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 1s1t_1_A DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKXXXXXXWR KLVDFRELNK RTQDFWEVQL GIPHPAGIKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFR KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPXKKHQ KEPPFLWMGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLXKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQLEKE PIVGAETFYV DGAANRETKL DATA SEQUENCE GKAGYVTNRG RQKVVTLTDT TNQKTELQAI YLALQDSGLE VNIVTDSQYA DATA SEQUENCE LGIIQAQPDQ SESELVNQII EQLIKKEKVY LAWVPAHKGI G 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.661 174.600 0.101 0.000 1.055 3 S CA 0.000 58.261 58.200 0.101 0.000 1.107 3 S CB 0.000 63.287 63.200 0.144 0.000 0.593 4 P HA 0.404 nan 4.420 nan 0.000 0.243 4 P C -0.877 176.563 177.300 0.233 0.000 1.672 4 P CA 0.057 63.223 63.100 0.109 0.000 1.000 4 P CB -0.548 31.151 31.700 -0.002 0.000 1.562 5 I N -0.501 120.205 120.570 0.225 0.000 2.353 5 I HA 0.280 4.468 4.170 0.029 0.000 0.293 5 I C 0.831 177.015 176.117 0.110 0.000 0.992 5 I CA -1.060 60.361 61.300 0.201 0.000 1.268 5 I CB 1.459 39.534 38.000 0.125 0.000 1.387 5 I HN -0.062 nan 8.210 nan 0.000 0.478 6 E N 4.326 124.579 120.200 0.088 0.000 2.392 6 E HA 0.093 4.460 4.350 0.029 0.000 0.264 6 E C -0.246 176.376 176.600 0.036 0.000 1.024 6 E CA -0.386 56.050 56.400 0.059 0.000 0.903 6 E CB 0.906 30.636 29.700 0.050 0.000 0.963 6 E HN 0.708 nan 8.360 nan 0.000 0.432 7 T N -0.141 114.438 114.554 0.041 0.000 2.882 7 T HA 0.322 4.690 4.350 0.029 0.000 0.287 7 T C 0.067 174.788 174.700 0.035 0.000 1.014 7 T CA -0.970 61.152 62.100 0.037 0.000 1.049 7 T CB 1.266 70.163 68.868 0.048 0.000 1.001 7 T HN 0.156 nan 8.240 nan 0.000 0.525 8 V N 4.054 123.991 119.914 0.039 0.000 2.394 8 V HA 0.375 4.512 4.120 0.029 0.000 0.282 8 V C -1.879 174.262 176.094 0.078 0.000 1.031 8 V CA -2.066 60.266 62.300 0.053 0.000 0.881 8 V CB 1.128 32.986 31.823 0.057 0.000 0.982 8 V HN 0.863 nan 8.190 nan 0.000 0.451 9 P HA 0.124 nan 4.420 nan 0.000 0.264 9 P C -0.654 176.707 177.300 0.100 0.000 1.229 9 P CA 0.295 63.446 63.100 0.085 0.000 0.780 9 P CB 0.795 32.534 31.700 0.065 0.000 0.808 10 V N 5.191 125.178 119.914 0.121 0.000 2.630 10 V HA 0.479 4.616 4.120 0.029 0.000 0.305 10 V C 0.499 176.724 176.094 0.219 0.000 1.046 10 V CA -0.446 61.914 62.300 0.100 0.000 0.934 10 V CB 1.952 33.717 31.823 -0.098 0.000 1.003 10 V HN 0.467 nan 8.190 nan 0.000 0.451 11 K N 2.560 123.070 120.400 0.182 0.000 2.512 11 K HA 0.648 4.986 4.320 0.029 0.000 0.263 11 K C -1.512 175.243 176.600 0.259 0.000 0.966 11 K CA -0.832 55.609 56.287 0.256 0.000 0.851 11 K CB 2.546 35.114 32.500 0.113 0.000 1.395 11 K HN 0.414 nan 8.250 nan 0.000 0.440 12 L N 2.100 123.440 121.223 0.195 0.000 2.375 12 L HA 0.297 4.654 4.340 0.029 0.000 0.271 12 L C 0.442 177.324 176.870 0.020 0.000 1.107 12 L CA -0.437 54.449 54.840 0.076 0.000 0.806 12 L CB 0.773 42.748 42.059 -0.141 0.000 1.146 12 L HN 0.453 nan 8.230 nan 0.000 0.447 13 K N 2.400 122.803 120.400 0.005 0.000 2.457 13 K HA -0.034 4.303 4.320 0.029 0.000 0.269 13 K C -2.172 174.423 176.600 -0.009 0.000 0.969 13 K CA -1.033 55.246 56.287 -0.012 0.000 0.921 13 K CB -0.126 32.369 32.500 -0.008 0.000 0.940 13 K HN 0.307 nan 8.250 nan 0.000 0.517 14 P HA -0.130 nan 4.420 nan 0.000 0.249 14 P C 0.140 177.441 177.300 0.002 0.000 1.140 14 P CA 1.254 64.353 63.100 -0.002 0.000 0.803 14 P CB -0.098 31.600 31.700 -0.003 0.000 0.745 15 G N 2.754 111.558 108.800 0.006 0.000 2.233 15 G HA2 -0.315 3.662 3.960 0.029 0.000 0.270 15 G HA3 -0.315 3.662 3.960 0.029 0.000 0.270 15 G C 0.228 175.133 174.900 0.008 0.000 1.011 15 G CA 0.038 45.145 45.100 0.011 0.000 0.762 15 G HN 0.424 nan 8.290 nan 0.000 0.511 16 M N -0.653 118.944 119.600 -0.006 0.000 2.471 16 M HA 0.508 5.005 4.480 0.029 0.000 0.309 16 M C 0.036 176.316 176.300 -0.033 0.000 1.186 16 M CA -0.645 54.648 55.300 -0.012 0.000 1.008 16 M CB 1.076 33.665 32.600 -0.020 0.000 1.551 16 M HN 0.146 nan 8.290 nan 0.000 0.477 17 D N -0.125 120.267 120.400 -0.014 0.000 2.269 17 D HA 0.493 5.150 4.640 0.029 0.000 0.244 17 D C -0.200 176.057 176.300 -0.072 0.000 0.992 17 D CA -0.118 53.887 54.000 0.009 0.000 0.894 17 D CB 1.531 42.410 40.800 0.132 0.000 1.248 17 D HN 0.657 nan 8.370 nan 0.000 0.468 18 G N 1.692 110.351 108.800 -0.235 0.000 2.630 18 G HA2 0.244 4.222 3.960 0.029 0.000 0.236 18 G HA3 0.244 4.222 3.960 0.029 0.000 0.236 18 G C -2.122 172.851 174.900 0.123 0.000 1.248 18 G CA -0.810 44.035 45.100 -0.426 0.000 0.844 18 G HN 0.474 nan 8.290 nan 0.000 0.588 19 P HA 0.180 nan 4.420 nan 0.000 0.269 19 P C -0.649 176.823 177.300 0.288 0.000 1.215 19 P CA 0.048 63.271 63.100 0.204 0.000 0.780 19 P CB 0.935 32.747 31.700 0.186 0.000 0.898 20 K N 0.711 121.223 120.400 0.188 0.000 3.209 20 K HA 0.235 4.572 4.320 0.029 0.000 0.202 20 K C -0.449 176.207 176.600 0.093 0.000 1.109 20 K CA -0.386 55.982 56.287 0.136 0.000 0.968 20 K CB 1.015 33.569 32.500 0.091 0.000 0.732 20 K HN 0.185 nan 8.250 nan 0.000 0.450 21 V N 2.318 122.296 119.914 0.106 0.000 2.530 21 V HA 0.195 4.332 4.120 0.029 0.000 0.282 21 V C -0.133 176.006 176.094 0.075 0.000 1.048 21 V CA -0.448 61.903 62.300 0.086 0.000 0.997 21 V CB 0.444 32.333 31.823 0.110 0.000 0.987 21 V HN 0.396 nan 8.190 nan 0.000 0.477 22 K N 4.747 125.173 120.400 0.043 0.000 2.382 22 K HA 0.238 4.575 4.320 0.029 0.000 0.275 22 K C -0.134 176.507 176.600 0.068 0.000 1.009 22 K CA -0.411 55.895 56.287 0.032 0.000 0.970 22 K CB 0.628 33.121 32.500 -0.011 0.000 0.934 22 K HN 0.634 nan 8.250 nan 0.000 0.479 23 Q N 3.688 123.537 119.800 0.081 0.000 2.257 23 Q HA -0.053 4.304 4.340 0.029 0.000 0.273 23 Q C -0.965 175.153 176.000 0.197 0.000 1.153 23 Q CA 0.124 56.009 55.803 0.136 0.000 0.922 23 Q CB 0.159 28.959 28.738 0.103 0.000 1.242 23 Q HN 0.611 nan 8.270 nan 0.000 0.409 24 W N 6.512 127.881 121.300 0.115 0.000 2.364 24 W HA 0.001 4.678 4.660 0.029 0.000 0.343 24 W C -2.058 174.521 176.519 0.100 0.000 1.237 24 W CA -0.927 56.514 57.345 0.159 0.000 1.319 24 W CB 0.326 30.008 29.460 0.370 0.000 1.179 24 W HN 0.556 nan 8.180 nan 0.000 0.578 25 P HA 0.329 nan 4.420 nan 0.000 0.285 25 P C -0.980 176.451 177.300 0.219 0.000 1.259 25 P CA 0.058 63.279 63.100 0.201 0.000 0.794 25 P CB 1.437 33.204 31.700 0.112 0.000 0.940 26 L N 1.316 122.616 121.223 0.128 0.000 2.327 26 L HA 0.518 4.875 4.340 0.029 0.000 0.258 26 L C 1.255 178.153 176.870 0.046 0.000 1.024 26 L CA -0.879 54.006 54.840 0.075 0.000 0.825 26 L CB 2.102 44.181 42.059 0.033 0.000 1.386 26 L HN 0.374 nan 8.230 nan 0.000 0.417 27 T N -3.345 111.226 114.554 0.030 0.000 2.732 27 T HA 0.108 4.476 4.350 0.029 0.000 0.287 27 T C 0.922 175.639 174.700 0.029 0.000 0.993 27 T CA -0.003 62.120 62.100 0.039 0.000 0.966 27 T CB 0.830 69.734 68.868 0.060 0.000 1.047 27 T HN 0.848 nan 8.240 nan 0.000 0.527 28 E N -0.241 119.984 120.200 0.042 0.000 2.152 28 E HA -0.175 4.192 4.350 0.029 0.000 0.192 28 E C 1.954 178.587 176.600 0.053 0.000 0.983 28 E CA 1.068 57.492 56.400 0.040 0.000 0.818 28 E CB -0.264 29.462 29.700 0.043 0.000 0.758 28 E HN 0.861 nan 8.360 nan 0.000 0.467 29 E N 1.506 121.761 120.200 0.092 0.000 2.077 29 E HA -0.193 4.175 4.350 0.029 0.000 0.193 29 E C 1.893 178.558 176.600 0.108 0.000 0.989 29 E CA 1.214 57.720 56.400 0.177 0.000 0.800 29 E CB 0.129 29.994 29.700 0.275 0.000 0.746 29 E HN 0.221 nan 8.360 nan 0.000 0.452 30 K N -0.048 120.316 120.400 -0.061 0.000 2.116 30 K HA -0.021 4.316 4.320 0.029 0.000 0.203 30 K C 2.141 178.593 176.600 -0.246 0.000 1.052 30 K CA 0.979 57.041 56.287 -0.376 0.000 0.952 30 K CB 0.063 32.364 32.500 -0.332 0.000 0.729 30 K HN 0.216 nan 8.250 nan 0.000 0.446 31 I N 1.221 121.734 120.570 -0.095 0.000 2.286 31 I HA -0.227 3.960 4.170 0.029 0.000 0.245 31 I C 1.915 178.019 176.117 -0.021 0.000 1.104 31 I CA 1.191 62.464 61.300 -0.045 0.000 1.397 31 I CB -0.112 37.883 38.000 -0.008 0.000 1.072 31 I HN 0.049 nan 8.210 nan 0.000 0.417 32 K N 1.018 121.420 120.400 0.004 0.000 2.209 32 K HA -0.109 4.229 4.320 0.029 0.000 0.204 32 K C 2.180 178.804 176.600 0.040 0.000 1.048 32 K CA 1.348 57.655 56.287 0.034 0.000 0.940 32 K CB -0.170 32.366 32.500 0.060 0.000 0.729 32 K HN 0.326 nan 8.250 nan 0.000 0.451 33 A N 1.180 124.005 122.820 0.009 0.000 1.874 33 A HA -0.041 4.296 4.320 0.029 0.000 0.214 33 A C 2.068 179.641 177.584 -0.018 0.000 1.189 33 A CA 0.871 52.921 52.037 0.022 0.000 0.615 33 A CB -0.447 18.505 19.000 -0.080 0.000 0.830 33 A HN 0.114 nan 8.150 nan 0.000 0.443 34 L N -0.388 120.791 121.223 -0.073 0.000 2.093 34 L HA -0.127 4.231 4.340 0.029 0.000 0.208 34 L C 2.435 179.332 176.870 0.045 0.000 1.085 34 L CA 0.774 55.595 54.840 -0.031 0.000 0.755 34 L CB -0.473 41.561 42.059 -0.041 0.000 0.904 34 L HN 0.220 nan 8.230 nan 0.000 0.435 35 V N -0.018 119.925 119.914 0.049 0.000 2.469 35 V HA -0.283 3.854 4.120 0.029 0.000 0.251 35 V C 2.437 178.576 176.094 0.076 0.000 1.064 35 V CA 1.859 64.208 62.300 0.082 0.000 1.066 35 V CB -0.313 31.541 31.823 0.050 0.000 0.667 35 V HN 0.453 nan 8.190 nan 0.000 0.461 36 E N 0.722 120.953 120.200 0.052 0.000 2.001 36 E HA -0.168 4.200 4.350 0.029 0.000 0.193 36 E C 2.018 178.634 176.600 0.026 0.000 0.994 36 E CA 1.695 58.122 56.400 0.044 0.000 0.815 36 E CB -0.388 29.344 29.700 0.053 0.000 0.770 36 E HN 0.506 nan 8.360 nan 0.000 0.453 37 I N 0.397 120.977 120.570 0.016 0.000 2.236 37 I HA -0.400 3.787 4.170 0.029 0.000 0.249 37 I C 2.305 178.387 176.117 -0.059 0.000 1.102 37 I CA 1.111 62.399 61.300 -0.019 0.000 1.365 37 I CB -0.346 37.638 38.000 -0.026 0.000 1.051 37 I HN 0.337 nan 8.210 nan 0.000 0.420 38 C N -0.014 119.271 119.300 -0.024 0.000 2.446 38 C HA -0.072 4.406 4.460 0.029 0.000 0.279 38 C C 2.899 177.799 174.990 -0.150 0.000 1.366 38 C CA 1.065 60.020 59.018 -0.105 0.000 1.763 38 C CB -1.075 26.727 27.740 0.102 0.000 1.929 38 C HN 0.509 nan 8.230 nan 0.000 0.509 39 T N 0.670 115.214 114.554 -0.016 0.000 2.904 39 T HA -0.134 4.233 4.350 0.029 0.000 0.267 39 T C 1.665 176.334 174.700 -0.053 0.000 1.059 39 T CA 1.580 63.678 62.100 -0.003 0.000 1.137 39 T CB -0.135 68.755 68.868 0.037 0.000 0.879 39 T HN 0.621 nan 8.240 nan 0.000 0.467 40 E N 1.898 122.061 120.200 -0.061 0.000 2.006 40 E HA -0.058 4.309 4.350 0.029 0.000 0.192 40 E C 2.140 178.674 176.600 -0.111 0.000 0.993 40 E CA 1.366 57.725 56.400 -0.067 0.000 0.808 40 E CB -0.437 29.229 29.700 -0.057 0.000 0.764 40 E HN 0.406 nan 8.360 nan 0.000 0.449 41 M N 0.344 119.842 119.600 -0.170 0.000 2.106 41 M HA -0.219 4.278 4.480 0.029 0.000 0.259 41 M C 2.454 178.621 176.300 -0.221 0.000 1.068 41 M CA 2.185 57.346 55.300 -0.231 0.000 1.100 41 M CB -0.554 31.846 32.600 -0.334 0.000 1.351 41 M HN 0.282 nan 8.290 nan 0.000 0.404 42 E N 0.620 120.667 120.200 -0.255 0.000 2.118 42 E HA -0.230 4.138 4.350 0.029 0.000 0.195 42 E C 2.067 178.599 176.600 -0.114 0.000 0.992 42 E CA 1.140 57.404 56.400 -0.226 0.000 0.804 42 E CB 0.125 29.693 29.700 -0.221 0.000 0.741 42 E HN 0.179 nan 8.360 nan 0.000 0.458 43 K N 0.695 121.045 120.400 -0.084 0.000 2.186 43 K HA -0.036 4.301 4.320 0.029 0.000 0.202 43 K C 1.488 178.063 176.600 -0.042 0.000 1.052 43 K CA 0.813 57.072 56.287 -0.047 0.000 0.965 43 K CB 0.155 32.636 32.500 -0.031 0.000 0.746 43 K HN 0.246 nan 8.250 nan 0.000 0.457 44 E N -0.545 119.621 120.200 -0.057 0.000 2.516 44 E HA -0.021 4.346 4.350 0.029 0.000 0.199 44 E C 0.710 177.293 176.600 -0.027 0.000 1.069 44 E CA 0.463 56.840 56.400 -0.038 0.000 0.876 44 E CB 0.035 29.705 29.700 -0.050 0.000 0.843 44 E HN 0.478 nan 8.360 nan 0.000 0.530 45 G N 1.658 110.433 108.800 -0.042 0.000 2.179 45 G HA2 -0.382 3.595 3.960 0.029 0.000 0.260 45 G HA3 -0.382 3.595 3.960 0.029 0.000 0.260 45 G C 0.931 175.817 174.900 -0.023 0.000 0.977 45 G CA 0.773 45.858 45.100 -0.025 0.000 0.641 45 G HN 0.283 nan 8.290 nan 0.000 0.533 46 K N -0.116 120.251 120.400 -0.055 0.000 2.097 46 K HA 0.213 4.550 4.320 0.029 0.000 0.205 46 K C 1.538 178.079 176.600 -0.099 0.000 1.050 46 K CA 1.490 57.751 56.287 -0.044 0.000 0.938 46 K CB 0.004 32.424 32.500 -0.133 0.000 0.718 46 K HN 0.834 nan 8.250 nan 0.000 0.442 47 I N -3.893 116.552 120.570 -0.208 0.000 3.042 47 I HA 0.414 4.601 4.170 0.029 0.000 0.310 47 I C -1.154 174.847 176.117 -0.192 0.000 1.117 47 I CA -1.006 60.137 61.300 -0.262 0.000 1.003 47 I CB 2.648 40.357 38.000 -0.485 0.000 1.228 47 I HN -0.350 nan 8.210 nan 0.000 0.443 48 S N 2.058 117.685 115.700 -0.122 0.000 2.733 48 S HA 0.333 4.820 4.470 0.029 0.000 0.294 48 S C -0.639 174.015 174.600 0.089 0.000 1.149 48 S CA -0.691 57.494 58.200 -0.025 0.000 1.034 48 S CB 1.356 64.552 63.200 -0.008 0.000 1.015 48 S HN 0.619 nan 8.310 nan 0.000 0.486 49 K N 4.142 124.672 120.400 0.218 0.000 2.453 49 K HA 0.135 4.472 4.320 0.029 0.000 0.280 49 K C 0.203 176.819 176.600 0.028 0.000 1.045 49 K CA 0.186 56.614 56.287 0.234 0.000 1.059 49 K CB -0.109 32.491 32.500 0.168 0.000 0.901 49 K HN 0.677 nan 8.250 nan 0.000 0.475 50 I N 0.300 120.844 120.570 -0.045 0.000 3.449 50 I HA 0.724 4.911 4.170 0.029 0.000 0.294 50 I C 0.428 176.491 176.117 -0.090 0.000 1.163 50 I CA -1.034 60.230 61.300 -0.060 0.000 1.010 50 I CB 1.760 39.724 38.000 -0.059 0.000 1.307 50 I HN 0.557 nan 8.210 nan 0.000 0.518 51 G N -0.091 108.665 108.800 -0.074 0.000 3.212 51 G HA2 0.534 4.511 3.960 0.029 0.000 0.188 51 G HA3 0.534 4.511 3.960 0.029 0.000 0.188 51 G C -2.378 172.477 174.900 -0.075 0.000 1.254 51 G CA -0.890 44.164 45.100 -0.077 0.000 0.957 51 G HN 0.468 nan 8.290 nan 0.000 0.596 52 P HA 0.037 nan 4.420 nan 0.000 0.230 52 P C 0.896 178.157 177.300 -0.065 0.000 1.158 52 P CA 0.708 63.769 63.100 -0.065 0.000 0.769 52 P CB 0.359 32.025 31.700 -0.056 0.000 0.807 53 E N 0.248 120.413 120.200 -0.058 0.000 2.357 53 E HA -0.036 4.332 4.350 0.029 0.000 0.194 53 E C -0.281 176.282 176.600 -0.062 0.000 1.177 53 E CA 0.055 56.423 56.400 -0.054 0.000 0.998 53 E CB -1.461 28.215 29.700 -0.041 0.000 1.106 53 E HN -0.008 nan 8.360 nan 0.000 0.470 54 N N 0.369 119.022 118.700 -0.078 0.000 2.480 54 N HA 0.191 4.949 4.740 0.029 0.000 0.289 54 N C -2.400 173.011 175.510 -0.165 0.000 1.073 54 N CA -1.471 51.527 53.050 -0.087 0.000 0.885 54 N CB 1.977 40.448 38.487 -0.027 0.000 1.421 54 N HN -0.066 nan 8.380 nan 0.000 0.503 55 P HA 0.148 nan 4.420 nan 0.000 0.261 55 P C -0.562 176.451 177.300 -0.478 0.000 1.268 55 P CA 0.228 63.066 63.100 -0.438 0.000 0.833 55 P CB 0.281 31.662 31.700 -0.533 0.000 1.231 56 Y N 0.481 120.803 120.300 0.037 0.000 2.403 56 Y HA 0.591 5.158 4.550 0.029 0.000 0.323 56 Y C 1.000 176.942 175.900 0.070 0.000 1.226 56 Y CA -0.680 57.465 58.100 0.075 0.000 1.235 56 Y CB 0.834 39.371 38.460 0.127 0.000 1.248 56 Y HN -0.127 nan 8.280 nan 0.000 0.489 57 N N -0.507 118.350 118.700 0.261 0.000 2.815 57 N HA 0.265 5.022 4.740 0.029 0.000 0.253 57 N C -2.003 173.616 175.510 0.181 0.000 1.202 57 N CA -0.298 52.865 53.050 0.189 0.000 0.925 57 N CB 2.093 40.647 38.487 0.112 0.000 1.622 57 N HN 0.657 nan 8.380 nan 0.000 0.497 58 T N 2.784 117.440 114.554 0.170 0.000 2.861 58 T HA 0.523 4.890 4.350 0.029 0.000 0.287 58 T C -2.709 171.980 174.700 -0.019 0.000 1.003 58 T CA -0.970 61.168 62.100 0.064 0.000 0.977 58 T CB 2.220 71.079 68.868 -0.014 0.000 0.996 58 T HN 0.339 nan 8.240 nan 0.000 0.448 59 P HA 0.223 nan 4.420 nan 0.000 0.271 59 P C -0.675 176.271 177.300 -0.591 0.000 1.216 59 P CA -0.278 62.699 63.100 -0.204 0.000 0.771 59 P CB 1.013 32.688 31.700 -0.043 0.000 0.864 60 V N 5.254 124.904 119.914 -0.439 0.000 2.513 60 V HA 0.544 4.681 4.120 0.029 0.000 0.299 60 V C -0.882 174.965 176.094 -0.411 0.000 1.035 60 V CA -0.509 61.487 62.300 -0.505 0.000 0.889 60 V CB 0.491 32.153 31.823 -0.269 0.000 0.988 60 V HN 0.270 nan 8.190 nan 0.000 0.440 61 F N 3.868 123.703 119.950 -0.190 0.000 2.631 61 F HA 0.914 5.458 4.527 0.029 0.000 0.350 61 F C 0.441 176.094 175.800 -0.245 0.000 1.080 61 F CA -1.042 56.818 58.000 -0.234 0.000 1.026 61 F CB 1.764 40.591 39.000 -0.288 0.000 1.347 61 F HN 0.623 nan 8.300 nan 0.000 0.501 62 A N 1.606 124.382 122.820 -0.074 0.000 2.530 62 A HA 0.729 5.067 4.320 0.029 0.000 0.279 62 A C -1.353 176.051 177.584 -0.299 0.000 1.109 62 A CA -0.385 51.471 52.037 -0.302 0.000 0.763 62 A CB 0.092 18.727 19.000 -0.608 0.000 1.257 62 A HN 0.614 nan 8.150 nan 0.000 0.424 63 I N 0.155 120.711 120.570 -0.023 0.000 2.740 63 I HA 0.813 5.001 4.170 0.029 0.000 0.303 63 I C 0.021 176.412 176.117 0.458 0.000 1.044 63 I CA -0.945 60.493 61.300 0.229 0.000 1.064 63 I CB 1.481 39.545 38.000 0.107 0.000 1.249 63 I HN 0.456 nan 8.210 nan 0.000 0.433 72 R N 2.116 122.817 120.500 0.334 0.000 2.523 72 R HA 0.574 4.931 4.340 0.029 0.000 0.229 72 R C -0.054 176.277 176.300 0.051 0.000 1.265 72 R CA -0.770 55.418 56.100 0.147 0.000 1.081 72 R CB 0.989 31.362 30.300 0.122 0.000 1.540 72 R HN 0.107 nan 8.270 nan 0.000 0.560 73 K N 0.784 121.191 120.400 0.012 0.000 2.508 73 K HA 0.391 4.728 4.320 0.029 0.000 0.260 73 K C -1.910 174.671 176.600 -0.032 0.000 0.949 73 K CA -0.731 55.527 56.287 -0.048 0.000 0.834 73 K CB 1.807 34.255 32.500 -0.087 0.000 1.365 73 K HN 0.351 nan 8.250 nan 0.000 0.437 74 L N 2.743 123.926 121.223 -0.068 0.000 2.476 74 L HA 0.420 4.777 4.340 0.029 0.000 0.269 74 L C -1.835 174.898 176.870 -0.228 0.000 0.965 74 L CA -0.509 54.294 54.840 -0.061 0.000 0.845 74 L CB 1.960 44.041 42.059 0.036 0.000 1.259 74 L HN 0.353 nan 8.230 nan 0.000 0.403 75 V N 3.436 123.185 119.914 -0.276 0.000 2.370 75 V HA 0.375 4.512 4.120 0.029 0.000 0.279 75 V C -0.404 175.354 176.094 -0.561 0.000 1.029 75 V CA -0.538 61.426 62.300 -0.560 0.000 0.870 75 V CB 1.386 32.793 31.823 -0.692 0.000 0.984 75 V HN 0.724 nan 8.190 nan 0.000 0.451 76 D N 3.587 123.635 120.400 -0.587 0.000 2.422 76 D HA 0.269 4.926 4.640 0.029 0.000 0.227 76 D C 0.351 176.508 176.300 -0.240 0.000 1.190 76 D CA -0.121 53.705 54.000 -0.290 0.000 0.905 76 D CB 0.310 41.002 40.800 -0.181 0.000 1.034 76 D HN 0.455 nan 8.370 nan 0.000 0.507 77 F N 1.938 121.931 119.950 0.071 0.000 2.773 77 F HA 0.185 4.729 4.527 0.029 0.000 0.304 77 F C 2.179 178.065 175.800 0.144 0.000 1.129 77 F CA -0.388 57.693 58.000 0.135 0.000 1.378 77 F CB 0.205 39.328 39.000 0.206 0.000 1.095 77 F HN 0.202 nan 8.300 nan 0.000 0.565 78 R N 0.536 121.183 120.500 0.246 0.000 2.159 78 R HA -0.227 4.130 4.340 0.029 0.000 0.252 78 R C 1.949 178.363 176.300 0.190 0.000 1.144 78 R CA 1.849 58.063 56.100 0.189 0.000 0.961 78 R CB -0.341 30.049 30.300 0.150 0.000 0.877 78 R HN 0.280 nan 8.270 nan 0.000 0.444 79 E N 0.536 120.853 120.200 0.196 0.000 2.028 79 E HA -0.162 4.205 4.350 0.029 0.000 0.191 79 E C 2.026 178.750 176.600 0.207 0.000 0.988 79 E CA 0.751 57.257 56.400 0.177 0.000 0.799 79 E CB -0.447 29.349 29.700 0.160 0.000 0.755 79 E HN 0.139 nan 8.360 nan 0.000 0.447 80 L N 2.357 123.758 121.223 0.297 0.000 1.989 80 L HA -0.204 4.153 4.340 0.029 0.000 0.211 80 L C 1.628 178.700 176.870 0.338 0.000 1.071 80 L CA 1.817 56.854 54.840 0.329 0.000 0.749 80 L CB -0.970 41.383 42.059 0.490 0.000 0.890 80 L HN 0.005 nan 8.230 nan 0.000 0.431 81 N N 0.873 119.781 118.700 0.348 0.000 2.036 81 N HA -0.266 4.491 4.740 0.029 0.000 0.195 81 N C 1.650 177.243 175.510 0.138 0.000 1.037 81 N CA 2.085 55.263 53.050 0.214 0.000 0.855 81 N CB -0.519 38.051 38.487 0.139 0.000 1.033 81 N HN 0.648 nan 8.380 nan 0.000 0.423 82 K N 0.614 121.089 120.400 0.125 0.000 2.442 82 K HA -0.011 4.326 4.320 0.029 0.000 0.198 82 K C 1.486 178.130 176.600 0.073 0.000 1.044 82 K CA 1.104 57.441 56.287 0.083 0.000 0.948 82 K CB 0.017 32.564 32.500 0.078 0.000 0.762 82 K HN 0.141 nan 8.250 nan 0.000 0.472 83 R N 0.387 120.945 120.500 0.095 0.000 2.307 83 R HA 0.115 4.472 4.340 0.029 0.000 0.200 83 R C 0.002 176.352 176.300 0.083 0.000 0.893 83 R CA 0.075 56.209 56.100 0.057 0.000 1.042 83 R CB 0.546 30.854 30.300 0.014 0.000 1.059 83 R HN 0.056 nan 8.270 nan 0.000 0.530 84 T N 2.911 117.570 114.554 0.175 0.000 2.901 84 T HA 0.010 4.377 4.350 0.029 0.000 0.301 84 T C 0.384 175.122 174.700 0.062 0.000 1.012 84 T CA -0.187 62.062 62.100 0.248 0.000 1.135 84 T CB 1.130 70.227 68.868 0.382 0.000 0.936 84 T HN 0.243 nan 8.240 nan 0.000 0.539 85 Q N 2.549 122.336 119.800 -0.022 0.000 2.861 85 Q HA 0.042 4.399 4.340 0.029 0.000 0.240 85 Q C -0.929 174.863 176.000 -0.346 0.000 1.162 85 Q CA 0.144 55.826 55.803 -0.203 0.000 1.078 85 Q CB 0.185 28.736 28.738 -0.312 0.000 1.349 85 Q HN 0.541 nan 8.270 nan 0.000 0.595 86 D N -0.524 119.653 120.400 -0.372 0.000 2.228 86 D HA 0.487 5.145 4.640 0.029 0.000 0.247 86 D C -1.212 174.785 176.300 -0.505 0.000 0.995 86 D CA -0.336 53.492 54.000 -0.286 0.000 0.903 86 D CB 0.809 41.546 40.800 -0.104 0.000 1.205 86 D HN 0.323 nan 8.370 nan 0.000 0.459 87 F N 0.164 120.071 119.950 -0.071 0.000 2.556 87 F HA 0.334 4.878 4.527 0.029 0.000 0.327 87 F C -0.030 175.800 175.800 0.050 0.000 1.059 87 F CA -1.243 56.741 58.000 -0.026 0.000 0.953 87 F CB 0.912 39.846 39.000 -0.111 0.000 1.227 87 F HN 0.269 nan 8.300 nan 0.000 0.478 88 W N 3.337 124.694 121.300 0.095 0.000 2.264 88 W HA 0.129 4.807 4.660 0.029 0.000 0.331 88 W C 0.005 176.545 176.519 0.034 0.000 1.364 88 W CA -0.678 56.688 57.345 0.036 0.000 1.253 88 W CB 0.632 30.103 29.460 0.017 0.000 1.215 88 W HN 0.732 nan 8.180 nan 0.000 0.561 89 E N 2.163 121.814 120.200 -0.916 0.000 3.231 89 E HA -0.039 4.328 4.350 0.029 0.000 0.271 89 E C -0.257 176.104 176.600 -0.398 0.000 0.877 89 E CA 0.123 56.110 56.400 -0.689 0.000 0.973 89 E CB -0.064 29.100 29.700 -0.894 0.000 0.922 89 E HN 0.274 nan 8.360 nan 0.000 0.532 90 V N 1.726 121.498 119.914 -0.236 0.000 2.455 90 V HA 0.095 4.233 4.120 0.029 0.000 0.273 90 V C 0.559 176.577 176.094 -0.128 0.000 1.045 90 V CA -0.783 61.424 62.300 -0.154 0.000 0.976 90 V CB 1.100 32.829 31.823 -0.157 0.000 0.993 90 V HN 0.897 nan 8.190 nan 0.000 0.475 91 Q N 2.909 122.668 119.800 -0.069 0.000 4.064 91 Q HA -0.160 4.197 4.340 0.029 0.000 0.388 91 Q C 0.245 176.238 176.000 -0.012 0.000 1.125 91 Q CA 0.359 56.157 55.803 -0.008 0.000 1.249 91 Q CB 0.165 28.948 28.738 0.074 0.000 1.127 91 Q HN 0.911 nan 8.270 nan 0.000 0.506 92 L N 3.368 124.571 121.223 -0.033 0.000 2.575 92 L HA 0.284 4.641 4.340 0.029 0.000 0.228 92 L C 0.687 177.569 176.870 0.021 0.000 1.075 92 L CA 1.391 56.216 54.840 -0.025 0.000 0.867 92 L CB 0.219 42.231 42.059 -0.078 0.000 1.097 92 L HN 0.614 nan 8.230 nan 0.000 0.485 93 G N 2.744 111.562 108.800 0.030 0.000 2.404 93 G HA2 0.444 4.421 3.960 0.029 0.000 0.316 93 G HA3 0.444 4.421 3.960 0.029 0.000 0.316 93 G C 0.201 175.161 174.900 0.100 0.000 1.074 93 G CA -0.305 44.820 45.100 0.042 0.000 0.989 93 G HN 0.099 nan 8.290 nan 0.000 0.430 94 I N 1.218 121.874 120.570 0.143 0.000 2.934 94 I HA 0.671 4.858 4.170 0.029 0.000 0.315 94 I C -2.432 173.767 176.117 0.138 0.000 0.997 94 I CA -2.847 58.605 61.300 0.253 0.000 1.184 94 I CB 0.490 38.732 38.000 0.403 0.000 1.400 94 I HN 0.100 nan 8.210 nan 0.000 0.549 95 P HA 0.299 nan 4.420 nan 0.000 0.274 95 P C -1.277 176.073 177.300 0.083 0.000 1.231 95 P CA 0.289 63.326 63.100 -0.104 0.000 0.790 95 P CB 0.271 31.688 31.700 -0.472 0.000 0.951 96 H N 2.010 120.996 119.070 -0.140 0.000 2.466 96 H HA 0.292 4.865 4.556 0.028 0.000 0.338 96 H C -1.762 173.418 175.328 -0.246 0.000 1.091 96 H CA -2.029 53.922 56.048 -0.161 0.000 1.207 96 H CB 1.268 30.884 29.762 -0.244 0.000 1.466 96 H HN 0.241 nan 8.280 nan 0.000 0.493 97 P HA -0.258 nan 4.420 nan 0.000 0.218 97 P C 0.816 177.989 177.300 -0.212 0.000 1.152 97 P CA 2.288 65.057 63.100 -0.551 0.000 0.857 97 P CB 0.102 31.128 31.700 -1.124 0.000 0.787 98 A N -0.964 121.749 122.820 -0.178 0.000 2.121 98 A HA 0.005 4.342 4.320 0.029 0.000 0.218 98 A C 2.262 180.083 177.584 0.396 0.000 1.154 98 A CA 1.816 54.010 52.037 0.261 0.000 0.679 98 A CB -1.371 17.873 19.000 0.406 0.000 0.795 98 A HN 0.333 nan 8.150 nan 0.000 0.458 99 G N -0.355 108.480 108.800 0.059 0.000 2.762 99 G HA2 0.320 4.297 3.960 0.029 0.000 0.209 99 G HA3 0.320 4.297 3.960 0.029 0.000 0.209 99 G C 0.805 175.784 174.900 0.132 0.000 1.134 99 G CA 0.375 45.465 45.100 -0.017 0.000 0.781 99 G HN 0.645 nan 8.290 nan 0.000 0.528 100 I N -1.328 119.244 120.570 0.003 0.000 3.004 100 I HA 0.616 4.803 4.170 0.029 0.000 0.287 100 I C -0.513 175.590 176.117 -0.023 0.000 1.144 100 I CA -0.744 60.489 61.300 -0.111 0.000 1.353 100 I CB 0.974 38.757 38.000 -0.362 0.000 1.417 100 I HN -0.278 nan 8.210 nan 0.000 0.602 101 K N 2.565 122.917 120.400 -0.080 0.000 2.156 101 K HA 0.353 4.690 4.320 0.029 0.000 0.250 101 K C -0.767 175.768 176.600 -0.107 0.000 0.955 101 K CA -0.812 55.474 56.287 -0.001 0.000 0.855 101 K CB 1.323 33.831 32.500 0.014 0.000 1.101 101 K HN 0.615 nan 8.250 nan 0.000 0.434 102 K N 1.479 121.934 120.400 0.092 0.000 2.355 102 K HA 0.202 4.539 4.320 0.029 0.000 0.270 102 K C -0.465 176.173 176.600 0.063 0.000 1.003 102 K CA -0.216 56.173 56.287 0.170 0.000 0.957 102 K CB 0.565 33.254 32.500 0.314 0.000 0.939 102 K HN 0.108 nan 8.250 nan 0.000 0.482 103 K N 2.738 123.174 120.400 0.060 0.000 2.371 103 K HA 0.181 4.519 4.320 0.029 0.000 0.251 103 K C 0.171 176.790 176.600 0.031 0.000 0.934 103 K CA -0.779 55.528 56.287 0.035 0.000 0.798 103 K CB 1.865 34.377 32.500 0.020 0.000 1.204 103 K HN 0.599 nan 8.250 nan 0.000 0.427 104 K N 0.554 120.956 120.400 0.003 0.000 2.057 104 K HA 0.009 4.346 4.320 0.029 0.000 0.207 104 K C -0.008 176.548 176.600 -0.074 0.000 1.049 104 K CA 1.177 57.453 56.287 -0.018 0.000 0.931 104 K CB 0.252 32.742 32.500 -0.017 0.000 0.714 104 K HN 0.474 nan 8.250 nan 0.000 0.440 105 S N -0.577 115.015 115.700 -0.181 0.000 2.546 105 S HA 0.471 4.959 4.470 0.029 0.000 0.274 105 S C -1.338 173.105 174.600 -0.262 0.000 1.121 105 S CA -0.946 57.053 58.200 -0.336 0.000 0.887 105 S CB 2.830 65.531 63.200 -0.832 0.000 1.094 105 S HN -0.111 nan 8.310 nan 0.000 0.474 106 V N 1.940 121.833 119.914 -0.034 0.000 2.668 106 V HA 0.617 4.755 4.120 0.029 0.000 0.304 106 V C -0.688 175.609 176.094 0.338 0.000 1.071 106 V CA -0.536 61.890 62.300 0.210 0.000 0.894 106 V CB 2.115 34.136 31.823 0.330 0.000 1.008 106 V HN 0.936 nan 8.190 nan 0.000 0.425 107 T N 3.498 118.270 114.554 0.364 0.000 2.841 107 T HA 0.555 4.922 4.350 0.029 0.000 0.283 107 T C -0.789 173.985 174.700 0.123 0.000 1.000 107 T CA -0.466 61.811 62.100 0.295 0.000 0.977 107 T CB 2.048 71.078 68.868 0.269 0.000 0.979 107 T HN 0.535 nan 8.240 nan 0.000 0.446 108 V N 4.849 124.787 119.914 0.040 0.000 2.370 108 V HA 0.586 4.723 4.120 0.029 0.000 0.283 108 V C -1.242 174.738 176.094 -0.190 0.000 1.023 108 V CA -0.822 61.284 62.300 -0.323 0.000 0.857 108 V CB 0.843 32.278 31.823 -0.646 0.000 0.985 108 V HN 0.662 nan 8.190 nan 0.000 0.443 109 L N 6.330 127.425 121.223 -0.215 0.000 2.265 109 L HA 0.498 4.855 4.340 0.029 0.000 0.289 109 L C 0.139 176.933 176.870 -0.126 0.000 1.033 109 L CA 0.108 54.877 54.840 -0.120 0.000 0.814 109 L CB 1.279 43.281 42.059 -0.095 0.000 1.203 109 L HN 0.672 nan 8.230 nan 0.000 0.423 110 D N 3.462 123.816 120.400 -0.076 0.000 2.374 110 D HA 0.067 4.724 4.640 0.029 0.000 0.240 110 D C 0.458 176.738 176.300 -0.034 0.000 1.229 110 D CA -0.045 53.916 54.000 -0.065 0.000 0.895 110 D CB 0.989 41.763 40.800 -0.043 0.000 1.046 110 D HN 0.323 nan 8.370 nan 0.000 0.498 111 V N 2.352 122.255 119.914 -0.019 0.000 3.039 111 V HA 0.413 4.551 4.120 0.029 0.000 0.369 111 V C 1.626 177.722 176.094 0.004 0.000 1.344 111 V CA 0.053 62.374 62.300 0.035 0.000 1.270 111 V CB 0.287 32.174 31.823 0.107 0.000 1.284 111 V HN 0.405 nan 8.190 nan 0.000 0.518 112 G N 0.542 109.303 108.800 -0.065 0.000 2.480 112 G HA2 -0.270 3.708 3.960 0.029 0.000 0.216 112 G HA3 -0.270 3.708 3.960 0.029 0.000 0.216 112 G C 1.166 176.001 174.900 -0.109 0.000 1.200 112 G CA 1.146 46.159 45.100 -0.144 0.000 0.782 112 G HN 0.504 nan 8.290 nan 0.000 0.554 113 D N 0.947 121.334 120.400 -0.022 0.000 2.354 113 D HA -0.015 4.642 4.640 0.029 0.000 0.216 113 D C 2.573 178.944 176.300 0.118 0.000 0.970 113 D CA 0.800 54.843 54.000 0.072 0.000 0.905 113 D CB -0.127 40.722 40.800 0.082 0.000 0.903 113 D HN 0.275 nan 8.370 nan 0.000 0.508 114 A N -0.651 122.219 122.820 0.082 0.000 2.172 114 A HA -0.175 4.163 4.320 0.029 0.000 0.216 114 A C 1.817 179.478 177.584 0.129 0.000 1.154 114 A CA 0.433 52.572 52.037 0.171 0.000 0.701 114 A CB -0.604 18.584 19.000 0.313 0.000 0.789 114 A HN 0.240 nan 8.150 nan 0.000 0.465 115 Y N -0.812 119.309 120.300 -0.297 0.000 2.128 115 Y HA -0.194 4.373 4.550 0.029 0.000 0.284 115 Y C 1.227 176.994 175.900 -0.222 0.000 1.154 115 Y CA 1.937 59.757 58.100 -0.467 0.000 1.149 115 Y CB -0.328 37.712 38.460 -0.700 0.000 0.976 115 Y HN 0.369 nan 8.280 nan 0.000 0.505 116 F N -1.172 118.873 119.950 0.158 0.000 2.676 116 F HA 0.094 4.638 4.527 0.029 0.000 0.300 116 F C 1.706 177.574 175.800 0.114 0.000 1.160 116 F CA 0.253 58.340 58.000 0.143 0.000 1.401 116 F CB -0.237 38.853 39.000 0.149 0.000 1.037 116 F HN -0.121 nan 8.300 nan 0.000 0.522 117 S N -1.346 114.500 115.700 0.242 0.000 2.505 117 S HA 0.170 4.657 4.470 0.029 0.000 0.216 117 S C 0.574 175.269 174.600 0.158 0.000 1.018 117 S CA -0.072 58.243 58.200 0.193 0.000 0.911 117 S CB 0.489 63.799 63.200 0.184 0.000 0.818 117 S HN -0.081 nan 8.310 nan 0.000 0.497 118 V N 4.492 124.491 119.914 0.142 0.000 2.432 118 V HA 0.312 4.450 4.120 0.029 0.000 0.275 118 V C -2.496 173.649 176.094 0.084 0.000 1.043 118 V CA -2.190 60.165 62.300 0.091 0.000 0.925 118 V CB 0.781 32.636 31.823 0.054 0.000 0.985 118 V HN 0.083 nan 8.190 nan 0.000 0.466 119 P HA 0.107 nan 4.420 nan 0.000 0.268 119 P C -0.600 176.733 177.300 0.054 0.000 1.208 119 P CA -0.075 63.069 63.100 0.074 0.000 0.777 119 P CB 0.597 32.338 31.700 0.068 0.000 0.875 120 L N 2.294 123.551 121.223 0.056 0.000 2.322 120 L HA 0.321 4.678 4.340 0.029 0.000 0.281 120 L C 0.002 176.900 176.870 0.046 0.000 1.014 120 L CA -0.941 53.914 54.840 0.024 0.000 0.815 120 L CB 1.455 43.512 42.059 -0.004 0.000 1.247 120 L HN 0.329 nan 8.230 nan 0.000 0.421 121 D N 3.659 124.089 120.400 0.050 0.000 2.854 121 D HA -0.145 4.513 4.640 0.029 0.000 0.243 121 D C 1.409 177.771 176.300 0.102 0.000 1.243 121 D CA 0.380 54.430 54.000 0.084 0.000 0.883 121 D CB 0.899 41.766 40.800 0.111 0.000 1.145 121 D HN 0.512 nan 8.370 nan 0.000 0.555 122 E N 3.420 123.664 120.200 0.074 0.000 2.136 122 E HA -0.299 4.068 4.350 0.029 0.000 0.202 122 E C 1.051 177.680 176.600 0.049 0.000 1.019 122 E CA 1.384 57.817 56.400 0.055 0.000 0.819 122 E CB -0.334 29.390 29.700 0.041 0.000 0.739 122 E HN 0.648 nan 8.360 nan 0.000 0.458 123 D N -0.177 120.267 120.400 0.073 0.000 2.221 123 D HA -0.119 4.539 4.640 0.029 0.000 0.204 123 D C 1.626 177.959 176.300 0.055 0.000 0.982 123 D CA 0.802 54.840 54.000 0.062 0.000 0.857 123 D CB -0.272 40.591 40.800 0.105 0.000 0.934 123 D HN 0.192 nan 8.370 nan 0.000 0.475 124 F N 1.275 121.210 119.950 -0.025 0.000 2.530 124 F HA 0.093 4.638 4.527 0.029 0.000 0.292 124 F C 2.237 177.963 175.800 -0.123 0.000 1.109 124 F CA 0.136 58.139 58.000 0.005 0.000 1.450 124 F CB 0.194 39.231 39.000 0.062 0.000 1.114 124 F HN -0.273 nan 8.300 nan 0.000 0.560 125 R N 1.141 121.662 120.500 0.034 0.000 2.140 125 R HA -0.270 4.087 4.340 0.029 0.000 0.250 125 R C 2.198 178.424 176.300 -0.124 0.000 1.150 125 R CA 2.283 58.377 56.100 -0.011 0.000 0.966 125 R CB -0.714 29.600 30.300 0.023 0.000 0.869 125 R HN 0.391 nan 8.270 nan 0.000 0.445 126 K N -0.244 119.985 120.400 -0.285 0.000 2.228 126 K HA -0.211 4.126 4.320 0.029 0.000 0.205 126 K C 1.268 177.695 176.600 -0.288 0.000 1.045 126 K CA 1.818 57.932 56.287 -0.289 0.000 0.931 126 K CB -0.405 31.867 32.500 -0.380 0.000 0.727 126 K HN 0.254 nan 8.250 nan 0.000 0.458 127 Y N 2.333 122.429 120.300 -0.341 0.000 2.561 127 Y HA -0.029 4.538 4.550 0.029 0.000 0.291 127 Y C 2.231 178.067 175.900 -0.107 0.000 1.141 127 Y CA 1.070 58.899 58.100 -0.452 0.000 1.303 127 Y CB -0.414 37.511 38.460 -0.890 0.000 1.015 127 Y HN 0.318 nan 8.280 nan 0.000 0.547 128 T N -2.460 112.173 114.554 0.131 0.000 3.144 128 T HA 0.455 4.823 4.350 0.029 0.000 0.249 128 T C 0.891 175.878 174.700 0.480 0.000 1.089 128 T CA 0.041 62.361 62.100 0.367 0.000 0.989 128 T CB -0.573 68.492 68.868 0.328 0.000 0.992 128 T HN 0.190 nan 8.240 nan 0.000 0.540 129 A N 1.892 124.885 122.820 0.288 0.000 2.540 129 A HA 0.527 4.864 4.320 0.029 0.000 0.239 129 A C -0.030 177.712 177.584 0.263 0.000 1.061 129 A CA -0.430 51.718 52.037 0.185 0.000 0.758 129 A CB -0.571 18.497 19.000 0.114 0.000 0.991 129 A HN 0.745 nan 8.150 nan 0.000 0.502 130 F N -0.518 119.510 119.950 0.130 0.000 2.629 130 F HA 0.829 5.374 4.527 0.029 0.000 0.316 130 F C -0.322 175.502 175.800 0.041 0.000 1.081 130 F CA -0.888 57.153 58.000 0.069 0.000 0.954 130 F CB 1.450 40.475 39.000 0.042 0.000 1.337 130 F HN 0.298 nan 8.300 nan 0.000 0.474 131 T N 2.619 117.309 114.554 0.225 0.000 2.841 131 T HA 0.517 4.885 4.350 0.029 0.000 0.285 131 T C -0.445 174.339 174.700 0.140 0.000 0.991 131 T CA -0.383 61.764 62.100 0.079 0.000 0.966 131 T CB 1.226 70.108 68.868 0.023 0.000 0.962 131 T HN 0.559 nan 8.240 nan 0.000 0.438 132 I N 6.451 127.070 120.570 0.082 0.000 2.308 132 I HA 0.214 4.401 4.170 0.029 0.000 0.293 132 I C -1.620 174.511 176.117 0.023 0.000 1.078 132 I CA -2.179 59.171 61.300 0.083 0.000 1.292 132 I CB 0.709 38.757 38.000 0.080 0.000 1.423 132 I HN 0.332 nan 8.210 nan 0.000 0.493 133 P HA -0.101 nan 4.420 nan 0.000 0.271 133 P C -0.178 177.128 177.300 0.010 0.000 1.228 133 P CA 0.002 63.120 63.100 0.030 0.000 0.797 133 P CB 0.708 32.442 31.700 0.056 0.000 0.914 134 S N -0.160 115.544 115.700 0.007 0.000 2.654 134 S HA 0.183 4.670 4.470 0.029 0.000 0.283 134 S C 1.386 175.992 174.600 0.009 0.000 1.180 134 S CA -0.731 57.469 58.200 -0.000 0.000 1.021 134 S CB 0.013 63.210 63.200 -0.006 0.000 1.018 134 S HN 0.366 nan 8.310 nan 0.000 0.532 135 I N 2.770 123.345 120.570 0.007 0.000 2.381 135 I HA -0.167 4.021 4.170 0.029 0.000 0.255 135 I C 0.192 176.318 176.117 0.016 0.000 1.140 135 I CA 1.803 63.111 61.300 0.013 0.000 1.404 135 I CB -0.474 37.532 38.000 0.011 0.000 1.075 135 I HN 0.802 nan 8.210 nan 0.000 0.433 136 N N -0.978 117.729 118.700 0.012 0.000 2.604 136 N HA 0.114 4.872 4.740 0.029 0.000 0.284 136 N C 0.150 175.665 175.510 0.008 0.000 1.716 136 N CA 0.109 53.167 53.050 0.012 0.000 0.859 136 N CB -1.221 37.272 38.487 0.010 0.000 1.403 136 N HN 0.150 nan 8.380 nan 0.000 0.501 137 N N 0.348 119.053 118.700 0.009 0.000 2.693 137 N HA -0.314 4.444 4.740 0.029 0.000 0.250 137 N C 0.385 175.894 175.510 -0.003 0.000 1.033 137 N CA 1.534 54.586 53.050 0.003 0.000 0.747 137 N CB -0.330 38.160 38.487 0.004 0.000 0.964 137 N HN 0.759 nan 8.380 nan 0.000 0.540 138 E N -1.289 118.909 120.200 -0.004 0.000 2.098 138 E HA 0.054 4.422 4.350 0.029 0.000 0.196 138 E C 0.466 177.059 176.600 -0.012 0.000 0.955 138 E CA 0.765 57.160 56.400 -0.007 0.000 0.936 138 E CB 0.015 29.712 29.700 -0.005 0.000 1.054 138 E HN 0.519 nan 8.360 nan 0.000 0.482 139 T N 0.751 115.297 114.554 -0.014 0.000 2.813 139 T HA 0.271 4.638 4.350 0.029 0.000 0.297 139 T C -2.456 172.228 174.700 -0.026 0.000 1.036 139 T CA -1.500 60.588 62.100 -0.021 0.000 1.044 139 T CB 0.873 69.728 68.868 -0.022 0.000 0.993 139 T HN -0.108 nan 8.240 nan 0.000 0.535 140 P HA 0.330 nan 4.420 nan 0.000 0.271 140 P C 0.521 177.788 177.300 -0.055 0.000 1.216 140 P CA -0.105 62.968 63.100 -0.044 0.000 0.776 140 P CB 0.279 31.948 31.700 -0.052 0.000 0.881 141 G N 2.752 111.518 108.800 -0.056 0.000 2.651 141 G HA2 0.308 4.285 3.960 0.029 0.000 0.260 141 G HA3 0.308 4.285 3.960 0.029 0.000 0.260 141 G C -0.331 174.495 174.900 -0.124 0.000 1.216 141 G CA -0.510 44.550 45.100 -0.067 0.000 0.913 141 G HN 0.395 nan 8.290 nan 0.000 0.535 142 I N 0.780 121.253 120.570 -0.163 0.000 2.379 142 I HA 0.237 4.424 4.170 0.029 0.000 0.290 142 I C 0.896 176.749 176.117 -0.439 0.000 1.063 142 I CA -0.106 61.003 61.300 -0.319 0.000 1.351 142 I CB 0.497 38.275 38.000 -0.369 0.000 1.410 142 I HN 0.337 nan 8.210 nan 0.000 0.505 143 R N 5.881 126.106 120.500 -0.458 0.000 2.410 143 R HA 0.584 4.941 4.340 0.029 0.000 0.288 143 R C -1.169 174.766 176.300 -0.609 0.000 1.051 143 R CA -0.296 55.546 56.100 -0.429 0.000 1.021 143 R CB 1.364 31.513 30.300 -0.251 0.000 1.032 143 R HN 0.521 nan 8.270 nan 0.000 0.481 144 Y N -0.105 119.860 120.300 -0.559 0.000 2.728 144 Y HA 0.225 4.792 4.550 0.029 0.000 0.330 144 Y C -0.486 175.029 175.900 -0.641 0.000 1.234 144 Y CA -1.047 56.651 58.100 -0.670 0.000 1.070 144 Y CB 2.538 40.392 38.460 -1.009 0.000 1.300 144 Y HN 0.519 nan 8.280 nan 0.000 0.467 145 Q N -0.435 119.247 119.800 -0.197 0.000 2.578 145 Q HA 0.430 4.787 4.340 0.029 0.000 0.284 145 Q C -2.404 173.642 176.000 0.076 0.000 0.960 145 Q CA -1.062 54.746 55.803 0.007 0.000 0.809 145 Q CB 1.946 30.703 28.738 0.031 0.000 1.462 145 Q HN 0.608 nan 8.270 nan 0.000 0.392 146 Y N 1.275 121.674 120.300 0.165 0.000 2.299 146 Y HA 0.317 4.884 4.550 0.029 0.000 0.326 146 Y C 0.816 176.756 175.900 0.066 0.000 1.164 146 Y CA 0.017 58.203 58.100 0.145 0.000 1.234 146 Y CB 1.221 39.790 38.460 0.180 0.000 1.219 146 Y HN 0.708 nan 8.280 nan 0.000 0.497 147 N N 1.160 119.992 118.700 0.220 0.000 2.220 147 N HA 0.079 4.836 4.740 0.029 0.000 0.195 147 N C -0.490 175.115 175.510 0.158 0.000 1.123 147 N CA 0.435 53.566 53.050 0.136 0.000 0.874 147 N CB 0.954 39.487 38.487 0.078 0.000 0.995 147 N HN 0.384 nan 8.380 nan 0.000 0.498 148 V N -2.258 117.810 119.914 0.257 0.000 3.158 148 V HA 0.509 4.647 4.120 0.029 0.000 0.311 148 V C -0.096 176.100 176.094 0.170 0.000 1.181 148 V CA -1.227 61.209 62.300 0.227 0.000 1.054 148 V CB 1.388 33.396 31.823 0.309 0.000 1.085 148 V HN -0.272 nan 8.190 nan 0.000 0.446 149 L N 2.961 124.222 121.223 0.062 0.000 2.654 149 L HA 0.333 4.690 4.340 0.029 0.000 0.271 149 L C -2.235 174.555 176.870 -0.132 0.000 1.169 149 L CA -0.835 53.963 54.840 -0.069 0.000 0.947 149 L CB -0.663 41.298 42.059 -0.164 0.000 1.232 149 L HN 0.569 nan 8.230 nan 0.000 0.486 150 P HA 0.054 nan 4.420 nan 0.000 0.276 150 P C -0.514 176.678 177.300 -0.179 0.000 1.230 150 P CA -0.506 62.268 63.100 -0.543 0.000 0.776 150 P CB 0.473 31.503 31.700 -1.117 0.000 0.888 151 Q N 2.262 122.010 119.800 -0.086 0.000 2.255 151 Q HA 0.172 4.530 4.340 0.029 0.000 0.280 151 Q C 1.354 177.442 176.000 0.148 0.000 1.068 151 Q CA 1.619 57.390 55.803 -0.053 0.000 0.911 151 Q CB -0.123 28.588 28.738 -0.046 0.000 1.157 151 Q HN 0.899 nan 8.270 nan 0.000 0.380 152 G N 3.568 112.435 108.800 0.111 0.000 2.176 152 G HA2 -0.259 3.718 3.960 0.029 0.000 0.232 152 G HA3 -0.259 3.718 3.960 0.029 0.000 0.232 152 G C -0.424 174.591 174.900 0.192 0.000 0.986 152 G CA 0.053 45.256 45.100 0.171 0.000 0.643 152 G HN 0.609 nan 8.290 nan 0.000 0.522 153 W N 1.635 122.814 121.300 -0.202 0.000 2.313 153 W HA 0.651 5.329 4.660 0.029 0.000 0.328 153 W C 1.308 177.692 176.519 -0.225 0.000 1.197 153 W CA -0.569 56.547 57.345 -0.382 0.000 1.235 153 W CB 0.964 30.008 29.460 -0.695 0.000 1.158 153 W HN 0.027 nan 8.180 nan 0.000 0.578 154 K N 2.142 121.932 120.400 -1.018 0.000 2.074 154 K HA -0.145 4.192 4.320 0.029 0.000 0.209 154 K C 1.710 177.592 176.600 -1.198 0.000 1.048 154 K CA 2.002 57.755 56.287 -0.890 0.000 0.926 154 K CB -0.633 31.512 32.500 -0.591 0.000 0.713 154 K HN 0.744 nan 8.250 nan 0.000 0.444 155 G N -0.673 106.768 108.800 -2.266 0.000 2.880 155 G HA2 -0.060 3.917 3.960 0.029 0.000 0.209 155 G HA3 -0.060 3.917 3.960 0.029 0.000 0.209 155 G C 1.184 175.366 174.900 -1.196 0.000 1.157 155 G CA 0.171 43.956 45.100 -2.192 0.000 0.779 155 G HN 0.230 nan 8.290 nan 0.000 0.539 156 S N 1.831 117.097 115.700 -0.723 0.000 2.353 156 S HA -0.086 4.401 4.470 0.029 0.000 0.222 156 S C 0.073 174.396 174.600 -0.462 0.000 1.035 156 S CA 1.457 59.407 58.200 -0.417 0.000 1.025 156 S CB -0.790 62.240 63.200 -0.284 0.000 0.902 156 S HN 0.291 nan 8.310 nan 0.000 0.440 157 P HA -0.070 nan 4.420 nan 0.000 0.214 157 P C 1.519 178.692 177.300 -0.212 0.000 1.163 157 P CA 1.588 64.571 63.100 -0.194 0.000 0.883 157 P CB -0.137 31.461 31.700 -0.170 0.000 0.788 158 A N -0.764 121.848 122.820 -0.346 0.000 1.873 158 A HA -0.163 4.175 4.320 0.029 0.000 0.215 158 A C 2.244 179.667 177.584 -0.269 0.000 1.186 158 A CA 1.514 53.372 52.037 -0.298 0.000 0.616 158 A CB -1.610 17.161 19.000 -0.381 0.000 0.823 158 A HN 0.093 nan 8.150 nan 0.000 0.442 159 I N -1.844 118.511 120.570 -0.359 0.000 2.315 159 I HA -0.194 3.993 4.170 0.029 0.000 0.248 159 I C 2.386 178.375 176.117 -0.214 0.000 1.117 159 I CA 1.475 62.627 61.300 -0.247 0.000 1.404 159 I CB -0.382 37.484 38.000 -0.224 0.000 1.071 159 I HN 0.466 nan 8.210 nan 0.000 0.419 160 F N 1.590 121.327 119.950 -0.355 0.000 2.134 160 F HA -0.273 4.271 4.527 0.029 0.000 0.299 160 F C 2.660 178.317 175.800 -0.239 0.000 1.097 160 F CA 1.774 59.569 58.000 -0.343 0.000 1.264 160 F CB -0.214 38.468 39.000 -0.529 0.000 1.001 160 F HN 0.014 nan 8.300 nan 0.000 0.479 161 Q N -0.497 119.111 119.800 -0.320 0.000 2.083 161 Q HA -0.192 4.165 4.340 0.029 0.000 0.198 161 Q C 2.474 178.285 176.000 -0.314 0.000 0.969 161 Q CA 1.597 57.202 55.803 -0.331 0.000 0.838 161 Q CB -0.292 28.367 28.738 -0.131 0.000 0.900 161 Q HN 0.457 nan 8.270 nan 0.000 0.436 162 S N -0.456 115.105 115.700 -0.232 0.000 2.382 162 S HA -0.135 4.352 4.470 0.029 0.000 0.228 162 S C 1.990 176.448 174.600 -0.235 0.000 1.027 162 S CA 1.701 59.795 58.200 -0.177 0.000 0.991 162 S CB -0.180 62.951 63.200 -0.115 0.000 0.823 162 S HN 0.415 nan 8.310 nan 0.000 0.469 163 S N 1.247 116.763 115.700 -0.306 0.000 2.355 163 S HA -0.059 4.429 4.470 0.029 0.000 0.222 163 S C 1.822 176.159 174.600 -0.438 0.000 1.031 163 S CA 1.562 59.560 58.200 -0.336 0.000 0.993 163 S CB -0.477 62.526 63.200 -0.327 0.000 0.859 163 S HN 0.580 nan 8.310 nan 0.000 0.453 164 M N 2.145 121.398 119.600 -0.579 0.000 2.159 164 M HA -0.079 4.418 4.480 0.029 0.000 0.263 164 M C 1.867 177.941 176.300 -0.375 0.000 1.063 164 M CA 1.600 56.565 55.300 -0.558 0.000 1.110 164 M CB -1.412 30.780 32.600 -0.679 0.000 1.374 164 M HN 0.188 nan 8.290 nan 0.000 0.411 165 T N 0.508 114.884 114.554 -0.296 0.000 2.708 165 T HA -0.132 4.235 4.350 0.029 0.000 0.266 165 T C 1.805 176.392 174.700 -0.189 0.000 1.037 165 T CA 1.683 63.668 62.100 -0.191 0.000 1.146 165 T CB -0.144 68.645 68.868 -0.132 0.000 0.865 165 T HN 0.442 nan 8.240 nan 0.000 0.435 166 K N 0.723 120.987 120.400 -0.225 0.000 2.009 166 K HA -0.017 4.320 4.320 0.029 0.000 0.210 166 K C 2.265 178.681 176.600 -0.306 0.000 1.049 166 K CA 1.342 57.496 56.287 -0.222 0.000 0.929 166 K CB -0.447 31.913 32.500 -0.234 0.000 0.714 166 K HN 0.303 nan 8.250 nan 0.000 0.440 167 I N 1.353 121.620 120.570 -0.504 0.000 2.248 167 I HA -0.303 3.884 4.170 0.029 0.000 0.248 167 I C 2.088 177.983 176.117 -0.370 0.000 1.107 167 I CA 1.349 62.203 61.300 -0.742 0.000 1.373 167 I CB -0.303 37.120 38.000 -0.961 0.000 1.055 167 I HN 0.178 nan 8.210 nan 0.000 0.418 168 L N 0.096 121.176 121.223 -0.237 0.000 2.478 168 L HA -0.103 4.254 4.340 0.029 0.000 0.223 168 L C 2.376 179.295 176.870 0.082 0.000 1.140 168 L CA 0.215 55.022 54.840 -0.055 0.000 0.842 168 L CB -0.408 41.590 42.059 -0.100 0.000 0.953 168 L HN 0.205 nan 8.230 nan 0.000 0.452 169 E N 1.374 121.590 120.200 0.027 0.000 2.033 169 E HA -0.187 4.180 4.350 0.029 0.000 0.199 169 E C -0.514 176.152 176.600 0.110 0.000 1.011 169 E CA 1.882 58.315 56.400 0.055 0.000 0.815 169 E CB -1.191 28.517 29.700 0.013 0.000 0.755 169 E HN 0.192 nan 8.360 nan 0.000 0.451 170 P HA -0.156 nan 4.420 nan 0.000 0.214 170 P C 1.406 178.774 177.300 0.113 0.000 1.169 170 P CA 1.570 64.738 63.100 0.114 0.000 0.908 170 P CB -0.331 31.448 31.700 0.132 0.000 0.791 171 F N 0.274 120.254 119.950 0.049 0.000 2.065 171 F HA -0.257 4.287 4.527 0.029 0.000 0.298 171 F C 2.406 178.226 175.800 0.034 0.000 1.112 171 F CA 1.656 59.679 58.000 0.039 0.000 1.212 171 F CB -0.341 38.752 39.000 0.156 0.000 0.975 171 F HN -0.285 nan 8.300 nan 0.000 0.476 172 R N 0.081 120.787 120.500 0.343 0.000 2.105 172 R HA -0.178 4.180 4.340 0.029 0.000 0.239 172 R C 2.315 178.659 176.300 0.074 0.000 1.135 172 R CA 1.403 57.630 56.100 0.212 0.000 0.967 172 R CB -0.238 30.155 30.300 0.155 0.000 0.861 172 R HN 0.132 nan 8.270 nan 0.000 0.442 173 K N 0.790 121.216 120.400 0.043 0.000 2.025 173 K HA -0.145 4.192 4.320 0.029 0.000 0.207 173 K C 2.014 178.587 176.600 -0.045 0.000 1.049 173 K CA 1.576 57.865 56.287 0.003 0.000 0.933 173 K CB -0.116 32.388 32.500 0.007 0.000 0.714 173 K HN 0.325 nan 8.250 nan 0.000 0.438 174 Q N 0.344 120.085 119.800 -0.100 0.000 2.364 174 Q HA -0.043 4.315 4.340 0.029 0.000 0.207 174 Q C 0.025 175.897 176.000 -0.214 0.000 0.970 174 Q CA 0.708 56.411 55.803 -0.167 0.000 0.888 174 Q CB 0.103 28.697 28.738 -0.240 0.000 0.951 174 Q HN 0.221 nan 8.270 nan 0.000 0.469 175 N N 0.499 119.064 118.700 -0.225 0.000 2.723 175 N HA 0.116 4.873 4.740 0.029 0.000 0.290 175 N C -2.235 173.252 175.510 -0.039 0.000 1.882 175 N CA -0.873 52.068 53.050 -0.182 0.000 0.851 175 N CB 1.101 39.379 38.487 -0.347 0.000 1.234 175 N HN 0.079 nan 8.380 nan 0.000 0.491 176 P HA -0.184 nan 4.420 nan 0.000 0.216 176 P C 0.312 177.632 177.300 0.033 0.000 1.154 176 P CA 1.565 64.674 63.100 0.013 0.000 0.865 176 P CB 0.058 31.759 31.700 0.003 0.000 0.789 177 D N -0.718 119.698 120.400 0.027 0.000 2.395 177 D HA 0.103 4.760 4.640 0.029 0.000 0.250 177 D C 0.488 176.834 176.300 0.076 0.000 1.203 177 D CA 0.050 54.076 54.000 0.044 0.000 0.872 177 D CB -0.952 39.869 40.800 0.034 0.000 0.941 177 D HN 0.260 nan 8.370 nan 0.000 0.504 178 I N 0.366 120.995 120.570 0.098 0.000 2.499 178 I HA 0.235 4.422 4.170 0.029 0.000 0.288 178 I C -0.789 175.418 176.117 0.151 0.000 1.048 178 I CA -1.286 60.105 61.300 0.151 0.000 1.062 178 I CB 2.493 40.623 38.000 0.216 0.000 1.238 178 I HN -0.234 nan 8.210 nan 0.000 0.426 179 V N 7.414 127.410 119.914 0.138 0.000 2.394 179 V HA 0.460 4.597 4.120 0.029 0.000 0.282 179 V C 0.004 176.174 176.094 0.127 0.000 1.031 179 V CA -0.344 62.025 62.300 0.114 0.000 0.881 179 V CB 1.749 33.618 31.823 0.077 0.000 0.982 179 V HN 0.445 nan 8.190 nan 0.000 0.451 180 I N 5.440 126.082 120.570 0.119 0.000 2.410 180 I HA 0.387 4.574 4.170 0.029 0.000 0.286 180 I C -1.011 175.204 176.117 0.162 0.000 1.009 180 I CA -0.569 60.795 61.300 0.107 0.000 1.111 180 I CB 1.474 39.498 38.000 0.039 0.000 1.262 180 I HN 0.633 nan 8.210 nan 0.000 0.443 181 Y N 6.688 127.011 120.300 0.039 0.000 2.331 181 Y HA 0.396 4.963 4.550 0.029 0.000 0.338 181 Y C -0.348 175.625 175.900 0.122 0.000 0.976 181 Y CA -0.807 57.313 58.100 0.033 0.000 1.137 181 Y CB 0.973 39.387 38.460 -0.077 0.000 1.172 181 Y HN 0.521 nan 8.280 nan 0.000 0.478 182 Q N 6.635 126.296 119.800 -0.232 0.000 2.296 182 Q HA 0.248 4.605 4.340 0.029 0.000 0.257 182 Q C -1.812 173.918 176.000 -0.451 0.000 0.942 182 Q CA -0.688 54.961 55.803 -0.257 0.000 0.939 182 Q CB 2.003 30.683 28.738 -0.096 0.000 1.198 182 Q HN 0.726 nan 8.270 nan 0.000 0.429 183 Y N 3.615 123.685 120.300 -0.385 0.000 2.362 183 Y HA 0.308 4.876 4.550 0.029 0.000 0.326 183 Y C -0.136 175.766 175.900 0.003 0.000 1.083 183 Y CA -0.713 57.264 58.100 -0.205 0.000 1.073 183 Y CB 1.070 39.404 38.460 -0.210 0.000 1.211 183 Y HN 0.867 nan 8.280 nan 0.000 0.433 184 M N 2.193 121.487 119.600 -0.510 0.000 7.319 184 M HA -0.363 4.135 4.480 0.029 0.000 0.313 184 M C -0.058 176.203 176.300 -0.064 0.000 0.480 184 M CA 2.548 57.666 55.300 -0.304 0.000 1.311 184 M CB -0.966 31.514 32.600 -0.200 0.000 0.421 184 M HN 0.786 nan 8.290 nan 0.000 0.747 185 D N 0.829 121.181 120.400 -0.080 0.000 2.358 185 D HA 0.247 4.904 4.640 0.029 0.000 0.224 185 D C -0.684 175.602 176.300 -0.023 0.000 1.123 185 D CA 0.257 54.195 54.000 -0.104 0.000 0.833 185 D CB -0.227 40.449 40.800 -0.207 0.000 0.946 185 D HN 0.321 nan 8.370 nan 0.000 0.505 186 D N 0.124 120.533 120.400 0.015 0.000 2.299 186 D HA 0.419 5.076 4.640 0.029 0.000 0.243 186 D C 0.004 176.232 176.300 -0.119 0.000 0.982 186 D CA -0.442 53.497 54.000 -0.101 0.000 0.924 186 D CB 2.214 42.902 40.800 -0.187 0.000 1.238 186 D HN -0.113 nan 8.370 nan 0.000 0.484 187 L N 2.123 123.192 121.223 -0.257 0.000 2.415 187 L HA 0.275 4.632 4.340 0.029 0.000 0.268 187 L C -1.228 175.481 176.870 -0.269 0.000 0.984 187 L CA -0.795 53.941 54.840 -0.174 0.000 0.853 187 L CB 0.931 42.912 42.059 -0.130 0.000 1.215 187 L HN 0.248 nan 8.230 nan 0.000 0.419 188 Y N 2.760 122.965 120.300 -0.158 0.000 2.425 188 Y HA 0.312 4.880 4.550 0.029 0.000 0.347 188 Y C 0.318 176.201 175.900 -0.028 0.000 0.976 188 Y CA -0.638 57.373 58.100 -0.148 0.000 1.190 188 Y CB 1.161 39.477 38.460 -0.241 0.000 1.136 188 Y HN 0.158 nan 8.280 nan 0.000 0.517 189 V N 3.867 123.850 119.914 0.115 0.000 2.347 189 V HA 0.717 4.854 4.120 0.029 0.000 0.280 189 V C 0.521 176.775 176.094 0.267 0.000 1.021 189 V CA -0.703 61.684 62.300 0.145 0.000 0.847 189 V CB 0.938 32.801 31.823 0.066 0.000 0.990 189 V HN 0.905 nan 8.190 nan 0.000 0.444 190 G N 2.992 111.935 108.800 0.238 0.000 2.511 190 G HA2 0.831 4.809 3.960 0.029 0.000 0.318 190 G HA3 0.831 4.809 3.960 0.029 0.000 0.318 190 G C -0.576 174.476 174.900 0.253 0.000 1.210 190 G CA -0.134 45.108 45.100 0.237 0.000 0.969 190 G HN 1.098 nan 8.290 nan 0.000 0.484 191 S N -1.016 114.795 115.700 0.184 0.000 2.611 191 S HA 0.374 4.861 4.470 0.029 0.000 0.270 191 S C -1.423 173.228 174.600 0.085 0.000 1.131 191 S CA -0.714 57.596 58.200 0.183 0.000 0.826 191 S CB 1.905 65.322 63.200 0.362 0.000 1.095 191 S HN 0.321 nan 8.310 nan 0.000 0.461 192 D N 1.132 121.582 120.400 0.083 0.000 2.463 192 D HA 0.355 5.012 4.640 0.029 0.000 0.224 192 D C 0.288 176.623 176.300 0.058 0.000 1.174 192 D CA 0.007 54.037 54.000 0.050 0.000 0.829 192 D CB 0.088 40.911 40.800 0.040 0.000 0.993 192 D HN 0.458 nan 8.370 nan 0.000 0.497 193 L N 0.412 121.692 121.223 0.094 0.000 2.479 193 L HA 0.251 4.608 4.340 0.029 0.000 0.249 193 L C 1.065 177.985 176.870 0.083 0.000 1.178 193 L CA -0.691 54.206 54.840 0.095 0.000 0.811 193 L CB 0.679 42.819 42.059 0.135 0.000 1.187 193 L HN -0.207 nan 8.230 nan 0.000 0.480 194 E N 0.591 120.834 120.200 0.073 0.000 2.398 194 E HA -0.018 4.349 4.350 0.029 0.000 0.263 194 E C 1.257 177.911 176.600 0.089 0.000 1.046 194 E CA -0.081 56.356 56.400 0.061 0.000 0.908 194 E CB 0.876 30.606 29.700 0.050 0.000 0.963 194 E HN 0.525 nan 8.360 nan 0.000 0.431 195 I N -0.332 120.280 120.570 0.069 0.000 2.399 195 I HA -0.178 4.009 4.170 0.029 0.000 0.254 195 I C 1.651 177.844 176.117 0.127 0.000 1.146 195 I CA 1.710 63.065 61.300 0.092 0.000 1.412 195 I CB -0.485 37.548 38.000 0.054 0.000 1.076 195 I HN 0.531 nan 8.210 nan 0.000 0.432 196 G N 0.628 109.483 108.800 0.093 0.000 2.408 196 G HA2 -0.117 3.860 3.960 0.029 0.000 0.215 196 G HA3 -0.117 3.860 3.960 0.029 0.000 0.215 196 G C 1.597 176.550 174.900 0.088 0.000 1.156 196 G CA 0.404 45.553 45.100 0.082 0.000 0.793 196 G HN 0.543 nan 8.290 nan 0.000 0.535 197 Q N -0.567 119.287 119.800 0.091 0.000 2.119 197 Q HA -0.087 4.271 4.340 0.029 0.000 0.201 197 Q C 2.191 178.252 176.000 0.102 0.000 0.972 197 Q CA 1.311 57.163 55.803 0.081 0.000 0.847 197 Q CB -0.236 28.545 28.738 0.071 0.000 0.903 197 Q HN 0.698 nan 8.270 nan 0.000 0.433 198 H N 1.336 120.442 119.070 0.060 0.000 2.270 198 H HA -0.094 4.479 4.556 0.029 0.000 0.299 198 H C 2.233 177.610 175.328 0.082 0.000 1.077 198 H CA 1.936 58.030 56.048 0.076 0.000 1.294 198 H CB 0.056 29.861 29.762 0.073 0.000 1.371 198 H HN -0.019 nan 8.280 nan 0.000 0.491 199 R N 0.033 120.621 120.500 0.147 0.000 2.117 199 R HA -0.148 4.209 4.340 0.029 0.000 0.243 199 R C 1.843 178.161 176.300 0.030 0.000 1.143 199 R CA 2.049 58.201 56.100 0.086 0.000 0.968 199 R CB -0.801 29.567 30.300 0.113 0.000 0.863 199 R HN 0.441 nan 8.270 nan 0.000 0.444 200 T N 1.516 116.094 114.554 0.040 0.000 2.674 200 T HA -0.072 4.295 4.350 0.029 0.000 0.265 200 T C 1.770 176.492 174.700 0.037 0.000 1.039 200 T CA 1.273 63.396 62.100 0.038 0.000 1.150 200 T CB -0.042 68.850 68.868 0.040 0.000 0.864 200 T HN 0.203 nan 8.240 nan 0.000 0.427 201 K N 0.727 121.141 120.400 0.023 0.000 2.097 201 K HA 0.034 4.372 4.320 0.029 0.000 0.206 201 K C 2.155 178.819 176.600 0.107 0.000 1.049 201 K CA 0.815 57.150 56.287 0.081 0.000 0.933 201 K CB -0.663 31.878 32.500 0.070 0.000 0.717 201 K HN 0.279 nan 8.250 nan 0.000 0.442 202 I N 1.550 122.090 120.570 -0.050 0.000 2.264 202 I HA -0.248 3.939 4.170 0.029 0.000 0.248 202 I C 2.365 178.487 176.117 0.008 0.000 1.111 202 I CA 1.327 62.590 61.300 -0.061 0.000 1.382 202 I CB -0.414 37.526 38.000 -0.099 0.000 1.060 202 I HN 0.164 nan 8.210 nan 0.000 0.418 203 E N 0.619 120.840 120.200 0.035 0.000 2.106 203 E HA -0.260 4.107 4.350 0.029 0.000 0.192 203 E C 2.128 178.782 176.600 0.090 0.000 0.984 203 E CA 1.556 57.988 56.400 0.054 0.000 0.806 203 E CB -0.225 29.505 29.700 0.050 0.000 0.750 203 E HN 0.550 nan 8.360 nan 0.000 0.458 204 E N -0.117 120.165 120.200 0.136 0.000 2.072 204 E HA -0.166 4.201 4.350 0.029 0.000 0.191 204 E C 2.196 178.968 176.600 0.287 0.000 0.985 204 E CA 1.046 57.570 56.400 0.207 0.000 0.801 204 E CB -0.258 29.583 29.700 0.235 0.000 0.750 204 E HN 0.391 nan 8.360 nan 0.000 0.452 205 L N 0.818 122.190 121.223 0.248 0.000 1.994 205 L HA -0.202 4.155 4.340 0.029 0.000 0.208 205 L C 2.862 179.724 176.870 -0.014 0.000 1.071 205 L CA 1.673 56.462 54.840 -0.085 0.000 0.745 205 L CB -0.350 41.401 42.059 -0.513 0.000 0.892 205 L HN 0.181 nan 8.230 nan 0.000 0.431 206 R N -0.532 119.966 120.500 -0.004 0.000 2.117 206 R HA -0.248 4.109 4.340 0.029 0.000 0.243 206 R C 2.265 178.603 176.300 0.063 0.000 1.143 206 R CA 2.072 58.180 56.100 0.014 0.000 0.968 206 R CB -0.120 30.192 30.300 0.020 0.000 0.863 206 R HN 0.557 nan 8.270 nan 0.000 0.444 207 Q N -1.268 118.594 119.800 0.104 0.000 2.020 207 Q HA -0.210 4.148 4.340 0.029 0.000 0.198 207 Q C 2.087 178.205 176.000 0.197 0.000 0.974 207 Q CA 1.629 57.506 55.803 0.125 0.000 0.829 207 Q CB -0.319 28.491 28.738 0.118 0.000 0.894 207 Q HN 0.618 nan 8.270 nan 0.000 0.433 208 H N 0.832 119.983 119.070 0.135 0.000 2.289 208 H HA -0.194 4.379 4.556 0.029 0.000 0.294 208 H C 2.123 177.623 175.328 0.288 0.000 1.095 208 H CA 1.462 57.639 56.048 0.214 0.000 1.256 208 H CB -0.018 29.897 29.762 0.255 0.000 1.359 208 H HN 0.165 nan 8.280 nan 0.000 0.487 209 L N 0.097 121.382 121.223 0.104 0.000 2.012 209 L HA -0.217 4.140 4.340 0.029 0.000 0.210 209 L C 2.831 179.796 176.870 0.158 0.000 1.073 209 L CA 0.799 55.667 54.840 0.047 0.000 0.748 209 L CB -0.419 41.623 42.059 -0.028 0.000 0.891 209 L HN 0.304 nan 8.230 nan 0.000 0.431 210 L N -0.025 121.270 121.223 0.119 0.000 2.127 210 L HA -0.218 4.140 4.340 0.029 0.000 0.211 210 L C 2.678 179.593 176.870 0.075 0.000 1.089 210 L CA 1.623 56.519 54.840 0.092 0.000 0.757 210 L CB -0.614 41.488 42.059 0.072 0.000 0.899 210 L HN 0.111 nan 8.230 nan 0.000 0.434 211 R N -1.636 118.908 120.500 0.073 0.000 2.152 211 R HA -0.194 4.163 4.340 0.029 0.000 0.232 211 R C 1.173 177.317 176.300 -0.260 0.000 1.117 211 R CA 1.750 57.787 56.100 -0.104 0.000 0.981 211 R CB -0.286 29.931 30.300 -0.138 0.000 0.870 211 R HN 0.489 nan 8.270 nan 0.000 0.451 212 W N -0.835 120.457 121.300 -0.013 0.000 3.330 212 W HA 0.298 4.975 4.660 0.029 0.000 0.348 212 W C 1.175 177.691 176.519 -0.005 0.000 1.205 212 W CA 0.483 57.815 57.345 -0.021 0.000 1.841 212 W CB 0.459 29.877 29.460 -0.071 0.000 1.084 212 W HN 0.260 nan 8.180 nan 0.000 0.665 213 G N 0.208 109.096 108.800 0.146 0.000 2.195 213 G HA2 -0.301 3.677 3.960 0.029 0.000 0.246 213 G HA3 -0.301 3.677 3.960 0.029 0.000 0.246 213 G C 0.141 175.114 174.900 0.121 0.000 0.984 213 G CA -0.263 44.905 45.100 0.113 0.000 0.633 213 G HN 0.142 nan 8.290 nan 0.000 0.525 214 L N 3.090 124.397 121.223 0.140 0.000 2.363 214 L HA 0.400 4.757 4.340 0.029 0.000 0.286 214 L C 1.075 177.998 176.870 0.089 0.000 1.106 214 L CA 0.349 55.260 54.840 0.117 0.000 0.859 214 L CB 0.335 42.454 42.059 0.100 0.000 1.223 214 L HN 0.372 nan 8.230 nan 0.000 0.446 215 T N -0.739 113.865 114.554 0.083 0.000 2.806 215 T HA 0.379 4.747 4.350 0.029 0.000 0.290 215 T C 0.024 174.758 174.700 0.057 0.000 0.966 215 T CA -0.630 61.510 62.100 0.066 0.000 1.060 215 T CB 1.823 70.729 68.868 0.063 0.000 0.927 215 T HN 0.448 nan 8.240 nan 0.000 0.485 216 T N 3.272 117.855 114.554 0.047 0.000 2.863 216 T HA 0.650 5.018 4.350 0.029 0.000 0.285 216 T C -2.502 172.226 174.700 0.047 0.000 1.009 216 T CA -1.518 60.606 62.100 0.039 0.000 0.989 216 T CB 0.782 69.662 68.868 0.020 0.000 1.004 216 T HN 0.553 nan 8.240 nan 0.000 0.455 220 K N 1.054 121.412 120.400 -0.069 0.000 1.967 220 K HA -0.025 4.312 4.320 0.029 0.000 0.212 220 K C 1.684 178.202 176.600 -0.138 0.000 1.044 220 K CA 1.334 57.527 56.287 -0.158 0.000 0.942 220 K CB -0.249 32.057 32.500 -0.323 0.000 0.726 220 K HN 0.214 nan 8.250 nan 0.000 0.440 221 H N 1.311 120.396 119.070 0.025 0.000 2.456 221 H HA -0.026 4.547 4.556 0.029 0.000 0.296 221 H C 0.598 175.946 175.328 0.033 0.000 1.079 221 H CA 0.544 56.607 56.048 0.026 0.000 1.322 221 H CB -0.131 29.643 29.762 0.020 0.000 1.388 221 H HN 0.215 nan 8.280 nan 0.000 0.538 222 Q N 2.414 122.291 119.800 0.129 0.000 3.520 222 Q HA -0.134 4.223 4.340 0.029 0.000 0.395 222 Q C 0.023 176.085 176.000 0.103 0.000 1.035 222 Q CA 1.002 56.863 55.803 0.096 0.000 1.260 222 Q CB 0.101 28.880 28.738 0.069 0.000 1.061 222 Q HN 0.469 nan 8.270 nan 0.000 0.469 223 K N 3.011 123.482 120.400 0.118 0.000 2.144 223 K HA 0.337 4.675 4.320 0.029 0.000 0.270 223 K C 0.078 176.803 176.600 0.209 0.000 1.005 223 K CA -0.537 55.852 56.287 0.169 0.000 0.932 223 K CB 1.049 33.665 32.500 0.194 0.000 1.021 223 K HN 0.405 nan 8.250 nan 0.000 0.462 224 E N 1.543 121.848 120.200 0.176 0.000 2.393 224 E HA 0.357 4.725 4.350 0.029 0.000 0.273 224 E C -2.595 173.866 176.600 -0.231 0.000 0.918 224 E CA -2.206 54.223 56.400 0.048 0.000 0.773 224 E CB 1.604 31.316 29.700 0.020 0.000 1.275 224 E HN 0.300 nan 8.360 nan 0.000 0.451 225 P HA 0.158 nan 4.420 nan 0.000 0.272 225 P C -2.155 174.950 177.300 -0.325 0.000 1.230 225 P CA -0.734 61.863 63.100 -0.837 0.000 0.788 225 P CB -0.120 31.226 31.700 -0.590 0.000 0.949 226 P HA 0.228 nan 4.420 nan 0.000 0.275 226 P C -1.100 175.961 177.300 -0.398 0.000 1.266 226 P CA 0.118 62.938 63.100 -0.467 0.000 0.793 226 P CB 0.488 31.805 31.700 -0.639 0.000 1.074 227 F N -1.162 118.804 119.950 0.027 0.000 2.492 227 F HA 0.409 4.953 4.527 0.028 0.000 0.327 227 F C 0.524 176.406 175.800 0.138 0.000 1.079 227 F CA -0.971 57.098 58.000 0.115 0.000 0.967 227 F CB 1.082 40.172 39.000 0.150 0.000 1.169 227 F HN -0.006 nan 8.300 nan 0.000 0.472 228 L N 2.759 124.209 121.223 0.379 0.000 2.265 228 L HA 0.278 4.635 4.340 0.029 0.000 0.288 228 L C -0.936 176.160 176.870 0.377 0.000 1.058 228 L CA -0.230 54.783 54.840 0.289 0.000 0.809 228 L CB 0.928 43.098 42.059 0.185 0.000 1.179 228 L HN 0.607 nan 8.230 nan 0.000 0.429 229 W N 6.441 127.789 121.300 0.079 0.000 3.211 229 W HA 0.216 4.892 4.660 0.028 0.000 0.335 229 W C -0.100 176.478 176.519 0.099 0.000 1.113 229 W CA -0.782 56.567 57.345 0.007 0.000 1.235 229 W CB 1.684 31.106 29.460 -0.063 0.000 1.365 229 W HN 0.525 nan 8.180 nan 0.000 0.476 230 M N 4.553 123.953 119.600 -0.334 0.000 2.480 230 M HA -0.294 4.203 4.480 0.029 0.000 0.192 230 M C 1.092 177.438 176.300 0.076 0.000 0.489 230 M CA 1.944 57.163 55.300 -0.135 0.000 0.472 230 M CB -1.797 30.788 32.600 -0.024 0.000 1.682 230 M HN 0.941 nan 8.290 nan 0.000 0.796 231 G N -1.637 107.144 108.800 -0.032 0.000 2.141 231 G HA2 -0.261 3.716 3.960 0.029 0.000 0.231 231 G HA3 -0.261 3.716 3.960 0.029 0.000 0.231 231 G C -0.419 174.454 174.900 -0.045 0.000 0.984 231 G CA 0.172 45.170 45.100 -0.169 0.000 0.660 231 G HN 0.561 nan 8.290 nan 0.000 0.525 232 Y N 0.018 120.424 120.300 0.176 0.000 2.562 232 Y HA 0.673 5.239 4.550 0.028 0.000 0.343 232 Y C 0.464 176.490 175.900 0.210 0.000 1.025 232 Y CA -1.195 57.038 58.100 0.222 0.000 1.082 232 Y CB 1.370 39.912 38.460 0.136 0.000 1.264 232 Y HN 0.100 nan 8.280 nan 0.000 0.478 233 E N 2.260 122.684 120.200 0.375 0.000 2.129 233 E HA 0.410 4.777 4.350 0.029 0.000 0.268 233 E C -1.399 175.283 176.600 0.137 0.000 0.900 233 E CA -0.464 56.048 56.400 0.187 0.000 0.755 233 E CB 1.261 31.026 29.700 0.108 0.000 1.117 233 E HN 0.429 nan 8.360 nan 0.000 0.410 234 L N 4.876 126.168 121.223 0.115 0.000 2.257 234 L HA 0.315 4.672 4.340 0.029 0.000 0.290 234 L C 0.166 177.012 176.870 -0.040 0.000 1.044 234 L CA -0.547 54.404 54.840 0.186 0.000 0.810 234 L CB 0.272 42.505 42.059 0.290 0.000 1.193 234 L HN 0.432 nan 8.230 nan 0.000 0.425 235 H N 4.167 123.402 119.070 0.275 0.000 2.525 235 H HA 0.237 4.810 4.556 0.028 0.000 0.340 235 H C -1.598 173.894 175.328 0.273 0.000 1.168 235 H CA -1.943 54.200 56.048 0.157 0.000 1.247 235 H CB 1.696 31.517 29.762 0.098 0.000 1.568 235 H HN 0.372 nan 8.280 nan 0.000 0.536 236 P HA -0.151 nan 4.420 nan 0.000 0.219 236 P C 0.618 178.127 177.300 0.349 0.000 1.146 236 P CA 1.409 64.665 63.100 0.260 0.000 0.808 236 P CB 0.417 32.194 31.700 0.129 0.000 0.779 237 D N -1.293 119.280 120.400 0.289 0.000 2.392 237 D HA 0.028 4.685 4.640 0.029 0.000 0.206 237 D C 0.915 177.263 176.300 0.079 0.000 1.046 237 D CA 0.603 54.724 54.000 0.203 0.000 0.865 237 D CB 0.145 40.992 40.800 0.079 0.000 0.969 237 D HN 0.234 nan 8.370 nan 0.000 0.509 238 K N -0.503 119.896 120.400 -0.002 0.000 2.680 238 K HA 0.213 4.550 4.320 0.029 0.000 0.295 238 K C -1.457 175.045 176.600 -0.163 0.000 1.052 238 K CA -0.798 55.216 56.287 -0.456 0.000 0.863 238 K CB 0.551 32.851 32.500 -0.334 0.000 1.549 238 K HN 0.139 nan 8.250 nan 0.000 0.391 239 W N 0.250 121.408 121.300 -0.236 0.000 2.850 239 W HA 0.752 5.428 4.660 0.027 0.000 0.349 239 W C -1.020 175.620 176.519 0.202 0.000 1.133 239 W CA -0.861 56.532 57.345 0.079 0.000 1.117 239 W CB 0.800 30.299 29.460 0.065 0.000 1.442 239 W HN 0.815 nan 8.180 nan 0.000 0.575 240 T N -1.942 113.009 114.554 0.660 0.000 2.868 240 T HA 0.509 4.876 4.350 0.029 0.000 0.306 240 T C -1.255 173.785 174.700 0.566 0.000 1.224 240 T CA -0.722 61.681 62.100 0.505 0.000 1.012 240 T CB 1.739 70.827 68.868 0.367 0.000 1.221 240 T HN 0.377 nan 8.240 nan 0.000 0.499 241 V N 2.479 122.644 119.914 0.418 0.000 2.461 241 V HA 0.257 4.394 4.120 0.029 0.000 0.275 241 V C 0.612 176.858 176.094 0.253 0.000 1.047 241 V CA -0.667 61.807 62.300 0.291 0.000 0.955 241 V CB 0.935 32.902 31.823 0.241 0.000 0.988 241 V HN 0.908 nan 8.190 nan 0.000 0.471 242 Q N 5.784 125.702 119.800 0.196 0.000 2.239 242 Q HA 0.113 4.470 4.340 0.029 0.000 0.286 242 Q C -2.235 173.862 176.000 0.162 0.000 1.102 242 Q CA -1.263 54.631 55.803 0.151 0.000 0.936 242 Q CB -0.180 28.609 28.738 0.085 0.000 1.127 242 Q HN 0.514 nan 8.270 nan 0.000 0.380 243 P HA -0.093 nan 4.420 nan 0.000 0.261 243 P C -0.720 176.637 177.300 0.096 0.000 1.173 243 P CA 0.503 63.690 63.100 0.145 0.000 0.760 243 P CB 0.383 32.149 31.700 0.111 0.000 0.783 244 I N 4.366 124.984 120.570 0.082 0.000 2.330 244 I HA 0.278 4.465 4.170 0.029 0.000 0.289 244 I C -0.426 175.695 176.117 0.006 0.000 1.001 244 I CA -1.100 60.224 61.300 0.040 0.000 1.193 244 I CB 0.940 38.978 38.000 0.064 0.000 1.345 244 I HN 0.043 nan 8.210 nan 0.000 0.461 245 V N 6.368 126.291 119.914 0.014 0.000 2.439 245 V HA 0.475 4.612 4.120 0.029 0.000 0.282 245 V C -0.292 175.820 176.094 0.031 0.000 1.039 245 V CA -0.651 61.659 62.300 0.016 0.000 0.913 245 V CB 1.297 33.131 31.823 0.018 0.000 0.983 245 V HN 0.596 nan 8.190 nan 0.000 0.460 246 L N 7.009 128.258 121.223 0.043 0.000 2.264 246 L HA 0.423 4.780 4.340 0.029 0.000 0.287 246 L C -1.910 175.037 176.870 0.129 0.000 1.039 246 L CA -1.662 53.234 54.840 0.093 0.000 0.829 246 L CB 1.659 43.765 42.059 0.078 0.000 1.211 246 L HN 0.540 nan 8.230 nan 0.000 0.427 247 P HA -0.097 nan 4.420 nan 0.000 0.247 247 P C -0.199 177.157 177.300 0.093 0.000 1.147 247 P CA -0.048 63.087 63.100 0.058 0.000 0.964 247 P CB 0.294 31.977 31.700 -0.029 0.000 0.944 248 E N 3.990 124.245 120.200 0.091 0.000 2.406 248 E HA 0.061 4.429 4.350 0.029 0.000 0.258 248 E C -0.355 176.247 176.600 0.003 0.000 1.043 248 E CA 0.489 56.967 56.400 0.130 0.000 0.929 248 E CB 0.196 29.947 29.700 0.085 0.000 0.969 248 E HN 0.301 nan 8.360 nan 0.000 0.462 249 K N 2.638 123.024 120.400 -0.023 0.000 2.372 249 K HA 0.355 4.693 4.320 0.029 0.000 0.251 249 K C -0.552 175.997 176.600 -0.085 0.000 1.055 249 K CA -0.449 55.671 56.287 -0.278 0.000 0.879 249 K CB 1.153 33.116 32.500 -0.895 0.000 1.384 249 K HN 0.480 nan 8.250 nan 0.000 0.465 250 D N -1.337 118.974 120.400 -0.148 0.000 2.520 250 D HA 0.063 4.720 4.640 0.029 0.000 0.223 250 D C -0.506 175.783 176.300 -0.018 0.000 1.186 250 D CA -0.120 53.875 54.000 -0.007 0.000 0.821 250 D CB 0.881 41.675 40.800 -0.009 0.000 1.072 250 D HN 0.167 nan 8.370 nan 0.000 0.518 251 S N 0.269 115.866 115.700 -0.172 0.000 2.571 251 S HA 0.408 4.895 4.470 0.029 0.000 0.238 251 S C -2.010 172.465 174.600 -0.208 0.000 1.153 251 S CA -0.673 57.465 58.200 -0.103 0.000 1.141 251 S CB -0.176 62.966 63.200 -0.097 0.000 1.133 251 S HN 0.160 nan 8.310 nan 0.000 0.464 252 W N 3.960 125.258 121.300 -0.003 0.000 2.291 252 W HA 0.426 5.105 4.660 0.030 0.000 0.312 252 W C 1.070 177.588 176.519 -0.002 0.000 1.061 252 W CA -0.531 56.812 57.345 -0.003 0.000 1.296 252 W CB 1.156 30.615 29.460 -0.002 0.000 1.223 252 W HN 0.619 nan 8.180 nan 0.000 0.421 253 T N -1.552 113.106 114.554 0.174 0.000 2.824 253 T HA 0.236 4.603 4.350 0.029 0.000 0.277 253 T C 0.954 175.738 174.700 0.139 0.000 0.975 253 T CA -0.738 61.431 62.100 0.115 0.000 0.966 253 T CB 1.238 70.137 68.868 0.053 0.000 1.054 253 T HN 0.169 nan 8.240 nan 0.000 0.533 254 V N 1.644 121.613 119.914 0.091 0.000 2.343 254 V HA -0.172 3.965 4.120 0.029 0.000 0.247 254 V C 2.721 178.864 176.094 0.081 0.000 1.051 254 V CA 2.176 64.523 62.300 0.078 0.000 1.036 254 V CB -1.349 30.505 31.823 0.050 0.000 0.654 254 V HN 0.884 nan 8.190 nan 0.000 0.451 255 N N 0.033 118.774 118.700 0.069 0.000 2.104 255 N HA -0.201 4.556 4.740 0.029 0.000 0.190 255 N C 1.510 177.073 175.510 0.089 0.000 1.024 255 N CA 1.513 54.599 53.050 0.060 0.000 0.853 255 N CB -0.131 38.379 38.487 0.038 0.000 1.008 255 N HN 0.516 nan 8.380 nan 0.000 0.424 256 D N 0.823 121.299 120.400 0.126 0.000 2.117 256 D HA -0.109 4.548 4.640 0.029 0.000 0.197 256 D C 1.940 178.423 176.300 0.306 0.000 0.987 256 D CA 0.880 55.005 54.000 0.208 0.000 0.829 256 D CB -0.224 40.717 40.800 0.234 0.000 0.961 256 D HN 0.379 nan 8.370 nan 0.000 0.460 257 I N 0.794 121.517 120.570 0.256 0.000 2.315 257 I HA -0.237 3.950 4.170 0.029 0.000 0.248 257 I C 2.476 178.637 176.117 0.073 0.000 1.117 257 I CA 0.920 62.301 61.300 0.135 0.000 1.404 257 I CB -0.247 37.796 38.000 0.073 0.000 1.071 257 I HN -0.042 nan 8.210 nan 0.000 0.419 258 Q N 1.017 120.861 119.800 0.073 0.000 2.016 258 Q HA -0.190 4.168 4.340 0.029 0.000 0.200 258 Q C 2.246 178.280 176.000 0.056 0.000 0.978 258 Q CA 1.345 57.179 55.803 0.051 0.000 0.833 258 Q CB -0.135 28.629 28.738 0.044 0.000 0.895 258 Q HN 0.415 nan 8.270 nan 0.000 0.427 259 K N 0.507 120.948 120.400 0.068 0.000 2.074 259 K HA -0.215 4.122 4.320 0.029 0.000 0.209 259 K C 2.103 178.747 176.600 0.073 0.000 1.048 259 K CA 1.213 57.537 56.287 0.062 0.000 0.926 259 K CB -0.291 32.247 32.500 0.063 0.000 0.713 259 K HN 0.062 nan 8.250 nan 0.000 0.444 260 L N 0.980 122.266 121.223 0.104 0.000 1.970 260 L HA -0.191 4.167 4.340 0.029 0.000 0.212 260 L C 2.051 178.950 176.870 0.047 0.000 1.071 260 L CA 1.595 56.491 54.840 0.094 0.000 0.751 260 L CB -0.521 41.597 42.059 0.100 0.000 0.889 260 L HN -0.071 nan 8.230 nan 0.000 0.432 261 V N 0.336 120.267 119.914 0.029 0.000 2.453 261 V HA -0.267 3.871 4.120 0.029 0.000 0.252 261 V C 2.594 178.716 176.094 0.047 0.000 1.068 261 V CA 1.756 64.068 62.300 0.021 0.000 1.070 261 V CB -1.828 30.002 31.823 0.012 0.000 0.664 261 V HN 0.674 nan 8.190 nan 0.000 0.461 262 G N -0.139 108.695 108.800 0.056 0.000 2.433 262 G HA2 -0.233 3.744 3.960 0.029 0.000 0.216 262 G HA3 -0.233 3.744 3.960 0.029 0.000 0.216 262 G C 1.645 176.609 174.900 0.107 0.000 1.186 262 G CA 0.825 45.968 45.100 0.073 0.000 0.779 262 G HN 0.478 nan 8.290 nan 0.000 0.543 263 K N -0.213 120.241 120.400 0.090 0.000 2.097 263 K HA 0.054 4.391 4.320 0.029 0.000 0.206 263 K C 2.413 179.110 176.600 0.162 0.000 1.049 263 K CA 0.555 56.913 56.287 0.119 0.000 0.933 263 K CB -0.209 32.331 32.500 0.066 0.000 0.717 263 K HN 0.143 nan 8.250 nan 0.000 0.442 264 L N 1.705 122.986 121.223 0.096 0.000 2.093 264 L HA -0.173 4.184 4.340 0.029 0.000 0.208 264 L C 2.209 179.129 176.870 0.084 0.000 1.085 264 L CA 1.426 56.305 54.840 0.065 0.000 0.755 264 L CB -1.289 40.780 42.059 0.017 0.000 0.904 264 L HN 0.385 nan 8.230 nan 0.000 0.435 265 N N -0.454 118.306 118.700 0.099 0.000 2.120 265 N HA -0.264 4.494 4.740 0.029 0.000 0.188 265 N C 1.939 177.520 175.510 0.117 0.000 1.024 265 N CA 1.392 54.497 53.050 0.092 0.000 0.852 265 N CB -0.145 38.400 38.487 0.096 0.000 1.003 265 N HN 0.404 nan 8.380 nan 0.000 0.424 266 W N 1.697 123.008 121.300 0.017 0.000 2.402 266 W HA 0.062 4.741 4.660 0.032 0.000 0.286 266 W C 2.348 178.889 176.519 0.037 0.000 1.221 266 W CA 1.831 59.188 57.345 0.021 0.000 1.257 266 W CB -0.353 29.111 29.460 0.007 0.000 1.120 266 W HN 0.142 nan 8.180 nan 0.000 0.551 267 A N -0.661 122.235 122.820 0.125 0.000 2.014 267 A HA -0.120 4.217 4.320 0.029 0.000 0.218 267 A C 1.974 179.565 177.584 0.012 0.000 1.163 267 A CA 1.738 53.817 52.037 0.071 0.000 0.652 267 A CB -1.017 18.053 19.000 0.116 0.000 0.808 267 A HN 0.177 nan 8.150 nan 0.000 0.449 268 S N 0.123 115.806 115.700 -0.028 0.000 2.469 268 S HA -0.150 4.338 4.470 0.029 0.000 0.238 268 S C 1.956 176.486 174.600 -0.117 0.000 0.998 268 S CA 1.157 59.335 58.200 -0.037 0.000 0.957 268 S CB -0.212 62.971 63.200 -0.030 0.000 0.764 268 S HN 0.598 nan 8.310 nan 0.000 0.514 269 Q N 0.613 120.273 119.800 -0.232 0.000 2.083 269 Q HA 0.104 4.461 4.340 0.029 0.000 0.198 269 Q C 2.064 177.887 176.000 -0.296 0.000 0.969 269 Q CA 1.097 56.708 55.803 -0.319 0.000 0.838 269 Q CB -0.243 28.211 28.738 -0.473 0.000 0.900 269 Q HN 0.575 nan 8.270 nan 0.000 0.436 270 I N -1.635 118.763 120.570 -0.286 0.000 2.810 270 I HA -0.050 4.137 4.170 0.029 0.000 0.262 270 I C 0.180 176.153 176.117 -0.241 0.000 1.131 270 I CA 0.136 61.283 61.300 -0.255 0.000 1.453 270 I CB 0.185 37.983 38.000 -0.336 0.000 1.161 270 I HN -0.043 nan 8.210 nan 0.000 0.444 271 Y N 2.110 122.351 120.300 -0.099 0.000 2.308 271 Y HA 0.344 4.911 4.550 0.027 0.000 0.329 271 Y C -2.289 173.579 175.900 -0.053 0.000 1.111 271 Y CA -2.563 55.509 58.100 -0.046 0.000 1.179 271 Y CB 0.230 38.676 38.460 -0.023 0.000 1.201 271 Y HN -0.142 nan 8.280 nan 0.000 0.483 272 P HA 0.246 nan 4.420 nan 0.000 0.281 272 P C 0.546 177.882 177.300 0.059 0.000 1.249 272 P CA 0.337 63.465 63.100 0.046 0.000 0.810 272 P CB 1.246 32.961 31.700 0.025 0.000 1.008 273 G N 1.553 110.368 108.800 0.026 0.000 2.212 273 G HA2 -0.224 3.753 3.960 0.029 0.000 0.266 273 G HA3 -0.224 3.753 3.960 0.029 0.000 0.266 273 G C 0.339 175.246 174.900 0.011 0.000 0.978 273 G CA -0.411 44.700 45.100 0.017 0.000 0.632 273 G HN 0.446 nan 8.290 nan 0.000 0.537 274 I N 0.757 121.337 120.570 0.018 0.000 2.815 274 I HA 0.286 4.473 4.170 0.029 0.000 0.291 274 I C 0.762 176.873 176.117 -0.010 0.000 1.209 274 I CA 0.956 62.255 61.300 -0.001 0.000 1.431 274 I CB 0.699 38.702 38.000 0.005 0.000 1.351 274 I HN 0.189 nan 8.210 nan 0.000 0.585 275 K N 3.765 124.153 120.400 -0.020 0.000 2.498 275 K HA 0.473 4.810 4.320 0.029 0.000 0.254 275 K C 0.022 176.603 176.600 -0.031 0.000 0.933 275 K CA -0.517 55.756 56.287 -0.023 0.000 0.806 275 K CB 2.773 35.258 32.500 -0.024 0.000 1.301 275 K HN 0.387 nan 8.250 nan 0.000 0.432 276 V N -1.109 118.789 119.914 -0.028 0.000 3.382 276 V HA 0.189 4.326 4.120 0.029 0.000 0.296 276 V C 1.634 177.707 176.094 -0.036 0.000 1.529 276 V CA -0.074 62.205 62.300 -0.035 0.000 1.048 276 V CB 0.321 32.131 31.823 -0.021 0.000 0.878 276 V HN 0.785 nan 8.190 nan 0.000 0.442 277 R N 0.688 121.170 120.500 -0.030 0.000 2.112 277 R HA -0.213 4.145 4.340 0.029 0.000 0.242 277 R C 2.278 178.557 176.300 -0.035 0.000 1.137 277 R CA 2.683 58.766 56.100 -0.027 0.000 0.944 277 R CB -0.138 30.147 30.300 -0.025 0.000 0.857 277 R HN 0.556 nan 8.270 nan 0.000 0.435 278 Q N -0.109 119.664 119.800 -0.045 0.000 2.230 278 Q HA -0.006 4.351 4.340 0.029 0.000 0.202 278 Q C 0.804 176.761 176.000 -0.071 0.000 0.963 278 Q CA 0.488 56.259 55.803 -0.053 0.000 0.866 278 Q CB 0.020 28.724 28.738 -0.057 0.000 0.931 278 Q HN 0.259 nan 8.270 nan 0.000 0.452 282 L N 1.643 122.847 121.223 -0.033 0.000 2.353 282 L HA -0.052 4.305 4.340 0.029 0.000 0.220 282 L C 1.615 178.481 176.870 -0.007 0.000 1.133 282 L CA 1.301 56.126 54.840 -0.026 0.000 0.798 282 L CB -0.348 41.684 42.059 -0.046 0.000 0.922 282 L HN 0.194 nan 8.230 nan 0.000 0.445 283 L N -1.008 120.212 121.223 -0.006 0.000 2.492 283 L HA 0.026 4.383 4.340 0.029 0.000 0.223 283 L C 1.153 178.027 176.870 0.006 0.000 1.132 283 L CA 0.524 55.367 54.840 0.005 0.000 0.850 283 L CB -0.720 41.342 42.059 0.006 0.000 0.966 283 L HN 0.149 nan 8.230 nan 0.000 0.454 284 R N 0.209 120.710 120.500 0.002 0.000 2.502 284 R HA 0.233 4.590 4.340 0.029 0.000 0.292 284 R C 1.236 177.539 176.300 0.005 0.000 0.998 284 R CA 0.674 56.775 56.100 0.002 0.000 1.056 284 R CB -0.338 29.961 30.300 -0.001 0.000 0.939 284 R HN 0.319 nan 8.270 nan 0.000 0.411 285 G N 2.541 111.344 108.800 0.006 0.000 2.296 285 G HA2 -0.338 3.640 3.960 0.029 0.000 0.282 285 G HA3 -0.338 3.640 3.960 0.029 0.000 0.282 285 G C 0.259 175.165 174.900 0.010 0.000 1.014 285 G CA 0.748 45.852 45.100 0.008 0.000 0.812 285 G HN 0.749 nan 8.290 nan 0.000 0.508 286 T N -1.708 112.854 114.554 0.012 0.000 2.888 286 T HA 0.468 4.835 4.350 0.029 0.000 0.301 286 T C 1.405 176.114 174.700 0.015 0.000 1.001 286 T CA 0.294 62.403 62.100 0.016 0.000 1.147 286 T CB 1.598 70.478 68.868 0.020 0.000 0.931 286 T HN 0.680 nan 8.240 nan 0.000 0.541 287 K N 1.226 121.635 120.400 0.015 0.000 2.400 287 K HA 0.497 4.834 4.320 0.029 0.000 0.194 287 K C 0.473 177.082 176.600 0.015 0.000 1.033 287 K CA -0.116 56.180 56.287 0.014 0.000 1.021 287 K CB 0.325 32.833 32.500 0.012 0.000 0.808 287 K HN 0.761 nan 8.250 nan 0.000 0.505 288 A N 0.397 123.227 122.820 0.017 0.000 2.590 288 A HA 0.287 4.624 4.320 0.029 0.000 0.294 288 A C 0.134 177.731 177.584 0.021 0.000 1.046 288 A CA -0.823 51.224 52.037 0.017 0.000 0.684 288 A CB 0.501 19.511 19.000 0.015 0.000 1.279 288 A HN -0.025 nan 8.150 nan 0.000 0.415 289 L N 0.837 122.072 121.223 0.021 0.000 2.042 289 L HA -0.111 4.246 4.340 0.029 0.000 0.210 289 L C 2.604 179.490 176.870 0.027 0.000 1.076 289 L CA 2.949 57.804 54.840 0.024 0.000 0.749 289 L CB -1.813 40.258 42.059 0.020 0.000 0.893 289 L HN 1.034 nan 8.230 nan 0.000 0.432 290 T N -3.074 111.493 114.554 0.020 0.000 3.148 290 T HA -0.025 4.342 4.350 0.029 0.000 0.253 290 T C 0.758 175.472 174.700 0.022 0.000 1.134 290 T CA -0.261 61.850 62.100 0.018 0.000 1.051 290 T CB -0.282 68.592 68.868 0.010 0.000 0.959 290 T HN 0.296 nan 8.240 nan 0.000 0.525 291 E N 1.579 121.795 120.200 0.027 0.000 2.376 291 E HA 0.215 4.582 4.350 0.029 0.000 0.266 291 E C -0.855 175.771 176.600 0.044 0.000 1.009 291 E CA -0.402 56.016 56.400 0.030 0.000 0.902 291 E CB 0.667 30.384 29.700 0.029 0.000 0.972 291 E HN 0.125 nan 8.360 nan 0.000 0.439 292 V N 6.479 126.419 119.914 0.043 0.000 2.385 292 V HA 0.213 4.351 4.120 0.029 0.000 0.269 292 V C -0.153 175.983 176.094 0.069 0.000 1.043 292 V CA -0.454 61.883 62.300 0.062 0.000 0.906 292 V CB 0.585 32.435 31.823 0.046 0.000 0.995 292 V HN 0.502 nan 8.190 nan 0.000 0.467 293 I N 8.265 128.892 120.570 0.094 0.000 2.362 293 I HA 0.446 4.634 4.170 0.029 0.000 0.289 293 I C -2.024 174.148 176.117 0.092 0.000 0.994 293 I CA -2.308 59.037 61.300 0.074 0.000 1.158 293 I CB 1.830 39.861 38.000 0.052 0.000 1.315 293 I HN 0.439 nan 8.210 nan 0.000 0.451 294 P HA 0.170 nan 4.420 nan 0.000 0.271 294 P C -0.772 176.544 177.300 0.026 0.000 1.216 294 P CA -0.280 62.862 63.100 0.069 0.000 0.776 294 P CB 0.677 32.406 31.700 0.048 0.000 0.881 295 L N 2.816 124.044 121.223 0.008 0.000 2.360 295 L HA 0.164 4.521 4.340 0.029 0.000 0.276 295 L C 1.823 178.666 176.870 -0.045 0.000 1.121 295 L CA -0.478 54.318 54.840 -0.075 0.000 0.845 295 L CB 0.035 41.995 42.059 -0.165 0.000 1.143 295 L HN 0.486 nan 8.230 nan 0.000 0.452 296 T N -1.303 113.220 114.554 -0.051 0.000 2.619 296 T HA -0.055 4.312 4.350 0.029 0.000 0.330 296 T C 1.003 175.681 174.700 -0.037 0.000 1.037 296 T CA 0.040 62.119 62.100 -0.034 0.000 1.005 296 T CB 1.002 69.849 68.868 -0.035 0.000 1.084 296 T HN 0.773 nan 8.240 nan 0.000 0.521 297 E N 0.196 120.380 120.200 -0.027 0.000 2.028 297 E HA -0.151 4.216 4.350 0.029 0.000 0.190 297 E C 2.027 178.606 176.600 -0.034 0.000 0.984 297 E CA 1.104 57.489 56.400 -0.025 0.000 0.800 297 E CB -0.182 29.509 29.700 -0.016 0.000 0.758 297 E HN 0.769 nan 8.360 nan 0.000 0.448 298 E N 0.643 120.821 120.200 -0.035 0.000 2.160 298 E HA -0.185 4.182 4.350 0.029 0.000 0.195 298 E C 1.734 178.300 176.600 -0.058 0.000 0.991 298 E CA 1.238 57.614 56.400 -0.040 0.000 0.810 298 E CB -0.306 29.373 29.700 -0.035 0.000 0.742 298 E HN 0.399 nan 8.360 nan 0.000 0.466 299 A N 0.720 123.496 122.820 -0.074 0.000 1.897 299 A HA -0.165 4.173 4.320 0.029 0.000 0.215 299 A C 2.131 179.639 177.584 -0.128 0.000 1.181 299 A CA 1.478 53.447 52.037 -0.113 0.000 0.620 299 A CB -0.377 18.541 19.000 -0.137 0.000 0.821 299 A HN 0.150 nan 8.150 nan 0.000 0.443 300 E N -0.545 119.596 120.200 -0.098 0.000 2.153 300 E HA -0.136 4.232 4.350 0.029 0.000 0.194 300 E C 1.705 178.269 176.600 -0.059 0.000 0.988 300 E CA 0.848 57.200 56.400 -0.079 0.000 0.811 300 E CB -0.237 29.439 29.700 -0.040 0.000 0.746 300 E HN 0.447 nan 8.360 nan 0.000 0.466 301 L N 1.223 122.414 121.223 -0.053 0.000 1.982 301 L HA -0.092 4.265 4.340 0.029 0.000 0.206 301 L C 2.128 178.971 176.870 -0.045 0.000 1.078 301 L CA 2.476 57.292 54.840 -0.040 0.000 0.749 301 L CB -1.142 40.898 42.059 -0.032 0.000 0.894 301 L HN 0.312 nan 8.230 nan 0.000 0.436 302 E N -0.525 119.642 120.200 -0.054 0.000 2.160 302 E HA -0.280 4.087 4.350 0.029 0.000 0.195 302 E C 2.099 178.659 176.600 -0.065 0.000 0.991 302 E CA 1.582 57.950 56.400 -0.053 0.000 0.810 302 E CB -0.815 28.853 29.700 -0.055 0.000 0.742 302 E HN 0.424 nan 8.360 nan 0.000 0.466 303 L N 0.583 121.752 121.223 -0.090 0.000 2.362 303 L HA 0.018 4.375 4.340 0.029 0.000 0.219 303 L C 2.174 179.007 176.870 -0.062 0.000 1.134 303 L CA 1.526 56.303 54.840 -0.105 0.000 0.807 303 L CB -0.213 41.741 42.059 -0.175 0.000 0.927 303 L HN 0.269 nan 8.230 nan 0.000 0.447 304 A N -0.895 121.897 122.820 -0.046 0.000 1.878 304 A HA -0.071 4.266 4.320 0.029 0.000 0.213 304 A C 2.129 179.699 177.584 -0.023 0.000 1.192 304 A CA 1.029 53.051 52.037 -0.025 0.000 0.619 304 A CB -0.411 18.578 19.000 -0.018 0.000 0.837 304 A HN 0.502 nan 8.150 nan 0.000 0.446 305 E N 0.387 120.571 120.200 -0.027 0.000 2.110 305 E HA -0.184 4.183 4.350 0.029 0.000 0.193 305 E C 1.630 178.212 176.600 -0.029 0.000 0.988 305 E CA 1.197 57.584 56.400 -0.022 0.000 0.804 305 E CB -0.210 29.478 29.700 -0.020 0.000 0.745 305 E HN 0.503 nan 8.360 nan 0.000 0.458 306 N N 0.842 119.517 118.700 -0.042 0.000 2.142 306 N HA -0.107 4.651 4.740 0.029 0.000 0.186 306 N C 1.607 177.073 175.510 -0.074 0.000 1.023 306 N CA 0.767 53.781 53.050 -0.061 0.000 0.852 306 N CB -0.197 38.251 38.487 -0.065 0.000 0.998 306 N HN 0.105 nan 8.380 nan 0.000 0.424 307 R N 1.003 121.473 120.500 -0.049 0.000 2.127 307 R HA -0.085 4.272 4.340 0.029 0.000 0.238 307 R C 1.689 177.965 176.300 -0.040 0.000 1.134 307 R CA 1.031 57.108 56.100 -0.039 0.000 0.975 307 R CB -0.100 30.194 30.300 -0.010 0.000 0.865 307 R HN 0.520 nan 8.270 nan 0.000 0.447 308 E N 0.378 120.561 120.200 -0.030 0.000 2.021 308 E HA -0.086 4.281 4.350 0.029 0.000 0.189 308 E C 2.109 178.702 176.600 -0.012 0.000 0.980 308 E CA 0.776 57.168 56.400 -0.013 0.000 0.803 308 E CB -0.121 29.577 29.700 -0.004 0.000 0.766 308 E HN 0.213 nan 8.360 nan 0.000 0.449 309 I N 1.443 122.002 120.570 -0.018 0.000 2.185 309 I HA -0.317 3.871 4.170 0.029 0.000 0.246 309 I C 2.264 178.349 176.117 -0.053 0.000 1.088 309 I CA 1.209 62.516 61.300 0.012 0.000 1.347 309 I CB -0.268 37.736 38.000 0.007 0.000 1.041 309 I HN 0.150 nan 8.210 nan 0.000 0.415 310 L N 0.161 121.239 121.223 -0.242 0.000 2.551 310 L HA -0.123 4.234 4.340 0.029 0.000 0.228 310 L C 2.139 178.923 176.870 -0.144 0.000 1.153 310 L CA 0.864 55.420 54.840 -0.472 0.000 0.851 310 L CB -0.372 41.449 42.059 -0.397 0.000 0.959 310 L HN 0.218 nan 8.230 nan 0.000 0.451 311 K N -0.488 119.898 120.400 -0.023 0.000 2.400 311 K HA -0.008 4.329 4.320 0.029 0.000 0.194 311 K C 0.837 177.494 176.600 0.094 0.000 1.033 311 K CA -0.076 56.232 56.287 0.034 0.000 1.021 311 K CB 0.305 32.817 32.500 0.019 0.000 0.808 311 K HN 0.054 nan 8.250 nan 0.000 0.505 312 E N 2.756 123.047 120.200 0.152 0.000 2.344 312 E HA 0.044 4.411 4.350 0.029 0.000 0.270 312 E C -2.462 174.288 176.600 0.250 0.000 1.021 312 E CA -2.038 54.470 56.400 0.180 0.000 0.887 312 E CB 0.846 30.665 29.700 0.198 0.000 0.997 312 E HN -0.016 nan 8.360 nan 0.000 0.429 313 P HA 0.125 nan 4.420 nan 0.000 0.287 313 P C -0.646 176.704 177.300 0.084 0.000 1.307 313 P CA -0.360 62.804 63.100 0.108 0.000 0.777 313 P CB 0.842 32.553 31.700 0.018 0.000 0.883 314 V N 6.156 126.112 119.914 0.069 0.000 2.370 314 V HA 0.243 4.380 4.120 0.029 0.000 0.279 314 V C 0.666 176.829 176.094 0.115 0.000 1.029 314 V CA -0.320 61.988 62.300 0.013 0.000 0.870 314 V CB 0.369 32.012 31.823 -0.300 0.000 0.984 314 V HN 0.706 nan 8.190 nan 0.000 0.451 315 H N 3.058 121.999 119.070 -0.214 0.000 2.710 315 H HA 0.930 5.503 4.556 0.028 0.000 0.361 315 H C -0.091 174.695 175.328 -0.903 0.000 1.175 315 H CA -1.087 54.724 56.048 -0.396 0.000 1.206 315 H CB 2.197 31.788 29.762 -0.284 0.000 1.750 315 H HN 0.686 nan 8.280 nan 0.000 0.553 316 G N -0.406 107.398 108.800 -1.662 0.000 2.788 316 G HA2 0.528 4.505 3.960 0.029 0.000 0.293 316 G HA3 0.528 4.505 3.960 0.029 0.000 0.293 316 G C -1.506 172.488 174.900 -1.511 0.000 1.392 316 G CA -0.555 43.175 45.100 -2.284 0.000 0.810 316 G HN 0.573 nan 8.290 nan 0.000 0.508 317 V N -0.659 118.787 119.914 -0.780 0.000 3.074 317 V HA 0.605 4.743 4.120 0.029 0.000 0.314 317 V C -1.121 175.048 176.094 0.125 0.000 1.117 317 V CA -0.817 61.289 62.300 -0.324 0.000 1.014 317 V CB 1.901 33.651 31.823 -0.123 0.000 1.057 317 V HN 0.622 nan 8.190 nan 0.000 0.438 318 Y N -0.110 120.351 120.300 0.269 0.000 2.458 318 Y HA 0.434 5.002 4.550 0.029 0.000 0.322 318 Y C -0.103 175.980 175.900 0.305 0.000 1.259 318 Y CA -1.432 56.859 58.100 0.318 0.000 1.302 318 Y CB 0.585 39.183 38.460 0.231 0.000 1.314 318 Y HN 0.606 nan 8.280 nan 0.000 0.509 319 Y N 1.852 122.385 120.300 0.389 0.000 2.436 319 Y HA 0.128 4.695 4.550 0.028 0.000 0.336 319 Y C -0.231 175.757 175.900 0.147 0.000 1.049 319 Y CA -0.446 57.802 58.100 0.247 0.000 1.294 319 Y CB 0.377 39.056 38.460 0.366 0.000 1.179 319 Y HN 0.517 nan 8.280 nan 0.000 0.520 320 D N 9.125 129.344 120.400 -0.302 0.000 2.454 320 D HA 0.254 4.911 4.640 0.029 0.000 0.225 320 D C -2.063 173.803 176.300 -0.724 0.000 1.081 320 D CA -2.668 51.105 54.000 -0.378 0.000 0.864 320 D CB 1.805 42.517 40.800 -0.147 0.000 1.040 320 D HN 0.345 nan 8.370 nan 0.000 0.517 321 P HA -0.161 nan 4.420 nan 0.000 0.218 321 P C 1.198 178.334 177.300 -0.273 0.000 1.146 321 P CA 1.041 63.770 63.100 -0.618 0.000 0.813 321 P CB 0.204 31.716 31.700 -0.313 0.000 0.778 322 S N -2.104 113.472 115.700 -0.206 0.000 2.607 322 S HA 0.021 4.508 4.470 0.029 0.000 0.224 322 S C 0.671 175.214 174.600 -0.095 0.000 0.969 322 S CA 0.164 58.296 58.200 -0.113 0.000 0.927 322 S CB -0.657 62.493 63.200 -0.084 0.000 0.772 322 S HN 0.099 nan 8.310 nan 0.000 0.533 323 K N 0.890 121.218 120.400 -0.120 0.000 2.295 323 K HA 0.430 4.767 4.320 0.029 0.000 0.239 323 K C -1.072 175.483 176.600 -0.075 0.000 0.991 323 K CA -1.020 55.217 56.287 -0.083 0.000 0.845 323 K CB 0.631 33.088 32.500 -0.072 0.000 1.197 323 K HN 0.067 nan 8.250 nan 0.000 0.441 324 D N 1.088 121.438 120.400 -0.083 0.000 2.378 324 D HA 0.079 4.737 4.640 0.029 0.000 0.238 324 D C -0.389 175.803 176.300 -0.180 0.000 1.180 324 D CA 0.321 54.250 54.000 -0.118 0.000 0.895 324 D CB 0.713 41.436 40.800 -0.128 0.000 1.192 324 D HN 0.192 nan 8.370 nan 0.000 0.438 325 L N 2.243 123.309 121.223 -0.263 0.000 2.319 325 L HA 0.426 4.783 4.340 0.029 0.000 0.281 325 L C -0.495 176.069 176.870 -0.510 0.000 1.005 325 L CA -0.511 54.067 54.840 -0.437 0.000 0.828 325 L CB 0.972 42.714 42.059 -0.528 0.000 1.227 325 L HN 0.162 nan 8.230 nan 0.000 0.415 326 I N 3.331 123.499 120.570 -0.671 0.000 2.474 326 I HA 0.588 4.775 4.170 0.029 0.000 0.294 326 I C -0.110 175.549 176.117 -0.763 0.000 1.005 326 I CA -0.563 60.279 61.300 -0.764 0.000 1.113 326 I CB 2.138 39.547 38.000 -0.986 0.000 1.289 326 I HN 0.568 nan 8.210 nan 0.000 0.436 327 A N 5.311 127.780 122.820 -0.585 0.000 2.311 327 A HA 0.575 4.913 4.320 0.029 0.000 0.306 327 A C -0.729 176.784 177.584 -0.119 0.000 1.189 327 A CA -0.472 51.338 52.037 -0.379 0.000 0.791 327 A CB 1.065 19.677 19.000 -0.647 0.000 1.172 327 A HN 0.770 nan 8.150 nan 0.000 0.481 328 E N 2.554 122.804 120.200 0.085 0.000 2.183 328 E HA 0.668 5.035 4.350 0.029 0.000 0.271 328 E C -1.229 175.493 176.600 0.204 0.000 0.919 328 E CA -0.468 56.026 56.400 0.156 0.000 0.781 328 E CB 1.124 30.936 29.700 0.187 0.000 1.140 328 E HN 0.651 nan 8.360 nan 0.000 0.402 329 I N 3.148 123.834 120.570 0.193 0.000 2.569 329 I HA 0.290 4.478 4.170 0.029 0.000 0.296 329 I C -0.726 175.527 176.117 0.228 0.000 1.028 329 I CA -0.921 60.519 61.300 0.233 0.000 1.082 329 I CB 1.981 40.090 38.000 0.182 0.000 1.264 329 I HN 0.459 nan 8.210 nan 0.000 0.429 330 Q N 3.932 123.888 119.800 0.260 0.000 2.394 330 Q HA 0.394 4.751 4.340 0.029 0.000 0.273 330 Q C -0.759 175.364 176.000 0.205 0.000 1.089 330 Q CA -0.824 55.093 55.803 0.190 0.000 0.812 330 Q CB 2.540 31.335 28.738 0.095 0.000 1.353 330 Q HN 0.331 nan 8.270 nan 0.000 0.438 331 K N 1.764 122.178 120.400 0.022 0.000 2.291 331 K HA 0.128 4.465 4.320 0.029 0.000 0.242 331 K C -0.571 175.869 176.600 -0.267 0.000 1.098 331 K CA -0.076 55.990 56.287 -0.370 0.000 1.036 331 K CB 0.521 32.669 32.500 -0.586 0.000 1.655 331 K HN 0.592 nan 8.250 nan 0.000 0.432 332 Q N 2.966 122.651 119.800 -0.193 0.000 3.159 332 Q HA 0.129 4.486 4.340 0.029 0.000 0.280 332 Q C -0.371 175.530 176.000 -0.165 0.000 1.403 332 Q CA 0.228 55.955 55.803 -0.126 0.000 0.957 332 Q CB -0.116 28.581 28.738 -0.067 0.000 1.729 332 Q HN 0.904 nan 8.270 nan 0.000 0.551 333 G N 1.448 110.133 108.800 -0.192 0.000 2.619 333 G HA2 -0.233 3.744 3.960 0.029 0.000 0.686 333 G HA3 -0.233 3.744 3.960 0.029 0.000 0.686 333 G C -0.997 173.757 174.900 -0.243 0.000 1.256 333 G CA -0.730 44.270 45.100 -0.166 0.000 0.826 333 G HN 0.545 nan 8.290 nan 0.000 0.619 334 Q N 0.488 120.191 119.800 -0.160 0.000 2.239 334 Q HA 0.392 4.749 4.340 0.029 0.000 0.286 334 Q C 1.609 177.517 176.000 -0.155 0.000 1.102 334 Q CA 1.642 57.353 55.803 -0.153 0.000 0.936 334 Q CB -0.339 28.334 28.738 -0.108 0.000 1.127 334 Q HN 2.587 nan 8.270 nan 0.000 0.380 335 G N 3.300 111.981 108.800 -0.198 0.000 2.184 335 G HA2 -0.303 3.674 3.960 0.029 0.000 0.264 335 G HA3 -0.303 3.674 3.960 0.029 0.000 0.264 335 G C -0.255 174.574 174.900 -0.118 0.000 0.975 335 G CA 0.414 45.480 45.100 -0.057 0.000 0.642 335 G HN 0.635 nan 8.290 nan 0.000 0.536 336 Q N -0.891 118.706 119.800 -0.339 0.000 2.307 336 Q HA 0.600 4.957 4.340 0.029 0.000 0.262 336 Q C -0.946 174.813 176.000 -0.402 0.000 0.961 336 Q CA -0.609 55.076 55.803 -0.198 0.000 0.882 336 Q CB 1.193 29.859 28.738 -0.121 0.000 1.264 336 Q HN 0.411 nan 8.270 nan 0.000 0.446 337 W N 1.165 122.524 121.300 0.099 0.000 2.785 337 W HA 0.453 5.132 4.660 0.031 0.000 0.333 337 W C -0.280 176.285 176.519 0.076 0.000 1.062 337 W CA -0.610 56.799 57.345 0.107 0.000 1.233 337 W CB 2.012 31.575 29.460 0.173 0.000 1.413 337 W HN 0.489 nan 8.180 nan 0.000 0.489 338 T N -0.131 114.589 114.554 0.278 0.000 2.908 338 T HA 0.829 5.196 4.350 0.029 0.000 0.290 338 T C -1.173 173.652 174.700 0.208 0.000 1.034 338 T CA -0.718 61.451 62.100 0.116 0.000 1.010 338 T CB 1.892 70.771 68.868 0.019 0.000 1.068 338 T HN 0.517 nan 8.240 nan 0.000 0.481 339 Y N -0.626 119.672 120.300 -0.002 0.000 2.638 339 Y HA 0.731 5.297 4.550 0.026 0.000 0.335 339 Y C -1.639 174.271 175.900 0.016 0.000 1.155 339 Y CA -1.302 56.814 58.100 0.027 0.000 1.046 339 Y CB 1.587 40.068 38.460 0.035 0.000 1.303 339 Y HN 0.829 nan 8.280 nan 0.000 0.460 340 Q N 3.030 122.939 119.800 0.181 0.000 2.309 340 Q HA 0.558 4.915 4.340 0.029 0.000 0.273 340 Q C -1.832 174.334 176.000 0.277 0.000 1.040 340 Q CA -0.710 55.171 55.803 0.129 0.000 0.834 340 Q CB 2.849 31.619 28.738 0.053 0.000 1.345 340 Q HN 0.921 nan 8.270 nan 0.000 0.414 341 I N 3.425 124.150 120.570 0.258 0.000 2.378 341 I HA 0.575 4.763 4.170 0.029 0.000 0.291 341 I C -0.867 175.311 176.117 0.101 0.000 0.992 341 I CA -1.065 60.289 61.300 0.089 0.000 1.154 341 I CB 0.939 38.998 38.000 0.098 0.000 1.315 341 I HN 0.721 nan 8.210 nan 0.000 0.448 342 Y N 2.998 123.226 120.300 -0.119 0.000 2.655 342 Y HA 0.509 5.076 4.550 0.028 0.000 0.336 342 Y C -0.115 175.698 175.900 -0.144 0.000 1.154 342 Y CA -0.896 57.141 58.100 -0.105 0.000 1.055 342 Y CB 1.210 39.606 38.460 -0.105 0.000 1.295 342 Y HN 0.437 nan 8.280 nan 0.000 0.465 343 Q N -0.038 119.775 119.800 0.020 0.000 2.471 343 Q HA 0.273 4.631 4.340 0.029 0.000 0.241 343 Q C -0.762 175.295 176.000 0.095 0.000 0.886 343 Q CA 0.220 55.990 55.803 -0.054 0.000 0.953 343 Q CB 1.255 29.975 28.738 -0.030 0.000 1.108 343 Q HN 0.696 nan 8.270 nan 0.000 0.575 344 E N 1.835 122.145 120.200 0.183 0.000 2.176 344 E HA 0.310 4.678 4.350 0.029 0.000 0.267 344 E C -2.644 174.026 176.600 0.117 0.000 0.893 344 E CA -2.369 54.116 56.400 0.142 0.000 0.761 344 E CB 1.791 31.530 29.700 0.066 0.000 1.133 344 E HN -0.109 nan 8.360 nan 0.000 0.409 345 P HA -0.144 nan 4.420 nan 0.000 0.259 345 P C -0.611 176.582 177.300 -0.177 0.000 1.155 345 P CA 0.894 63.792 63.100 -0.336 0.000 0.759 345 P CB -0.023 31.603 31.700 -0.124 0.000 0.753 346 F N 0.729 120.452 119.950 -0.378 0.000 2.748 346 F HA -0.253 4.289 4.527 0.025 0.000 0.370 346 F C 0.626 176.298 175.800 -0.215 0.000 0.620 346 F CA 1.016 58.861 58.000 -0.259 0.000 1.233 346 F CB -1.799 37.093 39.000 -0.180 0.000 1.708 346 F HN 0.350 nan 8.300 nan 0.000 0.298 347 K N 1.434 121.796 120.400 -0.063 0.000 2.499 347 K HA 0.283 4.620 4.320 0.029 0.000 0.215 347 K C -0.188 176.398 176.600 -0.024 0.000 1.041 347 K CA -0.572 55.664 56.287 -0.085 0.000 1.031 347 K CB 0.528 33.001 32.500 -0.044 0.000 1.479 347 K HN -0.009 nan 8.250 nan 0.000 0.518 348 N N 2.217 120.891 118.700 -0.043 0.000 2.525 348 N HA 0.116 4.874 4.740 0.029 0.000 0.271 348 N C 1.037 176.715 175.510 0.280 0.000 1.194 348 N CA -0.003 53.121 53.050 0.123 0.000 0.964 348 N CB 1.197 39.755 38.487 0.119 0.000 1.126 348 N HN 0.326 nan 8.380 nan 0.000 0.452 349 L N 0.440 121.884 121.223 0.367 0.000 2.200 349 L HA 0.199 4.556 4.340 0.029 0.000 0.200 349 L C 0.965 178.156 176.870 0.536 0.000 1.072 349 L CA 0.788 55.938 54.840 0.517 0.000 0.787 349 L CB 0.072 42.394 42.059 0.438 0.000 0.957 349 L HN 0.468 nan 8.230 nan 0.000 0.459 350 K N -0.368 120.280 120.400 0.413 0.000 2.551 350 K HA 0.405 4.742 4.320 0.029 0.000 0.269 350 K C -1.317 175.384 176.600 0.168 0.000 0.949 350 K CA -0.408 56.057 56.287 0.297 0.000 0.849 350 K CB 2.303 34.995 32.500 0.320 0.000 1.411 350 K HN 0.019 nan 8.250 nan 0.000 0.432 351 T N -1.215 113.333 114.554 -0.010 0.000 2.865 351 T HA 0.923 5.290 4.350 0.029 0.000 0.294 351 T C -0.133 174.229 174.700 -0.563 0.000 1.119 351 T CA -0.453 61.467 62.100 -0.300 0.000 1.007 351 T CB 1.989 70.749 68.868 -0.181 0.000 1.225 351 T HN 0.834 nan 8.240 nan 0.000 0.515 352 G N 0.147 108.389 108.800 -0.931 0.000 2.316 352 G HA2 0.552 4.529 3.960 0.029 0.000 0.296 352 G HA3 0.552 4.529 3.960 0.029 0.000 0.296 352 G C -2.120 172.325 174.900 -0.758 0.000 1.399 352 G CA -0.626 44.007 45.100 -0.777 0.000 0.833 352 G HN 1.049 nan 8.290 nan 0.000 0.565 353 K N -1.205 118.934 120.400 -0.435 0.000 2.536 353 K HA 0.748 5.085 4.320 0.029 0.000 0.269 353 K C -1.943 174.517 176.600 -0.234 0.000 0.965 353 K CA -1.101 55.020 56.287 -0.277 0.000 0.860 353 K CB 1.990 34.419 32.500 -0.119 0.000 1.423 353 K HN 0.428 nan 8.250 nan 0.000 0.438 354 Y N 0.787 121.207 120.300 0.200 0.000 2.360 354 Y HA 0.486 5.053 4.550 0.028 0.000 0.337 354 Y C 0.409 176.390 175.900 0.135 0.000 1.039 354 Y CA -0.787 57.414 58.100 0.168 0.000 1.109 354 Y CB 1.941 40.513 38.460 0.187 0.000 1.201 354 Y HN 0.861 nan 8.280 nan 0.000 0.458 355 A N 3.362 126.342 122.820 0.267 0.000 2.587 355 A HA 0.020 4.358 4.320 0.029 0.000 0.233 355 A C 0.676 178.361 177.584 0.169 0.000 1.049 355 A CA -0.320 51.816 52.037 0.166 0.000 0.754 355 A CB -0.167 18.912 19.000 0.131 0.000 0.977 355 A HN 0.892 nan 8.150 nan 0.000 0.509 356 R N 2.541 123.109 120.500 0.113 0.000 2.501 356 R HA 0.071 4.428 4.340 0.029 0.000 0.319 356 R C -0.169 176.197 176.300 0.110 0.000 0.913 356 R CA 0.621 56.777 56.100 0.093 0.000 1.104 356 R CB -0.315 30.011 30.300 0.043 0.000 0.901 356 R HN 0.659 nan 8.270 nan 0.000 0.407 357 M N 5.655 125.344 119.600 0.149 0.000 2.251 357 M HA 0.198 4.695 4.480 0.029 0.000 0.346 357 M C -0.016 176.345 176.300 0.102 0.000 1.499 357 M CA 0.537 55.919 55.300 0.136 0.000 1.128 357 M CB 0.813 33.524 32.600 0.185 0.000 1.809 357 M HN 0.363 nan 8.290 nan 0.000 0.464 358 R N 2.378 122.928 120.500 0.083 0.000 2.561 358 R HA 0.787 5.144 4.340 0.029 0.000 0.297 358 R C -0.226 176.123 176.300 0.081 0.000 0.969 358 R CA -0.467 55.677 56.100 0.073 0.000 0.879 358 R CB 2.124 32.458 30.300 0.056 0.000 1.178 358 R HN 0.920 nan 8.270 nan 0.000 0.445 359 G N -0.199 108.659 108.800 0.097 0.000 2.870 359 G HA2 0.488 4.465 3.960 0.029 0.000 0.299 359 G HA3 0.488 4.465 3.960 0.029 0.000 0.299 359 G C 0.104 175.093 174.900 0.148 0.000 1.324 359 G CA 0.062 45.233 45.100 0.118 0.000 0.808 359 G HN 0.428 nan 8.290 nan 0.000 0.535 360 A N -1.053 121.891 122.820 0.207 0.000 1.872 360 A HA 0.361 4.699 4.320 0.029 0.000 0.214 360 A C 0.864 178.652 177.584 0.341 0.000 1.187 360 A CA 2.017 54.199 52.037 0.241 0.000 0.614 360 A CB -0.827 18.347 19.000 0.291 0.000 0.826 360 A HN 1.313 nan 8.150 nan 0.000 0.442 361 H N -4.928 114.215 119.070 0.123 0.000 3.153 361 H HA 0.608 5.181 4.556 0.028 0.000 0.323 361 H C -0.712 174.722 175.328 0.175 0.000 1.096 361 H CA -0.286 55.851 56.048 0.148 0.000 1.385 361 H CB 0.700 30.555 29.762 0.155 0.000 2.027 361 H HN 0.171 nan 8.280 nan 0.000 0.499 362 T N 1.404 116.090 114.554 0.221 0.000 2.649 362 T HA 0.389 4.756 4.350 0.029 0.000 0.305 362 T C -1.723 173.083 174.700 0.177 0.000 1.409 362 T CA -0.462 61.746 62.100 0.179 0.000 1.021 362 T CB 1.580 70.532 68.868 0.140 0.000 1.726 362 T HN 1.031 nan 8.240 nan 0.000 0.475 363 N N -0.395 118.379 118.700 0.123 0.000 2.610 363 N HA 0.457 5.215 4.740 0.029 0.000 0.264 363 N C -0.283 175.231 175.510 0.006 0.000 1.348 363 N CA -0.611 52.485 53.050 0.077 0.000 0.819 363 N CB 0.891 39.412 38.487 0.056 0.000 1.521 363 N HN 0.335 nan 8.380 nan 0.000 0.497 364 D N -0.031 120.412 120.400 0.072 0.000 2.149 364 D HA -0.095 4.562 4.640 0.029 0.000 0.198 364 D C 1.605 177.884 176.300 -0.035 0.000 0.990 364 D CA 1.132 55.218 54.000 0.143 0.000 0.839 364 D CB -0.101 40.858 40.800 0.266 0.000 0.948 364 D HN 0.390 nan 8.370 nan 0.000 0.460 365 V N 0.657 120.326 119.914 -0.409 0.000 2.453 365 V HA -0.193 3.944 4.120 0.029 0.000 0.247 365 V C 2.290 177.879 176.094 -0.842 0.000 1.048 365 V CA 1.244 63.111 62.300 -0.723 0.000 1.049 365 V CB -0.388 30.657 31.823 -1.297 0.000 0.672 365 V HN 0.070 nan 8.190 nan 0.000 0.457 366 K N 0.892 120.782 120.400 -0.850 0.000 2.002 366 K HA -0.174 4.164 4.320 0.029 0.000 0.209 366 K C 2.185 178.616 176.600 -0.281 0.000 1.048 366 K CA 1.715 57.718 56.287 -0.472 0.000 0.930 366 K CB -0.588 31.802 32.500 -0.183 0.000 0.714 366 K HN 0.481 nan 8.250 nan 0.000 0.438 367 Q N 0.253 119.958 119.800 -0.158 0.000 2.112 367 Q HA -0.203 4.155 4.340 0.029 0.000 0.206 367 Q C 2.145 177.861 176.000 -0.473 0.000 0.987 367 Q CA 1.758 57.507 55.803 -0.090 0.000 0.858 367 Q CB -0.335 28.579 28.738 0.293 0.000 0.905 367 Q HN 0.389 nan 8.270 nan 0.000 0.420 368 L N 0.822 121.673 121.223 -0.620 0.000 1.970 368 L HA -0.221 4.137 4.340 0.029 0.000 0.212 368 L C 2.646 179.004 176.870 -0.854 0.000 1.071 368 L CA 2.168 56.328 54.840 -1.133 0.000 0.751 368 L CB -0.849 40.741 42.059 -0.781 0.000 0.889 368 L HN 0.441 nan 8.230 nan 0.000 0.432 369 T N -3.572 110.613 114.554 -0.616 0.000 2.822 369 T HA -0.252 4.116 4.350 0.029 0.000 0.270 369 T C 1.509 175.930 174.700 -0.465 0.000 1.064 369 T CA 1.652 63.434 62.100 -0.530 0.000 1.131 369 T CB -0.403 68.312 68.868 -0.255 0.000 0.858 369 T HN 0.483 nan 8.240 nan 0.000 0.483 370 E N 1.289 121.234 120.200 -0.425 0.000 2.046 370 E HA 0.113 4.480 4.350 0.029 0.000 0.190 370 E C 2.715 179.036 176.600 -0.466 0.000 0.982 370 E CA 0.863 57.047 56.400 -0.360 0.000 0.800 370 E CB -0.366 29.175 29.700 -0.266 0.000 0.756 370 E HN 0.663 nan 8.360 nan 0.000 0.449 371 A N 0.931 123.390 122.820 -0.601 0.000 1.940 371 A HA -0.156 4.181 4.320 0.029 0.000 0.219 371 A C 2.451 179.774 177.584 -0.436 0.000 1.176 371 A CA 1.152 52.869 52.037 -0.534 0.000 0.631 371 A CB -0.630 17.979 19.000 -0.652 0.000 0.814 371 A HN 0.122 nan 8.150 nan 0.000 0.446 372 V N 0.724 120.288 119.914 -0.584 0.000 2.427 372 V HA -0.300 3.837 4.120 0.029 0.000 0.248 372 V C 2.809 178.616 176.094 -0.478 0.000 1.051 372 V CA 2.358 64.242 62.300 -0.693 0.000 1.048 372 V CB -0.817 30.374 31.823 -1.053 0.000 0.666 372 V HN 0.921 nan 8.190 nan 0.000 0.456 373 Q N 0.646 120.210 119.800 -0.393 0.000 2.187 373 Q HA -0.136 4.221 4.340 0.029 0.000 0.199 373 Q C 1.918 177.799 176.000 -0.197 0.000 0.957 373 Q CA 1.621 57.274 55.803 -0.249 0.000 0.857 373 Q CB -0.464 28.156 28.738 -0.197 0.000 0.929 373 Q HN 0.494 nan 8.270 nan 0.000 0.453 374 K N 0.458 120.691 120.400 -0.278 0.000 2.057 374 K HA 0.012 4.349 4.320 0.029 0.000 0.206 374 K C 2.043 178.561 176.600 -0.138 0.000 1.050 374 K CA 1.516 57.636 56.287 -0.277 0.000 0.935 374 K CB -0.151 31.973 32.500 -0.627 0.000 0.715 374 K HN 0.249 nan 8.250 nan 0.000 0.439 375 I N 0.866 121.366 120.570 -0.117 0.000 2.179 375 I HA -0.267 3.921 4.170 0.029 0.000 0.242 375 I C 2.151 178.272 176.117 0.007 0.000 1.088 375 I CA 1.286 62.532 61.300 -0.089 0.000 1.357 375 I CB -0.569 37.374 38.000 -0.094 0.000 1.051 375 I HN 0.179 nan 8.210 nan 0.000 0.409 376 T N 0.134 114.724 114.554 0.059 0.000 2.684 376 T HA -0.195 4.172 4.350 0.029 0.000 0.267 376 T C 1.907 176.618 174.700 0.019 0.000 1.036 376 T CA 2.158 64.305 62.100 0.079 0.000 1.148 376 T CB -0.434 68.469 68.868 0.059 0.000 0.863 376 T HN 0.363 nan 8.240 nan 0.000 0.436 377 T N 1.929 116.469 114.554 -0.023 0.000 2.720 377 T HA -0.107 4.260 4.350 0.029 0.000 0.268 377 T C 1.954 176.624 174.700 -0.050 0.000 1.037 377 T CA 1.242 63.322 62.100 -0.033 0.000 1.144 377 T CB -0.266 68.571 68.868 -0.051 0.000 0.864 377 T HN 0.540 nan 8.240 nan 0.000 0.444 378 E N 0.828 120.991 120.200 -0.062 0.000 2.051 378 E HA -0.089 4.278 4.350 0.029 0.000 0.192 378 E C 2.641 179.139 176.600 -0.170 0.000 0.991 378 E CA 1.315 57.646 56.400 -0.114 0.000 0.799 378 E CB -0.133 29.511 29.700 -0.094 0.000 0.748 378 E HN 0.356 nan 8.360 nan 0.000 0.449 379 S N 0.997 116.669 115.700 -0.047 0.000 2.370 379 S HA -0.141 4.346 4.470 0.029 0.000 0.226 379 S C 1.979 176.600 174.600 0.034 0.000 1.033 379 S CA 0.780 59.036 58.200 0.092 0.000 1.011 379 S CB -0.140 63.232 63.200 0.286 0.000 0.852 379 S HN 0.204 nan 8.310 nan 0.000 0.457 380 I N 1.483 122.060 120.570 0.012 0.000 2.335 380 I HA -0.101 4.087 4.170 0.029 0.000 0.251 380 I C 2.204 178.292 176.117 -0.050 0.000 1.129 380 I CA 1.018 62.323 61.300 0.009 0.000 1.402 380 I CB -1.524 36.484 38.000 0.013 0.000 1.069 380 I HN 0.179 nan 8.210 nan 0.000 0.424 381 V N 0.988 120.834 119.914 -0.113 0.000 2.283 381 V HA -0.196 3.941 4.120 0.029 0.000 0.243 381 V C 2.522 178.464 176.094 -0.253 0.000 1.039 381 V CA 1.243 63.453 62.300 -0.149 0.000 1.016 381 V CB -0.325 31.404 31.823 -0.156 0.000 0.650 381 V HN 0.174 nan 8.190 nan 0.000 0.449 382 I N -1.100 119.186 120.570 -0.472 0.000 2.163 382 I HA -0.167 4.020 4.170 0.029 0.000 0.240 382 I C 2.050 177.700 176.117 -0.778 0.000 1.081 382 I CA 1.888 62.683 61.300 -0.842 0.000 1.353 382 I CB -0.917 36.035 38.000 -1.746 0.000 1.054 382 I HN 0.459 nan 8.210 nan 0.000 0.407 383 W N 0.218 121.389 121.300 -0.215 0.000 2.870 383 W HA 0.405 5.082 4.660 0.028 0.000 0.358 383 W C 1.365 177.814 176.519 -0.118 0.000 1.043 383 W CA 0.425 57.599 57.345 -0.285 0.000 1.692 383 W CB -0.532 28.578 29.460 -0.583 0.000 1.100 383 W HN 0.371 nan 8.180 nan 0.000 0.557 384 G N 2.452 111.300 108.800 0.079 0.000 2.258 384 G HA2 -0.326 3.651 3.960 0.029 0.000 0.274 384 G HA3 -0.326 3.651 3.960 0.029 0.000 0.274 384 G C 0.129 175.088 174.900 0.099 0.000 1.021 384 G CA 0.900 46.045 45.100 0.074 0.000 0.798 384 G HN 0.293 nan 8.290 nan 0.000 0.507 385 K N -1.034 119.439 120.400 0.121 0.000 2.556 385 K HA 0.636 4.973 4.320 0.029 0.000 0.274 385 K C -0.339 176.304 176.600 0.071 0.000 0.966 385 K CA -0.391 55.947 56.287 0.085 0.000 0.865 385 K CB 1.683 34.225 32.500 0.069 0.000 1.444 385 K HN 0.329 nan 8.250 nan 0.000 0.433 386 T N -0.547 114.023 114.554 0.026 0.000 2.794 386 T HA 0.505 4.873 4.350 0.029 0.000 0.280 386 T C -2.535 172.076 174.700 -0.148 0.000 0.987 386 T CA -1.988 60.108 62.100 -0.007 0.000 0.993 386 T CB 1.078 69.982 68.868 0.060 0.000 0.939 386 T HN 0.128 nan 8.240 nan 0.000 0.449 387 P HA 0.232 nan 4.420 nan 0.000 0.270 387 P C -0.567 176.371 177.300 -0.603 0.000 1.223 387 P CA -0.509 62.260 63.100 -0.552 0.000 0.785 387 P CB 0.395 31.646 31.700 -0.748 0.000 0.923 388 K N 1.806 121.929 120.400 -0.460 0.000 2.297 388 K HA 0.317 4.655 4.320 0.029 0.000 0.286 388 K C -0.443 175.940 176.600 -0.362 0.000 1.053 388 K CA -0.143 55.976 56.287 -0.280 0.000 0.940 388 K CB 0.215 32.602 32.500 -0.188 0.000 1.019 388 K HN 0.317 nan 8.250 nan 0.000 0.475 389 F N 1.999 121.900 119.950 -0.082 0.000 2.394 389 F HA 0.253 4.795 4.527 0.026 0.000 0.340 389 F C 0.619 176.442 175.800 0.038 0.000 1.105 389 F CA -0.502 57.462 58.000 -0.061 0.000 1.124 389 F CB 1.119 40.044 39.000 -0.126 0.000 1.145 389 F HN 0.176 nan 8.300 nan 0.000 0.505 390 K N 5.100 125.619 120.400 0.198 0.000 2.464 390 K HA 0.504 4.842 4.320 0.029 0.000 0.252 390 K C -1.242 175.466 176.600 0.180 0.000 1.000 390 K CA -0.304 56.085 56.287 0.170 0.000 0.951 390 K CB 1.127 33.675 32.500 0.079 0.000 1.183 390 K HN 0.503 nan 8.250 nan 0.000 0.445 391 L N 3.997 125.360 121.223 0.234 0.000 2.334 391 L HA 0.451 4.809 4.340 0.029 0.000 0.276 391 L C -1.845 175.156 176.870 0.218 0.000 1.014 391 L CA -2.248 52.657 54.840 0.108 0.000 0.815 391 L CB 1.663 43.586 42.059 -0.227 0.000 1.268 391 L HN 0.366 nan 8.230 nan 0.000 0.428 392 P HA 0.152 nan 4.420 nan 0.000 0.228 392 P C -0.558 176.912 177.300 0.283 0.000 1.748 392 P CA 0.498 63.744 63.100 0.244 0.000 0.909 392 P CB 0.175 31.980 31.700 0.174 0.000 1.882 393 I N -0.915 119.866 120.570 0.352 0.000 2.692 393 I HA 0.250 4.437 4.170 0.029 0.000 0.293 393 I C -0.749 175.455 176.117 0.145 0.000 1.200 393 I CA -1.033 60.365 61.300 0.163 0.000 1.036 393 I CB 2.868 40.852 38.000 -0.027 0.000 1.258 393 I HN -0.163 nan 8.210 nan 0.000 0.421 394 Q N 5.523 125.199 119.800 -0.208 0.000 2.340 394 Q HA 0.200 4.558 4.340 0.029 0.000 0.249 394 Q C 0.529 176.576 176.000 0.079 0.000 0.957 394 Q CA -0.550 54.954 55.803 -0.499 0.000 0.882 394 Q CB 1.382 29.807 28.738 -0.522 0.000 1.235 394 Q HN 0.513 nan 8.270 nan 0.000 0.439 395 K N 1.909 122.374 120.400 0.109 0.000 2.160 395 K HA -0.204 4.133 4.320 0.029 0.000 0.206 395 K C 1.411 178.201 176.600 0.317 0.000 1.047 395 K CA 1.470 57.943 56.287 0.310 0.000 0.930 395 K CB 0.232 32.752 32.500 0.033 0.000 0.720 395 K HN 0.510 nan 8.250 nan 0.000 0.450 396 E N -0.143 120.139 120.200 0.137 0.000 2.072 396 E HA -0.076 4.292 4.350 0.029 0.000 0.191 396 E C 1.996 178.683 176.600 0.145 0.000 0.985 396 E CA 1.334 57.801 56.400 0.111 0.000 0.801 396 E CB -0.470 29.247 29.700 0.028 0.000 0.750 396 E HN 0.211 nan 8.360 nan 0.000 0.452 397 T N 0.596 115.229 114.554 0.131 0.000 2.720 397 T HA -0.193 4.175 4.350 0.029 0.000 0.268 397 T C 1.397 176.265 174.700 0.280 0.000 1.037 397 T CA 1.286 63.468 62.100 0.137 0.000 1.144 397 T CB -0.407 68.500 68.868 0.065 0.000 0.864 397 T HN 0.423 nan 8.240 nan 0.000 0.444 398 W N 1.846 123.270 121.300 0.206 0.000 2.378 398 W HA -0.150 4.525 4.660 0.026 0.000 0.313 398 W C 2.233 179.054 176.519 0.503 0.000 1.197 398 W CA 1.449 58.995 57.345 0.334 0.000 1.304 398 W CB -0.200 29.501 29.460 0.402 0.000 1.148 398 W HN 0.236 nan 8.180 nan 0.000 0.494 399 E N 0.258 120.652 120.200 0.323 0.000 2.058 399 E HA -0.203 4.164 4.350 0.029 0.000 0.194 399 E C 2.140 178.663 176.600 -0.128 0.000 0.997 399 E CA 2.942 59.417 56.400 0.124 0.000 0.801 399 E CB -0.628 29.173 29.700 0.169 0.000 0.746 399 E HN 0.036 nan 8.360 nan 0.000 0.450 400 T N -0.311 114.233 114.554 -0.017 0.000 2.674 400 T HA -0.174 4.193 4.350 0.029 0.000 0.265 400 T C 1.172 175.826 174.700 -0.077 0.000 1.039 400 T CA 1.465 63.532 62.100 -0.055 0.000 1.150 400 T CB -0.626 68.253 68.868 0.019 0.000 0.864 400 T HN 0.412 nan 8.240 nan 0.000 0.427 401 W N 0.897 122.100 121.300 -0.161 0.000 2.338 401 W HA -0.150 4.531 4.660 0.034 0.000 0.325 401 W C 2.268 178.635 176.519 -0.254 0.000 1.206 401 W CA 1.420 58.661 57.345 -0.174 0.000 1.257 401 W CB -1.024 28.348 29.460 -0.146 0.000 1.184 401 W HN 0.409 nan 8.180 nan 0.000 0.456 402 W N 2.259 123.198 121.300 -0.602 0.000 2.302 402 W HA -0.345 4.331 4.660 0.026 0.000 0.320 402 W C 2.471 178.615 176.519 -0.625 0.000 1.241 402 W CA 3.874 60.656 57.345 -0.939 0.000 1.264 402 W CB -1.378 27.283 29.460 -1.333 0.000 1.154 402 W HN 0.077 nan 8.180 nan 0.000 0.483 403 T N -1.712 111.914 114.554 -1.547 0.000 2.918 403 T HA -0.229 4.138 4.350 0.029 0.000 0.271 403 T C 1.383 175.653 174.700 -0.716 0.000 1.104 403 T CA 1.914 63.156 62.100 -1.430 0.000 1.114 403 T CB -0.306 67.875 68.868 -1.145 0.000 0.855 403 T HN 0.303 nan 8.240 nan 0.000 0.518 404 E N -1.044 118.816 120.200 -0.566 0.000 2.485 404 E HA 0.314 4.682 4.350 0.029 0.000 0.213 404 E C -0.159 176.259 176.600 -0.304 0.000 0.923 404 E CA -0.582 55.604 56.400 -0.357 0.000 1.054 404 E CB 0.070 29.614 29.700 -0.261 0.000 1.077 404 E HN 0.592 nan 8.360 nan 0.000 0.509 405 Y N 1.205 121.109 120.300 -0.659 0.000 2.652 405 Y HA -0.154 4.415 4.550 0.031 0.000 0.344 405 Y C 1.406 177.073 175.900 -0.389 0.000 1.254 405 Y CA 0.309 58.011 58.100 -0.663 0.000 1.480 405 Y CB 0.402 38.138 38.460 -1.208 0.000 1.345 405 Y HN 0.213 nan 8.280 nan 0.000 0.617 406 W N 3.476 124.361 121.300 -0.692 0.000 2.467 406 W HA -0.028 4.649 4.660 0.029 0.000 0.275 406 W C -0.239 176.090 176.519 -0.316 0.000 1.239 406 W CA 0.543 57.610 57.345 -0.464 0.000 1.266 406 W CB -0.304 28.865 29.460 -0.486 0.000 1.112 406 W HN 0.543 nan 8.180 nan 0.000 0.576 407 Q N 1.470 120.443 119.800 -1.379 0.000 2.245 407 Q HA 0.518 4.875 4.340 0.029 0.000 0.256 407 Q C -0.311 175.465 176.000 -0.373 0.000 0.942 407 Q CA -0.473 54.661 55.803 -1.115 0.000 0.896 407 Q CB 1.896 29.556 28.738 -1.796 0.000 1.272 407 Q HN 0.046 nan 8.270 nan 0.000 0.442 408 A N 2.743 125.443 122.820 -0.200 0.000 2.488 408 A HA 0.390 4.727 4.320 0.029 0.000 0.249 408 A C -0.103 177.492 177.584 0.018 0.000 1.083 408 A CA 0.421 52.435 52.037 -0.038 0.000 0.768 408 A CB 0.565 19.556 19.000 -0.016 0.000 1.017 408 A HN 0.691 nan 8.150 nan 0.000 0.496 409 T N 1.291 115.921 114.554 0.126 0.000 2.843 409 T HA 0.613 4.980 4.350 0.029 0.000 0.302 409 T C -1.892 172.995 174.700 0.312 0.000 1.232 409 T CA -0.309 61.915 62.100 0.207 0.000 1.009 409 T CB 0.909 69.950 68.868 0.289 0.000 1.254 409 T HN 1.195 nan 8.240 nan 0.000 0.504 410 W N 2.615 123.946 121.300 0.051 0.000 3.059 410 W HA 0.718 5.397 4.660 0.032 0.000 0.329 410 W C -2.582 173.812 176.519 -0.208 0.000 1.246 410 W CA -0.985 56.337 57.345 -0.038 0.000 1.190 410 W CB 0.920 30.324 29.460 -0.093 0.000 1.423 410 W HN 0.682 nan 8.180 nan 0.000 0.571 411 I N 4.943 124.790 120.570 -1.205 0.000 2.512 411 I HA 0.253 4.440 4.170 0.029 0.000 0.287 411 I C -2.084 172.996 176.117 -1.729 0.000 1.069 411 I CA -1.969 58.473 61.300 -1.430 0.000 1.056 411 I CB 2.104 39.133 38.000 -1.618 0.000 1.229 411 I HN 0.048 nan 8.210 nan 0.000 0.429 412 P HA -0.065 nan 4.420 nan 0.000 0.272 412 P C -0.291 176.808 177.300 -0.335 0.000 1.243 412 P CA -0.256 62.208 63.100 -1.060 0.000 0.803 412 P CB 0.419 31.858 31.700 -0.435 0.000 0.974 413 E N 1.548 121.706 120.200 -0.069 0.000 2.900 413 E HA -0.088 4.279 4.350 0.029 0.000 0.259 413 E C -0.814 175.871 176.600 0.142 0.000 0.918 413 E CA 0.365 56.783 56.400 0.029 0.000 0.960 413 E CB 0.048 29.764 29.700 0.027 0.000 0.908 413 E HN 0.360 nan 8.360 nan 0.000 0.511 414 W N 3.364 124.589 121.300 -0.125 0.000 3.018 414 W HA 0.637 5.310 4.660 0.022 0.000 0.352 414 W C -1.425 175.061 176.519 -0.055 0.000 1.230 414 W CA -0.988 56.306 57.345 -0.085 0.000 1.162 414 W CB 0.737 30.082 29.460 -0.191 0.000 1.483 414 W HN 0.534 nan 8.180 nan 0.000 0.584 415 E N 1.025 121.298 120.200 0.122 0.000 2.356 415 E HA 0.383 4.751 4.350 0.029 0.000 0.275 415 E C -1.809 174.961 176.600 0.282 0.000 0.904 415 E CA -0.818 55.546 56.400 -0.059 0.000 0.757 415 E CB 2.916 32.597 29.700 -0.031 0.000 1.232 415 E HN 0.278 nan 8.360 nan 0.000 0.442 416 F N 3.913 123.886 119.950 0.040 0.000 2.429 416 F HA 0.437 4.971 4.527 0.011 0.000 0.348 416 F C -1.043 174.834 175.800 0.128 0.000 1.109 416 F CA -0.273 57.859 58.000 0.221 0.000 1.232 416 F CB 1.111 40.199 39.000 0.146 0.000 1.157 416 F HN 0.122 nan 8.300 nan 0.000 0.564 417 V N 7.033 126.599 119.914 -0.580 0.000 2.569 417 V HA 0.290 4.427 4.120 0.029 0.000 0.301 417 V C -0.654 174.940 176.094 -0.833 0.000 1.044 417 V CA -0.848 61.075 62.300 -0.628 0.000 0.874 417 V CB 1.508 33.218 31.823 -0.189 0.000 1.002 417 V HN 0.847 nan 8.190 nan 0.000 0.424 418 N N 4.232 122.435 118.700 -0.827 0.000 3.103 418 N HA 0.138 4.896 4.740 0.029 0.000 0.305 418 N C -0.287 175.150 175.510 -0.121 0.000 1.232 418 N CA 0.134 52.954 53.050 -0.383 0.000 1.190 418 N CB 0.130 38.506 38.487 -0.185 0.000 1.461 418 N HN 0.721 nan 8.380 nan 0.000 0.538 419 T N 2.657 117.169 114.554 -0.070 0.000 3.042 419 T HA 0.322 4.689 4.350 0.029 0.000 0.356 419 T C -2.381 172.338 174.700 0.032 0.000 1.233 419 T CA -1.181 60.910 62.100 -0.014 0.000 1.038 419 T CB 1.456 70.315 68.868 -0.014 0.000 1.089 419 T HN 0.228 nan 8.240 nan 0.000 0.531 420 P HA 0.172 nan 4.420 nan 0.000 0.269 420 P C -2.265 175.054 177.300 0.032 0.000 1.217 420 P CA -1.086 62.041 63.100 0.046 0.000 0.783 420 P CB -0.142 31.582 31.700 0.040 0.000 0.898 421 P HA 0.149 nan 4.420 nan 0.000 0.276 421 P C -0.716 176.609 177.300 0.043 0.000 1.235 421 P CA 0.196 63.314 63.100 0.029 0.000 0.772 421 P CB 0.630 32.341 31.700 0.018 0.000 0.871 422 L N 2.997 124.249 121.223 0.048 0.000 2.395 422 L HA 0.301 4.658 4.340 0.029 0.000 0.269 422 L C 1.006 177.879 176.870 0.005 0.000 1.133 422 L CA -1.066 53.818 54.840 0.073 0.000 0.812 422 L CB 1.402 43.526 42.059 0.108 0.000 1.125 422 L HN 0.246 nan 8.230 nan 0.000 0.452 423 V N 2.972 122.908 119.914 0.037 0.000 2.498 423 V HA 0.430 4.567 4.120 0.029 0.000 0.279 423 V C -0.156 175.872 176.094 -0.109 0.000 1.048 423 V CA -0.197 62.101 62.300 -0.004 0.000 0.967 423 V CB 1.014 32.919 31.823 0.136 0.000 0.988 423 V HN 0.940 nan 8.190 nan 0.000 0.473 424 K N 5.264 125.497 120.400 -0.278 0.000 2.283 424 K HA 0.676 5.013 4.320 0.029 0.000 0.257 424 K C -1.394 174.956 176.600 -0.417 0.000 1.066 424 K CA -1.169 54.920 56.287 -0.331 0.000 0.891 424 K CB 1.835 34.099 32.500 -0.395 0.000 1.438 424 K HN 0.567 nan 8.250 nan 0.000 0.464 425 L N 2.365 123.410 121.223 -0.296 0.000 2.259 425 L HA 0.265 4.622 4.340 0.029 0.000 0.288 425 L C 0.073 176.826 176.870 -0.195 0.000 1.051 425 L CA -0.752 53.973 54.840 -0.192 0.000 0.824 425 L CB 0.177 42.201 42.059 -0.060 0.000 1.206 425 L HN 0.709 nan 8.230 nan 0.000 0.429 426 W N 3.126 124.415 121.300 -0.019 0.000 2.364 426 W HA -0.156 4.522 4.660 0.030 0.000 0.281 426 W C 0.524 177.164 176.519 0.201 0.000 1.219 426 W CA 0.615 58.012 57.345 0.087 0.000 1.220 426 W CB -0.313 29.234 29.460 0.145 0.000 1.127 426 W HN 0.534 nan 8.180 nan 0.000 0.556 427 Y N -3.797 116.655 120.300 0.254 0.000 2.741 427 Y HA 0.523 5.089 4.550 0.027 0.000 0.339 427 Y C -1.285 174.713 175.900 0.163 0.000 1.226 427 Y CA -2.157 56.052 58.100 0.181 0.000 1.072 427 Y CB 0.455 39.025 38.460 0.182 0.000 1.331 427 Y HN -0.160 nan 8.280 nan 0.000 0.453 428 Q N 2.483 122.478 119.800 0.324 0.000 2.309 428 Q HA 0.473 4.830 4.340 0.029 0.000 0.254 428 Q C -1.482 174.696 176.000 0.295 0.000 0.938 428 Q CA -0.720 55.212 55.803 0.214 0.000 0.789 428 Q CB 2.650 31.461 28.738 0.122 0.000 1.313 428 Q HN 0.706 nan 8.270 nan 0.000 0.438 429 L N 2.209 123.629 121.223 0.328 0.000 2.514 429 L HA 0.044 4.401 4.340 0.029 0.000 0.280 429 L C 0.836 177.839 176.870 0.223 0.000 1.223 429 L CA 0.102 55.102 54.840 0.266 0.000 0.864 429 L CB 0.188 42.385 42.059 0.229 0.000 1.118 429 L HN 0.440 nan 8.230 nan 0.000 0.494 430 E N 2.301 122.651 120.200 0.250 0.000 2.404 430 E HA -0.043 4.324 4.350 0.029 0.000 0.261 430 E C 0.408 177.178 176.600 0.283 0.000 1.074 430 E CA 0.101 56.634 56.400 0.223 0.000 0.917 430 E CB 0.818 30.633 29.700 0.191 0.000 0.965 430 E HN 0.387 nan 8.360 nan 0.000 0.433 431 K N 0.839 121.324 120.400 0.142 0.000 2.400 431 K HA -0.006 4.331 4.320 0.029 0.000 0.194 431 K C -0.117 176.512 176.600 0.049 0.000 1.033 431 K CA 0.651 57.018 56.287 0.133 0.000 1.021 431 K CB 0.532 33.067 32.500 0.058 0.000 0.808 431 K HN 0.275 nan 8.250 nan 0.000 0.505 432 E N 0.329 120.413 120.200 -0.194 0.000 2.367 432 E HA 0.310 4.677 4.350 0.029 0.000 0.273 432 E C -2.760 173.236 176.600 -1.007 0.000 0.903 432 E CA -2.599 53.498 56.400 -0.505 0.000 0.764 432 E CB 1.688 31.244 29.700 -0.240 0.000 1.252 432 E HN -0.139 nan 8.360 nan 0.000 0.446 433 P HA 0.058 nan 4.420 nan 0.000 0.267 433 P C -0.239 176.861 177.300 -0.332 0.000 1.201 433 P CA 0.354 62.956 63.100 -0.830 0.000 0.775 433 P CB 0.387 31.884 31.700 -0.339 0.000 0.854 434 I N 2.053 122.548 120.570 -0.124 0.000 2.301 434 I HA 0.105 4.292 4.170 0.029 0.000 0.292 434 I C 0.195 176.300 176.117 -0.020 0.000 1.046 434 I CA -0.772 60.500 61.300 -0.046 0.000 1.282 434 I CB 0.805 38.816 38.000 0.018 0.000 1.409 434 I HN 0.016 nan 8.210 nan 0.000 0.484 435 V N 6.421 126.317 119.914 -0.029 0.000 2.655 435 V HA 0.183 4.320 4.120 0.029 0.000 0.300 435 V C 1.317 177.414 176.094 0.005 0.000 1.044 435 V CA 1.248 63.541 62.300 -0.011 0.000 1.095 435 V CB 0.747 32.560 31.823 -0.016 0.000 0.952 435 V HN 1.136 nan 8.190 nan 0.000 0.485 436 G N 3.739 112.547 108.800 0.014 0.000 2.179 436 G HA2 -0.126 3.851 3.960 0.029 0.000 0.260 436 G HA3 -0.126 3.851 3.960 0.029 0.000 0.260 436 G C 0.302 175.220 174.900 0.030 0.000 0.977 436 G CA 0.226 45.338 45.100 0.019 0.000 0.641 436 G HN 1.516 nan 8.290 nan 0.000 0.533 437 A N -0.137 122.707 122.820 0.040 0.000 2.312 437 A HA 0.747 5.085 4.320 0.029 0.000 0.326 437 A C 0.311 177.944 177.584 0.081 0.000 1.172 437 A CA 0.303 52.376 52.037 0.059 0.000 0.821 437 A CB 0.823 19.860 19.000 0.061 0.000 1.166 437 A HN 0.624 nan 8.150 nan 0.000 0.493 438 E N 0.719 120.985 120.200 0.108 0.000 2.415 438 E HA 0.202 4.569 4.350 0.029 0.000 0.262 438 E C -0.720 175.996 176.600 0.194 0.000 1.038 438 E CA 0.319 56.792 56.400 0.122 0.000 0.921 438 E CB 0.434 30.222 29.700 0.146 0.000 0.950 438 E HN 0.500 nan 8.360 nan 0.000 0.438 439 T N 5.085 119.721 114.554 0.136 0.000 2.821 439 T HA 0.289 4.656 4.350 0.029 0.000 0.307 439 T C -1.003 173.803 174.700 0.178 0.000 1.034 439 T CA -0.433 61.768 62.100 0.169 0.000 0.953 439 T CB -0.113 68.839 68.868 0.140 0.000 0.968 439 T HN 0.228 nan 8.240 nan 0.000 0.462 440 F N 2.689 122.608 119.950 -0.052 0.000 2.420 440 F HA 0.376 4.921 4.527 0.030 0.000 0.352 440 F C 0.077 175.865 175.800 -0.019 0.000 1.108 440 F CA -1.259 56.721 58.000 -0.033 0.000 1.162 440 F CB 0.491 39.383 39.000 -0.181 0.000 1.118 440 F HN 0.497 nan 8.300 nan 0.000 0.510 441 Y N 3.338 123.727 120.300 0.149 0.000 2.595 441 Y HA 0.423 4.990 4.550 0.029 0.000 0.336 441 Y C 0.153 176.146 175.900 0.155 0.000 0.996 441 Y CA -1.045 57.119 58.100 0.107 0.000 1.260 441 Y CB 0.700 39.190 38.460 0.049 0.000 1.108 441 Y HN 0.388 nan 8.280 nan 0.000 0.509 442 V N -0.129 119.920 119.914 0.226 0.000 2.743 442 V HA 0.756 4.894 4.120 0.029 0.000 0.301 442 V C -0.632 175.545 176.094 0.138 0.000 1.057 442 V CA -0.462 61.969 62.300 0.219 0.000 1.006 442 V CB 1.989 33.922 31.823 0.183 0.000 1.024 442 V HN 0.607 nan 8.190 nan 0.000 0.473 443 D N 1.181 121.654 120.400 0.121 0.000 2.886 443 D HA 0.695 5.352 4.640 0.029 0.000 0.216 443 D C -0.413 175.922 176.300 0.059 0.000 1.256 443 D CA 0.404 54.446 54.000 0.071 0.000 0.844 443 D CB 2.013 42.846 40.800 0.055 0.000 1.669 443 D HN 1.150 nan 8.370 nan 0.000 0.513 444 G N 0.492 109.319 108.800 0.045 0.000 2.571 444 G HA2 0.856 4.833 3.960 0.029 0.000 0.304 444 G HA3 0.856 4.833 3.960 0.029 0.000 0.304 444 G C -1.474 173.446 174.900 0.034 0.000 1.314 444 G CA -0.478 44.645 45.100 0.038 0.000 0.975 444 G HN 0.669 nan 8.290 nan 0.000 0.485 445 A N -0.370 122.469 122.820 0.031 0.000 2.540 445 A HA 0.976 5.313 4.320 0.029 0.000 0.297 445 A C -0.539 177.061 177.584 0.027 0.000 1.056 445 A CA 0.100 52.158 52.037 0.035 0.000 0.700 445 A CB 1.402 20.427 19.000 0.042 0.000 1.280 445 A HN 2.345 nan 8.150 nan 0.000 0.398 446 A N 1.586 124.423 122.820 0.028 0.000 2.587 446 A HA 0.767 5.104 4.320 0.029 0.000 0.293 446 A C -0.907 176.690 177.584 0.021 0.000 1.087 446 A CA -0.683 51.366 52.037 0.020 0.000 0.692 446 A CB 1.226 20.234 19.000 0.014 0.000 1.291 446 A HN 0.883 nan 8.150 nan 0.000 0.407 447 N N 0.969 119.678 118.700 0.015 0.000 2.401 447 N HA 0.073 4.830 4.740 0.029 0.000 0.255 447 N C 0.679 176.196 175.510 0.012 0.000 1.110 447 N CA -0.364 52.694 53.050 0.014 0.000 0.949 447 N CB 0.708 39.201 38.487 0.010 0.000 1.110 447 N HN 0.572 nan 8.380 nan 0.000 0.490 448 R N 2.649 123.158 120.500 0.015 0.000 2.249 448 R HA -0.109 4.249 4.340 0.029 0.000 0.230 448 R C 0.818 177.123 176.300 0.009 0.000 1.121 448 R CA 1.148 57.256 56.100 0.013 0.000 0.997 448 R CB 0.179 30.489 30.300 0.016 0.000 0.867 448 R HN 0.717 nan 8.270 nan 0.000 0.465 449 E N -1.149 119.056 120.200 0.008 0.000 2.162 449 E HA -0.038 4.329 4.350 0.029 0.000 0.193 449 E C 1.620 178.223 176.600 0.004 0.000 0.953 449 E CA 1.211 57.614 56.400 0.006 0.000 0.849 449 E CB 0.167 29.871 29.700 0.005 0.000 0.810 449 E HN 0.359 nan 8.360 nan 0.000 0.470 450 T N -1.049 113.508 114.554 0.005 0.000 3.088 450 T HA 0.054 4.422 4.350 0.029 0.000 0.259 450 T C 0.764 175.466 174.700 0.003 0.000 1.122 450 T CA 0.139 62.241 62.100 0.003 0.000 1.095 450 T CB -0.142 68.728 68.868 0.003 0.000 0.930 450 T HN 0.026 nan 8.240 nan 0.000 0.508 451 K N 0.603 121.005 120.400 0.004 0.000 3.088 451 K HA -0.101 4.236 4.320 0.029 0.000 0.273 451 K C -0.651 175.950 176.600 0.002 0.000 1.111 451 K CA 0.145 56.433 56.287 0.002 0.000 0.803 451 K CB -1.559 30.941 32.500 0.000 0.000 1.226 451 K HN 0.368 nan 8.250 nan 0.000 0.485 452 L N 0.742 121.967 121.223 0.004 0.000 2.307 452 L HA 0.639 4.996 4.340 0.029 0.000 0.284 452 L C 0.894 177.768 176.870 0.006 0.000 1.023 452 L CA 0.278 55.120 54.840 0.004 0.000 0.810 452 L CB 1.473 43.534 42.059 0.003 0.000 1.231 452 L HN 0.334 nan 8.230 nan 0.000 0.423 453 G N 3.353 112.156 108.800 0.005 0.000 2.682 453 G HA2 0.594 4.571 3.960 0.029 0.000 0.290 453 G HA3 0.594 4.571 3.960 0.029 0.000 0.290 453 G C -1.489 173.415 174.900 0.007 0.000 1.425 453 G CA -0.520 44.585 45.100 0.008 0.000 0.807 453 G HN 0.414 nan 8.290 nan 0.000 0.482 454 K N -0.768 119.638 120.400 0.009 0.000 2.375 454 K HA 0.772 5.109 4.320 0.029 0.000 0.249 454 K C -0.939 175.667 176.600 0.011 0.000 0.942 454 K CA -0.738 55.552 56.287 0.005 0.000 0.806 454 K CB 2.698 35.198 32.500 0.000 0.000 1.227 454 K HN 0.789 nan 8.250 nan 0.000 0.430 455 A N 0.967 123.792 122.820 0.007 0.000 2.455 455 A HA 0.890 5.227 4.320 0.029 0.000 0.300 455 A C -0.725 176.859 177.584 -0.001 0.000 1.040 455 A CA -0.384 51.666 52.037 0.022 0.000 0.697 455 A CB 1.919 20.943 19.000 0.040 0.000 1.265 455 A HN 0.795 nan 8.150 nan 0.000 0.407 456 G N -0.153 108.656 108.800 0.015 0.000 2.489 456 G HA2 0.713 4.691 3.960 0.029 0.000 0.305 456 G HA3 0.713 4.691 3.960 0.029 0.000 0.305 456 G C -1.468 173.471 174.900 0.066 0.000 1.311 456 G CA 0.257 45.317 45.100 -0.066 0.000 0.813 456 G HN 2.049 nan 8.290 nan 0.000 0.480 457 Y N -2.847 117.510 120.300 0.094 0.000 2.670 457 Y HA 0.840 5.407 4.550 0.029 0.000 0.334 457 Y C -1.211 174.724 175.900 0.058 0.000 1.185 457 Y CA -1.862 56.314 58.100 0.126 0.000 1.053 457 Y CB 1.373 39.989 38.460 0.260 0.000 1.298 457 Y HN 0.771 nan 8.280 nan 0.000 0.459 458 V N 1.569 121.706 119.914 0.371 0.000 2.752 458 V HA 0.611 4.748 4.120 0.029 0.000 0.302 458 V C -0.523 175.630 176.094 0.098 0.000 1.133 458 V CA -0.120 62.284 62.300 0.173 0.000 0.919 458 V CB 1.879 33.733 31.823 0.052 0.000 1.026 458 V HN 1.182 nan 8.190 nan 0.000 0.429 459 T N 0.103 114.616 114.554 -0.068 0.000 2.950 459 T HA 0.316 4.683 4.350 0.029 0.000 0.288 459 T C 1.141 175.792 174.700 -0.081 0.000 1.035 459 T CA -0.278 61.722 62.100 -0.168 0.000 1.028 459 T CB 1.488 70.000 68.868 -0.594 0.000 1.109 459 T HN 0.690 nan 8.240 nan 0.000 0.514 460 N N 1.590 120.283 118.700 -0.013 0.000 2.348 460 N HA -0.170 4.587 4.740 0.029 0.000 0.185 460 N C 1.244 176.730 175.510 -0.041 0.000 1.019 460 N CA 0.862 53.906 53.050 -0.010 0.000 0.880 460 N CB -0.397 38.122 38.487 0.054 0.000 0.965 460 N HN 0.683 nan 8.380 nan 0.000 0.437 461 R N -0.668 119.788 120.500 -0.073 0.000 2.310 461 R HA 0.146 4.504 4.340 0.029 0.000 0.202 461 R C 0.847 177.109 176.300 -0.064 0.000 0.933 461 R CA 0.483 56.544 56.100 -0.065 0.000 1.054 461 R CB 0.086 30.341 30.300 -0.075 0.000 0.985 461 R HN 0.442 nan 8.270 nan 0.000 0.489 462 G N 1.634 110.392 108.800 -0.070 0.000 2.176 462 G HA2 -0.324 3.653 3.960 0.029 0.000 0.253 462 G HA3 -0.324 3.653 3.960 0.029 0.000 0.253 462 G C 0.130 175.007 174.900 -0.038 0.000 0.979 462 G CA -0.033 45.037 45.100 -0.050 0.000 0.641 462 G HN 0.344 nan 8.290 nan 0.000 0.530 463 R N 1.096 121.561 120.500 -0.058 0.000 2.438 463 R HA 0.505 4.862 4.340 0.029 0.000 0.287 463 R C 0.359 176.717 176.300 0.096 0.000 1.077 463 R CA 0.385 56.489 56.100 0.006 0.000 1.034 463 R CB 0.244 30.520 30.300 -0.041 0.000 0.993 463 R HN 0.625 nan 8.270 nan 0.000 0.459 464 Q N 2.776 122.635 119.800 0.099 0.000 2.511 464 Q HA 0.509 4.866 4.340 0.029 0.000 0.289 464 Q C -1.694 174.171 176.000 -0.224 0.000 1.021 464 Q CA -1.225 54.570 55.803 -0.013 0.000 0.785 464 Q CB 2.615 31.328 28.738 -0.041 0.000 1.472 464 Q HN 0.542 nan 8.270 nan 0.000 0.411 465 K N 0.585 120.666 120.400 -0.531 0.000 2.598 465 K HA 0.578 4.915 4.320 0.029 0.000 0.271 465 K C -2.162 174.194 176.600 -0.408 0.000 0.947 465 K CA -0.552 55.432 56.287 -0.504 0.000 0.854 465 K CB 2.526 34.613 32.500 -0.688 0.000 1.401 465 K HN 0.529 nan 8.250 nan 0.000 0.415 466 V N 2.326 122.109 119.914 -0.219 0.000 2.971 466 V HA 0.620 4.757 4.120 0.029 0.000 0.309 466 V C -1.239 174.804 176.094 -0.084 0.000 1.130 466 V CA -0.834 61.386 62.300 -0.133 0.000 0.964 466 V CB 2.200 33.970 31.823 -0.088 0.000 1.029 466 V HN 0.559 nan 8.190 nan 0.000 0.427 467 V N 1.669 121.553 119.914 -0.051 0.000 2.733 467 V HA 0.491 4.628 4.120 0.029 0.000 0.306 467 V C -0.227 175.860 176.094 -0.011 0.000 1.084 467 V CA -0.366 61.919 62.300 -0.024 0.000 0.905 467 V CB 2.672 34.491 31.823 -0.007 0.000 1.010 467 V HN 0.947 nan 8.190 nan 0.000 0.424 468 T N 6.411 120.961 114.554 -0.008 0.000 2.799 468 T HA 0.709 5.076 4.350 0.029 0.000 0.286 468 T C -0.473 174.228 174.700 0.001 0.000 0.973 468 T CA -0.103 61.994 62.100 -0.003 0.000 1.035 468 T CB 0.480 69.346 68.868 -0.005 0.000 0.932 468 T HN 0.359 nan 8.240 nan 0.000 0.469 469 L N 3.210 124.435 121.223 0.003 0.000 2.362 469 L HA 0.686 5.043 4.340 0.029 0.000 0.271 469 L C 0.518 177.389 176.870 0.001 0.000 1.002 469 L CA -1.037 53.805 54.840 0.003 0.000 0.818 469 L CB 2.270 44.332 42.059 0.005 0.000 1.298 469 L HN 0.661 nan 8.230 nan 0.000 0.420 470 T N -2.929 111.625 114.554 -0.000 0.000 2.912 470 T HA 0.426 4.793 4.350 0.029 0.000 0.288 470 T C -0.138 174.561 174.700 -0.003 0.000 1.030 470 T CA -0.582 61.517 62.100 -0.001 0.000 1.020 470 T CB 1.698 70.566 68.868 -0.001 0.000 1.056 470 T HN 0.671 nan 8.240 nan 0.000 0.480 471 D N -0.028 120.371 120.400 -0.003 0.000 2.697 471 D HA -0.168 4.489 4.640 0.029 0.000 0.238 471 D C -0.222 176.074 176.300 -0.007 0.000 1.152 471 D CA 1.671 55.668 54.000 -0.004 0.000 0.666 471 D CB -1.126 39.671 40.800 -0.005 0.000 1.037 471 D HN 0.945 nan 8.370 nan 0.000 0.423 472 T N -0.987 113.563 114.554 -0.006 0.000 2.907 472 T HA 0.785 5.153 4.350 0.029 0.000 0.290 472 T C -0.076 174.619 174.700 -0.008 0.000 1.066 472 T CA 0.231 62.325 62.100 -0.010 0.000 1.012 472 T CB 1.563 70.426 68.868 -0.008 0.000 1.184 472 T HN 0.268 nan 8.240 nan 0.000 0.522 473 T N 0.352 114.899 114.554 -0.012 0.000 2.950 473 T HA 0.392 4.760 4.350 0.029 0.000 0.288 473 T C 1.054 175.752 174.700 -0.004 0.000 1.035 473 T CA -0.663 61.432 62.100 -0.007 0.000 1.028 473 T CB 1.373 70.233 68.868 -0.013 0.000 1.109 473 T HN 0.564 nan 8.240 nan 0.000 0.514 474 N N 0.511 119.215 118.700 0.007 0.000 2.084 474 N HA -0.202 4.556 4.740 0.029 0.000 0.190 474 N C 2.081 177.597 175.510 0.010 0.000 1.030 474 N CA 2.109 55.169 53.050 0.017 0.000 0.849 474 N CB -0.374 38.133 38.487 0.032 0.000 1.012 474 N HN 0.854 nan 8.380 nan 0.000 0.423 475 Q N 0.308 120.108 119.800 0.000 0.000 2.170 475 Q HA -0.165 4.192 4.340 0.029 0.000 0.203 475 Q C 1.630 177.590 176.000 -0.067 0.000 0.976 475 Q CA 1.424 57.214 55.803 -0.022 0.000 0.858 475 Q CB -0.116 28.605 28.738 -0.029 0.000 0.907 475 Q HN 0.270 nan 8.270 nan 0.000 0.433 476 K N 0.393 120.755 120.400 -0.063 0.000 2.097 476 K HA -0.105 4.232 4.320 0.029 0.000 0.205 476 K C 2.377 178.954 176.600 -0.039 0.000 1.050 476 K CA 1.846 58.089 56.287 -0.074 0.000 0.938 476 K CB -0.167 32.296 32.500 -0.061 0.000 0.718 476 K HN 0.558 nan 8.250 nan 0.000 0.442 477 T N -0.665 113.881 114.554 -0.013 0.000 2.777 477 T HA -0.131 4.236 4.350 0.029 0.000 0.266 477 T C 1.732 176.444 174.700 0.021 0.000 1.040 477 T CA 1.075 63.181 62.100 0.009 0.000 1.141 477 T CB -0.222 68.655 68.868 0.015 0.000 0.868 477 T HN 0.238 nan 8.240 nan 0.000 0.444 478 E N 1.139 121.348 120.200 0.016 0.000 2.051 478 E HA -0.030 4.337 4.350 0.029 0.000 0.192 478 E C 2.260 178.877 176.600 0.028 0.000 0.991 478 E CA 1.239 57.657 56.400 0.031 0.000 0.799 478 E CB -0.354 29.369 29.700 0.038 0.000 0.748 478 E HN 0.490 nan 8.360 nan 0.000 0.449 479 L N 0.527 121.739 121.223 -0.018 0.000 2.109 479 L HA -0.184 4.173 4.340 0.029 0.000 0.207 479 L C 2.675 179.564 176.870 0.032 0.000 1.086 479 L CA 0.841 55.660 54.840 -0.035 0.000 0.760 479 L CB -0.265 41.702 42.059 -0.154 0.000 0.910 479 L HN 0.115 nan 8.230 nan 0.000 0.437 480 Q N 0.638 120.461 119.800 0.038 0.000 2.170 480 Q HA -0.152 4.205 4.340 0.029 0.000 0.203 480 Q C 2.125 178.222 176.000 0.162 0.000 0.976 480 Q CA 1.838 57.713 55.803 0.119 0.000 0.858 480 Q CB -0.169 28.615 28.738 0.076 0.000 0.907 480 Q HN 0.425 nan 8.270 nan 0.000 0.433 481 A N 0.086 122.975 122.820 0.116 0.000 1.930 481 A HA -0.096 4.241 4.320 0.029 0.000 0.217 481 A C 2.082 179.758 177.584 0.153 0.000 1.175 481 A CA 1.366 53.489 52.037 0.142 0.000 0.627 481 A CB -0.593 18.477 19.000 0.116 0.000 0.815 481 A HN 0.475 nan 8.150 nan 0.000 0.443 482 I N -2.069 118.567 120.570 0.110 0.000 2.315 482 I HA -0.206 3.981 4.170 0.029 0.000 0.248 482 I C 2.435 178.590 176.117 0.062 0.000 1.117 482 I CA 1.277 62.616 61.300 0.064 0.000 1.404 482 I CB -0.342 37.689 38.000 0.053 0.000 1.071 482 I HN 0.491 nan 8.210 nan 0.000 0.419 483 Y N 1.784 122.070 120.300 -0.023 0.000 2.145 483 Y HA -0.194 4.373 4.550 0.027 0.000 0.286 483 Y C 2.264 178.154 175.900 -0.016 0.000 1.145 483 Y CA 1.495 59.574 58.100 -0.035 0.000 1.148 483 Y CB -0.407 38.038 38.460 -0.026 0.000 0.981 483 Y HN 0.012 nan 8.280 nan 0.000 0.507 484 L N -0.572 120.626 121.223 -0.042 0.000 2.083 484 L HA -0.206 4.151 4.340 0.029 0.000 0.209 484 L C 2.747 179.596 176.870 -0.035 0.000 1.083 484 L CA 1.117 55.948 54.840 -0.016 0.000 0.752 484 L CB -0.987 41.208 42.059 0.226 0.000 0.899 484 L HN 0.284 nan 8.230 nan 0.000 0.433 485 A N 0.257 123.013 122.820 -0.108 0.000 1.877 485 A HA -0.176 4.162 4.320 0.029 0.000 0.216 485 A C 2.256 179.353 177.584 -0.811 0.000 1.186 485 A CA 1.487 53.132 52.037 -0.653 0.000 0.620 485 A CB -0.693 18.011 19.000 -0.494 0.000 0.822 485 A HN 0.343 nan 8.150 nan 0.000 0.443 486 L N -0.930 120.011 121.223 -0.470 0.000 2.017 486 L HA -0.263 4.094 4.340 0.029 0.000 0.208 486 L C 2.957 179.610 176.870 -0.362 0.000 1.073 486 L CA 1.716 56.325 54.840 -0.385 0.000 0.745 486 L CB -0.685 41.235 42.059 -0.231 0.000 0.894 486 L HN 0.479 nan 8.230 nan 0.000 0.432 487 Q N -0.159 119.399 119.800 -0.403 0.000 2.096 487 Q HA -0.222 4.136 4.340 0.029 0.000 0.204 487 Q C 1.343 177.231 176.000 -0.188 0.000 0.982 487 Q CA 1.650 57.258 55.803 -0.325 0.000 0.850 487 Q CB -0.105 28.386 28.738 -0.412 0.000 0.901 487 Q HN 0.504 nan 8.270 nan 0.000 0.422 488 D N 0.073 120.375 120.400 -0.164 0.000 2.340 488 D HA 0.003 4.660 4.640 0.029 0.000 0.220 488 D C 0.458 176.758 176.300 -0.001 0.000 1.039 488 D CA 0.263 54.252 54.000 -0.017 0.000 0.866 488 D CB 0.169 41.082 40.800 0.188 0.000 0.913 488 D HN 0.136 nan 8.370 nan 0.000 0.523 489 S N -0.847 114.721 115.700 -0.220 0.000 2.713 489 S HA 0.672 5.159 4.470 0.029 0.000 0.283 489 S C 0.887 175.454 174.600 -0.056 0.000 1.161 489 S CA -0.668 57.456 58.200 -0.125 0.000 0.999 489 S CB 1.969 64.856 63.200 -0.523 0.000 1.039 489 S HN 0.051 nan 8.310 nan 0.000 0.548 490 G N -0.072 108.734 108.800 0.010 0.000 2.485 490 G HA2 0.316 4.293 3.960 0.029 0.000 0.260 490 G HA3 0.316 4.293 3.960 0.029 0.000 0.260 490 G C 0.594 175.484 174.900 -0.018 0.000 1.459 490 G CA -0.683 44.420 45.100 0.006 0.000 1.060 490 G HN 0.585 nan 8.290 nan 0.000 0.546 491 L N -0.406 120.817 121.223 -0.001 0.000 2.376 491 L HA 0.185 4.542 4.340 0.029 0.000 0.219 491 L C 1.062 177.934 176.870 0.003 0.000 1.133 491 L CA 1.270 56.110 54.840 0.000 0.000 0.816 491 L CB -1.036 41.031 42.059 0.013 0.000 0.933 491 L HN 0.467 nan 8.230 nan 0.000 0.449 492 E N -0.829 119.377 120.200 0.010 0.000 2.224 492 E HA 0.510 4.877 4.350 0.029 0.000 0.265 492 E C -1.260 175.353 176.600 0.022 0.000 0.878 492 E CA -0.191 56.222 56.400 0.021 0.000 0.759 492 E CB 3.195 32.914 29.700 0.032 0.000 1.164 492 E HN -0.176 nan 8.360 nan 0.000 0.414 493 V N 3.492 123.415 119.914 0.015 0.000 2.969 493 V HA 0.400 4.537 4.120 0.029 0.000 0.304 493 V C -1.767 174.357 176.094 0.049 0.000 1.192 493 V CA -0.722 61.587 62.300 0.015 0.000 0.962 493 V CB 2.314 34.052 31.823 -0.141 0.000 1.045 493 V HN 0.640 nan 8.190 nan 0.000 0.428 494 N N 5.597 124.357 118.700 0.100 0.000 2.400 494 N HA 0.645 5.402 4.740 0.029 0.000 0.288 494 N C -1.139 174.401 175.510 0.049 0.000 1.024 494 N CA -0.185 52.939 53.050 0.123 0.000 0.894 494 N CB 2.188 40.768 38.487 0.154 0.000 1.173 494 N HN 0.627 nan 8.380 nan 0.000 0.487 495 I N 1.596 122.146 120.570 -0.033 0.000 2.499 495 I HA 0.262 4.449 4.170 0.029 0.000 0.288 495 I C -0.207 175.829 176.117 -0.136 0.000 1.048 495 I CA -1.145 60.111 61.300 -0.073 0.000 1.062 495 I CB 2.177 40.117 38.000 -0.101 0.000 1.238 495 I HN 0.140 nan 8.210 nan 0.000 0.426 496 V N 2.834 122.629 119.914 -0.198 0.000 2.513 496 V HA 0.843 4.981 4.120 0.029 0.000 0.299 496 V C -0.599 175.415 176.094 -0.134 0.000 1.035 496 V CA 0.080 62.239 62.300 -0.235 0.000 0.889 496 V CB 1.785 33.342 31.823 -0.443 0.000 0.988 496 V HN 0.832 nan 8.190 nan 0.000 0.440 497 T N 2.312 116.808 114.554 -0.096 0.000 2.868 497 T HA 0.500 4.867 4.350 0.029 0.000 0.306 497 T C -0.444 174.177 174.700 -0.132 0.000 1.224 497 T CA 0.256 62.329 62.100 -0.044 0.000 1.012 497 T CB 1.971 70.866 68.868 0.044 0.000 1.221 497 T HN 1.029 nan 8.240 nan 0.000 0.499 498 D N 0.866 121.192 120.400 -0.123 0.000 2.402 498 D HA 0.197 4.854 4.640 0.029 0.000 0.216 498 D C 0.557 176.946 176.300 0.150 0.000 1.128 498 D CA -0.207 53.651 54.000 -0.237 0.000 0.833 498 D CB 0.090 40.738 40.800 -0.254 0.000 0.971 498 D HN 0.271 nan 8.370 nan 0.000 0.503 499 S N 0.394 116.233 115.700 0.233 0.000 2.510 499 S HA 0.006 4.493 4.470 0.029 0.000 0.279 499 S C 1.239 176.062 174.600 0.372 0.000 1.284 499 S CA -0.378 57.982 58.200 0.267 0.000 1.059 499 S CB 0.875 64.189 63.200 0.189 0.000 0.901 499 S HN 0.035 nan 8.310 nan 0.000 0.491 500 Q N 3.668 123.628 119.800 0.267 0.000 2.170 500 Q HA -0.137 4.220 4.340 0.029 0.000 0.203 500 Q C 1.280 177.281 176.000 0.002 0.000 0.976 500 Q CA 1.607 57.453 55.803 0.072 0.000 0.858 500 Q CB -0.349 28.414 28.738 0.042 0.000 0.907 500 Q HN 0.991 nan 8.270 nan 0.000 0.433 501 Y N 0.575 120.872 120.300 -0.006 0.000 2.293 501 Y HA -0.163 4.404 4.550 0.028 0.000 0.291 501 Y C 2.091 177.985 175.900 -0.009 0.000 1.137 501 Y CA 1.247 59.333 58.100 -0.023 0.000 1.202 501 Y CB 0.030 38.482 38.460 -0.014 0.000 0.990 501 Y HN 0.126 nan 8.280 nan 0.000 0.537 502 A N -0.624 122.347 122.820 0.251 0.000 2.121 502 A HA -0.126 4.211 4.320 0.029 0.000 0.218 502 A C 1.939 179.557 177.584 0.057 0.000 1.154 502 A CA 1.215 53.366 52.037 0.190 0.000 0.679 502 A CB -0.784 18.336 19.000 0.200 0.000 0.795 502 A HN 0.503 nan 8.150 nan 0.000 0.458 503 L N -0.420 120.751 121.223 -0.087 0.000 2.179 503 L HA 0.091 4.448 4.340 0.029 0.000 0.208 503 L C 2.376 179.111 176.870 -0.225 0.000 1.096 503 L CA 1.846 56.524 54.840 -0.270 0.000 0.779 503 L CB -0.845 40.840 42.059 -0.622 0.000 0.922 503 L HN 0.304 nan 8.230 nan 0.000 0.443 504 G N -0.566 108.095 108.800 -0.232 0.000 2.394 504 G HA2 -0.194 3.784 3.960 0.029 0.000 0.215 504 G HA3 -0.194 3.784 3.960 0.029 0.000 0.215 504 G C 1.634 176.479 174.900 -0.092 0.000 1.165 504 G CA 0.848 45.804 45.100 -0.240 0.000 0.784 504 G HN 0.408 nan 8.290 nan 0.000 0.535 505 I N 0.579 121.148 120.570 -0.000 0.000 2.335 505 I HA -0.152 4.035 4.170 0.029 0.000 0.251 505 I C 2.561 178.761 176.117 0.139 0.000 1.129 505 I CA 0.814 62.200 61.300 0.143 0.000 1.402 505 I CB -0.150 37.977 38.000 0.211 0.000 1.069 505 I HN 0.171 nan 8.210 nan 0.000 0.424 506 I N 0.019 120.627 120.570 0.062 0.000 2.286 506 I HA -0.279 3.908 4.170 0.029 0.000 0.245 506 I C 2.667 178.811 176.117 0.046 0.000 1.104 506 I CA 1.271 62.604 61.300 0.055 0.000 1.397 506 I CB -0.343 37.656 38.000 -0.002 0.000 1.072 506 I HN 0.311 nan 8.210 nan 0.000 0.417 507 Q N 0.880 120.667 119.800 -0.022 0.000 2.083 507 Q HA -0.137 4.220 4.340 0.029 0.000 0.198 507 Q C 2.173 178.204 176.000 0.051 0.000 0.969 507 Q CA 1.688 57.461 55.803 -0.050 0.000 0.838 507 Q CB 0.056 28.665 28.738 -0.215 0.000 0.900 507 Q HN 0.527 nan 8.270 nan 0.000 0.436 508 A N -0.300 122.581 122.820 0.102 0.000 2.063 508 A HA 0.035 4.372 4.320 0.029 0.000 0.211 508 A C 0.367 178.194 177.584 0.406 0.000 1.177 508 A CA 0.197 52.416 52.037 0.304 0.000 0.759 508 A CB 0.191 19.341 19.000 0.250 0.000 0.857 508 A HN 0.498 nan 8.150 nan 0.000 0.468 509 Q N -0.289 119.694 119.800 0.305 0.000 2.443 509 Q HA -0.125 4.233 4.340 0.029 0.000 0.337 509 Q C -2.257 173.923 176.000 0.299 0.000 1.401 509 Q CA 0.409 56.404 55.803 0.319 0.000 0.943 509 Q CB -1.632 27.220 28.738 0.190 0.000 1.177 509 Q HN 0.589 nan 8.270 nan 0.000 0.394 510 P HA -0.018 nan 4.420 nan 0.000 0.271 510 P C -0.097 177.399 177.300 0.326 0.000 1.218 510 P CA 0.339 63.629 63.100 0.317 0.000 0.780 510 P CB 0.724 32.623 31.700 0.331 0.000 0.901 511 D N 0.256 120.792 120.400 0.227 0.000 2.469 511 D HA 0.055 4.712 4.640 0.029 0.000 0.215 511 D C 0.067 176.387 176.300 0.033 0.000 1.154 511 D CA -0.009 54.090 54.000 0.166 0.000 0.832 511 D CB 0.146 41.025 40.800 0.132 0.000 1.008 511 D HN 0.521 nan 8.370 nan 0.000 0.506 512 Q N -1.656 118.203 119.800 0.098 0.000 2.403 512 Q HA 0.594 4.951 4.340 0.029 0.000 0.267 512 Q C -1.464 174.614 176.000 0.131 0.000 0.991 512 Q CA -0.910 54.931 55.803 0.064 0.000 0.906 512 Q CB 1.724 30.483 28.738 0.035 0.000 1.422 512 Q HN -0.051 nan 8.270 nan 0.000 0.400 513 S N -0.162 115.600 115.700 0.103 0.000 2.651 513 S HA 0.258 4.745 4.470 0.029 0.000 0.279 513 S C 0.004 174.650 174.600 0.076 0.000 1.148 513 S CA -0.068 58.213 58.200 0.134 0.000 0.837 513 S CB 1.736 65.022 63.200 0.143 0.000 1.138 513 S HN 0.832 nan 8.310 nan 0.000 0.478 514 E N 0.388 120.633 120.200 0.075 0.000 2.299 514 E HA 0.113 4.480 4.350 0.029 0.000 0.193 514 E C 0.483 177.085 176.600 0.004 0.000 0.998 514 E CA 0.304 56.728 56.400 0.040 0.000 0.851 514 E CB 0.005 29.733 29.700 0.047 0.000 0.795 514 E HN 0.269 nan 8.360 nan 0.000 0.492 515 S N 0.735 116.429 115.700 -0.009 0.000 2.474 515 S HA 0.045 4.532 4.470 0.029 0.000 0.276 515 S C 0.739 175.294 174.600 -0.075 0.000 1.227 515 S CA -0.419 57.745 58.200 -0.061 0.000 1.050 515 S CB 1.343 64.474 63.200 -0.116 0.000 0.939 515 S HN 0.347 nan 8.310 nan 0.000 0.490 516 E N 4.517 124.666 120.200 -0.085 0.000 2.110 516 E HA -0.120 4.247 4.350 0.029 0.000 0.193 516 E C 1.678 178.185 176.600 -0.155 0.000 0.988 516 E CA 1.370 57.710 56.400 -0.101 0.000 0.804 516 E CB -0.231 29.414 29.700 -0.093 0.000 0.745 516 E HN 0.837 nan 8.360 nan 0.000 0.458 517 L N -0.329 120.784 121.223 -0.183 0.000 2.017 517 L HA -0.183 4.174 4.340 0.029 0.000 0.208 517 L C 2.246 178.969 176.870 -0.245 0.000 1.073 517 L CA 1.245 55.929 54.840 -0.260 0.000 0.745 517 L CB -0.228 41.691 42.059 -0.233 0.000 0.894 517 L HN 0.149 nan 8.230 nan 0.000 0.432 518 V N 0.417 120.222 119.914 -0.183 0.000 2.332 518 V HA -0.309 3.828 4.120 0.029 0.000 0.248 518 V C 2.204 178.259 176.094 -0.064 0.000 1.055 518 V CA 2.008 64.241 62.300 -0.112 0.000 1.038 518 V CB -0.904 30.885 31.823 -0.057 0.000 0.651 518 V HN 0.546 nan 8.190 nan 0.000 0.450 519 N N 0.188 118.844 118.700 -0.074 0.000 2.166 519 N HA -0.185 4.572 4.740 0.029 0.000 0.186 519 N C 1.900 177.357 175.510 -0.089 0.000 1.019 519 N CA 1.348 54.361 53.050 -0.062 0.000 0.856 519 N CB -0.382 38.065 38.487 -0.068 0.000 0.993 519 N HN 0.613 nan 8.380 nan 0.000 0.426 520 Q N 0.309 120.009 119.800 -0.165 0.000 2.124 520 Q HA 0.012 4.369 4.340 0.029 0.000 0.202 520 Q C 2.100 178.062 176.000 -0.063 0.000 0.977 520 Q CA 0.808 56.488 55.803 -0.205 0.000 0.850 520 Q CB -0.076 28.325 28.738 -0.562 0.000 0.901 520 Q HN 0.415 nan 8.270 nan 0.000 0.429 521 I N 0.505 121.025 120.570 -0.083 0.000 2.226 521 I HA -0.278 3.909 4.170 0.029 0.000 0.245 521 I C 2.182 178.296 176.117 -0.006 0.000 1.100 521 I CA 1.090 62.424 61.300 0.057 0.000 1.374 521 I CB -0.205 37.804 38.000 0.015 0.000 1.057 521 I HN 0.204 nan 8.210 nan 0.000 0.413 522 I N 0.448 121.002 120.570 -0.026 0.000 2.286 522 I HA -0.252 3.935 4.170 0.029 0.000 0.248 522 I C 2.456 178.544 176.117 -0.048 0.000 1.115 522 I CA 1.159 62.434 61.300 -0.042 0.000 1.392 522 I CB -0.367 37.661 38.000 0.047 0.000 1.065 522 I HN 0.228 nan 8.210 nan 0.000 0.418 523 E N 0.446 120.633 120.200 -0.021 0.000 2.153 523 E HA -0.202 4.165 4.350 0.029 0.000 0.194 523 E C 2.156 178.763 176.600 0.012 0.000 0.988 523 E CA 0.928 57.325 56.400 -0.006 0.000 0.811 523 E CB -0.185 29.515 29.700 -0.000 0.000 0.746 523 E HN 0.509 nan 8.360 nan 0.000 0.466 524 Q N 0.312 120.124 119.800 0.019 0.000 2.062 524 Q HA 0.017 4.374 4.340 0.029 0.000 0.196 524 Q C 2.614 178.570 176.000 -0.073 0.000 0.967 524 Q CA 0.511 56.309 55.803 -0.008 0.000 0.832 524 Q CB -0.436 28.309 28.738 0.012 0.000 0.899 524 Q HN 0.310 nan 8.270 nan 0.000 0.442 525 L N 0.444 121.572 121.223 -0.158 0.000 1.978 525 L HA -0.255 4.102 4.340 0.029 0.000 0.218 525 L C 2.485 179.249 176.870 -0.176 0.000 1.075 525 L CA 1.331 55.983 54.840 -0.312 0.000 0.767 525 L CB -0.713 40.879 42.059 -0.778 0.000 0.890 525 L HN 0.198 nan 8.230 nan 0.000 0.434 526 I N -0.287 120.242 120.570 -0.070 0.000 2.236 526 I HA -0.361 3.826 4.170 0.029 0.000 0.249 526 I C 2.506 178.698 176.117 0.125 0.000 1.102 526 I CA 1.592 62.995 61.300 0.171 0.000 1.365 526 I CB -0.364 37.781 38.000 0.242 0.000 1.051 526 I HN 0.301 nan 8.210 nan 0.000 0.420 527 K N 0.361 120.795 120.400 0.057 0.000 2.217 527 K HA -0.041 4.297 4.320 0.029 0.000 0.202 527 K C 0.695 177.313 176.600 0.031 0.000 1.051 527 K CA 0.515 56.831 56.287 0.048 0.000 0.952 527 K CB 0.065 32.580 32.500 0.024 0.000 0.736 527 K HN 0.158 nan 8.250 nan 0.000 0.453 528 K N 1.192 121.597 120.400 0.008 0.000 2.180 528 K HA 0.018 4.355 4.320 0.029 0.000 0.251 528 K C 0.830 177.453 176.600 0.038 0.000 1.014 528 K CA 0.408 56.697 56.287 0.004 0.000 0.913 528 K CB 0.681 33.164 32.500 -0.027 0.000 1.008 528 K HN 0.101 nan 8.250 nan 0.000 0.490 529 E N 0.793 121.014 120.200 0.035 0.000 2.216 529 E HA 0.006 4.373 4.350 0.029 0.000 0.192 529 E C -0.318 176.316 176.600 0.057 0.000 0.973 529 E CA 0.778 57.207 56.400 0.048 0.000 0.851 529 E CB 0.470 30.192 29.700 0.037 0.000 0.804 529 E HN 0.289 nan 8.360 nan 0.000 0.477 530 K N 0.585 121.014 120.400 0.049 0.000 2.565 530 K HA 0.396 4.733 4.320 0.029 0.000 0.251 530 K C -1.635 175.000 176.600 0.060 0.000 0.956 530 K CA -0.387 55.938 56.287 0.064 0.000 0.809 530 K CB 3.017 35.550 32.500 0.055 0.000 1.267 530 K HN -0.206 nan 8.250 nan 0.000 0.438 531 V N 3.028 122.994 119.914 0.088 0.000 2.569 531 V HA 0.307 4.444 4.120 0.029 0.000 0.301 531 V C -1.548 174.641 176.094 0.159 0.000 1.044 531 V CA -0.948 61.396 62.300 0.073 0.000 0.874 531 V CB 1.508 33.336 31.823 0.008 0.000 1.002 531 V HN 0.696 nan 8.190 nan 0.000 0.424 532 Y N 5.602 125.907 120.300 0.009 0.000 2.328 532 Y HA 0.766 5.333 4.550 0.028 0.000 0.337 532 Y C -1.014 174.893 175.900 0.012 0.000 0.966 532 Y CA -1.313 56.800 58.100 0.021 0.000 1.136 532 Y CB 1.718 40.187 38.460 0.016 0.000 1.170 532 Y HN 0.610 nan 8.280 nan 0.000 0.470 533 L N 6.165 127.112 121.223 -0.460 0.000 2.287 533 L HA 0.861 5.219 4.340 0.029 0.000 0.287 533 L C -0.887 175.635 176.870 -0.580 0.000 1.022 533 L CA -0.384 54.234 54.840 -0.370 0.000 0.814 533 L CB 0.934 42.907 42.059 -0.144 0.000 1.217 533 L HN 0.758 nan 8.230 nan 0.000 0.420 534 A N 4.433 127.010 122.820 -0.405 0.000 2.365 534 A HA 0.650 4.987 4.320 0.029 0.000 0.318 534 A C -1.925 175.640 177.584 -0.033 0.000 1.091 534 A CA -0.535 51.346 52.037 -0.260 0.000 0.763 534 A CB 0.777 19.645 19.000 -0.218 0.000 1.248 534 A HN 0.777 nan 8.150 nan 0.000 0.442 535 W N 2.743 123.970 121.300 -0.122 0.000 2.606 535 W HA 0.610 5.287 4.660 0.028 0.000 0.332 535 W C -0.885 175.608 176.519 -0.044 0.000 1.052 535 W CA -0.405 56.896 57.345 -0.073 0.000 1.223 535 W CB 1.858 31.282 29.460 -0.060 0.000 1.383 535 W HN 0.882 nan 8.180 nan 0.000 0.524 536 V N 3.625 122.809 119.914 -1.217 0.000 2.925 536 V HA 0.695 4.832 4.120 0.029 0.000 0.311 536 V C -2.577 172.512 176.094 -1.674 0.000 1.104 536 V CA -2.866 58.744 62.300 -1.150 0.000 0.954 536 V CB 1.651 33.176 31.823 -0.498 0.000 1.022 536 V HN 0.529 nan 8.190 nan 0.000 0.427 537 P HA 0.319 nan 4.420 nan 0.000 0.271 537 P C -0.166 176.908 177.300 -0.378 0.000 1.218 537 P CA 0.367 63.077 63.100 -0.650 0.000 0.780 537 P CB 1.037 32.611 31.700 -0.210 0.000 0.901 538 A N 2.951 125.621 122.820 -0.250 0.000 2.304 538 A HA 0.330 4.667 4.320 0.029 0.000 0.271 538 A C 0.304 177.728 177.584 -0.266 0.000 1.091 538 A CA -0.252 51.571 52.037 -0.357 0.000 0.812 538 A CB -0.535 18.157 19.000 -0.513 0.000 1.056 538 A HN 0.801 nan 8.150 nan 0.000 0.489 539 H N -0.338 118.718 119.070 -0.024 0.000 2.889 539 H HA -0.090 4.483 4.556 0.029 0.000 0.324 539 H C -0.153 175.164 175.328 -0.018 0.000 1.274 539 H CA 1.198 57.238 56.048 -0.013 0.000 1.176 539 H CB -1.662 28.101 29.762 0.001 0.000 1.479 539 H HN 0.681 nan 8.280 nan 0.000 0.438 540 K N -0.558 119.858 120.400 0.027 0.000 2.149 540 K HA 0.558 4.895 4.320 0.029 0.000 0.241 540 K C 1.618 178.220 176.600 0.003 0.000 1.083 540 K CA -0.296 55.997 56.287 0.010 0.000 0.885 540 K CB 0.234 32.716 32.500 -0.030 0.000 1.374 540 K HN 0.132 nan 8.250 nan 0.000 0.511 541 G N 0.593 109.391 108.800 -0.003 0.000 3.210 541 G HA2 0.158 4.135 3.960 0.029 0.000 0.220 541 G HA3 0.158 4.135 3.960 0.029 0.000 0.220 541 G C 0.197 175.090 174.900 -0.012 0.000 1.200 541 G CA -0.073 45.023 45.100 -0.005 0.000 0.834 541 G HN 0.293 nan 8.290 nan 0.000 0.524 542 I N 1.733 122.293 120.570 -0.017 0.000 2.379 542 I HA 0.379 4.566 4.170 0.029 0.000 0.290 542 I C 1.091 177.202 176.117 -0.010 0.000 1.063 542 I CA -0.405 60.889 61.300 -0.010 0.000 1.351 542 I CB 1.091 39.074 38.000 -0.029 0.000 1.410 542 I HN 0.038 nan 8.210 nan 0.000 0.505 543 G N 0.000 108.780 108.800 -0.033 0.000 5.446 543 G HA2 0.000 3.977 3.960 0.029 0.000 0.244 543 G HA3 0.000 3.977 3.960 0.029 0.000 0.244 543 G CA 0.000 45.049 45.100 -0.085 0.000 0.502 543 G HN 0.000 nan 8.290 nan 0.000 0.925