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 2pzi_1_A DATA FIRST_RESID 69 DATA SEQUENCE GSHMLGGGLV EIPRAPDIDP LEALMTNPVV PESKRFCWNC GRPVGRSXXX DATA SEQUENCE XXXGASEGWC PYCGSPYSFL PQLNPGDIVA GQYEVKGCIA HGGLGWIYLA DATA SEQUENCE LDRNVNGRPV VLKGLVHSGD AEAQAMAMAE RQFLAEVVHP SIVQIFNFVE DATA SEQUENCE HTDRHGDPVG YIVMEYVGGQ SLKXXXXQKL PVAEAIAYLL EILPALSYLH DATA SEQUENCE SIGLVYNDLK PENIMLTEEQ LKLIDLGAVS RINSFGYLYG TPGFQAPEIV DATA SEQUENCE RTGPTVATDI YTVGRTLAAL TLDLPTRNGR YVDGLPEDDP VLKTYDSYGR DATA SEQUENCE LLRRAIDPDP RQRFTTAEEM SAQLTGVLRE VVAQDTGVPR PGLSTIFSPS DATA SEQUENCE RSTFGVDLLV AHTDVYLDGQ VHAEKLTANE IVTALSVPLV DPTDVAASVL DATA SEQUENCE QATVLSQPVQ TLDSLRAARH GXXXXXXXDF SESVELPLME VRALLDLGDV DATA SEQUENCE AKATRKLDDL AERVGWRWRL VWYRAVAELL TGDYDSATKH FTEVLDTFPG DATA SEQUENCE ELAPKLALAA TAELAGNTDE HKFYQTVWST NDGVISAAFG LARARSAEGD DATA SEQUENCE RVGAVRTLDE VPPTSRHFTT ARLTSAVTLL XXXXXXXVTE EQIRDAARRV DATA SEQUENCE EALPPTEPRV LQIRALVLGG ALDWLKDNKA STNHILGFPF TSHGLRLGVE DATA SEQUENCE ASLRSLARVA PTQRHRYTLV DMANKVRP 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 69 G HA2 0.000 nan 3.960 nan 0.000 0.244 69 G HA3 0.000 3.966 3.960 0.010 0.000 0.244 69 G C 0.000 174.846 174.900 -0.090 0.000 0.946 69 G CA 0.000 45.060 45.100 -0.067 0.000 0.502 70 S N -0.697 114.956 115.700 -0.077 0.000 2.537 70 S HA 0.567 5.043 4.470 0.010 0.000 0.301 70 S C -0.526 174.021 174.600 -0.088 0.000 1.092 70 S CA -0.536 57.628 58.200 -0.060 0.000 1.048 70 S CB 0.993 64.191 63.200 -0.004 0.000 1.053 70 S HN 0.566 nan 8.310 nan 0.000 0.501 71 H N 1.644 120.719 119.070 0.009 0.000 2.964 71 H HA 0.115 4.677 4.556 0.009 0.000 0.328 71 H C 0.079 175.405 175.328 -0.004 0.000 1.030 71 H CA 0.411 56.466 56.048 0.011 0.000 1.445 71 H CB 0.237 30.021 29.762 0.038 0.000 1.449 71 H HN 0.218 nan 8.280 nan 0.000 0.581 72 M N 5.212 124.870 119.600 0.095 0.000 2.628 72 M HA 0.188 4.674 4.480 0.010 0.000 0.327 72 M C -0.890 175.429 176.300 0.031 0.000 1.223 72 M CA -0.001 55.322 55.300 0.039 0.000 1.221 72 M CB -0.437 32.170 32.600 0.011 0.000 1.202 72 M HN 0.436 nan 8.290 nan 0.000 0.473 73 L N 0.310 121.541 121.223 0.015 0.000 2.387 73 L HA 0.704 5.050 4.340 0.010 0.000 0.266 73 L C 1.352 178.191 176.870 -0.053 0.000 1.059 73 L CA -0.492 54.337 54.840 -0.019 0.000 0.801 73 L CB 1.032 43.056 42.059 -0.058 0.000 1.223 73 L HN 0.879 nan 8.230 nan 0.000 0.456 74 G N 0.686 109.450 108.800 -0.059 0.000 2.273 74 G HA2 -0.103 3.864 3.960 0.010 0.000 0.280 74 G HA3 -0.103 3.864 3.960 0.010 0.000 0.280 74 G C 0.829 175.700 174.900 -0.048 0.000 1.047 74 G CA 0.573 45.634 45.100 -0.066 0.000 0.869 74 G HN 1.464 nan 8.290 nan 0.000 0.502 75 G N -1.248 107.533 108.800 -0.032 0.000 2.273 75 G HA2 0.302 4.268 3.960 0.010 0.000 0.280 75 G HA3 0.302 4.268 3.960 0.010 0.000 0.280 75 G C 1.964 176.847 174.900 -0.027 0.000 1.047 75 G CA 0.901 45.986 45.100 -0.025 0.000 0.869 75 G HN 2.673 nan 8.290 nan 0.000 0.502 76 G N -1.940 106.844 108.800 -0.027 0.000 2.136 76 G HA2 -0.235 3.731 3.960 0.010 0.000 0.242 76 G HA3 -0.235 3.731 3.960 0.010 0.000 0.242 76 G C 1.033 175.911 174.900 -0.038 0.000 0.989 76 G CA 0.820 45.904 45.100 -0.027 0.000 0.682 76 G HN 1.298 nan 8.290 nan 0.000 0.522 77 L N -0.864 120.329 121.223 -0.051 0.000 2.446 77 L HA 0.306 4.652 4.340 0.010 0.000 0.219 77 L C 0.689 177.515 176.870 -0.073 0.000 1.116 77 L CA 0.534 55.337 54.840 -0.061 0.000 0.844 77 L CB 0.433 42.449 42.059 -0.070 0.000 0.970 77 L HN 0.152 nan 8.230 nan 0.000 0.457 78 V N 0.092 119.959 119.914 -0.079 0.000 2.447 78 V HA 0.253 4.379 4.120 0.010 0.000 0.292 78 V C -0.489 175.568 176.094 -0.062 0.000 1.021 78 V CA -0.752 61.489 62.300 -0.097 0.000 0.850 78 V CB 1.766 33.489 31.823 -0.165 0.000 1.005 78 V HN 0.070 nan 8.190 nan 0.000 0.426 79 E N 5.107 125.282 120.200 -0.040 0.000 2.156 79 E HA 0.549 4.905 4.350 0.010 0.000 0.279 79 E C -1.173 175.436 176.600 0.015 0.000 0.965 79 E CA -0.636 55.763 56.400 -0.002 0.000 0.789 79 E CB 2.073 31.770 29.700 -0.004 0.000 1.098 79 E HN 0.374 nan 8.360 nan 0.000 0.397 80 I N 4.632 125.248 120.570 0.076 0.000 2.466 80 I HA 0.293 4.469 4.170 0.010 0.000 0.289 80 I C -2.449 173.780 176.117 0.186 0.000 1.026 80 I CA -3.085 58.285 61.300 0.117 0.000 1.078 80 I CB 1.363 39.440 38.000 0.127 0.000 1.249 80 I HN 0.176 nan 8.210 nan 0.000 0.429 81 P HA 0.252 nan 4.420 nan 0.000 0.271 81 P C -0.379 177.009 177.300 0.147 0.000 1.216 81 P CA -0.351 62.807 63.100 0.096 0.000 0.771 81 P CB 0.479 32.214 31.700 0.059 0.000 0.864 82 R N 1.990 122.521 120.500 0.052 0.000 2.491 82 R HA 0.534 4.880 4.340 0.010 0.000 0.283 82 R C 0.103 176.437 176.300 0.056 0.000 1.072 82 R CA -0.171 55.945 56.100 0.026 0.000 1.048 82 R CB 0.544 30.740 30.300 -0.174 0.000 0.983 82 R HN 0.486 nan 8.270 nan 0.000 0.450 83 A N 4.574 127.450 122.820 0.094 0.000 2.350 83 A HA 0.458 4.784 4.320 0.010 0.000 0.324 83 A C -1.946 175.668 177.584 0.050 0.000 1.118 83 A CA -1.762 50.311 52.037 0.059 0.000 0.783 83 A CB 1.260 20.295 19.000 0.059 0.000 1.236 83 A HN 0.494 nan 8.150 nan 0.000 0.457 84 P HA 0.003 nan 4.420 nan 0.000 0.216 84 P C -0.609 176.715 177.300 0.040 0.000 1.150 84 P CA 1.512 64.630 63.100 0.030 0.000 0.837 84 P CB 0.043 31.758 31.700 0.026 0.000 0.786 85 D N -3.478 116.949 120.400 0.044 0.000 10.645 85 D HA -0.039 4.608 4.640 0.010 0.000 0.291 85 D C -0.732 175.614 176.300 0.077 0.000 3.063 85 D CA -0.102 53.929 54.000 0.052 0.000 2.875 85 D CB -0.907 39.927 40.800 0.056 0.000 1.157 85 D HN -0.070 nan 8.370 nan 0.000 0.901 86 I N 1.597 122.225 120.570 0.097 0.000 2.471 86 I HA 0.150 4.326 4.170 0.010 0.000 0.286 86 I C 0.901 177.147 176.117 0.215 0.000 1.079 86 I CA -0.147 61.233 61.300 0.133 0.000 1.398 86 I CB 0.621 38.697 38.000 0.126 0.000 1.403 86 I HN 0.272 nan 8.210 nan 0.000 0.530 87 D N 8.112 128.585 120.400 0.121 0.000 2.382 87 D HA 0.123 4.769 4.640 0.010 0.000 0.245 87 D C -1.544 174.742 176.300 -0.022 0.000 1.120 87 D CA -1.314 52.721 54.000 0.057 0.000 0.890 87 D CB 1.243 42.053 40.800 0.017 0.000 1.201 87 D HN 0.194 nan 8.370 nan 0.000 0.433 88 P HA -0.259 nan 4.420 nan 0.000 0.218 88 P C 1.582 178.784 177.300 -0.162 0.000 1.165 88 P CA 0.811 63.653 63.100 -0.430 0.000 0.922 88 P CB -0.008 31.413 31.700 -0.466 0.000 0.794 89 L N -0.103 121.058 121.223 -0.103 0.000 2.013 89 L HA -0.231 4.116 4.340 0.010 0.000 0.212 89 L C 1.906 178.763 176.870 -0.020 0.000 1.073 89 L CA 2.355 57.163 54.840 -0.053 0.000 0.753 89 L CB -1.355 40.679 42.059 -0.041 0.000 0.890 89 L HN -0.032 nan 8.230 nan 0.000 0.432 90 E N -0.052 120.146 120.200 -0.003 0.000 2.150 90 E HA -0.075 4.282 4.350 0.010 0.000 0.193 90 E C 2.168 178.793 176.600 0.042 0.000 0.985 90 E CA 1.249 57.662 56.400 0.021 0.000 0.814 90 E CB -0.252 29.467 29.700 0.031 0.000 0.752 90 E HN 0.603 nan 8.360 nan 0.000 0.466 91 A N 0.424 123.280 122.820 0.061 0.000 2.015 91 A HA -0.050 4.276 4.320 0.010 0.000 0.219 91 A C 0.943 178.571 177.584 0.074 0.000 1.163 91 A CA 0.367 52.466 52.037 0.103 0.000 0.646 91 A CB -0.453 18.674 19.000 0.210 0.000 0.806 91 A HN 0.162 nan 8.150 nan 0.000 0.448 92 L N 0.685 121.929 121.223 0.035 0.000 2.499 92 L HA 0.090 4.436 4.340 0.010 0.000 0.273 92 L C 0.120 177.004 176.870 0.024 0.000 1.195 92 L CA 0.008 54.862 54.840 0.024 0.000 0.882 92 L CB 0.551 42.608 42.059 -0.003 0.000 1.133 92 L HN 0.404 nan 8.230 nan 0.000 0.483 93 M N 2.451 122.063 119.600 0.021 0.000 2.146 93 M HA 0.121 4.607 4.480 0.010 0.000 0.357 93 M C 1.274 177.559 176.300 -0.024 0.000 1.261 93 M CA -0.299 55.008 55.300 0.013 0.000 1.106 93 M CB 1.504 34.125 32.600 0.035 0.000 1.612 93 M HN 0.634 nan 8.290 nan 0.000 0.470 94 T N 0.956 115.501 114.554 -0.015 0.000 2.652 94 T HA -0.122 4.235 4.350 0.010 0.000 0.267 94 T C 0.797 175.470 174.700 -0.045 0.000 1.039 94 T CA 1.489 63.574 62.100 -0.025 0.000 1.153 94 T CB -0.136 68.725 68.868 -0.011 0.000 0.863 94 T HN 0.588 nan 8.240 nan 0.000 0.428 95 N N 1.576 120.249 118.700 -0.044 0.000 2.727 95 N HA 0.251 4.997 4.740 0.010 0.000 0.252 95 N C -3.053 172.410 175.510 -0.079 0.000 1.283 95 N CA -1.880 51.134 53.050 -0.059 0.000 0.782 95 N CB 0.975 39.446 38.487 -0.027 0.000 1.199 95 N HN 0.068 nan 8.380 nan 0.000 0.520 96 P HA 0.118 nan 4.420 nan 0.000 0.270 96 P C -0.809 176.354 177.300 -0.227 0.000 1.242 96 P CA -0.024 62.837 63.100 -0.398 0.000 0.768 96 P CB 1.173 32.255 31.700 -1.031 0.000 0.820 97 V N 4.753 124.770 119.914 0.171 0.000 2.891 97 V HA 0.197 4.324 4.120 0.010 0.000 0.304 97 V C -0.762 175.507 176.094 0.291 0.000 1.171 97 V CA -0.824 61.624 62.300 0.248 0.000 0.943 97 V CB 2.900 34.778 31.823 0.093 0.000 1.037 97 V HN 0.191 nan 8.190 nan 0.000 0.427 98 V N 8.681 128.701 119.914 0.177 0.000 2.385 98 V HA 0.414 4.540 4.120 0.010 0.000 0.269 98 V C -1.938 174.051 176.094 -0.176 0.000 1.043 98 V CA -1.363 60.841 62.300 -0.160 0.000 0.906 98 V CB 1.300 32.814 31.823 -0.515 0.000 0.995 98 V HN 0.810 nan 8.190 nan 0.000 0.467 99 P HA 0.170 nan 4.420 nan 0.000 0.271 99 P C 0.888 178.060 177.300 -0.213 0.000 1.218 99 P CA -0.162 62.863 63.100 -0.125 0.000 0.780 99 P CB 1.170 32.823 31.700 -0.078 0.000 0.901 100 E N 1.091 121.184 120.200 -0.177 0.000 2.108 100 E HA -0.205 4.151 4.350 0.010 0.000 0.203 100 E C 1.902 178.335 176.600 -0.279 0.000 1.022 100 E CA 2.181 58.450 56.400 -0.219 0.000 0.823 100 E CB -0.423 29.197 29.700 -0.134 0.000 0.744 100 E HN 0.480 nan 8.360 nan 0.000 0.456 101 S N 0.725 116.312 115.700 -0.188 0.000 2.428 101 S HA -0.169 4.307 4.470 0.010 0.000 0.240 101 S C 1.462 175.953 174.600 -0.181 0.000 1.036 101 S CA 1.227 59.337 58.200 -0.150 0.000 1.009 101 S CB -0.102 63.060 63.200 -0.063 0.000 0.803 101 S HN 0.180 nan 8.310 nan 0.000 0.486 102 K N 0.486 120.747 120.400 -0.232 0.000 2.387 102 K HA 0.207 4.533 4.320 0.010 0.000 0.203 102 K C -0.143 176.253 176.600 -0.340 0.000 1.030 102 K CA -0.063 56.155 56.287 -0.115 0.000 1.099 102 K CB 0.470 32.922 32.500 -0.079 0.000 0.863 102 K HN 0.312 nan 8.250 nan 0.000 0.529 103 R N 0.885 120.946 120.500 -0.731 0.000 2.242 103 R HA 0.300 4.646 4.340 0.010 0.000 0.334 103 R C -0.748 175.076 176.300 -0.793 0.000 1.071 103 R CA 0.092 55.667 56.100 -0.875 0.000 0.922 103 R CB 0.123 29.875 30.300 -0.912 0.000 1.023 103 R HN -0.159 nan 8.270 nan 0.000 0.458 104 F N 0.695 120.677 119.950 0.054 0.000 2.588 104 F HA 0.245 4.777 4.527 0.008 0.000 0.310 104 F C 0.160 176.022 175.800 0.103 0.000 1.082 104 F CA -1.099 56.927 58.000 0.044 0.000 0.929 104 F CB 1.204 40.207 39.000 0.004 0.000 1.254 104 F HN 0.409 nan 8.300 nan 0.000 0.455 105 C N 5.070 124.451 119.300 0.135 0.000 2.629 105 C HA 0.072 4.538 4.460 0.010 0.000 0.410 105 C C 1.712 176.675 174.990 -0.045 0.000 1.339 105 C CA -0.704 58.279 59.018 -0.058 0.000 1.810 105 C CB -0.623 27.005 27.740 -0.186 0.000 2.549 105 C HN 1.011 nan 8.230 nan 0.000 0.589 106 W N 5.445 126.756 121.300 0.018 0.000 2.392 106 W HA -0.081 4.585 4.660 0.009 0.000 0.279 106 W C 1.475 177.963 176.519 -0.052 0.000 1.225 106 W CA 1.203 58.538 57.345 -0.017 0.000 1.233 106 W CB -0.935 28.460 29.460 -0.109 0.000 1.122 106 W HN 0.801 nan 8.180 nan 0.000 0.561 107 N N 1.476 119.630 118.700 -0.910 0.000 2.349 107 N HA -0.116 4.630 4.740 0.010 0.000 0.180 107 N C 1.936 177.256 175.510 -0.318 0.000 1.024 107 N CA 2.699 55.249 53.050 -0.833 0.000 0.869 107 N CB -0.716 36.881 38.487 -1.483 0.000 1.022 107 N HN 0.215 nan 8.380 nan 0.000 0.433 108 C N -2.286 116.855 119.300 -0.264 0.000 3.230 108 C HA 0.684 5.151 4.460 0.010 0.000 0.300 108 C C 1.596 176.525 174.990 -0.103 0.000 1.292 108 C CA 0.359 59.307 59.018 -0.116 0.000 1.707 108 C CB -0.134 27.587 27.740 -0.031 0.000 2.181 108 C HN 0.492 nan 8.230 nan 0.000 0.655 109 G N 1.248 109.998 108.800 -0.084 0.000 2.199 109 G HA2 -0.218 3.749 3.960 0.010 0.000 0.254 109 G HA3 -0.218 3.749 3.960 0.010 0.000 0.254 109 G C 0.197 175.109 174.900 0.019 0.000 0.982 109 G CA 0.231 45.304 45.100 -0.044 0.000 0.632 109 G HN 0.728 nan 8.290 nan 0.000 0.529 110 R N 1.075 121.568 120.500 -0.012 0.000 2.582 110 R HA 0.433 4.779 4.340 0.010 0.000 0.271 110 R C -2.339 174.055 176.300 0.156 0.000 1.078 110 R CA -1.605 54.507 56.100 0.019 0.000 1.127 110 R CB 0.249 30.438 30.300 -0.185 0.000 1.038 110 R HN 0.085 nan 8.270 nan 0.000 0.500 111 P HA -0.056 nan 4.420 nan 0.000 0.264 111 P C -0.951 176.244 177.300 -0.175 0.000 1.183 111 P CA 0.343 63.342 63.100 -0.169 0.000 0.763 111 P CB 0.636 32.253 31.700 -0.138 0.000 0.807 112 V N 2.717 122.465 119.914 -0.276 0.000 3.049 112 V HA 0.669 4.795 4.120 0.010 0.000 0.309 112 V C 0.388 176.331 176.094 -0.252 0.000 1.148 112 V CA 0.096 62.231 62.300 -0.275 0.000 0.990 112 V CB 1.902 33.470 31.823 -0.426 0.000 1.039 112 V HN 0.787 nan 8.190 nan 0.000 0.430 113 G N 4.125 112.850 108.800 -0.124 0.000 2.371 113 G HA2 -0.179 3.787 3.960 0.010 0.000 0.299 113 G HA3 -0.179 3.787 3.960 0.010 0.000 0.299 113 G C -0.052 174.857 174.900 0.015 0.000 1.014 113 G CA 0.427 45.586 45.100 0.100 0.000 1.097 113 G HN 0.574 nan 8.290 nan 0.000 0.512 114 R N -0.222 120.266 120.500 -0.019 0.000 2.778 114 R HA 0.717 5.064 4.340 0.010 0.000 0.277 114 R C 0.680 176.976 176.300 -0.007 0.000 0.977 114 R CA -0.104 55.966 56.100 -0.050 0.000 0.950 114 R CB 1.516 31.758 30.300 -0.095 0.000 1.165 114 R HN 0.582 nan 8.270 nan 0.000 0.474 123 A N 1.369 124.294 122.820 0.174 0.000 2.306 123 A HA 0.841 5.168 4.320 0.010 0.000 0.330 123 A C 1.179 178.963 177.584 0.334 0.000 1.146 123 A CA -0.040 52.124 52.037 0.212 0.000 0.827 123 A CB 1.392 20.508 19.000 0.192 0.000 1.178 123 A HN 0.971 nan 8.150 nan 0.000 0.490 124 S N 0.125 115.992 115.700 0.279 0.000 2.501 124 S HA 0.121 4.597 4.470 0.010 0.000 0.220 124 S C 0.288 175.075 174.600 0.312 0.000 0.997 124 S CA 0.505 58.940 58.200 0.392 0.000 0.919 124 S CB -0.036 63.325 63.200 0.268 0.000 0.778 124 S HN 0.747 nan 8.310 nan 0.000 0.523 125 E N -0.787 119.419 120.200 0.009 0.000 2.343 125 E HA 0.601 4.957 4.350 0.010 0.000 0.278 125 E C -0.182 176.029 176.600 -0.648 0.000 0.910 125 E CA -0.635 55.493 56.400 -0.453 0.000 0.757 125 E CB 2.371 31.925 29.700 -0.244 0.000 1.218 125 E HN 0.235 nan 8.360 nan 0.000 0.435 126 G N 1.211 109.277 108.800 -1.223 0.000 2.399 126 G HA2 0.189 4.155 3.960 0.010 0.000 0.256 126 G HA3 0.189 4.155 3.960 0.010 0.000 0.256 126 G C -1.898 172.504 174.900 -0.830 0.000 1.236 126 G CA -0.804 43.888 45.100 -0.680 0.000 0.914 126 G HN 0.318 nan 8.290 nan 0.000 0.482 127 W N -0.456 120.828 121.300 -0.027 0.000 2.761 127 W HA 0.510 5.177 4.660 0.012 0.000 0.340 127 W C 0.025 176.746 176.519 0.337 0.000 1.072 127 W CA -1.134 56.301 57.345 0.149 0.000 1.215 127 W CB 1.924 31.427 29.460 0.071 0.000 1.420 127 W HN 0.663 nan 8.180 nan 0.000 0.519 128 C N 6.088 125.666 119.300 0.464 0.000 2.629 128 C HA 0.107 4.574 4.460 0.010 0.000 0.410 128 C C -0.118 175.015 174.990 0.238 0.000 1.339 128 C CA -1.368 57.812 59.018 0.269 0.000 1.810 128 C CB -0.106 27.701 27.740 0.111 0.000 2.549 128 C HN 0.380 nan 8.230 nan 0.000 0.589 129 P HA -0.130 nan 4.420 nan 0.000 0.223 129 P C 0.950 178.332 177.300 0.137 0.000 1.151 129 P CA 1.482 64.676 63.100 0.157 0.000 0.787 129 P CB -0.018 31.768 31.700 0.143 0.000 0.788 130 Y N 1.048 121.365 120.300 0.028 0.000 2.231 130 Y HA -0.070 4.487 4.550 0.011 0.000 0.294 130 Y C 2.495 178.391 175.900 -0.006 0.000 1.120 130 Y CA 1.838 59.940 58.100 0.004 0.000 1.141 130 Y CB -0.292 38.160 38.460 -0.013 0.000 1.022 130 Y HN 0.103 nan 8.280 nan 0.000 0.523 131 C N -2.722 116.638 119.300 0.100 0.000 3.403 131 C HA 0.697 5.163 4.460 0.010 0.000 0.317 131 C C 1.780 176.783 174.990 0.021 0.000 1.346 131 C CA 0.207 59.231 59.018 0.011 0.000 1.743 131 C CB 0.390 28.143 27.740 0.021 0.000 2.308 131 C HN 0.780 nan 8.230 nan 0.000 0.675 132 G N 1.380 110.233 108.800 0.088 0.000 2.175 132 G HA2 -0.190 3.776 3.960 0.010 0.000 0.244 132 G HA3 -0.190 3.776 3.960 0.010 0.000 0.244 132 G C 0.056 175.131 174.900 0.292 0.000 0.982 132 G CA 0.302 45.499 45.100 0.161 0.000 0.641 132 G HN 0.682 nan 8.290 nan 0.000 0.527 133 S N 3.149 118.943 115.700 0.158 0.000 2.531 133 S HA 0.485 4.961 4.470 0.010 0.000 0.279 133 S C -1.649 173.080 174.600 0.215 0.000 1.305 133 S CA -0.481 57.800 58.200 0.137 0.000 1.058 133 S CB 1.469 64.488 63.200 -0.301 0.000 0.899 133 S HN 0.388 nan 8.310 nan 0.000 0.493 134 P HA 0.165 nan 4.420 nan 0.000 0.271 134 P C -1.182 176.141 177.300 0.037 0.000 1.216 134 P CA -0.163 62.743 63.100 -0.323 0.000 0.776 134 P CB 0.144 31.651 31.700 -0.322 0.000 0.881 135 Y N -0.884 119.265 120.300 -0.253 0.000 2.512 135 Y HA 0.777 5.333 4.550 0.010 0.000 0.348 135 Y C -0.920 174.773 175.900 -0.345 0.000 0.990 135 Y CA -1.310 56.669 58.100 -0.202 0.000 1.033 135 Y CB 1.503 39.816 38.460 -0.245 0.000 1.259 135 Y HN 0.349 nan 8.280 nan 0.000 0.461 136 S N 2.376 117.915 115.700 -0.268 0.000 2.575 136 S HA 0.553 5.029 4.470 0.010 0.000 0.278 136 S C -1.305 173.191 174.600 -0.173 0.000 1.139 136 S CA -0.588 57.475 58.200 -0.227 0.000 0.954 136 S CB 0.383 63.531 63.200 -0.086 0.000 1.054 136 S HN 0.624 nan 8.310 nan 0.000 0.483 137 F N 3.150 123.296 119.950 0.326 0.000 2.639 137 F HA 0.461 4.996 4.527 0.013 0.000 0.302 137 F C 0.224 176.346 175.800 0.537 0.000 1.097 137 F CA -0.166 58.053 58.000 0.366 0.000 1.294 137 F CB 0.283 39.430 39.000 0.246 0.000 1.027 137 F HN 0.292 nan 8.300 nan 0.000 0.550 138 L N 1.559 123.099 121.223 0.527 0.000 2.309 138 L HA 0.441 4.788 4.340 0.010 0.000 0.282 138 L C -2.259 174.865 176.870 0.424 0.000 1.036 138 L CA -2.153 52.927 54.840 0.401 0.000 0.806 138 L CB 1.079 43.270 42.059 0.220 0.000 1.220 138 L HN -0.245 nan 8.230 nan 0.000 0.429 139 P HA -0.007 nan 4.420 nan 0.000 0.266 139 P C -0.159 177.297 177.300 0.260 0.000 1.195 139 P CA -0.093 63.128 63.100 0.202 0.000 0.768 139 P CB 0.593 32.232 31.700 -0.102 0.000 0.838 140 Q N 1.343 121.358 119.800 0.359 0.000 2.391 140 Q HA 0.194 4.540 4.340 0.010 0.000 0.211 140 Q C 0.357 176.340 176.000 -0.028 0.000 0.908 140 Q CA 0.711 56.627 55.803 0.189 0.000 0.920 140 Q CB 0.236 29.150 28.738 0.293 0.000 1.056 140 Q HN 0.486 nan 8.270 nan 0.000 0.523 141 L N 1.042 122.072 121.223 -0.322 0.000 2.346 141 L HA 0.407 4.753 4.340 0.010 0.000 0.274 141 L C -0.646 176.071 176.870 -0.256 0.000 1.007 141 L CA -0.684 53.863 54.840 -0.488 0.000 0.818 141 L CB 1.901 43.334 42.059 -1.043 0.000 1.284 141 L HN -0.089 nan 8.230 nan 0.000 0.424 142 N N 1.549 120.144 118.700 -0.174 0.000 2.292 142 N HA 0.488 5.235 4.740 0.010 0.000 0.303 142 N C -2.764 172.692 175.510 -0.089 0.000 1.140 142 N CA -1.535 51.459 53.050 -0.094 0.000 0.788 142 N CB 1.658 40.108 38.487 -0.063 0.000 1.361 142 N HN 0.300 nan 8.380 nan 0.000 0.489 143 P HA 0.065 nan 4.420 nan 0.000 0.264 143 P C 0.708 177.976 177.300 -0.053 0.000 1.193 143 P CA 0.892 63.960 63.100 -0.053 0.000 0.763 143 P CB 0.500 32.173 31.700 -0.044 0.000 0.810 144 G N 2.252 111.019 108.800 -0.054 0.000 2.284 144 G HA2 -0.174 3.792 3.960 0.010 0.000 0.216 144 G HA3 -0.174 3.792 3.960 0.010 0.000 0.216 144 G C 0.069 174.936 174.900 -0.055 0.000 1.009 144 G CA -0.378 44.693 45.100 -0.048 0.000 0.625 144 G HN 0.486 nan 8.290 nan 0.000 0.501 145 D N 0.527 120.879 120.400 -0.080 0.000 2.378 145 D HA 0.506 5.153 4.640 0.010 0.000 0.238 145 D C 0.615 176.856 176.300 -0.098 0.000 1.180 145 D CA 0.539 54.480 54.000 -0.098 0.000 0.895 145 D CB 0.796 41.489 40.800 -0.179 0.000 1.192 145 D HN 0.374 nan 8.370 nan 0.000 0.438 146 I N 1.290 121.814 120.570 -0.077 0.000 2.439 146 I HA 0.137 4.313 4.170 0.010 0.000 0.283 146 I C -0.496 175.586 176.117 -0.058 0.000 1.023 146 I CA -0.843 60.420 61.300 -0.062 0.000 1.100 146 I CB 1.853 39.832 38.000 -0.035 0.000 1.238 146 I HN -0.080 nan 8.210 nan 0.000 0.445 147 V N 5.770 125.634 119.914 -0.083 0.000 2.546 147 V HA 0.397 4.524 4.120 0.010 0.000 0.284 147 V C 1.126 177.288 176.094 0.114 0.000 1.050 147 V CA -0.044 62.227 62.300 -0.048 0.000 0.981 147 V CB 1.239 32.952 31.823 -0.183 0.000 0.990 147 V HN 1.027 nan 8.190 nan 0.000 0.474 148 A N 4.051 126.965 122.820 0.157 0.000 2.799 148 A HA -0.103 4.223 4.320 0.010 0.000 0.287 148 A C 1.726 179.330 177.584 0.033 0.000 1.484 148 A CA 1.346 53.462 52.037 0.132 0.000 0.813 148 A CB -1.779 17.343 19.000 0.203 0.000 1.009 148 A HN 2.674 nan 8.150 nan 0.000 0.545 149 G N -1.846 106.962 108.800 0.012 0.000 2.296 149 G HA2 -0.321 3.645 3.960 0.010 0.000 0.282 149 G HA3 -0.321 3.645 3.960 0.010 0.000 0.282 149 G C 0.509 175.336 174.900 -0.122 0.000 1.014 149 G CA 1.652 46.728 45.100 -0.040 0.000 0.812 149 G HN 1.848 nan 8.290 nan 0.000 0.508 150 Q N -2.240 117.433 119.800 -0.211 0.000 2.286 150 Q HA 0.228 4.574 4.340 0.010 0.000 0.243 150 Q C -0.405 175.246 176.000 -0.581 0.000 0.752 150 Q CA -0.197 55.326 55.803 -0.468 0.000 0.950 150 Q CB 0.861 29.162 28.738 -0.730 0.000 1.253 150 Q HN 0.446 nan 8.270 nan 0.000 0.492 151 Y N 2.149 122.411 120.300 -0.063 0.000 2.356 151 Y HA 0.377 4.934 4.550 0.010 0.000 0.334 151 Y C -0.872 174.966 175.900 -0.104 0.000 0.958 151 Y CA -0.790 57.261 58.100 -0.082 0.000 1.196 151 Y CB 1.353 39.755 38.460 -0.097 0.000 1.137 151 Y HN -0.011 nan 8.280 nan 0.000 0.485 152 E N 3.155 123.376 120.200 0.035 0.000 2.081 152 E HA 0.374 4.731 4.350 0.010 0.000 0.281 152 E C -0.846 175.741 176.600 -0.022 0.000 0.986 152 E CA -0.674 55.715 56.400 -0.018 0.000 0.796 152 E CB 1.507 31.187 29.700 -0.032 0.000 1.085 152 E HN 0.289 nan 8.360 nan 0.000 0.398 153 V N 4.358 124.237 119.914 -0.059 0.000 2.530 153 V HA 0.043 4.169 4.120 0.010 0.000 0.282 153 V C 0.992 177.057 176.094 -0.049 0.000 1.048 153 V CA -0.182 62.074 62.300 -0.073 0.000 0.997 153 V CB 1.157 32.886 31.823 -0.158 0.000 0.987 153 V HN 0.663 nan 8.190 nan 0.000 0.477 154 K N 2.589 122.974 120.400 -0.025 0.000 2.399 154 K HA 0.449 4.775 4.320 0.010 0.000 0.196 154 K C 0.701 177.293 176.600 -0.013 0.000 1.117 154 K CA 0.877 57.149 56.287 -0.024 0.000 0.965 154 K CB 1.323 33.806 32.500 -0.027 0.000 0.983 154 K HN 0.930 nan 8.250 nan 0.000 0.531 155 G N 0.339 109.152 108.800 0.021 0.000 2.356 155 G HA2 0.035 4.001 3.960 0.010 0.000 0.266 155 G HA3 0.035 4.001 3.960 0.010 0.000 0.266 155 G C -1.442 173.515 174.900 0.095 0.000 1.312 155 G CA -0.781 44.340 45.100 0.035 0.000 0.922 155 G HN 0.049 nan 8.290 nan 0.000 0.480 156 C N 0.611 119.923 119.300 0.020 0.000 2.355 156 C HA 0.685 5.151 4.460 0.010 0.000 0.332 156 C C 1.812 176.849 174.990 0.079 0.000 1.255 156 C CA 0.074 59.105 59.018 0.021 0.000 1.792 156 C CB -0.002 27.659 27.740 -0.132 0.000 2.300 156 C HN 0.778 nan 8.230 nan 0.000 0.515 157 I N -0.353 120.292 120.570 0.124 0.000 4.227 157 I HA 0.616 4.792 4.170 0.010 0.000 0.334 157 I C 0.489 176.704 176.117 0.163 0.000 1.341 157 I CA 0.152 61.537 61.300 0.142 0.000 1.123 157 I CB -0.036 38.066 38.000 0.169 0.000 1.097 157 I HN 0.623 nan 8.210 nan 0.000 0.399 158 A N 0.394 123.345 122.820 0.218 0.000 2.490 158 A HA 0.591 4.917 4.320 0.010 0.000 0.292 158 A C -1.843 175.835 177.584 0.156 0.000 1.047 158 A CA -0.492 51.648 52.037 0.172 0.000 0.632 158 A CB 0.820 19.853 19.000 0.055 0.000 1.323 158 A HN 0.406 nan 8.150 nan 0.000 0.448 159 H N -0.510 118.451 119.070 -0.181 0.000 2.961 159 H HA 0.726 5.289 4.556 0.011 0.000 0.371 159 H C -0.233 174.933 175.328 -0.270 0.000 1.190 159 H CA 0.371 56.136 56.048 -0.471 0.000 1.138 159 H CB 2.095 31.252 29.762 -1.008 0.000 1.816 159 H HN 1.604 nan 8.280 nan 0.000 0.551 160 G N 0.317 108.692 108.800 -0.709 0.000 2.753 160 G HA2 0.293 4.260 3.960 0.010 0.000 0.303 160 G HA3 0.293 4.260 3.960 0.010 0.000 0.303 160 G C 0.622 175.302 174.900 -0.367 0.000 1.242 160 G CA -0.066 44.827 45.100 -0.346 0.000 0.810 160 G HN 0.648 nan 8.290 nan 0.000 0.515 161 G N -0.465 108.274 108.800 -0.102 0.000 2.442 161 G HA2 -0.075 3.891 3.960 0.010 0.000 0.219 161 G HA3 -0.075 3.891 3.960 0.010 0.000 0.219 161 G C 1.422 176.337 174.900 0.024 0.000 1.141 161 G CA 0.866 46.009 45.100 0.072 0.000 0.763 161 G HN 0.372 nan 8.290 nan 0.000 0.554 162 L N 0.522 121.606 121.223 -0.231 0.000 2.629 162 L HA 0.388 4.734 4.340 0.010 0.000 0.230 162 L C 1.389 178.028 176.870 -0.385 0.000 1.151 162 L CA 0.368 54.915 54.840 -0.487 0.000 0.924 162 L CB -0.090 41.659 42.059 -0.518 0.000 1.137 162 L HN 0.499 nan 8.230 nan 0.000 0.457 163 G N -1.480 107.063 108.800 -0.429 0.000 2.428 163 G HA2 -0.235 3.732 3.960 0.010 0.000 0.202 163 G HA3 -0.235 3.732 3.960 0.010 0.000 0.202 163 G C -1.082 173.469 174.900 -0.582 0.000 1.247 163 G CA -0.756 44.070 45.100 -0.456 0.000 1.020 163 G HN 0.065 nan 8.290 nan 0.000 0.529 164 W N 0.161 121.343 121.300 -0.197 0.000 2.170 164 W HA 0.590 5.253 4.660 0.006 0.000 0.336 164 W C 0.685 176.784 176.519 -0.700 0.000 1.283 164 W CA -0.420 56.715 57.345 -0.351 0.000 1.224 164 W CB 0.507 29.754 29.460 -0.355 0.000 1.132 164 W HN 0.304 nan 8.180 nan 0.000 0.571 165 I N 3.527 123.933 120.570 -0.274 0.000 2.354 165 I HA 0.211 4.388 4.170 0.010 0.000 0.292 165 I C -0.770 175.160 176.117 -0.311 0.000 0.989 165 I CA -1.774 59.360 61.300 -0.276 0.000 1.188 165 I CB 0.005 37.956 38.000 -0.082 0.000 1.342 165 I HN 0.301 nan 8.210 nan 0.000 0.457 166 Y N 5.414 125.764 120.300 0.083 0.000 2.360 166 Y HA 0.493 5.050 4.550 0.012 0.000 0.337 166 Y C 0.040 175.946 175.900 0.009 0.000 1.039 166 Y CA -1.032 57.083 58.100 0.025 0.000 1.109 166 Y CB 1.641 40.066 38.460 -0.059 0.000 1.201 166 Y HN 0.396 nan 8.280 nan 0.000 0.458 167 L N 3.210 124.524 121.223 0.153 0.000 2.276 167 L HA 0.812 5.158 4.340 0.010 0.000 0.286 167 L C -0.350 176.546 176.870 0.043 0.000 1.061 167 L CA -0.109 54.778 54.840 0.078 0.000 0.807 167 L CB 0.267 42.338 42.059 0.019 0.000 1.177 167 L HN 0.781 nan 8.230 nan 0.000 0.429 168 A N 4.615 127.454 122.820 0.033 0.000 2.479 168 A HA 0.791 5.118 4.320 0.010 0.000 0.296 168 A C -1.713 175.902 177.584 0.051 0.000 1.121 168 A CA -0.653 51.404 52.037 0.034 0.000 0.743 168 A CB 1.240 20.271 19.000 0.051 0.000 1.323 168 A HN 0.514 nan 8.150 nan 0.000 0.415 169 L N 1.521 122.770 121.223 0.043 0.000 2.282 169 L HA 0.375 4.721 4.340 0.010 0.000 0.288 169 L C -0.290 176.616 176.870 0.060 0.000 1.033 169 L CA -0.165 54.692 54.840 0.029 0.000 0.807 169 L CB 1.284 43.334 42.059 -0.014 0.000 1.209 169 L HN 0.700 nan 8.230 nan 0.000 0.423 170 D N 2.763 123.204 120.400 0.068 0.000 2.336 170 D HA 0.112 4.758 4.640 0.010 0.000 0.249 170 D C 1.174 177.417 176.300 -0.094 0.000 1.213 170 D CA 0.020 54.035 54.000 0.024 0.000 0.870 170 D CB 0.805 41.646 40.800 0.069 0.000 1.076 170 D HN 0.386 nan 8.370 nan 0.000 0.483 171 R N 2.529 122.924 120.500 -0.175 0.000 2.148 171 R HA -0.052 4.294 4.340 0.010 0.000 0.227 171 R C 0.919 177.137 176.300 -0.137 0.000 1.103 171 R CA 0.831 56.842 56.100 -0.148 0.000 0.983 171 R CB 0.166 30.367 30.300 -0.165 0.000 0.874 171 R HN 0.345 nan 8.270 nan 0.000 0.451 172 N N -0.647 117.952 118.700 -0.168 0.000 2.398 172 N HA 0.016 4.762 4.740 0.010 0.000 0.188 172 N C -0.594 174.852 175.510 -0.106 0.000 1.122 172 N CA 0.495 53.467 53.050 -0.131 0.000 0.866 172 N CB 1.118 39.521 38.487 -0.140 0.000 0.970 172 N HN -0.070 nan 8.380 nan 0.000 0.462 173 V N 1.256 121.106 119.914 -0.107 0.000 2.637 173 V HA 0.185 4.312 4.120 0.010 0.000 0.296 173 V C -0.236 175.809 176.094 -0.081 0.000 1.118 173 V CA -0.702 61.537 62.300 -0.101 0.000 1.230 173 V CB -0.097 31.639 31.823 -0.145 0.000 1.360 173 V HN 0.190 nan 8.190 nan 0.000 0.620 174 N N 1.491 120.150 118.700 -0.068 0.000 2.725 174 N HA -0.216 4.530 4.740 0.010 0.000 0.249 174 N C 1.203 176.682 175.510 -0.050 0.000 1.103 174 N CA 1.278 54.296 53.050 -0.054 0.000 0.707 174 N CB -1.067 37.392 38.487 -0.046 0.000 1.043 174 N HN 1.387 nan 8.380 nan 0.000 0.553 175 G N 0.283 109.051 108.800 -0.055 0.000 2.249 175 G HA2 -0.402 3.564 3.960 0.010 0.000 0.273 175 G HA3 -0.402 3.564 3.960 0.010 0.000 0.273 175 G C 0.317 175.197 174.900 -0.033 0.000 1.036 175 G CA 0.772 45.846 45.100 -0.043 0.000 0.824 175 G HN 0.984 nan 8.290 nan 0.000 0.504 176 R N 0.051 120.528 120.500 -0.037 0.000 2.640 176 R HA 0.387 4.733 4.340 0.010 0.000 0.270 176 R C -2.168 174.135 176.300 0.006 0.000 1.024 176 R CA -0.786 55.299 56.100 -0.024 0.000 1.085 176 R CB 0.061 30.331 30.300 -0.050 0.000 0.963 176 R HN 0.213 nan 8.270 nan 0.000 0.426 177 P HA -0.013 nan 4.420 nan 0.000 0.271 177 P C -0.394 176.976 177.300 0.117 0.000 1.220 177 P CA -0.254 62.845 63.100 -0.002 0.000 0.768 177 P CB 1.227 32.842 31.700 -0.142 0.000 0.848 178 V N 1.753 121.747 119.914 0.133 0.000 3.126 178 V HA 0.689 4.815 4.120 0.010 0.000 0.314 178 V C -0.734 175.436 176.094 0.126 0.000 1.138 178 V CA -1.050 61.368 62.300 0.196 0.000 1.034 178 V CB 2.230 34.182 31.823 0.216 0.000 1.075 178 V HN 0.209 nan 8.190 nan 0.000 0.442 179 V N 2.398 122.368 119.914 0.093 0.000 2.555 179 V HA 0.615 4.742 4.120 0.010 0.000 0.302 179 V C -0.651 175.425 176.094 -0.030 0.000 1.038 179 V CA -0.415 61.919 62.300 0.058 0.000 0.887 179 V CB 1.455 33.326 31.823 0.079 0.000 0.991 179 V HN 0.780 nan 8.190 nan 0.000 0.434 180 L N 4.912 126.144 121.223 0.015 0.000 2.329 180 L HA 0.676 5.023 4.340 0.010 0.000 0.279 180 L C -0.262 176.726 176.870 0.195 0.000 1.014 180 L CA 0.016 54.869 54.840 0.023 0.000 0.814 180 L CB 1.674 43.666 42.059 -0.111 0.000 1.257 180 L HN 0.596 nan 8.230 nan 0.000 0.424 181 K N 1.195 121.714 120.400 0.198 0.000 2.498 181 K HA 0.683 5.009 4.320 0.010 0.000 0.254 181 K C -0.236 176.488 176.600 0.206 0.000 0.933 181 K CA -0.755 55.650 56.287 0.198 0.000 0.806 181 K CB 1.824 34.321 32.500 -0.004 0.000 1.301 181 K HN 0.681 nan 8.250 nan 0.000 0.432 182 G N 2.697 111.563 108.800 0.110 0.000 2.484 182 G HA2 0.117 4.083 3.960 0.010 0.000 0.235 182 G HA3 0.117 4.083 3.960 0.010 0.000 0.235 182 G C 0.627 175.367 174.900 -0.266 0.000 1.282 182 G CA -0.333 44.623 45.100 -0.241 0.000 0.857 182 G HN 0.609 nan 8.290 nan 0.000 0.571 183 L N 1.058 122.100 121.223 -0.301 0.000 2.145 183 L HA 0.164 4.510 4.340 0.010 0.000 0.201 183 L C 1.157 177.833 176.870 -0.323 0.000 1.075 183 L CA 0.549 55.242 54.840 -0.245 0.000 0.773 183 L CB -0.344 41.626 42.059 -0.148 0.000 0.936 183 L HN 0.494 nan 8.230 nan 0.000 0.451 184 V N -5.339 114.368 119.914 -0.345 0.000 3.126 184 V HA 0.320 4.446 4.120 0.010 0.000 0.314 184 V C 0.554 176.357 176.094 -0.484 0.000 1.138 184 V CA -0.707 61.367 62.300 -0.376 0.000 1.034 184 V CB 1.543 33.229 31.823 -0.229 0.000 1.075 184 V HN 0.085 nan 8.190 nan 0.000 0.442 185 H N 0.854 119.666 119.070 -0.430 0.000 2.448 185 H HA 0.375 4.937 4.556 0.010 0.000 0.292 185 H C 1.017 176.199 175.328 -0.244 0.000 1.035 185 H CA 1.315 57.066 56.048 -0.495 0.000 1.349 185 H CB 0.399 29.594 29.762 -0.945 0.000 1.425 185 H HN 0.962 nan 8.280 nan 0.000 0.539 186 S N -1.121 114.552 115.700 -0.045 0.000 2.588 186 S HA 0.709 5.185 4.470 0.010 0.000 0.269 186 S C -0.421 174.165 174.600 -0.023 0.000 1.157 186 S CA -0.339 57.855 58.200 -0.010 0.000 0.824 186 S CB 2.445 65.691 63.200 0.077 0.000 1.126 186 S HN 0.463 nan 8.310 nan 0.000 0.464 187 G N 1.122 109.917 108.800 -0.007 0.000 2.386 187 G HA2 0.398 4.365 3.960 0.010 0.000 0.302 187 G HA3 0.398 4.365 3.960 0.010 0.000 0.302 187 G C -1.440 173.465 174.900 0.008 0.000 1.629 187 G CA -0.409 44.694 45.100 0.005 0.000 0.917 187 G HN 0.988 nan 8.290 nan 0.000 0.676 188 D N 0.756 121.171 120.400 0.025 0.000 2.352 188 D HA 0.335 4.981 4.640 0.010 0.000 0.238 188 D C 1.750 178.060 176.300 0.017 0.000 1.286 188 D CA 0.180 54.194 54.000 0.024 0.000 0.923 188 D CB 0.928 41.747 40.800 0.032 0.000 1.146 188 D HN 0.806 nan 8.370 nan 0.000 0.471 189 A N -0.011 122.820 122.820 0.018 0.000 1.986 189 A HA -0.261 4.065 4.320 0.010 0.000 0.220 189 A C 2.102 179.698 177.584 0.019 0.000 1.171 189 A CA 2.019 54.066 52.037 0.017 0.000 0.640 189 A CB -0.775 18.236 19.000 0.019 0.000 0.811 189 A HN 0.783 nan 8.150 nan 0.000 0.451 190 E N -0.528 119.687 120.200 0.024 0.000 2.033 190 E HA 0.009 4.365 4.350 0.010 0.000 0.189 190 E C 2.247 178.867 176.600 0.033 0.000 0.979 190 E CA 0.720 57.137 56.400 0.029 0.000 0.802 190 E CB -0.234 29.486 29.700 0.033 0.000 0.763 190 E HN 0.527 nan 8.360 nan 0.000 0.449 191 A N 0.687 123.530 122.820 0.038 0.000 1.986 191 A HA -0.287 4.039 4.320 0.010 0.000 0.220 191 A C 2.073 179.664 177.584 0.012 0.000 1.171 191 A CA 1.896 53.958 52.037 0.042 0.000 0.640 191 A CB -0.541 18.483 19.000 0.040 0.000 0.811 191 A HN 0.238 nan 8.150 nan 0.000 0.451 192 Q N -0.747 119.052 119.800 -0.002 0.000 2.049 192 Q HA 0.110 4.456 4.340 0.010 0.000 0.198 192 Q C 2.234 178.227 176.000 -0.011 0.000 0.971 192 Q CA 1.870 57.659 55.803 -0.023 0.000 0.833 192 Q CB -0.537 28.186 28.738 -0.025 0.000 0.896 192 Q HN 0.575 nan 8.270 nan 0.000 0.434 193 A N -0.193 122.630 122.820 0.005 0.000 1.933 193 A HA -0.179 4.147 4.320 0.010 0.000 0.218 193 A C 2.036 179.620 177.584 0.000 0.000 1.175 193 A CA 1.712 53.754 52.037 0.008 0.000 0.628 193 A CB -0.567 18.443 19.000 0.018 0.000 0.814 193 A HN 0.496 nan 8.150 nan 0.000 0.444 194 M N 0.220 119.828 119.600 0.014 0.000 2.099 194 M HA 0.002 4.488 4.480 0.010 0.000 0.262 194 M C 2.174 178.484 176.300 0.017 0.000 1.067 194 M CA 1.814 57.130 55.300 0.027 0.000 1.124 194 M CB -0.572 32.063 32.600 0.058 0.000 1.353 194 M HN 0.355 nan 8.290 nan 0.000 0.410 195 A N -0.082 122.744 122.820 0.010 0.000 1.948 195 A HA -0.240 4.087 4.320 0.010 0.000 0.220 195 A C 2.226 179.753 177.584 -0.094 0.000 1.177 195 A CA 2.342 54.371 52.037 -0.014 0.000 0.636 195 A CB -0.782 18.194 19.000 -0.039 0.000 0.815 195 A HN 0.656 nan 8.150 nan 0.000 0.449 196 M N -1.125 118.407 119.600 -0.113 0.000 2.123 196 M HA -0.053 4.434 4.480 0.010 0.000 0.263 196 M C 2.586 178.682 176.300 -0.340 0.000 1.069 196 M CA 1.263 56.413 55.300 -0.251 0.000 1.133 196 M CB -0.315 32.233 32.600 -0.086 0.000 1.356 196 M HN 0.469 nan 8.290 nan 0.000 0.415 197 A N 0.180 122.911 122.820 -0.149 0.000 1.883 197 A HA -0.218 4.108 4.320 0.010 0.000 0.217 197 A C 1.878 179.423 177.584 -0.065 0.000 1.186 197 A CA 1.959 53.941 52.037 -0.092 0.000 0.624 197 A CB -0.816 18.170 19.000 -0.023 0.000 0.822 197 A HN 0.540 nan 8.150 nan 0.000 0.444 198 E N -1.290 118.896 120.200 -0.024 0.000 2.338 198 E HA -0.077 4.280 4.350 0.010 0.000 0.197 198 E C 1.955 178.652 176.600 0.162 0.000 1.007 198 E CA 0.570 57.021 56.400 0.084 0.000 0.849 198 E CB -0.004 29.767 29.700 0.117 0.000 0.774 198 E HN 0.497 nan 8.360 nan 0.000 0.506 199 R N -0.484 119.934 120.500 -0.136 0.000 2.365 199 R HA 0.048 4.394 4.340 0.010 0.000 0.223 199 R C 1.768 177.661 176.300 -0.678 0.000 0.899 199 R CA -0.029 55.847 56.100 -0.374 0.000 1.059 199 R CB 0.326 30.388 30.300 -0.396 0.000 1.086 199 R HN -0.026 nan 8.270 nan 0.000 0.522 200 Q N 0.379 119.852 119.800 -0.545 0.000 2.197 200 Q HA -0.199 4.147 4.340 0.010 0.000 0.207 200 Q C 1.453 177.416 176.000 -0.063 0.000 0.984 200 Q CA 1.831 57.414 55.803 -0.368 0.000 0.869 200 Q CB -0.252 28.390 28.738 -0.159 0.000 0.906 200 Q HN 0.475 nan 8.270 nan 0.000 0.426 201 F N -1.641 118.304 119.950 -0.009 0.000 2.373 201 F HA -0.108 4.426 4.527 0.011 0.000 0.300 201 F C 1.196 177.056 175.800 0.101 0.000 1.080 201 F CA 0.720 58.750 58.000 0.051 0.000 1.417 201 F CB -0.516 38.504 39.000 0.033 0.000 1.070 201 F HN 0.018 nan 8.300 nan 0.000 0.546 202 L N 0.607 121.456 121.223 -0.623 0.000 2.275 202 L HA -0.011 4.336 4.340 0.010 0.000 0.215 202 L C 2.651 179.504 176.870 -0.028 0.000 1.119 202 L CA 0.768 55.376 54.840 -0.385 0.000 0.790 202 L CB -0.731 41.110 42.059 -0.363 0.000 0.919 202 L HN 0.376 nan 8.230 nan 0.000 0.443 203 A N -0.827 122.038 122.820 0.075 0.000 2.235 203 A HA -0.091 4.236 4.320 0.010 0.000 0.208 203 A C 1.743 179.397 177.584 0.116 0.000 1.172 203 A CA 0.822 52.924 52.037 0.108 0.000 0.786 203 A CB -0.221 18.880 19.000 0.167 0.000 0.804 203 A HN 0.363 nan 8.150 nan 0.000 0.479 204 E N -1.171 119.110 120.200 0.135 0.000 2.526 204 E HA 0.194 4.550 4.350 0.010 0.000 0.208 204 E C -0.643 176.074 176.600 0.194 0.000 0.997 204 E CA -0.096 56.399 56.400 0.159 0.000 0.961 204 E CB 0.883 30.686 29.700 0.172 0.000 1.030 204 E HN 0.210 nan 8.360 nan 0.000 0.483 205 V N 1.787 121.815 119.914 0.190 0.000 2.389 205 V HA 0.180 4.306 4.120 0.010 0.000 0.264 205 V C -0.475 175.746 176.094 0.211 0.000 1.049 205 V CA -0.316 62.143 62.300 0.265 0.000 0.932 205 V CB 1.166 33.137 31.823 0.248 0.000 1.011 205 V HN -0.084 nan 8.190 nan 0.000 0.475 206 V N 6.487 126.533 119.914 0.220 0.000 2.483 206 V HA 0.659 4.785 4.120 0.010 0.000 0.297 206 V C -0.936 175.070 176.094 -0.147 0.000 1.027 206 V CA -0.159 62.172 62.300 0.050 0.000 0.855 206 V CB 1.570 33.418 31.823 0.041 0.000 0.995 206 V HN 0.958 nan 8.190 nan 0.000 0.424 207 H N 6.181 125.102 119.070 -0.249 0.000 3.085 207 H HA 0.409 4.971 4.556 0.010 0.000 0.356 207 H C -2.644 172.574 175.328 -0.183 0.000 1.178 207 H CA -1.012 54.821 56.048 -0.359 0.000 1.214 207 H CB 3.076 32.549 29.762 -0.481 0.000 1.881 207 H HN 0.373 nan 8.280 nan 0.000 0.538 208 P HA -0.030 nan 4.420 nan 0.000 0.221 208 P C 0.586 177.856 177.300 -0.050 0.000 1.145 208 P CA 1.007 63.964 63.100 -0.238 0.000 0.795 208 P CB 0.399 31.911 31.700 -0.313 0.000 0.775 209 S N -1.050 114.757 115.700 0.178 0.000 2.582 209 S HA 0.272 4.748 4.470 0.010 0.000 0.234 209 S C 0.494 175.135 174.600 0.069 0.000 0.961 209 S CA -0.096 58.189 58.200 0.142 0.000 0.953 209 S CB -0.310 62.993 63.200 0.171 0.000 0.800 209 S HN 0.051 nan 8.310 nan 0.000 0.471 210 I N 0.746 121.358 120.570 0.070 0.000 2.533 210 I HA 0.300 4.476 4.170 0.010 0.000 0.290 210 I C -0.104 176.001 176.117 -0.019 0.000 1.056 210 I CA -0.815 60.497 61.300 0.019 0.000 1.057 210 I CB 2.025 40.060 38.000 0.059 0.000 1.240 210 I HN -0.127 nan 8.210 nan 0.000 0.423 211 V N 6.715 126.598 119.914 -0.052 0.000 2.814 211 V HA -0.044 4.083 4.120 0.010 0.000 0.307 211 V C 0.194 176.193 176.094 -0.157 0.000 1.089 211 V CA 0.518 62.750 62.300 -0.113 0.000 1.212 211 V CB 0.912 32.657 31.823 -0.130 0.000 0.912 211 V HN 0.747 nan 8.190 nan 0.000 0.497 212 Q N 5.336 124.981 119.800 -0.258 0.000 2.261 212 Q HA 0.428 4.775 4.340 0.010 0.000 0.252 212 Q C -0.669 174.951 176.000 -0.633 0.000 0.915 212 Q CA -0.529 55.056 55.803 -0.363 0.000 0.915 212 Q CB 1.457 29.981 28.738 -0.356 0.000 1.204 212 Q HN 0.588 nan 8.270 nan 0.000 0.421 213 I N 2.945 123.253 120.570 -0.436 0.000 2.331 213 I HA 0.090 4.266 4.170 0.010 0.000 0.292 213 I C 0.091 176.033 176.117 -0.291 0.000 0.998 213 I CA -0.047 60.993 61.300 -0.433 0.000 1.267 213 I CB 0.475 38.315 38.000 -0.267 0.000 1.386 213 I HN 0.699 nan 8.210 nan 0.000 0.476 214 F N 3.186 123.047 119.950 -0.148 0.000 2.622 214 F HA 0.251 4.784 4.527 0.010 0.000 0.288 214 F C 0.971 176.730 175.800 -0.069 0.000 1.120 214 F CA -0.034 57.922 58.000 -0.073 0.000 1.423 214 F CB 0.041 39.022 39.000 -0.032 0.000 1.127 214 F HN 0.476 nan 8.300 nan 0.000 0.588 215 N N -1.615 117.051 118.700 -0.057 0.000 3.533 215 N HA 0.233 4.979 4.740 0.010 0.000 0.229 215 N C -2.086 173.180 175.510 -0.406 0.000 1.418 215 N CA -0.606 52.418 53.050 -0.044 0.000 0.880 215 N CB 0.688 39.260 38.487 0.141 0.000 1.415 215 N HN -0.209 nan 8.380 nan 0.000 0.491 216 F N 0.283 120.273 119.950 0.066 0.000 2.540 216 F HA 0.722 5.256 4.527 0.011 0.000 0.317 216 F C -0.151 175.702 175.800 0.089 0.000 1.104 216 F CA -0.657 57.371 58.000 0.046 0.000 0.913 216 F CB 2.039 41.051 39.000 0.020 0.000 1.170 216 F HN 0.063 nan 8.300 nan 0.000 0.450 217 V N 2.219 122.287 119.914 0.256 0.000 2.888 217 V HA 0.386 4.513 4.120 0.010 0.000 0.309 217 V C -1.161 175.087 176.094 0.255 0.000 1.114 217 V CA -0.727 61.715 62.300 0.236 0.000 0.940 217 V CB 2.425 34.373 31.823 0.207 0.000 1.021 217 V HN 0.787 nan 8.190 nan 0.000 0.426 218 E N 2.427 122.765 120.200 0.230 0.000 2.171 218 E HA 0.558 4.914 4.350 0.010 0.000 0.271 218 E C -1.626 175.142 176.600 0.281 0.000 0.916 218 E CA -0.638 55.892 56.400 0.217 0.000 0.774 218 E CB 1.338 31.120 29.700 0.137 0.000 1.128 218 E HN 0.777 nan 8.360 nan 0.000 0.403 219 H N 1.683 120.872 119.070 0.199 0.000 2.609 219 H HA 0.326 4.888 4.556 0.011 0.000 0.344 219 H C -1.240 174.162 175.328 0.123 0.000 1.040 219 H CA -0.471 55.677 56.048 0.167 0.000 1.216 219 H CB 1.478 31.375 29.762 0.224 0.000 1.529 219 H HN 0.330 nan 8.280 nan 0.000 0.519 220 T N 6.031 120.378 114.554 -0.345 0.000 2.752 220 T HA 0.102 4.459 4.350 0.010 0.000 0.295 220 T C 0.220 174.639 174.700 -0.469 0.000 0.923 220 T CA -0.464 61.466 62.100 -0.284 0.000 1.112 220 T CB -0.074 68.694 68.868 -0.166 0.000 0.884 220 T HN 0.718 nan 8.240 nan 0.000 0.525 221 D N 3.283 123.567 120.400 -0.194 0.000 2.348 221 D HA 0.121 4.767 4.640 0.010 0.000 0.272 221 D C 1.438 177.693 176.300 -0.075 0.000 1.237 221 D CA -0.485 53.465 54.000 -0.083 0.000 1.042 221 D CB 0.593 41.442 40.800 0.081 0.000 1.117 221 D HN 0.128 nan 8.370 nan 0.000 0.548 222 R N -1.219 119.240 120.500 -0.068 0.000 2.073 222 R HA -0.064 4.283 4.340 0.010 0.000 0.229 222 R C 1.912 178.096 176.300 -0.194 0.000 1.120 222 R CA 0.971 56.971 56.100 -0.167 0.000 0.967 222 R CB -0.779 29.358 30.300 -0.272 0.000 0.862 222 R HN 0.585 nan 8.270 nan 0.000 0.436 223 H N -0.235 118.835 119.070 -0.000 0.000 2.562 223 H HA 0.058 4.620 4.556 0.010 0.000 0.272 223 H C 1.089 176.415 175.328 -0.002 0.000 1.019 223 H CA 0.920 56.971 56.048 0.006 0.000 1.160 223 H CB 0.086 29.858 29.762 0.017 0.000 1.334 223 H HN 0.474 nan 8.280 nan 0.000 0.611 224 G N 1.289 110.121 108.800 0.054 0.000 2.148 224 G HA2 -0.233 3.734 3.960 0.010 0.000 0.254 224 G HA3 -0.233 3.734 3.960 0.010 0.000 0.254 224 G C -0.304 174.611 174.900 0.026 0.000 0.981 224 G CA 0.173 45.287 45.100 0.023 0.000 0.670 224 G HN 0.354 nan 8.290 nan 0.000 0.528 225 D N 1.176 121.604 120.400 0.048 0.000 2.198 225 D HA 0.450 5.097 4.640 0.010 0.000 0.245 225 D C -2.437 173.870 176.300 0.012 0.000 1.079 225 D CA -1.336 52.687 54.000 0.037 0.000 0.854 225 D CB 1.593 42.427 40.800 0.056 0.000 1.148 225 D HN 0.035 nan 8.370 nan 0.000 0.456 226 P HA 0.056 nan 4.420 nan 0.000 0.267 226 P C -0.575 176.733 177.300 0.014 0.000 1.209 226 P CA -0.133 62.976 63.100 0.014 0.000 0.763 226 P CB 0.731 32.442 31.700 0.020 0.000 0.816 227 V N 3.854 123.789 119.914 0.036 0.000 2.604 227 V HA 0.655 4.782 4.120 0.010 0.000 0.305 227 V C 0.687 176.724 176.094 -0.095 0.000 1.043 227 V CA -0.598 61.673 62.300 -0.047 0.000 0.888 227 V CB 2.144 33.942 31.823 -0.041 0.000 0.995 227 V HN 0.655 nan 8.190 nan 0.000 0.429 228 G N 2.646 111.310 108.800 -0.226 0.000 2.348 228 G HA2 0.604 4.570 3.960 0.010 0.000 0.312 228 G HA3 0.604 4.570 3.960 0.010 0.000 0.312 228 G C -1.540 173.113 174.900 -0.411 0.000 1.126 228 G CA -0.130 44.873 45.100 -0.161 0.000 0.865 228 G HN 0.480 nan 8.290 nan 0.000 0.474 229 Y N 0.507 120.836 120.300 0.048 0.000 2.499 229 Y HA 0.500 5.056 4.550 0.010 0.000 0.347 229 Y C 0.201 176.080 175.900 -0.035 0.000 0.987 229 Y CA -0.880 57.215 58.100 -0.009 0.000 1.044 229 Y CB 2.476 40.905 38.460 -0.052 0.000 1.245 229 Y HN 0.521 nan 8.280 nan 0.000 0.461 230 I N 2.688 123.278 120.570 0.032 0.000 2.437 230 I HA 0.576 4.752 4.170 0.010 0.000 0.298 230 I C -1.293 174.664 176.117 -0.266 0.000 0.984 230 I CA -0.805 60.343 61.300 -0.254 0.000 1.214 230 I CB 0.794 38.630 38.000 -0.274 0.000 1.365 230 I HN 0.346 nan 8.210 nan 0.000 0.469 231 V N 8.277 127.944 119.914 -0.412 0.000 2.357 231 V HA 0.455 4.581 4.120 0.010 0.000 0.284 231 V C 0.045 175.966 176.094 -0.289 0.000 1.018 231 V CA -0.388 61.712 62.300 -0.334 0.000 0.841 231 V CB 1.271 32.836 31.823 -0.430 0.000 0.991 231 V HN 0.752 nan 8.190 nan 0.000 0.437 232 M N 2.306 121.763 119.600 -0.239 0.000 2.761 232 M HA 0.480 4.966 4.480 0.010 0.000 0.305 232 M C 0.058 176.172 176.300 -0.310 0.000 1.235 232 M CA -0.658 54.402 55.300 -0.399 0.000 0.850 232 M CB 2.243 34.675 32.600 -0.279 0.000 1.744 232 M HN 0.716 nan 8.290 nan 0.000 0.480 233 E N 1.056 120.891 120.200 -0.607 0.000 2.452 233 E HA -0.086 4.270 4.350 0.010 0.000 0.261 233 E C -1.513 175.111 176.600 0.040 0.000 0.987 233 E CA 0.042 56.377 56.400 -0.109 0.000 0.926 233 E CB 0.569 30.148 29.700 -0.202 0.000 0.934 233 E HN 0.496 nan 8.360 nan 0.000 0.452 234 Y N 4.478 124.816 120.300 0.065 0.000 2.465 234 Y HA 0.256 4.811 4.550 0.008 0.000 0.331 234 Y C -0.975 174.933 175.900 0.014 0.000 1.102 234 Y CA -0.269 57.849 58.100 0.030 0.000 1.358 234 Y CB 0.668 39.157 38.460 0.049 0.000 1.213 234 Y HN 0.214 nan 8.280 nan 0.000 0.525 235 V N 6.431 125.929 119.914 -0.695 0.000 2.349 235 V HA 0.341 4.467 4.120 0.010 0.000 0.284 235 V C 0.537 176.156 176.094 -0.792 0.000 1.014 235 V CA -0.343 61.634 62.300 -0.538 0.000 0.826 235 V CB 1.382 33.038 31.823 -0.279 0.000 1.009 235 V HN 1.022 nan 8.190 nan 0.000 0.431 236 G N 3.118 111.510 108.800 -0.680 0.000 3.882 236 G HA2 0.500 4.466 3.960 0.010 0.000 0.283 236 G HA3 0.500 4.466 3.960 0.010 0.000 0.283 236 G C 0.517 175.334 174.900 -0.138 0.000 1.283 236 G CA 0.357 45.226 45.100 -0.384 0.000 1.402 236 G HN 0.850 nan 8.290 nan 0.000 0.618 237 G N -0.474 108.226 108.800 -0.166 0.000 2.606 237 G HA2 0.494 4.461 3.960 0.010 0.000 0.262 237 G HA3 0.494 4.461 3.960 0.010 0.000 0.262 237 G C -0.563 174.284 174.900 -0.089 0.000 1.394 237 G CA -0.606 44.434 45.100 -0.101 0.000 1.044 237 G HN 0.394 nan 8.290 nan 0.000 0.553 238 Q N -0.208 119.535 119.800 -0.094 0.000 2.333 238 Q HA 0.483 4.829 4.340 0.010 0.000 0.268 238 Q C 0.169 176.092 176.000 -0.128 0.000 1.007 238 Q CA -0.568 55.182 55.803 -0.088 0.000 0.810 238 Q CB 1.418 30.116 28.738 -0.067 0.000 1.264 238 Q HN 0.720 nan 8.270 nan 0.000 0.452 239 S N 3.949 119.586 115.700 -0.105 0.000 2.584 239 S HA 0.151 4.627 4.470 0.010 0.000 0.270 239 S C 0.719 175.240 174.600 -0.132 0.000 1.346 239 S CA -0.421 57.707 58.200 -0.118 0.000 1.018 239 S CB 0.397 63.547 63.200 -0.082 0.000 0.899 239 S HN 0.810 nan 8.310 nan 0.000 0.542 240 L N 0.603 121.733 121.223 -0.154 0.000 2.599 240 L HA 0.154 4.501 4.340 0.010 0.000 0.230 240 L C 1.598 178.439 176.870 -0.048 0.000 1.141 240 L CA 0.098 54.849 54.840 -0.148 0.000 0.877 240 L CB -0.727 41.218 42.059 -0.190 0.000 1.009 240 L HN 0.748 nan 8.230 nan 0.000 0.447 247 K N 1.420 121.853 120.400 0.055 0.000 2.482 247 K HA 0.487 4.813 4.320 0.010 0.000 0.251 247 K C -0.852 175.777 176.600 0.049 0.000 0.936 247 K CA -0.513 55.809 56.287 0.057 0.000 0.791 247 K CB 2.555 35.087 32.500 0.055 0.000 1.213 247 K HN 0.137 nan 8.250 nan 0.000 0.428 248 L N 3.538 124.793 121.223 0.053 0.000 2.439 248 L HA 0.204 4.550 4.340 0.010 0.000 0.269 248 L C -1.885 174.986 176.870 0.000 0.000 1.179 248 L CA -1.692 53.172 54.840 0.039 0.000 0.828 248 L CB 0.098 42.197 42.059 0.066 0.000 1.106 248 L HN 0.220 nan 8.230 nan 0.000 0.467 249 P HA -0.082 nan 4.420 nan 0.000 0.267 249 P C 0.705 177.905 177.300 -0.167 0.000 1.200 249 P CA -0.164 62.897 63.100 -0.066 0.000 0.772 249 P CB 0.659 32.319 31.700 -0.067 0.000 0.855 250 V N 1.512 121.257 119.914 -0.281 0.000 2.515 250 V HA -0.198 3.928 4.120 0.010 0.000 0.250 250 V C 1.836 177.618 176.094 -0.520 0.000 1.058 250 V CA 2.087 64.076 62.300 -0.519 0.000 1.064 250 V CB -1.700 29.552 31.823 -0.952 0.000 0.675 250 V HN 0.522 nan 8.190 nan 0.000 0.461 251 A N 0.289 122.845 122.820 -0.441 0.000 1.865 251 A HA -0.259 4.067 4.320 0.010 0.000 0.217 251 A C 2.120 179.506 177.584 -0.330 0.000 1.191 251 A CA 2.198 54.025 52.037 -0.350 0.000 0.623 251 A CB -0.872 17.972 19.000 -0.260 0.000 0.826 251 A HN 0.688 nan 8.150 nan 0.000 0.444 252 E N -0.539 119.470 120.200 -0.319 0.000 2.049 252 E HA -0.213 4.143 4.350 0.010 0.000 0.198 252 E C 2.344 178.607 176.600 -0.563 0.000 1.007 252 E CA 1.281 57.410 56.400 -0.452 0.000 0.809 252 E CB -0.315 29.205 29.700 -0.301 0.000 0.749 252 E HN 0.626 nan 8.360 nan 0.000 0.450 253 A N 0.867 123.520 122.820 -0.279 0.000 1.902 253 A HA -0.174 4.152 4.320 0.010 0.000 0.217 253 A C 2.167 179.686 177.584 -0.108 0.000 1.181 253 A CA 1.124 53.106 52.037 -0.093 0.000 0.623 253 A CB -0.588 18.396 19.000 -0.026 0.000 0.818 253 A HN 0.165 nan 8.150 nan 0.000 0.443 254 I N -0.207 120.247 120.570 -0.194 0.000 2.127 254 I HA -0.326 3.850 4.170 0.010 0.000 0.241 254 I C 3.038 179.069 176.117 -0.145 0.000 1.075 254 I CA 1.111 62.322 61.300 -0.149 0.000 1.334 254 I CB -0.490 37.387 38.000 -0.204 0.000 1.040 254 I HN 0.378 nan 8.210 nan 0.000 0.405 255 A N 0.667 123.345 122.820 -0.236 0.000 1.869 255 A HA -0.287 4.040 4.320 0.010 0.000 0.218 255 A C 2.185 179.684 177.584 -0.142 0.000 1.203 255 A CA 2.033 53.930 52.037 -0.234 0.000 0.638 255 A CB -1.270 17.522 19.000 -0.348 0.000 0.831 255 A HN 0.404 nan 8.150 nan 0.000 0.450 256 Y N -0.536 119.713 120.300 -0.086 0.000 2.114 256 Y HA -0.183 4.372 4.550 0.010 0.000 0.282 256 Y C 2.268 178.120 175.900 -0.080 0.000 1.165 256 Y CA 1.404 59.451 58.100 -0.088 0.000 1.148 256 Y CB -1.122 37.286 38.460 -0.087 0.000 0.972 256 Y HN 0.212 nan 8.280 nan 0.000 0.504 257 L N -0.952 120.326 121.223 0.092 0.000 2.093 257 L HA -0.184 4.162 4.340 0.010 0.000 0.208 257 L C 2.378 179.240 176.870 -0.013 0.000 1.085 257 L CA 0.930 55.785 54.840 0.025 0.000 0.755 257 L CB -0.682 41.391 42.059 0.023 0.000 0.904 257 L HN 0.196 nan 8.230 nan 0.000 0.435 258 L N -0.577 120.632 121.223 -0.025 0.000 2.189 258 L HA -0.226 4.120 4.340 0.010 0.000 0.214 258 L C 2.468 179.324 176.870 -0.023 0.000 1.097 258 L CA 0.980 55.798 54.840 -0.036 0.000 0.764 258 L CB -0.447 41.582 42.059 -0.049 0.000 0.900 258 L HN 0.358 nan 8.230 nan 0.000 0.436 259 E N 0.025 120.222 120.200 -0.004 0.000 2.216 259 E HA -0.133 4.223 4.350 0.010 0.000 0.192 259 E C 1.935 178.527 176.600 -0.014 0.000 0.988 259 E CA 1.103 57.506 56.400 0.004 0.000 0.834 259 E CB 0.105 29.822 29.700 0.029 0.000 0.772 259 E HN 0.664 nan 8.360 nan 0.000 0.479 260 I N -2.979 117.565 120.570 -0.044 0.000 3.854 260 I HA 0.063 4.239 4.170 0.010 0.000 0.312 260 I C 1.983 178.022 176.117 -0.129 0.000 1.273 260 I CA 0.252 61.493 61.300 -0.098 0.000 1.298 260 I CB -0.389 37.525 38.000 -0.144 0.000 1.071 260 I HN -0.150 nan 8.210 nan 0.000 0.428 261 L N 1.248 122.416 121.223 -0.091 0.000 2.051 261 L HA -0.134 4.212 4.340 0.010 0.000 0.214 261 L C -0.149 176.661 176.870 -0.099 0.000 1.076 261 L CA 1.943 56.729 54.840 -0.091 0.000 0.758 261 L CB -1.834 40.187 42.059 -0.062 0.000 0.890 261 L HN 0.267 nan 8.230 nan 0.000 0.433 262 P HA -0.161 nan 4.420 nan 0.000 0.218 262 P C 1.415 178.619 177.300 -0.159 0.000 1.149 262 P CA 1.628 64.706 63.100 -0.036 0.000 0.817 262 P CB -0.018 31.711 31.700 0.048 0.000 0.785 263 A N -0.232 122.397 122.820 -0.318 0.000 1.865 263 A HA -0.188 4.138 4.320 0.010 0.000 0.217 263 A C 2.191 179.571 177.584 -0.340 0.000 1.191 263 A CA 1.601 53.285 52.037 -0.589 0.000 0.623 263 A CB -1.678 17.059 19.000 -0.439 0.000 0.826 263 A HN 0.107 nan 8.150 nan 0.000 0.444 264 L N -0.484 120.547 121.223 -0.320 0.000 2.017 264 L HA -0.187 4.159 4.340 0.010 0.000 0.208 264 L C 2.869 179.324 176.870 -0.691 0.000 1.073 264 L CA 1.553 56.121 54.840 -0.453 0.000 0.745 264 L CB -0.812 41.051 42.059 -0.326 0.000 0.894 264 L HN 0.326 nan 8.230 nan 0.000 0.432 265 S N -0.730 114.762 115.700 -0.347 0.000 2.372 265 S HA -0.288 4.189 4.470 0.010 0.000 0.227 265 S C 1.871 176.411 174.600 -0.100 0.000 1.044 265 S CA 1.923 60.027 58.200 -0.159 0.000 1.050 265 S CB -0.579 62.611 63.200 -0.016 0.000 0.901 265 S HN 0.468 nan 8.310 nan 0.000 0.447 266 Y N 2.350 122.541 120.300 -0.183 0.000 2.097 266 Y HA -0.156 4.400 4.550 0.010 0.000 0.282 266 Y C 1.930 177.791 175.900 -0.066 0.000 1.152 266 Y CA 1.380 59.424 58.100 -0.093 0.000 1.136 266 Y CB -0.704 37.688 38.460 -0.112 0.000 0.975 266 Y HN 0.136 nan 8.280 nan 0.000 0.498 267 L N -0.276 120.721 121.223 -0.377 0.000 1.990 267 L HA -0.344 4.002 4.340 0.010 0.000 0.213 267 L C 2.533 179.309 176.870 -0.157 0.000 1.072 267 L CA 2.191 56.839 54.840 -0.321 0.000 0.755 267 L CB -1.009 40.998 42.059 -0.087 0.000 0.889 267 L HN 0.430 nan 8.230 nan 0.000 0.432 268 H N -0.888 118.127 119.070 -0.092 0.000 2.387 268 H HA -0.163 4.399 4.556 0.011 0.000 0.299 268 H C 2.547 177.833 175.328 -0.071 0.000 1.099 268 H CA 1.239 57.256 56.048 -0.051 0.000 1.315 268 H CB -0.070 29.686 29.762 -0.009 0.000 1.380 268 H HN 0.459 nan 8.280 nan 0.000 0.513 269 S N 1.394 117.099 115.700 0.010 0.000 2.423 269 S HA -0.114 4.362 4.470 0.010 0.000 0.231 269 S C 1.895 176.465 174.600 -0.050 0.000 1.014 269 S CA 1.185 59.381 58.200 -0.007 0.000 0.965 269 S CB -0.620 62.584 63.200 0.007 0.000 0.785 269 S HN 0.624 nan 8.310 nan 0.000 0.495 270 I N -2.464 118.023 120.570 -0.139 0.000 3.861 270 I HA 0.570 4.747 4.170 0.010 0.000 0.329 270 I C 1.263 177.344 176.117 -0.060 0.000 1.321 270 I CA 0.073 61.306 61.300 -0.113 0.000 1.126 270 I CB -0.560 37.329 38.000 -0.186 0.000 1.018 270 I HN 0.350 nan 8.210 nan 0.000 0.407 271 G N 1.902 110.686 108.800 -0.026 0.000 2.137 271 G HA2 -0.196 3.770 3.960 0.010 0.000 0.237 271 G HA3 -0.196 3.770 3.960 0.010 0.000 0.237 271 G C -0.175 174.724 174.900 -0.000 0.000 1.002 271 G CA 0.111 45.203 45.100 -0.013 0.000 0.702 271 G HN 0.410 nan 8.290 nan 0.000 0.515 272 L N -0.310 120.936 121.223 0.039 0.000 2.330 272 L HA 0.813 5.160 4.340 0.010 0.000 0.271 272 L C 0.305 177.294 176.870 0.198 0.000 1.013 272 L CA -1.476 53.422 54.840 0.096 0.000 0.816 272 L CB 2.107 44.236 42.059 0.116 0.000 1.287 272 L HN -0.059 nan 8.230 nan 0.000 0.435 273 V N 0.480 120.510 119.914 0.193 0.000 2.628 273 V HA 0.166 4.293 4.120 0.010 0.000 0.306 273 V C 0.114 176.364 176.094 0.260 0.000 1.045 273 V CA -0.525 61.922 62.300 0.245 0.000 0.905 273 V CB 1.830 33.735 31.823 0.138 0.000 0.997 273 V HN 0.658 nan 8.190 nan 0.000 0.436 274 Y N 3.143 123.537 120.300 0.157 0.000 2.286 274 Y HA -0.084 4.472 4.550 0.010 0.000 0.293 274 Y C 1.858 177.827 175.900 0.116 0.000 1.124 274 Y CA 1.794 59.959 58.100 0.107 0.000 1.178 274 Y CB 0.168 38.667 38.460 0.066 0.000 1.010 274 Y HN 0.871 nan 8.280 nan 0.000 0.536 275 N N -0.900 117.894 118.700 0.156 0.000 2.811 275 N HA -0.271 4.476 4.740 0.010 0.000 0.211 275 N C -0.042 175.509 175.510 0.068 0.000 0.990 275 N CA 1.792 54.901 53.050 0.098 0.000 1.362 275 N CB -1.565 36.983 38.487 0.102 0.000 0.940 275 N HN 0.491 nan 8.380 nan 0.000 0.572 276 D N 0.491 120.834 120.400 -0.095 0.000 2.804 276 D HA 0.252 4.898 4.640 0.010 0.000 0.308 276 D C -0.566 175.782 176.300 0.080 0.000 1.371 276 D CA -0.426 53.545 54.000 -0.048 0.000 0.823 276 D CB -0.034 40.684 40.800 -0.137 0.000 1.126 276 D HN 0.212 nan 8.370 nan 0.000 0.467 277 L N 2.180 123.595 121.223 0.319 0.000 2.513 277 L HA 0.210 4.556 4.340 0.010 0.000 0.272 277 L C -0.047 176.778 176.870 -0.074 0.000 1.187 277 L CA 0.990 55.985 54.840 0.259 0.000 0.895 277 L CB -0.183 42.000 42.059 0.207 0.000 1.147 277 L HN 0.207 nan 8.230 nan 0.000 0.483 278 K N 2.645 122.925 120.400 -0.200 0.000 2.685 278 K HA 0.405 4.731 4.320 0.010 0.000 0.290 278 K C -2.778 173.663 176.600 -0.265 0.000 1.018 278 K CA -1.383 54.584 56.287 -0.533 0.000 0.860 278 K CB 0.393 32.189 32.500 -1.174 0.000 1.498 278 K HN 0.026 nan 8.250 nan 0.000 0.390 279 P HA -0.319 nan 4.420 nan 0.000 0.217 279 P C 1.062 178.308 177.300 -0.089 0.000 1.158 279 P CA 1.830 64.887 63.100 -0.073 0.000 0.887 279 P CB 0.134 31.848 31.700 0.022 0.000 0.792 280 E N -0.896 119.249 120.200 -0.092 0.000 2.147 280 E HA -0.256 4.100 4.350 0.010 0.000 0.199 280 E C 1.090 177.642 176.600 -0.079 0.000 1.005 280 E CA 1.285 57.640 56.400 -0.075 0.000 0.810 280 E CB -0.335 29.323 29.700 -0.071 0.000 0.736 280 E HN 0.163 nan 8.360 nan 0.000 0.460 281 N N -0.195 118.459 118.700 -0.077 0.000 2.336 281 N HA 0.133 4.879 4.740 0.010 0.000 0.189 281 N C -0.435 175.046 175.510 -0.050 0.000 1.113 281 N CA 0.379 53.412 53.050 -0.029 0.000 0.858 281 N CB 0.483 39.010 38.487 0.067 0.000 0.970 281 N HN 0.171 nan 8.380 nan 0.000 0.471 282 I N 0.511 121.022 120.570 -0.097 0.000 2.406 282 I HA 0.356 4.532 4.170 0.010 0.000 0.290 282 I C -0.450 175.567 176.117 -0.168 0.000 0.999 282 I CA -0.371 60.848 61.300 -0.136 0.000 1.124 282 I CB 1.991 39.903 38.000 -0.146 0.000 1.289 282 I HN -0.255 nan 8.210 nan 0.000 0.441 283 M N 6.441 125.936 119.600 -0.175 0.000 2.259 283 M HA 0.434 4.920 4.480 0.010 0.000 0.304 283 M C -1.572 174.600 176.300 -0.214 0.000 1.019 283 M CA -0.988 54.200 55.300 -0.186 0.000 0.922 283 M CB 2.253 34.763 32.600 -0.150 0.000 1.600 283 M HN 0.443 nan 8.290 nan 0.000 0.433 284 L N 5.433 126.498 121.223 -0.264 0.000 2.278 284 L HA 0.474 4.820 4.340 0.010 0.000 0.287 284 L C 0.141 176.926 176.870 -0.142 0.000 1.072 284 L CA 0.451 55.132 54.840 -0.264 0.000 0.819 284 L CB 0.886 42.723 42.059 -0.370 0.000 1.176 284 L HN 0.820 nan 8.230 nan 0.000 0.435 285 T N -0.032 114.475 114.554 -0.079 0.000 2.910 285 T HA 0.287 4.643 4.350 0.010 0.000 0.279 285 T C 0.878 175.655 174.700 0.128 0.000 0.989 285 T CA -0.045 62.054 62.100 -0.002 0.000 0.968 285 T CB 0.798 69.658 68.868 -0.013 0.000 1.135 285 T HN 0.698 nan 8.240 nan 0.000 0.562 286 E N -0.041 120.228 120.200 0.115 0.000 2.118 286 E HA -0.196 4.160 4.350 0.010 0.000 0.195 286 E C 1.851 178.525 176.600 0.123 0.000 0.992 286 E CA 1.519 57.992 56.400 0.123 0.000 0.804 286 E CB 0.031 29.758 29.700 0.046 0.000 0.741 286 E HN 0.765 nan 8.360 nan 0.000 0.458 287 E N -0.637 119.634 120.200 0.117 0.000 2.057 287 E HA 0.015 4.371 4.350 0.010 0.000 0.190 287 E C 0.615 177.323 176.600 0.179 0.000 0.969 287 E CA 0.529 56.980 56.400 0.085 0.000 0.812 287 E CB 0.453 30.175 29.700 0.037 0.000 0.777 287 E HN 0.155 nan 8.360 nan 0.000 0.455 288 Q N -0.579 119.316 119.800 0.157 0.000 2.693 288 Q HA 0.414 4.760 4.340 0.010 0.000 0.306 288 Q C -1.511 174.485 176.000 -0.007 0.000 0.969 288 Q CA -0.756 55.100 55.803 0.088 0.000 0.757 288 Q CB 1.871 30.628 28.738 0.032 0.000 1.494 288 Q HN -0.017 nan 8.270 nan 0.000 0.459 289 L N 1.525 122.727 121.223 -0.036 0.000 2.305 289 L HA 0.392 4.739 4.340 0.010 0.000 0.281 289 L C -0.536 176.294 176.870 -0.066 0.000 1.085 289 L CA 0.089 54.879 54.840 -0.083 0.000 0.813 289 L CB 0.565 42.583 42.059 -0.068 0.000 1.157 289 L HN 0.223 nan 8.230 nan 0.000 0.436 290 K N 3.438 123.782 120.400 -0.093 0.000 2.318 290 K HA 0.521 4.847 4.320 0.010 0.000 0.249 290 K C -1.342 175.192 176.600 -0.110 0.000 0.942 290 K CA -1.093 55.143 56.287 -0.084 0.000 0.808 290 K CB 2.494 34.946 32.500 -0.081 0.000 1.189 290 K HN 0.185 nan 8.250 nan 0.000 0.428 291 L N 3.476 124.630 121.223 -0.114 0.000 2.265 291 L HA 0.303 4.649 4.340 0.010 0.000 0.288 291 L C 1.134 177.982 176.870 -0.037 0.000 1.058 291 L CA 0.225 54.993 54.840 -0.120 0.000 0.809 291 L CB 0.477 42.382 42.059 -0.257 0.000 1.179 291 L HN 0.648 nan 8.230 nan 0.000 0.429 292 I N -1.758 118.803 120.570 -0.016 0.000 4.018 292 I HA 0.357 4.533 4.170 0.010 0.000 0.337 292 I C -0.045 176.055 176.117 -0.028 0.000 1.327 292 I CA 0.084 61.357 61.300 -0.045 0.000 1.100 292 I CB 0.602 38.548 38.000 -0.089 0.000 1.025 292 I HN 0.360 nan 8.210 nan 0.000 0.396 293 D N 1.705 122.133 120.400 0.048 0.000 2.620 293 D HA 0.375 5.022 4.640 0.010 0.000 0.252 293 D C 0.155 176.433 176.300 -0.037 0.000 1.207 293 D CA -0.388 53.598 54.000 -0.023 0.000 0.884 293 D CB 2.211 42.969 40.800 -0.069 0.000 1.262 293 D HN 0.180 nan 8.370 nan 0.000 0.552 294 L N 2.589 123.763 121.223 -0.081 0.000 2.667 294 L HA 0.266 4.612 4.340 0.010 0.000 0.232 294 L C 2.236 178.992 176.870 -0.189 0.000 1.138 294 L CA -0.066 54.713 54.840 -0.102 0.000 0.921 294 L CB 0.588 42.624 42.059 -0.038 0.000 1.180 294 L HN 0.448 nan 8.230 nan 0.000 0.487 295 G N 0.545 109.205 108.800 -0.232 0.000 2.450 295 G HA2 -0.257 3.709 3.960 0.010 0.000 0.220 295 G HA3 -0.257 3.709 3.960 0.010 0.000 0.220 295 G C 1.512 176.142 174.900 -0.449 0.000 1.130 295 G CA 0.938 45.859 45.100 -0.298 0.000 0.760 295 G HN 0.460 nan 8.290 nan 0.000 0.557 296 A N -0.271 122.312 122.820 -0.394 0.000 2.238 296 A HA 0.539 4.865 4.320 0.010 0.000 0.210 296 A C 0.981 178.552 177.584 -0.021 0.000 1.179 296 A CA -0.181 51.680 52.037 -0.294 0.000 0.827 296 A CB 0.154 19.076 19.000 -0.130 0.000 0.856 296 A HN 0.140 nan 8.150 nan 0.000 0.488 297 V N 1.998 121.862 119.914 -0.083 0.000 2.720 297 V HA 0.268 4.394 4.120 0.010 0.000 0.307 297 V C 0.801 177.062 176.094 0.279 0.000 1.071 297 V CA 0.974 63.332 62.300 0.096 0.000 1.199 297 V CB 0.277 32.182 31.823 0.137 0.000 0.900 297 V HN 0.724 nan 8.190 nan 0.000 0.494 298 S N 5.216 121.072 115.700 0.260 0.000 2.705 298 S HA 0.682 5.159 4.470 0.010 0.000 0.280 298 S C -0.725 173.935 174.600 0.100 0.000 1.174 298 S CA -1.206 57.132 58.200 0.231 0.000 0.823 298 S CB 1.670 64.995 63.200 0.208 0.000 1.162 298 S HN 0.579 nan 8.310 nan 0.000 0.487 299 R N 0.145 120.647 120.500 0.004 0.000 2.531 299 R HA 0.481 4.827 4.340 0.010 0.000 0.273 299 R C -0.260 176.021 176.300 -0.030 0.000 1.070 299 R CA -0.488 55.585 56.100 -0.045 0.000 1.112 299 R CB 0.321 30.564 30.300 -0.095 0.000 1.049 299 R HN 0.601 nan 8.270 nan 0.000 0.508 300 I N 2.824 123.375 120.570 -0.033 0.000 2.710 300 I HA -0.223 3.953 4.170 0.010 0.000 0.286 300 I C 1.439 177.511 176.117 -0.075 0.000 1.181 300 I CA 0.881 62.151 61.300 -0.051 0.000 1.430 300 I CB 0.161 38.133 38.000 -0.046 0.000 1.367 300 I HN 0.886 nan 8.210 nan 0.000 0.577 301 N N 3.098 121.722 118.700 -0.126 0.000 2.778 301 N HA -0.202 4.544 4.740 0.010 0.000 0.249 301 N C 0.205 175.519 175.510 -0.327 0.000 1.069 301 N CA 0.592 53.516 53.050 -0.212 0.000 0.831 301 N CB -0.298 38.129 38.487 -0.101 0.000 1.142 301 N HN 0.792 nan 8.380 nan 0.000 0.573 302 S N -0.285 115.287 115.700 -0.214 0.000 2.576 302 S HA 0.429 4.905 4.470 0.010 0.000 0.272 302 S C 0.129 174.527 174.600 -0.337 0.000 1.352 302 S CA -0.095 58.025 58.200 -0.133 0.000 1.021 302 S CB 0.569 63.739 63.200 -0.052 0.000 0.887 302 S HN 0.254 nan 8.310 nan 0.000 0.542 303 F N 0.323 120.235 119.950 -0.063 0.000 2.613 303 F HA 0.816 5.350 4.527 0.011 0.000 0.342 303 F C 1.267 176.998 175.800 -0.115 0.000 1.066 303 F CA 0.392 58.341 58.000 -0.085 0.000 1.002 303 F CB 1.298 40.252 39.000 -0.077 0.000 1.319 303 F HN 1.148 nan 8.300 nan 0.000 0.495 304 G N -0.485 108.332 108.800 0.029 0.000 2.482 304 G HA2 -0.190 3.777 3.960 0.010 0.000 0.214 304 G HA3 -0.190 3.777 3.960 0.010 0.000 0.214 304 G C -1.551 173.191 174.900 -0.262 0.000 1.271 304 G CA -1.094 43.899 45.100 -0.179 0.000 0.944 304 G HN 0.528 nan 8.290 nan 0.000 0.568 305 Y N 0.678 120.904 120.300 -0.123 0.000 2.544 305 Y HA 0.504 5.060 4.550 0.011 0.000 0.330 305 Y C 1.157 176.716 175.900 -0.568 0.000 1.136 305 Y CA -0.005 57.944 58.100 -0.252 0.000 1.417 305 Y CB 0.482 38.838 38.460 -0.173 0.000 1.229 305 Y HN 0.454 nan 8.280 nan 0.000 0.532 306 L N 5.729 126.788 121.223 -0.274 0.000 2.280 306 L HA 0.414 4.761 4.340 0.010 0.000 0.287 306 L C -0.841 175.892 176.870 -0.228 0.000 1.023 306 L CA -0.900 53.749 54.840 -0.319 0.000 0.819 306 L CB 0.247 42.223 42.059 -0.138 0.000 1.212 306 L HN 0.551 nan 8.230 nan 0.000 0.420 307 Y N 1.371 121.727 120.300 0.093 0.000 2.432 307 Y HA 0.890 5.446 4.550 0.011 0.000 0.322 307 Y C 0.977 176.916 175.900 0.064 0.000 1.246 307 Y CA -0.637 57.511 58.100 0.081 0.000 1.268 307 Y CB 1.471 39.957 38.460 0.043 0.000 1.276 307 Y HN 0.676 nan 8.280 nan 0.000 0.499 308 G N -0.347 108.601 108.800 0.247 0.000 2.359 308 G HA2 0.352 4.318 3.960 0.010 0.000 0.293 308 G HA3 0.352 4.318 3.960 0.010 0.000 0.293 308 G C -1.448 173.571 174.900 0.198 0.000 1.300 308 G CA -0.543 44.666 45.100 0.182 0.000 0.888 308 G HN 0.921 nan 8.290 nan 0.000 0.541 309 T N -0.203 114.488 114.554 0.228 0.000 2.840 309 T HA 0.730 5.086 4.350 0.010 0.000 0.287 309 T C -3.001 171.870 174.700 0.285 0.000 0.991 309 T CA -1.467 60.789 62.100 0.260 0.000 0.964 309 T CB 2.152 71.186 68.868 0.278 0.000 0.954 309 T HN 0.368 nan 8.240 nan 0.000 0.438 310 P HA 0.321 nan 4.420 nan 0.000 0.262 310 P C 1.139 178.514 177.300 0.124 0.000 1.182 310 P CA 1.325 64.507 63.100 0.137 0.000 0.761 310 P CB 0.403 32.149 31.700 0.078 0.000 0.795 311 G N 1.335 110.192 108.800 0.095 0.000 2.259 311 G HA2 -0.291 3.675 3.960 0.010 0.000 0.217 311 G HA3 -0.291 3.675 3.960 0.010 0.000 0.217 311 G C 0.548 175.346 174.900 -0.171 0.000 1.001 311 G CA -0.179 44.900 45.100 -0.035 0.000 0.627 311 G HN 0.458 nan 8.290 nan 0.000 0.501 312 F N 1.329 121.411 119.950 0.221 0.000 2.699 312 F HA 0.323 4.856 4.527 0.009 0.000 0.295 312 F C 1.551 177.564 175.800 0.355 0.000 1.052 312 F CA 0.568 58.703 58.000 0.224 0.000 1.239 312 F CB 0.224 39.331 39.000 0.178 0.000 1.018 312 F HN 0.382 nan 8.300 nan 0.000 0.627 313 Q N 1.618 121.686 119.800 0.446 0.000 2.299 313 Q HA 0.640 4.986 4.340 0.010 0.000 0.246 313 Q C -0.177 175.851 176.000 0.047 0.000 0.935 313 Q CA -0.717 55.266 55.803 0.300 0.000 0.887 313 Q CB 1.557 30.406 28.738 0.185 0.000 1.223 313 Q HN 0.135 nan 8.270 nan 0.000 0.439 314 A N 3.736 126.412 122.820 -0.240 0.000 2.520 314 A HA 0.177 4.503 4.320 0.010 0.000 0.245 314 A C -1.402 175.916 177.584 -0.443 0.000 1.072 314 A CA -1.207 50.335 52.037 -0.826 0.000 0.761 314 A CB -0.202 18.511 19.000 -0.479 0.000 1.004 314 A HN 0.847 nan 8.150 nan 0.000 0.499 315 P HA -0.205 nan 4.420 nan 0.000 0.216 315 P C 0.859 178.070 177.300 -0.148 0.000 1.150 315 P CA 1.557 64.533 63.100 -0.206 0.000 0.837 315 P CB 0.155 31.757 31.700 -0.164 0.000 0.786 316 E N 0.119 120.218 120.200 -0.168 0.000 2.476 316 E HA -0.015 4.342 4.350 0.010 0.000 0.191 316 E C 1.852 178.390 176.600 -0.104 0.000 1.064 316 E CA -0.260 56.072 56.400 -0.112 0.000 0.866 316 E CB -1.016 28.624 29.700 -0.100 0.000 0.952 316 E HN 0.271 nan 8.360 nan 0.000 0.492 317 I N 0.537 121.040 120.570 -0.111 0.000 2.423 317 I HA -0.256 3.920 4.170 0.010 0.000 0.254 317 I C 1.799 177.858 176.117 -0.096 0.000 1.151 317 I CA 0.759 62.000 61.300 -0.097 0.000 1.421 317 I CB 0.259 38.214 38.000 -0.075 0.000 1.079 317 I HN -0.040 nan 8.210 nan 0.000 0.431 318 V N 0.810 120.678 119.914 -0.076 0.000 2.453 318 V HA -0.215 3.912 4.120 0.010 0.000 0.247 318 V C 2.535 178.585 176.094 -0.072 0.000 1.048 318 V CA 1.990 64.249 62.300 -0.068 0.000 1.049 318 V CB -0.808 30.992 31.823 -0.039 0.000 0.672 318 V HN 0.451 nan 8.190 nan 0.000 0.457 319 R N 0.949 121.411 120.500 -0.065 0.000 2.062 319 R HA -0.168 4.179 4.340 0.010 0.000 0.231 319 R C 2.381 178.634 176.300 -0.078 0.000 1.136 319 R CA 2.282 58.350 56.100 -0.054 0.000 0.948 319 R CB -0.463 29.810 30.300 -0.045 0.000 0.845 319 R HN 0.635 nan 8.270 nan 0.000 0.430 320 T N -2.779 111.715 114.554 -0.099 0.000 3.051 320 T HA 0.297 4.653 4.350 0.010 0.000 0.255 320 T C 0.964 175.551 174.700 -0.189 0.000 1.085 320 T CA 0.291 62.321 62.100 -0.116 0.000 1.109 320 T CB 0.115 68.929 68.868 -0.091 0.000 0.921 320 T HN 0.597 nan 8.240 nan 0.000 0.488 321 G N 2.200 110.872 108.800 -0.213 0.000 2.855 321 G HA2 -0.048 3.918 3.960 0.010 0.000 0.352 321 G HA3 -0.048 3.918 3.960 0.010 0.000 0.352 321 G C -3.032 171.767 174.900 -0.168 0.000 1.415 321 G CA -0.743 44.199 45.100 -0.262 0.000 0.871 321 G HN 0.474 nan 8.290 nan 0.000 0.543 322 P HA 0.436 nan 4.420 nan 0.000 0.271 322 P C 0.369 177.623 177.300 -0.077 0.000 1.216 322 P CA 0.788 63.844 63.100 -0.074 0.000 0.776 322 P CB 1.175 32.854 31.700 -0.035 0.000 0.881 323 T N -2.271 112.247 114.554 -0.060 0.000 2.787 323 T HA 0.274 4.630 4.350 0.010 0.000 0.297 323 T C 0.878 175.505 174.700 -0.121 0.000 1.221 323 T CA -0.720 61.329 62.100 -0.085 0.000 1.006 323 T CB 0.346 69.169 68.868 -0.075 0.000 1.328 323 T HN -0.055 nan 8.240 nan 0.000 0.509 324 V N 1.461 121.240 119.914 -0.224 0.000 2.252 324 V HA -0.163 3.963 4.120 0.010 0.000 0.249 324 V C 3.237 179.260 176.094 -0.118 0.000 1.056 324 V CA 2.820 64.891 62.300 -0.383 0.000 1.022 324 V CB -1.667 29.940 31.823 -0.359 0.000 0.641 324 V HN 1.110 nan 8.190 nan 0.000 0.445 325 A N 0.808 123.599 122.820 -0.049 0.000 1.915 325 A HA -0.358 3.969 4.320 0.010 0.000 0.220 325 A C 2.498 180.122 177.584 0.067 0.000 1.198 325 A CA 3.364 55.414 52.037 0.022 0.000 0.647 325 A CB -1.312 17.688 19.000 0.000 0.000 0.825 325 A HN 0.715 nan 8.150 nan 0.000 0.456 326 T N -3.111 111.464 114.554 0.035 0.000 2.867 326 T HA -0.129 4.227 4.350 0.010 0.000 0.268 326 T C 1.397 176.197 174.700 0.167 0.000 1.057 326 T CA 1.605 63.747 62.100 0.070 0.000 1.136 326 T CB -0.396 68.481 68.868 0.014 0.000 0.874 326 T HN 0.358 nan 8.240 nan 0.000 0.466 327 D N 1.076 121.569 120.400 0.155 0.000 2.149 327 D HA 0.059 4.705 4.640 0.010 0.000 0.201 327 D C 2.129 178.568 176.300 0.231 0.000 0.972 327 D CA 0.328 54.466 54.000 0.229 0.000 0.835 327 D CB -0.189 40.800 40.800 0.315 0.000 0.966 327 D HN 0.298 nan 8.370 nan 0.000 0.476 328 I N 0.420 121.115 120.570 0.209 0.000 2.208 328 I HA -0.289 3.887 4.170 0.010 0.000 0.245 328 I C 2.233 178.485 176.117 0.226 0.000 1.097 328 I CA 1.045 62.474 61.300 0.216 0.000 1.363 328 I CB -1.093 37.043 38.000 0.227 0.000 1.051 328 I HN 0.108 nan 8.210 nan 0.000 0.413 329 Y N 2.405 122.775 120.300 0.116 0.000 2.128 329 Y HA -0.344 4.213 4.550 0.011 0.000 0.284 329 Y C 2.956 178.935 175.900 0.131 0.000 1.154 329 Y CA 2.789 60.952 58.100 0.104 0.000 1.149 329 Y CB -0.398 38.110 38.460 0.080 0.000 0.976 329 Y HN 0.351 nan 8.280 nan 0.000 0.505 330 T N -2.860 111.877 114.554 0.305 0.000 2.833 330 T HA -0.158 4.199 4.350 0.010 0.000 0.269 330 T C 1.857 176.655 174.700 0.163 0.000 1.054 330 T CA 1.440 63.697 62.100 0.262 0.000 1.135 330 T CB -1.166 67.875 68.868 0.289 0.000 0.869 330 T HN 0.172 nan 8.240 nan 0.000 0.466 331 V N 1.984 121.971 119.914 0.122 0.000 2.270 331 V HA 0.035 4.161 4.120 0.010 0.000 0.245 331 V C 3.145 179.267 176.094 0.047 0.000 1.043 331 V CA 1.803 64.149 62.300 0.077 0.000 1.014 331 V CB -1.561 30.300 31.823 0.064 0.000 0.645 331 V HN 0.651 nan 8.190 nan 0.000 0.447 332 G N 0.186 108.991 108.800 0.008 0.000 2.446 332 G HA2 -0.240 3.727 3.960 0.010 0.000 0.217 332 G HA3 -0.240 3.727 3.960 0.010 0.000 0.217 332 G C 1.706 176.543 174.900 -0.105 0.000 1.168 332 G CA 0.603 45.667 45.100 -0.061 0.000 0.771 332 G HN 0.316 nan 8.290 nan 0.000 0.551 333 R N 0.164 120.579 120.500 -0.140 0.000 2.081 333 R HA -0.041 4.306 4.340 0.010 0.000 0.235 333 R C 2.752 179.113 176.300 0.102 0.000 1.131 333 R CA 1.550 57.591 56.100 -0.099 0.000 0.960 333 R CB -1.555 28.720 30.300 -0.043 0.000 0.856 333 R HN 0.329 nan 8.270 nan 0.000 0.436 334 T N 2.257 116.945 114.554 0.223 0.000 2.708 334 T HA -0.049 4.307 4.350 0.010 0.000 0.266 334 T C 2.074 176.855 174.700 0.135 0.000 1.037 334 T CA 0.991 63.233 62.100 0.237 0.000 1.146 334 T CB -0.193 68.748 68.868 0.121 0.000 0.865 334 T HN 0.111 nan 8.240 nan 0.000 0.435 335 L N 0.625 121.902 121.223 0.090 0.000 2.017 335 L HA -0.134 4.212 4.340 0.010 0.000 0.208 335 L C 3.036 179.964 176.870 0.096 0.000 1.073 335 L CA 1.355 56.264 54.840 0.114 0.000 0.745 335 L CB -0.667 41.477 42.059 0.141 0.000 0.894 335 L HN 0.254 nan 8.230 nan 0.000 0.432 336 A N -0.110 122.704 122.820 -0.011 0.000 1.902 336 A HA -0.187 4.140 4.320 0.010 0.000 0.217 336 A C 2.518 180.017 177.584 -0.141 0.000 1.181 336 A CA 1.764 53.748 52.037 -0.089 0.000 0.623 336 A CB -0.739 18.148 19.000 -0.188 0.000 0.818 336 A HN 0.420 nan 8.150 nan 0.000 0.443 337 A N -0.324 122.387 122.820 -0.182 0.000 1.902 337 A HA -0.051 4.275 4.320 0.010 0.000 0.217 337 A C 2.110 179.672 177.584 -0.037 0.000 1.181 337 A CA 1.529 53.402 52.037 -0.274 0.000 0.623 337 A CB -0.599 18.391 19.000 -0.017 0.000 0.818 337 A HN 0.477 nan 8.150 nan 0.000 0.443 338 L N -0.403 120.851 121.223 0.052 0.000 2.291 338 L HA -0.089 4.257 4.340 0.010 0.000 0.214 338 L C 2.402 179.310 176.870 0.064 0.000 1.120 338 L CA 1.598 56.485 54.840 0.079 0.000 0.799 338 L CB -0.254 41.864 42.059 0.098 0.000 0.925 338 L HN 0.692 nan 8.230 nan 0.000 0.446 339 T N -4.647 109.943 114.554 0.060 0.000 2.954 339 T HA 0.323 4.679 4.350 0.010 0.000 0.252 339 T C 0.498 175.244 174.700 0.077 0.000 0.983 339 T CA -0.237 61.911 62.100 0.081 0.000 0.941 339 T CB 0.227 69.182 68.868 0.146 0.000 1.141 339 T HN -0.037 nan 8.240 nan 0.000 0.500 340 L N 1.253 122.497 121.223 0.035 0.000 2.319 340 L HA 0.594 4.940 4.340 0.010 0.000 0.267 340 L C -0.781 176.088 176.870 -0.002 0.000 1.011 340 L CA -1.194 53.659 54.840 0.021 0.000 0.818 340 L CB 1.513 43.568 42.059 -0.007 0.000 1.316 340 L HN -0.128 nan 8.230 nan 0.000 0.432 341 D N 2.642 123.051 120.400 0.016 0.000 2.688 341 D HA 0.242 4.888 4.640 0.010 0.000 0.228 341 D C -0.071 176.241 176.300 0.020 0.000 1.116 341 D CA 0.184 54.201 54.000 0.028 0.000 1.023 341 D CB -0.103 40.717 40.800 0.033 0.000 1.100 341 D HN 0.216 nan 8.370 nan 0.000 0.487 342 L N 2.255 123.474 121.223 -0.007 0.000 2.462 342 L HA 0.177 4.523 4.340 0.010 0.000 0.272 342 L C -1.758 175.193 176.870 0.135 0.000 1.166 342 L CA -1.524 53.308 54.840 -0.012 0.000 0.880 342 L CB -0.049 41.846 42.059 -0.274 0.000 1.142 342 L HN -0.071 nan 8.230 nan 0.000 0.473 343 P HA 0.128 nan 4.420 nan 0.000 0.271 343 P C -0.492 176.867 177.300 0.098 0.000 1.218 343 P CA -0.307 62.837 63.100 0.074 0.000 0.780 343 P CB 0.810 32.530 31.700 0.033 0.000 0.901 344 T N 0.480 115.047 114.554 0.023 0.000 2.863 344 T HA 0.635 4.992 4.350 0.010 0.000 0.285 344 T C -0.393 174.266 174.700 -0.070 0.000 1.009 344 T CA -0.963 61.099 62.100 -0.063 0.000 0.989 344 T CB 1.298 70.051 68.868 -0.192 0.000 1.004 344 T HN 0.133 nan 8.240 nan 0.000 0.455 345 R N 2.863 123.313 120.500 -0.083 0.000 2.532 345 R HA 0.497 4.843 4.340 0.010 0.000 0.297 345 R C -0.189 176.048 176.300 -0.105 0.000 0.984 345 R CA -0.373 55.682 56.100 -0.075 0.000 0.884 345 R CB 1.477 31.748 30.300 -0.047 0.000 1.182 345 R HN 0.980 nan 8.270 nan 0.000 0.442 346 N N 0.582 119.216 118.700 -0.110 0.000 1.317 346 N HA -0.224 4.522 4.740 0.010 0.000 0.141 346 N C 0.849 176.216 175.510 -0.238 0.000 0.873 346 N CA 1.883 54.846 53.050 -0.144 0.000 0.939 346 N CB -1.222 37.176 38.487 -0.150 0.000 1.141 346 N HN 0.747 nan 8.380 nan 0.000 0.581 347 G N -0.661 107.925 108.800 -0.357 0.000 3.042 347 G HA2 0.159 4.125 3.960 0.010 0.000 0.212 347 G HA3 0.159 4.125 3.960 0.010 0.000 0.212 347 G C 0.239 174.894 174.900 -0.409 0.000 1.166 347 G CA 0.275 45.071 45.100 -0.506 0.000 0.767 347 G HN 0.336 nan 8.290 nan 0.000 0.546 348 R N -0.047 120.278 120.500 -0.291 0.000 2.357 348 R HA 0.400 4.746 4.340 0.010 0.000 0.296 348 R C -0.927 175.228 176.300 -0.242 0.000 1.052 348 R CA -0.637 55.316 56.100 -0.245 0.000 0.988 348 R CB 0.356 30.583 30.300 -0.122 0.000 1.025 348 R HN 0.183 nan 8.270 nan 0.000 0.469 349 Y N 2.455 122.647 120.300 -0.179 0.000 2.632 349 Y HA 0.008 4.563 4.550 0.009 0.000 0.329 349 Y C 0.961 176.775 175.900 -0.143 0.000 1.174 349 Y CA -0.330 57.656 58.100 -0.189 0.000 1.469 349 Y CB 0.087 38.361 38.460 -0.311 0.000 1.242 349 Y HN 0.312 nan 8.280 nan 0.000 0.540 350 V N 0.705 120.663 119.914 0.073 0.000 3.185 350 V HA 0.206 4.333 4.120 0.010 0.000 0.305 350 V C 0.217 176.321 176.094 0.016 0.000 1.090 350 V CA -1.168 61.149 62.300 0.027 0.000 1.107 350 V CB 0.694 32.527 31.823 0.016 0.000 1.061 350 V HN 0.550 nan 8.190 nan 0.000 0.480 351 D N 1.153 121.565 120.400 0.020 0.000 2.358 351 D HA 0.554 5.201 4.640 0.010 0.000 0.244 351 D C 0.746 177.050 176.300 0.006 0.000 1.163 351 D CA 1.424 55.442 54.000 0.030 0.000 0.945 351 D CB 0.944 41.781 40.800 0.062 0.000 1.152 351 D HN 1.412 nan 8.370 nan 0.000 0.451 352 G N -0.619 108.181 108.800 0.000 0.000 2.697 352 G HA2 -0.194 3.773 3.960 0.010 0.000 0.240 352 G HA3 -0.194 3.773 3.960 0.010 0.000 0.240 352 G C -0.809 174.056 174.900 -0.058 0.000 1.346 352 G CA -0.426 44.660 45.100 -0.025 0.000 0.887 352 G HN 0.467 nan 8.290 nan 0.000 0.569 353 L N 1.358 122.548 121.223 -0.055 0.000 2.342 353 L HA 0.516 4.863 4.340 0.010 0.000 0.271 353 L C -1.569 175.278 176.870 -0.039 0.000 1.008 353 L CA -1.980 52.821 54.840 -0.065 0.000 0.818 353 L CB 1.887 43.901 42.059 -0.075 0.000 1.296 353 L HN 0.547 nan 8.230 nan 0.000 0.427 354 P HA -0.039 nan 4.420 nan 0.000 0.265 354 P C 0.139 177.431 177.300 -0.012 0.000 1.187 354 P CA 0.125 63.214 63.100 -0.017 0.000 0.766 354 P CB 1.011 32.704 31.700 -0.012 0.000 0.820 355 E N 0.873 121.069 120.200 -0.007 0.000 2.072 355 E HA -0.129 4.228 4.350 0.010 0.000 0.190 355 E C 0.089 176.688 176.600 -0.001 0.000 0.982 355 E CA 0.909 57.306 56.400 -0.004 0.000 0.803 355 E CB 0.185 29.884 29.700 -0.003 0.000 0.755 355 E HN 0.417 nan 8.360 nan 0.000 0.453 356 D N 1.171 121.571 120.400 -0.000 0.000 3.010 356 D HA 0.049 4.695 4.640 0.010 0.000 0.347 356 D C -1.064 175.239 176.300 0.004 0.000 1.340 356 D CA -0.077 53.924 54.000 0.001 0.000 0.858 356 D CB 0.185 40.984 40.800 -0.002 0.000 1.111 356 D HN 0.119 nan 8.370 nan 0.000 0.482 357 D N 1.303 121.708 120.400 0.008 0.000 2.383 357 D HA 0.034 4.680 4.640 0.010 0.000 0.252 357 D C -1.459 174.855 176.300 0.023 0.000 1.166 357 D CA -1.500 52.510 54.000 0.017 0.000 0.879 357 D CB 2.254 43.066 40.800 0.022 0.000 1.164 357 D HN -0.039 nan 8.370 nan 0.000 0.462 358 P HA -0.122 nan 4.420 nan 0.000 0.218 358 P C 1.595 178.907 177.300 0.020 0.000 1.149 358 P CA 0.401 63.505 63.100 0.008 0.000 0.817 358 P CB 0.354 32.058 31.700 0.005 0.000 0.785 359 V N -0.261 119.697 119.914 0.073 0.000 2.343 359 V HA -0.207 3.920 4.120 0.010 0.000 0.247 359 V C 2.401 178.623 176.094 0.213 0.000 1.051 359 V CA 1.564 63.963 62.300 0.165 0.000 1.036 359 V CB -1.198 30.756 31.823 0.218 0.000 0.654 359 V HN 0.090 nan 8.190 nan 0.000 0.451 360 L N -0.541 120.773 121.223 0.153 0.000 2.275 360 L HA -0.126 4.221 4.340 0.010 0.000 0.215 360 L C 2.510 179.434 176.870 0.090 0.000 1.119 360 L CA 1.337 56.260 54.840 0.139 0.000 0.790 360 L CB -0.551 41.546 42.059 0.064 0.000 0.919 360 L HN 0.333 nan 8.230 nan 0.000 0.443 361 K N -0.050 120.372 120.400 0.035 0.000 2.076 361 K HA -0.136 4.191 4.320 0.010 0.000 0.204 361 K C 2.241 178.807 176.600 -0.057 0.000 1.051 361 K CA 1.709 57.992 56.287 -0.006 0.000 0.949 361 K CB 0.068 32.552 32.500 -0.027 0.000 0.726 361 K HN 0.313 nan 8.250 nan 0.000 0.443 362 T N -1.565 112.901 114.554 -0.147 0.000 2.904 362 T HA -0.120 4.237 4.350 0.010 0.000 0.267 362 T C 0.418 174.862 174.700 -0.425 0.000 1.059 362 T CA 0.711 62.589 62.100 -0.370 0.000 1.137 362 T CB -0.131 68.371 68.868 -0.610 0.000 0.879 362 T HN 0.035 nan 8.240 nan 0.000 0.467 363 Y N 1.731 122.080 120.300 0.082 0.000 2.842 363 Y HA 0.452 5.008 4.550 0.010 0.000 0.334 363 Y C 0.853 176.841 175.900 0.147 0.000 1.019 363 Y CA -1.991 56.179 58.100 0.115 0.000 1.258 363 Y CB 0.659 39.205 38.460 0.144 0.000 1.106 363 Y HN 0.196 nan 8.280 nan 0.000 0.545 364 D N 1.026 121.558 120.400 0.221 0.000 2.084 364 D HA -0.216 4.430 4.640 0.010 0.000 0.194 364 D C 2.156 178.570 176.300 0.191 0.000 0.990 364 D CA 2.252 56.356 54.000 0.175 0.000 0.826 364 D CB 0.336 41.217 40.800 0.134 0.000 0.971 364 D HN 0.409 nan 8.370 nan 0.000 0.453 365 S N -1.298 114.534 115.700 0.219 0.000 2.423 365 S HA -0.214 4.262 4.470 0.010 0.000 0.231 365 S C 2.146 176.870 174.600 0.207 0.000 1.014 365 S CA 0.709 59.028 58.200 0.198 0.000 0.965 365 S CB -0.916 62.401 63.200 0.194 0.000 0.785 365 S HN 0.487 nan 8.310 nan 0.000 0.495 366 Y N 2.981 123.348 120.300 0.112 0.000 2.224 366 Y HA 0.093 4.649 4.550 0.010 0.000 0.289 366 Y C 2.401 178.346 175.900 0.075 0.000 1.146 366 Y CA 0.902 59.046 58.100 0.072 0.000 1.182 366 Y CB -1.077 37.409 38.460 0.045 0.000 0.983 366 Y HN 0.283 nan 8.280 nan 0.000 0.524 367 G N 0.073 108.861 108.800 -0.020 0.000 2.418 367 G HA2 -0.227 3.739 3.960 0.010 0.000 0.217 367 G HA3 -0.227 3.739 3.960 0.010 0.000 0.217 367 G C 1.768 176.618 174.900 -0.084 0.000 1.158 367 G CA 0.750 45.782 45.100 -0.114 0.000 0.771 367 G HN 0.391 nan 8.290 nan 0.000 0.545 368 R N -0.396 120.103 120.500 -0.002 0.000 2.115 368 R HA 0.081 4.428 4.340 0.010 0.000 0.230 368 R C 2.375 178.684 176.300 0.015 0.000 1.111 368 R CA 0.697 56.803 56.100 0.009 0.000 0.976 368 R CB -0.459 29.870 30.300 0.048 0.000 0.870 368 R HN 0.305 nan 8.270 nan 0.000 0.445 369 L N 1.429 122.684 121.223 0.053 0.000 2.056 369 L HA -0.112 4.235 4.340 0.010 0.000 0.207 369 L C 1.845 178.772 176.870 0.094 0.000 1.078 369 L CA 1.718 56.656 54.840 0.164 0.000 0.749 369 L CB -0.813 41.340 42.059 0.156 0.000 0.901 369 L HN 0.227 nan 8.230 nan 0.000 0.433 370 L N -0.362 120.795 121.223 -0.110 0.000 2.017 370 L HA -0.217 4.129 4.340 0.010 0.000 0.208 370 L C 2.873 179.684 176.870 -0.097 0.000 1.073 370 L CA 1.274 56.018 54.840 -0.161 0.000 0.745 370 L CB -0.544 41.313 42.059 -0.335 0.000 0.894 370 L HN 0.274 nan 8.230 nan 0.000 0.432 371 R N -0.208 120.237 120.500 -0.092 0.000 2.081 371 R HA -0.184 4.162 4.340 0.010 0.000 0.235 371 R C 2.395 178.642 176.300 -0.090 0.000 1.131 371 R CA 1.362 57.413 56.100 -0.081 0.000 0.960 371 R CB -0.318 29.942 30.300 -0.067 0.000 0.856 371 R HN 0.235 nan 8.270 nan 0.000 0.436 372 R N 1.075 121.497 120.500 -0.130 0.000 2.073 372 R HA -0.108 4.238 4.340 0.010 0.000 0.234 372 R C 2.170 178.336 176.300 -0.224 0.000 1.134 372 R CA 1.754 57.683 56.100 -0.285 0.000 0.952 372 R CB -0.472 29.466 30.300 -0.603 0.000 0.850 372 R HN 0.207 nan 8.270 nan 0.000 0.433 373 A N 1.224 124.035 122.820 -0.014 0.000 1.908 373 A HA -0.126 4.201 4.320 0.010 0.000 0.218 373 A C 2.073 179.694 177.584 0.062 0.000 1.181 373 A CA 1.760 53.893 52.037 0.160 0.000 0.627 373 A CB -0.805 18.346 19.000 0.250 0.000 0.818 373 A HN 0.639 nan 8.150 nan 0.000 0.445 374 I N -3.695 116.854 120.570 -0.036 0.000 3.861 374 I HA 0.187 4.363 4.170 0.010 0.000 0.329 374 I C -0.023 176.190 176.117 0.160 0.000 1.321 374 I CA -0.470 60.786 61.300 -0.072 0.000 1.126 374 I CB -0.177 37.614 38.000 -0.349 0.000 1.018 374 I HN 0.020 nan 8.210 nan 0.000 0.407 375 D N 3.698 124.145 120.400 0.079 0.000 2.583 375 D HA -0.022 4.625 4.640 0.010 0.000 0.232 375 D C -1.323 175.040 176.300 0.104 0.000 1.128 375 D CA -0.740 53.292 54.000 0.053 0.000 0.859 375 D CB 1.509 42.296 40.800 -0.022 0.000 1.169 375 D HN 0.103 nan 8.370 nan 0.000 0.481 376 P HA -0.099 nan 4.420 nan 0.000 0.218 376 P C 0.091 177.391 177.300 -0.001 0.000 1.148 376 P CA 0.807 63.930 63.100 0.038 0.000 0.822 376 P CB 0.192 31.906 31.700 0.023 0.000 0.784 377 D N -0.194 120.205 120.400 -0.001 0.000 2.336 377 D HA 0.042 4.688 4.640 0.010 0.000 0.249 377 D C -1.291 175.002 176.300 -0.011 0.000 1.213 377 D CA -2.440 51.553 54.000 -0.012 0.000 0.870 377 D CB 0.686 41.478 40.800 -0.013 0.000 1.076 377 D HN 0.052 nan 8.370 nan 0.000 0.483 378 P HA -0.146 nan 4.420 nan 0.000 0.219 378 P C 0.922 178.215 177.300 -0.012 0.000 1.146 378 P CA 0.859 63.954 63.100 -0.009 0.000 0.808 378 P CB 0.324 32.010 31.700 -0.024 0.000 0.779 379 R N -0.463 120.027 120.500 -0.016 0.000 2.235 379 R HA -0.016 4.331 4.340 0.010 0.000 0.213 379 R C 2.170 178.449 176.300 -0.034 0.000 1.059 379 R CA 0.746 56.837 56.100 -0.015 0.000 0.997 379 R CB -0.324 29.973 30.300 -0.006 0.000 0.884 379 R HN 0.273 nan 8.270 nan 0.000 0.462 380 Q N 0.279 120.047 119.800 -0.052 0.000 2.392 380 Q HA 0.102 4.448 4.340 0.010 0.000 0.203 380 Q C 0.259 176.152 176.000 -0.179 0.000 0.917 380 Q CA 0.323 56.066 55.803 -0.099 0.000 0.939 380 Q CB 0.599 29.289 28.738 -0.079 0.000 1.063 380 Q HN 0.280 nan 8.270 nan 0.000 0.516 381 R N -0.178 120.239 120.500 -0.138 0.000 2.583 381 R HA 0.248 4.594 4.340 0.010 0.000 0.268 381 R C -0.210 175.959 176.300 -0.219 0.000 1.101 381 R CA -0.654 55.330 56.100 -0.192 0.000 1.180 381 R CB 0.353 30.649 30.300 -0.007 0.000 1.128 381 R HN -0.093 nan 8.270 nan 0.000 0.568 382 F N 0.475 120.414 119.950 -0.018 0.000 2.635 382 F HA -0.134 4.399 4.527 0.011 0.000 0.379 382 F C 1.867 177.674 175.800 0.011 0.000 1.094 382 F CA 0.714 58.708 58.000 -0.010 0.000 1.300 382 F CB -0.033 38.973 39.000 0.010 0.000 1.035 382 F HN 0.534 nan 8.300 nan 0.000 0.581 383 T N 0.109 114.775 114.554 0.186 0.000 2.857 383 T HA -0.029 4.328 4.350 0.010 0.000 0.266 383 T C 0.781 175.552 174.700 0.118 0.000 1.048 383 T CA 1.624 63.794 62.100 0.118 0.000 1.139 383 T CB -0.185 68.746 68.868 0.105 0.000 0.874 383 T HN 0.763 nan 8.240 nan 0.000 0.455 384 T N -2.012 112.634 114.554 0.154 0.000 2.883 384 T HA 0.766 5.123 4.350 0.010 0.000 0.296 384 T C 1.234 176.022 174.700 0.147 0.000 1.117 384 T CA -0.350 61.834 62.100 0.140 0.000 1.006 384 T CB 1.811 70.752 68.868 0.122 0.000 1.191 384 T HN -0.100 nan 8.240 nan 0.000 0.508 385 A N 0.495 123.420 122.820 0.175 0.000 1.933 385 A HA -0.045 4.281 4.320 0.010 0.000 0.218 385 A C 2.086 179.687 177.584 0.029 0.000 1.175 385 A CA 1.713 53.815 52.037 0.107 0.000 0.628 385 A CB -1.019 18.050 19.000 0.115 0.000 0.814 385 A HN 0.955 nan 8.150 nan 0.000 0.444 386 E N -0.753 119.476 120.200 0.050 0.000 2.077 386 E HA -0.225 4.131 4.350 0.010 0.000 0.193 386 E C 2.089 178.695 176.600 0.011 0.000 0.989 386 E CA 1.201 57.616 56.400 0.025 0.000 0.800 386 E CB -0.165 29.561 29.700 0.043 0.000 0.746 386 E HN 0.823 nan 8.360 nan 0.000 0.452 387 E N 0.803 121.030 120.200 0.045 0.000 2.085 387 E HA -0.244 4.112 4.350 0.010 0.000 0.194 387 E C 2.126 178.697 176.600 -0.048 0.000 0.994 387 E CA 1.168 57.608 56.400 0.068 0.000 0.801 387 E CB -0.064 29.735 29.700 0.166 0.000 0.743 387 E HN 0.195 nan 8.360 nan 0.000 0.453 388 M N 0.009 119.498 119.600 -0.185 0.000 2.175 388 M HA -0.143 4.344 4.480 0.010 0.000 0.264 388 M C 2.399 178.461 176.300 -0.398 0.000 1.063 388 M CA 1.570 56.483 55.300 -0.646 0.000 1.119 388 M CB -0.037 32.198 32.600 -0.607 0.000 1.377 388 M HN 0.077 nan 8.290 nan 0.000 0.415 389 S N 0.263 115.848 115.700 -0.192 0.000 2.368 389 S HA -0.127 4.349 4.470 0.010 0.000 0.225 389 S C 1.969 176.511 174.600 -0.096 0.000 1.030 389 S CA 1.471 59.599 58.200 -0.122 0.000 0.999 389 S CB -0.380 62.780 63.200 -0.067 0.000 0.844 389 S HN 0.656 nan 8.310 nan 0.000 0.459 390 A N 1.166 123.944 122.820 -0.070 0.000 1.908 390 A HA -0.120 4.206 4.320 0.010 0.000 0.218 390 A C 2.225 179.789 177.584 -0.032 0.000 1.181 390 A CA 1.615 53.630 52.037 -0.037 0.000 0.627 390 A CB -0.733 18.260 19.000 -0.012 0.000 0.818 390 A HN 0.567 nan 8.150 nan 0.000 0.445 391 Q N -1.073 118.694 119.800 -0.054 0.000 2.167 391 Q HA -0.080 4.267 4.340 0.010 0.000 0.202 391 Q C 1.996 177.975 176.000 -0.035 0.000 0.970 391 Q CA 1.069 56.868 55.803 -0.007 0.000 0.855 391 Q CB -0.562 28.192 28.738 0.027 0.000 0.911 391 Q HN 0.573 nan 8.270 nan 0.000 0.438 392 L N 0.414 121.573 121.223 -0.107 0.000 2.131 392 L HA -0.060 4.286 4.340 0.010 0.000 0.206 392 L C 1.963 178.806 176.870 -0.045 0.000 1.087 392 L CA 1.633 56.432 54.840 -0.069 0.000 0.767 392 L CB -0.750 41.245 42.059 -0.106 0.000 0.917 392 L HN 0.097 nan 8.230 nan 0.000 0.441 393 T N -0.618 113.906 114.554 -0.049 0.000 2.684 393 T HA -0.146 4.210 4.350 0.010 0.000 0.267 393 T C 1.730 176.415 174.700 -0.024 0.000 1.036 393 T CA 1.375 63.451 62.100 -0.040 0.000 1.148 393 T CB -0.959 67.888 68.868 -0.035 0.000 0.863 393 T HN 0.557 nan 8.240 nan 0.000 0.436 394 G N 1.075 109.872 108.800 -0.004 0.000 2.446 394 G HA2 -0.203 3.763 3.960 0.010 0.000 0.217 394 G HA3 -0.203 3.763 3.960 0.010 0.000 0.217 394 G C 1.727 176.642 174.900 0.025 0.000 1.168 394 G CA 1.006 46.115 45.100 0.016 0.000 0.771 394 G HN 0.432 nan 8.290 nan 0.000 0.551 395 V N 0.712 120.648 119.914 0.036 0.000 2.287 395 V HA -0.163 3.963 4.120 0.010 0.000 0.248 395 V C 2.717 178.802 176.094 -0.015 0.000 1.053 395 V CA 1.747 64.077 62.300 0.050 0.000 1.027 395 V CB -0.529 31.354 31.823 0.099 0.000 0.646 395 V HN 0.357 nan 8.190 nan 0.000 0.447 396 L N 0.260 121.450 121.223 -0.055 0.000 2.042 396 L HA -0.197 4.150 4.340 0.010 0.000 0.210 396 L C 2.561 179.382 176.870 -0.081 0.000 1.076 396 L CA 1.974 56.749 54.840 -0.108 0.000 0.749 396 L CB -0.720 41.273 42.059 -0.110 0.000 0.893 396 L HN 0.199 nan 8.230 nan 0.000 0.432 397 R N -0.482 119.990 120.500 -0.047 0.000 2.091 397 R HA -0.184 4.162 4.340 0.010 0.000 0.238 397 R C 2.188 178.478 176.300 -0.017 0.000 1.136 397 R CA 1.884 57.963 56.100 -0.034 0.000 0.959 397 R CB -0.344 29.942 30.300 -0.023 0.000 0.856 397 R HN 0.540 nan 8.270 nan 0.000 0.437 398 E N -0.236 119.969 120.200 0.008 0.000 2.072 398 E HA -0.145 4.211 4.350 0.010 0.000 0.191 398 E C 2.010 178.646 176.600 0.060 0.000 0.985 398 E CA 1.232 57.660 56.400 0.048 0.000 0.801 398 E CB 0.089 29.843 29.700 0.089 0.000 0.750 398 E HN 0.100 nan 8.360 nan 0.000 0.452 399 V N 0.689 120.603 119.914 -0.000 0.000 2.270 399 V HA -0.223 3.903 4.120 0.010 0.000 0.245 399 V C 2.302 178.386 176.094 -0.018 0.000 1.043 399 V CA 1.319 63.587 62.300 -0.053 0.000 1.014 399 V CB -0.277 31.321 31.823 -0.376 0.000 0.645 399 V HN 0.131 nan 8.190 nan 0.000 0.447 400 V N 0.339 120.214 119.914 -0.064 0.000 2.295 400 V HA -0.254 3.872 4.120 0.010 0.000 0.246 400 V C 2.724 178.808 176.094 -0.016 0.000 1.049 400 V CA 1.998 64.267 62.300 -0.051 0.000 1.024 400 V CB -1.217 30.564 31.823 -0.070 0.000 0.648 400 V HN 0.557 nan 8.190 nan 0.000 0.447 401 A N -0.744 122.068 122.820 -0.013 0.000 1.908 401 A HA -0.343 3.984 4.320 0.010 0.000 0.218 401 A C 2.276 179.866 177.584 0.010 0.000 1.181 401 A CA 2.370 54.398 52.037 -0.015 0.000 0.627 401 A CB -0.566 18.419 19.000 -0.026 0.000 0.818 401 A HN 0.627 nan 8.150 nan 0.000 0.445 402 Q N -0.096 119.735 119.800 0.052 0.000 2.046 402 Q HA -0.232 4.115 4.340 0.010 0.000 0.200 402 Q C 1.447 177.487 176.000 0.066 0.000 0.975 402 Q CA 1.910 57.756 55.803 0.072 0.000 0.836 402 Q CB -0.190 28.624 28.738 0.128 0.000 0.896 402 Q HN 0.798 nan 8.270 nan 0.000 0.428 403 D N -1.098 119.356 120.400 0.091 0.000 2.317 403 D HA -0.109 4.537 4.640 0.010 0.000 0.211 403 D C 1.615 177.930 176.300 0.025 0.000 0.966 403 D CA 1.435 55.475 54.000 0.067 0.000 0.876 403 D CB -0.324 40.540 40.800 0.106 0.000 0.927 403 D HN 0.370 nan 8.370 nan 0.000 0.519 404 T N -4.369 110.190 114.554 0.009 0.000 3.037 404 T HA 0.342 4.698 4.350 0.010 0.000 0.252 404 T C 1.875 176.569 174.700 -0.010 0.000 1.073 404 T CA 0.372 62.468 62.100 -0.006 0.000 1.091 404 T CB -0.114 68.743 68.868 -0.019 0.000 0.935 404 T HN 0.374 nan 8.240 nan 0.000 0.488 405 G N 0.780 109.574 108.800 -0.010 0.000 2.143 405 G HA2 -0.179 3.787 3.960 0.010 0.000 0.248 405 G HA3 -0.179 3.787 3.960 0.010 0.000 0.248 405 G C -0.052 174.826 174.900 -0.037 0.000 0.991 405 G CA 0.044 45.134 45.100 -0.016 0.000 0.689 405 G HN 0.821 nan 8.290 nan 0.000 0.522 406 V N 0.876 120.762 119.914 -0.046 0.000 2.487 406 V HA 0.524 4.650 4.120 0.010 0.000 0.298 406 V C -1.965 174.078 176.094 -0.085 0.000 1.028 406 V CA -1.906 60.356 62.300 -0.065 0.000 0.860 406 V CB 2.214 34.007 31.823 -0.050 0.000 0.991 406 V HN 0.083 nan 8.190 nan 0.000 0.427 407 P HA 0.295 nan 4.420 nan 0.000 0.271 407 P C -0.755 176.484 177.300 -0.101 0.000 1.218 407 P CA -0.409 62.604 63.100 -0.145 0.000 0.780 407 P CB 0.439 32.002 31.700 -0.229 0.000 0.901 408 R N 2.119 122.570 120.500 -0.082 0.000 2.587 408 R HA 0.353 4.699 4.340 0.010 0.000 0.283 408 R C -2.561 173.707 176.300 -0.053 0.000 1.472 408 R CA -1.991 54.072 56.100 -0.061 0.000 1.578 408 R CB -0.141 30.130 30.300 -0.049 0.000 1.130 408 R HN 0.392 nan 8.270 nan 0.000 0.602 409 P HA 0.310 nan 4.420 nan 0.000 0.272 409 P C 0.058 177.342 177.300 -0.027 0.000 1.223 409 P CA 0.027 63.101 63.100 -0.043 0.000 0.784 409 P CB 1.264 32.936 31.700 -0.047 0.000 0.923 410 G N 0.653 109.444 108.800 -0.015 0.000 2.677 410 G HA2 0.482 4.449 3.960 0.010 0.000 0.291 410 G HA3 0.482 4.449 3.960 0.010 0.000 0.291 410 G C -2.086 172.814 174.900 -0.000 0.000 1.435 410 G CA -0.637 44.457 45.100 -0.009 0.000 0.826 410 G HN 0.537 nan 8.290 nan 0.000 0.491 411 L N 1.430 122.653 121.223 0.001 0.000 2.264 411 L HA 0.689 5.035 4.340 0.010 0.000 0.289 411 L C 0.886 177.760 176.870 0.007 0.000 1.044 411 L CA -0.413 54.432 54.840 0.008 0.000 0.807 411 L CB 1.437 43.500 42.059 0.007 0.000 1.192 411 L HN 0.568 nan 8.230 nan 0.000 0.425 412 S N 2.091 117.801 115.700 0.016 0.000 2.568 412 S HA 0.077 4.553 4.470 0.010 0.000 0.282 412 S C 1.251 175.842 174.600 -0.014 0.000 1.338 412 S CA 0.268 58.475 58.200 0.012 0.000 1.045 412 S CB 0.564 63.796 63.200 0.053 0.000 0.873 412 S HN 0.862 nan 8.310 nan 0.000 0.516 413 T N 2.535 117.064 114.554 -0.042 0.000 3.060 413 T HA 0.226 4.582 4.350 0.010 0.000 0.249 413 T C 1.341 175.960 174.700 -0.134 0.000 1.079 413 T CA -0.128 61.935 62.100 -0.062 0.000 1.013 413 T CB -0.079 68.762 68.868 -0.044 0.000 0.975 413 T HN 0.554 nan 8.240 nan 0.000 0.518 414 I N -0.821 119.615 120.570 -0.222 0.000 3.194 414 I HA 0.441 4.618 4.170 0.010 0.000 0.271 414 I C 0.182 175.962 176.117 -0.561 0.000 1.150 414 I CA -0.256 60.739 61.300 -0.508 0.000 1.440 414 I CB -0.497 36.941 38.000 -0.936 0.000 1.276 414 I HN 0.179 nan 8.210 nan 0.000 0.457 415 F N 1.252 121.066 119.950 -0.227 0.000 2.523 415 F HA 0.395 4.928 4.527 0.010 0.000 0.329 415 F C 1.182 176.917 175.800 -0.107 0.000 1.061 415 F CA -0.919 56.961 58.000 -0.200 0.000 0.967 415 F CB 1.253 40.095 39.000 -0.264 0.000 1.218 415 F HN -0.159 nan 8.300 nan 0.000 0.480 416 S N 1.498 117.285 115.700 0.146 0.000 2.589 416 S HA 0.439 4.915 4.470 0.010 0.000 0.265 416 S C -2.693 171.966 174.600 0.099 0.000 1.342 416 S CA -1.072 57.188 58.200 0.100 0.000 1.005 416 S CB 0.443 63.703 63.200 0.101 0.000 0.909 416 S HN 0.247 nan 8.310 nan 0.000 0.555 417 P HA 0.246 nan 4.420 nan 0.000 0.272 417 P C -0.415 176.937 177.300 0.086 0.000 1.230 417 P CA -0.432 62.710 63.100 0.070 0.000 0.788 417 P CB 0.211 31.947 31.700 0.060 0.000 0.949 418 S N 1.109 116.863 115.700 0.089 0.000 2.561 418 S HA -0.047 4.429 4.470 0.010 0.000 0.294 418 S C 1.349 176.018 174.600 0.114 0.000 1.294 418 S CA 0.122 58.390 58.200 0.112 0.000 1.055 418 S CB -0.004 63.263 63.200 0.111 0.000 0.819 418 S HN 0.357 nan 8.310 nan 0.000 0.503 419 R N 0.910 121.489 120.500 0.132 0.000 2.254 419 R HA 0.237 4.583 4.340 0.010 0.000 0.195 419 R C 0.815 177.185 176.300 0.117 0.000 0.957 419 R CA 0.238 56.410 56.100 0.120 0.000 1.024 419 R CB 0.246 30.623 30.300 0.129 0.000 0.952 419 R HN 0.502 nan 8.270 nan 0.000 0.484 420 S N -0.823 114.956 115.700 0.131 0.000 2.694 420 S HA 0.254 4.730 4.470 0.010 0.000 0.273 420 S C -1.328 173.338 174.600 0.110 0.000 1.180 420 S CA -0.700 57.573 58.200 0.123 0.000 0.864 420 S CB 1.325 64.599 63.200 0.124 0.000 1.198 420 S HN 0.180 nan 8.310 nan 0.000 0.499 421 T N 0.522 115.113 114.554 0.063 0.000 2.940 421 T HA 0.842 5.199 4.350 0.010 0.000 0.288 421 T C -0.754 173.946 174.700 0.001 0.000 1.033 421 T CA -0.610 61.443 62.100 -0.079 0.000 1.033 421 T CB 1.131 69.838 68.868 -0.267 0.000 1.079 421 T HN 0.790 nan 8.240 nan 0.000 0.496 422 F N -1.975 117.928 119.950 -0.080 0.000 2.613 422 F HA 0.763 5.297 4.527 0.010 0.000 0.314 422 F C 0.872 176.582 175.800 -0.150 0.000 1.075 422 F CA -0.757 57.194 58.000 -0.082 0.000 0.945 422 F CB 0.947 39.938 39.000 -0.015 0.000 1.310 422 F HN 1.002 nan 8.300 nan 0.000 0.467 423 G N 0.917 109.768 108.800 0.085 0.000 2.187 423 G HA2 -0.267 3.700 3.960 0.010 0.000 0.261 423 G HA3 -0.267 3.700 3.960 0.010 0.000 0.261 423 G C 0.486 175.168 174.900 -0.362 0.000 1.000 423 G CA 0.514 45.585 45.100 -0.049 0.000 0.718 423 G HN 0.844 nan 8.290 nan 0.000 0.519 424 V N 0.908 120.483 119.914 -0.565 0.000 2.379 424 V HA -0.025 4.101 4.120 0.010 0.000 0.245 424 V C 2.114 177.702 176.094 -0.842 0.000 1.044 424 V CA 2.541 64.168 62.300 -1.122 0.000 1.036 424 V CB -0.135 31.025 31.823 -1.104 0.000 0.664 424 V HN 0.727 nan 8.190 nan 0.000 0.453 425 D N -1.380 118.760 120.400 -0.432 0.000 2.463 425 D HA 0.092 4.738 4.640 0.010 0.000 0.224 425 D C 1.500 177.660 176.300 -0.233 0.000 1.174 425 D CA -0.041 53.787 54.000 -0.286 0.000 0.829 425 D CB -0.365 40.324 40.800 -0.185 0.000 0.993 425 D HN 0.289 nan 8.370 nan 0.000 0.497 426 L N -0.121 120.960 121.223 -0.238 0.000 1.956 426 L HA -0.177 4.169 4.340 0.010 0.000 0.216 426 L C 2.452 179.020 176.870 -0.504 0.000 1.073 426 L CA 1.180 55.868 54.840 -0.253 0.000 0.762 426 L CB -0.512 41.461 42.059 -0.145 0.000 0.889 426 L HN 0.165 nan 8.230 nan 0.000 0.433 427 L N -0.209 120.798 121.223 -0.360 0.000 2.013 427 L HA -0.222 4.124 4.340 0.010 0.000 0.212 427 L C 2.475 179.165 176.870 -0.300 0.000 1.073 427 L CA 1.672 56.306 54.840 -0.342 0.000 0.753 427 L CB -0.177 41.825 42.059 -0.095 0.000 0.890 427 L HN 0.289 nan 8.230 nan 0.000 0.432 428 V N -4.096 115.699 119.914 -0.197 0.000 2.871 428 V HA 0.035 4.161 4.120 0.010 0.000 0.256 428 V C 2.364 178.381 176.094 -0.129 0.000 1.082 428 V CA 1.101 63.327 62.300 -0.124 0.000 1.105 428 V CB -0.892 30.877 31.823 -0.089 0.000 0.713 428 V HN 0.329 nan 8.190 nan 0.000 0.473 429 A N 0.254 122.967 122.820 -0.178 0.000 1.972 429 A HA -0.200 4.126 4.320 0.010 0.000 0.219 429 A C 1.936 179.491 177.584 -0.048 0.000 1.169 429 A CA 1.938 53.898 52.037 -0.128 0.000 0.635 429 A CB -1.148 17.816 19.000 -0.060 0.000 0.810 429 A HN 0.791 nan 8.150 nan 0.000 0.446 430 H N -0.249 118.825 119.070 0.006 0.000 2.390 430 H HA -0.122 4.440 4.556 0.010 0.000 0.298 430 H C 2.348 177.699 175.328 0.038 0.000 1.106 430 H CA 1.511 57.591 56.048 0.053 0.000 1.297 430 H CB -0.099 29.695 29.762 0.054 0.000 1.375 430 H HN 0.691 nan 8.280 nan 0.000 0.509 431 T N -1.651 112.981 114.554 0.130 0.000 3.160 431 T HA -0.071 4.285 4.350 0.010 0.000 0.257 431 T C 1.225 175.992 174.700 0.110 0.000 1.147 431 T CA 0.690 62.887 62.100 0.162 0.000 1.064 431 T CB 0.021 68.932 68.868 0.071 0.000 0.949 431 T HN 0.193 nan 8.240 nan 0.000 0.526 432 D N 1.729 122.048 120.400 -0.135 0.000 2.263 432 D HA -0.058 4.589 4.640 0.010 0.000 0.208 432 D C 2.173 178.381 176.300 -0.153 0.000 0.971 432 D CA 0.620 54.434 54.000 -0.310 0.000 0.867 432 D CB -0.279 39.995 40.800 -0.877 0.000 0.929 432 D HN 0.411 nan 8.370 nan 0.000 0.492 433 V N 0.234 120.144 119.914 -0.006 0.000 2.453 433 V HA -0.306 3.821 4.120 0.010 0.000 0.252 433 V C 1.959 178.098 176.094 0.076 0.000 1.068 433 V CA 1.387 63.733 62.300 0.077 0.000 1.070 433 V CB -1.097 30.755 31.823 0.048 0.000 0.664 433 V HN 0.190 nan 8.190 nan 0.000 0.461 434 Y N -0.488 119.851 120.300 0.064 0.000 2.224 434 Y HA -0.139 4.417 4.550 0.011 0.000 0.289 434 Y C 2.348 178.390 175.900 0.238 0.000 1.146 434 Y CA 1.665 59.849 58.100 0.141 0.000 1.182 434 Y CB -0.112 38.384 38.460 0.060 0.000 0.983 434 Y HN 0.155 nan 8.280 nan 0.000 0.524 435 L N -0.092 121.297 121.223 0.277 0.000 2.034 435 L HA -0.174 4.172 4.340 0.010 0.000 0.203 435 L C 1.722 178.688 176.870 0.160 0.000 1.074 435 L CA 2.287 57.247 54.840 0.200 0.000 0.748 435 L CB -0.342 41.770 42.059 0.089 0.000 0.905 435 L HN 0.353 nan 8.230 nan 0.000 0.439 436 D N -2.461 117.907 120.400 -0.054 0.000 2.392 436 D HA 0.088 4.734 4.640 0.010 0.000 0.206 436 D C 1.386 177.311 176.300 -0.625 0.000 1.046 436 D CA 0.791 54.683 54.000 -0.181 0.000 0.865 436 D CB 0.320 41.122 40.800 0.003 0.000 0.969 436 D HN 0.347 nan 8.370 nan 0.000 0.509 437 G N -0.109 108.127 108.800 -0.940 0.000 2.184 437 G HA2 -0.346 3.620 3.960 0.010 0.000 0.264 437 G HA3 -0.346 3.620 3.960 0.010 0.000 0.264 437 G C 0.131 174.900 174.900 -0.218 0.000 0.975 437 G CA 0.305 44.944 45.100 -0.768 0.000 0.642 437 G HN 0.471 nan 8.290 nan 0.000 0.536 438 Q N -0.200 119.534 119.800 -0.110 0.000 2.394 438 Q HA 0.491 4.837 4.340 0.010 0.000 0.248 438 Q C 0.660 176.626 176.000 -0.056 0.000 0.992 438 Q CA -0.463 55.290 55.803 -0.083 0.000 0.888 438 Q CB 1.623 30.275 28.738 -0.143 0.000 1.257 438 Q HN 0.167 nan 8.270 nan 0.000 0.462 439 V N 3.137 122.974 119.914 -0.129 0.000 2.529 439 V HA -0.064 4.062 4.120 0.010 0.000 0.292 439 V C 0.024 175.974 176.094 -0.240 0.000 1.028 439 V CA 0.553 62.789 62.300 -0.107 0.000 1.074 439 V CB -0.173 31.596 31.823 -0.089 0.000 0.958 439 V HN 0.650 nan 8.190 nan 0.000 0.481 440 H N 4.589 123.666 119.070 0.012 0.000 2.675 440 H HA 0.499 5.061 4.556 0.010 0.000 0.258 440 H C 0.103 175.481 175.328 0.083 0.000 1.271 440 H CA -0.171 55.915 56.048 0.062 0.000 1.462 440 H CB 1.515 31.331 29.762 0.090 0.000 1.467 440 H HN 0.685 nan 8.280 nan 0.000 0.501 441 A N 3.345 126.227 122.820 0.103 0.000 3.113 441 A HA 0.246 4.573 4.320 0.010 0.000 0.307 441 A C 0.177 177.839 177.584 0.131 0.000 1.025 441 A CA -0.641 51.418 52.037 0.038 0.000 1.012 441 A CB -0.037 18.945 19.000 -0.031 0.000 1.085 441 A HN 0.418 nan 8.150 nan 0.000 0.519 442 E N 1.041 121.407 120.200 0.278 0.000 2.415 442 E HA 0.281 4.637 4.350 0.010 0.000 0.263 442 E C -0.174 176.556 176.600 0.216 0.000 0.995 442 E CA 0.893 57.417 56.400 0.206 0.000 0.915 442 E CB 0.441 30.236 29.700 0.159 0.000 0.951 442 E HN 0.375 nan 8.360 nan 0.000 0.449 443 K N 1.822 122.294 120.400 0.120 0.000 2.318 443 K HA 0.384 4.711 4.320 0.010 0.000 0.249 443 K C -1.129 175.512 176.600 0.067 0.000 0.942 443 K CA -1.041 55.304 56.287 0.097 0.000 0.808 443 K CB 1.223 33.766 32.500 0.071 0.000 1.189 443 K HN 0.314 nan 8.250 nan 0.000 0.428 444 L N 2.558 123.818 121.223 0.060 0.000 2.559 444 L HA 0.116 4.462 4.340 0.010 0.000 0.274 444 L C -0.374 176.511 176.870 0.025 0.000 1.205 444 L CA 1.096 55.965 54.840 0.050 0.000 0.907 444 L CB -0.044 42.053 42.059 0.064 0.000 1.153 444 L HN 0.792 nan 8.230 nan 0.000 0.490 445 T N 1.945 116.510 114.554 0.019 0.000 2.885 445 T HA 0.688 5.045 4.350 0.010 0.000 0.285 445 T C 0.984 175.678 174.700 -0.010 0.000 1.019 445 T CA -0.357 61.754 62.100 0.018 0.000 1.010 445 T CB 1.598 70.484 68.868 0.031 0.000 1.022 445 T HN 0.701 nan 8.240 nan 0.000 0.466 446 A N 2.086 124.915 122.820 0.015 0.000 1.940 446 A HA -0.144 4.183 4.320 0.010 0.000 0.219 446 A C 2.262 179.846 177.584 -0.000 0.000 1.176 446 A CA 1.843 53.885 52.037 0.009 0.000 0.631 446 A CB -1.153 17.896 19.000 0.082 0.000 0.814 446 A HN 0.999 nan 8.150 nan 0.000 0.446 447 N N -0.481 118.232 118.700 0.021 0.000 2.120 447 N HA -0.222 4.524 4.740 0.010 0.000 0.188 447 N C 1.852 177.380 175.510 0.032 0.000 1.024 447 N CA 1.593 54.661 53.050 0.030 0.000 0.852 447 N CB -0.207 38.301 38.487 0.035 0.000 1.003 447 N HN 0.703 nan 8.380 nan 0.000 0.424 448 E N 0.477 120.693 120.200 0.027 0.000 2.072 448 E HA -0.125 4.231 4.350 0.010 0.000 0.191 448 E C 2.205 178.836 176.600 0.051 0.000 0.985 448 E CA 0.790 57.224 56.400 0.057 0.000 0.801 448 E CB 0.015 29.761 29.700 0.078 0.000 0.750 448 E HN 0.450 nan 8.360 nan 0.000 0.452 449 I N 0.397 120.905 120.570 -0.104 0.000 2.179 449 I HA -0.263 3.913 4.170 0.010 0.000 0.242 449 I C 2.423 178.493 176.117 -0.079 0.000 1.088 449 I CA 0.707 61.811 61.300 -0.327 0.000 1.357 449 I CB -0.269 37.401 38.000 -0.550 0.000 1.051 449 I HN 0.054 nan 8.210 nan 0.000 0.409 450 V N 1.170 121.078 119.914 -0.011 0.000 2.332 450 V HA -0.287 3.840 4.120 0.010 0.000 0.248 450 V C 2.682 178.850 176.094 0.124 0.000 1.055 450 V CA 2.630 64.972 62.300 0.070 0.000 1.038 450 V CB -1.082 30.786 31.823 0.075 0.000 0.651 450 V HN 0.654 nan 8.190 nan 0.000 0.450 451 T N -1.802 112.818 114.554 0.111 0.000 2.995 451 T HA 0.044 4.400 4.350 0.010 0.000 0.269 451 T C 1.714 176.506 174.700 0.152 0.000 1.091 451 T CA 1.123 63.298 62.100 0.126 0.000 1.128 451 T CB -0.155 68.773 68.868 0.100 0.000 0.891 451 T HN 0.446 nan 8.240 nan 0.000 0.492 452 A N 0.878 123.806 122.820 0.180 0.000 2.081 452 A HA 0.472 4.799 4.320 0.010 0.000 0.214 452 A C 1.110 178.839 177.584 0.242 0.000 1.158 452 A CA -0.176 51.999 52.037 0.230 0.000 0.724 452 A CB -0.418 18.799 19.000 0.361 0.000 0.826 452 A HN 0.525 nan 8.150 nan 0.000 0.463 453 L N 1.390 122.753 121.223 0.234 0.000 2.483 453 L HA 0.079 4.426 4.340 0.010 0.000 0.276 453 L C 0.559 177.583 176.870 0.258 0.000 1.213 453 L CA -0.510 54.483 54.840 0.254 0.000 0.843 453 L CB 0.665 42.891 42.059 0.278 0.000 1.107 453 L HN 0.167 nan 8.230 nan 0.000 0.487 454 S N 1.199 117.024 115.700 0.208 0.000 2.566 454 S HA 0.253 4.729 4.470 0.010 0.000 0.280 454 S C -0.139 174.615 174.600 0.258 0.000 1.343 454 S CA -0.742 57.557 58.200 0.165 0.000 1.036 454 S CB 1.075 64.288 63.200 0.022 0.000 0.866 454 S HN 0.457 nan 8.310 nan 0.000 0.526 455 V N -0.717 119.334 119.914 0.229 0.000 2.960 455 V HA 0.691 4.818 4.120 0.010 0.000 0.315 455 V C -3.045 173.093 176.094 0.073 0.000 1.087 455 V CA -3.208 59.214 62.300 0.203 0.000 0.982 455 V CB 1.167 33.150 31.823 0.267 0.000 1.039 455 V HN 0.525 nan 8.190 nan 0.000 0.437 456 P HA 0.282 nan 4.420 nan 0.000 0.268 456 P C -0.266 176.951 177.300 -0.138 0.000 1.204 456 P CA -0.035 62.877 63.100 -0.313 0.000 0.768 456 P CB 0.302 31.732 31.700 -0.451 0.000 0.842 457 L N 2.836 123.970 121.223 -0.148 0.000 2.485 457 L HA 0.077 4.423 4.340 0.010 0.000 0.275 457 L C 0.472 177.309 176.870 -0.056 0.000 1.207 457 L CA -0.425 54.373 54.840 -0.069 0.000 0.855 457 L CB 0.178 42.197 42.059 -0.067 0.000 1.114 457 L HN 0.142 nan 8.230 nan 0.000 0.485 458 V N 1.943 121.842 119.914 -0.025 0.000 2.655 458 V HA -0.049 4.078 4.120 0.010 0.000 0.300 458 V C 0.424 176.509 176.094 -0.015 0.000 1.044 458 V CA -0.213 62.075 62.300 -0.021 0.000 1.095 458 V CB 1.056 32.875 31.823 -0.007 0.000 0.952 458 V HN 0.669 nan 8.190 nan 0.000 0.485 459 D N 7.473 127.864 120.400 -0.015 0.000 2.358 459 D HA 0.120 4.767 4.640 0.010 0.000 0.258 459 D C -1.264 175.043 176.300 0.011 0.000 1.223 459 D CA -1.842 52.161 54.000 0.004 0.000 0.886 459 D CB 1.728 42.531 40.800 0.006 0.000 1.120 459 D HN 0.298 nan 8.370 nan 0.000 0.482 460 P HA -0.065 nan 4.420 nan 0.000 0.237 460 P C 0.916 178.230 177.300 0.025 0.000 1.178 460 P CA 0.709 63.820 63.100 0.019 0.000 0.766 460 P CB -0.019 31.692 31.700 0.020 0.000 0.876 461 T N -5.057 109.512 114.554 0.025 0.000 3.107 461 T HA 0.035 4.392 4.350 0.010 0.000 0.249 461 T C 0.664 175.381 174.700 0.028 0.000 1.096 461 T CA -0.306 61.810 62.100 0.027 0.000 1.012 461 T CB -0.465 68.419 68.868 0.028 0.000 0.977 461 T HN -0.014 nan 8.240 nan 0.000 0.527 462 D N 1.154 121.571 120.400 0.027 0.000 2.372 462 D HA 0.059 4.705 4.640 0.010 0.000 0.243 462 D C 1.480 177.815 176.300 0.058 0.000 1.121 462 D CA -0.154 53.866 54.000 0.033 0.000 0.898 462 D CB 1.893 42.704 40.800 0.019 0.000 1.202 462 D HN 0.004 nan 8.370 nan 0.000 0.428 463 V N 3.305 123.269 119.914 0.082 0.000 2.469 463 V HA -0.197 3.929 4.120 0.010 0.000 0.251 463 V C 2.028 178.266 176.094 0.240 0.000 1.064 463 V CA 2.064 64.445 62.300 0.134 0.000 1.066 463 V CB -0.736 31.170 31.823 0.138 0.000 0.667 463 V HN 0.664 nan 8.190 nan 0.000 0.461 464 A N -0.530 122.403 122.820 0.188 0.000 2.307 464 A HA 0.545 4.871 4.320 0.010 0.000 0.218 464 A C 2.189 179.785 177.584 0.019 0.000 1.228 464 A CA 0.787 52.877 52.037 0.088 0.000 0.857 464 A CB -0.305 18.641 19.000 -0.091 0.000 0.897 464 A HN 0.469 nan 8.150 nan 0.000 0.495 465 A N -0.117 122.731 122.820 0.046 0.000 1.940 465 A HA -0.096 4.230 4.320 0.010 0.000 0.219 465 A C 2.390 179.986 177.584 0.019 0.000 1.176 465 A CA 2.128 54.178 52.037 0.022 0.000 0.631 465 A CB -0.644 18.372 19.000 0.027 0.000 0.814 465 A HN 0.424 nan 8.150 nan 0.000 0.446 466 S N -0.580 115.144 115.700 0.041 0.000 2.348 466 S HA -0.151 4.325 4.470 0.010 0.000 0.221 466 S C 2.094 176.703 174.600 0.015 0.000 1.033 466 S CA 1.715 59.937 58.200 0.037 0.000 1.010 466 S CB -0.700 62.537 63.200 0.062 0.000 0.891 466 S HN 0.886 nan 8.310 nan 0.000 0.442 467 V N 0.506 120.418 119.914 -0.003 0.000 2.515 467 V HA -0.036 4.091 4.120 0.010 0.000 0.250 467 V C 1.872 177.924 176.094 -0.070 0.000 1.058 467 V CA 1.472 63.738 62.300 -0.057 0.000 1.064 467 V CB -0.997 30.727 31.823 -0.166 0.000 0.675 467 V HN 0.410 nan 8.190 nan 0.000 0.461 468 L N -0.375 120.808 121.223 -0.067 0.000 2.179 468 L HA -0.054 4.292 4.340 0.010 0.000 0.208 468 L C 2.749 179.606 176.870 -0.022 0.000 1.096 468 L CA 1.547 56.356 54.840 -0.052 0.000 0.779 468 L CB -0.540 41.490 42.059 -0.048 0.000 0.922 468 L HN 0.390 nan 8.230 nan 0.000 0.443 469 Q N 0.628 120.422 119.800 -0.010 0.000 2.172 469 Q HA -0.076 4.270 4.340 0.010 0.000 0.200 469 Q C 2.162 178.163 176.000 0.001 0.000 0.964 469 Q CA 1.722 57.525 55.803 0.001 0.000 0.855 469 Q CB -0.166 28.577 28.738 0.008 0.000 0.918 469 Q HN 0.388 nan 8.270 nan 0.000 0.444 470 A N -1.061 121.758 122.820 -0.003 0.000 2.067 470 A HA -0.097 4.229 4.320 0.010 0.000 0.219 470 A C 2.146 179.727 177.584 -0.005 0.000 1.158 470 A CA 1.753 53.789 52.037 -0.001 0.000 0.661 470 A CB -0.691 18.308 19.000 -0.002 0.000 0.801 470 A HN 0.379 nan 8.150 nan 0.000 0.452 471 T N -1.338 113.209 114.554 -0.013 0.000 3.107 471 T HA 0.129 4.485 4.350 0.010 0.000 0.249 471 T C 1.451 176.150 174.700 -0.002 0.000 1.096 471 T CA 0.752 62.844 62.100 -0.014 0.000 1.012 471 T CB -0.333 68.516 68.868 -0.032 0.000 0.977 471 T HN 0.106 nan 8.240 nan 0.000 0.527 472 V N 1.002 120.919 119.914 0.005 0.000 2.594 472 V HA 0.015 4.141 4.120 0.010 0.000 0.253 472 V C 1.846 177.953 176.094 0.021 0.000 1.069 472 V CA 1.580 63.889 62.300 0.015 0.000 1.082 472 V CB -0.180 31.653 31.823 0.016 0.000 0.680 472 V HN 0.542 nan 8.190 nan 0.000 0.469 473 L N -0.858 120.375 121.223 0.017 0.000 2.640 473 L HA 0.215 4.561 4.340 0.010 0.000 0.230 473 L C 0.894 177.776 176.870 0.019 0.000 1.123 473 L CA -0.083 54.769 54.840 0.020 0.000 0.900 473 L CB 0.171 42.240 42.059 0.018 0.000 1.146 473 L HN 0.146 nan 8.230 nan 0.000 0.484 474 S N 1.254 116.963 115.700 0.014 0.000 2.510 474 S HA 0.137 4.613 4.470 0.010 0.000 0.279 474 S C 0.358 174.968 174.600 0.016 0.000 1.284 474 S CA -0.515 57.692 58.200 0.011 0.000 1.059 474 S CB 0.650 63.852 63.200 0.003 0.000 0.901 474 S HN 0.169 nan 8.310 nan 0.000 0.491 475 Q N 2.945 122.755 119.800 0.017 0.000 2.540 475 Q HA 0.019 4.365 4.340 0.010 0.000 0.256 475 Q C -1.520 174.490 176.000 0.016 0.000 1.084 475 Q CA -1.171 54.645 55.803 0.020 0.000 0.956 475 Q CB -0.582 28.167 28.738 0.019 0.000 1.303 475 Q HN 0.342 nan 8.270 nan 0.000 0.509 476 P HA -0.202 nan 4.420 nan 0.000 0.214 476 P C 1.499 178.801 177.300 0.003 0.000 1.169 476 P CA 1.170 64.278 63.100 0.013 0.000 0.908 476 P CB 0.082 31.794 31.700 0.020 0.000 0.791 477 V N -0.551 119.365 119.914 0.004 0.000 2.332 477 V HA -0.268 3.858 4.120 0.010 0.000 0.248 477 V C 2.675 178.766 176.094 -0.004 0.000 1.055 477 V CA 2.098 64.397 62.300 -0.001 0.000 1.038 477 V CB -1.303 30.521 31.823 0.001 0.000 0.651 477 V HN 0.127 nan 8.190 nan 0.000 0.450 478 Q N 0.280 120.079 119.800 -0.002 0.000 2.119 478 Q HA -0.158 4.189 4.340 0.010 0.000 0.201 478 Q C 2.161 178.155 176.000 -0.010 0.000 0.972 478 Q CA 2.435 58.236 55.803 -0.004 0.000 0.847 478 Q CB -0.749 27.989 28.738 0.000 0.000 0.903 478 Q HN 0.645 nan 8.270 nan 0.000 0.433 479 T N 1.124 115.672 114.554 -0.010 0.000 2.622 479 T HA -0.162 4.195 4.350 0.010 0.000 0.266 479 T C 1.741 176.425 174.700 -0.028 0.000 1.047 479 T CA 1.647 63.735 62.100 -0.019 0.000 1.159 479 T CB -0.451 68.408 68.868 -0.015 0.000 0.863 479 T HN 0.254 nan 8.240 nan 0.000 0.422 480 L N 0.805 122.014 121.223 -0.023 0.000 2.013 480 L HA -0.191 4.155 4.340 0.010 0.000 0.212 480 L C 2.536 179.393 176.870 -0.021 0.000 1.073 480 L CA 1.446 56.271 54.840 -0.025 0.000 0.753 480 L CB -0.708 41.339 42.059 -0.020 0.000 0.890 480 L HN 0.197 nan 8.230 nan 0.000 0.432 481 D N -0.557 119.832 120.400 -0.017 0.000 2.097 481 D HA -0.139 4.507 4.640 0.010 0.000 0.195 481 D C 2.433 178.723 176.300 -0.015 0.000 0.989 481 D CA 1.353 55.344 54.000 -0.015 0.000 0.827 481 D CB -0.102 40.690 40.800 -0.014 0.000 0.966 481 D HN 0.112 nan 8.370 nan 0.000 0.456 482 S N -0.076 115.611 115.700 -0.021 0.000 2.368 482 S HA -0.037 4.439 4.470 0.010 0.000 0.225 482 S C 2.110 176.683 174.600 -0.044 0.000 1.030 482 S CA 0.498 58.682 58.200 -0.027 0.000 0.999 482 S CB -0.125 63.057 63.200 -0.031 0.000 0.844 482 S HN 0.235 nan 8.310 nan 0.000 0.459 483 L N 0.758 121.947 121.223 -0.057 0.000 2.072 483 L HA -0.007 4.339 4.340 0.010 0.000 0.205 483 L C 2.730 179.571 176.870 -0.047 0.000 1.079 483 L CA 1.112 55.897 54.840 -0.092 0.000 0.752 483 L CB -0.410 41.589 42.059 -0.100 0.000 0.906 483 L HN 0.243 nan 8.230 nan 0.000 0.436 484 R N 0.363 120.864 120.500 0.002 0.000 2.092 484 R HA -0.125 4.221 4.340 0.010 0.000 0.231 484 R C 2.326 178.714 176.300 0.145 0.000 1.119 484 R CA 1.239 57.388 56.100 0.083 0.000 0.970 484 R CB -0.126 30.214 30.300 0.066 0.000 0.864 484 R HN 0.307 nan 8.270 nan 0.000 0.440 485 A N 0.930 123.788 122.820 0.063 0.000 1.858 485 A HA -0.095 4.231 4.320 0.010 0.000 0.216 485 A C 2.375 180.018 177.584 0.099 0.000 1.190 485 A CA 1.642 53.719 52.037 0.068 0.000 0.617 485 A CB -0.892 18.123 19.000 0.024 0.000 0.827 485 A HN 0.508 nan 8.150 nan 0.000 0.443 486 A N -0.620 122.228 122.820 0.046 0.000 1.978 486 A HA -0.197 4.129 4.320 0.010 0.000 0.220 486 A C 2.226 179.892 177.584 0.136 0.000 1.170 486 A CA 1.913 53.980 52.037 0.050 0.000 0.636 486 A CB -0.443 18.481 19.000 -0.127 0.000 0.810 486 A HN 0.539 nan 8.150 nan 0.000 0.448 487 R N -1.340 119.212 120.500 0.087 0.000 2.115 487 R HA -0.043 4.303 4.340 0.010 0.000 0.226 487 R C 1.180 177.511 176.300 0.052 0.000 1.100 487 R CA 0.995 57.154 56.100 0.098 0.000 0.980 487 R CB -0.203 30.111 30.300 0.024 0.000 0.875 487 R HN 0.661 nan 8.270 nan 0.000 0.445 488 H N -0.271 118.838 119.070 0.065 0.000 2.592 488 H HA 0.186 4.748 4.556 0.010 0.000 0.291 488 H C 0.477 175.836 175.328 0.053 0.000 1.052 488 H CA 0.627 56.704 56.048 0.048 0.000 1.175 488 H CB 0.185 29.963 29.762 0.026 0.000 1.378 488 H HN 0.464 nan 8.280 nan 0.000 0.576 498 F N 1.372 121.302 119.950 -0.034 0.000 2.639 498 F HA 0.235 4.768 4.527 0.010 0.000 0.302 498 F C 2.202 177.975 175.800 -0.044 0.000 1.097 498 F CA -0.325 57.654 58.000 -0.035 0.000 1.294 498 F CB 0.303 39.283 39.000 -0.033 0.000 1.027 498 F HN 0.175 nan 8.300 nan 0.000 0.550 499 S N 0.474 116.206 115.700 0.052 0.000 2.378 499 S HA -0.237 4.239 4.470 0.010 0.000 0.229 499 S C 1.913 176.522 174.600 0.015 0.000 1.052 499 S CA 1.942 60.152 58.200 0.015 0.000 1.084 499 S CB -0.170 63.017 63.200 -0.022 0.000 0.950 499 S HN 0.369 nan 8.310 nan 0.000 0.440 500 E N 1.186 121.393 120.200 0.011 0.000 2.427 500 E HA 0.107 4.463 4.350 0.010 0.000 0.196 500 E C 0.874 177.483 176.600 0.014 0.000 1.028 500 E CA -0.008 56.394 56.400 0.003 0.000 0.864 500 E CB -0.350 29.347 29.700 -0.005 0.000 0.813 500 E HN 0.361 nan 8.360 nan 0.000 0.514 501 S N 0.443 116.173 115.700 0.050 0.000 2.537 501 S HA 0.067 4.543 4.470 0.010 0.000 0.286 501 S C 1.264 175.864 174.600 -0.000 0.000 1.299 501 S CA -0.407 57.822 58.200 0.048 0.000 1.067 501 S CB 0.861 64.122 63.200 0.103 0.000 0.864 501 S HN -0.104 nan 8.310 nan 0.000 0.494 502 V N 5.107 125.010 119.914 -0.018 0.000 2.825 502 V HA 0.062 4.188 4.120 0.010 0.000 0.246 502 V C 2.313 178.376 176.094 -0.052 0.000 1.068 502 V CA 0.838 63.110 62.300 -0.047 0.000 1.088 502 V CB -0.479 31.309 31.823 -0.058 0.000 0.733 502 V HN 0.779 nan 8.190 nan 0.000 0.468 503 E N 0.251 120.427 120.200 -0.040 0.000 2.158 503 E HA -0.097 4.260 4.350 0.010 0.000 0.191 503 E C 2.120 178.683 176.600 -0.061 0.000 0.982 503 E CA 0.740 57.113 56.400 -0.044 0.000 0.823 503 E CB -0.070 29.610 29.700 -0.033 0.000 0.766 503 E HN 0.510 nan 8.360 nan 0.000 0.468 504 L N 1.301 122.482 121.223 -0.070 0.000 1.970 504 L HA -0.140 4.206 4.340 0.010 0.000 0.212 504 L C -0.782 176.029 176.870 -0.099 0.000 1.071 504 L CA 1.804 56.579 54.840 -0.108 0.000 0.751 504 L CB -1.016 40.953 42.059 -0.150 0.000 0.889 504 L HN 0.081 nan 8.230 nan 0.000 0.432 505 P HA -0.180 nan 4.420 nan 0.000 0.216 505 P C 1.954 179.179 177.300 -0.124 0.000 1.150 505 P CA 1.474 64.518 63.100 -0.094 0.000 0.837 505 P CB -0.021 31.629 31.700 -0.083 0.000 0.786 506 L N -2.123 119.029 121.223 -0.117 0.000 2.083 506 L HA -0.146 4.200 4.340 0.010 0.000 0.209 506 L C 2.446 179.159 176.870 -0.261 0.000 1.083 506 L CA 1.266 56.008 54.840 -0.164 0.000 0.752 506 L CB -0.639 41.404 42.059 -0.027 0.000 0.899 506 L HN 0.005 nan 8.230 nan 0.000 0.433 507 M N -0.025 119.487 119.600 -0.146 0.000 2.229 507 M HA -0.180 4.306 4.480 0.010 0.000 0.264 507 M C 1.935 178.149 176.300 -0.142 0.000 1.063 507 M CA 1.715 56.941 55.300 -0.123 0.000 1.114 507 M CB -0.220 32.336 32.600 -0.075 0.000 1.387 507 M HN 0.118 nan 8.290 nan 0.000 0.420 508 E N -1.200 118.917 120.200 -0.139 0.000 2.047 508 E HA -0.154 4.203 4.350 0.010 0.000 0.191 508 E C 1.934 178.451 176.600 -0.139 0.000 0.987 508 E CA 1.518 57.850 56.400 -0.113 0.000 0.799 508 E CB -0.255 29.392 29.700 -0.088 0.000 0.752 508 E HN 0.330 nan 8.360 nan 0.000 0.449 509 V N 1.595 121.386 119.914 -0.205 0.000 2.252 509 V HA -0.345 3.782 4.120 0.010 0.000 0.249 509 V C 2.497 178.409 176.094 -0.304 0.000 1.056 509 V CA 2.264 64.410 62.300 -0.257 0.000 1.022 509 V CB -0.626 30.988 31.823 -0.349 0.000 0.641 509 V HN 0.270 nan 8.190 nan 0.000 0.445 510 R N 0.187 120.404 120.500 -0.471 0.000 2.103 510 R HA -0.236 4.110 4.340 0.010 0.000 0.242 510 R C 2.235 178.508 176.300 -0.046 0.000 1.142 510 R CA 2.023 57.985 56.100 -0.231 0.000 0.960 510 R CB -0.452 29.796 30.300 -0.087 0.000 0.858 510 R HN 0.513 nan 8.270 nan 0.000 0.439 511 A N 0.868 123.651 122.820 -0.062 0.000 1.872 511 A HA -0.078 4.248 4.320 0.010 0.000 0.214 511 A C 2.241 179.818 177.584 -0.012 0.000 1.187 511 A CA 1.012 53.038 52.037 -0.018 0.000 0.614 511 A CB -0.453 18.531 19.000 -0.027 0.000 0.826 511 A HN 0.338 nan 8.150 nan 0.000 0.442 512 L N -0.491 120.712 121.223 -0.033 0.000 2.046 512 L HA -0.183 4.163 4.340 0.010 0.000 0.208 512 L C 2.549 179.418 176.870 -0.000 0.000 1.077 512 L CA 1.060 55.889 54.840 -0.019 0.000 0.747 512 L CB -0.489 41.552 42.059 -0.031 0.000 0.896 512 L HN 0.372 nan 8.230 nan 0.000 0.432 513 L N -0.622 120.604 121.223 0.004 0.000 2.046 513 L HA -0.246 4.100 4.340 0.010 0.000 0.208 513 L C 2.110 179.013 176.870 0.055 0.000 1.077 513 L CA 1.081 55.945 54.840 0.039 0.000 0.747 513 L CB -0.614 41.490 42.059 0.075 0.000 0.896 513 L HN 0.260 nan 8.230 nan 0.000 0.432 514 D N -0.022 120.414 120.400 0.059 0.000 2.218 514 D HA -0.128 4.519 4.640 0.010 0.000 0.204 514 D C 2.099 178.426 176.300 0.046 0.000 0.976 514 D CA 1.163 55.202 54.000 0.065 0.000 0.853 514 D CB 0.020 40.861 40.800 0.067 0.000 0.939 514 D HN 0.287 nan 8.370 nan 0.000 0.481 515 L N -1.472 119.770 121.223 0.032 0.000 2.585 515 L HA 0.244 4.591 4.340 0.010 0.000 0.226 515 L C 1.630 178.514 176.870 0.022 0.000 1.113 515 L CA 0.386 55.241 54.840 0.024 0.000 0.876 515 L CB 0.350 42.418 42.059 0.015 0.000 1.072 515 L HN 0.137 nan 8.230 nan 0.000 0.468 516 G N -0.411 108.404 108.800 0.025 0.000 2.175 516 G HA2 -0.244 3.722 3.960 0.010 0.000 0.244 516 G HA3 -0.244 3.722 3.960 0.010 0.000 0.244 516 G C -0.039 174.870 174.900 0.014 0.000 0.982 516 G CA 0.022 45.135 45.100 0.022 0.000 0.641 516 G HN 0.321 nan 8.290 nan 0.000 0.527 517 D N 1.003 121.409 120.400 0.010 0.000 2.600 517 D HA 0.313 4.959 4.640 0.010 0.000 0.226 517 D C 1.563 177.865 176.300 0.003 0.000 1.119 517 D CA 0.358 54.360 54.000 0.004 0.000 1.051 517 D CB 0.925 41.725 40.800 -0.000 0.000 1.106 517 D HN 0.212 nan 8.370 nan 0.000 0.491 518 V N 1.526 121.444 119.914 0.006 0.000 2.427 518 V HA -0.231 3.895 4.120 0.010 0.000 0.248 518 V C 2.012 178.109 176.094 0.004 0.000 1.051 518 V CA 2.181 64.485 62.300 0.007 0.000 1.048 518 V CB 0.031 31.858 31.823 0.006 0.000 0.666 518 V HN 0.436 nan 8.190 nan 0.000 0.456 519 A N -0.059 122.762 122.820 0.002 0.000 1.845 519 A HA -0.252 4.075 4.320 0.010 0.000 0.215 519 A C 2.214 179.799 177.584 0.002 0.000 1.195 519 A CA 2.204 54.242 52.037 0.002 0.000 0.616 519 A CB -0.688 18.312 19.000 -0.000 0.000 0.832 519 A HN 0.578 nan 8.150 nan 0.000 0.443 520 K N -0.306 120.093 120.400 -0.002 0.000 2.059 520 K HA -0.183 4.144 4.320 0.010 0.000 0.212 520 K C 2.270 178.864 176.600 -0.010 0.000 1.050 520 K CA 1.463 57.746 56.287 -0.006 0.000 0.927 520 K CB -0.399 32.096 32.500 -0.008 0.000 0.714 520 K HN 0.474 nan 8.250 nan 0.000 0.447 521 A N 0.949 123.763 122.820 -0.010 0.000 1.877 521 A HA -0.195 4.131 4.320 0.010 0.000 0.216 521 A C 2.279 179.864 177.584 0.001 0.000 1.186 521 A CA 2.357 54.385 52.037 -0.016 0.000 0.620 521 A CB -1.165 17.828 19.000 -0.013 0.000 0.822 521 A HN 0.508 nan 8.150 nan 0.000 0.443 522 T N -1.979 112.585 114.554 0.018 0.000 2.777 522 T HA -0.106 4.250 4.350 0.010 0.000 0.266 522 T C 2.000 176.723 174.700 0.039 0.000 1.040 522 T CA 1.064 63.191 62.100 0.045 0.000 1.141 522 T CB -0.327 68.568 68.868 0.045 0.000 0.868 522 T HN 0.456 nan 8.240 nan 0.000 0.444 523 R N 1.172 121.682 120.500 0.017 0.000 2.094 523 R HA -0.104 4.242 4.340 0.010 0.000 0.239 523 R C 2.699 178.992 176.300 -0.012 0.000 1.137 523 R CA 1.909 58.013 56.100 0.006 0.000 0.943 523 R CB -0.306 29.994 30.300 -0.000 0.000 0.850 523 R HN 0.393 nan 8.270 nan 0.000 0.433 524 K N 0.596 120.982 120.400 -0.022 0.000 2.044 524 K HA -0.151 4.176 4.320 0.010 0.000 0.210 524 K C 2.165 178.724 176.600 -0.068 0.000 1.049 524 K CA 1.289 57.549 56.287 -0.046 0.000 0.927 524 K CB -0.132 32.337 32.500 -0.051 0.000 0.713 524 K HN 0.133 nan 8.250 nan 0.000 0.443 525 L N 0.758 121.952 121.223 -0.048 0.000 2.017 525 L HA -0.248 4.098 4.340 0.010 0.000 0.208 525 L C 1.871 178.628 176.870 -0.188 0.000 1.073 525 L CA 1.537 56.332 54.840 -0.076 0.000 0.745 525 L CB -0.459 41.642 42.059 0.069 0.000 0.894 525 L HN 0.296 nan 8.230 nan 0.000 0.432 526 D N -0.187 120.177 120.400 -0.060 0.000 2.144 526 D HA -0.179 4.467 4.640 0.010 0.000 0.199 526 D C 1.780 177.996 176.300 -0.140 0.000 0.984 526 D CA 1.041 55.006 54.000 -0.059 0.000 0.834 526 D CB -0.203 40.644 40.800 0.079 0.000 0.955 526 D HN 0.289 nan 8.370 nan 0.000 0.465 527 D N 0.090 120.427 120.400 -0.105 0.000 2.084 527 D HA -0.131 4.516 4.640 0.010 0.000 0.194 527 D C 2.152 178.357 176.300 -0.158 0.000 0.990 527 D CA 0.405 54.342 54.000 -0.105 0.000 0.826 527 D CB -0.431 40.326 40.800 -0.073 0.000 0.971 527 D HN 0.123 nan 8.370 nan 0.000 0.453 528 L N 1.087 122.197 121.223 -0.189 0.000 2.042 528 L HA -0.091 4.255 4.340 0.010 0.000 0.210 528 L C 2.114 178.790 176.870 -0.324 0.000 1.076 528 L CA 1.750 56.460 54.840 -0.215 0.000 0.749 528 L CB -0.807 41.137 42.059 -0.192 0.000 0.893 528 L HN -0.015 nan 8.230 nan 0.000 0.432 529 A N -1.454 121.039 122.820 -0.545 0.000 2.125 529 A HA -0.225 4.101 4.320 0.010 0.000 0.219 529 A C 2.290 179.589 177.584 -0.474 0.000 1.156 529 A CA 1.665 53.209 52.037 -0.822 0.000 0.671 529 A CB -0.589 17.300 19.000 -1.852 0.000 0.794 529 A HN 0.625 nan 8.150 nan 0.000 0.459 530 E N -0.830 119.197 120.200 -0.288 0.000 2.230 530 E HA -0.076 4.280 4.350 0.010 0.000 0.192 530 E C 2.185 178.711 176.600 -0.123 0.000 0.987 530 E CA 0.441 56.748 56.400 -0.155 0.000 0.841 530 E CB 0.009 29.651 29.700 -0.097 0.000 0.783 530 E HN 0.643 nan 8.360 nan 0.000 0.481 531 R N 0.085 120.502 120.500 -0.138 0.000 2.057 531 R HA -0.060 4.286 4.340 0.010 0.000 0.224 531 R C 2.085 178.324 176.300 -0.101 0.000 1.136 531 R CA 1.576 57.615 56.100 -0.101 0.000 0.968 531 R CB 0.248 30.494 30.300 -0.090 0.000 0.863 531 R HN 0.185 nan 8.270 nan 0.000 0.433 532 V N -2.615 117.217 119.914 -0.138 0.000 3.528 532 V HA 0.487 4.613 4.120 0.010 0.000 0.294 532 V C 0.523 176.547 176.094 -0.117 0.000 1.404 532 V CA 0.155 62.389 62.300 -0.110 0.000 1.065 532 V CB -0.009 31.754 31.823 -0.101 0.000 0.904 532 V HN 0.536 nan 8.190 nan 0.000 0.435 533 G N -0.012 108.675 108.800 -0.188 0.000 2.796 533 G HA2 -0.250 3.716 3.960 0.010 0.000 0.571 533 G HA3 -0.250 3.716 3.960 0.010 0.000 0.571 533 G C -0.775 173.972 174.900 -0.256 0.000 1.370 533 G CA -0.240 44.757 45.100 -0.170 0.000 0.856 533 G HN 0.581 nan 8.290 nan 0.000 0.538 534 W N 2.237 123.543 121.300 0.010 0.000 1.664 534 W HA 0.507 5.173 4.660 0.010 0.000 0.428 534 W C 1.551 178.094 176.519 0.040 0.000 0.726 534 W CA -0.730 56.623 57.345 0.013 0.000 1.774 534 W CB 0.158 29.623 29.460 0.007 0.000 1.801 534 W HN 0.452 nan 8.180 nan 0.000 0.243 535 R N 1.835 122.422 120.500 0.145 0.000 2.827 535 R HA -0.057 4.289 4.340 0.010 0.000 0.269 535 R C 1.701 178.117 176.300 0.194 0.000 1.048 535 R CA -0.177 56.001 56.100 0.130 0.000 1.173 535 R CB 0.383 30.679 30.300 -0.006 0.000 1.070 535 R HN 0.622 nan 8.270 nan 0.000 0.498 536 W N 2.378 123.789 121.300 0.185 0.000 2.350 536 W HA -0.194 4.473 4.660 0.011 0.000 0.289 536 W C 0.956 177.634 176.519 0.265 0.000 1.215 536 W CA 0.799 58.284 57.345 0.232 0.000 1.236 536 W CB -0.413 29.199 29.460 0.253 0.000 1.130 536 W HN 0.515 nan 8.180 nan 0.000 0.541 537 R N 0.558 120.652 120.500 -0.676 0.000 2.096 537 R HA -0.126 4.221 4.340 0.010 0.000 0.235 537 R C 2.417 178.738 176.300 0.034 0.000 1.127 537 R CA 1.712 57.454 56.100 -0.597 0.000 0.968 537 R CB -0.552 29.293 30.300 -0.758 0.000 0.861 537 R HN 0.156 nan 8.270 nan 0.000 0.440 538 L N -0.142 121.145 121.223 0.108 0.000 2.046 538 L HA -0.163 4.183 4.340 0.010 0.000 0.208 538 L C 2.252 179.375 176.870 0.420 0.000 1.077 538 L CA 1.337 56.350 54.840 0.288 0.000 0.747 538 L CB -0.441 41.724 42.059 0.177 0.000 0.896 538 L HN -0.032 nan 8.230 nan 0.000 0.432 539 V N -1.301 118.835 119.914 0.370 0.000 2.407 539 V HA -0.308 3.818 4.120 0.010 0.000 0.248 539 V C 2.085 178.272 176.094 0.155 0.000 1.055 539 V CA 1.664 64.074 62.300 0.184 0.000 1.049 539 V CB -0.789 31.173 31.823 0.231 0.000 0.662 539 V HN 0.648 nan 8.190 nan 0.000 0.455 540 W N 0.577 121.964 121.300 0.145 0.000 2.332 540 W HA -0.254 4.413 4.660 0.010 0.000 0.321 540 W C 2.457 178.972 176.519 -0.005 0.000 1.219 540 W CA 1.974 59.389 57.345 0.117 0.000 1.277 540 W CB -0.658 28.895 29.460 0.155 0.000 1.161 540 W HN 0.333 nan 8.180 nan 0.000 0.476 541 Y N 0.672 121.115 120.300 0.239 0.000 2.421 541 Y HA -0.140 4.416 4.550 0.011 0.000 0.292 541 Y C 2.778 178.655 175.900 -0.038 0.000 1.136 541 Y CA 1.965 60.124 58.100 0.098 0.000 1.255 541 Y CB -1.144 37.418 38.460 0.169 0.000 0.991 541 Y HN 0.032 nan 8.280 nan 0.000 0.552 542 R N 0.293 120.837 120.500 0.073 0.000 2.062 542 R HA -0.158 4.188 4.340 0.010 0.000 0.231 542 R C 2.437 178.585 176.300 -0.254 0.000 1.136 542 R CA 1.275 57.317 56.100 -0.096 0.000 0.948 542 R CB -0.440 29.685 30.300 -0.292 0.000 0.845 542 R HN 0.272 nan 8.270 nan 0.000 0.430 543 A N 0.418 122.962 122.820 -0.459 0.000 1.917 543 A HA -0.156 4.170 4.320 0.010 0.000 0.219 543 A C 2.281 179.434 177.584 -0.718 0.000 1.182 543 A CA 1.893 53.434 52.037 -0.828 0.000 0.633 543 A CB -0.719 17.209 19.000 -1.787 0.000 0.819 543 A HN 0.258 nan 8.150 nan 0.000 0.448 544 V N -0.326 119.280 119.914 -0.513 0.000 2.343 544 V HA -0.253 3.873 4.120 0.010 0.000 0.247 544 V C 3.028 179.100 176.094 -0.037 0.000 1.051 544 V CA 1.980 64.204 62.300 -0.127 0.000 1.036 544 V CB -1.228 30.601 31.823 0.009 0.000 0.654 544 V HN 0.644 nan 8.190 nan 0.000 0.451 545 A N -0.349 122.446 122.820 -0.042 0.000 1.898 545 A HA -0.228 4.098 4.320 0.010 0.000 0.216 545 A C 2.152 179.715 177.584 -0.034 0.000 1.181 545 A CA 1.761 53.791 52.037 -0.011 0.000 0.620 545 A CB -0.477 18.524 19.000 0.003 0.000 0.819 545 A HN 0.600 nan 8.150 nan 0.000 0.442 546 E N -0.173 119.983 120.200 -0.073 0.000 2.204 546 E HA -0.112 4.245 4.350 0.010 0.000 0.195 546 E C 1.852 178.427 176.600 -0.042 0.000 0.990 546 E CA 0.678 57.033 56.400 -0.075 0.000 0.821 546 E CB -0.233 29.418 29.700 -0.082 0.000 0.750 546 E HN 0.607 nan 8.360 nan 0.000 0.477 547 L N 0.337 121.574 121.223 0.023 0.000 2.017 547 L HA -0.215 4.131 4.340 0.010 0.000 0.208 547 L C 2.300 179.244 176.870 0.123 0.000 1.073 547 L CA 1.117 56.051 54.840 0.157 0.000 0.745 547 L CB -0.297 41.851 42.059 0.148 0.000 0.894 547 L HN 0.231 nan 8.230 nan 0.000 0.432 548 L N -1.265 119.990 121.223 0.052 0.000 2.201 548 L HA -0.168 4.179 4.340 0.010 0.000 0.212 548 L C 2.408 179.276 176.870 -0.003 0.000 1.105 548 L CA 1.045 55.907 54.840 0.036 0.000 0.775 548 L CB -0.606 41.470 42.059 0.028 0.000 0.913 548 L HN 0.197 nan 8.230 nan 0.000 0.440 549 T N -0.822 113.706 114.554 -0.044 0.000 3.023 549 T HA 0.043 4.400 4.350 0.010 0.000 0.266 549 T C 1.394 175.987 174.700 -0.178 0.000 1.093 549 T CA 1.024 63.072 62.100 -0.087 0.000 1.129 549 T CB -0.030 68.788 68.868 -0.082 0.000 0.899 549 T HN 0.641 nan 8.240 nan 0.000 0.491 550 G N 2.019 110.641 108.800 -0.296 0.000 2.143 550 G HA2 -0.222 3.745 3.960 0.010 0.000 0.249 550 G HA3 -0.222 3.745 3.960 0.010 0.000 0.249 550 G C 0.054 174.352 174.900 -1.004 0.000 0.981 550 G CA 0.241 44.887 45.100 -0.757 0.000 0.665 550 G HN 0.535 nan 8.290 nan 0.000 0.528 551 D N 0.149 120.213 120.400 -0.560 0.000 2.558 551 D HA 0.418 5.064 4.640 0.010 0.000 0.221 551 D C 1.283 177.426 176.300 -0.262 0.000 1.143 551 D CA -0.833 52.956 54.000 -0.353 0.000 1.010 551 D CB -0.287 40.405 40.800 -0.179 0.000 1.068 551 D HN 0.307 nan 8.370 nan 0.000 0.511 552 Y N 0.614 120.902 120.300 -0.020 0.000 2.373 552 Y HA -0.049 4.508 4.550 0.011 0.000 0.293 552 Y C 1.908 177.793 175.900 -0.024 0.000 1.129 552 Y CA 0.323 58.416 58.100 -0.012 0.000 1.226 552 Y CB -0.121 38.342 38.460 0.005 0.000 1.000 552 Y HN 0.295 nan 8.280 nan 0.000 0.549 553 D N -0.497 119.943 120.400 0.067 0.000 2.117 553 D HA -0.127 4.519 4.640 0.010 0.000 0.198 553 D C 2.145 178.406 176.300 -0.065 0.000 0.982 553 D CA 1.637 55.645 54.000 0.012 0.000 0.828 553 D CB -0.252 40.540 40.800 -0.013 0.000 0.967 553 D HN 0.241 nan 8.370 nan 0.000 0.464 554 S N 0.863 116.499 115.700 -0.106 0.000 2.383 554 S HA -0.071 4.405 4.470 0.010 0.000 0.227 554 S C 2.149 176.610 174.600 -0.232 0.000 1.026 554 S CA 0.918 58.983 58.200 -0.226 0.000 0.981 554 S CB -0.173 62.955 63.200 -0.121 0.000 0.818 554 S HN 0.344 nan 8.310 nan 0.000 0.472 555 A N 1.858 124.621 122.820 -0.095 0.000 1.865 555 A HA -0.153 4.173 4.320 0.010 0.000 0.217 555 A C 2.365 179.904 177.584 -0.075 0.000 1.191 555 A CA 2.214 54.168 52.037 -0.139 0.000 0.623 555 A CB -1.571 17.441 19.000 0.019 0.000 0.826 555 A HN 0.456 nan 8.150 nan 0.000 0.444 556 T N -0.299 114.286 114.554 0.051 0.000 2.652 556 T HA -0.204 4.153 4.350 0.010 0.000 0.267 556 T C 2.001 176.709 174.700 0.012 0.000 1.039 556 T CA 1.784 63.940 62.100 0.094 0.000 1.153 556 T CB -0.279 68.643 68.868 0.089 0.000 0.863 556 T HN 0.596 nan 8.240 nan 0.000 0.428 557 K N 0.087 120.418 120.400 -0.114 0.000 2.059 557 K HA -0.245 4.081 4.320 0.010 0.000 0.212 557 K C 2.093 178.576 176.600 -0.195 0.000 1.050 557 K CA 2.045 58.208 56.287 -0.207 0.000 0.927 557 K CB -0.251 32.020 32.500 -0.382 0.000 0.714 557 K HN 0.594 nan 8.250 nan 0.000 0.447 558 H N -1.593 117.412 119.070 -0.107 0.000 2.403 558 H HA -0.033 4.530 4.556 0.010 0.000 0.298 558 H C 1.919 177.221 175.328 -0.044 0.000 1.059 558 H CA 1.320 57.287 56.048 -0.135 0.000 1.363 558 H CB 0.005 29.603 29.762 -0.273 0.000 1.410 558 H HN 0.130 nan 8.280 nan 0.000 0.528 559 F N 0.809 120.797 119.950 0.064 0.000 2.171 559 F HA -0.200 4.333 4.527 0.011 0.000 0.300 559 F C 2.504 178.342 175.800 0.063 0.000 1.090 559 F CA 1.298 59.315 58.000 0.028 0.000 1.293 559 F CB -0.887 38.041 39.000 -0.119 0.000 1.013 559 F HN 0.081 nan 8.300 nan 0.000 0.486 560 T N -0.617 114.053 114.554 0.194 0.000 2.708 560 T HA -0.195 4.161 4.350 0.010 0.000 0.266 560 T C 1.837 176.599 174.700 0.105 0.000 1.037 560 T CA 1.558 63.719 62.100 0.101 0.000 1.146 560 T CB -0.333 68.570 68.868 0.058 0.000 0.865 560 T HN 0.311 nan 8.240 nan 0.000 0.435 561 E N 0.341 120.611 120.200 0.117 0.000 2.097 561 E HA -0.133 4.223 4.350 0.010 0.000 0.196 561 E C 2.295 178.981 176.600 0.143 0.000 1.000 561 E CA 1.188 57.656 56.400 0.112 0.000 0.804 561 E CB -0.228 29.560 29.700 0.146 0.000 0.740 561 E HN 0.301 nan 8.360 nan 0.000 0.454 562 V N 1.062 121.146 119.914 0.284 0.000 2.379 562 V HA -0.201 3.925 4.120 0.010 0.000 0.245 562 V C 2.229 178.496 176.094 0.289 0.000 1.044 562 V CA 1.111 63.650 62.300 0.397 0.000 1.036 562 V CB -0.351 31.939 31.823 0.778 0.000 0.664 562 V HN 0.218 nan 8.190 nan 0.000 0.453 563 L N 0.660 122.024 121.223 0.235 0.000 2.017 563 L HA -0.171 4.175 4.340 0.010 0.000 0.208 563 L C 1.940 178.853 176.870 0.070 0.000 1.073 563 L CA 2.106 57.030 54.840 0.139 0.000 0.745 563 L CB -0.937 41.141 42.059 0.031 0.000 0.894 563 L HN 0.274 nan 8.230 nan 0.000 0.432 564 D N -1.348 119.063 120.400 0.018 0.000 2.312 564 D HA -0.095 4.552 4.640 0.010 0.000 0.211 564 D C 1.949 178.145 176.300 -0.173 0.000 0.964 564 D CA 1.305 55.276 54.000 -0.048 0.000 0.877 564 D CB 0.102 40.877 40.800 -0.042 0.000 0.924 564 D HN 0.409 nan 8.370 nan 0.000 0.515 565 T N -0.584 113.803 114.554 -0.280 0.000 2.978 565 T HA 0.015 4.371 4.350 0.010 0.000 0.262 565 T C 0.365 174.526 174.700 -0.898 0.000 1.063 565 T CA 0.523 62.204 62.100 -0.699 0.000 1.140 565 T CB 0.150 68.451 68.868 -0.945 0.000 0.886 565 T HN 0.024 nan 8.240 nan 0.000 0.470 566 F N 1.218 121.138 119.950 -0.052 0.000 2.622 566 F HA 0.351 4.884 4.527 0.010 0.000 0.338 566 F C -2.085 173.754 175.800 0.065 0.000 1.334 566 F CA -2.765 55.240 58.000 0.008 0.000 1.179 566 F CB 1.357 40.309 39.000 -0.081 0.000 1.471 566 F HN -0.093 nan 8.300 nan 0.000 0.576 567 P HA -0.063 nan 4.420 nan 0.000 0.225 567 P C 1.461 178.861 177.300 0.167 0.000 1.148 567 P CA 1.048 64.249 63.100 0.169 0.000 0.779 567 P CB 0.356 32.152 31.700 0.161 0.000 0.780 568 G N -0.563 108.342 108.800 0.176 0.000 3.042 568 G HA2 -0.008 3.959 3.960 0.010 0.000 0.212 568 G HA3 -0.008 3.959 3.960 0.010 0.000 0.212 568 G C 0.460 175.424 174.900 0.106 0.000 1.166 568 G CA -0.034 45.141 45.100 0.126 0.000 0.767 568 G HN 0.149 nan 8.290 nan 0.000 0.546 569 E N 0.159 120.435 120.200 0.128 0.000 2.266 569 E HA 0.334 4.690 4.350 0.010 0.000 0.277 569 E C 0.866 177.464 176.600 -0.004 0.000 1.018 569 E CA -0.500 55.947 56.400 0.079 0.000 0.840 569 E CB 2.081 31.876 29.700 0.158 0.000 1.082 569 E HN 0.057 nan 8.360 nan 0.000 0.395 570 L N 1.246 122.444 121.223 -0.041 0.000 2.307 570 L HA -0.005 4.341 4.340 0.010 0.000 0.211 570 L C 2.163 178.942 176.870 -0.151 0.000 1.099 570 L CA 0.663 55.471 54.840 -0.052 0.000 0.816 570 L CB -0.294 41.766 42.059 0.002 0.000 0.952 570 L HN 0.556 nan 8.230 nan 0.000 0.455 571 A N 1.491 124.119 122.820 -0.320 0.000 1.884 571 A HA -0.174 4.152 4.320 0.010 0.000 0.219 571 A C -0.118 177.264 177.584 -0.337 0.000 1.197 571 A CA 2.048 53.797 52.037 -0.481 0.000 0.637 571 A CB -1.882 16.383 19.000 -1.225 0.000 0.827 571 A HN 0.270 nan 8.150 nan 0.000 0.450 572 P HA -0.098 nan 4.420 nan 0.000 0.221 572 P C 1.069 178.144 177.300 -0.374 0.000 1.150 572 P CA 1.320 64.353 63.100 -0.111 0.000 0.800 572 P CB -0.042 31.700 31.700 0.069 0.000 0.787 573 K N -0.837 119.330 120.400 -0.388 0.000 2.103 573 K HA -0.076 4.250 4.320 0.010 0.000 0.204 573 K C 1.935 178.279 176.600 -0.427 0.000 1.052 573 K CA 0.884 56.801 56.287 -0.618 0.000 0.945 573 K CB -0.853 31.505 32.500 -0.236 0.000 0.722 573 K HN 0.087 nan 8.250 nan 0.000 0.443 574 L N 1.416 122.509 121.223 -0.216 0.000 2.056 574 L HA -0.094 4.252 4.340 0.010 0.000 0.207 574 L C 2.278 179.025 176.870 -0.205 0.000 1.078 574 L CA 1.613 56.403 54.840 -0.083 0.000 0.749 574 L CB -0.629 41.480 42.059 0.083 0.000 0.901 574 L HN 0.124 nan 8.230 nan 0.000 0.433 575 A N -0.620 121.957 122.820 -0.405 0.000 1.902 575 A HA -0.182 4.145 4.320 0.010 0.000 0.217 575 A C 2.244 179.409 177.584 -0.698 0.000 1.181 575 A CA 2.053 53.622 52.037 -0.780 0.000 0.623 575 A CB -0.884 17.145 19.000 -1.619 0.000 0.818 575 A HN 0.490 nan 8.150 nan 0.000 0.443 576 L N -0.928 119.936 121.223 -0.598 0.000 2.093 576 L HA -0.132 4.214 4.340 0.010 0.000 0.208 576 L C 3.053 179.807 176.870 -0.193 0.000 1.085 576 L CA 0.915 55.550 54.840 -0.342 0.000 0.755 576 L CB -0.478 41.286 42.059 -0.491 0.000 0.904 576 L HN 0.420 nan 8.230 nan 0.000 0.435 577 A N 0.061 122.703 122.820 -0.296 0.000 1.902 577 A HA -0.136 4.190 4.320 0.010 0.000 0.217 577 A C 2.512 179.857 177.584 -0.398 0.000 1.181 577 A CA 1.670 53.425 52.037 -0.470 0.000 0.623 577 A CB -0.643 17.657 19.000 -1.167 0.000 0.818 577 A HN 0.381 nan 8.150 nan 0.000 0.443 578 A N -1.043 121.620 122.820 -0.261 0.000 1.968 578 A HA -0.014 4.313 4.320 0.010 0.000 0.217 578 A C 2.274 179.755 177.584 -0.172 0.000 1.169 578 A CA 2.109 54.072 52.037 -0.124 0.000 0.638 578 A CB -1.080 17.707 19.000 -0.354 0.000 0.812 578 A HN 0.428 nan 8.150 nan 0.000 0.446 579 T N 0.508 114.959 114.554 -0.172 0.000 2.674 579 T HA -0.033 4.323 4.350 0.010 0.000 0.265 579 T C 2.297 176.898 174.700 -0.163 0.000 1.039 579 T CA 1.655 63.672 62.100 -0.138 0.000 1.150 579 T CB -0.595 68.292 68.868 0.031 0.000 0.864 579 T HN 0.597 nan 8.240 nan 0.000 0.427 580 A N 1.729 124.507 122.820 -0.070 0.000 1.903 580 A HA -0.251 4.076 4.320 0.010 0.000 0.219 580 A C 2.237 179.791 177.584 -0.051 0.000 1.191 580 A CA 2.010 54.030 52.037 -0.028 0.000 0.638 580 A CB -0.758 18.260 19.000 0.030 0.000 0.823 580 A HN 0.563 nan 8.150 nan 0.000 0.451 581 E N -0.494 119.690 120.200 -0.026 0.000 2.070 581 E HA -0.207 4.149 4.350 0.010 0.000 0.197 581 E C 2.052 178.591 176.600 -0.102 0.000 1.004 581 E CA 1.420 57.823 56.400 0.005 0.000 0.805 581 E CB -0.322 29.448 29.700 0.117 0.000 0.744 581 E HN 0.669 nan 8.360 nan 0.000 0.451 582 L N 0.204 121.276 121.223 -0.251 0.000 2.042 582 L HA -0.196 4.150 4.340 0.010 0.000 0.210 582 L C 2.507 179.073 176.870 -0.508 0.000 1.076 582 L CA 1.118 55.686 54.840 -0.454 0.000 0.749 582 L CB -0.422 41.142 42.059 -0.825 0.000 0.893 582 L HN 0.135 nan 8.230 nan 0.000 0.432 583 A N -0.548 121.981 122.820 -0.486 0.000 2.119 583 A HA 0.136 4.462 4.320 0.010 0.000 0.217 583 A C 1.743 179.314 177.584 -0.022 0.000 1.153 583 A CA 0.930 52.871 52.037 -0.161 0.000 0.692 583 A CB -0.543 18.440 19.000 -0.029 0.000 0.799 583 A HN 0.568 nan 8.150 nan 0.000 0.458 584 G N -0.581 108.195 108.800 -0.040 0.000 2.160 584 G HA2 -0.221 3.745 3.960 0.010 0.000 0.244 584 G HA3 -0.221 3.745 3.960 0.010 0.000 0.244 584 G C -0.314 174.595 174.900 0.015 0.000 1.022 584 G CA 0.150 45.252 45.100 0.003 0.000 0.741 584 G HN 0.512 nan 8.290 nan 0.000 0.508 585 N N 0.286 118.994 118.700 0.012 0.000 2.487 585 N HA 0.505 5.252 4.740 0.010 0.000 0.292 585 N C 0.122 175.647 175.510 0.025 0.000 1.108 585 N CA -0.101 52.962 53.050 0.021 0.000 0.956 585 N CB 1.106 39.610 38.487 0.028 0.000 1.176 585 N HN 0.101 nan 8.380 nan 0.000 0.484 586 T N 0.366 114.931 114.554 0.018 0.000 2.794 586 T HA 0.019 4.375 4.350 0.010 0.000 0.296 586 T C 0.027 174.730 174.700 0.005 0.000 0.949 586 T CA -0.155 61.954 62.100 0.015 0.000 1.101 586 T CB 0.372 69.240 68.868 0.001 0.000 0.905 586 T HN 0.294 nan 8.240 nan 0.000 0.516 587 D N 2.718 123.127 120.400 0.015 0.000 2.374 587 D HA 0.067 4.714 4.640 0.010 0.000 0.240 587 D C 1.214 177.460 176.300 -0.090 0.000 1.229 587 D CA -0.571 53.429 54.000 -0.000 0.000 0.895 587 D CB 0.627 41.450 40.800 0.038 0.000 1.046 587 D HN 0.644 nan 8.370 nan 0.000 0.498 588 E N 1.703 121.802 120.200 -0.169 0.000 2.409 588 E HA -0.157 4.199 4.350 0.010 0.000 0.198 588 E C 0.602 176.929 176.600 -0.455 0.000 1.024 588 E CA 0.983 57.209 56.400 -0.292 0.000 0.861 588 E CB -0.161 29.338 29.700 -0.336 0.000 0.788 588 E HN 0.618 nan 8.360 nan 0.000 0.521 589 H N 0.720 119.587 119.070 -0.339 0.000 2.575 589 H HA 0.254 4.816 4.556 0.010 0.000 0.267 589 H C -0.317 174.653 175.328 -0.596 0.000 0.966 589 H CA -0.122 55.564 56.048 -0.604 0.000 1.165 589 H CB 0.357 29.392 29.762 -1.211 0.000 1.433 589 H HN -0.047 nan 8.280 nan 0.000 0.544 590 K N -0.008 120.234 120.400 -0.264 0.000 3.257 590 K HA -0.229 4.097 4.320 0.010 0.000 0.270 590 K C -0.349 176.238 176.600 -0.021 0.000 0.984 590 K CA 0.042 56.276 56.287 -0.088 0.000 0.739 590 K CB -1.548 30.925 32.500 -0.045 0.000 1.351 590 K HN 0.229 nan 8.250 nan 0.000 0.463 591 F N -0.608 119.376 119.950 0.056 0.000 2.113 591 F HA -0.162 4.371 4.527 0.010 0.000 0.297 591 F C 2.282 178.124 175.800 0.070 0.000 1.103 591 F CA 1.256 59.266 58.000 0.017 0.000 1.248 591 F CB -0.513 38.435 39.000 -0.086 0.000 0.999 591 F HN 0.241 nan 8.300 nan 0.000 0.475 592 Y N 0.479 120.937 120.300 0.264 0.000 2.114 592 Y HA -0.318 4.238 4.550 0.010 0.000 0.282 592 Y C 2.712 178.730 175.900 0.196 0.000 1.165 592 Y CA 1.824 60.038 58.100 0.189 0.000 1.148 592 Y CB -1.273 37.260 38.460 0.120 0.000 0.972 592 Y HN 0.187 nan 8.280 nan 0.000 0.504 593 Q N -0.803 119.193 119.800 0.326 0.000 2.084 593 Q HA -0.176 4.170 4.340 0.010 0.000 0.202 593 Q C 2.029 178.169 176.000 0.234 0.000 0.978 593 Q CA 2.107 58.060 55.803 0.250 0.000 0.844 593 Q CB -0.128 28.703 28.738 0.155 0.000 0.898 593 Q HN 0.420 nan 8.270 nan 0.000 0.426 594 T N 0.121 114.803 114.554 0.213 0.000 2.737 594 T HA -0.097 4.259 4.350 0.010 0.000 0.265 594 T C 1.853 176.668 174.700 0.193 0.000 1.038 594 T CA 1.317 63.529 62.100 0.187 0.000 1.144 594 T CB -0.165 68.829 68.868 0.209 0.000 0.866 594 T HN 0.104 nan 8.240 nan 0.000 0.434 595 V N 0.665 120.725 119.914 0.243 0.000 2.287 595 V HA -0.167 3.959 4.120 0.010 0.000 0.248 595 V C 2.020 178.258 176.094 0.240 0.000 1.053 595 V CA 1.543 63.978 62.300 0.225 0.000 1.027 595 V CB -0.595 31.382 31.823 0.257 0.000 0.646 595 V HN 0.676 nan 8.190 nan 0.000 0.447 596 W N 0.484 121.844 121.300 0.101 0.000 2.381 596 W HA -0.170 4.497 4.660 0.011 0.000 0.301 596 W C 2.588 179.132 176.519 0.041 0.000 1.205 596 W CA 1.517 58.896 57.345 0.057 0.000 1.285 596 W CB -0.133 29.349 29.460 0.037 0.000 1.133 596 W HN 0.293 nan 8.180 nan 0.000 0.521 597 S N 0.315 116.029 115.700 0.023 0.000 2.387 597 S HA -0.206 4.271 4.470 0.010 0.000 0.230 597 S C 1.553 176.073 174.600 -0.133 0.000 1.035 597 S CA 2.287 60.441 58.200 -0.076 0.000 1.014 597 S CB -0.506 62.715 63.200 0.035 0.000 0.836 597 S HN 0.293 nan 8.310 nan 0.000 0.466 598 T N 0.636 115.146 114.554 -0.074 0.000 2.976 598 T HA 0.102 4.458 4.350 0.010 0.000 0.257 598 T C 0.754 175.385 174.700 -0.115 0.000 1.051 598 T CA 0.488 62.551 62.100 -0.061 0.000 1.141 598 T CB -0.024 68.847 68.868 0.006 0.000 0.881 598 T HN 0.178 nan 8.240 nan 0.000 0.461 599 N N 1.787 120.391 118.700 -0.160 0.000 2.621 599 N HA 0.084 4.830 4.740 0.010 0.000 0.271 599 N C -1.089 174.217 175.510 -0.340 0.000 1.181 599 N CA -0.287 52.658 53.050 -0.174 0.000 0.805 599 N CB 1.199 39.656 38.487 -0.050 0.000 1.351 599 N HN 0.112 nan 8.380 nan 0.000 0.539 600 D N 1.063 121.109 120.400 -0.590 0.000 2.332 600 D HA 0.061 4.707 4.640 0.010 0.000 0.244 600 D C 1.179 177.300 176.300 -0.298 0.000 1.136 600 D CA -0.098 53.276 54.000 -1.044 0.000 0.884 600 D CB -0.344 39.883 40.800 -0.956 0.000 0.906 600 D HN 0.578 nan 8.370 nan 0.000 0.520 601 G N -0.402 108.352 108.800 -0.077 0.000 2.939 601 G HA2 0.103 4.069 3.960 0.010 0.000 0.210 601 G HA3 0.103 4.069 3.960 0.010 0.000 0.210 601 G C 0.474 175.495 174.900 0.203 0.000 1.160 601 G CA -0.236 44.918 45.100 0.091 0.000 0.770 601 G HN 0.251 nan 8.290 nan 0.000 0.543 602 V N 2.304 122.381 119.914 0.272 0.000 2.222 602 V HA 0.219 4.346 4.120 0.010 0.000 0.253 602 V C 1.398 177.724 176.094 0.386 0.000 1.210 602 V CA -0.273 62.199 62.300 0.285 0.000 1.079 602 V CB 0.315 32.279 31.823 0.234 0.000 1.265 602 V HN 0.248 nan 8.190 nan 0.000 0.494 603 I N 1.490 122.213 120.570 0.255 0.000 2.315 603 I HA -0.185 3.991 4.170 0.010 0.000 0.248 603 I C 2.490 178.557 176.117 -0.084 0.000 1.117 603 I CA 1.261 62.640 61.300 0.132 0.000 1.404 603 I CB -0.073 38.035 38.000 0.180 0.000 1.071 603 I HN 0.543 nan 8.210 nan 0.000 0.419 604 S N 0.761 116.320 115.700 -0.234 0.000 2.380 604 S HA -0.313 4.164 4.470 0.010 0.000 0.229 604 S C 2.235 176.581 174.600 -0.422 0.000 1.043 604 S CA 1.668 59.525 58.200 -0.571 0.000 1.038 604 S CB -0.500 62.056 63.200 -1.074 0.000 0.872 604 S HN 0.602 nan 8.310 nan 0.000 0.456 605 A N 1.172 123.900 122.820 -0.153 0.000 1.969 605 A HA 0.215 4.541 4.320 0.010 0.000 0.218 605 A C 2.341 179.688 177.584 -0.395 0.000 1.169 605 A CA 1.555 53.576 52.037 -0.026 0.000 0.635 605 A CB -0.958 18.251 19.000 0.348 0.000 0.810 605 A HN 0.523 nan 8.150 nan 0.000 0.445 606 A N -0.819 121.530 122.820 -0.784 0.000 1.877 606 A HA -0.021 4.305 4.320 0.010 0.000 0.216 606 A C 1.950 178.976 177.584 -0.930 0.000 1.186 606 A CA 1.580 52.740 52.037 -1.461 0.000 0.620 606 A CB -0.756 16.976 19.000 -2.114 0.000 0.822 606 A HN 0.468 nan 8.150 nan 0.000 0.443 607 F N 0.214 119.767 119.950 -0.662 0.000 2.163 607 F HA 0.045 4.579 4.527 0.011 0.000 0.297 607 F C 2.672 178.151 175.800 -0.534 0.000 1.094 607 F CA 0.974 58.671 58.000 -0.505 0.000 1.290 607 F CB -0.836 37.910 39.000 -0.424 0.000 1.017 607 F HN 0.284 nan 8.300 nan 0.000 0.483 608 G N 0.324 108.748 108.800 -0.626 0.000 2.459 608 G HA2 -0.286 3.680 3.960 0.010 0.000 0.217 608 G HA3 -0.286 3.680 3.960 0.010 0.000 0.217 608 G C 1.653 176.054 174.900 -0.831 0.000 1.183 608 G CA 1.090 45.469 45.100 -1.201 0.000 0.776 608 G HN 0.298 nan 8.290 nan 0.000 0.552 609 L N 1.491 122.324 121.223 -0.651 0.000 2.012 609 L HA 0.082 4.428 4.340 0.010 0.000 0.210 609 L C 3.071 179.824 176.870 -0.194 0.000 1.073 609 L CA 2.310 57.019 54.840 -0.220 0.000 0.748 609 L CB -0.851 41.122 42.059 -0.142 0.000 0.891 609 L HN 0.256 nan 8.230 nan 0.000 0.431 610 A N -0.299 122.341 122.820 -0.299 0.000 1.883 610 A HA -0.242 4.084 4.320 0.010 0.000 0.217 610 A C 2.411 179.910 177.584 -0.142 0.000 1.186 610 A CA 1.951 53.845 52.037 -0.238 0.000 0.624 610 A CB -0.616 18.180 19.000 -0.340 0.000 0.822 610 A HN 0.531 nan 8.150 nan 0.000 0.444 611 R N -0.621 119.800 120.500 -0.132 0.000 2.127 611 R HA -0.111 4.235 4.340 0.010 0.000 0.238 611 R C 2.398 178.688 176.300 -0.017 0.000 1.134 611 R CA 1.181 57.247 56.100 -0.055 0.000 0.975 611 R CB -0.438 29.840 30.300 -0.036 0.000 0.865 611 R HN 0.543 nan 8.270 nan 0.000 0.447 612 A N 1.084 123.898 122.820 -0.010 0.000 1.897 612 A HA -0.120 4.207 4.320 0.010 0.000 0.215 612 A C 2.064 179.655 177.584 0.011 0.000 1.181 612 A CA 0.950 53.008 52.037 0.035 0.000 0.620 612 A CB -0.231 18.824 19.000 0.092 0.000 0.821 612 A HN 0.194 nan 8.150 nan 0.000 0.443 613 R N -0.603 119.889 120.500 -0.013 0.000 2.092 613 R HA -0.040 4.307 4.340 0.010 0.000 0.231 613 R C 2.496 178.785 176.300 -0.018 0.000 1.119 613 R CA 1.357 57.446 56.100 -0.018 0.000 0.970 613 R CB -0.361 29.918 30.300 -0.034 0.000 0.864 613 R HN 0.453 nan 8.270 nan 0.000 0.440 614 S N 0.570 116.255 115.700 -0.025 0.000 2.368 614 S HA -0.135 4.342 4.470 0.010 0.000 0.225 614 S C 2.022 176.622 174.600 -0.000 0.000 1.030 614 S CA 1.214 59.405 58.200 -0.015 0.000 0.999 614 S CB -0.130 63.060 63.200 -0.017 0.000 0.844 614 S HN 0.488 nan 8.310 nan 0.000 0.459 615 A N 1.488 124.312 122.820 0.006 0.000 1.978 615 A HA -0.158 4.168 4.320 0.010 0.000 0.220 615 A C 1.510 179.100 177.584 0.010 0.000 1.170 615 A CA 1.706 53.751 52.037 0.014 0.000 0.636 615 A CB -0.422 18.592 19.000 0.022 0.000 0.810 615 A HN 0.753 nan 8.150 nan 0.000 0.448 616 E N -1.835 118.369 120.200 0.006 0.000 2.511 616 E HA 0.453 4.810 4.350 0.010 0.000 0.214 616 E C 0.765 177.366 176.600 0.002 0.000 1.062 616 E CA 0.172 56.574 56.400 0.004 0.000 1.213 616 E CB -0.439 29.263 29.700 0.003 0.000 1.214 616 E HN 0.623 nan 8.360 nan 0.000 0.441 617 G N 1.681 110.482 108.800 0.002 0.000 2.212 617 G HA2 -0.352 3.614 3.960 0.010 0.000 0.266 617 G HA3 -0.352 3.614 3.960 0.010 0.000 0.266 617 G C 0.187 175.085 174.900 -0.002 0.000 0.978 617 G CA 0.351 45.452 45.100 0.002 0.000 0.632 617 G HN 0.485 nan 8.290 nan 0.000 0.537 618 D N 0.456 120.852 120.400 -0.006 0.000 2.608 618 D HA 0.355 5.001 4.640 0.010 0.000 0.224 618 D C 1.801 178.090 176.300 -0.020 0.000 1.123 618 D CA -0.381 53.612 54.000 -0.011 0.000 1.030 618 D CB -0.195 40.599 40.800 -0.011 0.000 1.093 618 D HN 0.489 nan 8.370 nan 0.000 0.497 619 R N 0.774 121.262 120.500 -0.019 0.000 2.235 619 R HA -0.010 4.336 4.340 0.010 0.000 0.213 619 R C 1.857 178.136 176.300 -0.036 0.000 1.059 619 R CA 0.387 56.470 56.100 -0.028 0.000 0.997 619 R CB 0.314 30.601 30.300 -0.021 0.000 0.884 619 R HN 0.239 nan 8.270 nan 0.000 0.462 620 V N -0.200 119.698 119.914 -0.028 0.000 2.379 620 V HA -0.102 4.024 4.120 0.010 0.000 0.245 620 V C 2.284 178.359 176.094 -0.032 0.000 1.044 620 V CA 2.130 64.413 62.300 -0.028 0.000 1.036 620 V CB -0.545 31.267 31.823 -0.018 0.000 0.664 620 V HN 0.491 nan 8.190 nan 0.000 0.453 621 G N -0.577 108.205 108.800 -0.029 0.000 2.403 621 G HA2 -0.115 3.852 3.960 0.010 0.000 0.216 621 G HA3 -0.115 3.852 3.960 0.010 0.000 0.216 621 G C 1.757 176.625 174.900 -0.054 0.000 1.154 621 G CA 0.911 45.994 45.100 -0.028 0.000 0.784 621 G HN 0.569 nan 8.290 nan 0.000 0.538 622 A N 0.309 123.086 122.820 -0.071 0.000 1.902 622 A HA 0.052 4.378 4.320 0.010 0.000 0.217 622 A C 2.578 180.076 177.584 -0.143 0.000 1.181 622 A CA 1.849 53.816 52.037 -0.115 0.000 0.623 622 A CB -0.638 18.302 19.000 -0.101 0.000 0.818 622 A HN 0.241 nan 8.150 nan 0.000 0.443 623 V N -0.292 119.557 119.914 -0.108 0.000 2.427 623 V HA -0.214 3.912 4.120 0.010 0.000 0.248 623 V C 2.583 178.622 176.094 -0.092 0.000 1.051 623 V CA 2.069 64.302 62.300 -0.111 0.000 1.048 623 V CB -0.794 30.978 31.823 -0.085 0.000 0.666 623 V HN 0.588 nan 8.190 nan 0.000 0.456 624 R N -0.146 120.319 120.500 -0.059 0.000 2.094 624 R HA -0.203 4.143 4.340 0.010 0.000 0.239 624 R C 2.435 178.727 176.300 -0.014 0.000 1.137 624 R CA 2.324 58.410 56.100 -0.024 0.000 0.943 624 R CB -0.541 29.754 30.300 -0.008 0.000 0.850 624 R HN 0.516 nan 8.270 nan 0.000 0.433 625 T N 1.240 115.761 114.554 -0.055 0.000 2.708 625 T HA -0.109 4.247 4.350 0.010 0.000 0.266 625 T C 1.768 176.347 174.700 -0.201 0.000 1.037 625 T CA 1.280 63.329 62.100 -0.085 0.000 1.146 625 T CB -0.125 68.620 68.868 -0.205 0.000 0.865 625 T HN 0.175 nan 8.240 nan 0.000 0.435 626 L N 0.882 121.927 121.223 -0.296 0.000 2.191 626 L HA -0.091 4.255 4.340 0.010 0.000 0.212 626 L C 2.301 179.051 176.870 -0.200 0.000 1.103 626 L CA 0.902 55.503 54.840 -0.398 0.000 0.769 626 L CB -0.465 41.334 42.059 -0.433 0.000 0.908 626 L HN 0.152 nan 8.230 nan 0.000 0.438 627 D N 0.240 120.591 120.400 -0.083 0.000 2.264 627 D HA -0.156 4.491 4.640 0.010 0.000 0.208 627 D C 1.724 178.106 176.300 0.137 0.000 0.966 627 D CA 0.965 54.975 54.000 0.018 0.000 0.864 627 D CB 0.047 40.860 40.800 0.021 0.000 0.933 627 D HN 0.458 nan 8.370 nan 0.000 0.499 628 E N 0.025 120.335 120.200 0.184 0.000 2.502 628 E HA 0.029 4.386 4.350 0.010 0.000 0.194 628 E C 0.167 177.050 176.600 0.472 0.000 1.062 628 E CA -0.134 56.458 56.400 0.321 0.000 0.867 628 E CB 0.711 30.682 29.700 0.452 0.000 0.888 628 E HN -0.008 nan 8.360 nan 0.000 0.510 629 V N 3.752 123.885 119.914 0.366 0.000 2.479 629 V HA 0.046 4.172 4.120 0.010 0.000 0.281 629 V C -2.086 174.260 176.094 0.420 0.000 1.031 629 V CA -1.434 61.109 62.300 0.405 0.000 1.038 629 V CB 0.353 32.286 31.823 0.184 0.000 0.981 629 V HN 0.018 nan 8.190 nan 0.000 0.478 630 P HA 0.163 nan 4.420 nan 0.000 0.268 630 P C -2.144 175.117 177.300 -0.065 0.000 1.204 630 P CA -1.323 61.835 63.100 0.097 0.000 0.768 630 P CB 0.134 31.878 31.700 0.072 0.000 0.842 631 P HA -0.124 nan 4.420 nan 0.000 0.228 631 P C 1.105 178.171 177.300 -0.390 0.000 1.151 631 P CA 1.316 63.844 63.100 -0.953 0.000 0.770 631 P CB -0.477 30.699 31.700 -0.872 0.000 0.786 632 T N -5.245 109.200 114.554 -0.183 0.000 3.085 632 T HA 0.023 4.379 4.350 0.010 0.000 0.263 632 T C 1.025 175.709 174.700 -0.027 0.000 1.127 632 T CA 0.060 62.108 62.100 -0.086 0.000 1.103 632 T CB -0.566 68.271 68.868 -0.052 0.000 0.921 632 T HN 0.025 nan 8.240 nan 0.000 0.510 633 S N 0.474 116.189 115.700 0.026 0.000 2.545 633 S HA 0.295 4.771 4.470 0.010 0.000 0.275 633 S C 1.270 175.898 174.600 0.048 0.000 1.299 633 S CA -0.862 57.383 58.200 0.076 0.000 1.048 633 S CB 0.725 64.046 63.200 0.202 0.000 0.938 633 S HN 0.346 nan 8.310 nan 0.000 0.496 634 R N 1.916 122.354 120.500 -0.102 0.000 2.293 634 R HA -0.040 4.307 4.340 0.010 0.000 0.219 634 R C 0.537 176.737 176.300 -0.168 0.000 1.091 634 R CA 0.883 56.882 56.100 -0.170 0.000 1.004 634 R CB -0.241 29.892 30.300 -0.278 0.000 0.865 634 R HN 0.695 nan 8.270 nan 0.000 0.469 635 H N -1.462 117.685 119.070 0.128 0.000 2.529 635 H HA -0.004 4.558 4.556 0.010 0.000 0.277 635 H C 1.166 176.624 175.328 0.216 0.000 1.004 635 H CA -0.059 56.069 56.048 0.133 0.000 1.167 635 H CB -0.019 29.821 29.762 0.129 0.000 1.445 635 H HN 0.152 nan 8.280 nan 0.000 0.554 636 F N 1.915 121.950 119.950 0.141 0.000 2.128 636 F HA -0.163 4.370 4.527 0.010 0.000 0.295 636 F C 2.110 177.959 175.800 0.082 0.000 1.100 636 F CA 1.321 59.384 58.000 0.105 0.000 1.260 636 F CB -0.230 38.806 39.000 0.060 0.000 1.009 636 F HN -0.074 nan 8.300 nan 0.000 0.476 637 T N -0.367 114.232 114.554 0.075 0.000 2.720 637 T HA -0.192 4.164 4.350 0.010 0.000 0.268 637 T C 1.881 176.543 174.700 -0.063 0.000 1.037 637 T CA 2.128 64.200 62.100 -0.047 0.000 1.144 637 T CB -0.685 68.208 68.868 0.042 0.000 0.864 637 T HN 0.309 nan 8.240 nan 0.000 0.444 638 T N 2.023 116.597 114.554 0.032 0.000 2.684 638 T HA -0.084 4.272 4.350 0.010 0.000 0.267 638 T C 2.384 177.145 174.700 0.101 0.000 1.036 638 T CA 1.270 63.403 62.100 0.055 0.000 1.148 638 T CB -0.605 68.302 68.868 0.066 0.000 0.863 638 T HN 0.448 nan 8.240 nan 0.000 0.436 639 A N 1.785 124.700 122.820 0.158 0.000 1.940 639 A HA -0.136 4.191 4.320 0.010 0.000 0.219 639 A C 2.416 179.878 177.584 -0.204 0.000 1.176 639 A CA 1.184 53.215 52.037 -0.009 0.000 0.631 639 A CB -0.377 18.524 19.000 -0.164 0.000 0.814 639 A HN 0.219 nan 8.150 nan 0.000 0.446 640 R N -0.494 119.820 120.500 -0.311 0.000 2.066 640 R HA -0.010 4.336 4.340 0.010 0.000 0.232 640 R C 2.108 178.299 176.300 -0.182 0.000 1.131 640 R CA 1.313 57.220 56.100 -0.321 0.000 0.955 640 R CB -0.914 29.122 30.300 -0.440 0.000 0.851 640 R HN 0.595 nan 8.270 nan 0.000 0.432 641 L N 0.221 121.365 121.223 -0.131 0.000 2.093 641 L HA -0.127 4.219 4.340 0.010 0.000 0.208 641 L C 2.359 179.185 176.870 -0.074 0.000 1.085 641 L CA 1.399 56.183 54.840 -0.093 0.000 0.755 641 L CB -0.744 41.271 42.059 -0.074 0.000 0.904 641 L HN 0.194 nan 8.230 nan 0.000 0.435 642 T N -1.078 113.449 114.554 -0.045 0.000 2.720 642 T HA -0.204 4.152 4.350 0.010 0.000 0.268 642 T C 2.164 176.820 174.700 -0.072 0.000 1.037 642 T CA 1.689 63.775 62.100 -0.023 0.000 1.144 642 T CB -0.250 68.669 68.868 0.084 0.000 0.864 642 T HN 0.235 nan 8.240 nan 0.000 0.444 643 S N 1.268 116.899 115.700 -0.115 0.000 2.359 643 S HA -0.124 4.352 4.470 0.010 0.000 0.223 643 S C 2.606 177.150 174.600 -0.094 0.000 1.039 643 S CA 1.148 59.276 58.200 -0.120 0.000 1.042 643 S CB -0.735 62.380 63.200 -0.142 0.000 0.915 643 S HN 0.633 nan 8.310 nan 0.000 0.439 644 A N 1.134 123.897 122.820 -0.094 0.000 1.873 644 A HA -0.114 4.212 4.320 0.010 0.000 0.218 644 A C 2.359 179.903 177.584 -0.067 0.000 1.193 644 A CA 1.978 53.964 52.037 -0.085 0.000 0.629 644 A CB -1.111 17.834 19.000 -0.091 0.000 0.826 644 A HN 0.364 nan 8.150 nan 0.000 0.447 645 V N 0.446 120.326 119.914 -0.056 0.000 2.332 645 V HA -0.248 3.878 4.120 0.010 0.000 0.248 645 V C 2.951 179.035 176.094 -0.018 0.000 1.055 645 V CA 2.485 64.768 62.300 -0.029 0.000 1.038 645 V CB -1.621 30.192 31.823 -0.016 0.000 0.651 645 V HN 0.852 nan 8.190 nan 0.000 0.450 646 T N -1.796 112.739 114.554 -0.032 0.000 3.035 646 T HA -0.030 4.326 4.350 0.010 0.000 0.268 646 T C 1.634 176.317 174.700 -0.030 0.000 1.109 646 T CA 0.980 63.064 62.100 -0.027 0.000 1.119 646 T CB -0.378 68.463 68.868 -0.045 0.000 0.900 646 T HN 0.404 nan 8.240 nan 0.000 0.503 647 L N -0.077 121.121 121.223 -0.042 0.000 2.552 647 L HA 0.391 4.737 4.340 0.010 0.000 0.227 647 L C 0.499 177.350 176.870 -0.032 0.000 1.146 647 L CA 0.277 55.091 54.840 -0.044 0.000 0.858 647 L CB -0.132 41.888 42.059 -0.065 0.000 0.969 647 L HN 0.322 nan 8.230 nan 0.000 0.451 657 T N -0.196 114.400 114.554 0.069 0.000 2.884 657 T HA 0.495 4.851 4.350 0.010 0.000 0.277 657 T C 0.954 175.521 174.700 -0.221 0.000 0.976 657 T CA 0.233 62.388 62.100 0.092 0.000 0.956 657 T CB 2.242 71.143 68.868 0.055 0.000 1.113 657 T HN 0.713 nan 8.240 nan 0.000 0.554 658 E N -0.138 119.906 120.200 -0.260 0.000 2.072 658 E HA -0.192 4.165 4.350 0.010 0.000 0.191 658 E C 1.929 178.335 176.600 -0.324 0.000 0.985 658 E CA 1.111 57.116 56.400 -0.657 0.000 0.801 658 E CB -0.077 29.399 29.700 -0.373 0.000 0.750 658 E HN 0.836 nan 8.360 nan 0.000 0.452 659 E N 0.193 120.301 120.200 -0.152 0.000 2.153 659 E HA -0.253 4.103 4.350 0.010 0.000 0.194 659 E C 2.051 178.582 176.600 -0.114 0.000 0.988 659 E CA 1.159 57.501 56.400 -0.097 0.000 0.811 659 E CB 0.072 29.745 29.700 -0.044 0.000 0.746 659 E HN 0.394 nan 8.360 nan 0.000 0.466 660 Q N -0.074 119.649 119.800 -0.128 0.000 2.079 660 Q HA -0.147 4.200 4.340 0.010 0.000 0.200 660 Q C 2.291 178.194 176.000 -0.162 0.000 0.974 660 Q CA 1.264 56.995 55.803 -0.120 0.000 0.840 660 Q CB -0.051 28.631 28.738 -0.093 0.000 0.898 660 Q HN 0.308 nan 8.270 nan 0.000 0.430 661 I N 0.415 120.835 120.570 -0.250 0.000 2.286 661 I HA -0.269 3.907 4.170 0.010 0.000 0.248 661 I C 2.311 178.291 176.117 -0.228 0.000 1.115 661 I CA 1.279 62.415 61.300 -0.273 0.000 1.392 661 I CB -0.070 37.677 38.000 -0.423 0.000 1.065 661 I HN 0.059 nan 8.210 nan 0.000 0.418 662 R N 0.185 120.563 120.500 -0.203 0.000 2.075 662 R HA -0.158 4.188 4.340 0.010 0.000 0.232 662 R C 1.952 178.176 176.300 -0.127 0.000 1.126 662 R CA 1.495 57.499 56.100 -0.161 0.000 0.963 662 R CB -0.362 29.869 30.300 -0.115 0.000 0.858 662 R HN 0.315 nan 8.270 nan 0.000 0.435 663 D N 0.499 120.833 120.400 -0.110 0.000 2.092 663 D HA -0.172 4.475 4.640 0.010 0.000 0.193 663 D C 1.817 178.059 176.300 -0.096 0.000 0.994 663 D CA 1.736 55.683 54.000 -0.088 0.000 0.828 663 D CB -0.317 40.436 40.800 -0.079 0.000 0.963 663 D HN 0.254 nan 8.370 nan 0.000 0.450 664 A N 0.934 123.688 122.820 -0.111 0.000 1.908 664 A HA -0.107 4.219 4.320 0.010 0.000 0.218 664 A C 2.311 179.829 177.584 -0.110 0.000 1.181 664 A CA 2.545 54.517 52.037 -0.109 0.000 0.627 664 A CB -0.726 18.206 19.000 -0.113 0.000 0.818 664 A HN 0.261 nan 8.150 nan 0.000 0.445 665 A N -0.683 122.060 122.820 -0.128 0.000 1.930 665 A HA -0.101 4.225 4.320 0.010 0.000 0.217 665 A C 2.232 179.762 177.584 -0.091 0.000 1.175 665 A CA 1.336 53.300 52.037 -0.122 0.000 0.627 665 A CB -0.429 18.469 19.000 -0.169 0.000 0.815 665 A HN 0.523 nan 8.150 nan 0.000 0.443 666 R N -0.802 119.646 120.500 -0.086 0.000 2.096 666 R HA -0.087 4.259 4.340 0.010 0.000 0.235 666 R C 2.384 178.655 176.300 -0.049 0.000 1.127 666 R CA 1.600 57.666 56.100 -0.056 0.000 0.968 666 R CB -0.209 30.061 30.300 -0.049 0.000 0.861 666 R HN 0.461 nan 8.270 nan 0.000 0.440 667 R N -0.315 120.144 120.500 -0.069 0.000 2.115 667 R HA -0.044 4.302 4.340 0.010 0.000 0.226 667 R C 2.107 178.359 176.300 -0.079 0.000 1.100 667 R CA 0.918 56.969 56.100 -0.082 0.000 0.980 667 R CB 0.078 30.312 30.300 -0.110 0.000 0.875 667 R HN 0.056 nan 8.270 nan 0.000 0.445 668 V N 0.178 120.049 119.914 -0.072 0.000 2.649 668 V HA -0.113 4.013 4.120 0.010 0.000 0.248 668 V C 1.960 178.031 176.094 -0.038 0.000 1.054 668 V CA 1.317 63.580 62.300 -0.063 0.000 1.073 668 V CB -0.286 31.496 31.823 -0.068 0.000 0.699 668 V HN 0.288 nan 8.190 nan 0.000 0.463 669 E N 0.691 120.873 120.200 -0.031 0.000 2.118 669 E HA -0.213 4.143 4.350 0.010 0.000 0.195 669 E C 2.220 178.820 176.600 -0.000 0.000 0.992 669 E CA 1.379 57.773 56.400 -0.010 0.000 0.804 669 E CB -0.203 29.495 29.700 -0.002 0.000 0.741 669 E HN 0.592 nan 8.360 nan 0.000 0.458 670 A N 0.355 123.177 122.820 0.002 0.000 2.119 670 A HA 0.022 4.348 4.320 0.010 0.000 0.217 670 A C 0.855 178.451 177.584 0.020 0.000 1.153 670 A CA 0.324 52.372 52.037 0.019 0.000 0.692 670 A CB -0.205 18.817 19.000 0.037 0.000 0.799 670 A HN 0.113 nan 8.150 nan 0.000 0.458 671 L N 1.536 122.763 121.223 0.008 0.000 2.312 671 L HA 0.349 4.695 4.340 0.010 0.000 0.281 671 L C -2.102 174.771 176.870 0.004 0.000 1.070 671 L CA -2.114 52.731 54.840 0.009 0.000 0.805 671 L CB 0.753 42.808 42.059 -0.007 0.000 1.174 671 L HN 0.090 nan 8.230 nan 0.000 0.434 672 P HA 0.206 nan 4.420 nan 0.000 0.276 672 P C -2.270 175.031 177.300 0.001 0.000 1.252 672 P CA -1.662 61.441 63.100 0.005 0.000 0.802 672 P CB 0.340 32.044 31.700 0.007 0.000 1.035 673 P HA -0.095 nan 4.420 nan 0.000 0.228 673 P C 1.312 178.612 177.300 0.001 0.000 1.151 673 P CA 1.114 64.215 63.100 0.001 0.000 0.770 673 P CB -0.367 31.336 31.700 0.005 0.000 0.786 674 T N -0.199 114.357 114.554 0.003 0.000 2.746 674 T HA -0.139 4.217 4.350 0.010 0.000 0.267 674 T C 0.804 175.505 174.700 0.003 0.000 1.039 674 T CA 1.118 63.220 62.100 0.004 0.000 1.142 674 T CB -0.480 68.391 68.868 0.005 0.000 0.866 674 T HN 0.191 nan 8.240 nan 0.000 0.444 675 E N 2.189 122.390 120.200 0.002 0.000 2.344 675 E HA 0.162 4.519 4.350 0.010 0.000 0.270 675 E C -2.596 173.999 176.600 -0.007 0.000 1.021 675 E CA -2.105 54.295 56.400 0.000 0.000 0.887 675 E CB 0.596 30.298 29.700 0.003 0.000 0.997 675 E HN 0.106 nan 8.360 nan 0.000 0.429 676 P HA 0.046 nan 4.420 nan 0.000 0.265 676 P C -0.629 176.656 177.300 -0.025 0.000 1.193 676 P CA 0.423 63.515 63.100 -0.013 0.000 0.765 676 P CB 0.612 32.306 31.700 -0.010 0.000 0.823 677 R N 0.026 120.506 120.500 -0.034 0.000 3.584 677 R HA -0.143 4.203 4.340 0.010 0.000 0.488 677 R C 1.000 177.259 176.300 -0.067 0.000 0.869 677 R CA 0.458 56.526 56.100 -0.054 0.000 1.325 677 R CB -2.517 27.747 30.300 -0.059 0.000 2.015 677 R HN 0.257 nan 8.270 nan 0.000 0.489 678 V N 1.066 120.949 119.914 -0.051 0.000 2.307 678 V HA -0.217 3.909 4.120 0.010 0.000 0.245 678 V C 2.202 178.256 176.094 -0.067 0.000 1.045 678 V CA 2.134 64.402 62.300 -0.053 0.000 1.024 678 V CB -0.365 31.439 31.823 -0.031 0.000 0.651 678 V HN 0.279 nan 8.190 nan 0.000 0.449 679 L N 1.030 122.221 121.223 -0.054 0.000 2.042 679 L HA -0.240 4.106 4.340 0.010 0.000 0.210 679 L C 2.636 179.436 176.870 -0.118 0.000 1.076 679 L CA 2.543 57.350 54.840 -0.054 0.000 0.749 679 L CB -0.972 41.074 42.059 -0.022 0.000 0.893 679 L HN 0.645 nan 8.230 nan 0.000 0.432 680 Q N -1.494 118.212 119.800 -0.156 0.000 2.172 680 Q HA -0.155 4.192 4.340 0.010 0.000 0.200 680 Q C 1.845 177.558 176.000 -0.479 0.000 0.964 680 Q CA 1.388 56.988 55.803 -0.338 0.000 0.855 680 Q CB -0.325 28.278 28.738 -0.226 0.000 0.918 680 Q HN 0.459 nan 8.270 nan 0.000 0.444 681 I N 1.092 121.499 120.570 -0.272 0.000 2.584 681 I HA -0.059 4.117 4.170 0.010 0.000 0.255 681 I C 2.433 178.437 176.117 -0.188 0.000 1.145 681 I CA 0.804 61.968 61.300 -0.226 0.000 1.462 681 I CB -0.936 36.978 38.000 -0.143 0.000 1.102 681 I HN 0.233 nan 8.210 nan 0.000 0.433 682 R N 1.073 121.485 120.500 -0.147 0.000 2.097 682 R HA -0.204 4.142 4.340 0.010 0.000 0.236 682 R C 2.417 178.640 176.300 -0.128 0.000 1.135 682 R CA 2.013 58.054 56.100 -0.100 0.000 0.934 682 R CB -0.519 29.752 30.300 -0.048 0.000 0.846 682 R HN 0.355 nan 8.270 nan 0.000 0.431 683 A N 1.231 123.944 122.820 -0.180 0.000 1.884 683 A HA -0.232 4.095 4.320 0.010 0.000 0.219 683 A C 2.192 179.669 177.584 -0.178 0.000 1.197 683 A CA 1.664 53.593 52.037 -0.181 0.000 0.637 683 A CB -0.768 18.089 19.000 -0.237 0.000 0.827 683 A HN 0.375 nan 8.150 nan 0.000 0.450 684 L N -0.560 120.476 121.223 -0.311 0.000 2.046 684 L HA -0.142 4.204 4.340 0.010 0.000 0.208 684 L C 2.429 179.252 176.870 -0.079 0.000 1.077 684 L CA 1.559 56.301 54.840 -0.162 0.000 0.747 684 L CB -0.163 41.772 42.059 -0.207 0.000 0.896 684 L HN 0.220 nan 8.230 nan 0.000 0.432 685 V N -0.151 119.699 119.914 -0.108 0.000 2.270 685 V HA -0.293 3.833 4.120 0.010 0.000 0.245 685 V C 2.394 178.429 176.094 -0.099 0.000 1.043 685 V CA 1.970 64.211 62.300 -0.099 0.000 1.014 685 V CB -0.380 31.377 31.823 -0.110 0.000 0.645 685 V HN 0.389 nan 8.190 nan 0.000 0.447 686 L N 0.340 121.502 121.223 -0.101 0.000 2.042 686 L HA -0.127 4.219 4.340 0.010 0.000 0.210 686 L C 2.653 179.483 176.870 -0.066 0.000 1.076 686 L CA 1.847 56.623 54.840 -0.108 0.000 0.749 686 L CB -1.251 40.728 42.059 -0.134 0.000 0.893 686 L HN 0.472 nan 8.230 nan 0.000 0.432 687 G N -0.190 108.590 108.800 -0.034 0.000 2.529 687 G HA2 -0.275 3.691 3.960 0.010 0.000 0.219 687 G HA3 -0.275 3.691 3.960 0.010 0.000 0.219 687 G C 1.593 176.516 174.900 0.037 0.000 1.177 687 G CA 0.908 46.019 45.100 0.019 0.000 0.773 687 G HN 0.500 nan 8.290 nan 0.000 0.573 688 G N 0.969 109.784 108.800 0.025 0.000 2.440 688 G HA2 0.024 3.990 3.960 0.010 0.000 0.218 688 G HA3 0.024 3.990 3.960 0.010 0.000 0.218 688 G C 2.032 176.986 174.900 0.089 0.000 1.154 688 G CA 1.590 46.719 45.100 0.047 0.000 0.767 688 G HN 0.745 nan 8.290 nan 0.000 0.552 689 A N 0.157 122.994 122.820 0.029 0.000 2.014 689 A HA 0.207 4.533 4.320 0.010 0.000 0.218 689 A C 2.327 180.050 177.584 0.232 0.000 1.163 689 A CA 1.318 53.398 52.037 0.072 0.000 0.652 689 A CB -0.279 18.608 19.000 -0.188 0.000 0.808 689 A HN 0.433 nan 8.150 nan 0.000 0.449 690 L N -0.447 120.855 121.223 0.133 0.000 2.027 690 L HA -0.153 4.193 4.340 0.010 0.000 0.206 690 L C 1.641 178.607 176.870 0.160 0.000 1.074 690 L CA 2.080 57.003 54.840 0.138 0.000 0.745 690 L CB -0.381 41.713 42.059 0.059 0.000 0.898 690 L HN 0.288 nan 8.230 nan 0.000 0.433 691 D N -0.974 119.514 120.400 0.147 0.000 2.263 691 D HA -0.234 4.413 4.640 0.010 0.000 0.208 691 D C 1.637 178.045 176.300 0.180 0.000 0.971 691 D CA 1.152 55.231 54.000 0.131 0.000 0.867 691 D CB -0.249 40.617 40.800 0.111 0.000 0.929 691 D HN 0.580 nan 8.370 nan 0.000 0.492 692 W N 1.413 122.751 121.300 0.063 0.000 2.409 692 W HA 0.011 4.678 4.660 0.010 0.000 0.299 692 W C 1.936 178.503 176.519 0.081 0.000 1.203 692 W CA 0.637 58.028 57.345 0.077 0.000 1.298 692 W CB -0.341 29.186 29.460 0.111 0.000 1.127 692 W HN -0.146 nan 8.180 nan 0.000 0.528 693 L N 0.989 122.355 121.223 0.237 0.000 2.450 693 L HA -0.186 4.160 4.340 0.010 0.000 0.224 693 L C 2.098 178.922 176.870 -0.077 0.000 1.149 693 L CA 1.166 56.036 54.840 0.049 0.000 0.816 693 L CB -0.612 41.581 42.059 0.224 0.000 0.932 693 L HN 0.023 nan 8.230 nan 0.000 0.449 694 K N 0.072 120.442 120.400 -0.051 0.000 2.147 694 K HA -0.157 4.170 4.320 0.010 0.000 0.205 694 K C 0.623 177.144 176.600 -0.131 0.000 1.049 694 K CA 1.478 57.727 56.287 -0.064 0.000 0.936 694 K CB 0.044 32.529 32.500 -0.025 0.000 0.722 694 K HN 0.274 nan 8.250 nan 0.000 0.446 695 D N -0.612 119.650 120.400 -0.230 0.000 2.513 695 D HA 0.157 4.804 4.640 0.010 0.000 0.222 695 D C -0.672 175.373 176.300 -0.424 0.000 1.210 695 D CA -0.095 53.747 54.000 -0.265 0.000 0.825 695 D CB 0.519 41.195 40.800 -0.206 0.000 1.037 695 D HN 0.030 nan 8.370 nan 0.000 0.506 696 N N 0.152 118.496 118.700 -0.594 0.000 2.708 696 N HA 0.292 5.038 4.740 0.010 0.000 0.257 696 N C -1.120 174.012 175.510 -0.631 0.000 1.373 696 N CA -0.604 51.942 53.050 -0.840 0.000 0.843 696 N CB 1.992 39.323 38.487 -1.927 0.000 1.503 696 N HN -0.181 nan 8.380 nan 0.000 0.504 697 K N 0.711 120.836 120.400 -0.458 0.000 2.270 697 K HA 0.675 5.001 4.320 0.010 0.000 0.255 697 K C -0.700 175.842 176.600 -0.096 0.000 0.936 697 K CA -0.620 55.532 56.287 -0.225 0.000 0.809 697 K CB 2.163 34.582 32.500 -0.136 0.000 1.131 697 K HN 0.609 nan 8.250 nan 0.000 0.427 698 A N 1.084 123.789 122.820 -0.192 0.000 2.354 698 A HA 0.242 4.569 4.320 0.010 0.000 0.269 698 A C 0.442 177.913 177.584 -0.188 0.000 1.109 698 A CA -0.345 51.462 52.037 -0.382 0.000 0.800 698 A CB 0.283 18.565 19.000 -1.196 0.000 1.045 698 A HN 0.752 nan 8.150 nan 0.000 0.489 699 S N 0.783 116.421 115.700 -0.104 0.000 2.664 699 S HA 0.349 4.825 4.470 0.010 0.000 0.245 699 S C 0.251 174.852 174.600 0.001 0.000 1.019 699 S CA -0.114 58.067 58.200 -0.032 0.000 0.996 699 S CB 0.003 63.206 63.200 0.006 0.000 0.878 699 S HN 0.607 nan 8.310 nan 0.000 0.493 700 T N 1.979 116.534 114.554 0.001 0.000 2.916 700 T HA 0.449 4.806 4.350 0.010 0.000 0.292 700 T C 0.076 174.900 174.700 0.206 0.000 1.055 700 T CA -0.722 61.454 62.100 0.126 0.000 1.009 700 T CB 1.603 70.584 68.868 0.190 0.000 1.118 700 T HN 0.042 nan 8.240 nan 0.000 0.497 701 N N 1.574 120.425 118.700 0.253 0.000 2.280 701 N HA 0.057 4.803 4.740 0.010 0.000 0.192 701 N C -0.108 175.637 175.510 0.392 0.000 1.109 701 N CA 0.211 53.428 53.050 0.278 0.000 0.855 701 N CB 0.205 38.810 38.487 0.197 0.000 0.974 701 N HN 0.757 nan 8.380 nan 0.000 0.482 702 H N -1.512 117.701 119.070 0.238 0.000 3.094 702 H HA 0.268 4.830 4.556 0.010 0.000 0.335 702 H C -1.788 173.537 175.328 -0.004 0.000 1.254 702 H CA -0.670 55.457 56.048 0.131 0.000 1.240 702 H CB 0.559 30.357 29.762 0.061 0.000 1.936 702 H HN -0.316 nan 8.280 nan 0.000 0.536 703 I N 4.453 124.895 120.570 -0.213 0.000 2.418 703 I HA 0.168 4.345 4.170 0.010 0.000 0.287 703 I C 1.301 177.410 176.117 -0.013 0.000 1.008 703 I CA -0.711 60.398 61.300 -0.318 0.000 1.104 703 I CB 1.254 38.940 38.000 -0.522 0.000 1.264 703 I HN 0.851 nan 8.210 nan 0.000 0.438 704 L N 6.107 127.333 121.223 0.005 0.000 4.367 704 L HA -0.335 4.011 4.340 0.010 0.000 0.424 704 L C 1.131 178.057 176.870 0.092 0.000 1.152 704 L CA 0.854 55.750 54.840 0.094 0.000 0.974 704 L CB -1.734 40.389 42.059 0.106 0.000 2.012 704 L HN 1.062 nan 8.230 nan 0.000 0.922 705 G N -1.969 106.918 108.800 0.145 0.000 2.238 705 G HA2 -0.266 3.701 3.960 0.010 0.000 0.217 705 G HA3 -0.266 3.701 3.960 0.010 0.000 0.217 705 G C 0.002 174.728 174.900 -0.291 0.000 0.996 705 G CA 0.032 45.048 45.100 -0.140 0.000 0.632 705 G HN 0.170 nan 8.290 nan 0.000 0.503 706 F N 2.084 122.087 119.950 0.088 0.000 2.399 706 F HA 0.579 5.112 4.527 0.010 0.000 0.334 706 F C -1.826 174.046 175.800 0.121 0.000 1.097 706 F CA -2.500 55.545 58.000 0.077 0.000 1.076 706 F CB 1.255 40.278 39.000 0.038 0.000 1.162 706 F HN -0.208 nan 8.300 nan 0.000 0.495 707 P HA -0.155 nan 4.420 nan 0.000 0.262 707 P C -0.091 177.413 177.300 0.340 0.000 1.182 707 P CA 0.248 63.520 63.100 0.287 0.000 0.761 707 P CB 0.145 31.990 31.700 0.241 0.000 0.795 708 F N 4.569 124.621 119.950 0.169 0.000 2.668 708 F HA 0.111 4.644 4.527 0.010 0.000 0.365 708 F C 0.471 176.354 175.800 0.139 0.000 1.165 708 F CA -0.222 57.863 58.000 0.142 0.000 1.344 708 F CB -1.299 37.767 39.000 0.111 0.000 1.658 708 F HN 0.117 nan 8.300 nan 0.000 0.620 709 T N -3.513 111.283 114.554 0.404 0.000 2.930 709 T HA 0.283 4.640 4.350 0.010 0.000 0.290 709 T C 1.291 176.148 174.700 0.263 0.000 1.052 709 T CA -0.531 61.734 62.100 0.276 0.000 1.017 709 T CB 1.624 70.614 68.868 0.202 0.000 1.137 709 T HN -0.048 nan 8.240 nan 0.000 0.511 710 S N -0.238 115.581 115.700 0.198 0.000 2.387 710 S HA -0.201 4.275 4.470 0.010 0.000 0.230 710 S C 1.729 176.411 174.600 0.136 0.000 1.035 710 S CA 1.332 59.623 58.200 0.151 0.000 1.014 710 S CB -0.791 62.474 63.200 0.107 0.000 0.836 710 S HN 0.849 nan 8.310 nan 0.000 0.466 711 H N 0.665 119.782 119.070 0.077 0.000 2.357 711 H HA -0.038 4.524 4.556 0.010 0.000 0.301 711 H C 2.295 177.663 175.328 0.067 0.000 1.082 711 H CA 1.694 57.779 56.048 0.062 0.000 1.342 711 H CB -0.714 29.086 29.762 0.063 0.000 1.389 711 H HN 0.440 nan 8.280 nan 0.000 0.511 712 G N 0.880 109.863 108.800 0.304 0.000 2.402 712 G HA2 -0.159 3.807 3.960 0.010 0.000 0.216 712 G HA3 -0.159 3.807 3.960 0.010 0.000 0.216 712 G C 2.099 177.048 174.900 0.081 0.000 1.162 712 G CA 0.659 45.925 45.100 0.277 0.000 0.777 712 G HN 0.358 nan 8.290 nan 0.000 0.539 713 L N -0.405 120.849 121.223 0.052 0.000 2.056 713 L HA -0.002 4.345 4.340 0.010 0.000 0.207 713 L C 3.131 179.905 176.870 -0.160 0.000 1.078 713 L CA 0.960 55.761 54.840 -0.065 0.000 0.749 713 L CB -0.348 41.723 42.059 0.020 0.000 0.901 713 L HN 0.107 nan 8.230 nan 0.000 0.433 714 R N -0.254 120.178 120.500 -0.113 0.000 2.091 714 R HA -0.191 4.156 4.340 0.010 0.000 0.238 714 R C 2.249 178.417 176.300 -0.220 0.000 1.136 714 R CA 1.318 57.328 56.100 -0.149 0.000 0.959 714 R CB -0.465 29.753 30.300 -0.137 0.000 0.856 714 R HN 0.171 nan 8.270 nan 0.000 0.437 715 L N 0.078 121.151 121.223 -0.251 0.000 2.046 715 L HA -0.061 4.286 4.340 0.010 0.000 0.208 715 L C 2.181 178.763 176.870 -0.481 0.000 1.077 715 L CA 2.078 56.772 54.840 -0.243 0.000 0.747 715 L CB -0.784 41.238 42.059 -0.061 0.000 0.896 715 L HN 0.225 nan 8.230 nan 0.000 0.432 716 G N -1.258 106.969 108.800 -0.956 0.000 2.433 716 G HA2 -0.212 3.755 3.960 0.010 0.000 0.216 716 G HA3 -0.212 3.755 3.960 0.010 0.000 0.216 716 G C 1.532 176.027 174.900 -0.674 0.000 1.186 716 G CA 1.037 45.124 45.100 -1.688 0.000 0.779 716 G HN 0.296 nan 8.290 nan 0.000 0.543 717 V N 0.705 120.383 119.914 -0.393 0.000 2.255 717 V HA -0.218 3.908 4.120 0.010 0.000 0.247 717 V C 2.598 178.603 176.094 -0.147 0.000 1.051 717 V CA 2.357 64.540 62.300 -0.195 0.000 1.018 717 V CB -0.509 31.244 31.823 -0.117 0.000 0.641 717 V HN 0.546 nan 8.190 nan 0.000 0.445 718 E N 0.146 120.250 120.200 -0.161 0.000 2.033 718 E HA -0.311 4.045 4.350 0.010 0.000 0.199 718 E C 2.272 178.821 176.600 -0.086 0.000 1.011 718 E CA 1.831 58.167 56.400 -0.107 0.000 0.815 718 E CB -0.274 29.361 29.700 -0.108 0.000 0.755 718 E HN 0.544 nan 8.360 nan 0.000 0.451 719 A N 0.448 123.203 122.820 -0.108 0.000 1.908 719 A HA -0.190 4.137 4.320 0.010 0.000 0.218 719 A C 2.387 179.964 177.584 -0.012 0.000 1.181 719 A CA 1.999 54.019 52.037 -0.028 0.000 0.627 719 A CB -0.613 18.418 19.000 0.051 0.000 0.818 719 A HN 0.293 nan 8.150 nan 0.000 0.445 720 S N -0.203 115.470 115.700 -0.045 0.000 2.370 720 S HA -0.117 4.359 4.470 0.010 0.000 0.226 720 S C 1.815 176.416 174.600 0.001 0.000 1.033 720 S CA 1.571 59.760 58.200 -0.019 0.000 1.011 720 S CB -0.447 62.724 63.200 -0.049 0.000 0.852 720 S HN 0.519 nan 8.310 nan 0.000 0.457 721 L N 0.768 121.990 121.223 -0.003 0.000 2.056 721 L HA -0.032 4.314 4.340 0.010 0.000 0.207 721 L C 2.661 179.527 176.870 -0.007 0.000 1.078 721 L CA 1.137 55.985 54.840 0.013 0.000 0.749 721 L CB -0.393 41.666 42.059 0.001 0.000 0.901 721 L HN 0.186 nan 8.230 nan 0.000 0.433 722 R N -0.799 119.691 120.500 -0.017 0.000 2.148 722 R HA -0.117 4.229 4.340 0.010 0.000 0.227 722 R C 2.570 178.865 176.300 -0.009 0.000 1.103 722 R CA 1.368 57.456 56.100 -0.021 0.000 0.983 722 R CB -0.318 29.970 30.300 -0.019 0.000 0.874 722 R HN 0.280 nan 8.270 nan 0.000 0.451 723 S N 0.821 116.524 115.700 0.005 0.000 2.395 723 S HA -0.011 4.466 4.470 0.010 0.000 0.225 723 S C 1.948 176.558 174.600 0.017 0.000 1.027 723 S CA 0.572 58.780 58.200 0.013 0.000 0.965 723 S CB 0.021 63.234 63.200 0.022 0.000 0.812 723 S HN 0.200 nan 8.310 nan 0.000 0.482 724 L N 1.246 122.484 121.223 0.025 0.000 2.093 724 L HA 0.004 4.350 4.340 0.010 0.000 0.208 724 L C 3.000 179.890 176.870 0.034 0.000 1.085 724 L CA 1.116 55.984 54.840 0.048 0.000 0.755 724 L CB -0.649 41.463 42.059 0.089 0.000 0.904 724 L HN 0.439 nan 8.230 nan 0.000 0.435 725 A N -0.072 122.746 122.820 -0.004 0.000 1.940 725 A HA -0.232 4.094 4.320 0.010 0.000 0.219 725 A C 2.371 179.947 177.584 -0.014 0.000 1.176 725 A CA 1.559 53.576 52.037 -0.033 0.000 0.631 725 A CB -0.499 18.461 19.000 -0.066 0.000 0.814 725 A HN 0.313 nan 8.150 nan 0.000 0.446 726 R N -0.664 119.832 120.500 -0.007 0.000 2.237 726 R HA -0.049 4.297 4.340 0.010 0.000 0.219 726 R C 1.297 177.605 176.300 0.014 0.000 1.080 726 R CA 1.336 57.435 56.100 -0.002 0.000 0.995 726 R CB -0.087 30.212 30.300 -0.002 0.000 0.875 726 R HN 0.572 nan 8.270 nan 0.000 0.462 727 V N -3.672 116.258 119.914 0.028 0.000 3.427 727 V HA 0.423 4.549 4.120 0.010 0.000 0.305 727 V C 0.470 176.601 176.094 0.061 0.000 1.412 727 V CA -0.359 61.965 62.300 0.039 0.000 1.086 727 V CB 0.414 32.258 31.823 0.036 0.000 0.964 727 V HN 0.031 nan 8.190 nan 0.000 0.439 728 A N 2.168 125.034 122.820 0.077 0.000 2.484 728 A HA 0.529 4.856 4.320 0.010 0.000 0.268 728 A C -0.870 176.778 177.584 0.107 0.000 1.114 728 A CA -0.697 51.421 52.037 0.134 0.000 0.780 728 A CB -0.007 19.091 19.000 0.163 0.000 1.061 728 A HN 0.420 nan 8.150 nan 0.000 0.505 729 P HA -0.003 nan 4.420 nan 0.000 0.239 729 P C 0.224 177.566 177.300 0.071 0.000 1.184 729 P CA 1.372 64.514 63.100 0.069 0.000 0.760 729 P CB -0.014 31.720 31.700 0.056 0.000 0.884 730 T N -4.995 109.617 114.554 0.098 0.000 2.900 730 T HA 0.308 4.665 4.350 0.010 0.000 0.295 730 T C 0.751 175.521 174.700 0.116 0.000 1.044 730 T CA -0.785 61.373 62.100 0.097 0.000 0.995 730 T CB 1.829 70.756 68.868 0.099 0.000 1.072 730 T HN -0.158 nan 8.240 nan 0.000 0.473 731 Q N 0.233 120.096 119.800 0.105 0.000 2.226 731 Q HA -0.098 4.249 4.340 0.010 0.000 0.204 731 Q C 2.362 178.486 176.000 0.207 0.000 0.975 731 Q CA 1.056 56.936 55.803 0.129 0.000 0.866 731 Q CB -0.034 28.783 28.738 0.132 0.000 0.915 731 Q HN 0.643 nan 8.270 nan 0.000 0.440 732 R N -0.033 120.574 120.500 0.178 0.000 2.081 732 R HA -0.176 4.170 4.340 0.010 0.000 0.235 732 R C 2.060 178.484 176.300 0.208 0.000 1.131 732 R CA 1.342 57.548 56.100 0.177 0.000 0.960 732 R CB -0.188 30.178 30.300 0.109 0.000 0.856 732 R HN 0.416 nan 8.270 nan 0.000 0.436 733 H N 0.095 119.217 119.070 0.086 0.000 2.462 733 H HA -0.085 4.477 4.556 0.010 0.000 0.292 733 H C 2.177 177.546 175.328 0.068 0.000 1.049 733 H CA 1.363 57.452 56.048 0.068 0.000 1.334 733 H CB 0.257 30.050 29.762 0.052 0.000 1.404 733 H HN 0.178 nan 8.280 nan 0.000 0.544 734 R N -0.116 120.405 120.500 0.035 0.000 2.080 734 R HA -0.217 4.129 4.340 0.010 0.000 0.236 734 R C 1.862 178.111 176.300 -0.084 0.000 1.137 734 R CA 1.884 57.952 56.100 -0.053 0.000 0.943 734 R CB -0.691 29.587 30.300 -0.037 0.000 0.846 734 R HN 0.241 nan 8.270 nan 0.000 0.431 735 Y N 0.797 121.068 120.300 -0.048 0.000 2.193 735 Y HA -0.235 4.322 4.550 0.010 0.000 0.285 735 Y C 2.531 178.388 175.900 -0.072 0.000 1.166 735 Y CA 2.219 60.293 58.100 -0.044 0.000 1.181 735 Y CB -0.427 38.022 38.460 -0.019 0.000 0.976 735 Y HN 0.201 nan 8.280 nan 0.000 0.520 736 T N 0.201 114.783 114.554 0.046 0.000 2.674 736 T HA -0.178 4.179 4.350 0.010 0.000 0.265 736 T C 2.037 176.667 174.700 -0.117 0.000 1.039 736 T CA 1.612 63.686 62.100 -0.044 0.000 1.150 736 T CB -0.579 68.238 68.868 -0.085 0.000 0.864 736 T HN 0.207 nan 8.240 nan 0.000 0.427 737 L N 0.660 121.748 121.223 -0.226 0.000 2.056 737 L HA -0.066 4.280 4.340 0.010 0.000 0.207 737 L C 2.675 179.489 176.870 -0.094 0.000 1.078 737 L CA 0.748 55.484 54.840 -0.174 0.000 0.749 737 L CB -0.744 41.193 42.059 -0.203 0.000 0.901 737 L HN 0.121 nan 8.230 nan 0.000 0.433 738 V N 0.009 119.870 119.914 -0.090 0.000 2.255 738 V HA -0.343 3.783 4.120 0.010 0.000 0.247 738 V C 2.288 178.360 176.094 -0.036 0.000 1.051 738 V CA 2.194 64.450 62.300 -0.073 0.000 1.018 738 V CB -0.513 31.238 31.823 -0.120 0.000 0.641 738 V HN 0.476 nan 8.190 nan 0.000 0.445 739 D N -0.227 120.170 120.400 -0.005 0.000 2.126 739 D HA -0.249 4.397 4.640 0.010 0.000 0.190 739 D C 2.143 178.436 176.300 -0.011 0.000 1.001 739 D CA 2.027 56.034 54.000 0.011 0.000 0.841 739 D CB -0.221 40.600 40.800 0.036 0.000 0.949 739 D HN 0.375 nan 8.370 nan 0.000 0.446 740 M N -0.363 119.222 119.600 -0.025 0.000 2.213 740 M HA -0.105 4.381 4.480 0.010 0.000 0.263 740 M C 2.225 178.508 176.300 -0.028 0.000 1.062 740 M CA 1.376 56.659 55.300 -0.028 0.000 1.105 740 M CB -0.093 32.484 32.600 -0.038 0.000 1.385 740 M HN 0.103 nan 8.290 nan 0.000 0.417 741 A N 0.897 123.697 122.820 -0.034 0.000 1.855 741 A HA -0.149 4.177 4.320 0.010 0.000 0.215 741 A C 1.828 179.391 177.584 -0.035 0.000 1.191 741 A CA 1.667 53.682 52.037 -0.037 0.000 0.613 741 A CB -0.731 18.245 19.000 -0.040 0.000 0.829 741 A HN 0.449 nan 8.150 nan 0.000 0.442 742 N N 0.117 118.801 118.700 -0.028 0.000 2.137 742 N HA -0.171 4.575 4.740 0.010 0.000 0.190 742 N C 1.559 177.057 175.510 -0.021 0.000 1.017 742 N CA 1.740 54.778 53.050 -0.021 0.000 0.859 742 N CB -0.335 38.145 38.487 -0.011 0.000 1.002 742 N HN 0.437 nan 8.380 nan 0.000 0.428 743 K N 0.438 120.826 120.400 -0.019 0.000 2.057 743 K HA 0.043 4.370 4.320 0.010 0.000 0.206 743 K C 1.877 178.462 176.600 -0.025 0.000 1.050 743 K CA 0.281 56.557 56.287 -0.018 0.000 0.935 743 K CB -0.377 32.114 32.500 -0.014 0.000 0.715 743 K HN -0.035 nan 8.250 nan 0.000 0.439 744 V N 0.748 120.642 119.914 -0.033 0.000 2.951 744 V HA 0.018 4.144 4.120 0.010 0.000 0.255 744 V C 0.555 176.610 176.094 -0.065 0.000 1.088 744 V CA 0.100 62.374 62.300 -0.043 0.000 1.109 744 V CB -0.239 31.558 31.823 -0.043 0.000 0.724 744 V HN 0.245 nan 8.190 nan 0.000 0.471 745 R N 1.965 122.427 120.500 -0.064 0.000 2.481 745 R HA -0.018 4.328 4.340 0.010 0.000 0.291 745 R C -2.019 174.223 176.300 -0.097 0.000 0.934 745 R CA -0.571 55.481 56.100 -0.081 0.000 1.116 745 R CB 0.178 30.446 30.300 -0.053 0.000 0.895 745 R HN 0.355 nan 8.270 nan 0.000 0.410 746 P HA 0.000 nan 4.420 nan 0.000 0.216 746 P CA 0.000 62.977 63.100 -0.205 0.000 0.800 746 P CB 0.000 31.353 31.700 -0.578 0.000 0.726