 57.509 58.200 0.231 0.000 0.888 325 S CB 1.893 65.242 63.200 0.248 0.000 1.110 325 S HN 0.799 nan 8.310 nan 0.000 0.463 326 A N 2.160 125.079 122.820 0.164 0.000 2.322 326 A HA 0.601 4.921 4.320 -0.000 0.000 0.327 326 A C 1.202 178.795 177.584 0.015 0.000 1.394 326 A CA -0.208 51.858 52.037 0.048 0.000 0.921 326 A CB -0.210 18.721 19.000 -0.115 0.000 1.153 326 A HN 1.354 nan 8.150 nan 0.000 0.523 327 T N 0.200 114.775 114.554 0.035 0.000 3.007 327 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 327 T C 1.363 176.034 174.700 -0.049 0.000 1.107 327 T CA 1.338 63.424 62.100 -0.024 0.000 1.118 327 T CB -0.299 68.544 68.868 -0.042 0.000 0.889 327 T HN 0.648 nan 8.240 nan 0.000 0.506 328 K N 1.230 121.604 120.400 -0.043 0.000 2.280 328 K HA 0.150 4.470 4.320 -0.000 0.000 0.202 328 K C 2.640 179.215 176.600 -0.042 0.000 1.047 328 K CA 0.879 57.135 56.287 -0.052 0.000 0.942 328 K CB -0.367 32.062 32.500 -0.117 0.000 0.739 328 K HN 0.485 nan 8.250 nan 0.000 0.457 329 A N 1.704 124.489 122.820 -0.058 0.000 2.019 329 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 329 A C 2.058 179.620 177.584 -0.036 0.000 1.164 329 A CA 1.711 53.717 52.037 -0.052 0.000 0.644 329 A CB -0.444 18.525 19.000 -0.051 0.000 0.805 329 A HN 0.446 nan 8.150 nan 0.000 0.449 330 M N -2.784 116.790 119.600 -0.042 0.000 2.449 330 M HA 0.131 4.611 4.480 -0.000 0.000 0.262 330 M C 1.610 177.889 176.300 -0.035 0.000 1.152 330 M CA 1.321 56.597 55.300 -0.040 0.000 1.104 330 M CB -0.207 32.357 32.600 -0.059 0.000 1.416 330 M HN 0.228 nan 8.290 nan 0.000 0.519 331 T N -1.888 112.643 114.554 -0.039 0.000 3.037 331 T HA 0.547 4.897 4.350 -0.000 0.000 0.252 331 T C 1.108 175.833 174.700 0.041 0.000 1.073 331 T CA 0.554 62.648 62.100 -0.008 0.000 1.091 331 T CB -0.139 68.732 68.868 0.004 0.000 0.935 331 T HN 0.793 nan 8.240 nan 0.000 0.488 332 G N 1.077 109.909 108.800 0.053 0.000 2.796 332 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.571 332 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.571 332 G C -0.931 174.045 174.900 0.126 0.000 1.370 332 G CA -0.410 44.758 45.100 0.114 0.000 0.856 332 G HN 0.771 nan 8.290 nan 0.000 0.538 333 H N 0.895 120.002 119.070 0.062 0.000 2.690 333 H HA 0.570 5.126 4.556 -0.000 0.000 0.289 333 H C 1.695 176.978 175.328 -0.075 0.000 1.089 333 H CA 0.029 56.032 56.048 -0.075 0.000 1.299 333 H CB 0.694 30.262 29.762 -0.323 0.000 1.405 333 H HN 0.786 nan 8.280 nan 0.000 0.463 334 S N 4.865 120.701 115.700 0.227 0.000 2.701 334 S HA 0.090 4.560 4.470 -0.000 0.000 0.220 334 S C 1.398 176.015 174.600 0.028 0.000 0.954 334 S CA 0.025 58.276 58.200 0.085 0.000 0.936 334 S CB -0.526 62.702 63.200 0.046 0.000 0.777 334 S HN 0.717 nan 8.310 nan 0.000 0.518 335 L N -0.066 121.134 121.223 -0.038 0.000 5.154 335 L HA -0.350 3.990 4.340 -0.000 0.000 0.053 335 L C 2.241 179.081 176.870 -0.051 0.000 3.137 335 L CA 1.443 56.120 54.840 -0.271 0.000 1.466 335 L CB -2.112 39.768 42.059 -0.299 0.000 2.980 335 L HN 0.424 nan 8.230 nan 0.000 0.938 336 G N -1.050 107.726 108.800 -0.040 0.000 2.479 336 G HA2 0.044 4.004 3.960 -0.000 0.000 0.220 336 G HA3 0.044 4.004 3.960 -0.000 0.000 0.220 336 G C 1.243 176.148 174.900 0.009 0.000 1.115 336 G CA 1.306 46.405 45.100 -0.002 0.000 0.757 336 G HN 0.861 nan 8.290 nan 0.000 0.560 337 A N 0.210 123.037 122.820 0.012 0.000 2.267 337 A HA 0.669 4.989 4.320 -0.000 0.000 0.213 337 A C 2.525 180.092 177.584 -0.027 0.000 1.192 337 A CA 1.229 53.265 52.037 -0.001 0.000 0.851 337 A CB -0.172 18.836 19.000 0.013 0.000 0.881 337 A HN 0.515 nan 8.150 nan 0.000 0.494 338 A N 0.224 123.045 122.820 0.001 0.000 1.908 338 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 338 A C 2.346 179.884 177.584 -0.077 0.000 1.181 338 A CA 1.997 54.022 52.037 -0.020 0.000 0.627 338 A CB -1.332 17.683 19.000 0.024 0.000 0.818 338 A HN 0.700 nan 8.150 nan 0.000 0.445 339 G N -0.864 107.897 108.800 -0.065 0.000 2.491 339 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 339 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 339 G C 1.665 176.495 174.900 -0.117 0.000 1.180 339 G CA 1.428 46.476 45.100 -0.086 0.000 0.774 339 G HN 0.651 nan 8.290 nan 0.000 0.562 340 V N 0.115 119.957 119.914 -0.119 0.000 2.453 340 V HA -0.096 4.024 4.120 -0.000 0.000 0.247 340 V C 2.728 178.676 176.094 -0.244 0.000 1.048 340 V CA 2.427 64.637 62.300 -0.150 0.000 1.049 340 V CB -0.220 31.535 31.823 -0.114 0.000 0.672 340 V HN 0.523 nan 8.190 nan 0.000 0.457 341 Q N -0.416 119.206 119.800 -0.296 0.000 2.079 341 Q HA -0.244 4.096 4.340 -0.000 0.000 0.200 341 Q C 2.173 177.582 176.000 -0.986 0.000 0.974 341 Q CA 2.075 57.531 55.803 -0.578 0.000 0.840 341 Q CB -0.141 28.337 28.738 -0.434 0.000 0.898 341 Q HN 0.696 nan 8.270 nan 0.000 0.430 342 E N 0.456 120.341 120.200 -0.524 0.000 2.204 342 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 342 E C 1.836 178.331 176.600 -0.176 0.000 0.989 342 E CA 0.796 57.038 56.400 -0.262 0.000 0.824 342 E CB -0.016 29.660 29.700 -0.040 0.000 0.756 342 E HN 0.345 nan 8.360 nan 0.000 0.477 343 A N 0.642 123.342 122.820 -0.199 0.000 1.930 343 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 343 A C 2.084 179.575 177.584 -0.155 0.000 1.175 343 A CA 0.878 52.836 52.037 -0.132 0.000 0.627 343 A CB -0.357 18.564 19.000 -0.132 0.000 0.815 343 A HN 0.157 nan 8.150 nan 0.000 0.443 344 I N -1.570 118.842 120.570 -0.264 0.000 2.353 344 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 344 I C 2.181 178.244 176.117 -0.090 0.000 1.119 344 I CA 0.990 62.149 61.300 -0.235 0.000 1.417 344 I CB -0.351 37.475 38.000 -0.290 0.000 1.078 344 I HN 0.363 nan 8.210 nan 0.000 0.421 345 Y N 0.717 121.003 120.300 -0.023 0.000 2.224 345 Y HA -0.178 4.372 4.550 0.000 0.000 0.289 345 Y C 2.903 178.784 175.900 -0.031 0.000 1.146 345 Y CA 0.740 58.838 58.100 -0.004 0.000 1.182 345 Y CB -1.330 37.137 38.460 0.011 0.000 0.983 345 Y HN 0.091 nan 8.280 nan 0.000 0.524 346 S N 0.033 115.816 115.700 0.137 0.000 2.383 346 S HA -0.113 4.357 4.470 -0.000 0.000 0.227 346 S C 2.137 176.752 174.600 0.024 0.000 1.026 346 S CA 1.003 59.270 58.200 0.113 0.000 0.981 346 S CB -0.570 62.714 63.200 0.140 0.000 0.818 346 S HN 0.353 nan 8.310 nan 0.000 0.472 347 L N 0.951 122.167 121.223 -0.012 0.000 2.093 347 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 347 L C 2.141 179.017 176.870 0.009 0.000 1.085 347 L CA 0.910 55.727 54.840 -0.038 0.000 0.755 347 L CB -0.483 41.477 42.059 -0.164 0.000 0.904 347 L HN 0.288 nan 8.230 nan 0.000 0.435 348 L N -1.172 120.084 121.223 0.055 0.000 2.093 348 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 348 L C 2.587 179.586 176.870 0.214 0.000 1.085 348 L CA 1.129 56.106 54.840 0.228 0.000 0.755 348 L CB -0.304 41.948 42.059 0.321 0.000 0.904 348 L HN 0.310 nan 8.230 nan 0.000 0.435 349 M N -0.804 118.725 119.600 -0.118 0.000 2.175 349 M HA -0.203 4.277 4.480 -0.000 0.000 0.264 349 M C 2.261 178.426 176.300 -0.224 0.000 1.063 349 M CA 1.529 56.488 55.300 -0.568 0.000 1.119 349 M CB -0.229 31.855 32.600 -0.860 0.000 1.377 349 M HN 0.216 nan 8.290 nan 0.000 0.415 350 L N 0.430 121.594 121.223 -0.097 0.000 2.109 350 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 350 L C 2.163 179.035 176.870 0.003 0.000 1.086 350 L CA 1.895 56.718 54.840 -0.029 0.000 0.760 350 L CB -0.481 41.582 42.059 0.007 0.000 0.910 350 L HN 0.198 nan 8.230 nan 0.000 0.437 351 E N -1.125 119.079 120.200 0.007 0.000 2.072 351 E HA -0.187 4.163 4.350 -0.000 0.000 0.190 351 E C 1.618 178.103 176.600 -0.191 0.000 0.982 351 E CA 1.434 57.787 56.400 -0.079 0.000 0.803 351 E CB -0.106 29.545 29.700 -0.080 0.000 0.755 351 E HN 0.617 nan 8.360 nan 0.000 0.453 352 H N -0.915 118.275 119.070 0.199 0.000 2.517 352 H HA 0.283 4.839 4.556 0.000 0.000 0.282 352 H C 0.483 175.958 175.328 0.244 0.000 1.023 352 H CA 0.507 56.691 56.048 0.227 0.000 1.169 352 H CB 0.335 30.274 29.762 0.295 0.000 1.454 352 H HN 0.282 nan 8.280 nan 0.000 0.556 353 G N 2.081 111.010 108.800 0.215 0.000 2.370 353 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.293 353 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.293 353 G C -0.236 174.798 174.900 0.224 0.000 0.992 353 G CA 0.862 46.049 45.100 0.145 0.000 1.247 353 G HN 0.537 nan 8.290 nan 0.000 0.505 354 F N -1.465 118.473 119.950 -0.021 0.000 2.693 354 F HA 0.797 5.324 4.527 0.000 0.000 0.309 354 F C -0.946 174.763 175.800 -0.152 0.000 1.129 354 F CA -2.256 55.709 58.000 -0.058 0.000 0.948 354 F CB 1.150 40.130 39.000 -0.034 0.000 1.315 354 F HN 0.067 nan 8.300 nan 0.000 0.447 355 I N 2.923 123.353 120.570 -0.233 0.000 2.362 355 I HA 0.616 4.786 4.170 -0.000 0.000 0.289 355 I C 0.144 176.147 176.117 -0.190 0.000 0.994 355 I CA -1.068 59.950 61.300 -0.469 0.000 1.158 355 I CB 1.661 39.510 38.000 -0.252 0.000 1.315 355 I HN 0.967 nan 8.210 nan 0.000 0.451 356 A N 9.242 131.861 122.820 -0.335 0.000 2.462 356 A HA 0.462 4.782 4.320 -0.000 0.000 0.243 356 A C -2.342 175.253 177.584 0.019 0.000 1.076 356 A CA -0.966 51.073 52.037 0.004 0.000 0.773 356 A CB -0.362 18.614 19.000 -0.039 0.000 1.010 356 A HN 0.423 nan 8.150 nan 0.000 0.493 357 P HA 0.143 nan 4.420 nan 0.000 0.278 357 P C -0.384 176.947 177.300 0.052 0.000 1.238 357 P CA -0.261 62.869 63.100 0.050 0.000 0.794 357 P CB 1.288 33.012 31.700 0.040 0.000 0.955 358 S N 2.926 118.669 115.700 0.072 0.000 2.592 358 S HA 0.322 4.792 4.470 -0.000 0.000 0.305 358 S C 0.748 175.383 174.600 0.058 0.000 1.118 358 S CA -0.821 57.429 58.200 0.084 0.000 1.075 358 S CB -1.499 61.793 63.200 0.154 0.000 1.107 358 S HN 0.341 nan 8.310 nan 0.000 0.503 359 I N 1.653 122.239 120.570 0.027 0.000 3.378 359 I HA 0.360 4.530 4.170 -0.000 0.000 0.284 359 I C 0.583 176.703 176.117 0.004 0.000 1.157 359 I CA -0.329 60.979 61.300 0.013 0.000 1.193 359 I CB 0.088 38.087 38.000 -0.003 0.000 1.461 359 I HN 0.750 nan 8.210 nan 0.000 0.674 360 N N 0.339 119.037 118.700 -0.004 0.000 2.741 360 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 360 N C -0.741 174.771 175.510 0.003 0.000 1.115 360 N CA 0.374 53.412 53.050 -0.019 0.000 0.724 360 N CB -1.219 37.231 38.487 -0.062 0.000 1.090 360 N HN 0.481 nan 8.380 nan 0.000 0.558 361 I N 0.873 121.463 120.570 0.033 0.000 2.310 361 I HA 0.106 4.276 4.170 -0.000 0.000 0.287 361 I C 0.887 177.040 176.117 0.060 0.000 1.073 361 I CA -0.242 61.095 61.300 0.061 0.000 1.216 361 I CB 1.161 39.211 38.000 0.083 0.000 1.415 361 I HN 0.024 nan 8.210 nan 0.000 0.480 362 E N 3.160 123.404 120.200 0.073 0.000 2.140 362 E HA -0.000 4.350 4.350 -0.000 0.000 0.191 362 E C 0.432 177.087 176.600 0.092 0.000 0.973 362 E CA 0.762 57.206 56.400 0.073 0.000 0.829 362 E CB 0.353 30.095 29.700 0.071 0.000 0.781 362 E HN 0.539 nan 8.360 nan 0.000 0.466 363 E N 0.735 121.010 120.200 0.124 0.000 2.460 363 E HA 0.159 4.509 4.350 -0.000 0.000 0.249 363 E C -1.148 175.503 176.600 0.084 0.000 0.962 363 E CA -0.661 55.805 56.400 0.110 0.000 0.787 363 E CB 0.525 30.319 29.700 0.156 0.000 1.341 363 E HN -0.042 nan 8.360 nan 0.000 0.407 364 L N 3.721 124.984 121.223 0.065 0.000 2.559 364 L HA 0.067 4.407 4.340 -0.000 0.000 0.282 364 L C 0.032 176.928 176.870 0.043 0.000 1.232 364 L CA 0.775 55.650 54.840 0.059 0.000 0.885 364 L CB 0.563 42.641 42.059 0.031 0.000 1.131 364 L HN 0.576 nan 8.230 nan 0.000 0.498 365 D N 2.467 122.901 120.400 0.057 0.000 2.423 365 D HA -0.062 4.578 4.640 -0.000 0.000 0.238 365 D C 1.039 177.345 176.300 0.010 0.000 1.142 365 D CA 0.609 54.632 54.000 0.038 0.000 0.884 365 D CB 0.746 41.590 40.800 0.073 0.000 1.199 365 D HN 0.737 nan 8.370 nan 0.000 0.438 366 E N 0.687 120.890 120.200 0.004 0.000 2.150 366 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 366 E C 1.270 177.864 176.600 -0.011 0.000 0.985 366 E CA 0.722 57.120 56.400 -0.004 0.000 0.814 366 E CB 0.199 29.898 29.700 -0.002 0.000 0.752 366 E HN 0.483 nan 8.360 nan 0.000 0.466 367 Q N -0.446 119.349 119.800 -0.007 0.000 2.364 367 Q HA -0.064 4.276 4.340 -0.000 0.000 0.207 367 Q C 1.578 177.551 176.000 -0.046 0.000 0.970 367 Q CA 1.029 56.823 55.803 -0.015 0.000 0.888 367 Q CB 0.040 28.778 28.738 0.001 0.000 0.951 367 Q HN 0.306 nan 8.270 nan 0.000 0.469 368 A N 0.436 123.215 122.820 -0.068 0.000 2.259 368 A HA 0.321 4.641 4.320 -0.000 0.000 0.208 368 A C 1.823 179.355 177.584 -0.087 0.000 1.201 368 A CA 0.761 52.722 52.037 -0.127 0.000 0.824 368 A CB -0.367 18.527 19.000 -0.176 0.000 0.838 368 A HN 0.279 nan 8.150 nan 0.000 0.485 369 A N 0.338 123.127 122.820 -0.052 0.000 2.648 369 A HA -0.142 4.178 4.320 -0.000 0.000 0.237 369 A C 2.004 179.565 177.584 -0.038 0.000 1.571 369 A CA 1.912 53.928 52.037 -0.035 0.000 1.044 369 A CB -1.522 17.464 19.000 -0.023 0.000 0.632 369 A HN 1.224 nan 8.150 nan 0.000 0.501 370 G N -0.992 107.789 108.800 -0.033 0.000 3.474 370 G HA2 0.459 4.419 3.960 -0.000 0.000 0.269 370 G HA3 0.459 4.419 3.960 -0.000 0.000 0.269 370 G C 0.062 174.936 174.900 -0.042 0.000 1.339 370 G CA -0.236 44.846 45.100 -0.030 0.000 1.258 370 G HN 0.361 nan 8.290 nan 0.000 0.560 371 L N -0.604 120.578 121.223 -0.068 0.000 2.332 371 L HA 0.426 4.766 4.340 -0.000 0.000 0.269 371 L C -0.188 176.625 176.870 -0.096 0.000 1.016 371 L CA -1.245 53.539 54.840 -0.095 0.000 0.809 371 L CB 1.792 43.767 42.059 -0.139 0.000 1.280 371 L HN -0.015 nan 8.230 nan 0.000 0.447 372 N N 1.960 120.596 118.700 -0.106 0.000 2.949 372 N HA 0.244 4.984 4.740 -0.000 0.000 0.243 372 N C -0.975 174.487 175.510 -0.079 0.000 1.113 372 N CA -0.362 52.640 53.050 -0.080 0.000 0.980 372 N CB 0.154 38.600 38.487 -0.068 0.000 1.256 372 N HN 0.305 nan 8.380 nan 0.000 0.508 373 I N 3.149 123.669 120.570 -0.082 0.000 2.322 373 I HA 0.156 4.326 4.170 -0.000 0.000 0.292 373 I C 0.088 176.206 176.117 0.000 0.000 1.060 373 I CA -0.667 60.596 61.300 -0.060 0.000 1.309 373 I CB 0.636 38.576 38.000 -0.099 0.000 1.415 373 I HN 0.074 nan 8.210 nan 0.000 0.492 374 V N 7.006 126.942 119.914 0.036 0.000 2.427 374 V HA 0.129 4.249 4.120 -0.000 0.000 0.268 374 V C 1.378 177.506 176.094 0.057 0.000 1.046 374 V CA -0.118 62.210 62.300 0.046 0.000 0.970 374 V CB 0.849 32.707 31.823 0.059 0.000 1.001 374 V HN 0.899 nan 8.190 nan 0.000 0.476 375 T N 0.602 115.182 114.554 0.044 0.000 3.054 375 T HA 0.244 4.594 4.350 -0.000 0.000 0.255 375 T C 0.245 174.966 174.700 0.035 0.000 1.035 375 T CA -0.144 61.983 62.100 0.045 0.000 0.941 375 T CB -0.153 68.739 68.868 0.041 0.000 1.026 375 T HN 0.815 nan 8.240 nan 0.000 0.533 376 E N 0.428 120.649 120.200 0.034 0.000 2.308 376 E HA 0.410 4.760 4.350 -0.000 0.000 0.275 376 E C -1.392 175.231 176.600 0.038 0.000 0.890 376 E CA -1.016 55.402 56.400 0.029 0.000 0.754 376 E CB 1.121 30.834 29.700 0.021 0.000 1.207 376 E HN -0.086 nan 8.360 nan 0.000 0.426 377 T N 2.709 117.289 114.554 0.043 0.000 2.866 377 T HA 0.094 4.444 4.350 -0.000 0.000 0.293 377 T C -0.401 174.339 174.700 0.067 0.000 1.005 377 T CA 0.484 62.629 62.100 0.075 0.000 1.162 377 T CB 0.158 69.052 68.868 0.043 0.000 0.968 377 T HN 0.475 nan 8.240 nan 0.000 0.530 378 T N 3.906 118.517 114.554 0.095 0.000 2.881 378 T HA 0.225 4.575 4.350 -0.000 0.000 0.291 378 T C -0.547 174.212 174.700 0.098 0.000 0.990 378 T CA -0.946 61.194 62.100 0.068 0.000 0.976 378 T CB 1.171 70.062 68.868 0.038 0.000 0.970 378 T HN 0.463 nan 8.240 nan 0.000 0.438 379 D N 2.832 123.282 120.400 0.084 0.000 2.371 379 D HA 0.384 5.024 4.640 -0.000 0.000 0.256 379 D C 0.316 176.656 176.300 0.066 0.000 1.193 379 D CA 0.109 54.169 54.000 0.099 0.000 0.881 379 D CB 1.107 41.945 40.800 0.064 0.000 1.143 379 D HN 0.300 nan 8.370 nan 0.000 0.473 380 R N 1.403 121.942 120.500 0.065 0.000 2.561 380 R HA 0.107 4.447 4.340 -0.000 0.000 0.266 380 R C -1.292 175.026 176.300 0.030 0.000 1.091 380 R CA -0.570 55.550 56.100 0.033 0.000 0.927 380 R CB 1.109 31.416 30.300 0.012 0.000 1.240 380 R HN 0.040 nan 8.270 nan 0.000 0.449 381 E N 4.836 125.052 120.200 0.026 0.000 1.932 381 E HA 0.158 4.508 4.350 -0.000 0.000 0.275 381 E C -0.278 176.331 176.600 0.015 0.000 1.159 381 E CA -0.021 56.393 56.400 0.024 0.000 0.905 381 E CB 0.229 29.942 29.700 0.022 0.000 1.059 381 E HN 0.425 nan 8.360 nan 0.000 0.400 382 L N 1.395 122.623 121.223 0.008 0.000 2.399 382 L HA 0.290 4.630 4.340 -0.000 0.000 0.266 382 L C 1.380 178.259 176.870 0.014 0.000 1.114 382 L CA -0.216 54.629 54.840 0.009 0.000 0.804 382 L CB 0.925 42.979 42.059 -0.009 0.000 1.146 382 L HN 0.349 nan 8.230 nan 0.000 0.451 383 T N -1.474 113.092 114.554 0.021 0.000 3.057 383 T HA 0.087 4.437 4.350 -0.000 0.000 0.254 383 T C 0.226 174.941 174.700 0.024 0.000 0.965 383 T CA 0.267 62.378 62.100 0.019 0.000 0.978 383 T CB 0.693 69.570 68.868 0.016 0.000 1.169 383 T HN 0.598 nan 8.240 nan 0.000 0.489 384 T N 2.974 117.548 114.554 0.034 0.000 2.840 384 T HA 0.674 5.024 4.350 -0.000 0.000 0.287 384 T C -0.683 174.050 174.700 0.055 0.000 0.991 384 T CA -0.676 61.448 62.100 0.040 0.000 0.964 384 T CB 1.972 70.863 68.868 0.039 0.000 0.954 384 T HN 0.212 nan 8.240 nan 0.000 0.438 385 V N 1.194 121.143 119.914 0.059 0.000 2.960 385 V HA 0.872 4.992 4.120 -0.000 0.000 0.315 385 V C -0.582 175.534 176.094 0.036 0.000 1.087 385 V CA -1.222 61.124 62.300 0.077 0.000 0.982 385 V CB 2.151 34.060 31.823 0.143 0.000 1.039 385 V HN 0.964 nan 8.190 nan 0.000 0.437 386 M N 2.666 122.255 119.600 -0.019 0.000 2.518 386 M HA 0.741 5.221 4.480 -0.000 0.000 0.300 386 M C -1.097 175.162 176.300 -0.069 0.000 1.175 386 M CA -0.273 55.016 55.300 -0.020 0.000 0.890 386 M CB 2.269 34.878 32.600 0.015 0.000 1.710 386 M HN 0.977 nan 8.290 nan 0.000 0.453 387 S N 3.053 118.738 115.700 -0.026 0.000 2.614 387 S HA 0.595 5.065 4.470 -0.000 0.000 0.288 387 S C -1.535 173.058 174.600 -0.012 0.000 1.137 387 S CA -0.772 57.408 58.200 -0.033 0.000 0.992 387 S CB 1.014 64.202 63.200 -0.019 0.000 1.026 387 S HN 0.835 nan 8.310 nan 0.000 0.486 388 N N 2.160 120.852 118.700 -0.013 0.000 2.405 388 N HA 0.576 5.316 4.740 -0.000 0.000 0.299 388 N C -1.268 174.244 175.510 0.004 0.000 1.075 388 N CA -0.403 52.654 53.050 0.011 0.000 0.884 388 N CB 1.902 40.409 38.487 0.033 0.000 1.194 388 N HN 0.482 nan 8.380 nan 0.000 0.491 389 S N 1.085 116.792 115.700 0.012 0.000 2.571 389 S HA 0.517 4.987 4.470 -0.000 0.000 0.284 389 S C -1.321 173.325 174.600 0.077 0.000 1.128 389 S CA -0.672 57.530 58.200 0.004 0.000 0.970 389 S CB 1.098 64.257 63.200 -0.068 0.000 1.039 389 S HN 0.477 nan 8.310 nan 0.000 0.485 390 F N 1.911 121.843 119.950 -0.029 0.000 2.551 390 F HA 0.825 5.352 4.527 -0.000 0.000 0.316 390 F C 0.069 175.884 175.800 0.025 0.000 1.089 390 F CA -0.129 57.880 58.000 0.016 0.000 0.915 390 F CB 1.444 40.467 39.000 0.037 0.000 1.186 390 F HN 0.674 nan 8.300 nan 0.000 0.456 391 G N 3.705 111.865 108.800 -1.065 0.000 2.605 391 G HA2 0.503 4.463 3.960 -0.000 0.000 0.296 391 G HA3 0.503 4.463 3.960 -0.000 0.000 0.296 391 G C -1.589 172.852 174.900 -0.765 0.000 1.304 391 G CA -0.763 43.906 45.100 -0.718 0.000 0.941 391 G HN 0.429 nan 8.290 nan 0.000 0.475 392 F N 0.310 120.069 119.950 -0.319 0.000 2.589 392 F HA 0.391 4.918 4.527 -0.000 0.000 0.352 392 F C 1.688 177.406 175.800 -0.137 0.000 1.168 392 F CA 0.945 58.873 58.000 -0.120 0.000 1.353 392 F CB 0.847 39.862 39.000 0.025 0.000 1.116 392 F HN 1.075 nan 8.300 nan 0.000 0.608 393 G N 0.489 109.376 108.800 0.146 0.000 2.157 393 G HA2 0.042 4.002 3.960 -0.000 0.000 0.239 393 G HA3 0.042 4.002 3.960 -0.000 0.000 0.239 393 G C 0.850 175.783 174.900 0.055 0.000 0.982 393 G CA 0.282 45.425 45.100 0.072 0.000 0.650 393 G HN 1.876 nan 8.290 nan 0.000 0.527 394 G N -0.961 107.884 108.800 0.075 0.000 2.273 394 G HA2 0.076 4.035 3.960 -0.000 0.000 0.280 394 G HA3 0.076 4.035 3.960 -0.000 0.000 0.280 394 G C 0.357 175.304 174.900 0.078 0.000 1.047 394 G CA 1.403 46.614 45.100 0.185 0.000 0.869 394 G HN 1.936 nan 8.290 nan 0.000 0.502 395 T N 0.289 114.771 114.554 -0.120 0.000 2.799 395 T HA 0.578 4.928 4.350 -0.000 0.000 0.286 395 T C 0.006 174.707 174.700 0.001 0.000 0.973 395 T CA -0.611 61.481 62.100 -0.013 0.000 1.035 395 T CB 0.407 69.287 68.868 0.019 0.000 0.932 395 T HN 0.316 nan 8.240 nan 0.000 0.469 396 N N 2.660 121.446 118.700 0.144 0.000 2.238 396 N HA 0.694 5.434 4.740 -0.000 0.000 0.302 396 N C -1.350 174.209 175.510 0.082 0.000 1.072 396 N CA -0.606 52.530 53.050 0.142 0.000 0.792 396 N CB 2.145 40.739 38.487 0.177 0.000 1.425 396 N HN 0.752 nan 8.380 nan 0.000 0.478 397 A N 0.857 123.648 122.820 -0.048 0.000 2.455 397 A HA 0.747 5.067 4.320 -0.000 0.000 0.300 397 A C -0.834 176.738 177.584 -0.020 0.000 1.040 397 A CA -0.476 51.484 52.037 -0.128 0.000 0.697 397 A CB 1.384 20.064 19.000 -0.535 0.000 1.265 397 A HN 0.444 nan 8.150 nan 0.000 0.407 398 T N 2.298 116.877 114.554 0.041 0.000 2.916 398 T HA 0.626 4.976 4.350 -0.000 0.000 0.298 398 T C -0.909 173.870 174.700 0.131 0.000 1.031 398 T CA -0.257 61.879 62.100 0.060 0.000 0.993 398 T CB 0.965 69.858 68.868 0.041 0.000 1.045 398 T HN 0.510 nan 8.240 nan 0.000 0.454 399 L N 2.572 123.850 121.223 0.092 0.000 2.365 399 L HA 0.802 5.142 4.340 -0.000 0.000 0.273 399 L C -0.923 175.984 176.870 0.061 0.000 1.000 399 L CA -1.145 53.753 54.840 0.097 0.000 0.819 399 L CB 2.167 44.251 42.059 0.041 0.000 1.284 399 L HN 0.332 nan 8.230 nan 0.000 0.418 400 V N 3.667 123.621 119.914 0.066 0.000 2.483 400 V HA 0.511 4.631 4.120 -0.000 0.000 0.297 400 V C -0.224 175.893 176.094 0.038 0.000 1.027 400 V CA -0.351 61.980 62.300 0.052 0.000 0.855 400 V CB 1.855 33.714 31.823 0.060 0.000 0.995 400 V HN 0.708 nan 8.190 nan 0.000 0.424 401 M N 5.011 124.628 119.600 0.029 0.000 2.456 401 M HA 0.679 5.159 4.480 -0.000 0.000 0.324 401 M C -0.482 175.832 176.300 0.023 0.000 1.124 401 M CA -0.368 54.943 55.300 0.019 0.000 0.959 401 M CB 2.401 35.007 32.600 0.010 0.000 1.692 401 M HN 0.549 nan 8.290 nan 0.000 0.444 402 R N 1.500 122.009 120.500 0.016 0.000 2.604 402 R HA 0.445 4.785 4.340 -0.000 0.000 0.281 402 R C -1.129 175.174 176.300 0.005 0.000 1.020 402 R CA -0.787 55.321 56.100 0.014 0.000 0.899 402 R CB 1.930 32.238 30.300 0.013 0.000 1.205 402 R HN 0.662 nan 8.270 nan 0.000 0.450 403 K N 2.090 122.493 120.400 0.004 0.000 2.494 403 K HA -0.031 4.289 4.320 -0.000 0.000 0.273 403 K C -0.271 176.321 176.600 -0.014 0.000 0.970 403 K CA 0.006 56.288 56.287 -0.007 0.000 0.963 403 K CB 0.342 32.839 32.500 -0.005 0.000 0.913 403 K HN 0.260 nan 8.250 nan 0.000 0.502 404 L N 3.394 124.601 121.223 -0.028 0.000 2.290 404 L HA 0.065 4.405 4.340 -0.000 0.000 0.284 404 L C 0.676 177.531 176.870 -0.024 0.000 1.078 404 L CA 0.029 54.852 54.840 -0.029 0.000 0.815 404 L CB 1.117 43.150 42.059 -0.043 0.000 1.162 404 L HN 0.497 nan 8.230 nan 0.000 0.435 405 K N 2.757 123.146 120.400 -0.018 0.000 2.009 405 K HA 0.172 4.492 4.320 -0.000 0.000 0.210 405 K C 0.531 177.121 176.600 -0.016 0.000 1.049 405 K CA 1.650 57.929 56.287 -0.014 0.000 0.929 405 K CB -1.087 31.406 32.500 -0.011 0.000 0.714 405 K HN 0.707 nan 8.250 nan 0.000 0.440 406 D N 0.000 120.389 120.400 -0.019 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 nan 54.000 nan 0.000 0.868 406 D CB 0.000 nan 40.800 nan 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683