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 2vb7_1_C 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 SAXATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.615 32.600 0.024 0.000 1.302 2 K N 3.146 123.553 120.400 0.011 0.000 2.414 2 K HA 0.300 4.620 4.320 -0.000 0.000 0.272 2 K C -0.663 175.940 176.600 0.004 0.000 0.993 2 K CA 0.131 56.421 56.287 0.006 0.000 0.964 2 K CB 0.418 32.919 32.500 0.001 0.000 0.925 2 K HN 0.677 nan 8.250 nan 0.000 0.487 3 R N 0.255 120.755 120.500 -0.000 0.000 2.664 3 R HA 0.571 4.911 4.340 -0.000 0.000 0.286 3 R C -0.633 175.659 176.300 -0.013 0.000 0.967 3 R CA -0.731 55.368 56.100 -0.003 0.000 0.933 3 R CB 1.853 32.152 30.300 -0.003 0.000 1.146 3 R HN 0.647 nan 8.270 nan 0.000 0.468 4 A N 2.145 124.954 122.820 -0.018 0.000 2.318 4 A HA 0.622 4.941 4.320 -0.000 0.000 0.317 4 A C -0.437 177.126 177.584 -0.035 0.000 1.159 4 A CA -0.677 51.339 52.037 -0.036 0.000 0.799 4 A CB 1.072 20.044 19.000 -0.048 0.000 1.194 4 A HN 0.517 nan 8.150 nan 0.000 0.479 5 V N 0.173 120.063 119.914 -0.040 0.000 3.046 5 V HA 0.735 4.855 4.120 -0.000 0.000 0.316 5 V C -0.566 175.507 176.094 -0.035 0.000 1.104 5 V CA -1.100 61.180 62.300 -0.032 0.000 1.006 5 V CB 1.717 33.523 31.823 -0.030 0.000 1.058 5 V HN 0.618 nan 8.190 nan 0.000 0.440 6 I N 2.852 123.419 120.570 -0.006 0.000 2.336 6 I HA 0.453 4.623 4.170 -0.000 0.000 0.292 6 I C 1.029 177.221 176.117 0.125 0.000 0.991 6 I CA 0.153 61.462 61.300 0.015 0.000 1.227 6 I CB 1.315 39.310 38.000 -0.008 0.000 1.366 6 I HN 1.050 nan 8.210 nan 0.000 0.466 7 T N 1.014 115.632 114.554 0.106 0.000 3.043 7 T HA 0.475 4.825 4.350 -0.000 0.000 0.272 7 T C 0.487 175.347 174.700 0.268 0.000 0.990 7 T CA -0.351 61.846 62.100 0.163 0.000 0.897 7 T CB 0.525 69.424 68.868 0.052 0.000 1.111 7 T HN 0.752 nan 8.240 nan 0.000 0.529 8 G N 0.923 109.858 108.800 0.224 0.000 2.702 8 G HA2 0.591 4.551 3.960 -0.000 0.000 0.296 8 G HA3 0.591 4.551 3.960 -0.000 0.000 0.296 8 G C -1.947 172.956 174.900 0.006 0.000 1.463 8 G CA -0.952 44.265 45.100 0.195 0.000 0.890 8 G HN 0.341 nan 8.290 nan 0.000 0.534 9 L N 0.266 121.469 121.223 -0.033 0.000 2.371 9 L HA 0.961 5.301 4.340 -0.000 0.000 0.262 9 L C 0.307 177.139 176.870 -0.062 0.000 1.006 9 L CA -1.044 53.720 54.840 -0.127 0.000 0.818 9 L CB 2.650 44.553 42.059 -0.258 0.000 1.354 9 L HN 0.883 nan 8.230 nan 0.000 0.415 10 G N 1.248 110.003 108.800 -0.076 0.000 2.746 10 G HA2 0.754 4.714 3.960 -0.000 0.000 0.297 10 G HA3 0.754 4.714 3.960 -0.000 0.000 0.297 10 G C -2.069 172.798 174.900 -0.056 0.000 1.426 10 G CA -0.403 44.665 45.100 -0.053 0.000 0.989 10 G HN 0.588 nan 8.290 nan 0.000 0.520 11 I N 0.934 121.486 120.570 -0.030 0.000 2.743 11 I HA 0.559 4.729 4.170 -0.000 0.000 0.292 11 I C -1.519 174.591 176.117 -0.012 0.000 1.343 11 I CA -0.858 60.424 61.300 -0.030 0.000 1.038 11 I CB 2.267 40.251 38.000 -0.027 0.000 1.311 11 I HN 0.356 nan 8.210 nan 0.000 0.426 12 V N 6.537 126.432 119.914 -0.033 0.000 2.409 12 V HA 0.638 4.758 4.120 -0.000 0.000 0.290 12 V C -0.282 175.729 176.094 -0.139 0.000 1.017 12 V CA -0.242 62.019 62.300 -0.065 0.000 0.841 12 V CB 1.402 33.199 31.823 -0.043 0.000 1.003 12 V HN 0.806 nan 8.190 nan 0.000 0.426 13 S N 2.298 117.940 115.700 -0.098 0.000 2.661 13 S HA 0.449 4.919 4.470 -0.000 0.000 0.285 13 S C 1.089 175.633 174.600 -0.092 0.000 1.138 13 S CA 0.089 58.241 58.200 -0.080 0.000 0.855 13 S CB 1.835 65.073 63.200 0.063 0.000 1.136 13 S HN 0.929 nan 8.310 nan 0.000 0.484 14 S N 0.472 116.123 115.700 -0.081 0.000 2.469 14 S HA -0.091 4.379 4.470 -0.000 0.000 0.238 14 S C 1.415 175.987 174.600 -0.046 0.000 0.998 14 S CA 1.106 59.260 58.200 -0.077 0.000 0.957 14 S CB -1.142 62.024 63.200 -0.057 0.000 0.764 14 S HN 1.071 nan 8.310 nan 0.000 0.514 15 I N -2.765 117.784 120.570 -0.035 0.000 3.974 15 I HA 0.679 4.849 4.170 -0.000 0.000 0.334 15 I C 0.572 176.670 176.117 -0.031 0.000 1.437 15 I CA -0.386 60.886 61.300 -0.046 0.000 1.113 15 I CB 0.330 38.272 38.000 -0.097 0.000 1.063 15 I HN 0.300 nan 8.210 nan 0.000 0.400 16 G N 0.986 109.776 108.800 -0.017 0.000 2.376 16 G HA2 0.051 4.011 3.960 -0.000 0.000 0.302 16 G HA3 0.051 4.011 3.960 -0.000 0.000 0.302 16 G C -0.924 173.973 174.900 -0.006 0.000 1.586 16 G CA -0.614 44.480 45.100 -0.009 0.000 0.907 16 G HN -0.022 nan 8.290 nan 0.000 0.655 17 N N 0.067 118.765 118.700 -0.004 0.000 2.280 17 N HA 0.125 4.865 4.740 -0.000 0.000 0.192 17 N C 0.381 175.898 175.510 0.013 0.000 1.109 17 N CA 0.596 53.646 53.050 0.001 0.000 0.855 17 N CB 0.340 38.831 38.487 0.006 0.000 0.974 17 N HN 0.817 nan 8.380 nan 0.000 0.482 18 N N -1.537 117.172 118.700 0.016 0.000 3.179 18 N HA -0.018 4.722 4.740 -0.000 0.000 0.250 18 N C 0.382 175.911 175.510 0.031 0.000 1.507 18 N CA -0.612 52.451 53.050 0.022 0.000 0.883 18 N CB 0.435 38.935 38.487 0.022 0.000 1.435 18 N HN -0.142 nan 8.380 nan 0.000 0.532 19 Q N -1.310 118.513 119.800 0.039 0.000 2.224 19 Q HA -0.083 4.257 4.340 -0.000 0.000 0.203 19 Q C 0.750 176.778 176.000 0.047 0.000 0.970 19 Q CA 1.412 57.250 55.803 0.059 0.000 0.865 19 Q CB -0.260 28.523 28.738 0.075 0.000 0.922 19 Q HN 0.612 nan 8.270 nan 0.000 0.445 20 Q N 1.255 121.070 119.800 0.026 0.000 2.079 20 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 20 Q C 1.760 177.745 176.000 -0.026 0.000 0.974 20 Q CA 1.855 57.652 55.803 -0.009 0.000 0.840 20 Q CB 0.086 28.819 28.738 -0.008 0.000 0.898 20 Q HN 0.564 nan 8.270 nan 0.000 0.430 21 E N -0.480 119.714 120.200 -0.011 0.000 2.077 21 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 21 E C 1.967 178.552 176.600 -0.024 0.000 0.989 21 E CA 1.323 57.711 56.400 -0.020 0.000 0.800 21 E CB -0.037 29.657 29.700 -0.010 0.000 0.746 21 E HN 0.126 nan 8.360 nan 0.000 0.452 22 V N 1.647 121.564 119.914 0.004 0.000 2.343 22 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 22 V C 2.341 178.431 176.094 -0.006 0.000 1.051 22 V CA 1.446 63.755 62.300 0.015 0.000 1.036 22 V CB -0.435 31.454 31.823 0.110 0.000 0.654 22 V HN 0.224 nan 8.190 nan 0.000 0.451 23 L N 1.088 122.311 121.223 0.000 0.000 2.013 23 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 23 L C 2.440 179.225 176.870 -0.142 0.000 1.073 23 L CA 2.601 57.415 54.840 -0.043 0.000 0.753 23 L CB -1.055 40.922 42.059 -0.136 0.000 0.890 23 L HN 0.225 nan 8.230 nan 0.000 0.432 24 A N -1.431 121.309 122.820 -0.133 0.000 1.877 24 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 24 A C 2.388 179.896 177.584 -0.127 0.000 1.186 24 A CA 2.068 54.018 52.037 -0.146 0.000 0.620 24 A CB -1.121 17.816 19.000 -0.107 0.000 0.822 24 A HN 0.551 nan 8.150 nan 0.000 0.443 25 S N -0.096 115.546 115.700 -0.096 0.000 2.370 25 S HA -0.147 4.323 4.470 -0.000 0.000 0.226 25 S C 1.847 176.387 174.600 -0.100 0.000 1.033 25 S CA 1.600 59.745 58.200 -0.092 0.000 1.011 25 S CB -0.517 62.629 63.200 -0.090 0.000 0.852 25 S HN 0.499 nan 8.310 nan 0.000 0.457 26 L N 0.715 121.882 121.223 -0.093 0.000 2.017 26 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 26 L C 2.745 179.607 176.870 -0.013 0.000 1.073 26 L CA 1.321 56.145 54.840 -0.026 0.000 0.745 26 L CB -0.427 41.703 42.059 0.118 0.000 0.894 26 L HN 0.215 nan 8.230 nan 0.000 0.432 27 R N -0.035 120.348 120.500 -0.196 0.000 2.115 27 R HA -0.141 4.199 4.340 -0.000 0.000 0.230 27 R C 1.779 177.983 176.300 -0.160 0.000 1.111 27 R CA 1.148 57.051 56.100 -0.328 0.000 0.976 27 R CB -0.064 29.915 30.300 -0.535 0.000 0.870 27 R HN 0.455 nan 8.270 nan 0.000 0.445 28 E N -0.844 119.282 120.200 -0.124 0.000 2.479 28 E HA 0.074 4.423 4.350 -0.000 0.000 0.193 28 E C 0.530 177.097 176.600 -0.056 0.000 1.049 28 E CA 0.239 56.588 56.400 -0.085 0.000 0.870 28 E CB 0.703 30.354 29.700 -0.082 0.000 0.944 28 E HN 0.441 nan 8.360 nan 0.000 0.492 29 G N 2.867 111.637 108.800 -0.049 0.000 2.273 29 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.280 29 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.280 29 G C 0.077 174.952 174.900 -0.040 0.000 1.047 29 G CA 0.509 45.587 45.100 -0.036 0.000 0.869 29 G HN 0.217 nan 8.290 nan 0.000 0.502 30 R N 0.194 120.663 120.500 -0.052 0.000 2.340 30 R HA 0.476 4.816 4.340 -0.000 0.000 0.300 30 R C 0.701 176.976 176.300 -0.042 0.000 1.069 30 R CA 0.200 56.274 56.100 -0.043 0.000 0.984 30 R CB 0.562 30.834 30.300 -0.047 0.000 1.003 30 R HN 0.244 nan 8.270 nan 0.000 0.459 31 S N 1.900 117.586 115.700 -0.023 0.000 2.548 31 S HA 0.219 4.689 4.470 -0.000 0.000 0.277 31 S C 0.945 175.542 174.600 -0.005 0.000 1.315 31 S CA -0.242 57.949 58.200 -0.014 0.000 1.050 31 S CB 1.207 64.409 63.200 0.004 0.000 0.918 31 S HN 0.784 nan 8.310 nan 0.000 0.497 32 G N 4.038 112.835 108.800 -0.005 0.000 3.189 32 G HA2 0.222 4.182 3.960 -0.000 0.000 0.225 32 G HA3 0.222 4.182 3.960 -0.000 0.000 0.225 32 G C 0.134 175.062 174.900 0.046 0.000 1.159 32 G CA -0.201 44.902 45.100 0.006 0.000 0.763 32 G HN 0.603 nan 8.290 nan 0.000 0.549 33 I N 2.361 122.973 120.570 0.070 0.000 2.396 33 I HA 0.392 4.562 4.170 -0.000 0.000 0.292 33 I C 0.518 176.735 176.117 0.166 0.000 0.999 33 I CA -0.518 60.859 61.300 0.129 0.000 1.310 33 I CB 0.672 38.740 38.000 0.113 0.000 1.404 33 I HN 0.045 nan 8.210 nan 0.000 0.496 34 T N 2.467 117.177 114.554 0.261 0.000 2.901 34 T HA 0.535 4.885 4.350 -0.000 0.000 0.293 34 T C -0.473 174.389 174.700 0.269 0.000 1.084 34 T CA -0.731 61.533 62.100 0.274 0.000 1.008 34 T CB 1.780 70.829 68.868 0.301 0.000 1.170 34 T HN 0.222 nan 8.240 nan 0.000 0.509 35 F N 1.878 121.879 119.950 0.086 0.000 2.529 35 F HA 0.491 5.018 4.527 -0.000 0.000 0.365 35 F C 0.552 176.273 175.800 -0.132 0.000 1.102 35 F CA 0.041 58.036 58.000 -0.008 0.000 1.271 35 F CB 0.723 39.727 39.000 0.007 0.000 1.120 35 F HN 0.682 nan 8.300 nan 0.000 0.579 36 S N 5.114 120.037 115.700 -1.296 0.000 2.594 36 S HA 0.184 4.654 4.470 -0.000 0.000 0.322 36 S C 0.606 174.366 174.600 -1.400 0.000 1.085 36 S CA -0.705 56.656 58.200 -1.399 0.000 1.116 36 S CB 1.231 63.112 63.200 -2.198 0.000 0.979 36 S HN 0.894 nan 8.310 nan 0.000 0.465 37 Q N 3.438 122.744 119.800 -0.823 0.000 2.135 37 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 37 Q C 1.778 177.546 176.000 -0.387 0.000 0.981 37 Q CA 2.398 57.953 55.803 -0.412 0.000 0.856 37 Q CB -0.179 28.539 28.738 -0.033 0.000 0.902 37 Q HN 0.921 nan 8.270 nan 0.000 0.425 38 E N -0.482 119.492 120.200 -0.377 0.000 2.038 38 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 38 E C 1.848 178.273 176.600 -0.292 0.000 1.000 38 E CA 1.469 57.727 56.400 -0.237 0.000 0.803 38 E CB -0.251 29.420 29.700 -0.049 0.000 0.750 38 E HN 0.472 nan 8.360 nan 0.000 0.448 39 L N 0.611 121.550 121.223 -0.475 0.000 2.042 39 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 39 L C 2.890 179.581 176.870 -0.298 0.000 1.076 39 L CA 1.651 56.312 54.840 -0.298 0.000 0.749 39 L CB -0.554 41.304 42.059 -0.335 0.000 0.893 39 L HN 0.181 nan 8.230 nan 0.000 0.432 40 K N 0.288 120.374 120.400 -0.524 0.000 2.026 40 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 40 K C 1.678 178.060 176.600 -0.364 0.000 1.048 40 K CA 1.795 57.684 56.287 -0.665 0.000 0.929 40 K CB 0.001 32.021 32.500 -0.800 0.000 0.713 40 K HN 0.165 nan 8.250 nan 0.000 0.439 41 D N 0.205 120.424 120.400 -0.302 0.000 2.221 41 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 41 D C 1.861 177.988 176.300 -0.289 0.000 0.982 41 D CA 1.498 55.353 54.000 -0.241 0.000 0.857 41 D CB -0.130 40.546 40.800 -0.207 0.000 0.934 41 D HN 0.365 nan 8.370 nan 0.000 0.475 42 S N -1.127 114.369 115.700 -0.340 0.000 2.515 42 S HA 0.138 4.608 4.470 -0.000 0.000 0.231 42 S C 1.754 176.183 174.600 -0.286 0.000 0.987 42 S CA 1.006 58.923 58.200 -0.472 0.000 0.936 42 S CB 0.251 63.169 63.200 -0.470 0.000 0.766 42 S HN 0.322 nan 8.310 nan 0.000 0.528 43 G N 0.462 109.161 108.800 -0.169 0.000 2.179 43 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 43 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 43 G C 0.052 174.954 174.900 0.002 0.000 0.990 43 G CA 0.067 45.119 45.100 -0.080 0.000 0.646 43 G HN 0.487 nan 8.290 nan 0.000 0.517 44 M N -0.351 119.267 119.600 0.029 0.000 2.207 44 M HA 0.392 4.872 4.480 -0.000 0.000 0.311 44 M C 1.839 178.245 176.300 0.178 0.000 1.127 44 M CA 0.268 55.628 55.300 0.101 0.000 1.181 44 M CB 0.465 33.134 32.600 0.115 0.000 1.409 44 M HN 0.167 nan 8.290 nan 0.000 0.461 45 R N -0.424 120.123 120.500 0.078 0.000 2.206 45 R HA 0.121 4.461 4.340 -0.000 0.000 0.198 45 R C 0.418 176.564 176.300 -0.257 0.000 0.986 45 R CA 0.140 56.213 56.100 -0.046 0.000 1.029 45 R CB 0.326 30.599 30.300 -0.045 0.000 0.966 45 R HN 0.569 nan 8.270 nan 0.000 0.487 46 S N 0.529 116.174 115.700 -0.091 0.000 2.465 46 S HA 0.121 4.591 4.470 -0.000 0.000 0.279 46 S C -0.142 174.465 174.600 0.012 0.000 1.201 46 S CA -0.512 57.627 58.200 -0.102 0.000 1.053 46 S CB 0.267 63.443 63.200 -0.041 0.000 0.953 46 S HN 0.341 nan 8.310 nan 0.000 0.488 47 H N 2.919 121.933 119.070 -0.093 0.000 2.475 47 H HA 0.351 4.907 4.556 -0.000 0.000 0.276 47 H C -0.134 174.989 175.328 -0.342 0.000 1.126 47 H CA -0.646 55.245 56.048 -0.262 0.000 1.023 47 H CB 0.482 30.150 29.762 -0.157 0.000 1.669 47 H HN 0.444 nan 8.280 nan 0.000 0.573 48 V N -1.744 118.122 119.914 -0.079 0.000 2.876 48 V HA 0.642 4.762 4.120 -0.000 0.000 0.312 48 V C -1.379 174.784 176.094 0.115 0.000 1.085 48 V CA -0.950 61.345 62.300 -0.009 0.000 0.945 48 V CB 2.165 34.051 31.823 0.106 0.000 1.017 48 V HN 0.398 nan 8.190 nan 0.000 0.428 49 W N 1.247 122.563 121.300 0.027 0.000 3.066 49 W HA 0.826 5.486 4.660 -0.000 0.000 0.330 49 W C -0.311 176.227 176.519 0.031 0.000 1.253 49 W CA -1.738 55.624 57.345 0.030 0.000 1.187 49 W CB 0.884 30.357 29.460 0.022 0.000 1.434 49 W HN 1.039 nan 8.180 nan 0.000 0.572 50 G N 3.498 112.412 108.800 0.189 0.000 2.857 50 G HA2 0.334 4.294 3.960 -0.000 0.000 0.326 50 G HA3 0.334 4.294 3.960 -0.000 0.000 0.326 50 G C -0.367 174.419 174.900 -0.191 0.000 0.950 50 G CA -0.631 44.483 45.100 0.023 0.000 1.400 50 G HN 0.574 nan 8.290 nan 0.000 0.473 51 N N 1.050 119.562 118.700 -0.313 0.000 2.515 51 N HA 0.220 4.959 4.740 -0.000 0.000 0.279 51 N C -0.235 175.101 175.510 -0.290 0.000 1.164 51 N CA -0.636 52.103 53.050 -0.519 0.000 0.982 51 N CB 1.880 39.957 38.487 -0.683 0.000 1.170 51 N HN -0.025 nan 8.380 nan 0.000 0.474 52 V N 1.377 121.100 119.914 -0.318 0.000 2.470 52 V HA 0.041 4.161 4.120 -0.000 0.000 0.276 52 V C 0.504 176.525 176.094 -0.121 0.000 1.040 52 V CA -0.237 61.915 62.300 -0.247 0.000 1.008 52 V CB 0.010 31.595 31.823 -0.396 0.000 0.990 52 V HN 0.596 nan 8.190 nan 0.000 0.477 53 K N 5.298 125.655 120.400 -0.072 0.000 2.333 53 K HA 0.544 4.864 4.320 -0.000 0.000 0.241 53 K C -0.889 175.711 176.600 -0.001 0.000 1.193 53 K CA 0.055 56.331 56.287 -0.020 0.000 1.142 53 K CB 0.136 32.633 32.500 -0.005 0.000 1.731 53 K HN 0.466 nan 8.250 nan 0.000 0.344 54 L N 0.385 121.615 121.223 0.013 0.000 2.565 54 L HA 0.332 4.672 4.340 -0.000 0.000 0.261 54 L C -1.866 175.037 176.870 0.055 0.000 0.932 54 L CA -0.565 54.297 54.840 0.036 0.000 0.878 54 L CB 2.007 44.092 42.059 0.043 0.000 1.333 54 L HN 0.152 nan 8.230 nan 0.000 0.409 55 D N 2.085 122.513 120.400 0.046 0.000 2.339 55 D HA 0.225 4.865 4.640 -0.000 0.000 0.241 55 D C 0.955 177.280 176.300 0.042 0.000 1.183 55 D CA 0.459 54.485 54.000 0.043 0.000 0.859 55 D CB 1.445 42.264 40.800 0.032 0.000 1.067 55 D HN 0.705 nan 8.370 nan 0.000 0.484 56 T N -0.022 114.559 114.554 0.045 0.000 3.148 56 T HA 0.009 4.359 4.350 -0.000 0.000 0.253 56 T C 0.774 175.468 174.700 -0.010 0.000 1.134 56 T CA -0.227 61.891 62.100 0.029 0.000 1.051 56 T CB -0.458 68.426 68.868 0.027 0.000 0.959 56 T HN 0.265 nan 8.240 nan 0.000 0.525 57 T N 2.633 117.181 114.554 -0.010 0.000 2.822 57 T HA 0.384 4.733 4.350 -0.000 0.000 0.288 57 T C 1.534 176.216 174.700 -0.029 0.000 0.991 57 T CA 0.835 62.920 62.100 -0.026 0.000 1.176 57 T CB -0.157 68.703 68.868 -0.014 0.000 0.951 57 T HN 0.767 nan 8.240 nan 0.000 0.526 58 G N 2.829 111.599 108.800 -0.050 0.000 2.168 58 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.263 58 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.263 58 G C 0.825 175.702 174.900 -0.039 0.000 0.977 58 G CA 0.314 45.385 45.100 -0.049 0.000 0.659 58 G HN 0.706 nan 8.290 nan 0.000 0.533 59 L N -0.574 120.630 121.223 -0.033 0.000 2.395 59 L HA 0.338 4.678 4.340 -0.000 0.000 0.218 59 L C 1.275 178.134 176.870 -0.019 0.000 1.130 59 L CA 0.701 55.538 54.840 -0.005 0.000 0.826 59 L CB -0.091 41.985 42.059 0.028 0.000 0.941 59 L HN 0.298 nan 8.230 nan 0.000 0.451 60 I N -0.709 119.799 120.570 -0.103 0.000 2.569 60 I HA 0.153 4.323 4.170 -0.000 0.000 0.296 60 I C -0.264 175.739 176.117 -0.190 0.000 1.028 60 I CA -0.928 60.248 61.300 -0.207 0.000 1.082 60 I CB 2.213 39.935 38.000 -0.463 0.000 1.264 60 I HN -0.146 nan 8.210 nan 0.000 0.429 61 D N 2.924 123.224 120.400 -0.166 0.000 2.571 61 D HA -0.075 4.565 4.640 -0.000 0.000 0.231 61 D C 1.592 177.795 176.300 -0.162 0.000 1.133 61 D CA 0.195 54.119 54.000 -0.128 0.000 0.862 61 D CB 0.993 41.734 40.800 -0.097 0.000 1.179 61 D HN 0.443 nan 8.370 nan 0.000 0.474 62 R N 2.045 122.464 120.500 -0.136 0.000 2.105 62 R HA -0.127 4.213 4.340 -0.000 0.000 0.239 62 R C 2.062 178.239 176.300 -0.205 0.000 1.135 62 R CA 1.345 57.346 56.100 -0.166 0.000 0.967 62 R CB -1.455 28.767 30.300 -0.130 0.000 0.861 62 R HN 0.388 nan 8.270 nan 0.000 0.442 63 K N 0.103 120.414 120.400 -0.148 0.000 2.365 63 K HA 0.220 4.539 4.320 -0.000 0.000 0.199 63 K C 2.197 178.757 176.600 -0.066 0.000 1.045 63 K CA 0.980 57.193 56.287 -0.124 0.000 0.962 63 K CB -0.464 32.011 32.500 -0.041 0.000 0.759 63 K HN 0.440 nan 8.250 nan 0.000 0.469 64 V N -0.717 119.137 119.914 -0.100 0.000 2.426 64 V HA 0.008 4.128 4.120 -0.000 0.000 0.242 64 V C 2.034 178.042 176.094 -0.144 0.000 1.036 64 V CA 1.163 63.419 62.300 -0.072 0.000 1.044 64 V CB 0.056 31.757 31.823 -0.204 0.000 0.688 64 V HN 0.263 nan 8.190 nan 0.000 0.462 65 V N 2.320 122.067 119.914 -0.278 0.000 2.913 65 V HA -0.170 3.950 4.120 -0.000 0.000 0.260 65 V C 2.729 178.601 176.094 -0.369 0.000 1.098 65 V CA 1.889 64.000 62.300 -0.316 0.000 1.121 65 V CB -0.679 30.960 31.823 -0.307 0.000 0.714 65 V HN 0.695 nan 8.190 nan 0.000 0.487 66 R N -1.044 119.147 120.500 -0.515 0.000 2.193 66 R HA -0.125 4.215 4.340 -0.000 0.000 0.229 66 R C 1.757 177.473 176.300 -0.974 0.000 1.110 66 R CA 1.940 57.509 56.100 -0.885 0.000 0.988 66 R CB -0.673 28.871 30.300 -1.260 0.000 0.871 66 R HN 0.487 nan 8.270 nan 0.000 0.458 67 F N 0.822 120.524 119.950 -0.413 0.000 2.789 67 F HA 0.335 4.862 4.527 -0.000 0.000 0.300 67 F C 0.962 176.610 175.800 -0.252 0.000 1.132 67 F CA 0.104 57.960 58.000 -0.239 0.000 1.404 67 F CB 0.147 39.073 39.000 -0.124 0.000 1.114 67 F HN -0.108 nan 8.300 nan 0.000 0.584 68 M N -0.082 119.409 119.600 -0.181 0.000 2.404 68 M HA 0.302 4.782 4.480 -0.000 0.000 0.338 68 M C 0.440 176.553 176.300 -0.312 0.000 1.150 68 M CA -0.644 54.541 55.300 -0.191 0.000 1.016 68 M CB 1.782 34.271 32.600 -0.186 0.000 1.672 68 M HN 0.002 nan 8.290 nan 0.000 0.448 69 S N 0.311 115.869 115.700 -0.236 0.000 2.713 69 S HA 0.287 4.757 4.470 -0.000 0.000 0.277 69 S C 0.389 174.910 174.600 -0.131 0.000 1.168 69 S CA -0.716 57.397 58.200 -0.144 0.000 0.994 69 S CB 0.886 64.092 63.200 0.010 0.000 1.054 69 S HN 0.661 nan 8.310 nan 0.000 0.555 70 D N 0.876 121.205 120.400 -0.119 0.000 2.144 70 D HA 0.003 4.643 4.640 -0.000 0.000 0.199 70 D C 2.180 178.206 176.300 -0.458 0.000 0.984 70 D CA 1.607 55.364 54.000 -0.404 0.000 0.834 70 D CB -0.858 39.706 40.800 -0.394 0.000 0.955 70 D HN 0.660 nan 8.370 nan 0.000 0.465 71 A N 0.508 123.248 122.820 -0.132 0.000 1.908 71 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 71 A C 2.456 180.047 177.584 0.012 0.000 1.181 71 A CA 1.931 53.976 52.037 0.014 0.000 0.627 71 A CB -0.585 18.453 19.000 0.064 0.000 0.818 71 A HN 0.168 nan 8.150 nan 0.000 0.445 72 S N -0.302 115.385 115.700 -0.022 0.000 2.368 72 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 72 S C 1.806 176.425 174.600 0.032 0.000 1.029 72 S CA 1.329 59.543 58.200 0.024 0.000 0.988 72 S CB -0.484 62.716 63.200 0.000 0.000 0.838 72 S HN 0.535 nan 8.310 nan 0.000 0.462 73 I N 0.455 120.959 120.570 -0.109 0.000 2.127 73 I HA -0.243 3.927 4.170 -0.000 0.000 0.241 73 I C 2.082 178.235 176.117 0.060 0.000 1.075 73 I CA 1.454 62.685 61.300 -0.115 0.000 1.334 73 I CB -0.476 37.352 38.000 -0.286 0.000 1.040 73 I HN 0.271 nan 8.210 nan 0.000 0.405 74 Y N 0.755 121.092 120.300 0.063 0.000 2.181 74 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 74 Y C 2.647 178.589 175.900 0.071 0.000 1.146 74 Y CA 0.804 58.936 58.100 0.053 0.000 1.164 74 Y CB -1.332 37.138 38.460 0.017 0.000 0.982 74 Y HN 0.124 nan 8.280 nan 0.000 0.515 75 A N -0.458 122.500 122.820 0.230 0.000 1.930 75 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 75 A C 2.175 179.856 177.584 0.160 0.000 1.175 75 A CA 1.341 53.467 52.037 0.147 0.000 0.627 75 A CB -1.304 17.762 19.000 0.110 0.000 0.815 75 A HN 0.437 nan 8.150 nan 0.000 0.443 76 F N 0.645 120.648 119.950 0.089 0.000 2.102 76 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 76 F C 1.912 177.800 175.800 0.146 0.000 1.105 76 F CA 1.750 59.849 58.000 0.166 0.000 1.239 76 F CB -0.234 38.845 39.000 0.132 0.000 0.991 76 F HN 0.137 nan 8.300 nan 0.000 0.474 77 L N -0.739 120.718 121.223 0.391 0.000 2.083 77 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 77 L C 2.497 179.417 176.870 0.082 0.000 1.083 77 L CA 1.392 56.380 54.840 0.247 0.000 0.752 77 L CB -0.948 41.252 42.059 0.235 0.000 0.899 77 L HN 0.080 nan 8.230 nan 0.000 0.433 78 S N -0.349 115.385 115.700 0.057 0.000 2.368 78 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 78 S C 1.932 176.461 174.600 -0.119 0.000 1.030 78 S CA 1.557 59.745 58.200 -0.020 0.000 0.999 78 S CB -0.227 62.965 63.200 -0.014 0.000 0.844 78 S HN 0.351 nan 8.310 nan 0.000 0.459 79 M N 1.537 121.006 119.600 -0.218 0.000 2.117 79 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 79 M C 1.937 177.923 176.300 -0.523 0.000 1.065 79 M CA 1.450 56.452 55.300 -0.497 0.000 1.114 79 M CB -0.185 31.896 32.600 -0.866 0.000 1.361 79 M HN 0.239 nan 8.290 nan 0.000 0.408 80 E N -0.186 119.817 120.200 -0.328 0.000 2.058 80 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 80 E C 2.054 178.585 176.600 -0.116 0.000 0.997 80 E CA 1.836 58.138 56.400 -0.163 0.000 0.801 80 E CB -0.234 29.450 29.700 -0.026 0.000 0.746 80 E HN 0.678 nan 8.360 nan 0.000 0.450 81 Q N 0.077 119.829 119.800 -0.079 0.000 2.050 81 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 81 Q C 2.246 178.217 176.000 -0.049 0.000 0.980 81 Q CA 1.406 57.186 55.803 -0.039 0.000 0.840 81 Q CB -0.191 28.536 28.738 -0.019 0.000 0.898 81 Q HN 0.248 nan 8.270 nan 0.000 0.424 82 A N 0.732 123.498 122.820 -0.091 0.000 1.902 82 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 82 A C 2.033 179.598 177.584 -0.031 0.000 1.181 82 A CA 1.081 53.088 52.037 -0.050 0.000 0.623 82 A CB -0.578 18.391 19.000 -0.052 0.000 0.818 82 A HN 0.298 nan 8.150 nan 0.000 0.443 83 I N -0.258 120.228 120.570 -0.140 0.000 2.179 83 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 83 I C 2.968 179.064 176.117 -0.035 0.000 1.088 83 I CA 1.124 62.335 61.300 -0.148 0.000 1.357 83 I CB -0.266 37.493 38.000 -0.402 0.000 1.051 83 I HN 0.356 nan 8.210 nan 0.000 0.409 84 A N 0.117 122.923 122.820 -0.023 0.000 1.902 84 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 84 A C 2.008 179.614 177.584 0.037 0.000 1.181 84 A CA 2.258 54.307 52.037 0.019 0.000 0.623 84 A CB -0.712 18.299 19.000 0.019 0.000 0.818 84 A HN 0.433 nan 8.150 nan 0.000 0.443 85 D N -0.175 120.252 120.400 0.044 0.000 2.144 85 D HA -0.009 4.631 4.640 -0.000 0.000 0.199 85 D C 1.841 178.205 176.300 0.108 0.000 0.984 85 D CA 1.401 55.452 54.000 0.085 0.000 0.834 85 D CB -0.167 40.704 40.800 0.118 0.000 0.955 85 D HN 0.339 nan 8.370 nan 0.000 0.465 86 A N -0.657 122.219 122.820 0.093 0.000 2.206 86 A HA 0.358 4.677 4.320 -0.000 0.000 0.211 86 A C 1.787 179.416 177.584 0.076 0.000 1.158 86 A CA 1.054 53.147 52.037 0.093 0.000 0.761 86 A CB -0.658 18.383 19.000 0.069 0.000 0.801 86 A HN 0.445 nan 8.150 nan 0.000 0.473 87 G N -0.824 108.017 108.800 0.067 0.000 2.246 87 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.273 87 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.273 87 G C -0.091 174.860 174.900 0.086 0.000 1.055 87 G CA 0.381 45.520 45.100 0.064 0.000 0.851 87 G HN 0.484 nan 8.290 nan 0.000 0.500 88 L N 1.786 123.076 121.223 0.113 0.000 2.257 88 L HA 0.489 4.829 4.340 -0.000 0.000 0.290 88 L C 1.266 178.294 176.870 0.263 0.000 1.044 88 L CA -0.237 54.719 54.840 0.193 0.000 0.810 88 L CB 1.368 43.563 42.059 0.227 0.000 1.193 88 L HN 0.428 nan 8.230 nan 0.000 0.425 89 S N 2.843 118.671 115.700 0.212 0.000 2.603 89 S HA 0.305 4.775 4.470 -0.000 0.000 0.268 89 S C -1.801 172.900 174.600 0.169 0.000 1.317 89 S CA -1.099 57.204 58.200 0.171 0.000 1.012 89 S CB 1.106 64.356 63.200 0.084 0.000 0.926 89 S HN 0.367 nan 8.310 nan 0.000 0.539 90 P HA -0.090 nan 4.420 nan 0.000 0.216 90 P C 1.854 178.976 177.300 -0.296 0.000 1.154 90 P CA 2.446 65.387 63.100 -0.264 0.000 0.865 90 P CB -0.390 31.232 31.700 -0.130 0.000 0.789 91 E N -0.387 119.744 120.200 -0.115 0.000 2.153 91 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 91 E C 2.085 178.653 176.600 -0.053 0.000 0.988 91 E CA 1.639 57.989 56.400 -0.083 0.000 0.811 91 E CB -1.632 28.048 29.700 -0.033 0.000 0.746 91 E HN 0.322 nan 8.360 nan 0.000 0.466 92 A N -0.357 122.470 122.820 0.011 0.000 1.968 92 A HA 0.178 4.498 4.320 -0.000 0.000 0.217 92 A C 2.221 179.893 177.584 0.147 0.000 1.169 92 A CA 1.724 53.820 52.037 0.098 0.000 0.638 92 A CB -0.386 18.710 19.000 0.161 0.000 0.812 92 A HN 0.919 nan 8.150 nan 0.000 0.446 93 Y N -1.800 118.547 120.300 0.079 0.000 2.467 93 Y HA 0.435 4.985 4.550 -0.000 0.000 0.259 93 Y C 0.735 176.674 175.900 0.065 0.000 1.084 93 Y CA -0.594 57.570 58.100 0.108 0.000 1.275 93 Y CB -0.175 38.420 38.460 0.225 0.000 1.208 93 Y HN 0.179 nan 8.280 nan 0.000 0.511 94 Q N 2.045 121.476 119.800 -0.616 0.000 2.306 94 Q HA 0.165 4.505 4.340 -0.000 0.000 0.241 94 Q C -0.275 175.525 176.000 -0.334 0.000 0.948 94 Q CA -0.267 55.266 55.803 -0.450 0.000 0.886 94 Q CB 0.374 28.800 28.738 -0.518 0.000 1.227 94 Q HN 0.364 nan 8.270 nan 0.000 0.457 95 N N 1.821 120.213 118.700 -0.513 0.000 2.716 95 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 95 N C -1.227 174.033 175.510 -0.416 0.000 1.033 95 N CA 0.810 53.322 53.050 -0.898 0.000 0.727 95 N CB -1.154 37.063 38.487 -0.450 0.000 0.950 95 N HN 0.548 nan 8.380 nan 0.000 0.541 96 N N -0.110 118.458 118.700 -0.219 0.000 2.531 96 N HA 0.339 5.079 4.740 -0.000 0.000 0.268 96 N C -2.061 173.504 175.510 0.091 0.000 1.023 96 N CA -1.895 51.150 53.050 -0.008 0.000 0.896 96 N CB 1.543 40.036 38.487 0.010 0.000 1.233 96 N HN -0.189 nan 8.380 nan 0.000 0.512 97 P HA -0.016 nan 4.420 nan 0.000 0.223 97 P C 0.474 177.812 177.300 0.063 0.000 1.144 97 P CA 1.025 64.197 63.100 0.120 0.000 0.783 97 P CB 0.306 32.059 31.700 0.089 0.000 0.771 98 R N -1.003 119.519 120.500 0.036 0.000 2.388 98 R HA 0.203 4.543 4.340 -0.000 0.000 0.247 98 R C -0.333 175.939 176.300 -0.047 0.000 0.931 98 R CA 0.037 56.129 56.100 -0.012 0.000 1.082 98 R CB 0.363 30.647 30.300 -0.027 0.000 1.135 98 R HN 0.076 nan 8.270 nan 0.000 0.525 99 V N 0.223 120.141 119.914 0.006 0.000 2.487 99 V HA 0.576 4.696 4.120 -0.000 0.000 0.298 99 V C 0.340 176.471 176.094 0.062 0.000 1.028 99 V CA -0.771 61.535 62.300 0.010 0.000 0.860 99 V CB 1.721 33.611 31.823 0.111 0.000 0.991 99 V HN 0.307 nan 8.190 nan 0.000 0.427 100 G N 3.084 111.890 108.800 0.009 0.000 3.042 100 G HA2 0.834 4.794 3.960 -0.000 0.000 0.278 100 G HA3 0.834 4.794 3.960 -0.000 0.000 0.278 100 G C -1.800 173.143 174.900 0.072 0.000 1.371 100 G CA -0.774 44.336 45.100 0.018 0.000 1.009 100 G HN 0.682 nan 8.290 nan 0.000 0.523 101 L N -0.167 121.050 121.223 -0.010 0.000 2.516 101 L HA 0.670 5.010 4.340 -0.000 0.000 0.267 101 L C -1.490 175.294 176.870 -0.142 0.000 0.957 101 L CA -0.571 54.269 54.840 0.000 0.000 0.860 101 L CB 1.683 43.763 42.059 0.036 0.000 1.265 101 L HN 0.426 nan 8.230 nan 0.000 0.403 102 I N 5.245 125.741 120.570 -0.124 0.000 2.476 102 I HA 0.777 4.947 4.170 -0.000 0.000 0.281 102 I C -0.516 175.579 176.117 -0.037 0.000 1.040 102 I CA -0.329 60.881 61.300 -0.150 0.000 1.094 102 I CB 1.752 39.650 38.000 -0.171 0.000 1.219 102 I HN 0.674 nan 8.210 nan 0.000 0.450 103 A N 4.337 127.159 122.820 0.003 0.000 2.517 103 A HA 0.929 5.249 4.320 -0.000 0.000 0.297 103 A C -0.712 176.905 177.584 0.055 0.000 1.050 103 A CA -0.430 51.622 52.037 0.024 0.000 0.694 103 A CB 1.779 20.787 19.000 0.012 0.000 1.277 103 A HN 0.747 nan 8.150 nan 0.000 0.400 104 G N -0.487 108.349 108.800 0.059 0.000 2.766 104 G HA2 0.736 4.696 3.960 -0.000 0.000 0.288 104 G HA3 0.736 4.696 3.960 -0.000 0.000 0.288 104 G C -0.866 174.074 174.900 0.066 0.000 1.408 104 G CA 0.126 45.270 45.100 0.074 0.000 0.852 104 G HN 1.422 nan 8.290 nan 0.000 0.487 105 S N -2.186 113.557 115.700 0.072 0.000 2.599 105 S HA 0.616 5.086 4.470 -0.000 0.000 0.287 105 S C 1.245 175.889 174.600 0.074 0.000 1.105 105 S CA 0.390 58.631 58.200 0.069 0.000 0.899 105 S CB 1.458 64.701 63.200 0.073 0.000 1.100 105 S HN 1.235 nan 8.310 nan 0.000 0.482 106 G N 1.372 110.213 108.800 0.068 0.000 2.403 106 G HA2 0.121 4.081 3.960 -0.000 0.000 0.216 106 G HA3 0.121 4.081 3.960 -0.000 0.000 0.216 106 G C 1.026 175.987 174.900 0.101 0.000 1.154 106 G CA 0.760 45.909 45.100 0.081 0.000 0.784 106 G HN 0.945 nan 8.290 nan 0.000 0.538 107 G N -1.048 107.812 108.800 0.101 0.000 2.939 107 G HA2 0.434 4.394 3.960 -0.000 0.000 0.216 107 G HA3 0.434 4.394 3.960 -0.000 0.000 0.216 107 G C 1.142 176.093 174.900 0.085 0.000 1.125 107 G CA 0.837 46.000 45.100 0.104 0.000 0.766 107 G HN 1.157 nan 8.290 nan 0.000 0.541 108 G N 0.169 109.018 108.800 0.081 0.000 2.543 108 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.286 108 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.286 108 G C 0.367 175.319 174.900 0.087 0.000 1.153 108 G CA 0.644 45.792 45.100 0.079 0.000 0.968 108 G HN 1.318 nan 8.290 nan 0.000 0.544 109 S N 1.694 117.454 115.700 0.100 0.000 2.279 109 S HA 0.645 5.115 4.470 -0.000 0.000 0.176 109 S C -1.124 173.535 174.600 0.098 0.000 1.554 109 S CA -0.064 58.213 58.200 0.128 0.000 1.242 109 S CB 1.634 64.973 63.200 0.231 0.000 1.163 109 S HN 0.300 nan 8.310 nan 0.000 0.449 110 P HA -0.156 nan 4.420 nan 0.000 0.216 110 P C 1.527 178.781 177.300 -0.075 0.000 1.153 110 P CA 0.873 63.962 63.100 -0.020 0.000 0.858 110 P CB 0.121 31.789 31.700 -0.054 0.000 0.789 111 R N -1.027 119.403 120.500 -0.116 0.000 2.083 111 R HA -0.157 4.182 4.340 -0.000 0.000 0.237 111 R C 1.942 178.100 176.300 -0.237 0.000 1.137 111 R CA 1.787 57.737 56.100 -0.250 0.000 0.951 111 R CB -0.938 29.168 30.300 -0.322 0.000 0.851 111 R HN 0.093 nan 8.270 nan 0.000 0.434 112 F N 0.828 120.794 119.950 0.027 0.000 2.367 112 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 112 F C 2.430 178.320 175.800 0.149 0.000 1.094 112 F CA 0.944 59.009 58.000 0.107 0.000 1.409 112 F CB -0.154 38.874 39.000 0.046 0.000 1.064 112 F HN 0.112 nan 8.300 nan 0.000 0.528 113 Q N -0.202 119.721 119.800 0.204 0.000 2.061 113 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 113 Q C 2.363 178.419 176.000 0.094 0.000 0.984 113 Q CA 1.895 57.777 55.803 0.132 0.000 0.846 113 Q CB -0.503 28.280 28.738 0.076 0.000 0.902 113 Q HN 0.265 nan 8.270 nan 0.000 0.421 114 V N 0.433 120.375 119.914 0.047 0.000 2.379 114 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 114 V C 1.878 177.999 176.094 0.045 0.000 1.044 114 V CA 1.592 63.901 62.300 0.015 0.000 1.036 114 V CB -0.619 31.169 31.823 -0.058 0.000 0.664 114 V HN 0.334 nan 8.190 nan 0.000 0.453 115 F N 2.284 122.196 119.950 -0.064 0.000 2.065 115 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 115 F C 2.188 178.010 175.800 0.037 0.000 1.112 115 F CA 2.000 59.977 58.000 -0.039 0.000 1.212 115 F CB -0.965 37.965 39.000 -0.116 0.000 0.975 115 F HN 0.138 nan 8.300 nan 0.000 0.476 116 G N -0.292 108.520 108.800 0.020 0.000 2.446 116 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 116 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 116 G C 1.808 176.618 174.900 -0.150 0.000 1.168 116 G CA 1.042 46.088 45.100 -0.090 0.000 0.771 116 G HN 0.681 nan 8.290 nan 0.000 0.551 117 A N 0.851 123.629 122.820 -0.070 0.000 1.902 117 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 117 A C 2.115 179.644 177.584 -0.091 0.000 1.181 117 A CA 2.123 54.126 52.037 -0.056 0.000 0.623 117 A CB -0.390 18.601 19.000 -0.016 0.000 0.818 117 A HN 0.283 nan 8.150 nan 0.000 0.443 118 D N 0.101 120.428 120.400 -0.121 0.000 2.097 118 D HA -0.034 4.606 4.640 -0.000 0.000 0.197 118 D C 2.272 178.465 176.300 -0.178 0.000 0.984 118 D CA 1.579 55.511 54.000 -0.114 0.000 0.826 118 D CB -0.488 40.264 40.800 -0.079 0.000 0.973 118 D HN 0.398 nan 8.370 nan 0.000 0.460 119 A N 0.636 123.246 122.820 -0.350 0.000 1.902 119 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 119 A C 2.145 179.619 177.584 -0.183 0.000 1.181 119 A CA 1.802 53.634 52.037 -0.342 0.000 0.623 119 A CB -0.558 18.073 19.000 -0.615 0.000 0.818 119 A HN 0.182 nan 8.150 nan 0.000 0.443 120 M N -0.218 119.288 119.600 -0.157 0.000 2.213 120 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 120 M C 1.780 178.043 176.300 -0.061 0.000 1.062 120 M CA 1.449 56.697 55.300 -0.088 0.000 1.105 120 M CB -0.360 32.201 32.600 -0.065 0.000 1.385 120 M HN 0.355 nan 8.290 nan 0.000 0.417 121 R N -0.196 120.266 120.500 -0.062 0.000 2.313 121 R HA 0.214 4.554 4.340 -0.000 0.000 0.199 121 R C 1.060 177.340 176.300 -0.034 0.000 0.958 121 R CA 0.306 56.383 56.100 -0.039 0.000 1.047 121 R CB -0.235 30.046 30.300 -0.031 0.000 0.955 121 R HN 0.463 nan 8.270 nan 0.000 0.481 122 G N 0.984 109.757 108.800 -0.044 0.000 2.532 122 G HA2 0.159 4.119 3.960 -0.000 0.000 0.291 122 G HA3 0.159 4.119 3.960 -0.000 0.000 0.291 122 G C -1.618 173.268 174.900 -0.024 0.000 1.349 122 G CA -0.904 44.177 45.100 -0.031 0.000 1.038 122 G HN -0.081 nan 8.290 nan 0.000 0.518 123 P HA 0.031 nan 4.420 nan 0.000 0.234 123 P C 1.003 178.297 177.300 -0.010 0.000 1.167 123 P CA 0.653 63.747 63.100 -0.010 0.000 0.763 123 P CB 0.383 32.080 31.700 -0.004 0.000 0.835 124 R N -1.204 119.287 120.500 -0.014 0.000 2.335 124 R HA 0.262 4.602 4.340 -0.000 0.000 0.210 124 R C 1.534 177.824 176.300 -0.017 0.000 0.892 124 R CA 0.495 56.589 56.100 -0.010 0.000 1.048 124 R CB 0.022 30.320 30.300 -0.003 0.000 1.067 124 R HN 0.132 nan 8.270 nan 0.000 0.524 125 G N 2.143 110.927 108.800 -0.028 0.000 2.634 125 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.309 125 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.309 125 G C 0.830 175.711 174.900 -0.033 0.000 1.265 125 G CA 0.493 45.574 45.100 -0.032 0.000 0.998 125 G HN 0.190 nan 8.290 nan 0.000 0.551 126 L N 0.473 121.682 121.223 -0.023 0.000 2.129 126 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 126 L C 3.021 179.884 176.870 -0.010 0.000 1.087 126 L CA 2.262 57.091 54.840 -0.018 0.000 0.757 126 L CB -0.489 41.561 42.059 -0.014 0.000 0.896 126 L HN 0.538 nan 8.230 nan 0.000 0.434 127 K N -0.116 120.280 120.400 -0.007 0.000 2.147 127 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 127 K C 2.228 178.842 176.600 0.023 0.000 1.049 127 K CA 1.253 57.543 56.287 0.005 0.000 0.936 127 K CB -0.188 32.315 32.500 0.005 0.000 0.722 127 K HN 0.318 nan 8.250 nan 0.000 0.446 128 A N 0.979 123.804 122.820 0.008 0.000 1.929 128 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 128 A C 2.336 179.938 177.584 0.030 0.000 1.176 128 A CA 0.997 53.043 52.037 0.015 0.000 0.628 128 A CB -0.431 18.541 19.000 -0.046 0.000 0.816 128 A HN 0.042 nan 8.150 nan 0.000 0.444 129 V N -0.443 119.460 119.914 -0.018 0.000 2.295 129 V HA 0.154 4.274 4.120 -0.000 0.000 0.246 129 V C 1.684 177.894 176.094 0.194 0.000 1.049 129 V CA 1.191 63.509 62.300 0.030 0.000 1.024 129 V CB -2.009 29.813 31.823 -0.002 0.000 0.648 129 V HN 1.268 nan 8.190 nan 0.000 0.447 130 G N 0.482 109.338 108.800 0.093 0.000 2.829 130 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.628 130 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.628 130 G C -1.639 173.226 174.900 -0.060 0.000 1.412 130 G CA -0.073 45.051 45.100 0.040 0.000 0.864 130 G HN 0.341 nan 8.290 nan 0.000 0.544 131 P HA 0.229 nan 4.420 nan 0.000 0.262 131 P C 0.250 177.273 177.300 -0.462 0.000 1.304 131 P CA 0.679 63.539 63.100 -0.401 0.000 0.859 131 P CB 0.053 31.419 31.700 -0.556 0.000 1.310 132 Y N -1.460 118.840 120.300 -0.001 0.000 2.467 132 Y HA 0.116 4.666 4.550 -0.000 0.000 0.250 132 Y C 2.196 178.080 175.900 -0.027 0.000 1.155 132 Y CA -0.153 57.919 58.100 -0.046 0.000 1.249 132 Y CB -0.344 37.989 38.460 -0.212 0.000 1.146 132 Y HN -0.274 nan 8.280 nan 0.000 0.524 133 V N -1.268 118.734 119.914 0.146 0.000 2.548 133 V HA -0.204 3.916 4.120 -0.000 0.000 0.249 133 V C 2.094 178.258 176.094 0.116 0.000 1.055 133 V CA 1.423 63.817 62.300 0.155 0.000 1.065 133 V CB -0.656 31.327 31.823 0.268 0.000 0.681 133 V HN 0.216 nan 8.190 nan 0.000 0.462 134 V N 1.270 121.248 119.914 0.107 0.000 2.287 134 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 134 V C 2.811 178.955 176.094 0.083 0.000 1.053 134 V CA 2.676 65.029 62.300 0.089 0.000 1.027 134 V CB -1.340 30.527 31.823 0.073 0.000 0.646 134 V HN 0.816 nan 8.190 nan 0.000 0.447 135 T N -1.958 112.661 114.554 0.108 0.000 2.951 135 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 135 T C 1.741 176.464 174.700 0.037 0.000 1.073 135 T CA 1.175 63.329 62.100 0.090 0.000 1.134 135 T CB -0.240 68.727 68.868 0.166 0.000 0.884 135 T HN 0.481 nan 8.240 nan 0.000 0.479 136 K N 1.321 121.711 120.400 -0.016 0.000 2.076 136 K HA 0.277 4.597 4.320 -0.000 0.000 0.204 136 K C 2.686 179.302 176.600 0.025 0.000 1.051 136 K CA 1.109 57.326 56.287 -0.117 0.000 0.949 136 K CB -0.234 31.979 32.500 -0.477 0.000 0.726 136 K HN 0.420 nan 8.250 nan 0.000 0.443 137 A N 1.897 124.769 122.820 0.086 0.000 2.081 137 A HA 0.069 4.389 4.320 -0.000 0.000 0.214 137 A C 1.269 178.907 177.584 0.089 0.000 1.158 137 A CA -0.029 52.084 52.037 0.126 0.000 0.724 137 A CB -0.404 18.687 19.000 0.153 0.000 0.826 137 A HN 0.332 nan 8.150 nan 0.000 0.463 138 M N -1.913 117.730 119.600 0.071 0.000 2.240 138 M HA 0.559 5.038 4.480 -0.000 0.000 0.333 138 M C 0.932 177.268 176.300 0.061 0.000 1.110 138 M CA 0.353 55.691 55.300 0.062 0.000 1.173 138 M CB 0.721 33.353 32.600 0.054 0.000 1.458 138 M HN 0.021 nan 8.290 nan 0.000 0.458 139 A N 1.678 124.533 122.820 0.058 0.000 2.019 139 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 139 A C 1.961 179.584 177.584 0.065 0.000 1.164 139 A CA 1.829 53.903 52.037 0.062 0.000 0.644 139 A CB -0.934 18.100 19.000 0.057 0.000 0.805 139 A HN 0.994 nan 8.150 nan 0.000 0.449 140 S N -0.969 114.769 115.700 0.063 0.000 2.614 140 S HA 0.310 4.780 4.470 -0.000 0.000 0.230 140 S C 1.619 176.256 174.600 0.061 0.000 0.952 140 S CA 0.527 58.769 58.200 0.070 0.000 0.949 140 S CB -0.262 62.982 63.200 0.073 0.000 0.786 140 S HN 0.565 nan 8.310 nan 0.000 0.478 141 G N 2.269 111.101 108.800 0.055 0.000 2.513 141 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 141 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 141 G C 1.296 176.226 174.900 0.049 0.000 1.160 141 G CA 1.301 46.427 45.100 0.045 0.000 0.767 141 G HN 0.481 nan 8.290 nan 0.000 0.571 142 V N 1.734 121.683 119.914 0.059 0.000 2.343 142 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 142 V C 3.287 179.425 176.094 0.074 0.000 1.051 142 V CA 2.529 64.870 62.300 0.068 0.000 1.036 142 V CB -0.560 31.304 31.823 0.069 0.000 0.654 142 V HN 0.651 nan 8.190 nan 0.000 0.451 143 S N 0.895 116.634 115.700 0.066 0.000 2.371 143 S HA -0.081 4.389 4.470 -0.000 0.000 0.224 143 S C 2.154 176.790 174.600 0.061 0.000 1.029 143 S CA 1.157 59.393 58.200 0.060 0.000 0.978 143 S CB -0.573 62.661 63.200 0.056 0.000 0.833 143 S HN 0.550 nan 8.310 nan 0.000 0.466 144 A N 0.873 123.723 122.820 0.050 0.000 1.908 144 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 144 A C 2.418 180.011 177.584 0.015 0.000 1.181 144 A CA 1.682 53.733 52.037 0.023 0.000 0.627 144 A CB -1.522 17.482 19.000 0.006 0.000 0.818 144 A HN 0.705 nan 8.150 nan 0.000 0.445 145 C N -1.418 117.905 119.300 0.038 0.000 2.481 145 C HA 0.184 4.644 4.460 -0.000 0.000 0.275 145 C C 2.289 177.362 174.990 0.140 0.000 1.419 145 C CA 0.642 59.687 59.018 0.046 0.000 1.773 145 C CB -1.182 26.587 27.740 0.048 0.000 1.862 145 C HN 0.537 nan 8.230 nan 0.000 0.530 146 L N 0.392 121.729 121.223 0.190 0.000 2.388 146 L HA 0.254 4.594 4.340 -0.000 0.000 0.209 146 L C 2.625 179.679 176.870 0.306 0.000 1.061 146 L CA 1.529 56.574 54.840 0.343 0.000 0.834 146 L CB -1.083 41.145 42.059 0.282 0.000 1.029 146 L HN 0.165 nan 8.230 nan 0.000 0.473 147 A N -0.824 122.096 122.820 0.165 0.000 1.933 147 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 147 A C 2.286 179.952 177.584 0.137 0.000 1.175 147 A CA 2.316 54.440 52.037 0.144 0.000 0.628 147 A CB -0.935 18.117 19.000 0.088 0.000 0.814 147 A HN 0.409 nan 8.150 nan 0.000 0.444 148 T N 0.679 115.281 114.554 0.080 0.000 2.614 148 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 148 T C -0.063 174.653 174.700 0.027 0.000 1.055 148 T CA 1.670 63.787 62.100 0.028 0.000 1.162 148 T CB -1.191 67.642 68.868 -0.058 0.000 0.863 148 T HN 0.504 nan 8.240 nan 0.000 0.414 149 P HA 0.011 nan 4.420 nan 0.000 0.221 149 P C 0.772 177.973 177.300 -0.165 0.000 1.150 149 P CA 1.000 64.050 63.100 -0.084 0.000 0.800 149 P CB -0.260 31.390 31.700 -0.083 0.000 0.787 150 F N 0.545 120.531 119.950 0.060 0.000 2.797 150 F HA 0.193 4.720 4.527 -0.000 0.000 0.302 150 F C 1.034 176.880 175.800 0.077 0.000 1.130 150 F CA 0.144 58.178 58.000 0.056 0.000 1.387 150 F CB -0.626 38.332 39.000 -0.070 0.000 1.107 150 F HN -0.161 nan 8.300 nan 0.000 0.577 151 K N 0.470 120.964 120.400 0.158 0.000 3.096 151 K HA -0.190 4.130 4.320 -0.000 0.000 0.266 151 K C -0.492 176.159 176.600 0.086 0.000 1.043 151 K CA 0.004 56.335 56.287 0.074 0.000 0.758 151 K CB -1.801 30.670 32.500 -0.049 0.000 1.260 151 K HN 0.109 nan 8.250 nan 0.000 0.481 152 I N 1.245 121.930 120.570 0.192 0.000 2.471 152 I HA -0.001 4.169 4.170 -0.000 0.000 0.286 152 I C 1.782 178.078 176.117 0.299 0.000 1.079 152 I CA 0.532 61.958 61.300 0.211 0.000 1.398 152 I CB 0.531 38.645 38.000 0.190 0.000 1.403 152 I HN 0.268 nan 8.210 nan 0.000 0.530 153 H N 3.443 122.556 119.070 0.071 0.000 2.740 153 H HA 0.160 4.716 4.556 -0.000 0.000 0.265 153 H C 1.389 176.735 175.328 0.031 0.000 0.978 153 H CA 0.035 56.108 56.048 0.042 0.000 1.198 153 H CB 1.312 31.093 29.762 0.033 0.000 1.467 153 H HN 0.766 nan 8.280 nan 0.000 0.511 154 G N 1.087 109.975 108.800 0.146 0.000 2.783 154 G HA2 0.209 4.169 3.960 -0.000 0.000 0.182 154 G HA3 0.209 4.169 3.960 -0.000 0.000 0.182 154 G C 0.186 175.101 174.900 0.026 0.000 1.516 154 G CA 0.085 45.224 45.100 0.066 0.000 1.079 154 G HN 0.127 nan 8.290 nan 0.000 0.573 155 V N -0.733 119.166 119.914 -0.026 0.000 2.999 155 V HA 0.446 4.566 4.120 -0.000 0.000 0.307 155 V C -0.213 175.782 176.094 -0.165 0.000 1.084 155 V CA -0.227 62.011 62.300 -0.102 0.000 1.155 155 V CB 1.186 32.880 31.823 -0.214 0.000 0.975 155 V HN 0.770 nan 8.190 nan 0.000 0.490 156 N N 3.251 121.834 118.700 -0.195 0.000 2.699 156 N HA 0.456 5.195 4.740 -0.000 0.000 0.271 156 N C -1.269 174.214 175.510 -0.046 0.000 1.216 156 N CA -0.580 52.395 53.050 -0.125 0.000 0.844 156 N CB 1.095 39.585 38.487 0.005 0.000 1.462 156 N HN 0.999 nan 8.380 nan 0.000 0.555 157 Y N -0.981 119.340 120.300 0.036 0.000 2.750 157 Y HA 0.698 5.248 4.550 -0.000 0.000 0.335 157 Y C -1.160 174.760 175.900 0.033 0.000 1.252 157 Y CA -1.193 56.925 58.100 0.030 0.000 1.064 157 Y CB 0.366 38.840 38.460 0.024 0.000 1.321 157 Y HN 0.094 nan 8.280 nan 0.000 0.451 158 S N 1.334 117.221 115.700 0.312 0.000 2.472 158 S HA 0.712 5.182 4.470 -0.000 0.000 0.303 158 S C -0.667 174.066 174.600 0.222 0.000 1.099 158 S CA -0.666 57.657 58.200 0.206 0.000 1.077 158 S CB 0.741 64.018 63.200 0.129 0.000 1.031 158 S HN 0.520 nan 8.310 nan 0.000 0.487 159 I N 2.809 123.494 120.570 0.191 0.000 2.437 159 I HA 0.420 4.590 4.170 -0.000 0.000 0.298 159 I C 0.135 176.323 176.117 0.118 0.000 0.984 159 I CA -0.312 61.074 61.300 0.144 0.000 1.214 159 I CB 1.697 39.793 38.000 0.161 0.000 1.365 159 I HN 0.645 nan 8.210 nan 0.000 0.469 160 S N 2.704 118.462 115.700 0.096 0.000 2.557 160 S HA 0.657 5.127 4.470 -0.000 0.000 0.291 160 S C -0.288 174.377 174.600 0.109 0.000 1.116 160 S CA -0.521 57.740 58.200 0.101 0.000 0.992 160 S CB 1.712 64.964 63.200 0.086 0.000 1.028 160 S HN 0.670 nan 8.310 nan 0.000 0.484 161 S N 0.952 116.739 115.700 0.146 0.000 2.646 161 S HA 0.643 5.113 4.470 -0.000 0.000 0.217 161 S C 0.421 175.122 174.600 0.168 0.000 0.836 161 S CA -0.240 58.067 58.200 0.178 0.000 1.094 161 S CB -0.578 62.805 63.200 0.304 0.000 1.557 161 S HN 2.397 nan 8.310 nan 0.000 0.449 165 T N 1.711 116.316 114.554 0.085 0.000 2.565 165 T HA -0.252 4.098 4.350 -0.000 0.000 0.265 165 T C 2.213 176.959 174.700 0.077 0.000 1.082 165 T CA 2.879 65.050 62.100 0.118 0.000 1.173 165 T CB -0.384 68.536 68.868 0.086 0.000 0.864 165 T HN 1.055 nan 8.240 nan 0.000 0.425 166 S N 1.377 117.084 115.700 0.013 0.000 2.489 166 S HA 0.266 4.736 4.470 -0.000 0.000 0.228 166 S C 2.322 176.888 174.600 -0.057 0.000 0.995 166 S CA 0.662 58.853 58.200 -0.016 0.000 0.934 166 S CB -0.386 62.792 63.200 -0.036 0.000 0.771 166 S HN 0.534 nan 8.310 nan 0.000 0.522 167 A N 2.626 125.388 122.820 -0.096 0.000 1.877 167 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 167 A C 2.137 179.647 177.584 -0.124 0.000 1.186 167 A CA 1.460 53.408 52.037 -0.148 0.000 0.620 167 A CB -1.096 17.777 19.000 -0.213 0.000 0.822 167 A HN 0.612 nan 8.150 nan 0.000 0.443 168 H N -0.784 118.306 119.070 0.034 0.000 2.421 168 H HA -0.125 4.431 4.556 -0.000 0.000 0.298 168 H C 2.389 177.700 175.328 -0.028 0.000 1.087 168 H CA 1.321 57.408 56.048 0.066 0.000 1.330 168 H CB -0.659 29.178 29.762 0.124 0.000 1.388 168 H HN 0.542 nan 8.280 nan 0.000 0.526 169 C N 0.559 119.910 119.300 0.086 0.000 2.432 169 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 169 C C 3.007 177.951 174.990 -0.077 0.000 1.249 169 C CA 0.496 59.528 59.018 0.024 0.000 1.725 169 C CB -1.067 26.684 27.740 0.018 0.000 2.028 169 C HN 0.435 nan 8.230 nan 0.000 0.477 170 I N 1.096 121.587 120.570 -0.132 0.000 2.226 170 I HA -0.118 4.052 4.170 -0.000 0.000 0.245 170 I C 2.716 178.631 176.117 -0.337 0.000 1.100 170 I CA 1.835 63.017 61.300 -0.197 0.000 1.374 170 I CB -0.893 36.999 38.000 -0.181 0.000 1.057 170 I HN 0.451 nan 8.210 nan 0.000 0.413 171 G N 0.269 108.714 108.800 -0.592 0.000 2.402 171 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 171 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 171 G C 1.443 175.946 174.900 -0.662 0.000 1.162 171 G CA 0.758 45.032 45.100 -1.378 0.000 0.777 171 G HN 0.413 nan 8.290 nan 0.000 0.539 172 N N 0.808 119.353 118.700 -0.258 0.000 2.244 172 N HA -0.077 4.662 4.740 -0.000 0.000 0.183 172 N C 2.555 178.037 175.510 -0.046 0.000 1.016 172 N CA 0.919 53.956 53.050 -0.021 0.000 0.866 172 N CB -0.095 38.460 38.487 0.113 0.000 0.980 172 N HN 0.257 nan 8.380 nan 0.000 0.430 173 A N 0.841 123.597 122.820 -0.107 0.000 1.883 173 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 173 A C 2.407 179.926 177.584 -0.109 0.000 1.186 173 A CA 1.305 53.273 52.037 -0.116 0.000 0.624 173 A CB -0.859 18.056 19.000 -0.142 0.000 0.822 173 A HN 0.182 nan 8.150 nan 0.000 0.444 174 V N 0.141 119.973 119.914 -0.137 0.000 2.287 174 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 174 V C 2.417 178.494 176.094 -0.029 0.000 1.053 174 V CA 2.439 64.685 62.300 -0.090 0.000 1.027 174 V CB -0.966 30.794 31.823 -0.106 0.000 0.646 174 V HN 0.663 nan 8.190 nan 0.000 0.447 175 E N -0.509 119.690 120.200 -0.001 0.000 2.097 175 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 175 E C 2.392 179.009 176.600 0.027 0.000 1.000 175 E CA 1.328 57.759 56.400 0.051 0.000 0.804 175 E CB -0.190 29.570 29.700 0.101 0.000 0.740 175 E HN 0.562 nan 8.360 nan 0.000 0.454 176 Q N 0.159 119.963 119.800 0.007 0.000 2.084 176 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 176 Q C 2.285 178.272 176.000 -0.021 0.000 0.978 176 Q CA 1.065 56.866 55.803 -0.003 0.000 0.844 176 Q CB -0.232 28.490 28.738 -0.026 0.000 0.898 176 Q HN 0.296 nan 8.270 nan 0.000 0.426 177 I N 1.050 121.597 120.570 -0.038 0.000 2.202 177 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 177 I C 2.416 178.523 176.117 -0.017 0.000 1.091 177 I CA 1.296 62.570 61.300 -0.044 0.000 1.368 177 I CB -0.413 37.551 38.000 -0.060 0.000 1.058 177 I HN 0.198 nan 8.210 nan 0.000 0.410 178 Q N -0.232 119.568 119.800 -0.001 0.000 2.135 178 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 178 Q C 2.135 178.144 176.000 0.015 0.000 0.981 178 Q CA 1.282 57.093 55.803 0.014 0.000 0.856 178 Q CB -0.230 28.528 28.738 0.032 0.000 0.902 178 Q HN 0.472 nan 8.270 nan 0.000 0.425 179 L N -0.792 120.441 121.223 0.016 0.000 2.610 179 L HA 0.062 4.402 4.340 -0.000 0.000 0.232 179 L C 1.209 178.085 176.870 0.009 0.000 1.149 179 L CA 0.434 55.284 54.840 0.017 0.000 0.872 179 L CB -0.166 41.907 42.059 0.024 0.000 0.992 179 L HN 0.437 nan 8.230 nan 0.000 0.447 180 G N 0.103 108.904 108.800 0.001 0.000 2.155 180 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 180 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 180 G C 1.026 175.922 174.900 -0.007 0.000 0.983 180 G CA 0.639 45.737 45.100 -0.003 0.000 0.676 180 G HN 0.391 nan 8.290 nan 0.000 0.528 181 K N -0.905 119.491 120.400 -0.007 0.000 2.243 181 K HA 0.100 4.420 4.320 -0.000 0.000 0.201 181 K C 0.950 177.537 176.600 -0.021 0.000 1.051 181 K CA 0.816 57.100 56.287 -0.004 0.000 0.970 181 K CB 0.056 32.562 32.500 0.009 0.000 0.755 181 K HN 0.407 nan 8.250 nan 0.000 0.465 182 Q N -0.316 119.457 119.800 -0.045 0.000 2.389 182 Q HA 0.132 4.472 4.340 -0.000 0.000 0.277 182 Q C -0.556 175.368 176.000 -0.127 0.000 1.082 182 Q CA -0.337 55.417 55.803 -0.081 0.000 0.810 182 Q CB 2.033 30.716 28.738 -0.092 0.000 1.374 182 Q HN -0.045 nan 8.270 nan 0.000 0.422 183 D N 0.343 120.624 120.400 -0.198 0.000 2.277 183 D HA 0.248 4.888 4.640 -0.000 0.000 0.209 183 D C 0.235 176.292 176.300 -0.405 0.000 0.970 183 D CA 0.850 54.642 54.000 -0.347 0.000 0.874 183 D CB 1.185 41.626 40.800 -0.599 0.000 0.982 183 D HN 0.366 nan 8.370 nan 0.000 0.504 184 I N 0.790 121.148 120.570 -0.354 0.000 2.569 184 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 184 I C -1.162 174.732 176.117 -0.372 0.000 1.088 184 I CA -0.753 60.310 61.300 -0.394 0.000 1.047 184 I CB 3.205 40.933 38.000 -0.453 0.000 1.237 184 I HN -0.410 nan 8.210 nan 0.000 0.421 185 V N 5.993 125.671 119.914 -0.395 0.000 2.531 185 V HA 0.409 4.529 4.120 -0.000 0.000 0.301 185 V C -0.592 175.252 176.094 -0.416 0.000 1.034 185 V CA -0.636 61.468 62.300 -0.326 0.000 0.865 185 V CB 1.680 33.386 31.823 -0.196 0.000 0.995 185 V HN 0.358 nan 8.190 nan 0.000 0.424 186 F N 3.292 123.140 119.950 -0.169 0.000 2.438 186 F HA 0.660 5.187 4.527 -0.000 0.000 0.356 186 F C 0.727 176.426 175.800 -0.170 0.000 1.099 186 F CA 0.009 57.890 58.000 -0.197 0.000 1.185 186 F CB 1.058 39.900 39.000 -0.263 0.000 1.115 186 F HN 0.578 nan 8.300 nan 0.000 0.526 187 A N 2.371 125.185 122.820 -0.011 0.000 2.393 187 A HA 0.931 5.251 4.320 -0.000 0.000 0.306 187 A C -0.054 177.501 177.584 -0.048 0.000 1.050 187 A CA 0.108 52.116 52.037 -0.047 0.000 0.724 187 A CB 1.468 20.413 19.000 -0.092 0.000 1.248 187 A HN 1.048 nan 8.150 nan 0.000 0.424 188 G N -0.225 108.553 108.800 -0.038 0.000 2.512 188 G HA2 0.736 4.696 3.960 -0.000 0.000 0.181 188 G HA3 0.736 4.696 3.960 -0.000 0.000 0.181 188 G C -0.189 174.702 174.900 -0.015 0.000 1.173 188 G CA 0.401 45.476 45.100 -0.042 0.000 0.988 188 G HN 2.284 nan 8.290 nan 0.000 0.485 189 G N -2.070 106.726 108.800 -0.007 0.000 2.451 189 G HA2 0.807 4.767 3.960 -0.000 0.000 0.292 189 G HA3 0.807 4.767 3.960 -0.000 0.000 0.292 189 G C -0.603 174.322 174.900 0.041 0.000 1.427 189 G CA 0.579 45.691 45.100 0.021 0.000 0.792 189 G HN 1.997 nan 8.290 nan 0.000 0.498 190 G N -1.191 107.650 108.800 0.068 0.000 2.692 190 G HA2 0.687 4.647 3.960 -0.000 0.000 0.291 190 G HA3 0.687 4.647 3.960 -0.000 0.000 0.291 190 G C -1.910 173.060 174.900 0.117 0.000 1.423 190 G CA -0.386 44.786 45.100 0.119 0.000 0.843 190 G HN 0.691 nan 8.290 nan 0.000 0.486 191 E N -0.247 120.056 120.200 0.172 0.000 2.321 191 E HA 0.345 4.695 4.350 -0.000 0.000 0.281 191 E C -0.210 176.516 176.600 0.209 0.000 0.910 191 E CA -0.692 55.787 56.400 0.131 0.000 0.770 191 E CB 1.537 31.271 29.700 0.057 0.000 1.225 191 E HN 0.709 nan 8.360 nan 0.000 0.417 192 E N 3.211 123.499 120.200 0.148 0.000 2.371 192 E HA 0.379 4.729 4.350 -0.000 0.000 0.257 192 E C -0.824 175.841 176.600 0.109 0.000 1.134 192 E CA -0.770 55.718 56.400 0.146 0.000 0.919 192 E CB 1.063 30.802 29.700 0.065 0.000 1.025 192 E HN 0.257 nan 8.360 nan 0.000 0.438 193 L N 2.367 123.634 121.223 0.073 0.000 2.349 193 L HA 0.457 4.797 4.340 -0.000 0.000 0.278 193 L C -1.388 175.533 176.870 0.085 0.000 0.996 193 L CA -0.399 54.449 54.840 0.014 0.000 0.825 193 L CB 0.982 42.905 42.059 -0.226 0.000 1.243 193 L HN 0.921 nan 8.230 nan 0.000 0.412 194 C N 2.449 121.866 119.300 0.196 0.000 3.181 194 C HA 0.375 4.835 4.460 -0.000 0.000 0.362 194 C C 1.064 176.157 174.990 0.171 0.000 1.125 194 C CA -1.096 58.016 59.018 0.157 0.000 1.265 194 C CB 0.440 28.142 27.740 -0.063 0.000 1.632 194 C HN 1.072 nan 8.230 nan 0.000 0.525 195 W N 1.506 122.916 121.300 0.184 0.000 2.350 195 W HA -0.052 4.608 4.660 -0.000 0.000 0.289 195 W C 1.012 177.597 176.519 0.110 0.000 1.215 195 W CA 2.012 59.428 57.345 0.118 0.000 1.236 195 W CB -1.008 28.482 29.460 0.051 0.000 1.130 195 W HN 0.883 nan 8.180 nan 0.000 0.541 196 E N 0.769 120.383 120.200 -0.976 0.000 2.097 196 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 196 E C 2.341 178.786 176.600 -0.258 0.000 1.000 196 E CA 2.744 58.579 56.400 -0.941 0.000 0.804 196 E CB -0.696 28.479 29.700 -0.876 0.000 0.740 196 E HN 0.404 nan 8.360 nan 0.000 0.454 197 M N -0.625 118.920 119.600 -0.091 0.000 2.325 197 M HA 0.110 4.590 4.480 -0.000 0.000 0.265 197 M C 2.066 178.523 176.300 0.262 0.000 1.094 197 M CA 1.250 56.606 55.300 0.092 0.000 1.161 197 M CB 0.131 32.818 32.600 0.146 0.000 1.358 197 M HN 0.140 nan 8.290 nan 0.000 0.446 198 A N 0.303 123.290 122.820 0.279 0.000 1.933 198 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 198 A C 2.332 180.108 177.584 0.321 0.000 1.175 198 A CA 1.710 53.961 52.037 0.356 0.000 0.628 198 A CB -1.720 17.453 19.000 0.288 0.000 0.814 198 A HN 0.875 nan 8.150 nan 0.000 0.444 199 C N -0.489 118.977 119.300 0.277 0.000 2.419 199 C HA -0.050 4.410 4.460 -0.000 0.000 0.281 199 C C 2.137 177.229 174.990 0.169 0.000 1.336 199 C CA 1.029 60.192 59.018 0.241 0.000 1.770 199 C CB -1.495 26.439 27.740 0.323 0.000 1.929 199 C HN 0.655 nan 8.230 nan 0.000 0.509 200 E N 0.455 120.728 120.200 0.122 0.000 2.106 200 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 200 E C 1.783 178.358 176.600 -0.041 0.000 0.984 200 E CA 1.420 57.814 56.400 -0.011 0.000 0.806 200 E CB -0.327 29.289 29.700 -0.140 0.000 0.750 200 E HN 0.768 nan 8.360 nan 0.000 0.458 201 F N 1.292 121.318 119.950 0.128 0.000 2.146 201 F HA -0.144 4.382 4.527 -0.000 0.000 0.298 201 F C 2.239 178.064 175.800 0.043 0.000 1.096 201 F CA 1.065 59.141 58.000 0.126 0.000 1.275 201 F CB -0.196 38.865 39.000 0.102 0.000 1.008 201 F HN -0.033 nan 8.300 nan 0.000 0.480 202 D N 0.260 120.780 120.400 0.200 0.000 2.144 202 D HA -0.142 4.497 4.640 -0.000 0.000 0.199 202 D C 2.235 178.585 176.300 0.084 0.000 0.984 202 D CA 1.244 55.304 54.000 0.101 0.000 0.834 202 D CB -0.230 40.627 40.800 0.094 0.000 0.955 202 D HN 0.179 nan 8.370 nan 0.000 0.465 203 A N 0.106 122.977 122.820 0.085 0.000 2.067 203 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 203 A C 2.069 179.682 177.584 0.048 0.000 1.158 203 A CA 1.308 53.380 52.037 0.058 0.000 0.661 203 A CB -0.563 18.466 19.000 0.050 0.000 0.801 203 A HN 0.399 nan 8.150 nan 0.000 0.452 204 M N -1.942 117.697 119.600 0.066 0.000 2.428 204 M HA 0.378 4.858 4.480 -0.000 0.000 0.239 204 M C 1.162 177.510 176.300 0.081 0.000 1.121 204 M CA 0.673 56.010 55.300 0.062 0.000 1.019 204 M CB 0.191 32.828 32.600 0.061 0.000 1.485 204 M HN 0.459 nan 8.290 nan 0.000 0.484 205 G N 0.861 109.709 108.800 0.080 0.000 2.136 205 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 205 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 205 G C 0.820 175.767 174.900 0.078 0.000 0.989 205 G CA 0.247 45.386 45.100 0.065 0.000 0.682 205 G HN 0.626 nan 8.290 nan 0.000 0.522 206 A N -0.840 122.045 122.820 0.109 0.000 2.072 206 A HA 0.629 4.949 4.320 -0.000 0.000 0.216 206 A C 1.269 178.731 177.584 -0.203 0.000 1.156 206 A CA 0.848 52.951 52.037 0.110 0.000 0.701 206 A CB 0.090 19.321 19.000 0.385 0.000 0.816 206 A HN 0.664 nan 8.150 nan 0.000 0.458 207 L N -0.200 120.879 121.223 -0.239 0.000 2.360 207 L HA 0.346 4.686 4.340 -0.000 0.000 0.271 207 L C 0.693 177.488 176.870 -0.126 0.000 1.057 207 L CA -0.609 54.021 54.840 -0.349 0.000 0.803 207 L CB 1.596 43.488 42.059 -0.278 0.000 1.207 207 L HN 0.146 nan 8.230 nan 0.000 0.445 208 S N 0.147 115.801 115.700 -0.077 0.000 2.549 208 S HA 0.112 4.582 4.470 -0.000 0.000 0.286 208 S C 0.776 175.381 174.600 0.008 0.000 1.314 208 S CA 0.256 58.477 58.200 0.036 0.000 1.062 208 S CB 0.392 63.656 63.200 0.106 0.000 0.865 208 S HN 0.839 nan 8.310 nan 0.000 0.498 209 T N 1.372 115.928 114.554 0.004 0.000 3.009 209 T HA 0.333 4.683 4.350 -0.000 0.000 0.267 209 T C 0.897 175.527 174.700 -0.117 0.000 0.942 209 T CA -0.427 61.624 62.100 -0.081 0.000 0.883 209 T CB -0.122 68.690 68.868 -0.094 0.000 1.192 209 T HN 0.577 nan 8.240 nan 0.000 0.524 210 K N 0.160 120.478 120.400 -0.136 0.000 2.404 210 K HA 0.255 4.575 4.320 -0.000 0.000 0.194 210 K C -0.280 176.002 176.600 -0.531 0.000 1.023 210 K CA 0.322 56.387 56.287 -0.369 0.000 1.094 210 K CB 0.173 32.363 32.500 -0.517 0.000 0.841 210 K HN 0.435 nan 8.250 nan 0.000 0.523 211 Y N -0.383 119.909 120.300 -0.014 0.000 2.719 211 Y HA 0.193 4.743 4.550 -0.000 0.000 0.251 211 Y C 0.818 176.734 175.900 0.027 0.000 1.159 211 Y CA -0.650 57.454 58.100 0.008 0.000 1.166 211 Y CB 0.169 38.642 38.460 0.020 0.000 1.219 211 Y HN -0.004 nan 8.280 nan 0.000 0.551 212 N N 0.579 119.342 118.700 0.105 0.000 2.289 212 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 212 N C 0.831 176.450 175.510 0.182 0.000 1.016 212 N CA 1.404 54.548 53.050 0.156 0.000 0.872 212 N CB 0.044 38.594 38.487 0.105 0.000 0.973 212 N HN 0.426 nan 8.380 nan 0.000 0.433 213 D N -0.337 120.124 120.400 0.101 0.000 2.317 213 D HA -0.023 4.617 4.640 -0.000 0.000 0.211 213 D C 0.469 176.809 176.300 0.067 0.000 0.966 213 D CA 0.824 54.855 54.000 0.051 0.000 0.876 213 D CB 0.044 40.853 40.800 0.015 0.000 0.927 213 D HN 0.315 nan 8.370 nan 0.000 0.519 214 T N -2.242 112.384 114.554 0.120 0.000 3.410 214 T HA 0.343 4.693 4.350 -0.000 0.000 0.328 214 T C -2.379 172.399 174.700 0.130 0.000 1.567 214 T CA -1.667 60.501 62.100 0.114 0.000 1.626 214 T CB 1.840 70.781 68.868 0.122 0.000 0.939 214 T HN -0.282 nan 8.240 nan 0.000 0.656 215 P HA -0.090 nan 4.420 nan 0.000 0.216 215 P C 1.319 178.675 177.300 0.095 0.000 1.150 215 P CA 1.087 64.275 63.100 0.146 0.000 0.837 215 P CB 0.172 31.981 31.700 0.181 0.000 0.786 216 E N -0.585 119.657 120.200 0.069 0.000 2.418 216 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 216 E C 1.178 177.773 176.600 -0.008 0.000 1.026 216 E CA 0.615 57.036 56.400 0.035 0.000 0.862 216 E CB -0.106 29.612 29.700 0.030 0.000 0.799 216 E HN 0.286 nan 8.360 nan 0.000 0.518 217 K N -0.290 120.094 120.400 -0.026 0.000 2.358 217 K HA 0.206 4.526 4.320 -0.000 0.000 0.197 217 K C 1.537 177.948 176.600 -0.315 0.000 1.025 217 K CA 0.242 56.449 56.287 -0.132 0.000 1.104 217 K CB 0.690 33.129 32.500 -0.101 0.000 0.855 217 K HN 0.002 nan 8.250 nan 0.000 0.531 218 A N 1.277 123.999 122.820 -0.163 0.000 1.898 218 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 218 A C 1.454 178.943 177.584 -0.159 0.000 1.181 218 A CA 0.965 52.909 52.037 -0.156 0.000 0.620 218 A CB -0.094 18.954 19.000 0.080 0.000 0.819 218 A HN 0.172 nan 8.150 nan 0.000 0.442 219 S N 0.522 116.170 115.700 -0.086 0.000 2.411 219 S HA 0.453 4.923 4.470 -0.000 0.000 0.294 219 S C 0.297 174.836 174.600 -0.103 0.000 1.115 219 S CA -0.650 57.517 58.200 -0.055 0.000 1.071 219 S CB -0.079 63.116 63.200 -0.009 0.000 0.967 219 S HN 0.505 nan 8.310 nan 0.000 0.488 220 R N 2.614 123.046 120.500 -0.114 0.000 2.533 220 R HA 0.165 4.505 4.340 -0.000 0.000 0.268 220 R C -0.786 175.446 176.300 -0.114 0.000 1.303 220 R CA -0.621 55.408 56.100 -0.117 0.000 1.429 220 R CB -1.075 29.126 30.300 -0.165 0.000 1.361 220 R HN 0.449 nan 8.270 nan 0.000 0.745 221 T N 2.004 116.445 114.554 -0.189 0.000 2.891 221 T HA -0.079 4.271 4.350 -0.000 0.000 0.296 221 T C -0.019 174.457 174.700 -0.373 0.000 1.025 221 T CA 1.057 62.910 62.100 -0.410 0.000 1.149 221 T CB -0.142 68.355 68.868 -0.618 0.000 1.007 221 T HN 0.519 nan 8.240 nan 0.000 0.528 222 Y N -1.295 119.012 120.300 0.011 0.000 4.894 222 Y HA -0.225 4.325 4.550 -0.000 0.000 0.270 222 Y C 0.738 176.641 175.900 0.005 0.000 0.930 222 Y CA 0.487 58.593 58.100 0.011 0.000 1.814 222 Y CB -2.297 36.169 38.460 0.010 0.000 1.235 222 Y HN 0.779 nan 8.280 nan 0.000 0.480 223 D N 0.624 121.082 120.400 0.097 0.000 2.382 223 D HA 0.521 5.161 4.640 -0.000 0.000 0.245 223 D C 1.318 177.637 176.300 0.032 0.000 1.120 223 D CA 0.824 54.866 54.000 0.071 0.000 0.890 223 D CB 1.239 42.070 40.800 0.051 0.000 1.201 223 D HN 0.292 nan 8.370 nan 0.000 0.433 224 A N 3.134 125.934 122.820 -0.033 0.000 2.024 224 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 224 A C 1.121 178.478 177.584 -0.378 0.000 1.164 224 A CA 1.432 53.330 52.037 -0.232 0.000 0.643 224 A CB -0.554 18.227 19.000 -0.366 0.000 0.806 224 A HN 0.794 nan 8.150 nan 0.000 0.451 225 H N -0.729 118.402 119.070 0.101 0.000 2.486 225 H HA 0.192 4.748 4.556 -0.000 0.000 0.284 225 H C 0.492 175.936 175.328 0.193 0.000 1.103 225 H CA -0.362 55.774 56.048 0.147 0.000 1.089 225 H CB 0.085 29.958 29.762 0.185 0.000 1.603 225 H HN 0.587 nan 8.280 nan 0.000 0.557 226 R N 1.598 122.196 120.500 0.164 0.000 2.756 226 R HA -0.012 4.328 4.340 -0.000 0.000 0.264 226 R C -0.420 175.987 176.300 0.177 0.000 1.026 226 R CA 0.680 56.861 56.100 0.134 0.000 1.121 226 R CB 0.437 30.767 30.300 0.051 0.000 0.999 226 R HN 0.291 nan 8.270 nan 0.000 0.449 227 D N 0.264 120.777 120.400 0.189 0.000 2.740 227 D HA 0.214 4.854 4.640 -0.000 0.000 0.305 227 D C 0.077 176.447 176.300 0.115 0.000 1.583 227 D CA 0.138 54.234 54.000 0.160 0.000 0.790 227 D CB 0.349 41.260 40.800 0.185 0.000 1.187 227 D HN 0.918 nan 8.370 nan 0.000 0.447 228 G N 0.442 109.309 108.800 0.112 0.000 2.392 228 G HA2 0.233 4.193 3.960 -0.000 0.000 0.677 228 G HA3 0.233 4.193 3.960 -0.000 0.000 0.677 228 G C -0.602 174.364 174.900 0.111 0.000 1.334 228 G CA -0.663 44.493 45.100 0.094 0.000 0.961 228 G HN 0.327 nan 8.290 nan 0.000 0.616 229 F N -0.630 119.361 119.950 0.069 0.000 2.370 229 F HA 0.818 5.345 4.527 -0.000 0.000 0.319 229 F C 0.241 176.066 175.800 0.041 0.000 1.129 229 F CA -1.441 56.582 58.000 0.038 0.000 1.109 229 F CB 1.276 40.308 39.000 0.053 0.000 1.262 229 F HN 0.402 nan 8.300 nan 0.000 0.534 230 V N 4.143 124.258 119.914 0.335 0.000 2.357 230 V HA 0.275 4.395 4.120 -0.000 0.000 0.284 230 V C 0.190 176.489 176.094 0.342 0.000 1.018 230 V CA -0.840 61.589 62.300 0.215 0.000 0.841 230 V CB 1.066 32.983 31.823 0.156 0.000 0.991 230 V HN 0.853 nan 8.190 nan 0.000 0.437 231 I N 4.506 125.233 120.570 0.262 0.000 2.696 231 I HA 0.551 4.721 4.170 -0.000 0.000 0.284 231 I C 0.489 176.718 176.117 0.186 0.000 1.129 231 I CA 0.465 61.919 61.300 0.255 0.000 1.410 231 I CB 0.987 39.084 38.000 0.162 0.000 1.399 231 I HN 0.789 nan 8.210 nan 0.000 0.579 232 A N 4.688 127.556 122.820 0.080 0.000 2.566 232 A HA 0.866 5.186 4.320 -0.000 0.000 0.292 232 A C -0.644 176.905 177.584 -0.059 0.000 1.112 232 A CA -0.135 51.903 52.037 0.003 0.000 0.707 232 A CB 1.382 20.388 19.000 0.009 0.000 1.302 232 A HN 0.832 nan 8.150 nan 0.000 0.409 233 G N -1.644 107.073 108.800 -0.138 0.000 2.730 233 G HA2 0.936 4.896 3.960 -0.000 0.000 0.289 233 G HA3 0.936 4.896 3.960 -0.000 0.000 0.289 233 G C -0.016 174.713 174.900 -0.285 0.000 1.341 233 G CA -0.252 44.769 45.100 -0.131 0.000 0.932 233 G HN 2.299 nan 8.290 nan 0.000 0.481 234 G N -2.068 106.521 108.800 -0.351 0.000 2.320 234 G HA2 0.601 4.561 3.960 -0.000 0.000 0.274 234 G HA3 0.601 4.561 3.960 -0.000 0.000 0.274 234 G C -0.314 174.499 174.900 -0.144 0.000 1.324 234 G CA 0.196 44.932 45.100 -0.606 0.000 0.957 234 G HN 1.970 nan 8.290 nan 0.000 0.481 235 G N -1.836 106.904 108.800 -0.100 0.000 2.684 235 G HA2 1.020 4.980 3.960 -0.000 0.000 0.290 235 G HA3 1.020 4.980 3.960 -0.000 0.000 0.290 235 G C -0.351 174.530 174.900 -0.032 0.000 1.425 235 G CA 0.338 45.452 45.100 0.022 0.000 0.822 235 G HN 2.087 nan 8.290 nan 0.000 0.482 236 G N -0.744 108.035 108.800 -0.034 0.000 2.673 236 G HA2 0.622 4.582 3.960 -0.000 0.000 0.292 236 G HA3 0.622 4.582 3.960 -0.000 0.000 0.292 236 G C -1.376 173.483 174.900 -0.069 0.000 1.450 236 G CA -0.627 44.428 45.100 -0.074 0.000 0.837 236 G HN 0.560 nan 8.290 nan 0.000 0.505 237 M N 0.777 120.327 119.600 -0.084 0.000 2.365 237 M HA 0.492 4.972 4.480 -0.000 0.000 0.287 237 M C -0.376 175.875 176.300 -0.082 0.000 1.154 237 M CA -0.846 54.407 55.300 -0.077 0.000 0.941 237 M CB 1.409 33.952 32.600 -0.095 0.000 1.704 237 M HN 0.953 nan 8.290 nan 0.000 0.479 238 V N 0.391 120.260 119.914 -0.075 0.000 2.864 238 V HA 0.865 4.985 4.120 -0.000 0.000 0.314 238 V C -0.620 175.430 176.094 -0.073 0.000 1.073 238 V CA -0.853 61.393 62.300 -0.090 0.000 0.956 238 V CB 2.038 33.783 31.823 -0.130 0.000 1.023 238 V HN 0.546 nan 8.190 nan 0.000 0.435 239 V N 3.854 123.712 119.914 -0.093 0.000 2.348 239 V HA 0.356 4.476 4.120 -0.000 0.000 0.270 239 V C 0.152 176.125 176.094 -0.201 0.000 1.037 239 V CA -0.323 61.847 62.300 -0.217 0.000 0.872 239 V CB 1.012 32.728 31.823 -0.177 0.000 1.002 239 V HN 0.734 nan 8.190 nan 0.000 0.464 240 V N 5.118 124.882 119.914 -0.252 0.000 2.383 240 V HA 0.477 4.597 4.120 -0.000 0.000 0.275 240 V C 0.047 176.011 176.094 -0.216 0.000 1.036 240 V CA -0.313 61.873 62.300 -0.191 0.000 0.889 240 V CB 1.363 33.081 31.823 -0.175 0.000 0.985 240 V HN 0.971 nan 8.190 nan 0.000 0.459 241 E N 2.798 122.908 120.200 -0.150 0.000 2.314 241 E HA 0.321 4.671 4.350 -0.000 0.000 0.272 241 E C -0.766 175.783 176.600 -0.085 0.000 0.884 241 E CA -0.706 55.610 56.400 -0.140 0.000 0.753 241 E CB 1.775 31.422 29.700 -0.088 0.000 1.213 241 E HN 0.701 nan 8.360 nan 0.000 0.432 242 E N 3.833 123.980 120.200 -0.088 0.000 2.384 242 E HA -0.034 4.316 4.350 -0.000 0.000 0.266 242 E C 0.747 177.357 176.600 0.016 0.000 1.012 242 E CA -0.064 56.315 56.400 -0.036 0.000 0.901 242 E CB 1.116 30.792 29.700 -0.039 0.000 0.967 242 E HN 0.644 nan 8.360 nan 0.000 0.435 243 L N 5.581 126.808 121.223 0.006 0.000 1.989 243 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 243 L C 1.931 178.814 176.870 0.022 0.000 1.071 243 L CA 1.915 56.760 54.840 0.007 0.000 0.749 243 L CB -0.324 41.732 42.059 -0.004 0.000 0.890 243 L HN 0.552 nan 8.230 nan 0.000 0.431 244 E N -1.076 119.142 120.200 0.031 0.000 2.110 244 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 244 E C 2.184 178.808 176.600 0.040 0.000 0.988 244 E CA 1.319 57.735 56.400 0.026 0.000 0.804 244 E CB -0.636 29.079 29.700 0.025 0.000 0.745 244 E HN 0.687 nan 8.360 nan 0.000 0.458 245 H N 0.581 119.636 119.070 -0.025 0.000 2.353 245 H HA -0.024 4.532 4.556 -0.000 0.000 0.300 245 H C 1.869 177.181 175.328 -0.027 0.000 1.090 245 H CA 1.656 57.689 56.048 -0.025 0.000 1.327 245 H CB 0.240 29.983 29.762 -0.032 0.000 1.383 245 H HN 0.127 nan 8.280 nan 0.000 0.508 246 A N 1.068 123.949 122.820 0.102 0.000 1.873 246 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 246 A C 2.837 180.408 177.584 -0.023 0.000 1.186 246 A CA 1.154 53.215 52.037 0.038 0.000 0.616 246 A CB -0.824 18.191 19.000 0.025 0.000 0.823 246 A HN 0.402 nan 8.150 nan 0.000 0.442 247 L N -0.780 120.428 121.223 -0.024 0.000 2.093 247 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 247 L C 3.067 179.907 176.870 -0.050 0.000 1.085 247 L CA 0.926 55.745 54.840 -0.035 0.000 0.755 247 L CB -0.517 41.526 42.059 -0.027 0.000 0.904 247 L HN 0.432 nan 8.230 nan 0.000 0.435 248 A N 1.095 123.871 122.820 -0.072 0.000 1.940 248 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 248 A C 2.253 179.777 177.584 -0.100 0.000 1.176 248 A CA 1.810 53.793 52.037 -0.090 0.000 0.631 248 A CB -0.505 18.422 19.000 -0.120 0.000 0.814 248 A HN 0.580 nan 8.150 nan 0.000 0.446 249 R N -1.428 118.998 120.500 -0.123 0.000 2.334 249 R HA 0.352 4.692 4.340 -0.000 0.000 0.216 249 R C 0.986 177.258 176.300 -0.047 0.000 0.905 249 R CA 0.670 56.713 56.100 -0.095 0.000 1.064 249 R CB -0.538 29.688 30.300 -0.124 0.000 1.046 249 R HN 0.763 nan 8.270 nan 0.000 0.508 250 G N 0.817 109.593 108.800 -0.040 0.000 2.176 250 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.252 250 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.252 250 G C 0.318 175.214 174.900 -0.008 0.000 1.024 250 G CA 0.090 45.177 45.100 -0.022 0.000 0.755 250 G HN 0.712 nan 8.290 nan 0.000 0.507 251 A N 0.245 123.060 122.820 -0.008 0.000 2.520 251 A HA 0.449 4.769 4.320 -0.000 0.000 0.235 251 A C 0.743 178.331 177.584 0.007 0.000 1.065 251 A CA 0.355 52.399 52.037 0.011 0.000 0.764 251 A CB 0.129 19.136 19.000 0.011 0.000 1.002 251 A HN 1.001 nan 8.150 nan 0.000 0.502 252 H N 2.229 121.255 119.070 -0.073 0.000 2.819 252 H HA 0.359 4.915 4.556 -0.000 0.000 0.303 252 H C -0.871 174.362 175.328 -0.158 0.000 1.058 252 H CA 0.069 56.033 56.048 -0.140 0.000 1.471 252 H CB 0.278 29.920 29.762 -0.201 0.000 1.480 252 H HN 0.484 nan 8.280 nan 0.000 0.517 253 I N 6.753 126.917 120.570 -0.677 0.000 2.339 253 I HA -0.013 4.157 4.170 -0.000 0.000 0.290 253 I C 0.222 175.958 176.117 -0.634 0.000 0.994 253 I CA -0.602 60.420 61.300 -0.464 0.000 1.191 253 I CB 1.108 38.976 38.000 -0.221 0.000 1.343 253 I HN 0.654 nan 8.210 nan 0.000 0.458 254 Y N 5.017 125.120 120.300 -0.328 0.000 2.153 254 Y HA 0.199 4.749 4.550 -0.000 0.000 0.289 254 Y C 1.258 177.081 175.900 -0.128 0.000 1.127 254 Y CA 1.015 59.007 58.100 -0.179 0.000 1.131 254 Y CB 0.087 38.519 38.460 -0.046 0.000 0.995 254 Y HN 0.660 nan 8.280 nan 0.000 0.505 255 A N -0.745 122.113 122.820 0.063 0.000 2.597 255 A HA 0.384 4.704 4.320 -0.000 0.000 0.292 255 A C -1.424 176.160 177.584 0.001 0.000 1.057 255 A CA -0.841 51.209 52.037 0.021 0.000 0.674 255 A CB 0.767 19.790 19.000 0.038 0.000 1.278 255 A HN 0.102 nan 8.150 nan 0.000 0.416 256 E N 0.968 121.164 120.200 -0.007 0.000 2.266 256 E HA 0.469 4.819 4.350 -0.000 0.000 0.277 256 E C -0.774 175.824 176.600 -0.003 0.000 1.018 256 E CA -0.695 55.700 56.400 -0.009 0.000 0.840 256 E CB 0.594 30.288 29.700 -0.009 0.000 1.082 256 E HN 0.456 nan 8.360 nan 0.000 0.395 257 I N 6.518 127.083 120.570 -0.009 0.000 2.294 257 I HA -0.018 4.152 4.170 -0.000 0.000 0.295 257 I C 1.101 177.229 176.117 0.020 0.000 1.098 257 I CA 0.139 61.439 61.300 -0.001 0.000 1.277 257 I CB 0.378 38.365 38.000 -0.022 0.000 1.434 257 I HN 0.479 nan 8.210 nan 0.000 0.498 258 V N 3.428 123.360 119.914 0.030 0.000 3.650 258 V HA 0.554 4.674 4.120 -0.000 0.000 0.271 258 V C 0.745 176.873 176.094 0.058 0.000 1.281 258 V CA 0.327 62.648 62.300 0.035 0.000 1.120 258 V CB 0.103 31.940 31.823 0.024 0.000 0.856 258 V HN 0.682 nan 8.190 nan 0.000 0.443 259 G N -0.565 108.283 108.800 0.079 0.000 2.733 259 G HA2 0.544 4.504 3.960 -0.000 0.000 0.297 259 G HA3 0.544 4.504 3.960 -0.000 0.000 0.297 259 G C -2.324 172.685 174.900 0.181 0.000 1.422 259 G CA -0.593 44.574 45.100 0.112 0.000 0.942 259 G HN 0.341 nan 8.290 nan 0.000 0.510 260 Y N 1.135 121.454 120.300 0.031 0.000 2.330 260 Y HA 0.670 5.220 4.550 -0.000 0.000 0.324 260 Y C -0.140 175.785 175.900 0.043 0.000 1.093 260 Y CA -1.244 56.873 58.100 0.029 0.000 1.103 260 Y CB 1.635 40.113 38.460 0.029 0.000 1.183 260 Y HN 0.846 nan 8.280 nan 0.000 0.433 261 G N 3.144 111.852 108.800 -0.153 0.000 2.388 261 G HA2 0.757 4.717 3.960 -0.000 0.000 0.330 261 G HA3 0.757 4.717 3.960 -0.000 0.000 0.330 261 G C -1.598 173.096 174.900 -0.342 0.000 1.142 261 G CA -0.533 44.412 45.100 -0.260 0.000 0.908 261 G HN 1.163 nan 8.290 nan 0.000 0.473 262 A N 1.486 124.122 122.820 -0.308 0.000 2.429 262 A HA 0.875 5.195 4.320 -0.000 0.000 0.289 262 A C -0.055 177.515 177.584 -0.024 0.000 1.043 262 A CA -0.029 51.975 52.037 -0.056 0.000 0.722 262 A CB 1.401 20.370 19.000 -0.052 0.000 1.243 262 A HN 1.626 nan 8.150 nan 0.000 0.415 263 T N -1.502 113.085 114.554 0.056 0.000 2.696 263 T HA 0.867 5.217 4.350 -0.000 0.000 0.291 263 T C -0.381 174.343 174.700 0.039 0.000 1.095 263 T CA -0.352 61.757 62.100 0.014 0.000 1.026 263 T CB 1.624 70.484 68.868 -0.013 0.000 1.390 263 T HN 1.585 nan 8.240 nan 0.000 0.513 264 S N -1.050 114.654 115.700 0.008 0.000 2.540 264 S HA 0.470 4.940 4.470 -0.000 0.000 0.275 264 S C -0.322 174.273 174.600 -0.009 0.000 1.123 264 S CA -0.589 57.618 58.200 0.012 0.000 0.907 264 S CB 1.669 64.872 63.200 0.004 0.000 1.081 264 S HN 0.688 nan 8.310 nan 0.000 0.476 265 D N 2.717 123.113 120.400 -0.007 0.000 2.137 265 D HA 0.148 4.788 4.640 -0.000 0.000 0.202 265 D C 1.462 177.752 176.300 -0.016 0.000 0.970 265 D CA 1.489 55.475 54.000 -0.023 0.000 0.837 265 D CB -0.529 40.258 40.800 -0.021 0.000 0.981 265 D HN 1.070 nan 8.370 nan 0.000 0.475 266 G N 0.171 108.967 108.800 -0.006 0.000 2.323 266 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.292 266 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.292 266 G C 0.632 175.527 174.900 -0.008 0.000 1.040 266 G CA 0.900 45.996 45.100 -0.007 0.000 0.942 266 G HN 0.623 nan 8.290 nan 0.000 0.506 267 A N -1.004 121.812 122.820 -0.006 0.000 1.714 267 A HA 0.615 4.934 4.320 -0.000 0.000 0.158 267 A C 0.170 177.750 177.584 -0.006 0.000 1.763 267 A CA 0.814 52.846 52.037 -0.008 0.000 1.419 267 A CB 0.582 19.574 19.000 -0.012 0.000 1.113 267 A HN 0.303 nan 8.150 nan 0.000 0.895 268 D N -0.017 120.381 120.400 -0.003 0.000 2.350 268 D HA 0.439 5.079 4.640 -0.000 0.000 0.245 268 D C 0.693 176.986 176.300 -0.011 0.000 1.036 268 D CA -0.631 53.364 54.000 -0.009 0.000 0.848 268 D CB 1.447 42.243 40.800 -0.007 0.000 1.307 268 D HN 0.043 nan 8.370 nan 0.000 0.469 269 M N 0.995 120.573 119.600 -0.036 0.000 2.159 269 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 269 M C 1.673 177.898 176.300 -0.125 0.000 1.063 269 M CA 1.501 56.766 55.300 -0.058 0.000 1.110 269 M CB -0.289 32.263 32.600 -0.080 0.000 1.374 269 M HN 0.482 nan 8.290 nan 0.000 0.411 270 V N -4.493 115.311 119.914 -0.182 0.000 3.480 270 V HA 0.537 4.657 4.120 -0.000 0.000 0.263 270 V C 0.760 176.819 176.094 -0.058 0.000 1.442 270 V CA 0.070 62.134 62.300 -0.394 0.000 1.053 270 V CB -0.503 30.904 31.823 -0.694 0.000 0.846 270 V HN 0.137 nan 8.190 nan 0.000 0.440 271 A N 2.858 125.683 122.820 0.008 0.000 2.306 271 A HA 0.883 5.203 4.320 -0.000 0.000 0.314 271 A C -2.637 174.994 177.584 0.078 0.000 1.164 271 A CA -1.782 50.303 52.037 0.079 0.000 0.822 271 A CB 0.448 19.478 19.000 0.050 0.000 1.130 271 A HN 0.367 nan 8.150 nan 0.000 0.496 272 P HA 0.171 nan 4.420 nan 0.000 0.278 272 P C 0.625 177.920 177.300 -0.008 0.000 1.238 272 P CA -0.174 62.943 63.100 0.030 0.000 0.794 272 P CB 1.531 33.243 31.700 0.020 0.000 0.955 273 S N 1.095 116.768 115.700 -0.045 0.000 2.446 273 S HA 0.132 4.602 4.470 -0.000 0.000 0.225 273 S C 1.657 176.218 174.600 -0.064 0.000 1.016 273 S CA 0.985 59.158 58.200 -0.045 0.000 0.943 273 S CB -1.163 62.008 63.200 -0.047 0.000 0.786 273 S HN 0.732 nan 8.310 nan 0.000 0.508 274 G N 1.924 110.654 108.800 -0.116 0.000 2.640 274 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.226 274 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.226 274 G C 0.946 175.766 174.900 -0.133 0.000 1.222 274 G CA 0.587 45.611 45.100 -0.126 0.000 0.729 274 G HN 0.472 nan 8.290 nan 0.000 0.516 275 E N 1.758 121.901 120.200 -0.095 0.000 2.070 275 E HA -0.120 4.230 4.350 -0.000 0.000 0.197 275 E C 2.653 179.190 176.600 -0.104 0.000 1.004 275 E CA 2.455 58.805 56.400 -0.083 0.000 0.805 275 E CB -0.989 28.675 29.700 -0.059 0.000 0.744 275 E HN 0.675 nan 8.360 nan 0.000 0.451 276 G N 0.559 109.285 108.800 -0.123 0.000 2.408 276 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 276 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 276 G C 1.725 176.519 174.900 -0.177 0.000 1.150 276 G CA 1.251 46.277 45.100 -0.123 0.000 0.776 276 G HN 0.431 nan 8.290 nan 0.000 0.542 277 A N 0.190 122.816 122.820 -0.324 0.000 1.930 277 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 277 A C 2.592 180.075 177.584 -0.169 0.000 1.175 277 A CA 1.673 53.429 52.037 -0.468 0.000 0.627 277 A CB -0.582 17.862 19.000 -0.926 0.000 0.815 277 A HN 0.232 nan 8.150 nan 0.000 0.443 278 V N 0.148 119.980 119.914 -0.137 0.000 2.287 278 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 278 V C 2.651 178.700 176.094 -0.074 0.000 1.053 278 V CA 2.365 64.613 62.300 -0.086 0.000 1.027 278 V CB -0.807 30.968 31.823 -0.080 0.000 0.646 278 V HN 0.536 nan 8.190 nan 0.000 0.447 279 R N -1.155 119.301 120.500 -0.074 0.000 2.096 279 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 279 R C 2.394 178.666 176.300 -0.047 0.000 1.127 279 R CA 1.647 57.710 56.100 -0.062 0.000 0.968 279 R CB -0.862 29.401 30.300 -0.061 0.000 0.861 279 R HN 0.577 nan 8.270 nan 0.000 0.440 280 C N 0.726 120.011 119.300 -0.025 0.000 2.436 280 C HA -0.068 4.392 4.460 -0.000 0.000 0.277 280 C C 2.617 177.628 174.990 0.035 0.000 1.241 280 C CA 0.841 59.873 59.018 0.022 0.000 1.721 280 C CB -0.663 27.147 27.740 0.116 0.000 2.043 280 C HN 0.459 nan 8.230 nan 0.000 0.472 281 M N 0.166 119.798 119.600 0.053 0.000 2.117 281 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 281 M C 2.271 178.553 176.300 -0.031 0.000 1.065 281 M CA 1.858 57.181 55.300 0.038 0.000 1.114 281 M CB -0.470 32.155 32.600 0.042 0.000 1.361 281 M HN 0.376 nan 8.290 nan 0.000 0.408 282 K N 0.046 120.406 120.400 -0.068 0.000 2.063 282 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 282 K C 1.987 178.573 176.600 -0.024 0.000 1.048 282 K CA 1.549 57.794 56.287 -0.070 0.000 0.928 282 K CB -0.283 32.170 32.500 -0.078 0.000 0.713 282 K HN 0.363 nan 8.250 nan 0.000 0.442 283 M N 0.552 120.134 119.600 -0.031 0.000 2.117 283 M HA -0.145 4.335 4.480 -0.000 0.000 0.262 283 M C 2.063 178.369 176.300 0.010 0.000 1.065 283 M CA 1.720 57.001 55.300 -0.033 0.000 1.114 283 M CB -0.088 32.466 32.600 -0.077 0.000 1.361 283 M HN 0.171 nan 8.290 nan 0.000 0.408 284 A N 0.046 122.874 122.820 0.014 0.000 2.067 284 A HA -0.097 4.222 4.320 -0.000 0.000 0.219 284 A C 1.845 179.469 177.584 0.066 0.000 1.158 284 A CA 1.322 53.389 52.037 0.050 0.000 0.661 284 A CB -0.599 18.438 19.000 0.063 0.000 0.801 284 A HN 0.663 nan 8.150 nan 0.000 0.452 285 M N -1.344 118.288 119.600 0.052 0.000 2.428 285 M HA 0.095 4.575 4.480 -0.000 0.000 0.239 285 M C 0.428 176.764 176.300 0.061 0.000 1.121 285 M CA -0.170 55.158 55.300 0.046 0.000 1.019 285 M CB 0.047 32.649 32.600 0.003 0.000 1.485 285 M HN 0.467 nan 8.290 nan 0.000 0.484 286 H N 0.698 119.760 119.070 -0.012 0.000 3.107 286 H HA 0.184 4.740 4.556 -0.000 0.000 0.301 286 H C 1.206 176.534 175.328 0.000 0.000 0.981 286 H CA 1.492 57.533 56.048 -0.011 0.000 1.443 286 H CB 0.220 29.974 29.762 -0.015 0.000 1.479 286 H HN 0.493 nan 8.280 nan 0.000 0.564 287 G N 3.390 111.924 108.800 -0.443 0.000 2.168 287 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.263 287 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.263 287 G C -0.076 174.753 174.900 -0.118 0.000 0.977 287 G CA 0.446 45.361 45.100 -0.308 0.000 0.659 287 G HN 0.648 nan 8.290 nan 0.000 0.533 288 V N 1.375 121.251 119.914 -0.063 0.000 2.334 288 V HA 0.341 4.461 4.120 -0.000 0.000 0.267 288 V C 0.399 176.487 176.094 -0.009 0.000 1.040 288 V CA -0.101 62.190 62.300 -0.015 0.000 0.866 288 V CB 1.430 33.265 31.823 0.021 0.000 1.019 288 V HN 0.241 nan 8.190 nan 0.000 0.468 289 D N 2.130 122.523 120.400 -0.012 0.000 2.398 289 D HA 0.067 4.707 4.640 -0.000 0.000 0.210 289 D C 1.096 177.402 176.300 0.011 0.000 1.094 289 D CA 0.255 54.252 54.000 -0.005 0.000 0.839 289 D CB 0.881 41.670 40.800 -0.019 0.000 0.963 289 D HN 0.667 nan 8.370 nan 0.000 0.506 290 T N 0.132 114.696 114.554 0.017 0.000 2.909 290 T HA 0.444 4.794 4.350 -0.000 0.000 0.286 290 T C -2.366 172.360 174.700 0.043 0.000 1.002 290 T CA -1.572 60.543 62.100 0.024 0.000 1.074 290 T CB 1.947 70.826 68.868 0.019 0.000 0.984 290 T HN -0.177 nan 8.240 nan 0.000 0.495 291 P HA 0.258 nan 4.420 nan 0.000 0.274 291 P C -0.350 176.979 177.300 0.049 0.000 1.231 291 P CA -0.691 62.443 63.100 0.057 0.000 0.790 291 P CB 0.477 32.198 31.700 0.035 0.000 0.951 292 I N 3.228 123.834 120.570 0.059 0.000 2.436 292 I HA -0.007 4.163 4.170 -0.000 0.000 0.289 292 I C 1.297 177.380 176.117 -0.058 0.000 1.083 292 I CA 0.471 61.771 61.300 0.000 0.000 1.372 292 I CB -0.234 37.748 38.000 -0.029 0.000 1.408 292 I HN 0.319 nan 8.210 nan 0.000 0.516 293 D N 5.269 125.664 120.400 -0.008 0.000 2.305 293 D HA -0.062 4.578 4.640 -0.000 0.000 0.206 293 D C 0.004 176.342 176.300 0.064 0.000 0.974 293 D CA 1.133 55.141 54.000 0.013 0.000 0.871 293 D CB 0.432 41.252 40.800 0.034 0.000 0.947 293 D HN 0.534 nan 8.370 nan 0.000 0.516 294 Y N 0.166 120.410 120.300 -0.093 0.000 2.480 294 Y HA 0.428 4.978 4.550 -0.000 0.000 0.329 294 Y C -2.192 173.656 175.900 -0.087 0.000 1.127 294 Y CA -1.083 56.960 58.100 -0.096 0.000 1.037 294 Y CB 1.135 39.540 38.460 -0.092 0.000 1.320 294 Y HN -0.234 nan 8.280 nan 0.000 0.446 295 L N 7.048 127.657 121.223 -1.023 0.000 2.343 295 L HA 0.492 4.832 4.340 -0.000 0.000 0.278 295 L C -1.042 175.218 176.870 -1.018 0.000 0.996 295 L CA -0.523 53.851 54.840 -0.777 0.000 0.831 295 L CB 0.935 42.754 42.059 -0.400 0.000 1.232 295 L HN 0.809 nan 8.230 nan 0.000 0.413 296 N N 3.585 121.846 118.700 -0.732 0.000 2.439 296 N HA 0.116 4.856 4.740 -0.000 0.000 0.243 296 N C -0.381 175.039 175.510 -0.151 0.000 1.088 296 N CA -0.224 52.645 53.050 -0.301 0.000 0.940 296 N CB 0.958 39.435 38.487 -0.018 0.000 1.180 296 N HN 0.710 nan 8.380 nan 0.000 0.505 297 S N 2.633 118.290 115.700 -0.073 0.000 2.600 297 S HA 0.006 4.476 4.470 -0.000 0.000 0.265 297 S C 1.312 175.885 174.600 -0.045 0.000 1.325 297 S CA -0.301 57.895 58.200 -0.007 0.000 1.002 297 S CB 1.263 64.544 63.200 0.136 0.000 0.921 297 S HN 0.753 nan 8.310 nan 0.000 0.554 298 H N 2.104 121.073 119.070 -0.169 0.000 2.326 298 H HA 0.123 4.679 4.556 -0.000 0.000 0.301 298 H C 1.521 176.734 175.328 -0.192 0.000 1.081 298 H CA 1.502 57.403 56.048 -0.246 0.000 1.334 298 H CB -1.086 28.497 29.762 -0.299 0.000 1.385 298 H HN 1.115 nan 8.280 nan 0.000 0.504 299 G N 0.716 109.408 108.800 -0.181 0.000 2.101 299 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.247 299 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.247 299 G C 0.947 175.593 174.900 -0.422 0.000 0.740 299 G CA 0.973 45.902 45.100 -0.285 0.000 1.130 299 G HN 0.828 nan 8.290 nan 0.000 0.342 300 T N -1.880 112.412 114.554 -0.436 0.000 3.100 300 T HA 0.421 4.770 4.350 -0.000 0.000 0.253 300 T C 1.298 175.929 174.700 -0.115 0.000 1.118 300 T CA 1.043 62.912 62.100 -0.385 0.000 1.058 300 T CB 0.350 68.957 68.868 -0.436 0.000 0.953 300 T HN 1.831 nan 8.240 nan 0.000 0.515 301 S N 0.818 116.441 115.700 -0.129 0.000 3.777 301 S HA -0.124 4.346 4.470 -0.000 0.000 0.296 301 S C 0.181 174.810 174.600 0.047 0.000 1.173 301 S CA 0.537 58.701 58.200 -0.061 0.000 0.824 301 S CB -2.122 61.056 63.200 -0.038 0.000 0.932 301 S HN 1.256 nan 8.310 nan 0.000 0.571 302 T N -0.924 113.672 114.554 0.071 0.000 2.859 302 T HA 0.687 5.037 4.350 -0.000 0.000 0.281 302 T C -1.428 173.335 174.700 0.105 0.000 1.005 302 T CA -1.671 60.510 62.100 0.135 0.000 1.025 302 T CB 1.715 70.713 68.868 0.216 0.000 0.977 302 T HN -0.057 nan 8.240 nan 0.000 0.458 303 P HA -0.135 nan 4.420 nan 0.000 0.214 303 P C 1.689 179.046 177.300 0.096 0.000 1.163 303 P CA 0.713 63.867 63.100 0.089 0.000 0.889 303 P CB -0.026 31.723 31.700 0.082 0.000 0.790 304 V N -0.527 119.453 119.914 0.109 0.000 2.379 304 V HA -0.100 4.020 4.120 -0.000 0.000 0.245 304 V C 2.566 178.737 176.094 0.127 0.000 1.044 304 V CA 2.422 64.786 62.300 0.107 0.000 1.036 304 V CB -1.848 30.036 31.823 0.102 0.000 0.664 304 V HN 0.182 nan 8.190 nan 0.000 0.453 305 G N -0.255 108.641 108.800 0.158 0.000 2.402 305 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 305 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 305 G C 1.202 176.214 174.900 0.187 0.000 1.162 305 G CA 1.014 46.230 45.100 0.194 0.000 0.777 305 G HN 0.489 nan 8.290 nan 0.000 0.539 306 D N 0.242 120.729 120.400 0.145 0.000 2.117 306 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 306 D C 2.911 179.367 176.300 0.259 0.000 0.987 306 D CA 1.687 55.786 54.000 0.165 0.000 0.829 306 D CB -0.465 40.380 40.800 0.075 0.000 0.961 306 D HN 0.361 nan 8.370 nan 0.000 0.460 307 V N -1.556 118.471 119.914 0.189 0.000 2.788 307 V HA 0.013 4.133 4.120 -0.000 0.000 0.251 307 V C 1.986 178.151 176.094 0.118 0.000 1.068 307 V CA 0.761 63.152 62.300 0.152 0.000 1.090 307 V CB -0.287 31.602 31.823 0.109 0.000 0.710 307 V HN -0.103 nan 8.190 nan 0.000 0.467 308 K N 1.096 121.564 120.400 0.113 0.000 2.026 308 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 308 K C 2.197 178.846 176.600 0.081 0.000 1.048 308 K CA 2.159 58.492 56.287 0.077 0.000 0.929 308 K CB -0.374 32.163 32.500 0.063 0.000 0.713 308 K HN 0.782 nan 8.250 nan 0.000 0.439 309 E N 0.830 121.122 120.200 0.153 0.000 2.106 309 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 309 E C 2.114 178.820 176.600 0.177 0.000 0.984 309 E CA 0.613 57.135 56.400 0.204 0.000 0.806 309 E CB 0.010 29.936 29.700 0.376 0.000 0.750 309 E HN 0.164 nan 8.360 nan 0.000 0.458 310 L N 0.475 121.797 121.223 0.164 0.000 2.079 310 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 310 L C 2.708 179.622 176.870 0.072 0.000 1.081 310 L CA 1.097 55.995 54.840 0.097 0.000 0.752 310 L CB -0.568 41.521 42.059 0.049 0.000 0.896 310 L HN 0.257 nan 8.230 nan 0.000 0.433 311 A N 0.023 122.882 122.820 0.064 0.000 1.902 311 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 311 A C 2.531 180.137 177.584 0.037 0.000 1.181 311 A CA 1.716 53.778 52.037 0.041 0.000 0.623 311 A CB -0.605 18.412 19.000 0.029 0.000 0.818 311 A HN 0.412 nan 8.150 nan 0.000 0.443 312 A N -0.067 122.775 122.820 0.036 0.000 1.898 312 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 312 A C 2.107 179.732 177.584 0.067 0.000 1.181 312 A CA 1.459 53.506 52.037 0.017 0.000 0.620 312 A CB -0.596 18.387 19.000 -0.029 0.000 0.819 312 A HN 0.497 nan 8.150 nan 0.000 0.442 313 I N -0.815 119.837 120.570 0.137 0.000 2.226 313 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 313 I C 2.779 179.043 176.117 0.244 0.000 1.100 313 I CA 1.406 62.856 61.300 0.250 0.000 1.374 313 I CB -0.360 37.771 38.000 0.218 0.000 1.057 313 I HN 0.296 nan 8.210 nan 0.000 0.413 314 R N 0.446 121.025 120.500 0.132 0.000 2.091 314 R HA -0.234 4.106 4.340 -0.000 0.000 0.238 314 R C 2.247 178.589 176.300 0.070 0.000 1.136 314 R CA 1.779 57.939 56.100 0.100 0.000 0.959 314 R CB -0.408 29.924 30.300 0.053 0.000 0.856 314 R HN 0.454 nan 8.270 nan 0.000 0.437 315 E N 0.567 120.786 120.200 0.032 0.000 2.077 315 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 315 E C 1.869 178.435 176.600 -0.056 0.000 0.989 315 E CA 1.251 57.645 56.400 -0.010 0.000 0.800 315 E CB 0.172 29.858 29.700 -0.024 0.000 0.746 315 E HN 0.090 nan 8.360 nan 0.000 0.452 316 V N -0.052 119.796 119.914 -0.110 0.000 2.358 316 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 316 V C 1.684 177.528 176.094 -0.417 0.000 1.047 316 V CA 1.670 63.767 62.300 -0.337 0.000 1.035 316 V CB -0.384 31.107 31.823 -0.553 0.000 0.658 316 V HN 0.299 nan 8.190 nan 0.000 0.452 317 F N -0.509 119.442 119.950 0.001 0.000 2.717 317 F HA 0.506 5.033 4.527 -0.000 0.000 0.295 317 F C 1.813 177.611 175.800 -0.003 0.000 1.117 317 F CA 0.485 58.484 58.000 -0.001 0.000 1.361 317 F CB -0.530 38.467 39.000 -0.005 0.000 1.112 317 F HN 0.255 nan 8.300 nan 0.000 0.594 318 G N 1.031 109.917 108.800 0.142 0.000 2.634 318 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.309 318 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.309 318 G C 0.740 175.692 174.900 0.086 0.000 1.265 318 G CA 0.724 45.874 45.100 0.084 0.000 0.998 318 G HN 0.244 nan 8.290 nan 0.000 0.551 319 D N 1.935 122.370 120.400 0.059 0.000 2.378 319 D HA 0.290 4.930 4.640 -0.000 0.000 0.227 319 D C 1.798 178.125 176.300 0.044 0.000 1.012 319 D CA 1.729 55.754 54.000 0.042 0.000 0.905 319 D CB -0.101 40.716 40.800 0.029 0.000 0.895 319 D HN 0.863 nan 8.370 nan 0.000 0.532 320 K N 0.987 121.432 120.400 0.075 0.000 2.724 320 K HA 0.360 4.680 4.320 -0.000 0.000 0.198 320 K C 0.180 176.819 176.600 0.065 0.000 1.099 320 K CA -0.616 55.709 56.287 0.063 0.000 1.025 320 K CB -0.225 32.320 32.500 0.076 0.000 1.509 320 K HN 0.102 nan 8.250 nan 0.000 0.564 321 S N 1.258 116.958 115.700 0.000 0.000 2.585 321 S HA 0.737 5.207 4.470 -0.000 0.000 0.277 321 S C -1.960 172.482 174.600 -0.264 0.000 1.241 321 S CA -1.073 57.043 58.200 -0.141 0.000 1.041 321 S CB 1.274 64.439 63.200 -0.059 0.000 0.987 321 S HN 0.467 nan 8.310 nan 0.000 0.512 322 P HA 0.413 nan 4.420 nan 0.000 0.278 322 P C -0.579 176.595 177.300 -0.210 0.000 1.266 322 P CA -0.646 62.242 63.100 -0.353 0.000 0.807 322 P CB 0.459 31.849 31.700 -0.517 0.000 1.094 323 A N 1.063 123.820 122.820 -0.105 0.000 2.511 323 A HA 0.357 4.677 4.320 -0.000 0.000 0.242 323 A C 0.245 177.808 177.584 -0.037 0.000 1.069 323 A CA 0.164 52.193 52.037 -0.014 0.000 0.763 323 A CB -0.863 18.191 19.000 0.090 0.000 1.001 323 A HN 0.463 nan 8.150 nan 0.000 0.498 324 I N 1.726 122.285 120.570 -0.018 0.000 2.545 324 I HA 0.502 4.672 4.170 -0.000 0.000 0.292 324 I C 0.135 176.320 176.117 0.113 0.000 1.040 324 I CA -0.144 61.119 61.300 -0.062 0.000 1.068 324 I CB 2.529 40.466 38.000 -0.105 0.000 1.251 324 I HN 0.780 nan 8.210 nan 0.000 0.424 325 S N 3.759 119.575 115.700 0.193 0.000 2.556 325 S HA 0.869 5.339 4.470 -0.000 0.000 0.271 325 S C -0.948 173.776 174.600 0.207 0.000 1.135 325 S CA -0.857 57.492 58.200 0.248 0.000 0.858 325 S CB 2.049 65.409 63.200 0.266 0.000 1.114 325 S HN 0.746 nan 8.310 nan 0.000 0.468 326 A N 1.746 124.676 122.820 0.182 0.000 2.322 326 A HA 0.584 4.904 4.320 -0.000 0.000 0.327 326 A C 1.101 178.693 177.584 0.012 0.000 1.394 326 A CA -0.246 51.823 52.037 0.053 0.000 0.921 326 A CB -0.256 18.685 19.000 -0.098 0.000 1.153 326 A HN 1.233 nan 8.150 nan 0.000 0.523 327 T N -0.073 114.500 114.554 0.032 0.000 3.035 327 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 327 T C 1.346 176.020 174.700 -0.042 0.000 1.109 327 T CA 1.148 63.245 62.100 -0.005 0.000 1.119 327 T CB -0.300 68.574 68.868 0.010 0.000 0.900 327 T HN 0.630 nan 8.240 nan 0.000 0.503 328 K N 1.315 121.677 120.400 -0.063 0.000 2.280 328 K HA 0.133 4.453 4.320 -0.000 0.000 0.202 328 K C 2.634 179.192 176.600 -0.070 0.000 1.047 328 K CA 0.933 57.169 56.287 -0.085 0.000 0.942 328 K CB -0.381 32.010 32.500 -0.181 0.000 0.739 328 K HN 0.483 nan 8.250 nan 0.000 0.457 329 A N 1.091 123.864 122.820 -0.080 0.000 1.972 329 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 329 A C 2.029 179.585 177.584 -0.047 0.000 1.169 329 A CA 1.436 53.433 52.037 -0.066 0.000 0.635 329 A CB -0.321 18.641 19.000 -0.064 0.000 0.810 329 A HN 0.202 nan 8.150 nan 0.000 0.446 330 M N -1.134 118.434 119.600 -0.053 0.000 2.325 330 M HA -0.047 4.433 4.480 -0.000 0.000 0.265 330 M C 2.286 178.558 176.300 -0.045 0.000 1.094 330 M CA 1.740 57.005 55.300 -0.057 0.000 1.161 330 M CB -0.176 32.367 32.600 -0.095 0.000 1.358 330 M HN 0.597 nan 8.290 nan 0.000 0.446 331 T N -2.510 112.017 114.554 -0.045 0.000 3.037 331 T HA 0.434 4.783 4.350 -0.000 0.000 0.251 331 T C 1.066 175.780 174.700 0.024 0.000 1.079 331 T CA 0.358 62.449 62.100 -0.016 0.000 1.067 331 T CB -0.101 68.779 68.868 0.020 0.000 0.948 331 T HN 0.548 nan 8.240 nan 0.000 0.496 332 G N 1.259 110.078 108.800 0.032 0.000 2.828 332 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.463 332 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.463 332 G C -0.819 174.131 174.900 0.084 0.000 1.394 332 G CA -0.253 44.895 45.100 0.080 0.000 0.862 332 G HN 0.862 nan 8.290 nan 0.000 0.540 333 H N 0.499 119.549 119.070 -0.033 0.000 2.623 333 H HA 0.613 5.169 4.556 -0.000 0.000 0.299 333 H C 1.454 176.681 175.328 -0.169 0.000 1.052 333 H CA -0.136 55.798 56.048 -0.190 0.000 1.231 333 H CB 0.682 30.161 29.762 -0.472 0.000 1.389 333 H HN 0.867 nan 8.280 nan 0.000 0.469 334 S N 4.765 120.532 115.700 0.112 0.000 2.660 334 S HA 0.170 4.640 4.470 -0.000 0.000 0.227 334 S C 1.170 175.714 174.600 -0.093 0.000 0.948 334 S CA -0.026 58.158 58.200 -0.027 0.000 0.948 334 S CB -0.558 62.631 63.200 -0.019 0.000 0.779 334 S HN 0.726 nan 8.310 nan 0.000 0.487 335 L N -0.297 120.782 121.223 -0.240 0.000 5.712 335 L HA -0.335 4.005 4.340 -0.000 0.000 0.053 335 L C 2.227 179.052 176.870 -0.074 0.000 2.787 335 L CA 1.324 55.955 54.840 -0.349 0.000 1.527 335 L CB -2.014 39.835 42.059 -0.350 0.000 2.908 335 L HN 0.418 nan 8.230 nan 0.000 0.994 336 G N -0.981 107.795 108.800 -0.039 0.000 2.485 336 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.221 336 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.221 336 G C 1.268 176.169 174.900 0.002 0.000 1.115 336 G CA 1.503 46.608 45.100 0.009 0.000 0.751 336 G HN 0.887 nan 8.290 nan 0.000 0.567 337 A N 0.369 123.184 122.820 -0.009 0.000 2.178 337 A HA 0.612 4.931 4.320 -0.000 0.000 0.211 337 A C 2.592 180.143 177.584 -0.055 0.000 1.157 337 A CA 1.367 53.389 52.037 -0.026 0.000 0.780 337 A CB -0.257 18.728 19.000 -0.024 0.000 0.828 337 A HN 0.573 nan 8.150 nan 0.000 0.476 338 A N 0.022 122.825 122.820 -0.029 0.000 1.902 338 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 338 A C 2.333 179.853 177.584 -0.107 0.000 1.181 338 A CA 1.821 53.832 52.037 -0.043 0.000 0.623 338 A CB -1.252 17.762 19.000 0.023 0.000 0.818 338 A HN 0.642 nan 8.150 nan 0.000 0.443 339 G N -0.845 107.899 108.800 -0.094 0.000 2.446 339 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 339 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 339 G C 1.651 176.457 174.900 -0.157 0.000 1.168 339 G CA 1.302 46.326 45.100 -0.126 0.000 0.771 339 G HN 0.548 nan 8.290 nan 0.000 0.551 340 V N 0.152 119.977 119.914 -0.149 0.000 2.453 340 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 340 V C 2.754 178.689 176.094 -0.265 0.000 1.048 340 V CA 2.458 64.654 62.300 -0.174 0.000 1.049 340 V CB -0.264 31.481 31.823 -0.130 0.000 0.672 340 V HN 0.506 nan 8.190 nan 0.000 0.457 341 Q N -0.398 119.216 119.800 -0.311 0.000 2.084 341 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 341 Q C 2.147 177.551 176.000 -0.995 0.000 0.978 341 Q CA 2.244 57.701 55.803 -0.576 0.000 0.844 341 Q CB -0.134 28.341 28.738 -0.438 0.000 0.898 341 Q HN 0.728 nan 8.270 nan 0.000 0.426 342 E N 0.320 120.171 120.200 -0.583 0.000 2.158 342 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 342 E C 1.931 178.392 176.600 -0.231 0.000 0.982 342 E CA 0.626 56.800 56.400 -0.377 0.000 0.823 342 E CB -0.044 29.585 29.700 -0.118 0.000 0.766 342 E HN 0.328 nan 8.360 nan 0.000 0.468 343 A N 1.329 124.013 122.820 -0.226 0.000 1.883 343 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 343 A C 2.174 179.656 177.584 -0.170 0.000 1.186 343 A CA 1.179 53.120 52.037 -0.159 0.000 0.624 343 A CB -0.609 18.298 19.000 -0.155 0.000 0.822 343 A HN 0.149 nan 8.150 nan 0.000 0.444 344 I N -1.521 118.889 120.570 -0.268 0.000 2.179 344 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 344 I C 2.390 178.463 176.117 -0.074 0.000 1.088 344 I CA 1.360 62.523 61.300 -0.227 0.000 1.357 344 I CB -0.487 37.353 38.000 -0.267 0.000 1.051 344 I HN 0.399 nan 8.210 nan 0.000 0.409 345 Y N 0.776 121.057 120.300 -0.032 0.000 2.165 345 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 345 Y C 2.946 178.827 175.900 -0.032 0.000 1.155 345 Y CA 0.912 59.005 58.100 -0.012 0.000 1.164 345 Y CB -1.476 36.984 38.460 0.001 0.000 0.978 345 Y HN 0.107 nan 8.280 nan 0.000 0.513 346 S N 0.148 115.926 115.700 0.129 0.000 2.368 346 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 346 S C 2.172 176.788 174.600 0.028 0.000 1.030 346 S CA 1.238 59.499 58.200 0.102 0.000 0.999 346 S CB -0.667 62.599 63.200 0.111 0.000 0.844 346 S HN 0.356 nan 8.310 nan 0.000 0.459 347 L N 0.926 122.151 121.223 0.003 0.000 2.083 347 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 347 L C 2.181 179.093 176.870 0.070 0.000 1.083 347 L CA 0.894 55.736 54.840 0.002 0.000 0.752 347 L CB -0.531 41.461 42.059 -0.111 0.000 0.899 347 L HN 0.282 nan 8.230 nan 0.000 0.433 348 L N -1.150 120.133 121.223 0.101 0.000 2.056 348 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 348 L C 2.650 179.644 176.870 0.206 0.000 1.078 348 L CA 1.226 56.226 54.840 0.267 0.000 0.749 348 L CB -0.367 41.879 42.059 0.311 0.000 0.901 348 L HN 0.278 nan 8.230 nan 0.000 0.433 349 M N -0.823 118.685 119.600 -0.153 0.000 2.108 349 M HA -0.256 4.224 4.480 -0.000 0.000 0.261 349 M C 2.312 178.466 176.300 -0.243 0.000 1.066 349 M CA 1.655 56.595 55.300 -0.600 0.000 1.107 349 M CB -0.395 31.716 32.600 -0.814 0.000 1.356 349 M HN 0.216 nan 8.290 nan 0.000 0.406 350 L N 0.501 121.669 121.223 -0.090 0.000 2.056 350 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 350 L C 2.267 179.140 176.870 0.005 0.000 1.078 350 L CA 2.007 56.833 54.840 -0.024 0.000 0.749 350 L CB -0.597 41.472 42.059 0.017 0.000 0.901 350 L HN 0.222 nan 8.230 nan 0.000 0.433 351 E N -1.537 118.680 120.200 0.028 0.000 2.107 351 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 351 E C 1.779 178.248 176.600 -0.218 0.000 0.982 351 E CA 1.371 57.725 56.400 -0.077 0.000 0.809 351 E CB -0.056 29.616 29.700 -0.048 0.000 0.756 351 E HN 0.608 nan 8.360 nan 0.000 0.459 352 H N -1.395 117.780 119.070 0.175 0.000 2.586 352 H HA 0.288 4.844 4.556 -0.000 0.000 0.273 352 H C 0.585 176.060 175.328 0.245 0.000 0.997 352 H CA 0.593 56.776 56.048 0.226 0.000 1.177 352 H CB 0.829 30.784 29.762 0.322 0.000 1.471 352 H HN 0.262 nan 8.280 nan 0.000 0.538 353 G N 1.993 110.922 108.800 0.215 0.000 2.353 353 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.294 353 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.294 353 G C -0.286 174.744 174.900 0.217 0.000 1.077 353 G CA 0.634 45.816 45.100 0.137 0.000 1.098 353 G HN 0.464 nan 8.290 nan 0.000 0.511 354 F N -1.880 118.054 119.950 -0.027 0.000 2.686 354 F HA 0.823 5.350 4.527 -0.000 0.000 0.311 354 F C -0.825 174.877 175.800 -0.164 0.000 1.128 354 F CA -2.721 55.238 58.000 -0.068 0.000 0.946 354 F CB 1.084 40.056 39.000 -0.048 0.000 1.336 354 F HN 0.061 nan 8.300 nan 0.000 0.457 355 I N 2.690 123.112 120.570 -0.247 0.000 2.362 355 I HA 0.627 4.797 4.170 -0.000 0.000 0.289 355 I C 0.131 176.170 176.117 -0.130 0.000 0.994 355 I CA -1.056 59.970 61.300 -0.457 0.000 1.158 355 I CB 1.582 39.416 38.000 -0.277 0.000 1.315 355 I HN 0.958 nan 8.210 nan 0.000 0.451 356 A N 9.185 131.860 122.820 -0.241 0.000 2.425 356 A HA 0.526 4.846 4.320 -0.000 0.000 0.249 356 A C -2.348 175.255 177.584 0.031 0.000 1.084 356 A CA -1.153 50.919 52.037 0.058 0.000 0.781 356 A CB -0.288 18.734 19.000 0.036 0.000 1.019 356 A HN 0.418 nan 8.150 nan 0.000 0.490 357 P HA 0.117 nan 4.420 nan 0.000 0.275 357 P C -0.283 177.052 177.300 0.057 0.000 1.228 357 P CA -0.186 62.945 63.100 0.052 0.000 0.786 357 P CB 1.012 32.734 31.700 0.036 0.000 0.927 358 S N 2.348 118.097 115.700 0.082 0.000 2.411 358 S HA 0.313 4.783 4.470 -0.000 0.000 0.304 358 S C 0.690 175.327 174.600 0.061 0.000 1.098 358 S CA -0.683 57.573 58.200 0.093 0.000 1.068 358 S CB -1.357 61.947 63.200 0.173 0.000 1.032 358 S HN 0.312 nan 8.310 nan 0.000 0.511 359 I N 1.909 122.494 120.570 0.026 0.000 3.110 359 I HA 0.491 4.661 4.170 -0.000 0.000 0.314 359 I C 0.425 176.542 176.117 0.001 0.000 1.020 359 I CA -0.661 60.645 61.300 0.010 0.000 1.169 359 I CB 0.353 38.348 38.000 -0.008 0.000 1.437 359 I HN 0.469 nan 8.210 nan 0.000 0.595 360 N N 0.961 119.658 118.700 -0.006 0.000 2.741 360 N HA -0.174 4.566 4.740 -0.000 0.000 0.251 360 N C -0.544 174.964 175.510 -0.002 0.000 1.112 360 N CA 0.963 53.999 53.050 -0.023 0.000 0.750 360 N CB -1.536 36.910 38.487 -0.067 0.000 1.119 360 N HN 0.618 nan 8.380 nan 0.000 0.561 361 I N 1.371 121.959 120.570 0.031 0.000 2.256 361 I HA 0.040 4.210 4.170 -0.000 0.000 0.294 361 I C 1.439 177.588 176.117 0.054 0.000 1.127 361 I CA -0.045 61.289 61.300 0.057 0.000 1.247 361 I CB 0.339 38.391 38.000 0.086 0.000 1.460 361 I HN 0.041 nan 8.210 nan 0.000 0.511 362 E N 4.053 124.290 120.200 0.062 0.000 2.190 362 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 362 E C 0.523 177.175 176.600 0.086 0.000 0.978 362 E CA 0.532 56.973 56.400 0.069 0.000 0.839 362 E CB 0.496 30.240 29.700 0.073 0.000 0.787 362 E HN 0.547 nan 8.360 nan 0.000 0.473 363 E N 1.223 121.486 120.200 0.106 0.000 2.302 363 E HA 0.178 4.528 4.350 -0.000 0.000 0.263 363 E C -1.465 175.174 176.600 0.065 0.000 0.897 363 E CA -0.602 55.854 56.400 0.093 0.000 0.809 363 E CB 1.282 31.064 29.700 0.137 0.000 1.270 363 E HN -0.073 nan 8.360 nan 0.000 0.410 364 L N 4.172 125.426 121.223 0.053 0.000 2.453 364 L HA 0.122 4.461 4.340 -0.000 0.000 0.272 364 L C 0.214 177.104 176.870 0.034 0.000 1.182 364 L CA 0.420 55.290 54.840 0.050 0.000 0.858 364 L CB 0.728 42.806 42.059 0.031 0.000 1.120 364 L HN 0.568 nan 8.230 nan 0.000 0.474 365 D N 2.375 122.804 120.400 0.048 0.000 2.493 365 D HA -0.093 4.547 4.640 -0.000 0.000 0.240 365 D C 1.050 177.360 176.300 0.017 0.000 1.142 365 D CA 0.754 54.772 54.000 0.031 0.000 0.872 365 D CB 1.129 41.971 40.800 0.070 0.000 1.173 365 D HN 0.719 nan 8.370 nan 0.000 0.467 366 E N 2.834 123.039 120.200 0.008 0.000 2.160 366 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 366 E C 1.691 178.295 176.600 0.006 0.000 0.991 366 E CA 1.142 57.546 56.400 0.007 0.000 0.810 366 E CB -0.688 29.016 29.700 0.006 0.000 0.742 366 E HN 0.717 nan 8.360 nan 0.000 0.466 367 Q N -0.064 119.744 119.800 0.013 0.000 2.291 367 Q HA 0.054 4.394 4.340 -0.000 0.000 0.206 367 Q C 2.260 178.259 176.000 -0.002 0.000 0.976 367 Q CA 1.310 57.121 55.803 0.014 0.000 0.875 367 Q CB -0.259 28.497 28.738 0.030 0.000 0.927 367 Q HN 0.667 nan 8.270 nan 0.000 0.450 368 A N 0.522 123.332 122.820 -0.015 0.000 2.251 368 A HA 0.355 4.675 4.320 -0.000 0.000 0.209 368 A C 0.855 178.403 177.584 -0.061 0.000 1.187 368 A CA 0.162 52.160 52.037 -0.067 0.000 0.823 368 A CB -0.001 18.930 19.000 -0.115 0.000 0.846 368 A HN 0.259 nan 8.150 nan 0.000 0.486 369 A N -0.997 121.805 122.820 -0.030 0.000 2.540 369 A HA 0.436 4.756 4.320 -0.000 0.000 0.239 369 A C 1.672 179.240 177.584 -0.026 0.000 1.061 369 A CA 0.714 52.738 52.037 -0.023 0.000 0.758 369 A CB -0.501 18.494 19.000 -0.009 0.000 0.991 369 A HN 1.919 nan 8.150 nan 0.000 0.502 370 G N 0.987 109.771 108.800 -0.026 0.000 2.241 370 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 370 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 370 G C 0.214 175.093 174.900 -0.034 0.000 0.998 370 G CA 0.322 45.408 45.100 -0.023 0.000 0.621 370 G HN 0.806 nan 8.290 nan 0.000 0.519 371 L N 0.867 122.057 121.223 -0.055 0.000 2.395 371 L HA 0.306 4.646 4.340 -0.000 0.000 0.269 371 L C 1.092 177.916 176.870 -0.077 0.000 1.133 371 L CA -0.345 54.449 54.840 -0.075 0.000 0.812 371 L CB 0.967 42.956 42.059 -0.116 0.000 1.125 371 L HN 0.301 nan 8.230 nan 0.000 0.452 372 N N 3.194 121.849 118.700 -0.075 0.000 3.245 372 N HA 0.202 4.942 4.740 -0.000 0.000 0.296 372 N C -0.588 174.887 175.510 -0.058 0.000 1.254 372 N CA -0.396 52.621 53.050 -0.055 0.000 1.190 372 N CB 0.085 38.544 38.487 -0.047 0.000 1.460 372 N HN 0.443 nan 8.380 nan 0.000 0.538 373 I N 2.466 122.992 120.570 -0.072 0.000 2.379 373 I HA 0.060 4.230 4.170 -0.000 0.000 0.290 373 I C 0.139 176.259 176.117 0.005 0.000 1.063 373 I CA -0.543 60.721 61.300 -0.059 0.000 1.351 373 I CB 1.263 39.178 38.000 -0.141 0.000 1.410 373 I HN 0.017 nan 8.210 nan 0.000 0.505 374 V N 6.227 126.168 119.914 0.045 0.000 2.455 374 V HA 0.064 4.184 4.120 -0.000 0.000 0.273 374 V C 1.214 177.344 176.094 0.060 0.000 1.045 374 V CA 0.151 62.483 62.300 0.053 0.000 0.976 374 V CB 1.013 32.877 31.823 0.068 0.000 0.993 374 V HN 0.924 nan 8.190 nan 0.000 0.475 375 T N 0.520 115.101 114.554 0.045 0.000 3.044 375 T HA 0.303 4.653 4.350 -0.000 0.000 0.260 375 T C 0.301 175.022 174.700 0.034 0.000 1.019 375 T CA -0.209 61.918 62.100 0.045 0.000 0.921 375 T CB 0.360 69.252 68.868 0.040 0.000 1.053 375 T HN 0.534 nan 8.240 nan 0.000 0.533 376 E N 1.795 122.014 120.200 0.032 0.000 2.293 376 E HA 0.352 4.702 4.350 -0.000 0.000 0.270 376 E C -0.822 175.799 176.600 0.034 0.000 0.879 376 E CA -0.572 55.843 56.400 0.025 0.000 0.756 376 E CB 1.885 31.596 29.700 0.018 0.000 1.208 376 E HN 0.102 nan 8.360 nan 0.000 0.428 377 T N 2.200 116.775 114.554 0.035 0.000 2.849 377 T HA 0.107 4.457 4.350 -0.000 0.000 0.289 377 T C -0.079 174.658 174.700 0.061 0.000 1.010 377 T CA 0.699 62.837 62.100 0.064 0.000 1.161 377 T CB 0.021 68.905 68.868 0.026 0.000 0.989 377 T HN 0.248 nan 8.240 nan 0.000 0.523 378 T N 4.086 118.696 114.554 0.092 0.000 2.890 378 T HA 0.222 4.572 4.350 -0.000 0.000 0.295 378 T C -0.513 174.245 174.700 0.096 0.000 0.993 378 T CA -0.899 61.240 62.100 0.064 0.000 0.979 378 T CB 1.079 69.969 68.868 0.036 0.000 0.967 378 T HN 0.445 nan 8.240 nan 0.000 0.441 379 D N 2.890 123.340 120.400 0.083 0.000 2.425 379 D HA 0.356 4.996 4.640 -0.000 0.000 0.247 379 D C 0.404 176.740 176.300 0.060 0.000 1.147 379 D CA 0.345 54.402 54.000 0.096 0.000 0.879 379 D CB 0.782 41.621 40.800 0.064 0.000 1.179 379 D HN 0.395 nan 8.370 nan 0.000 0.456 380 R N 1.280 121.815 120.500 0.058 0.000 2.633 380 R HA 0.077 4.417 4.340 -0.000 0.000 0.255 380 R C -1.271 175.042 176.300 0.021 0.000 1.106 380 R CA -0.615 55.501 56.100 0.026 0.000 0.959 380 R CB 1.288 31.591 30.300 0.006 0.000 1.259 380 R HN 0.360 nan 8.270 nan 0.000 0.453 381 E N 5.412 125.622 120.200 0.018 0.000 2.104 381 E HA 0.161 4.511 4.350 -0.000 0.000 0.278 381 E C -0.814 175.790 176.600 0.005 0.000 1.127 381 E CA -0.195 56.214 56.400 0.014 0.000 0.897 381 E CB 0.509 30.217 29.700 0.014 0.000 1.043 381 E HN 0.357 nan 8.360 nan 0.000 0.410 382 L N 3.749 124.971 121.223 -0.003 0.000 2.360 382 L HA 0.325 4.664 4.340 -0.000 0.000 0.271 382 L C 0.887 177.761 176.870 0.006 0.000 1.057 382 L CA -0.489 54.351 54.840 -0.001 0.000 0.803 382 L CB 1.741 43.788 42.059 -0.020 0.000 1.207 382 L HN 0.587 nan 8.230 nan 0.000 0.445 383 T N -1.414 113.148 114.554 0.013 0.000 3.028 383 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 383 T C 0.225 174.937 174.700 0.019 0.000 0.979 383 T CA 0.292 62.399 62.100 0.012 0.000 1.004 383 T CB 0.692 69.566 68.868 0.010 0.000 1.120 383 T HN 0.600 nan 8.240 nan 0.000 0.482 384 T N 2.821 117.392 114.554 0.028 0.000 2.879 384 T HA 0.682 5.032 4.350 -0.000 0.000 0.290 384 T C -0.844 173.884 174.700 0.046 0.000 0.993 384 T CA -0.708 61.412 62.100 0.034 0.000 0.975 384 T CB 2.105 70.993 68.868 0.034 0.000 0.981 384 T HN 0.216 nan 8.240 nan 0.000 0.439 385 V N 1.020 120.964 119.914 0.050 0.000 2.914 385 V HA 0.860 4.980 4.120 -0.000 0.000 0.314 385 V C -0.690 175.416 176.094 0.020 0.000 1.084 385 V CA -1.221 61.115 62.300 0.060 0.000 0.963 385 V CB 2.145 34.053 31.823 0.142 0.000 1.025 385 V HN 0.984 nan 8.190 nan 0.000 0.432 386 M N 3.135 122.713 119.600 -0.036 0.000 2.465 386 M HA 0.755 5.235 4.480 -0.000 0.000 0.316 386 M C -0.897 175.348 176.300 -0.092 0.000 1.121 386 M CA -0.277 55.005 55.300 -0.031 0.000 0.934 386 M CB 2.135 34.746 32.600 0.017 0.000 1.692 386 M HN 0.995 nan 8.290 nan 0.000 0.444 387 S N 3.400 119.058 115.700 -0.070 0.000 2.647 387 S HA 0.576 5.046 4.470 -0.000 0.000 0.300 387 S C -1.427 173.084 174.600 -0.149 0.000 1.129 387 S CA -0.783 57.352 58.200 -0.108 0.000 1.029 387 S CB 0.956 64.106 63.200 -0.084 0.000 1.007 387 S HN 0.848 nan 8.310 nan 0.000 0.484 388 N N 2.099 120.660 118.700 -0.232 0.000 2.443 388 N HA 0.567 5.307 4.740 -0.000 0.000 0.295 388 N C -1.308 173.829 175.510 -0.623 0.000 1.076 388 N CA -0.402 52.344 53.050 -0.505 0.000 0.919 388 N CB 1.825 39.909 38.487 -0.672 0.000 1.176 388 N HN 0.490 nan 8.380 nan 0.000 0.487 389 S N 1.523 116.729 115.700 -0.825 0.000 2.776 389 S HA 0.485 4.955 4.470 -0.000 0.000 0.284 389 S C -1.346 172.852 174.600 -0.670 0.000 1.160 389 S CA -0.597 57.252 58.200 -0.585 0.000 1.051 389 S CB 0.186 63.208 63.200 -0.296 0.000 1.037 389 S HN 0.279 nan 8.310 nan 0.000 0.485 390 F N 1.793 121.316 119.950 -0.711 0.000 2.382 390 F HA 0.648 5.175 4.527 -0.000 0.000 0.361 390 F C 0.847 176.394 175.800 -0.421 0.000 1.109 390 F CA -1.005 56.674 58.000 -0.535 0.000 1.031 390 F CB 1.238 39.952 39.000 -0.477 0.000 1.234 390 F HN 0.612 nan 8.300 nan 0.000 0.445 391 G N 1.735 110.578 108.800 0.071 0.000 2.462 391 G HA2 0.487 4.447 3.960 -0.000 0.000 0.319 391 G HA3 0.487 4.447 3.960 -0.000 0.000 0.319 391 G C -0.702 174.379 174.900 0.301 0.000 1.171 391 G CA -0.526 44.658 45.100 0.140 0.000 0.920 391 G HN 0.209 nan 8.290 nan 0.000 0.499 392 F N 0.284 120.337 119.950 0.171 0.000 2.629 392 F HA 0.326 4.853 4.527 -0.000 0.000 0.369 392 F C 1.672 177.541 175.800 0.115 0.000 1.125 392 F CA 0.985 59.079 58.000 0.156 0.000 1.330 392 F CB 0.671 39.779 39.000 0.181 0.000 1.071 392 F HN 0.928 nan 8.300 nan 0.000 0.595 393 G N 0.984 109.939 108.800 0.259 0.000 2.157 393 G HA2 0.034 3.994 3.960 -0.000 0.000 0.239 393 G HA3 0.034 3.994 3.960 -0.000 0.000 0.239 393 G C 0.823 175.793 174.900 0.117 0.000 0.982 393 G CA 0.300 45.489 45.100 0.147 0.000 0.650 393 G HN 1.912 nan 8.290 nan 0.000 0.527 394 G N -1.081 107.799 108.800 0.134 0.000 2.272 394 G HA2 0.120 4.080 3.960 -0.000 0.000 0.280 394 G HA3 0.120 4.080 3.960 -0.000 0.000 0.280 394 G C 0.304 175.261 174.900 0.096 0.000 1.067 394 G CA 1.371 46.523 45.100 0.088 0.000 0.902 394 G HN 2.035 nan 8.290 nan 0.000 0.500 395 T N 0.223 114.867 114.554 0.150 0.000 2.770 395 T HA 0.596 4.946 4.350 -0.000 0.000 0.283 395 T C -0.157 174.697 174.700 0.256 0.000 0.988 395 T CA -0.680 61.535 62.100 0.192 0.000 0.957 395 T CB 0.428 69.424 68.868 0.213 0.000 0.930 395 T HN 0.299 nan 8.240 nan 0.000 0.443 396 N N 3.037 121.901 118.700 0.274 0.000 2.284 396 N HA 0.722 5.462 4.740 -0.000 0.000 0.300 396 N C -1.192 174.459 175.510 0.235 0.000 1.047 396 N CA -0.597 52.649 53.050 0.326 0.000 0.821 396 N CB 2.106 40.750 38.487 0.261 0.000 1.337 396 N HN 0.768 nan 8.380 nan 0.000 0.482 397 A N 0.793 123.644 122.820 0.051 0.000 2.449 397 A HA 0.788 5.108 4.320 -0.000 0.000 0.302 397 A C -0.771 176.785 177.584 -0.046 0.000 1.048 397 A CA -0.495 51.497 52.037 -0.076 0.000 0.708 397 A CB 1.372 20.100 19.000 -0.453 0.000 1.274 397 A HN 0.452 nan 8.150 nan 0.000 0.410 398 T N 2.095 116.677 114.554 0.047 0.000 2.916 398 T HA 0.603 4.953 4.350 -0.000 0.000 0.298 398 T C -0.887 173.874 174.700 0.102 0.000 1.031 398 T CA -0.242 61.877 62.100 0.032 0.000 0.993 398 T CB 0.936 69.851 68.868 0.078 0.000 1.045 398 T HN 0.496 nan 8.240 nan 0.000 0.454 399 L N 2.684 123.935 121.223 0.045 0.000 2.346 399 L HA 0.770 5.109 4.340 -0.000 0.000 0.276 399 L C -0.757 176.137 176.870 0.040 0.000 1.006 399 L CA -1.126 53.750 54.840 0.060 0.000 0.817 399 L CB 1.990 44.046 42.059 -0.004 0.000 1.272 399 L HN 0.330 nan 8.230 nan 0.000 0.421 400 V N 3.856 123.805 119.914 0.057 0.000 2.495 400 V HA 0.545 4.665 4.120 -0.000 0.000 0.298 400 V C -0.156 175.958 176.094 0.034 0.000 1.031 400 V CA -0.381 61.947 62.300 0.047 0.000 0.871 400 V CB 1.877 33.738 31.823 0.063 0.000 0.988 400 V HN 0.713 nan 8.190 nan 0.000 0.432 401 M N 4.987 124.603 119.600 0.026 0.000 2.395 401 M HA 0.650 5.130 4.480 -0.000 0.000 0.307 401 M C -0.630 175.683 176.300 0.023 0.000 1.091 401 M CA -0.374 54.937 55.300 0.018 0.000 0.919 401 M CB 2.628 35.233 32.600 0.009 0.000 1.662 401 M HN 0.559 nan 8.290 nan 0.000 0.440 402 R N 1.561 122.070 120.500 0.016 0.000 2.628 402 R HA 0.482 4.822 4.340 -0.000 0.000 0.288 402 R C -1.115 175.188 176.300 0.005 0.000 0.980 402 R CA -0.767 55.341 56.100 0.014 0.000 0.891 402 R CB 1.910 32.217 30.300 0.012 0.000 1.188 402 R HN 0.635 nan 8.270 nan 0.000 0.450 403 K N 3.108 123.509 120.400 0.003 0.000 2.414 403 K HA 0.150 4.470 4.320 -0.000 0.000 0.272 403 K C -0.313 176.275 176.600 -0.019 0.000 0.993 403 K CA 0.115 56.396 56.287 -0.011 0.000 0.964 403 K CB 0.584 33.078 32.500 -0.010 0.000 0.925 403 K HN 0.414 nan 8.250 nan 0.000 0.487 404 L N 2.896 124.098 121.223 -0.035 0.000 2.360 404 L HA 0.290 4.630 4.340 -0.000 0.000 0.271 404 L C 0.399 177.247 176.870 -0.036 0.000 1.057 404 L CA -1.025 53.794 54.840 -0.036 0.000 0.803 404 L CB 1.086 43.118 42.059 -0.046 0.000 1.207 404 L HN 0.407 nan 8.230 nan 0.000 0.445 405 K N 1.820 122.204 120.400 -0.028 0.000 2.401 405 K HA 0.272 4.592 4.320 -0.000 0.000 0.278 405 K C -0.231 176.351 176.600 -0.030 0.000 1.018 405 K CA 0.158 56.430 56.287 -0.025 0.000 0.981 405 K CB 0.641 33.130 32.500 -0.018 0.000 0.933 405 K HN 0.798 nan 8.250 nan 0.000 0.477 406 D N 0.000 120.383 120.400 -0.028 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.983 54.000 -0.028 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