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 2g56_1_A DATA FIRST_RESID 45 DATA SEQUENCE PAIKRIGNHI TKSPEDKREY RGLELANGIK VLLISDPTTD KSSAALDVHI DATA SEQUENCE GSLSDPPNIA GLSHFCQHML FLGTKKYPKE NEYSQFLSEH AGSSNAFTSG DATA SEQUENCE EHTNYYFDVS HEHLEGALDR FAQFFLCPLF DESCKDREVN AVDSEHEKNV DATA SEQUENCE MNDAWRLFQL EKATGNPKHP FSKFGTGNKY TLETRPNQEG IDVRQELLKF DATA SEQUENCE HSAYYSSNLM AVCVLGRESL DDLTNLVVKL FSEVENKNVP LPEFPEHPFQ DATA SEQUENCE EEHLKQLYKI VPIKDIRNLY VTFPIPDLQK YYKSNPGHYL GHLIGHEGPG DATA SEQUENCE SLLSELKSKG WVNTLVGGQK EGARGFMFFI INVDLTEEGL LHVEDIILHM DATA SEQUENCE FQYIQKLRAE GPQEWVFQEC KDLNAVAFRF KDKERPRGYT SKIAGILHYY DATA SEQUENCE PLEEVLTAEY LLEEFRPDLI EMVLDKLRPE NVRVAIVSKS FEGKTDRTEE DATA SEQUENCE WYGTQYKQEA IPDEVIKKWQ NADLNGKFKL PTKNEFIPTN FEILPLEKEA DATA SEQUENCE TPYPALIKDT AMSKLWFKQD DKFFLPKACL NFEFFSPFAY VDPLHCNMAY DATA SEQUENCE LYLELLKDSL NEYAYAAELA GLSYDLQNTI YGMYLSVKGY NDKQPILLKK DATA SEQUENCE IIEKMATFEI DEKRFEIIKE AYMRSLNNFR AEQPHQHAMY YLRLLMTEVA DATA SEQUENCE WTKDELKEAL DDVTLPRLKA FIPQLLSRLH IEALLHGNIT KQAALGIMQM DATA SEQUENCE VEDTLIEHAH TKPLLPSQLV RYREVQLPDR GWFVYQQRNE VHNNCGIEIY DATA SEQUENCE YQTDMQSTSE NMFLELFCQI ISEPCFNTLR TKEQLGYIVF SGPRRANGIQ DATA SEQUENCE GLRFIIQSEK PPHYLESRVE AFLITMEKSI EDMTEEAFQK HIQALAIRRL DATA SEQUENCE DKPKKLSAEC AKYWGEIISQ QYNFDRDNTE VAYLKTLTKE DIIKFYKEML DATA SEQUENCE AVDAPRRHKV SVHVLAREMD SCPVVGXXXX XXXXNLSQAP ALPQPEVIQN DATA SEQUENCE MTEFKRGLPL FPLVKPHINF MA 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 45 P HA 0.000 nan 4.420 nan 0.000 0.216 45 P C 0.000 177.308 177.300 0.013 0.000 1.155 45 P CA 0.000 63.106 63.100 0.011 0.000 0.800 45 P CB 0.000 31.706 31.700 0.010 0.000 0.726 46 A N 0.426 123.256 122.820 0.017 0.000 2.168 46 A HA 0.263 4.584 4.320 0.001 0.000 0.215 46 A C 1.158 178.755 177.584 0.023 0.000 1.152 46 A CA 0.521 52.572 52.037 0.022 0.000 0.716 46 A CB -0.615 18.402 19.000 0.029 0.000 0.794 46 A HN 0.342 nan 8.150 nan 0.000 0.465 47 I N -0.778 119.803 120.570 0.018 0.000 2.392 47 I HA 0.188 4.358 4.170 0.001 0.000 0.295 47 I C 1.158 177.281 176.117 0.010 0.000 0.985 47 I CA -0.363 60.945 61.300 0.014 0.000 1.221 47 I CB 1.878 39.886 38.000 0.013 0.000 1.366 47 I HN 0.145 nan 8.210 nan 0.000 0.467 48 K N 5.446 125.850 120.400 0.007 0.000 2.308 48 K HA 0.240 4.561 4.320 0.001 0.000 0.197 48 K C 0.493 177.096 176.600 0.005 0.000 1.049 48 K CA 0.346 56.636 56.287 0.005 0.000 0.991 48 K CB 0.778 33.279 32.500 0.003 0.000 0.836 48 K HN 0.624 nan 8.250 nan 0.000 0.500 49 R N 0.374 120.876 120.500 0.004 0.000 2.644 49 R HA 0.273 4.613 4.340 0.001 0.000 0.257 49 R C -1.896 174.406 176.300 0.004 0.000 1.082 49 R CA -0.474 55.629 56.100 0.005 0.000 0.927 49 R CB 1.114 31.417 30.300 0.005 0.000 1.258 49 R HN 0.011 nan 8.270 nan 0.000 0.459 50 I N 3.793 124.366 120.570 0.006 0.000 2.405 50 I HA 0.309 4.480 4.170 0.001 0.000 0.280 50 I C 1.016 177.137 176.117 0.008 0.000 1.027 50 I CA -0.748 60.554 61.300 0.003 0.000 1.161 50 I CB 1.641 39.640 38.000 -0.001 0.000 1.300 50 I HN 0.826 nan 8.210 nan 0.000 0.463 51 G N 5.263 114.070 108.800 0.011 0.000 2.760 51 G HA2 -0.034 3.927 3.960 0.001 0.000 0.236 51 G HA3 -0.034 3.927 3.960 0.001 0.000 0.236 51 G C 0.100 175.018 174.900 0.030 0.000 1.243 51 G CA -0.140 44.974 45.100 0.023 0.000 0.850 51 G HN 0.721 nan 8.290 nan 0.000 0.595 52 N N -0.833 117.907 118.700 0.067 0.000 2.332 52 N HA 0.095 4.836 4.740 0.001 0.000 0.285 52 N C -0.389 175.198 175.510 0.128 0.000 1.292 52 N CA -0.612 52.519 53.050 0.136 0.000 0.947 52 N CB 0.088 38.706 38.487 0.218 0.000 1.084 52 N HN 0.532 nan 8.380 nan 0.000 0.529 53 H N 0.618 119.700 119.070 0.020 0.000 3.070 53 H HA 0.044 4.601 4.556 0.001 0.000 0.313 53 H C -0.277 175.061 175.328 0.016 0.000 0.997 53 H CA 0.200 56.263 56.048 0.025 0.000 1.438 53 H CB -0.066 29.708 29.762 0.020 0.000 1.455 53 H HN 0.245 nan 8.280 nan 0.000 0.575 54 I N 3.874 124.511 120.570 0.112 0.000 2.347 54 I HA -0.002 4.168 4.170 0.001 0.000 0.294 54 I C 0.539 176.660 176.117 0.007 0.000 1.090 54 I CA -0.248 61.075 61.300 0.038 0.000 1.314 54 I CB -0.459 37.550 38.000 0.015 0.000 1.423 54 I HN 0.570 nan 8.210 nan 0.000 0.503 55 T N 8.268 122.823 114.554 0.001 0.000 2.792 55 T HA 0.093 4.444 4.350 0.001 0.000 0.286 55 T C 0.540 175.239 174.700 -0.003 0.000 0.970 55 T CA 0.152 62.254 62.100 0.002 0.000 1.187 55 T CB 0.055 68.909 68.868 -0.024 0.000 0.915 55 T HN 0.659 nan 8.240 nan 0.000 0.529 56 K N 0.956 121.378 120.400 0.035 0.000 2.409 56 K HA 0.711 5.031 4.320 0.001 0.000 0.252 56 K C -0.267 176.374 176.600 0.068 0.000 1.036 56 K CA -1.025 55.283 56.287 0.035 0.000 0.871 56 K CB 1.464 33.901 32.500 -0.105 0.000 1.374 56 K HN 0.318 nan 8.250 nan 0.000 0.459 57 S N 0.732 116.304 115.700 -0.214 0.000 2.565 57 S HA 0.185 4.655 4.470 0.001 0.000 0.276 57 S C -1.405 173.080 174.600 -0.192 0.000 1.326 57 S CA -1.559 56.402 58.200 -0.397 0.000 1.045 57 S CB 0.511 63.179 63.200 -0.886 0.000 0.918 57 S HN 0.611 nan 8.310 nan 0.000 0.505 58 P HA -0.054 nan 4.420 nan 0.000 0.222 58 P C 0.627 177.878 177.300 -0.082 0.000 1.147 58 P CA 0.863 63.907 63.100 -0.093 0.000 0.790 58 P CB 0.169 31.812 31.700 -0.094 0.000 0.780 59 E N -0.148 119.973 120.200 -0.130 0.000 2.371 59 E HA -0.034 4.317 4.350 0.001 0.000 0.194 59 E C 0.386 176.964 176.600 -0.037 0.000 1.012 59 E CA 0.439 56.804 56.400 -0.059 0.000 0.860 59 E CB -0.378 29.290 29.700 -0.053 0.000 0.811 59 E HN 0.265 nan 8.360 nan 0.000 0.502 60 D N 1.126 121.485 120.400 -0.068 0.000 2.325 60 D HA 0.050 4.690 4.640 0.001 0.000 0.251 60 D C 0.541 176.870 176.300 0.049 0.000 1.196 60 D CA 0.094 54.091 54.000 -0.005 0.000 0.866 60 D CB 0.764 41.570 40.800 0.009 0.000 1.101 60 D HN -0.165 nan 8.370 nan 0.000 0.476 61 K N 2.479 122.903 120.400 0.041 0.000 2.379 61 K HA 0.125 4.445 4.320 0.001 0.000 0.194 61 K C 0.712 177.321 176.600 0.015 0.000 1.031 61 K CA -0.111 56.194 56.287 0.031 0.000 1.037 61 K CB 0.541 33.052 32.500 0.018 0.000 0.824 61 K HN 0.241 nan 8.250 nan 0.000 0.516 62 R N 1.689 122.194 120.500 0.008 0.000 2.784 62 R HA 0.056 4.397 4.340 0.001 0.000 0.266 62 R C 0.027 176.221 176.300 -0.176 0.000 1.044 62 R CA 0.329 56.354 56.100 -0.124 0.000 1.151 62 R CB 0.383 30.557 30.300 -0.209 0.000 1.037 62 R HN 0.041 nan 8.270 nan 0.000 0.478 63 E N 1.754 121.775 120.200 -0.298 0.000 2.191 63 E HA 0.238 4.589 4.350 0.001 0.000 0.274 63 E C -1.048 175.328 176.600 -0.373 0.000 0.948 63 E CA -0.424 55.865 56.400 -0.185 0.000 0.802 63 E CB 1.544 31.187 29.700 -0.094 0.000 1.137 63 E HN 0.369 nan 8.360 nan 0.000 0.397 64 Y N 0.505 120.812 120.300 0.011 0.000 2.446 64 Y HA 0.474 5.025 4.550 0.001 0.000 0.345 64 Y C 0.324 176.217 175.900 -0.011 0.000 0.984 64 Y CA -0.933 57.170 58.100 0.005 0.000 1.058 64 Y CB 2.238 40.709 38.460 0.018 0.000 1.220 64 Y HN 0.328 nan 8.280 nan 0.000 0.455 65 R N 1.291 121.870 120.500 0.132 0.000 2.512 65 R HA 0.643 4.983 4.340 0.001 0.000 0.291 65 R C -1.045 175.283 176.300 0.047 0.000 1.097 65 R CA -0.533 55.603 56.100 0.060 0.000 0.940 65 R CB 1.211 31.522 30.300 0.018 0.000 1.198 65 R HN 0.930 nan 8.270 nan 0.000 0.429 66 G N 3.797 112.618 108.800 0.036 0.000 2.389 66 G HA2 0.619 4.580 3.960 0.001 0.000 0.328 66 G HA3 0.619 4.580 3.960 0.001 0.000 0.328 66 G C -1.065 173.836 174.900 0.002 0.000 1.133 66 G CA -0.569 44.540 45.100 0.015 0.000 0.891 66 G HN 0.564 nan 8.290 nan 0.000 0.485 67 L N -1.473 119.743 121.223 -0.011 0.000 2.775 67 L HA 0.830 5.170 4.340 0.001 0.000 0.263 67 L C -0.988 175.869 176.870 -0.023 0.000 1.017 67 L CA -1.171 53.662 54.840 -0.011 0.000 0.891 67 L CB 2.244 44.299 42.059 -0.007 0.000 1.482 67 L HN 0.557 nan 8.230 nan 0.000 0.410 68 E N 1.340 121.531 120.200 -0.015 0.000 2.191 68 E HA 0.622 4.972 4.350 0.001 0.000 0.263 68 E C -1.293 175.301 176.600 -0.009 0.000 0.881 68 E CA -0.730 55.658 56.400 -0.020 0.000 0.757 68 E CB 1.487 31.178 29.700 -0.016 0.000 1.147 68 E HN 0.769 nan 8.360 nan 0.000 0.414 69 L N 2.887 124.105 121.223 -0.008 0.000 2.466 69 L HA 0.258 4.598 4.340 0.001 0.000 0.257 69 L C 1.603 178.478 176.870 0.009 0.000 1.189 69 L CA 0.030 54.875 54.840 0.009 0.000 0.813 69 L CB 0.667 42.741 42.059 0.024 0.000 1.118 69 L HN 0.799 nan 8.230 nan 0.000 0.471 70 A N 1.322 124.151 122.820 0.015 0.000 2.024 70 A HA -0.188 4.132 4.320 0.001 0.000 0.220 70 A C 1.609 179.200 177.584 0.011 0.000 1.164 70 A CA 1.825 53.869 52.037 0.012 0.000 0.643 70 A CB -0.812 18.196 19.000 0.014 0.000 0.806 70 A HN 0.937 nan 8.150 nan 0.000 0.451 71 N N -1.375 117.336 118.700 0.018 0.000 2.461 71 N HA 0.248 4.989 4.740 0.001 0.000 0.188 71 N C 1.046 176.560 175.510 0.007 0.000 1.134 71 N CA 1.268 54.328 53.050 0.017 0.000 0.878 71 N CB -0.266 38.240 38.487 0.033 0.000 0.972 71 N HN 0.746 nan 8.380 nan 0.000 0.456 72 G N -0.179 108.622 108.800 0.001 0.000 2.213 72 G HA2 -0.250 3.711 3.960 0.001 0.000 0.236 72 G HA3 -0.250 3.711 3.960 0.001 0.000 0.236 72 G C -0.086 174.803 174.900 -0.019 0.000 0.991 72 G CA -0.013 45.082 45.100 -0.009 0.000 0.629 72 G HN 0.363 nan 8.290 nan 0.000 0.517 73 I N 1.868 122.426 120.570 -0.021 0.000 2.662 73 I HA 0.120 4.291 4.170 0.001 0.000 0.285 73 I C 0.740 176.811 176.117 -0.076 0.000 1.161 73 I CA 0.477 61.745 61.300 -0.053 0.000 1.415 73 I CB 0.552 38.520 38.000 -0.054 0.000 1.385 73 I HN 0.036 nan 8.210 nan 0.000 0.552 74 K N 5.920 126.252 120.400 -0.112 0.000 2.258 74 K HA 0.513 4.834 4.320 0.001 0.000 0.284 74 K C -0.861 175.651 176.600 -0.145 0.000 1.051 74 K CA -0.442 55.773 56.287 -0.121 0.000 0.923 74 K CB 1.514 33.923 32.500 -0.151 0.000 1.046 74 K HN 0.329 nan 8.250 nan 0.000 0.474 75 V N 3.957 123.805 119.914 -0.110 0.000 2.769 75 V HA 0.397 4.518 4.120 0.001 0.000 0.312 75 V C -0.780 175.267 176.094 -0.078 0.000 1.061 75 V CA -1.059 61.171 62.300 -0.117 0.000 0.931 75 V CB 2.106 33.864 31.823 -0.108 0.000 1.010 75 V HN 0.596 nan 8.190 nan 0.000 0.433 76 L N 5.244 126.420 121.223 -0.079 0.000 2.372 76 L HA 0.589 4.929 4.340 0.001 0.000 0.273 76 L C -1.139 175.714 176.870 -0.027 0.000 0.989 76 L CA -0.228 54.593 54.840 -0.032 0.000 0.841 76 L CB 1.461 43.498 42.059 -0.036 0.000 1.225 76 L HN 0.596 nan 8.230 nan 0.000 0.414 77 L N 5.782 127.004 121.223 -0.002 0.000 2.325 77 L HA 0.566 4.906 4.340 0.001 0.000 0.279 77 L C -0.331 176.517 176.870 -0.037 0.000 1.054 77 L CA -0.513 54.315 54.840 -0.020 0.000 0.804 77 L CB 1.926 43.976 42.059 -0.015 0.000 1.200 77 L HN 0.483 nan 8.230 nan 0.000 0.436 78 I N 1.824 122.337 120.570 -0.095 0.000 2.468 78 I HA 0.223 4.394 4.170 0.001 0.000 0.285 78 I C -0.423 175.581 176.117 -0.188 0.000 1.039 78 I CA -0.186 60.972 61.300 -0.236 0.000 1.074 78 I CB 2.086 39.968 38.000 -0.197 0.000 1.228 78 I HN 0.481 nan 8.210 nan 0.000 0.436 79 S N 4.386 119.954 115.700 -0.220 0.000 2.437 79 S HA 0.400 4.871 4.470 0.001 0.000 0.305 79 S C -0.937 173.579 174.600 -0.141 0.000 1.109 79 S CA -0.354 57.766 58.200 -0.132 0.000 1.099 79 S CB 0.830 63.974 63.200 -0.093 0.000 1.004 79 S HN 0.629 nan 8.310 nan 0.000 0.475 80 D N 5.053 125.397 120.400 -0.094 0.000 2.330 80 D HA 0.376 5.016 4.640 0.001 0.000 0.249 80 D C -2.227 174.031 176.300 -0.070 0.000 1.306 80 D CA -1.869 52.082 54.000 -0.082 0.000 0.956 80 D CB 1.727 42.484 40.800 -0.072 0.000 1.261 80 D HN 0.181 nan 8.370 nan 0.000 0.544 81 P HA -0.088 nan 4.420 nan 0.000 0.227 81 P C 1.115 178.353 177.300 -0.104 0.000 1.145 81 P CA 1.268 64.324 63.100 -0.072 0.000 0.769 81 P CB 0.301 31.970 31.700 -0.052 0.000 0.769 82 T N -7.508 106.989 114.554 -0.095 0.000 2.990 82 T HA 0.070 4.420 4.350 0.001 0.000 0.249 82 T C 0.964 175.591 174.700 -0.122 0.000 1.039 82 T CA 0.002 62.039 62.100 -0.104 0.000 1.036 82 T CB -1.078 67.753 68.868 -0.062 0.000 0.994 82 T HN -0.069 nan 8.240 nan 0.000 0.489 83 T N 2.214 116.707 114.554 -0.100 0.000 2.905 83 T HA -0.003 4.347 4.350 0.001 0.000 0.299 83 T C 0.609 175.248 174.700 -0.100 0.000 1.024 83 T CA 0.174 62.234 62.100 -0.067 0.000 1.151 83 T CB 0.029 68.881 68.868 -0.027 0.000 0.987 83 T HN 0.204 nan 8.240 nan 0.000 0.535 84 D N 3.709 124.098 120.400 -0.019 0.000 2.305 84 D HA 0.103 4.743 4.640 0.001 0.000 0.206 84 D C 0.418 176.823 176.300 0.175 0.000 0.974 84 D CA 0.964 55.000 54.000 0.060 0.000 0.871 84 D CB 0.404 41.243 40.800 0.065 0.000 0.947 84 D HN 0.525 nan 8.370 nan 0.000 0.516 85 K N 0.305 120.775 120.400 0.118 0.000 2.324 85 K HA 0.441 4.761 4.320 0.001 0.000 0.253 85 K C -0.629 176.039 176.600 0.113 0.000 0.932 85 K CA -0.429 55.938 56.287 0.133 0.000 0.799 85 K CB 2.708 35.267 32.500 0.099 0.000 1.154 85 K HN -0.222 nan 8.250 nan 0.000 0.425 86 S N 0.465 116.248 115.700 0.138 0.000 2.687 86 S HA 0.557 5.028 4.470 0.001 0.000 0.283 86 S C -0.750 173.864 174.600 0.022 0.000 1.170 86 S CA -0.626 57.630 58.200 0.093 0.000 1.008 86 S CB 1.641 64.922 63.200 0.136 0.000 1.026 86 S HN 0.553 nan 8.310 nan 0.000 0.541 87 S N -0.254 115.385 115.700 -0.101 0.000 2.547 87 S HA 0.774 5.244 4.470 0.001 0.000 0.270 87 S C -1.729 172.555 174.600 -0.526 0.000 1.150 87 S CA -0.393 57.586 58.200 -0.368 0.000 0.850 87 S CB 1.276 64.356 63.200 -0.200 0.000 1.118 87 S HN 1.071 nan 8.310 nan 0.000 0.461 88 A N 1.451 123.639 122.820 -1.053 0.000 2.539 88 A HA 1.013 5.334 4.320 0.001 0.000 0.296 88 A C -0.762 176.477 177.584 -0.575 0.000 1.073 88 A CA -0.231 51.390 52.037 -0.695 0.000 0.700 88 A CB 1.445 20.141 19.000 -0.507 0.000 1.296 88 A HN 1.876 nan 8.150 nan 0.000 0.405 89 A N 0.530 123.229 122.820 -0.202 0.000 2.547 89 A HA 0.762 5.083 4.320 0.001 0.000 0.297 89 A C -1.656 176.030 177.584 0.170 0.000 1.056 89 A CA -0.295 51.784 52.037 0.070 0.000 0.688 89 A CB 1.262 20.321 19.000 0.097 0.000 1.282 89 A HN 1.827 nan 8.150 nan 0.000 0.400 90 L N 1.766 123.222 121.223 0.389 0.000 2.436 90 L HA 0.612 4.952 4.340 0.001 0.000 0.268 90 L C -1.618 175.377 176.870 0.209 0.000 0.974 90 L CA -0.428 54.518 54.840 0.176 0.000 0.826 90 L CB 1.782 43.846 42.059 0.009 0.000 1.291 90 L HN 0.797 nan 8.230 nan 0.000 0.406 91 D N 4.300 124.767 120.400 0.113 0.000 2.408 91 D HA 0.324 4.964 4.640 0.001 0.000 0.243 91 D C -1.200 175.223 176.300 0.206 0.000 1.075 91 D CA -0.260 53.854 54.000 0.189 0.000 0.832 91 D CB 2.402 43.338 40.800 0.226 0.000 1.162 91 D HN 0.258 nan 8.370 nan 0.000 0.515 92 V N 4.369 124.325 119.914 0.069 0.000 2.432 92 V HA 0.095 4.216 4.120 0.001 0.000 0.275 92 V C 1.046 177.070 176.094 -0.116 0.000 1.043 92 V CA -0.528 61.710 62.300 -0.102 0.000 0.925 92 V CB 1.108 32.687 31.823 -0.407 0.000 0.985 92 V HN 0.609 nan 8.190 nan 0.000 0.466 93 H N 5.045 123.892 119.070 -0.372 0.000 3.383 93 H HA 0.381 4.937 4.556 0.001 0.000 0.283 93 H C 0.051 175.124 175.328 -0.425 0.000 1.218 93 H CA -0.257 55.425 56.048 -0.609 0.000 1.223 93 H CB -0.164 29.109 29.762 -0.815 0.000 1.352 93 H HN 0.686 nan 8.280 nan 0.000 0.654 94 I N -2.192 118.304 120.570 -0.124 0.000 2.802 94 I HA 0.738 4.908 4.170 0.001 0.000 0.298 94 I C -0.351 175.795 176.117 0.048 0.000 1.176 94 I CA -0.741 60.510 61.300 -0.083 0.000 1.025 94 I CB 2.404 40.279 38.000 -0.210 0.000 1.243 94 I HN 0.079 nan 8.210 nan 0.000 0.424 95 G N 2.057 110.914 108.800 0.095 0.000 3.021 95 G HA2 0.389 4.350 3.960 0.001 0.000 0.290 95 G HA3 0.389 4.350 3.960 0.001 0.000 0.290 95 G C 0.350 175.349 174.900 0.166 0.000 1.291 95 G CA -0.039 45.164 45.100 0.172 0.000 0.834 95 G HN 0.958 nan 8.290 nan 0.000 0.564 96 S N -0.720 115.060 115.700 0.134 0.000 2.420 96 S HA -0.133 4.337 4.470 0.001 0.000 0.237 96 S C 2.207 176.850 174.600 0.071 0.000 1.023 96 S CA 1.321 59.565 58.200 0.073 0.000 0.991 96 S CB -0.247 62.976 63.200 0.039 0.000 0.792 96 S HN 0.274 nan 8.310 nan 0.000 0.488 97 L N 1.792 123.070 121.223 0.092 0.000 2.265 97 L HA 0.119 4.460 4.340 0.001 0.000 0.215 97 L C 2.090 179.055 176.870 0.158 0.000 1.117 97 L CA 1.162 56.053 54.840 0.086 0.000 0.782 97 L CB -1.059 41.020 42.059 0.033 0.000 0.914 97 L HN 0.340 nan 8.230 nan 0.000 0.441 98 S N -1.417 114.363 115.700 0.132 0.000 2.577 98 S HA 0.091 4.561 4.470 0.001 0.000 0.219 98 S C 0.230 174.942 174.600 0.186 0.000 0.962 98 S CA -0.539 57.715 58.200 0.089 0.000 0.921 98 S CB -0.172 62.889 63.200 -0.231 0.000 0.789 98 S HN 0.319 nan 8.310 nan 0.000 0.497 99 D N 4.004 124.490 120.400 0.143 0.000 2.423 99 D HA 0.136 4.776 4.640 0.001 0.000 0.238 99 D C -2.222 174.160 176.300 0.137 0.000 1.142 99 D CA -1.228 52.829 54.000 0.095 0.000 0.884 99 D CB 0.400 41.196 40.800 -0.008 0.000 1.199 99 D HN 0.133 nan 8.370 nan 0.000 0.438 100 P HA 0.094 nan 4.420 nan 0.000 0.271 100 P C -2.137 175.225 177.300 0.104 0.000 1.216 100 P CA -1.257 61.929 63.100 0.143 0.000 0.771 100 P CB 0.631 32.415 31.700 0.140 0.000 0.864 101 P HA -0.192 nan 4.420 nan 0.000 0.217 101 P C 0.919 178.285 177.300 0.111 0.000 1.148 101 P CA 1.790 64.957 63.100 0.112 0.000 0.834 101 P CB -0.377 31.388 31.700 0.109 0.000 0.783 102 N N -1.305 117.450 118.700 0.092 0.000 2.270 102 N HA 0.127 4.867 4.740 0.001 0.000 0.198 102 N C 0.131 175.674 175.510 0.056 0.000 1.117 102 N CA -0.034 53.064 53.050 0.081 0.000 0.845 102 N CB -0.045 38.480 38.487 0.063 0.000 0.980 102 N HN 0.101 nan 8.380 nan 0.000 0.486 103 I N 0.952 121.549 120.570 0.045 0.000 2.917 103 I HA 0.278 4.448 4.170 0.001 0.000 0.292 103 I C -0.324 175.774 176.117 -0.033 0.000 1.510 103 I CA -0.881 60.420 61.300 0.003 0.000 0.858 103 I CB 1.042 39.042 38.000 0.000 0.000 1.862 103 I HN 0.053 nan 8.210 nan 0.000 0.615 104 A N 2.097 124.898 122.820 -0.032 0.000 2.546 104 A HA 0.462 4.782 4.320 0.001 0.000 0.243 104 A C 1.443 178.879 177.584 -0.246 0.000 1.063 104 A CA 1.145 53.104 52.037 -0.131 0.000 0.757 104 A CB -0.113 18.803 19.000 -0.140 0.000 0.991 104 A HN 1.218 nan 8.150 nan 0.000 0.503 105 G N 1.094 109.724 108.800 -0.283 0.000 2.176 105 G HA2 -0.213 3.747 3.960 0.001 0.000 0.253 105 G HA3 -0.213 3.747 3.960 0.001 0.000 0.253 105 G C 0.770 175.600 174.900 -0.117 0.000 0.979 105 G CA 0.641 45.587 45.100 -0.256 0.000 0.641 105 G HN 1.443 nan 8.290 nan 0.000 0.530 106 L N 2.146 123.282 121.223 -0.146 0.000 2.012 106 L HA 0.004 4.344 4.340 0.001 0.000 0.210 106 L C 2.988 179.669 176.870 -0.315 0.000 1.073 106 L CA 3.477 58.214 54.840 -0.172 0.000 0.748 106 L CB -0.748 41.158 42.059 -0.255 0.000 0.891 106 L HN 0.834 nan 8.230 nan 0.000 0.431 107 S N -1.982 113.445 115.700 -0.455 0.000 2.383 107 S HA -0.292 4.178 4.470 0.001 0.000 0.227 107 S C 2.222 176.891 174.600 0.114 0.000 1.026 107 S CA 1.323 59.305 58.200 -0.362 0.000 0.981 107 S CB -0.953 62.187 63.200 -0.099 0.000 0.818 107 S HN 0.763 nan 8.310 nan 0.000 0.472 108 H N -1.025 118.071 119.070 0.044 0.000 2.395 108 H HA -0.042 4.514 4.556 0.001 0.000 0.299 108 H C 1.941 177.468 175.328 0.331 0.000 1.070 108 H CA 1.287 57.439 56.048 0.175 0.000 1.356 108 H CB -0.239 29.570 29.762 0.077 0.000 1.401 108 H HN 0.510 nan 8.280 nan 0.000 0.524 109 F N 1.377 121.285 119.950 -0.069 0.000 2.146 109 F HA -0.185 4.343 4.527 0.001 0.000 0.298 109 F C 2.784 178.635 175.800 0.085 0.000 1.096 109 F CA 1.009 58.950 58.000 -0.099 0.000 1.275 109 F CB -1.363 37.565 39.000 -0.121 0.000 1.008 109 F HN 0.303 nan 8.300 nan 0.000 0.480 110 C N 0.812 120.200 119.300 0.148 0.000 2.413 110 C HA -0.223 4.237 4.460 0.001 0.000 0.276 110 C C 2.897 178.064 174.990 0.294 0.000 1.248 110 C CA 1.775 60.920 59.018 0.211 0.000 1.742 110 C CB -1.425 26.470 27.740 0.257 0.000 2.017 110 C HN 0.650 nan 8.230 nan 0.000 0.481 111 Q N -0.724 119.309 119.800 0.389 0.000 2.096 111 Q HA -0.245 4.095 4.340 0.001 0.000 0.204 111 Q C 2.112 178.373 176.000 0.435 0.000 0.982 111 Q CA 1.902 57.993 55.803 0.481 0.000 0.850 111 Q CB -0.601 28.365 28.738 0.380 0.000 0.901 111 Q HN 0.802 nan 8.270 nan 0.000 0.422 112 H N -0.640 118.571 119.070 0.234 0.000 2.321 112 H HA -0.091 4.466 4.556 0.001 0.000 0.300 112 H C 2.182 177.610 175.328 0.166 0.000 1.087 112 H CA 1.523 57.710 56.048 0.231 0.000 1.319 112 H CB 0.142 29.999 29.762 0.157 0.000 1.379 112 H HN 0.322 nan 8.280 nan 0.000 0.501 113 M N 0.565 120.222 119.600 0.095 0.000 2.213 113 M HA -0.117 4.364 4.480 0.001 0.000 0.263 113 M C 2.406 178.447 176.300 -0.433 0.000 1.062 113 M CA 0.805 56.005 55.300 -0.166 0.000 1.105 113 M CB -0.888 31.586 32.600 -0.211 0.000 1.385 113 M HN 0.243 nan 8.290 nan 0.000 0.417 114 L N -1.345 119.589 121.223 -0.481 0.000 2.450 114 L HA -0.178 4.162 4.340 0.001 0.000 0.224 114 L C 1.703 177.659 176.870 -1.523 0.000 1.149 114 L CA 0.962 55.184 54.840 -1.030 0.000 0.816 114 L CB -0.687 40.803 42.059 -0.949 0.000 0.932 114 L HN 0.176 nan 8.230 nan 0.000 0.449 115 F N -0.764 118.734 119.950 -0.754 0.000 2.754 115 F HA 0.065 4.592 4.527 0.001 0.000 0.297 115 F C 1.705 177.297 175.800 -0.348 0.000 1.122 115 F CA 0.283 57.936 58.000 -0.579 0.000 1.400 115 F CB 0.069 39.014 39.000 -0.093 0.000 1.117 115 F HN -0.054 nan 8.300 nan 0.000 0.587 116 L N -0.015 121.086 121.223 -0.204 0.000 2.653 116 L HA 0.436 4.777 4.340 0.001 0.000 0.232 116 L C 0.495 177.263 176.870 -0.169 0.000 1.169 116 L CA -0.026 54.744 54.840 -0.116 0.000 0.951 116 L CB -0.921 41.090 42.059 -0.081 0.000 1.181 116 L HN 0.168 nan 8.230 nan 0.000 0.460 117 G N 0.204 108.847 108.800 -0.261 0.000 2.535 117 G HA2 0.113 4.074 3.960 0.001 0.000 0.662 117 G HA3 0.113 4.074 3.960 0.001 0.000 0.662 117 G C -0.588 174.147 174.900 -0.275 0.000 1.417 117 G CA -0.406 44.581 45.100 -0.187 0.000 0.866 117 G HN 0.068 nan 8.290 nan 0.000 0.647 118 T N -1.232 113.233 114.554 -0.148 0.000 2.901 118 T HA 0.669 5.019 4.350 0.001 0.000 0.293 118 T C 1.205 175.841 174.700 -0.106 0.000 1.084 118 T CA -0.304 61.699 62.100 -0.161 0.000 1.008 118 T CB 2.187 71.000 68.868 -0.092 0.000 1.170 118 T HN 0.577 nan 8.240 nan 0.000 0.509 119 K N 0.295 120.621 120.400 -0.125 0.000 2.074 119 K HA -0.144 4.176 4.320 0.001 0.000 0.209 119 K C 2.148 178.656 176.600 -0.152 0.000 1.048 119 K CA 1.607 57.824 56.287 -0.118 0.000 0.926 119 K CB -0.167 32.268 32.500 -0.109 0.000 0.713 119 K HN 0.619 nan 8.250 nan 0.000 0.444 120 K N -0.083 120.197 120.400 -0.200 0.000 2.148 120 K HA -0.110 4.210 4.320 0.001 0.000 0.204 120 K C -0.201 176.009 176.600 -0.650 0.000 1.050 120 K CA 1.106 57.140 56.287 -0.421 0.000 0.942 120 K CB 0.258 32.478 32.500 -0.466 0.000 0.724 120 K HN 0.107 nan 8.250 nan 0.000 0.446 121 Y N -0.538 119.723 120.300 -0.066 0.000 2.628 121 Y HA 0.251 4.801 4.550 0.001 0.000 0.354 121 Y C -2.190 173.683 175.900 -0.044 0.000 1.061 121 Y CA -2.200 55.874 58.100 -0.042 0.000 1.251 121 Y CB 1.681 40.125 38.460 -0.026 0.000 1.098 121 Y HN 0.050 nan 8.280 nan 0.000 0.626 122 P HA -0.211 nan 4.420 nan 0.000 0.215 122 P C 0.155 177.474 177.300 0.031 0.000 1.157 122 P CA 1.277 64.382 63.100 0.008 0.000 0.874 122 P CB 0.287 31.981 31.700 -0.010 0.000 0.790 123 K N 0.807 121.247 120.400 0.066 0.000 2.477 123 K HA -0.155 4.165 4.320 0.001 0.000 0.275 123 K C 1.581 178.224 176.600 0.071 0.000 1.054 123 K CA 0.432 56.762 56.287 0.072 0.000 1.135 123 K CB 0.093 32.651 32.500 0.098 0.000 0.854 123 K HN 0.303 nan 8.250 nan 0.000 0.484 124 E N 2.811 123.043 120.200 0.053 0.000 2.333 124 E HA -0.259 4.092 4.350 0.001 0.000 0.198 124 E C 0.347 177.011 176.600 0.106 0.000 1.007 124 E CA 1.787 58.217 56.400 0.051 0.000 0.845 124 E CB -0.232 29.491 29.700 0.038 0.000 0.766 124 E HN 0.786 nan 8.360 nan 0.000 0.507 125 N N -0.356 118.420 118.700 0.126 0.000 2.238 125 N HA 0.067 4.808 4.740 0.001 0.000 0.235 125 N C 1.196 176.808 175.510 0.170 0.000 1.209 125 N CA -0.230 52.921 53.050 0.168 0.000 0.879 125 N CB 0.450 39.028 38.487 0.153 0.000 1.136 125 N HN 0.032 nan 8.380 nan 0.000 0.517 126 E N 0.674 120.971 120.200 0.161 0.000 2.085 126 E HA -0.278 4.072 4.350 0.001 0.000 0.194 126 E C 1.286 177.982 176.600 0.160 0.000 0.994 126 E CA 1.385 57.872 56.400 0.146 0.000 0.801 126 E CB -0.096 29.689 29.700 0.142 0.000 0.743 126 E HN 0.595 nan 8.360 nan 0.000 0.453 127 Y N 0.774 121.121 120.300 0.079 0.000 2.109 127 Y HA -0.263 4.287 4.550 0.001 0.000 0.285 127 Y C 2.650 178.646 175.900 0.160 0.000 1.131 127 Y CA 2.175 60.337 58.100 0.102 0.000 1.121 127 Y CB -0.412 38.217 38.460 0.282 0.000 0.987 127 Y HN 0.164 nan 8.280 nan 0.000 0.495 128 S N -0.173 115.619 115.700 0.153 0.000 2.382 128 S HA -0.299 4.171 4.470 0.001 0.000 0.228 128 S C 1.999 176.590 174.600 -0.015 0.000 1.027 128 S CA 1.472 59.669 58.200 -0.005 0.000 0.991 128 S CB -0.748 62.502 63.200 0.084 0.000 0.823 128 S HN 0.723 nan 8.310 nan 0.000 0.469 129 Q N -0.084 119.752 119.800 0.060 0.000 2.079 129 Q HA -0.094 4.247 4.340 0.001 0.000 0.200 129 Q C 1.919 177.933 176.000 0.024 0.000 0.974 129 Q CA 1.446 57.279 55.803 0.049 0.000 0.840 129 Q CB -0.289 28.499 28.738 0.084 0.000 0.898 129 Q HN 0.643 nan 8.270 nan 0.000 0.430 130 F N 0.812 120.715 119.950 -0.079 0.000 2.095 130 F HA -0.228 4.299 4.527 0.001 0.000 0.298 130 F C 1.701 177.484 175.800 -0.028 0.000 1.104 130 F CA 1.456 59.421 58.000 -0.058 0.000 1.232 130 F CB -0.173 38.724 39.000 -0.171 0.000 0.987 130 F HN 0.054 nan 8.300 nan 0.000 0.475 131 L N -0.839 120.342 121.223 -0.069 0.000 2.046 131 L HA -0.237 4.103 4.340 0.001 0.000 0.208 131 L C 2.768 179.545 176.870 -0.155 0.000 1.077 131 L CA 1.541 56.291 54.840 -0.150 0.000 0.747 131 L CB -1.102 40.832 42.059 -0.209 0.000 0.896 131 L HN 0.220 nan 8.230 nan 0.000 0.432 132 S N -0.007 115.614 115.700 -0.132 0.000 2.359 132 S HA -0.218 4.253 4.470 0.001 0.000 0.224 132 S C 1.719 176.206 174.600 -0.189 0.000 1.035 132 S CA 1.557 59.693 58.200 -0.107 0.000 1.018 132 S CB -0.179 62.994 63.200 -0.045 0.000 0.876 132 S HN 0.477 nan 8.310 nan 0.000 0.448 133 E N -0.761 119.237 120.200 -0.338 0.000 2.478 133 E HA -0.063 4.287 4.350 0.001 0.000 0.198 133 E C 0.089 176.115 176.600 -0.957 0.000 1.046 133 E CA 0.607 56.605 56.400 -0.669 0.000 0.870 133 E CB -0.035 29.207 29.700 -0.764 0.000 0.818 133 E HN 0.693 nan 8.360 nan 0.000 0.527 134 H N -0.644 118.125 119.070 -0.501 0.000 2.562 134 H HA 0.421 4.978 4.556 0.001 0.000 0.249 134 H C -0.012 175.166 175.328 -0.250 0.000 1.195 134 H CA 0.206 55.955 56.048 -0.498 0.000 0.938 134 H CB 0.959 30.228 29.762 -0.821 0.000 1.891 134 H HN 0.136 nan 8.280 nan 0.000 0.595 135 A N 0.171 122.917 122.820 -0.123 0.000 2.799 135 A HA -0.151 4.169 4.320 0.001 0.000 0.287 135 A C 1.107 178.696 177.584 0.007 0.000 1.484 135 A CA 0.904 52.917 52.037 -0.041 0.000 0.813 135 A CB -1.737 17.257 19.000 -0.010 0.000 1.009 135 A HN 0.655 nan 8.150 nan 0.000 0.545 136 G N -1.596 107.200 108.800 -0.006 0.000 2.597 136 G HA2 0.907 4.868 3.960 0.001 0.000 0.317 136 G HA3 0.907 4.868 3.960 0.001 0.000 0.317 136 G C -0.196 174.728 174.900 0.039 0.000 1.230 136 G CA 0.310 45.441 45.100 0.051 0.000 0.996 136 G HN 1.968 nan 8.290 nan 0.000 0.490 137 S N -1.912 113.848 115.700 0.099 0.000 2.570 137 S HA 0.810 5.280 4.470 0.001 0.000 0.270 137 S C -0.883 173.825 174.600 0.180 0.000 1.149 137 S CA -0.518 57.735 58.200 0.089 0.000 0.837 137 S CB 1.832 65.091 63.200 0.097 0.000 1.124 137 S HN 1.289 nan 8.310 nan 0.000 0.465 138 S N 0.912 116.705 115.700 0.155 0.000 2.570 138 S HA 0.816 5.287 4.470 0.001 0.000 0.270 138 S C -1.723 172.951 174.600 0.124 0.000 1.149 138 S CA -0.512 57.852 58.200 0.272 0.000 0.837 138 S CB 1.607 65.094 63.200 0.479 0.000 1.124 138 S HN 0.920 nan 8.310 nan 0.000 0.465 139 N N 0.063 118.753 118.700 -0.017 0.000 3.227 139 N HA 0.779 5.519 4.740 0.001 0.000 0.241 139 N C -1.960 173.274 175.510 -0.460 0.000 1.480 139 N CA 0.159 53.098 53.050 -0.186 0.000 0.886 139 N CB 1.670 40.162 38.487 0.009 0.000 1.406 139 N HN 1.047 nan 8.380 nan 0.000 0.514 140 A N 0.158 122.890 122.820 -0.146 0.000 2.608 140 A HA 0.715 5.036 4.320 0.001 0.000 0.292 140 A C -1.890 175.813 177.584 0.197 0.000 1.066 140 A CA -0.636 51.357 52.037 -0.073 0.000 0.676 140 A CB 0.715 19.729 19.000 0.023 0.000 1.277 140 A HN 0.599 nan 8.150 nan 0.000 0.413 141 F N -1.194 118.833 119.950 0.129 0.000 2.613 141 F HA 0.894 5.421 4.527 0.001 0.000 0.314 141 F C -0.466 175.423 175.800 0.149 0.000 1.075 141 F CA -0.736 57.368 58.000 0.173 0.000 0.945 141 F CB 1.805 40.930 39.000 0.208 0.000 1.310 141 F HN 0.378 nan 8.300 nan 0.000 0.467 142 T N 1.722 116.509 114.554 0.388 0.000 2.809 142 T HA 0.588 4.938 4.350 0.001 0.000 0.284 142 T C -0.452 174.442 174.700 0.323 0.000 0.992 142 T CA -0.625 61.647 62.100 0.287 0.000 0.957 142 T CB 1.319 70.365 68.868 0.297 0.000 0.942 142 T HN 0.930 nan 8.240 nan 0.000 0.439 143 S N 1.906 117.807 115.700 0.336 0.000 2.753 143 S HA 0.731 5.201 4.470 0.001 0.000 0.302 143 S C 1.707 176.446 174.600 0.231 0.000 1.104 143 S CA -0.244 58.135 58.200 0.298 0.000 0.968 143 S CB 0.771 64.193 63.200 0.369 0.000 1.278 143 S HN 0.662 nan 8.310 nan 0.000 0.549 144 G N -0.304 108.627 108.800 0.218 0.000 2.408 144 G HA2 0.017 3.977 3.960 0.001 0.000 0.217 144 G HA3 0.017 3.977 3.960 0.001 0.000 0.217 144 G C 0.797 175.790 174.900 0.156 0.000 1.150 144 G CA 0.487 45.690 45.100 0.170 0.000 0.776 144 G HN 0.789 nan 8.290 nan 0.000 0.542 145 E N -0.761 119.541 120.200 0.171 0.000 2.630 145 E HA 0.181 4.532 4.350 0.001 0.000 0.218 145 E C -0.455 176.009 176.600 -0.227 0.000 0.977 145 E CA -0.224 56.210 56.400 0.057 0.000 1.038 145 E CB 0.650 30.417 29.700 0.111 0.000 1.051 145 E HN 0.404 nan 8.360 nan 0.000 0.487 146 H N -0.306 118.841 119.070 0.128 0.000 2.961 146 H HA 0.346 4.903 4.556 0.001 0.000 0.371 146 H C -0.817 174.531 175.328 0.034 0.000 1.190 146 H CA -0.511 55.561 56.048 0.041 0.000 1.138 146 H CB 2.409 32.188 29.762 0.028 0.000 1.816 146 H HN -0.154 nan 8.280 nan 0.000 0.551 147 T N 2.495 117.106 114.554 0.095 0.000 2.906 147 T HA 0.148 4.498 4.350 0.001 0.000 0.302 147 T C -0.170 174.452 174.700 -0.130 0.000 1.002 147 T CA -0.818 61.276 62.100 -0.009 0.000 0.988 147 T CB 0.835 69.834 68.868 0.219 0.000 0.972 147 T HN 0.419 nan 8.240 nan 0.000 0.447 148 N N 2.960 121.345 118.700 -0.524 0.000 2.417 148 N HA 0.348 5.089 4.740 0.001 0.000 0.274 148 N C -1.564 173.807 175.510 -0.231 0.000 0.987 148 N CA -0.341 52.486 53.050 -0.372 0.000 0.912 148 N CB 1.029 39.035 38.487 -0.801 0.000 1.177 148 N HN 0.452 nan 8.380 nan 0.000 0.490 149 Y N 3.050 123.549 120.300 0.332 0.000 2.377 149 Y HA 0.441 4.992 4.550 0.001 0.000 0.339 149 Y C -0.312 175.944 175.900 0.593 0.000 1.011 149 Y CA -0.716 57.669 58.100 0.474 0.000 1.093 149 Y CB 1.214 40.078 38.460 0.673 0.000 1.201 149 Y HN 0.385 nan 8.280 nan 0.000 0.455 150 Y N 0.877 121.541 120.300 0.607 0.000 2.624 150 Y HA 0.802 5.353 4.550 0.001 0.000 0.334 150 Y C -1.577 174.519 175.900 0.327 0.000 1.155 150 Y CA -2.505 55.756 58.100 0.268 0.000 1.046 150 Y CB 1.479 40.038 38.460 0.165 0.000 1.316 150 Y HN 0.492 nan 8.280 nan 0.000 0.457 151 F N -0.386 119.693 119.950 0.215 0.000 2.741 151 F HA 0.820 5.347 4.527 0.001 0.000 0.311 151 F C -2.092 173.772 175.800 0.106 0.000 1.149 151 F CA -0.993 57.105 58.000 0.164 0.000 0.930 151 F CB 1.706 40.760 39.000 0.089 0.000 1.312 151 F HN 0.651 nan 8.300 nan 0.000 0.450 152 D N 0.703 121.278 120.400 0.293 0.000 2.552 152 D HA 0.778 5.418 4.640 0.001 0.000 0.239 152 D C -1.575 174.935 176.300 0.350 0.000 1.139 152 D CA -0.964 53.141 54.000 0.176 0.000 0.914 152 D CB 2.019 42.879 40.800 0.100 0.000 1.461 152 D HN 1.061 nan 8.370 nan 0.000 0.462 153 V N -0.889 119.184 119.914 0.264 0.000 3.279 153 V HA 0.440 4.560 4.120 0.001 0.000 0.281 153 V C -0.956 175.247 176.094 0.183 0.000 1.601 153 V CA -0.488 61.945 62.300 0.221 0.000 1.044 153 V CB 1.757 33.746 31.823 0.278 0.000 1.205 153 V HN 0.919 nan 8.190 nan 0.000 0.464 154 S N 1.594 117.385 115.700 0.151 0.000 2.593 154 S HA -0.005 4.465 4.470 0.001 0.000 0.300 154 S C 1.280 175.950 174.600 0.116 0.000 1.267 154 S CA 1.125 59.410 58.200 0.142 0.000 1.065 154 S CB 0.042 63.335 63.200 0.155 0.000 0.807 154 S HN 1.507 nan 8.310 nan 0.000 0.499 155 H N 2.458 121.586 119.070 0.096 0.000 2.518 155 H HA -0.010 4.547 4.556 0.001 0.000 0.292 155 H C 1.330 176.675 175.328 0.029 0.000 1.068 155 H CA 1.869 57.955 56.048 0.064 0.000 1.275 155 H CB -0.120 29.663 29.762 0.035 0.000 1.375 155 H HN 0.791 nan 8.280 nan 0.000 0.563 156 E N 0.189 120.046 120.200 -0.571 0.000 2.435 156 E HA -0.054 4.297 4.350 0.001 0.000 0.195 156 E C 0.411 176.672 176.600 -0.565 0.000 1.029 156 E CA 0.356 56.422 56.400 -0.558 0.000 0.865 156 E CB 0.220 29.538 29.700 -0.635 0.000 0.833 156 E HN 0.809 nan 8.360 nan 0.000 0.510 157 H N 0.072 119.105 119.070 -0.062 0.000 2.492 157 H HA 0.155 4.711 4.556 0.001 0.000 0.264 157 H C 1.479 176.862 175.328 0.090 0.000 1.150 157 H CA -0.148 55.896 56.048 -0.006 0.000 0.962 157 H CB 0.584 30.261 29.762 -0.143 0.000 1.766 157 H HN 0.132 nan 8.280 nan 0.000 0.589 158 L N 0.663 121.977 121.223 0.152 0.000 1.989 158 L HA -0.216 4.125 4.340 0.001 0.000 0.211 158 L C 2.528 179.502 176.870 0.173 0.000 1.071 158 L CA 1.844 56.807 54.840 0.205 0.000 0.749 158 L CB 0.014 42.168 42.059 0.157 0.000 0.890 158 L HN 0.336 nan 8.230 nan 0.000 0.431 159 E N -0.552 119.710 120.200 0.104 0.000 2.038 159 E HA -0.223 4.128 4.350 0.001 0.000 0.195 159 E C 1.988 178.588 176.600 -0.000 0.000 1.000 159 E CA 1.504 57.944 56.400 0.066 0.000 0.803 159 E CB -0.376 29.349 29.700 0.041 0.000 0.750 159 E HN 0.563 nan 8.360 nan 0.000 0.448 160 G N 0.289 109.080 108.800 -0.016 0.000 2.442 160 G HA2 -0.273 3.687 3.960 0.001 0.000 0.219 160 G HA3 -0.273 3.687 3.960 0.001 0.000 0.219 160 G C 1.631 176.183 174.900 -0.580 0.000 1.141 160 G CA 1.003 45.957 45.100 -0.244 0.000 0.763 160 G HN 0.449 nan 8.290 nan 0.000 0.554 161 A N 0.199 122.856 122.820 -0.271 0.000 1.872 161 A HA 0.185 4.506 4.320 0.001 0.000 0.214 161 A C 2.312 179.658 177.584 -0.396 0.000 1.187 161 A CA 1.426 53.216 52.037 -0.411 0.000 0.614 161 A CB -0.435 18.414 19.000 -0.252 0.000 0.826 161 A HN 0.362 nan 8.150 nan 0.000 0.442 162 L N 0.341 121.533 121.223 -0.052 0.000 2.131 162 L HA -0.147 4.194 4.340 0.001 0.000 0.210 162 L C 1.910 178.829 176.870 0.082 0.000 1.092 162 L CA 2.505 57.467 54.840 0.203 0.000 0.759 162 L CB -0.586 41.679 42.059 0.343 0.000 0.903 162 L HN 0.505 nan 8.230 nan 0.000 0.435 163 D N -0.612 119.754 120.400 -0.057 0.000 2.084 163 D HA -0.203 4.438 4.640 0.001 0.000 0.194 163 D C 2.293 178.528 176.300 -0.108 0.000 0.990 163 D CA 1.490 55.444 54.000 -0.077 0.000 0.826 163 D CB 0.021 40.787 40.800 -0.056 0.000 0.971 163 D HN 0.239 nan 8.370 nan 0.000 0.453 164 R N -0.990 119.334 120.500 -0.293 0.000 2.105 164 R HA -0.109 4.231 4.340 0.001 0.000 0.239 164 R C 2.393 178.492 176.300 -0.335 0.000 1.135 164 R CA 1.169 57.026 56.100 -0.405 0.000 0.967 164 R CB -0.536 29.375 30.300 -0.648 0.000 0.861 164 R HN 0.294 nan 8.270 nan 0.000 0.442 165 F N 1.125 120.759 119.950 -0.526 0.000 2.113 165 F HA -0.134 4.393 4.527 0.001 0.000 0.297 165 F C 2.333 177.799 175.800 -0.556 0.000 1.103 165 F CA 1.360 58.864 58.000 -0.828 0.000 1.248 165 F CB -0.199 38.639 39.000 -0.270 0.000 0.999 165 F HN -0.006 nan 8.300 nan 0.000 0.475 166 A N -0.062 122.645 122.820 -0.188 0.000 1.978 166 A HA -0.227 4.093 4.320 0.001 0.000 0.220 166 A C 1.991 179.440 177.584 -0.224 0.000 1.170 166 A CA 1.552 53.414 52.037 -0.292 0.000 0.636 166 A CB -0.680 17.890 19.000 -0.717 0.000 0.810 166 A HN 0.510 nan 8.150 nan 0.000 0.448 167 Q N -0.965 118.710 119.800 -0.208 0.000 2.291 167 Q HA -0.118 4.223 4.340 0.001 0.000 0.206 167 Q C 1.565 177.471 176.000 -0.157 0.000 0.976 167 Q CA 0.848 56.586 55.803 -0.108 0.000 0.875 167 Q CB -0.624 28.128 28.738 0.023 0.000 0.927 167 Q HN 0.703 nan 8.270 nan 0.000 0.450 168 F N -0.308 119.189 119.950 -0.755 0.000 2.202 168 F HA -0.134 4.394 4.527 0.001 0.000 0.301 168 F C 1.379 176.581 175.800 -0.996 0.000 1.082 168 F CA 0.506 57.819 58.000 -1.146 0.000 1.313 168 F CB -0.550 37.297 39.000 -1.923 0.000 1.024 168 F HN 0.032 nan 8.300 nan 0.000 0.495 169 F N -1.629 118.322 119.950 0.002 0.000 2.639 169 F HA 0.267 4.795 4.527 0.001 0.000 0.302 169 F C 1.439 177.317 175.800 0.130 0.000 1.097 169 F CA 0.093 58.182 58.000 0.149 0.000 1.294 169 F CB -0.459 38.600 39.000 0.097 0.000 1.027 169 F HN -0.159 nan 8.300 nan 0.000 0.550 170 L N -1.149 120.138 121.223 0.107 0.000 2.641 170 L HA 0.172 4.513 4.340 0.001 0.000 0.207 170 L C 0.538 177.407 176.870 -0.001 0.000 1.049 170 L CA 0.220 55.098 54.840 0.064 0.000 0.866 170 L CB 0.755 42.812 42.059 -0.004 0.000 1.264 170 L HN 0.240 nan 8.230 nan 0.000 0.483 171 C N -1.592 117.654 119.300 -0.090 0.000 3.471 171 C HA 0.482 4.942 4.460 0.001 0.000 0.191 171 C C -2.712 172.135 174.990 -0.239 0.000 1.480 171 C CA -2.059 56.879 59.018 -0.133 0.000 1.281 171 C CB -0.872 26.806 27.740 -0.103 0.000 1.898 171 C HN -0.056 nan 8.230 nan 0.000 0.533 172 P HA 0.184 nan 4.420 nan 0.000 0.269 172 P C 0.895 177.924 177.300 -0.452 0.000 1.209 172 P CA 0.129 62.852 63.100 -0.628 0.000 0.776 172 P CB 0.834 31.888 31.700 -1.076 0.000 0.876 173 L N 2.083 123.033 121.223 -0.455 0.000 2.168 173 L HA 0.122 4.462 4.340 0.001 0.000 0.203 173 L C 0.633 177.430 176.870 -0.123 0.000 1.078 173 L CA 0.468 55.165 54.840 -0.238 0.000 0.780 173 L CB -0.459 41.485 42.059 -0.192 0.000 0.939 173 L HN 0.377 nan 8.230 nan 0.000 0.451 174 F N 0.826 120.633 119.950 -0.238 0.000 3.027 174 F HA -0.260 4.267 4.527 0.001 0.000 0.276 174 F C 0.584 176.288 175.800 -0.161 0.000 0.967 174 F CA 0.122 57.985 58.000 -0.229 0.000 0.929 174 F CB -1.799 37.059 39.000 -0.236 0.000 0.873 174 F HN 0.244 nan 8.300 nan 0.000 0.787 175 D N 0.803 121.185 120.400 -0.030 0.000 2.533 175 D HA 0.002 4.642 4.640 0.001 0.000 0.236 175 D C 1.278 177.581 176.300 0.005 0.000 1.137 175 D CA 0.626 54.615 54.000 -0.018 0.000 0.867 175 D CB 0.883 41.660 40.800 -0.038 0.000 1.170 175 D HN 0.395 nan 8.370 nan 0.000 0.474 176 E N 2.284 122.490 120.200 0.010 0.000 2.070 176 E HA -0.247 4.103 4.350 0.001 0.000 0.197 176 E C 1.736 178.350 176.600 0.024 0.000 1.004 176 E CA 1.821 58.232 56.400 0.017 0.000 0.805 176 E CB -0.348 29.359 29.700 0.011 0.000 0.744 176 E HN 0.411 nan 8.360 nan 0.000 0.451 177 S N -1.274 114.436 115.700 0.017 0.000 2.368 177 S HA -0.172 4.299 4.470 0.001 0.000 0.225 177 S C 2.159 176.777 174.600 0.030 0.000 1.030 177 S CA 1.392 59.605 58.200 0.021 0.000 0.999 177 S CB -0.740 62.468 63.200 0.014 0.000 0.844 177 S HN 0.572 nan 8.310 nan 0.000 0.459 178 C N 1.614 120.927 119.300 0.021 0.000 2.429 178 C HA 0.006 4.467 4.460 0.001 0.000 0.277 178 C C 2.704 177.729 174.990 0.058 0.000 1.262 178 C CA 1.189 60.223 59.018 0.027 0.000 1.733 178 C CB -1.172 26.565 27.740 -0.006 0.000 2.010 178 C HN 0.738 nan 8.230 nan 0.000 0.483 179 K N 0.928 121.360 120.400 0.054 0.000 2.032 179 K HA -0.208 4.113 4.320 0.001 0.000 0.209 179 K C 1.389 178.118 176.600 0.215 0.000 1.048 179 K CA 2.077 58.434 56.287 0.118 0.000 0.927 179 K CB -0.307 32.236 32.500 0.072 0.000 0.712 179 K HN 0.396 nan 8.250 nan 0.000 0.441 180 D N 0.086 120.559 120.400 0.121 0.000 2.264 180 D HA -0.091 4.550 4.640 0.001 0.000 0.208 180 D C 1.975 178.321 176.300 0.077 0.000 0.966 180 D CA 0.867 54.922 54.000 0.092 0.000 0.864 180 D CB 0.099 40.931 40.800 0.053 0.000 0.933 180 D HN 0.300 nan 8.370 nan 0.000 0.499 181 R N 0.137 120.685 120.500 0.079 0.000 2.064 181 R HA -0.009 4.332 4.340 0.001 0.000 0.221 181 R C 2.030 178.376 176.300 0.076 0.000 1.136 181 R CA 0.498 56.633 56.100 0.058 0.000 0.980 181 R CB -0.079 30.247 30.300 0.043 0.000 0.876 181 R HN -0.060 nan 8.270 nan 0.000 0.437 182 E N 0.956 121.234 120.200 0.131 0.000 2.267 182 E HA -0.135 4.215 4.350 0.001 0.000 0.197 182 E C 1.661 178.356 176.600 0.157 0.000 0.998 182 E CA 0.527 57.033 56.400 0.177 0.000 0.830 182 E CB -0.146 29.705 29.700 0.252 0.000 0.751 182 E HN 0.085 nan 8.360 nan 0.000 0.491 183 V N 0.386 120.376 119.914 0.127 0.000 2.594 183 V HA -0.285 3.836 4.120 0.001 0.000 0.253 183 V C 1.217 177.216 176.094 -0.158 0.000 1.069 183 V CA 2.336 64.519 62.300 -0.195 0.000 1.082 183 V CB -0.450 31.249 31.823 -0.206 0.000 0.680 183 V HN 0.352 nan 8.190 nan 0.000 0.469 184 N N 0.507 119.176 118.700 -0.051 0.000 2.244 184 N HA -0.030 4.710 4.740 0.001 0.000 0.183 184 N C 1.872 177.371 175.510 -0.019 0.000 1.016 184 N CA 1.319 54.349 53.050 -0.034 0.000 0.866 184 N CB -0.396 38.087 38.487 -0.007 0.000 0.980 184 N HN 0.564 nan 8.380 nan 0.000 0.430 185 A N 0.354 123.174 122.820 0.002 0.000 1.930 185 A HA -0.059 4.262 4.320 0.001 0.000 0.217 185 A C 2.273 179.867 177.584 0.016 0.000 1.175 185 A CA 1.045 53.130 52.037 0.080 0.000 0.627 185 A CB -0.647 18.444 19.000 0.152 0.000 0.815 185 A HN 0.105 nan 8.150 nan 0.000 0.443 186 V N 0.311 120.106 119.914 -0.199 0.000 2.358 186 V HA -0.237 3.883 4.120 0.001 0.000 0.246 186 V C 2.302 178.305 176.094 -0.151 0.000 1.047 186 V CA 2.410 64.530 62.300 -0.299 0.000 1.035 186 V CB -0.770 30.758 31.823 -0.492 0.000 0.658 186 V HN 0.706 nan 8.190 nan 0.000 0.452 187 D N -0.288 120.040 120.400 -0.120 0.000 2.117 187 D HA -0.199 4.441 4.640 0.001 0.000 0.197 187 D C 2.378 178.674 176.300 -0.006 0.000 0.987 187 D CA 1.625 55.605 54.000 -0.033 0.000 0.829 187 D CB -0.126 40.656 40.800 -0.030 0.000 0.961 187 D HN 0.328 nan 8.370 nan 0.000 0.460 188 S N -0.651 115.041 115.700 -0.013 0.000 2.382 188 S HA -0.214 4.256 4.470 0.001 0.000 0.228 188 S C 1.895 176.450 174.600 -0.074 0.000 1.027 188 S CA 1.560 59.760 58.200 -0.000 0.000 0.991 188 S CB -0.447 62.794 63.200 0.069 0.000 0.823 188 S HN 0.399 nan 8.310 nan 0.000 0.469 189 E N -0.594 119.497 120.200 -0.181 0.000 2.077 189 E HA -0.259 4.091 4.350 0.001 0.000 0.193 189 E C 1.980 178.376 176.600 -0.341 0.000 0.989 189 E CA 1.468 57.556 56.400 -0.519 0.000 0.800 189 E CB -0.331 28.957 29.700 -0.687 0.000 0.746 189 E HN 0.787 nan 8.360 nan 0.000 0.452 190 H N 0.338 119.244 119.070 -0.273 0.000 2.389 190 H HA -0.073 4.483 4.556 0.001 0.000 0.299 190 H C 1.916 177.127 175.328 -0.195 0.000 1.081 190 H CA 1.901 57.809 56.048 -0.233 0.000 1.345 190 H CB -0.031 29.677 29.762 -0.091 0.000 1.393 190 H HN 0.112 nan 8.280 nan 0.000 0.520 191 E N 1.067 121.103 120.200 -0.272 0.000 2.097 191 E HA -0.208 4.142 4.350 0.001 0.000 0.196 191 E C 2.089 178.571 176.600 -0.197 0.000 1.000 191 E CA 2.068 58.316 56.400 -0.253 0.000 0.804 191 E CB -0.218 29.425 29.700 -0.095 0.000 0.740 191 E HN 0.770 nan 8.360 nan 0.000 0.454 192 K N -0.597 119.707 120.400 -0.161 0.000 2.362 192 K HA -0.028 4.292 4.320 0.001 0.000 0.200 192 K C 1.307 177.848 176.600 -0.097 0.000 1.046 192 K CA 1.346 57.581 56.287 -0.087 0.000 0.952 192 K CB -0.013 32.436 32.500 -0.085 0.000 0.753 192 K HN -0.007 nan 8.250 nan 0.000 0.466 193 N N 0.877 119.420 118.700 -0.263 0.000 2.415 193 N HA -0.024 4.716 4.740 0.001 0.000 0.176 193 N C 1.703 177.232 175.510 0.031 0.000 1.042 193 N CA 0.575 53.470 53.050 -0.258 0.000 0.902 193 N CB 0.027 38.078 38.487 -0.727 0.000 0.986 193 N HN -0.012 nan 8.380 nan 0.000 0.447 194 V N 1.381 121.199 119.914 -0.161 0.000 2.317 194 V HA -0.203 3.917 4.120 0.001 0.000 0.251 194 V C 1.751 177.927 176.094 0.138 0.000 1.065 194 V CA 1.401 63.658 62.300 -0.072 0.000 1.049 194 V CB -0.287 31.374 31.823 -0.270 0.000 0.651 194 V HN 0.325 nan 8.190 nan 0.000 0.450 195 M N -0.253 119.374 119.600 0.046 0.000 2.493 195 M HA 0.218 4.698 4.480 0.001 0.000 0.244 195 M C 0.516 176.857 176.300 0.069 0.000 1.182 195 M CA 0.075 55.357 55.300 -0.030 0.000 0.981 195 M CB -1.149 31.222 32.600 -0.382 0.000 1.551 195 M HN 0.396 nan 8.290 nan 0.000 0.476 196 N N 1.121 119.930 118.700 0.182 0.000 2.414 196 N HA 0.066 4.807 4.740 0.001 0.000 0.256 196 N C 0.557 176.179 175.510 0.186 0.000 1.029 196 N CA -0.172 53.012 53.050 0.222 0.000 0.948 196 N CB 1.332 40.022 38.487 0.338 0.000 1.102 196 N HN 0.012 nan 8.380 nan 0.000 0.496 197 D N 2.903 123.373 120.400 0.117 0.000 2.158 197 D HA -0.207 4.434 4.640 0.001 0.000 0.197 197 D C 1.645 177.961 176.300 0.027 0.000 0.995 197 D CA 1.185 55.225 54.000 0.066 0.000 0.846 197 D CB -0.114 40.723 40.800 0.063 0.000 0.941 197 D HN 0.705 nan 8.370 nan 0.000 0.456 198 A N 0.512 123.354 122.820 0.035 0.000 1.858 198 A HA -0.177 4.143 4.320 0.001 0.000 0.216 198 A C 2.114 179.603 177.584 -0.158 0.000 1.190 198 A CA 1.295 53.279 52.037 -0.089 0.000 0.617 198 A CB -1.234 17.680 19.000 -0.144 0.000 0.827 198 A HN 0.268 nan 8.150 nan 0.000 0.443 199 W N -0.238 121.003 121.300 -0.097 0.000 2.388 199 W HA -0.057 4.604 4.660 0.001 0.000 0.294 199 W C 2.600 178.847 176.519 -0.452 0.000 1.212 199 W CA 1.390 58.646 57.345 -0.148 0.000 1.271 199 W CB -0.229 29.233 29.460 0.004 0.000 1.126 199 W HN 0.251 nan 8.180 nan 0.000 0.535 200 R N -0.542 119.806 120.500 -0.252 0.000 2.083 200 R HA -0.177 4.163 4.340 0.001 0.000 0.237 200 R C 2.001 178.117 176.300 -0.306 0.000 1.137 200 R CA 1.299 57.140 56.100 -0.430 0.000 0.951 200 R CB -1.005 29.222 30.300 -0.121 0.000 0.851 200 R HN 0.107 nan 8.270 nan 0.000 0.434 201 L N -0.156 120.939 121.223 -0.213 0.000 2.093 201 L HA -0.113 4.228 4.340 0.001 0.000 0.208 201 L C 2.061 178.775 176.870 -0.261 0.000 1.085 201 L CA 1.412 56.094 54.840 -0.264 0.000 0.755 201 L CB -0.945 40.925 42.059 -0.316 0.000 0.904 201 L HN 0.096 nan 8.230 nan 0.000 0.435 202 F N 0.412 120.145 119.950 -0.361 0.000 2.069 202 F HA -0.330 4.197 4.527 0.001 0.000 0.298 202 F C 2.688 178.318 175.800 -0.283 0.000 1.113 202 F CA 1.945 59.744 58.000 -0.336 0.000 1.214 202 F CB -0.029 38.741 39.000 -0.383 0.000 0.978 202 F HN 0.123 nan 8.300 nan 0.000 0.474 203 Q N 0.402 120.047 119.800 -0.259 0.000 2.172 203 Q HA -0.113 4.227 4.340 0.001 0.000 0.200 203 Q C 1.938 177.776 176.000 -0.270 0.000 0.964 203 Q CA 1.426 57.072 55.803 -0.261 0.000 0.855 203 Q CB -0.508 28.255 28.738 0.041 0.000 0.918 203 Q HN 0.558 nan 8.270 nan 0.000 0.444 204 L N 0.587 121.628 121.223 -0.303 0.000 2.046 204 L HA -0.116 4.225 4.340 0.001 0.000 0.208 204 L C 2.069 178.710 176.870 -0.383 0.000 1.077 204 L CA 2.123 56.748 54.840 -0.358 0.000 0.747 204 L CB -0.624 41.174 42.059 -0.434 0.000 0.896 204 L HN 0.370 nan 8.230 nan 0.000 0.432 205 E N -0.469 119.508 120.200 -0.372 0.000 2.077 205 E HA -0.272 4.079 4.350 0.001 0.000 0.193 205 E C 2.109 178.651 176.600 -0.097 0.000 0.989 205 E CA 1.411 57.657 56.400 -0.256 0.000 0.800 205 E CB -0.014 29.561 29.700 -0.209 0.000 0.746 205 E HN 0.529 nan 8.360 nan 0.000 0.452 206 K N -0.119 120.067 120.400 -0.356 0.000 2.097 206 K HA -0.104 4.216 4.320 0.001 0.000 0.206 206 K C 2.016 178.532 176.600 -0.139 0.000 1.049 206 K CA 1.072 57.072 56.287 -0.478 0.000 0.933 206 K CB -0.077 31.942 32.500 -0.803 0.000 0.717 206 K HN 0.105 nan 8.250 nan 0.000 0.442 207 A N 1.080 123.831 122.820 -0.115 0.000 2.168 207 A HA -0.068 4.252 4.320 0.001 0.000 0.215 207 A C 1.853 179.456 177.584 0.031 0.000 1.152 207 A CA 1.462 53.492 52.037 -0.013 0.000 0.716 207 A CB -0.471 18.518 19.000 -0.018 0.000 0.794 207 A HN 0.417 nan 8.150 nan 0.000 0.465 208 T N -3.753 110.796 114.554 -0.007 0.000 3.105 208 T HA 0.449 4.800 4.350 0.001 0.000 0.253 208 T C 0.861 175.661 174.700 0.167 0.000 1.047 208 T CA 0.334 62.467 62.100 0.055 0.000 0.944 208 T CB 0.335 69.051 68.868 -0.254 0.000 1.016 208 T HN 0.325 nan 8.240 nan 0.000 0.544 209 G N 1.201 110.121 108.800 0.200 0.000 2.671 209 G HA2 0.417 4.378 3.960 0.001 0.000 0.275 209 G HA3 0.417 4.378 3.960 0.001 0.000 0.275 209 G C -0.578 174.229 174.900 -0.154 0.000 1.368 209 G CA -0.981 44.158 45.100 0.065 0.000 1.044 209 G HN 0.249 nan 8.290 nan 0.000 0.543 210 N N 0.581 119.108 118.700 -0.289 0.000 2.414 210 N HA 0.091 4.832 4.740 0.001 0.000 0.268 210 N C -1.480 174.114 175.510 0.140 0.000 1.286 210 N CA -1.373 51.705 53.050 0.046 0.000 0.896 210 N CB 1.400 39.962 38.487 0.125 0.000 1.093 210 N HN -0.073 nan 8.380 nan 0.000 0.480 211 P HA -0.068 nan 4.420 nan 0.000 0.222 211 P C 0.405 177.797 177.300 0.153 0.000 1.147 211 P CA 1.304 64.497 63.100 0.155 0.000 0.790 211 P CB 0.299 32.088 31.700 0.149 0.000 0.780 212 K N -2.425 118.070 120.400 0.159 0.000 2.400 212 K HA -0.010 4.310 4.320 0.001 0.000 0.194 212 K C 0.859 177.545 176.600 0.144 0.000 1.033 212 K CA 0.065 56.435 56.287 0.138 0.000 1.021 212 K CB -0.097 32.476 32.500 0.122 0.000 0.808 212 K HN 0.276 nan 8.250 nan 0.000 0.505 213 H N 2.357 121.472 119.070 0.074 0.000 2.610 213 H HA 0.065 4.621 4.556 0.001 0.000 0.336 213 H C -1.845 173.525 175.328 0.070 0.000 1.087 213 H CA -1.970 54.112 56.048 0.056 0.000 1.405 213 H CB 1.518 31.263 29.762 -0.029 0.000 1.460 213 H HN -0.113 nan 8.280 nan 0.000 0.538 214 P HA -0.178 nan 4.420 nan 0.000 0.226 214 P C 1.438 178.857 177.300 0.198 0.000 1.146 214 P CA 0.813 64.009 63.100 0.161 0.000 0.773 214 P CB -0.275 31.501 31.700 0.127 0.000 0.772 215 F N 2.166 122.231 119.950 0.192 0.000 2.365 215 F HA -0.147 4.381 4.527 0.001 0.000 0.300 215 F C 2.055 177.813 175.800 -0.071 0.000 1.090 215 F CA 1.423 59.391 58.000 -0.055 0.000 1.408 215 F CB -0.172 38.586 39.000 -0.403 0.000 1.060 215 F HN -0.032 nan 8.300 nan 0.000 0.534 216 S N -0.668 115.029 115.700 -0.005 0.000 2.562 216 S HA 0.036 4.507 4.470 0.001 0.000 0.221 216 S C 0.707 175.306 174.600 -0.002 0.000 0.975 216 S CA -0.338 57.830 58.200 -0.053 0.000 0.918 216 S CB -0.560 62.690 63.200 0.083 0.000 0.772 216 S HN 0.251 nan 8.310 nan 0.000 0.531 217 K N 1.150 121.553 120.400 0.005 0.000 2.319 217 K HA 0.185 4.505 4.320 0.001 0.000 0.265 217 K C -0.682 175.931 176.600 0.021 0.000 1.000 217 K CA -0.355 55.961 56.287 0.049 0.000 0.943 217 K CB 0.227 32.747 32.500 0.034 0.000 0.950 217 K HN 0.289 nan 8.250 nan 0.000 0.485 218 F N 1.581 121.395 119.950 -0.226 0.000 2.371 218 F HA 0.316 4.844 4.527 0.001 0.000 0.363 218 F C 0.850 176.474 175.800 -0.293 0.000 1.122 218 F CA -1.034 56.704 58.000 -0.436 0.000 1.129 218 F CB 0.665 38.900 39.000 -1.276 0.000 1.173 218 F HN 0.607 nan 8.300 nan 0.000 0.489 219 G N 3.061 111.624 108.800 -0.396 0.000 2.603 219 G HA2 -0.102 3.859 3.960 0.001 0.000 0.214 219 G HA3 -0.102 3.859 3.960 0.001 0.000 0.214 219 G C 1.227 175.793 174.900 -0.557 0.000 1.140 219 G CA 0.795 45.675 45.100 -0.367 0.000 0.800 219 G HN 0.654 nan 8.290 nan 0.000 0.533 220 T N 0.585 114.593 114.554 -0.910 0.000 2.737 220 T HA 0.327 4.678 4.350 0.001 0.000 0.265 220 T C 1.471 175.752 174.700 -0.699 0.000 1.038 220 T CA 1.196 62.873 62.100 -0.704 0.000 1.144 220 T CB -0.504 68.060 68.868 -0.506 0.000 0.866 220 T HN 1.123 nan 8.240 nan 0.000 0.434 221 G N 2.450 110.407 108.800 -1.404 0.000 2.814 221 G HA2 0.016 3.976 3.960 0.001 0.000 0.677 221 G HA3 0.016 3.976 3.960 0.001 0.000 0.677 221 G C -0.665 174.019 174.900 -0.360 0.000 1.429 221 G CA -0.372 44.301 45.100 -0.711 0.000 0.868 221 G HN 0.912 nan 8.290 nan 0.000 0.553 222 N N -1.792 116.803 118.700 -0.175 0.000 3.277 222 N HA 0.454 5.195 4.740 0.001 0.000 0.278 222 N C 0.787 176.246 175.510 -0.084 0.000 1.544 222 N CA -0.102 52.900 53.050 -0.080 0.000 0.869 222 N CB 0.698 39.221 38.487 0.060 0.000 1.584 222 N HN 0.773 nan 8.380 nan 0.000 0.564 223 K N -1.240 119.141 120.400 -0.032 0.000 2.152 223 K HA -0.186 4.134 4.320 0.001 0.000 0.206 223 K C 1.344 177.955 176.600 0.019 0.000 1.048 223 K CA 1.256 57.518 56.287 -0.042 0.000 0.933 223 K CB -0.375 32.123 32.500 -0.004 0.000 0.721 223 K HN 0.503 nan 8.250 nan 0.000 0.447 224 Y N 1.344 121.644 120.300 -0.000 0.000 2.133 224 Y HA -0.226 4.324 4.550 0.001 0.000 0.287 224 Y C 2.480 178.406 175.900 0.043 0.000 1.134 224 Y CA 2.418 60.541 58.100 0.038 0.000 1.133 224 Y CB -0.779 37.739 38.460 0.096 0.000 0.987 224 Y HN 0.254 nan 8.280 nan 0.000 0.502 225 T N -1.753 112.829 114.554 0.046 0.000 2.995 225 T HA -0.075 4.275 4.350 0.001 0.000 0.269 225 T C 1.561 176.177 174.700 -0.141 0.000 1.091 225 T CA 1.510 63.580 62.100 -0.050 0.000 1.128 225 T CB -0.560 68.352 68.868 0.073 0.000 0.891 225 T HN 0.389 nan 8.240 nan 0.000 0.492 226 L N -0.722 120.393 121.223 -0.180 0.000 2.616 226 L HA 0.482 4.822 4.340 0.001 0.000 0.229 226 L C 2.329 179.099 176.870 -0.166 0.000 1.110 226 L CA 0.377 55.081 54.840 -0.227 0.000 0.884 226 L CB 0.138 41.901 42.059 -0.493 0.000 1.115 226 L HN 0.337 nan 8.230 nan 0.000 0.481 227 E N -1.032 119.078 120.200 -0.150 0.000 3.701 227 E HA -0.029 4.321 4.350 0.001 0.000 0.206 227 E C 1.619 178.155 176.600 -0.106 0.000 1.229 227 E CA 0.674 57.015 56.400 -0.098 0.000 1.573 227 E CB 0.202 29.857 29.700 -0.075 0.000 1.449 227 E HN 0.063 nan 8.360 nan 0.000 0.618 228 T N 1.640 116.123 114.554 -0.119 0.000 2.580 228 T HA -0.216 4.134 4.350 0.001 0.000 0.265 228 T C 1.878 176.449 174.700 -0.216 0.000 1.063 228 T CA 1.955 63.984 62.100 -0.117 0.000 1.170 228 T CB -0.363 68.492 68.868 -0.022 0.000 0.863 228 T HN -0.005 nan 8.240 nan 0.000 0.418 229 R N 1.828 122.037 120.500 -0.485 0.000 2.073 229 R HA -0.027 4.313 4.340 0.001 0.000 0.234 229 R C -0.880 175.299 176.300 -0.203 0.000 1.134 229 R CA 1.446 57.277 56.100 -0.448 0.000 0.952 229 R CB -1.507 28.353 30.300 -0.733 0.000 0.850 229 R HN 0.321 nan 8.270 nan 0.000 0.433 230 P HA -0.071 nan 4.420 nan 0.000 0.215 230 P C 0.324 177.590 177.300 -0.058 0.000 1.153 230 P CA 1.740 64.789 63.100 -0.086 0.000 0.853 230 P CB -0.169 31.489 31.700 -0.069 0.000 0.788 231 N N -0.880 117.783 118.700 -0.060 0.000 2.120 231 N HA -0.217 4.523 4.740 0.001 0.000 0.188 231 N C 1.951 177.444 175.510 -0.029 0.000 1.024 231 N CA 0.665 53.694 53.050 -0.035 0.000 0.852 231 N CB -0.298 38.171 38.487 -0.030 0.000 1.003 231 N HN 0.256 nan 8.380 nan 0.000 0.424 232 Q N 1.309 121.086 119.800 -0.039 0.000 2.119 232 Q HA -0.138 4.202 4.340 0.001 0.000 0.201 232 Q C 0.881 176.872 176.000 -0.015 0.000 0.972 232 Q CA 1.244 57.035 55.803 -0.021 0.000 0.847 232 Q CB 0.173 28.899 28.738 -0.019 0.000 0.903 232 Q HN 0.419 nan 8.270 nan 0.000 0.433 233 E N -0.891 119.295 120.200 -0.023 0.000 2.489 233 E HA 0.090 4.441 4.350 0.001 0.000 0.193 233 E C 0.458 177.054 176.600 -0.007 0.000 1.057 233 E CA 0.275 56.668 56.400 -0.011 0.000 0.866 233 E CB 0.349 30.043 29.700 -0.011 0.000 0.916 233 E HN 0.595 nan 8.360 nan 0.000 0.500 234 G N 1.976 110.770 108.800 -0.010 0.000 2.198 234 G HA2 -0.288 3.673 3.960 0.001 0.000 0.257 234 G HA3 -0.288 3.673 3.960 0.001 0.000 0.257 234 G C 0.094 174.990 174.900 -0.006 0.000 1.042 234 G CA 0.006 45.102 45.100 -0.006 0.000 0.791 234 G HN 0.236 nan 8.290 nan 0.000 0.502 235 I N 0.303 120.867 120.570 -0.010 0.000 2.385 235 I HA 0.277 4.447 4.170 0.001 0.000 0.294 235 I C -0.232 175.880 176.117 -0.008 0.000 0.988 235 I CA -0.708 60.587 61.300 -0.007 0.000 1.265 235 I CB 1.496 39.491 38.000 -0.008 0.000 1.388 235 I HN 0.018 nan 8.210 nan 0.000 0.480 236 D N 5.862 126.257 120.400 -0.007 0.000 2.456 236 D HA 0.141 4.782 4.640 0.001 0.000 0.219 236 D C 0.893 177.186 176.300 -0.012 0.000 1.126 236 D CA -0.267 53.727 54.000 -0.009 0.000 0.890 236 D CB 1.530 42.322 40.800 -0.014 0.000 1.025 236 D HN 0.243 nan 8.370 nan 0.000 0.511 237 V N 5.098 125.014 119.914 0.004 0.000 2.469 237 V HA -0.201 3.919 4.120 0.001 0.000 0.251 237 V C 2.674 178.749 176.094 -0.032 0.000 1.064 237 V CA 1.167 63.478 62.300 0.020 0.000 1.066 237 V CB -0.424 31.455 31.823 0.093 0.000 0.667 237 V HN 0.532 nan 8.190 nan 0.000 0.461 238 R N 0.047 120.522 120.500 -0.041 0.000 2.080 238 R HA -0.181 4.160 4.340 0.001 0.000 0.236 238 R C 2.407 178.609 176.300 -0.163 0.000 1.137 238 R CA 2.000 58.040 56.100 -0.099 0.000 0.943 238 R CB -0.449 29.823 30.300 -0.047 0.000 0.846 238 R HN 0.633 nan 8.270 nan 0.000 0.431 239 Q N -0.109 119.632 119.800 -0.100 0.000 2.084 239 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 239 Q C 1.934 177.868 176.000 -0.110 0.000 0.978 239 Q CA 1.246 56.991 55.803 -0.097 0.000 0.844 239 Q CB -0.048 28.660 28.738 -0.051 0.000 0.898 239 Q HN 0.277 nan 8.270 nan 0.000 0.426 240 E N 0.801 120.955 120.200 -0.078 0.000 2.118 240 E HA -0.170 4.180 4.350 0.001 0.000 0.195 240 E C 2.107 178.660 176.600 -0.078 0.000 0.992 240 E CA 0.898 57.276 56.400 -0.037 0.000 0.804 240 E CB -0.224 29.473 29.700 -0.006 0.000 0.741 240 E HN 0.388 nan 8.360 nan 0.000 0.458 241 L N 0.226 121.300 121.223 -0.248 0.000 2.017 241 L HA -0.176 4.165 4.340 0.001 0.000 0.208 241 L C 2.639 179.114 176.870 -0.657 0.000 1.073 241 L CA 0.856 55.395 54.840 -0.502 0.000 0.745 241 L CB -0.432 41.104 42.059 -0.872 0.000 0.894 241 L HN 0.094 nan 8.230 nan 0.000 0.432 242 L N -0.310 120.508 121.223 -0.675 0.000 2.046 242 L HA -0.247 4.093 4.340 0.001 0.000 0.208 242 L C 2.703 179.497 176.870 -0.126 0.000 1.077 242 L CA 1.374 55.955 54.840 -0.432 0.000 0.747 242 L CB -0.445 41.458 42.059 -0.259 0.000 0.896 242 L HN 0.226 nan 8.230 nan 0.000 0.432 243 K N -0.248 120.106 120.400 -0.076 0.000 2.057 243 K HA -0.242 4.078 4.320 0.001 0.000 0.207 243 K C 2.190 178.825 176.600 0.059 0.000 1.049 243 K CA 1.651 57.935 56.287 -0.004 0.000 0.931 243 K CB -0.191 32.314 32.500 0.009 0.000 0.714 243 K HN 0.103 nan 8.250 nan 0.000 0.440 244 F N 1.271 121.217 119.950 -0.006 0.000 2.102 244 F HA -0.256 4.271 4.527 0.001 0.000 0.298 244 F C 2.522 178.440 175.800 0.195 0.000 1.105 244 F CA 1.929 60.014 58.000 0.141 0.000 1.239 244 F CB -0.440 38.644 39.000 0.140 0.000 0.991 244 F HN 0.229 nan 8.300 nan 0.000 0.474 245 H N -0.699 118.436 119.070 0.107 0.000 2.353 245 H HA -0.154 4.402 4.556 0.001 0.000 0.300 245 H C 2.420 177.759 175.328 0.017 0.000 1.090 245 H CA 1.736 57.764 56.048 -0.033 0.000 1.327 245 H CB -0.502 29.227 29.762 -0.055 0.000 1.383 245 H HN 0.420 nan 8.280 nan 0.000 0.508 246 S N -0.134 115.664 115.700 0.163 0.000 2.368 246 S HA -0.081 4.390 4.470 0.001 0.000 0.225 246 S C 2.390 176.958 174.600 -0.054 0.000 1.030 246 S CA 1.299 59.551 58.200 0.088 0.000 0.999 246 S CB -0.456 62.770 63.200 0.044 0.000 0.844 246 S HN 0.576 nan 8.310 nan 0.000 0.459 247 A N -0.820 121.893 122.820 -0.179 0.000 1.970 247 A HA 0.178 4.499 4.320 0.001 0.000 0.216 247 A C 1.714 178.984 177.584 -0.523 0.000 1.170 247 A CA 0.998 52.798 52.037 -0.395 0.000 0.645 247 A CB -0.573 18.078 19.000 -0.581 0.000 0.816 247 A HN 0.738 nan 8.150 nan 0.000 0.447 248 Y N -3.493 116.674 120.300 -0.221 0.000 2.535 248 Y HA 0.185 4.735 4.550 0.001 0.000 0.266 248 Y C 0.421 176.262 175.900 -0.097 0.000 1.088 248 Y CA -0.296 57.671 58.100 -0.222 0.000 1.285 248 Y CB 0.227 38.408 38.460 -0.465 0.000 1.166 248 Y HN 0.272 nan 8.280 nan 0.000 0.525 249 Y N 1.464 121.667 120.300 -0.161 0.000 2.734 249 Y HA 0.118 4.668 4.550 0.001 0.000 0.353 249 Y C 0.682 176.522 175.900 -0.100 0.000 1.244 249 Y CA -0.522 57.477 58.100 -0.168 0.000 1.950 249 Y CB 0.019 38.179 38.460 -0.500 0.000 2.028 249 Y HN -0.126 nan 8.280 nan 0.000 0.421 250 S N 0.066 115.770 115.700 0.006 0.000 2.525 250 S HA 0.121 4.592 4.470 0.001 0.000 0.290 250 S C 1.302 175.898 174.600 -0.006 0.000 1.152 250 S CA -0.284 57.918 58.200 0.003 0.000 1.072 250 S CB 1.004 64.192 63.200 -0.019 0.000 1.027 250 S HN 0.649 nan 8.310 nan 0.000 0.500 251 S N 3.707 119.414 115.700 0.012 0.000 2.419 251 S HA -0.197 4.273 4.470 0.001 0.000 0.235 251 S C 1.637 176.236 174.600 -0.003 0.000 1.019 251 S CA 1.473 59.678 58.200 0.009 0.000 0.982 251 S CB -0.778 62.440 63.200 0.030 0.000 0.789 251 S HN 0.905 nan 8.310 nan 0.000 0.490 252 N N 1.882 120.578 118.700 -0.005 0.000 2.512 252 N HA -0.049 4.692 4.740 0.001 0.000 0.183 252 N C 1.109 176.622 175.510 0.005 0.000 1.073 252 N CA 0.696 53.741 53.050 -0.007 0.000 0.911 252 N CB -0.390 38.086 38.487 -0.019 0.000 0.964 252 N HN 0.522 nan 8.380 nan 0.000 0.447 253 L N -0.110 121.116 121.223 0.005 0.000 2.965 253 L HA 0.414 4.755 4.340 0.001 0.000 0.254 253 L C 0.085 177.024 176.870 0.114 0.000 1.220 253 L CA -0.156 54.700 54.840 0.026 0.000 1.023 253 L CB 0.062 42.092 42.059 -0.048 0.000 1.355 253 L HN 0.000 nan 8.230 nan 0.000 0.545 254 M N 0.240 119.898 119.600 0.097 0.000 2.528 254 M HA 0.701 5.182 4.480 0.001 0.000 0.321 254 M C -0.480 175.804 176.300 -0.027 0.000 1.153 254 M CA -0.283 55.049 55.300 0.054 0.000 0.951 254 M CB 2.688 35.227 32.600 -0.101 0.000 1.705 254 M HN 0.016 nan 8.290 nan 0.000 0.451 255 A N 2.164 124.910 122.820 -0.124 0.000 2.422 255 A HA 0.885 5.205 4.320 0.001 0.000 0.302 255 A C -1.310 176.140 177.584 -0.223 0.000 1.041 255 A CA -0.657 51.203 52.037 -0.295 0.000 0.708 255 A CB 1.482 20.090 19.000 -0.653 0.000 1.257 255 A HN 0.597 nan 8.150 nan 0.000 0.414 256 V N 0.365 120.131 119.914 -0.247 0.000 2.876 256 V HA 0.678 4.798 4.120 0.001 0.000 0.312 256 V C -0.668 175.304 176.094 -0.203 0.000 1.085 256 V CA -0.586 61.556 62.300 -0.263 0.000 0.945 256 V CB 1.858 33.383 31.823 -0.496 0.000 1.017 256 V HN 1.208 nan 8.190 nan 0.000 0.428 257 C N 4.241 123.442 119.300 -0.165 0.000 2.481 257 C HA 0.846 5.306 4.460 0.001 0.000 0.324 257 C C -0.926 173.983 174.990 -0.134 0.000 1.170 257 C CA -0.135 58.801 59.018 -0.138 0.000 1.361 257 C CB 0.568 28.226 27.740 -0.136 0.000 1.977 257 C HN 0.727 nan 8.230 nan 0.000 0.459 258 V N 6.798 126.648 119.914 -0.106 0.000 2.604 258 V HA 0.621 4.742 4.120 0.001 0.000 0.305 258 V C -0.458 175.597 176.094 -0.065 0.000 1.043 258 V CA -0.539 61.710 62.300 -0.085 0.000 0.888 258 V CB 1.764 33.568 31.823 -0.032 0.000 0.995 258 V HN 0.868 nan 8.190 nan 0.000 0.429 259 L N 3.798 124.984 121.223 -0.062 0.000 2.385 259 L HA 1.003 5.343 4.340 0.001 0.000 0.273 259 L C -0.034 176.828 176.870 -0.012 0.000 0.990 259 L CA 0.210 55.027 54.840 -0.038 0.000 0.821 259 L CB 1.783 43.836 42.059 -0.009 0.000 1.279 259 L HN 0.845 nan 8.230 nan 0.000 0.412 260 G N 3.186 111.982 108.800 -0.007 0.000 2.550 260 G HA2 0.272 4.232 3.960 0.001 0.000 0.293 260 G HA3 0.272 4.232 3.960 0.001 0.000 0.293 260 G C -0.340 174.566 174.900 0.010 0.000 1.402 260 G CA -0.654 44.463 45.100 0.028 0.000 0.784 260 G HN 0.593 nan 8.290 nan 0.000 0.482 261 R N -0.257 120.265 120.500 0.037 0.000 2.153 261 R HA 0.074 4.414 4.340 0.001 0.000 0.218 261 R C 0.336 176.640 176.300 0.007 0.000 1.072 261 R CA 0.466 56.568 56.100 0.004 0.000 0.990 261 R CB -0.048 30.256 30.300 0.006 0.000 0.889 261 R HN 0.558 nan 8.270 nan 0.000 0.452 262 E N 1.072 121.289 120.200 0.027 0.000 2.458 262 E HA -0.062 4.288 4.350 0.001 0.000 0.264 262 E C 0.214 176.814 176.600 -0.001 0.000 1.097 262 E CA 0.206 56.617 56.400 0.018 0.000 0.973 262 E CB 0.396 30.112 29.700 0.027 0.000 0.963 262 E HN 0.138 nan 8.360 nan 0.000 0.451 263 S N 0.873 116.571 115.700 -0.002 0.000 2.608 263 S HA 0.098 4.569 4.470 0.001 0.000 0.261 263 S C 1.169 175.763 174.600 -0.011 0.000 1.314 263 S CA -0.613 57.581 58.200 -0.011 0.000 0.992 263 S CB 0.407 63.603 63.200 -0.006 0.000 0.935 263 S HN 0.502 nan 8.310 nan 0.000 0.564 264 L N 0.313 121.525 121.223 -0.018 0.000 2.083 264 L HA -0.113 4.227 4.340 0.001 0.000 0.209 264 L C 2.179 179.047 176.870 -0.004 0.000 1.083 264 L CA 1.432 56.263 54.840 -0.016 0.000 0.752 264 L CB -0.640 41.408 42.059 -0.019 0.000 0.899 264 L HN 0.665 nan 8.230 nan 0.000 0.433 265 D N -0.088 120.311 120.400 -0.002 0.000 2.117 265 D HA -0.172 4.468 4.640 0.001 0.000 0.197 265 D C 1.793 178.099 176.300 0.011 0.000 0.987 265 D CA 1.210 55.212 54.000 0.003 0.000 0.829 265 D CB -0.151 40.650 40.800 0.002 0.000 0.961 265 D HN 0.264 nan 8.370 nan 0.000 0.460 266 D N 0.086 120.493 120.400 0.011 0.000 2.117 266 D HA -0.050 4.591 4.640 0.001 0.000 0.198 266 D C 2.304 178.621 176.300 0.027 0.000 0.982 266 D CA 0.296 54.307 54.000 0.019 0.000 0.828 266 D CB -0.246 40.564 40.800 0.017 0.000 0.967 266 D HN 0.200 nan 8.370 nan 0.000 0.464 267 L N 0.471 121.707 121.223 0.022 0.000 2.093 267 L HA -0.137 4.203 4.340 0.001 0.000 0.208 267 L C 2.342 179.234 176.870 0.038 0.000 1.085 267 L CA 1.059 55.917 54.840 0.031 0.000 0.755 267 L CB -0.566 41.501 42.059 0.013 0.000 0.904 267 L HN 0.048 nan 8.230 nan 0.000 0.435 268 T N -0.564 114.005 114.554 0.026 0.000 2.708 268 T HA -0.135 4.215 4.350 0.001 0.000 0.266 268 T C 1.703 176.430 174.700 0.044 0.000 1.037 268 T CA 1.347 63.464 62.100 0.029 0.000 1.146 268 T CB -0.223 68.656 68.868 0.017 0.000 0.865 268 T HN 0.312 nan 8.240 nan 0.000 0.435 269 N N 1.142 119.866 118.700 0.040 0.000 2.244 269 N HA 0.050 4.791 4.740 0.001 0.000 0.183 269 N C 1.862 177.409 175.510 0.061 0.000 1.016 269 N CA 0.525 53.601 53.050 0.044 0.000 0.866 269 N CB -0.423 38.083 38.487 0.032 0.000 0.980 269 N HN 0.313 nan 8.380 nan 0.000 0.430 270 L N 0.719 121.984 121.223 0.071 0.000 2.027 270 L HA -0.119 4.222 4.340 0.001 0.000 0.206 270 L C 2.006 178.966 176.870 0.151 0.000 1.074 270 L CA 1.019 55.916 54.840 0.095 0.000 0.745 270 L CB -0.203 41.914 42.059 0.097 0.000 0.898 270 L HN -0.081 nan 8.230 nan 0.000 0.433 271 V N -0.747 119.269 119.914 0.170 0.000 2.295 271 V HA -0.270 3.851 4.120 0.001 0.000 0.246 271 V C 2.466 178.725 176.094 0.276 0.000 1.049 271 V CA 1.574 64.037 62.300 0.272 0.000 1.024 271 V CB -0.206 31.695 31.823 0.130 0.000 0.648 271 V HN 0.262 nan 8.190 nan 0.000 0.447 272 V N 0.055 120.060 119.914 0.152 0.000 2.332 272 V HA -0.326 3.795 4.120 0.001 0.000 0.248 272 V C 2.457 178.616 176.094 0.108 0.000 1.055 272 V CA 2.514 64.886 62.300 0.119 0.000 1.038 272 V CB -0.650 31.215 31.823 0.070 0.000 0.651 272 V HN 0.590 nan 8.190 nan 0.000 0.450 273 K N -0.375 120.078 120.400 0.088 0.000 2.147 273 K HA -0.115 4.205 4.320 0.001 0.000 0.205 273 K C 1.906 178.519 176.600 0.022 0.000 1.049 273 K CA 1.472 57.789 56.287 0.050 0.000 0.936 273 K CB -0.059 32.464 32.500 0.039 0.000 0.722 273 K HN 0.441 nan 8.250 nan 0.000 0.446 274 L N -0.857 120.384 121.223 0.030 0.000 2.463 274 L HA 0.100 4.440 4.340 0.001 0.000 0.219 274 L C 1.176 177.819 176.870 -0.379 0.000 1.088 274 L CA 0.162 54.901 54.840 -0.167 0.000 0.849 274 L CB 0.152 42.075 42.059 -0.226 0.000 1.012 274 L HN 0.091 nan 8.230 nan 0.000 0.468 275 F N -1.144 118.839 119.950 0.056 0.000 2.752 275 F HA 0.037 4.564 4.527 0.001 0.000 0.310 275 F C 2.578 178.396 175.800 0.030 0.000 1.097 275 F CA 0.440 58.469 58.000 0.048 0.000 1.238 275 F CB -0.047 38.977 39.000 0.039 0.000 1.061 275 F HN -0.042 nan 8.300 nan 0.000 0.591 276 S N 0.636 116.440 115.700 0.172 0.000 2.440 276 S HA -0.244 4.227 4.470 0.001 0.000 0.238 276 S C 1.536 176.179 174.600 0.071 0.000 1.010 276 S CA 1.451 59.714 58.200 0.105 0.000 0.972 276 S CB -0.838 62.406 63.200 0.073 0.000 0.774 276 S HN 0.696 nan 8.310 nan 0.000 0.501 277 E N 0.970 121.201 120.200 0.053 0.000 2.481 277 E HA 0.126 4.476 4.350 0.001 0.000 0.195 277 E C -0.123 176.505 176.600 0.046 0.000 1.047 277 E CA -0.043 56.376 56.400 0.031 0.000 0.867 277 E CB -0.255 29.446 29.700 0.002 0.000 0.858 277 E HN 0.349 nan 8.360 nan 0.000 0.513 278 V N 2.574 122.536 119.914 0.080 0.000 2.585 278 V HA -0.039 4.082 4.120 0.001 0.000 0.296 278 V C 0.449 176.588 176.094 0.075 0.000 1.035 278 V CA 0.087 62.448 62.300 0.102 0.000 1.084 278 V CB 0.777 32.692 31.823 0.153 0.000 0.953 278 V HN 0.312 nan 8.190 nan 0.000 0.483 279 E N 4.234 124.475 120.200 0.069 0.000 2.373 279 E HA 0.091 4.441 4.350 0.001 0.000 0.267 279 E C -0.122 176.499 176.600 0.035 0.000 1.032 279 E CA -0.515 55.913 56.400 0.046 0.000 0.889 279 E CB 0.591 30.316 29.700 0.041 0.000 0.984 279 E HN 0.691 nan 8.360 nan 0.000 0.425 280 N N 3.197 121.909 118.700 0.019 0.000 2.444 280 N HA 0.148 4.888 4.740 0.001 0.000 0.262 280 N C -0.794 174.712 175.510 -0.008 0.000 0.974 280 N CA -0.399 52.654 53.050 0.006 0.000 0.933 280 N CB 1.205 39.694 38.487 0.003 0.000 1.137 280 N HN 0.340 nan 8.380 nan 0.000 0.498 281 K N 1.641 122.029 120.400 -0.019 0.000 2.358 281 K HA 0.304 4.624 4.320 0.001 0.000 0.197 281 K C -0.407 176.166 176.600 -0.044 0.000 1.025 281 K CA -0.165 56.100 56.287 -0.037 0.000 1.104 281 K CB -0.059 32.406 32.500 -0.058 0.000 0.855 281 K HN 0.542 nan 8.250 nan 0.000 0.531 282 N N 0.788 119.466 118.700 -0.035 0.000 2.705 282 N HA -0.169 4.571 4.740 0.001 0.000 0.255 282 N C -0.919 174.561 175.510 -0.050 0.000 1.008 282 N CA 0.578 53.605 53.050 -0.038 0.000 0.742 282 N CB -1.385 37.082 38.487 -0.034 0.000 0.906 282 N HN -0.066 nan 8.380 nan 0.000 0.541 283 V N 0.833 120.715 119.914 -0.054 0.000 2.555 283 V HA 0.193 4.313 4.120 0.001 0.000 0.286 283 V C -1.552 174.508 176.094 -0.058 0.000 1.044 283 V CA -0.944 61.320 62.300 -0.059 0.000 1.026 283 V CB 0.948 32.743 31.823 -0.047 0.000 0.981 283 V HN 0.094 nan 8.190 nan 0.000 0.480 284 P HA 0.188 nan 4.420 nan 0.000 0.276 284 P C -0.283 176.952 177.300 -0.108 0.000 1.230 284 P CA -0.391 62.661 63.100 -0.080 0.000 0.776 284 P CB 0.516 32.172 31.700 -0.073 0.000 0.888 285 L N 5.856 126.980 121.223 -0.164 0.000 2.418 285 L HA 0.186 4.527 4.340 0.001 0.000 0.274 285 L C -1.850 174.856 176.870 -0.274 0.000 1.135 285 L CA -1.670 53.012 54.840 -0.262 0.000 0.870 285 L CB 0.375 42.234 42.059 -0.334 0.000 1.154 285 L HN 0.285 nan 8.230 nan 0.000 0.462 286 P HA 0.026 nan 4.420 nan 0.000 0.262 286 P C -0.975 175.986 177.300 -0.566 0.000 1.182 286 P CA 0.253 63.118 63.100 -0.392 0.000 0.761 286 P CB 0.477 32.014 31.700 -0.271 0.000 0.795 287 E N 2.156 121.926 120.200 -0.718 0.000 2.288 287 E HA 0.431 4.781 4.350 0.001 0.000 0.268 287 E C -1.375 174.726 176.600 -0.831 0.000 0.885 287 E CA -0.648 55.408 56.400 -0.575 0.000 0.767 287 E CB 0.835 30.370 29.700 -0.275 0.000 1.220 287 E HN 0.216 nan 8.360 nan 0.000 0.427 288 F N 4.563 124.566 119.950 0.089 0.000 2.584 288 F HA 0.281 4.808 4.527 0.001 0.000 0.328 288 F C -1.755 174.178 175.800 0.222 0.000 1.407 288 F CA -1.485 56.625 58.000 0.182 0.000 1.145 288 F CB 1.312 40.574 39.000 0.436 0.000 1.440 288 F HN 0.377 nan 8.300 nan 0.000 0.580 289 P HA -0.203 nan 4.420 nan 0.000 0.216 289 P C 0.358 177.769 177.300 0.184 0.000 1.150 289 P CA 1.139 64.335 63.100 0.160 0.000 0.837 289 P CB 0.436 32.182 31.700 0.076 0.000 0.786 290 E N 0.499 120.809 120.200 0.183 0.000 2.223 290 E HA 0.003 4.353 4.350 0.001 0.000 0.282 290 E C 0.047 176.739 176.600 0.154 0.000 1.046 290 E CA -0.577 55.926 56.400 0.172 0.000 0.857 290 E CB 0.097 29.889 29.700 0.153 0.000 1.055 290 E HN 0.136 nan 8.360 nan 0.000 0.409 291 H N 5.600 124.654 119.070 -0.027 0.000 2.886 291 H HA 0.044 4.600 4.556 0.001 0.000 0.329 291 H C -1.848 173.190 175.328 -0.484 0.000 1.044 291 H CA -1.742 54.115 56.048 -0.318 0.000 1.456 291 H CB 1.395 31.049 29.762 -0.180 0.000 1.464 291 H HN 0.512 nan 8.280 nan 0.000 0.573 292 P HA -0.142 nan 4.420 nan 0.000 0.218 292 P C -0.423 176.673 177.300 -0.341 0.000 1.146 292 P CA 1.209 63.667 63.100 -1.069 0.000 0.813 292 P CB 0.055 30.666 31.700 -1.815 0.000 0.778 293 F N -0.018 119.985 119.950 0.089 0.000 2.361 293 F HA 0.351 4.879 4.527 0.001 0.000 0.364 293 F C 1.035 176.939 175.800 0.173 0.000 1.117 293 F CA -1.116 56.934 58.000 0.083 0.000 1.071 293 F CB 0.226 39.303 39.000 0.129 0.000 1.188 293 F HN -0.170 nan 8.300 nan 0.000 0.464 294 Q N 0.976 121.139 119.800 0.604 0.000 2.364 294 Q HA 0.175 4.515 4.340 0.001 0.000 0.204 294 Q C 1.409 177.565 176.000 0.259 0.000 1.002 294 Q CA -0.492 55.536 55.803 0.374 0.000 1.012 294 Q CB 0.731 29.671 28.738 0.336 0.000 1.188 294 Q HN 0.543 nan 8.270 nan 0.000 0.522 295 E N 1.462 121.739 120.200 0.128 0.000 2.065 295 E HA -0.247 4.103 4.350 0.001 0.000 0.201 295 E C 1.417 178.014 176.600 -0.006 0.000 1.016 295 E CA 2.200 58.636 56.400 0.060 0.000 0.818 295 E CB -0.007 29.715 29.700 0.037 0.000 0.749 295 E HN 0.626 nan 8.360 nan 0.000 0.453 296 E N -0.477 119.654 120.200 -0.115 0.000 2.463 296 E HA -0.222 4.128 4.350 0.001 0.000 0.201 296 E C 0.838 177.244 176.600 -0.323 0.000 1.045 296 E CA 1.184 57.439 56.400 -0.241 0.000 0.872 296 E CB -0.424 29.082 29.700 -0.322 0.000 0.797 296 E HN 0.571 nan 8.360 nan 0.000 0.538 297 H N 0.141 119.257 119.070 0.076 0.000 2.586 297 H HA 0.339 4.896 4.556 0.001 0.000 0.273 297 H C 0.726 176.046 175.328 -0.014 0.000 0.997 297 H CA -0.098 55.979 56.048 0.050 0.000 1.177 297 H CB 0.680 30.504 29.762 0.104 0.000 1.471 297 H HN 0.077 nan 8.280 nan 0.000 0.538 298 L N 0.484 121.756 121.223 0.082 0.000 2.387 298 L HA 0.209 4.549 4.340 0.001 0.000 0.266 298 L C 0.715 177.610 176.870 0.042 0.000 1.059 298 L CA -0.694 54.185 54.840 0.065 0.000 0.801 298 L CB 0.932 43.044 42.059 0.089 0.000 1.223 298 L HN -0.004 nan 8.230 nan 0.000 0.456 299 K N 0.720 121.158 120.400 0.063 0.000 3.077 299 K HA -0.181 4.140 4.320 0.001 0.000 0.264 299 K C -0.742 175.860 176.600 0.004 0.000 1.008 299 K CA 0.318 56.643 56.287 0.064 0.000 0.740 299 K CB -1.024 31.505 32.500 0.048 0.000 1.273 299 K HN 0.449 nan 8.250 nan 0.000 0.477 300 Q N 0.420 120.209 119.800 -0.018 0.000 2.345 300 Q HA 0.536 4.876 4.340 0.001 0.000 0.268 300 Q C -0.707 175.168 176.000 -0.208 0.000 1.054 300 Q CA -0.982 54.721 55.803 -0.166 0.000 0.835 300 Q CB 2.068 30.686 28.738 -0.201 0.000 1.339 300 Q HN 0.247 nan 8.270 nan 0.000 0.447 301 L N 1.947 122.948 121.223 -0.371 0.000 2.341 301 L HA 0.520 4.861 4.340 0.001 0.000 0.278 301 L C -1.851 174.728 176.870 -0.484 0.000 1.005 301 L CA -0.460 54.233 54.840 -0.245 0.000 0.818 301 L CB 1.132 43.125 42.059 -0.109 0.000 1.259 301 L HN 0.437 nan 8.230 nan 0.000 0.418 302 Y N 3.439 123.741 120.300 0.003 0.000 2.350 302 Y HA 0.556 5.106 4.550 0.001 0.000 0.338 302 Y C -0.330 175.548 175.900 -0.036 0.000 0.961 302 Y CA -0.702 57.406 58.100 0.014 0.000 1.100 302 Y CB 1.786 40.261 38.460 0.025 0.000 1.179 302 Y HN 0.414 nan 8.280 nan 0.000 0.454 303 K N 4.929 125.306 120.400 -0.038 0.000 2.293 303 K HA 0.644 4.964 4.320 0.001 0.000 0.267 303 K C -1.185 175.387 176.600 -0.047 0.000 1.010 303 K CA -0.285 55.763 56.287 -0.398 0.000 0.875 303 K CB 1.345 33.126 32.500 -1.198 0.000 1.106 303 K HN 0.562 nan 8.250 nan 0.000 0.450 304 I N 2.154 122.854 120.570 0.216 0.000 2.569 304 I HA 0.287 4.458 4.170 0.001 0.000 0.296 304 I C -0.430 175.892 176.117 0.342 0.000 1.028 304 I CA -1.389 60.076 61.300 0.276 0.000 1.082 304 I CB 2.141 40.254 38.000 0.188 0.000 1.264 304 I HN 0.153 nan 8.210 nan 0.000 0.429 305 V N 7.121 127.187 119.914 0.254 0.000 2.364 305 V HA 0.322 4.442 4.120 0.001 0.000 0.272 305 V C -1.875 174.300 176.094 0.134 0.000 1.036 305 V CA -1.269 61.151 62.300 0.200 0.000 0.880 305 V CB 0.846 32.765 31.823 0.161 0.000 0.991 305 V HN 0.602 nan 8.190 nan 0.000 0.460 306 P HA 0.399 nan 4.420 nan 0.000 0.280 306 P C 0.575 177.907 177.300 0.054 0.000 1.272 306 P CA -0.445 62.703 63.100 0.079 0.000 0.819 306 P CB 1.807 33.555 31.700 0.079 0.000 1.122 307 I N -0.646 119.948 120.570 0.040 0.000 2.270 307 I HA 0.050 4.221 4.170 0.001 0.000 0.239 307 I C 1.352 177.478 176.117 0.015 0.000 1.080 307 I CA 1.159 62.468 61.300 0.015 0.000 1.383 307 I CB -1.104 36.892 38.000 -0.006 0.000 1.097 307 I HN 0.346 nan 8.210 nan 0.000 0.420 308 K N 1.319 121.734 120.400 0.026 0.000 2.138 308 K HA -0.005 4.315 4.320 0.001 0.000 0.251 308 K C 0.016 176.632 176.600 0.027 0.000 1.015 308 K CA -0.336 55.968 56.287 0.027 0.000 0.917 308 K CB 0.455 32.978 32.500 0.039 0.000 1.021 308 K HN -0.068 nan 8.250 nan 0.000 0.485 309 D N 2.954 123.366 120.400 0.020 0.000 2.483 309 D HA 0.147 4.788 4.640 0.001 0.000 0.220 309 D C -0.664 175.645 176.300 0.015 0.000 1.173 309 D CA -0.216 53.790 54.000 0.011 0.000 0.964 309 D CB -0.515 40.286 40.800 0.001 0.000 1.046 309 D HN 0.379 nan 8.370 nan 0.000 0.517 310 I N -0.785 119.798 120.570 0.022 0.000 2.785 310 I HA 0.615 4.785 4.170 0.001 0.000 0.302 310 I C -0.435 175.692 176.117 0.016 0.000 1.069 310 I CA -1.237 60.079 61.300 0.027 0.000 1.045 310 I CB 2.366 40.396 38.000 0.050 0.000 1.236 310 I HN -0.179 nan 8.210 nan 0.000 0.429 311 R N 3.419 123.921 120.500 0.004 0.000 2.422 311 R HA 0.520 4.860 4.340 0.001 0.000 0.307 311 R C -1.369 174.913 176.300 -0.031 0.000 1.004 311 R CA -0.563 55.527 56.100 -0.015 0.000 0.882 311 R CB 1.305 31.588 30.300 -0.029 0.000 1.164 311 R HN 0.724 nan 8.270 nan 0.000 0.489 312 N N 2.632 121.311 118.700 -0.035 0.000 2.284 312 N HA 0.393 5.133 4.740 0.001 0.000 0.289 312 N C -1.768 173.614 175.510 -0.214 0.000 1.179 312 N CA -0.766 52.179 53.050 -0.174 0.000 0.774 312 N CB 2.637 40.971 38.487 -0.255 0.000 1.548 312 N HN 0.204 nan 8.380 nan 0.000 0.473 313 L N 1.637 122.631 121.223 -0.381 0.000 2.376 313 L HA 0.529 4.869 4.340 0.001 0.000 0.275 313 L C -1.848 174.747 176.870 -0.459 0.000 0.987 313 L CA -0.504 54.182 54.840 -0.258 0.000 0.828 313 L CB 0.766 42.746 42.059 -0.132 0.000 1.249 313 L HN 0.418 nan 8.230 nan 0.000 0.409 314 Y N 4.401 124.699 120.300 -0.003 0.000 2.328 314 Y HA 0.651 5.201 4.550 0.001 0.000 0.336 314 Y C -0.293 175.575 175.900 -0.054 0.000 0.960 314 Y CA -0.824 57.257 58.100 -0.031 0.000 1.134 314 Y CB 2.023 40.461 38.460 -0.036 0.000 1.166 314 Y HN 0.318 nan 8.280 nan 0.000 0.464 315 V N 3.700 123.628 119.914 0.025 0.000 2.384 315 V HA 0.536 4.657 4.120 0.001 0.000 0.287 315 V C -0.258 175.771 176.094 -0.109 0.000 1.020 315 V CA -0.531 61.704 62.300 -0.108 0.000 0.850 315 V CB 1.694 33.402 31.823 -0.191 0.000 0.987 315 V HN 0.818 nan 8.190 nan 0.000 0.436 316 T N 5.362 119.802 114.554 -0.190 0.000 2.861 316 T HA 0.718 5.068 4.350 0.001 0.000 0.287 316 T C -0.948 173.655 174.700 -0.161 0.000 1.003 316 T CA -0.229 61.848 62.100 -0.039 0.000 0.977 316 T CB 1.174 70.095 68.868 0.089 0.000 0.996 316 T HN 0.302 nan 8.240 nan 0.000 0.448 317 F N 2.875 123.024 119.950 0.332 0.000 2.518 317 F HA 0.448 4.976 4.527 0.001 0.000 0.323 317 F C -2.437 173.561 175.800 0.330 0.000 1.129 317 F CA -2.543 55.634 58.000 0.295 0.000 0.920 317 F CB 1.978 41.135 39.000 0.262 0.000 1.160 317 F HN 0.271 nan 8.300 nan 0.000 0.440 318 P HA 0.352 nan 4.420 nan 0.000 0.276 318 P C -0.825 176.509 177.300 0.056 0.000 1.230 318 P CA -0.104 63.025 63.100 0.048 0.000 0.776 318 P CB 0.749 32.220 31.700 -0.382 0.000 0.888 319 I N -0.329 120.299 120.570 0.097 0.000 3.095 319 I HA 0.714 4.884 4.170 0.001 0.000 0.310 319 I C -3.024 173.187 176.117 0.156 0.000 1.196 319 I CA -3.507 57.870 61.300 0.128 0.000 0.985 319 I CB 2.389 40.496 38.000 0.178 0.000 1.250 319 I HN 0.035 nan 8.210 nan 0.000 0.446 320 P HA 0.086 nan 4.420 nan 0.000 0.272 320 P C -1.156 176.220 177.300 0.126 0.000 1.240 320 P CA -0.018 63.172 63.100 0.149 0.000 0.791 320 P CB 0.379 32.166 31.700 0.145 0.000 0.978 321 D N 0.918 121.374 120.400 0.094 0.000 2.401 321 D HA 0.012 4.653 4.640 0.001 0.000 0.254 321 D C 0.404 176.755 176.300 0.084 0.000 1.192 321 D CA 0.453 54.479 54.000 0.043 0.000 0.885 321 D CB 0.152 40.958 40.800 0.009 0.000 1.147 321 D HN 0.230 nan 8.370 nan 0.000 0.478 322 L N 3.278 124.571 121.223 0.117 0.000 2.667 322 L HA 0.066 4.407 4.340 0.001 0.000 0.232 322 L C 1.884 178.845 176.870 0.152 0.000 1.138 322 L CA -0.231 54.750 54.840 0.235 0.000 0.921 322 L CB 0.001 42.219 42.059 0.266 0.000 1.180 322 L HN 0.381 nan 8.230 nan 0.000 0.487 323 Q N 2.506 122.349 119.800 0.072 0.000 2.112 323 Q HA -0.243 4.097 4.340 0.001 0.000 0.206 323 Q C 2.079 178.183 176.000 0.174 0.000 0.987 323 Q CA 2.162 58.029 55.803 0.107 0.000 0.858 323 Q CB -0.093 28.688 28.738 0.072 0.000 0.905 323 Q HN 0.594 nan 8.270 nan 0.000 0.420 324 K N -1.529 118.858 120.400 -0.023 0.000 2.362 324 K HA -0.144 4.177 4.320 0.001 0.000 0.200 324 K C 0.483 177.042 176.600 -0.068 0.000 1.046 324 K CA 1.150 57.414 56.287 -0.037 0.000 0.952 324 K CB -0.238 32.106 32.500 -0.259 0.000 0.753 324 K HN 0.247 nan 8.250 nan 0.000 0.466 325 Y N 1.099 121.483 120.300 0.141 0.000 2.495 325 Y HA 0.080 4.630 4.550 0.001 0.000 0.293 325 Y C 1.371 177.302 175.900 0.051 0.000 1.186 325 Y CA -1.325 56.797 58.100 0.037 0.000 1.266 325 Y CB -0.869 37.607 38.460 0.026 0.000 1.101 325 Y HN 0.198 nan 8.280 nan 0.000 0.517 326 Y N -0.127 120.312 120.300 0.231 0.000 2.365 326 Y HA -0.243 4.307 4.550 0.001 0.000 0.287 326 Y C 1.677 177.699 175.900 0.203 0.000 1.162 326 Y CA 0.994 59.236 58.100 0.237 0.000 1.260 326 Y CB -0.640 38.000 38.460 0.300 0.000 0.976 326 Y HN -0.051 nan 8.280 nan 0.000 0.548 327 K N 0.411 120.545 120.400 -0.442 0.000 2.283 327 K HA -0.078 4.242 4.320 0.001 0.000 0.202 327 K C 1.753 178.383 176.600 0.050 0.000 1.048 327 K CA 1.439 57.574 56.287 -0.255 0.000 0.948 327 K CB -0.117 32.189 32.500 -0.323 0.000 0.742 327 K HN 0.608 nan 8.250 nan 0.000 0.458 328 S N -1.022 114.743 115.700 0.108 0.000 2.649 328 S HA 0.071 4.542 4.470 0.001 0.000 0.246 328 S C 0.015 174.788 174.600 0.288 0.000 1.057 328 S CA -0.593 57.730 58.200 0.206 0.000 1.051 328 S CB 0.122 63.313 63.200 -0.016 0.000 1.018 328 S HN 0.113 nan 8.310 nan 0.000 0.569 329 N N 3.358 122.222 118.700 0.272 0.000 2.652 329 N HA -0.091 4.649 4.740 0.001 0.000 0.281 329 N C -1.760 173.908 175.510 0.264 0.000 1.084 329 N CA 1.021 54.255 53.050 0.307 0.000 0.775 329 N CB -0.572 38.180 38.487 0.442 0.000 0.923 329 N HN 0.429 nan 8.380 nan 0.000 0.558 330 P HA -0.128 nan 4.420 nan 0.000 0.218 330 P C 1.473 178.891 177.300 0.196 0.000 1.149 330 P CA 1.642 64.797 63.100 0.092 0.000 0.817 330 P CB 0.057 31.703 31.700 -0.090 0.000 0.785 331 G N -0.311 108.579 108.800 0.150 0.000 2.408 331 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 331 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 331 G C 1.524 176.553 174.900 0.215 0.000 1.150 331 G CA 0.557 45.769 45.100 0.187 0.000 0.776 331 G HN 0.310 nan 8.290 nan 0.000 0.542 332 H N -1.343 117.899 119.070 0.287 0.000 2.462 332 H HA -0.021 4.536 4.556 0.001 0.000 0.292 332 H C 2.032 177.534 175.328 0.290 0.000 1.049 332 H CA 0.947 57.140 56.048 0.242 0.000 1.334 332 H CB -0.255 29.613 29.762 0.175 0.000 1.404 332 H HN 0.506 nan 8.280 nan 0.000 0.544 333 Y N 1.545 122.036 120.300 0.318 0.000 2.145 333 Y HA -0.182 4.369 4.550 0.001 0.000 0.286 333 Y C 2.340 178.420 175.900 0.299 0.000 1.145 333 Y CA 1.280 59.554 58.100 0.291 0.000 1.148 333 Y CB -0.561 38.053 38.460 0.257 0.000 0.981 333 Y HN 0.009 nan 8.280 nan 0.000 0.507 334 L N -0.420 121.016 121.223 0.355 0.000 2.141 334 L HA -0.110 4.230 4.340 0.001 0.000 0.209 334 L C 2.660 179.742 176.870 0.353 0.000 1.094 334 L CA 1.102 56.100 54.840 0.263 0.000 0.763 334 L CB -1.067 41.112 42.059 0.200 0.000 0.908 334 L HN 0.434 nan 8.230 nan 0.000 0.437 335 G N -1.134 107.912 108.800 0.409 0.000 2.402 335 G HA2 -0.318 3.642 3.960 0.001 0.000 0.216 335 G HA3 -0.318 3.642 3.960 0.001 0.000 0.216 335 G C 1.343 176.358 174.900 0.191 0.000 1.162 335 G CA 0.838 46.101 45.100 0.272 0.000 0.777 335 G HN 0.407 nan 8.290 nan 0.000 0.539 336 H N 0.002 119.141 119.070 0.115 0.000 2.319 336 H HA -0.026 4.531 4.556 0.001 0.000 0.299 336 H C 2.324 177.717 175.328 0.108 0.000 1.092 336 H CA 1.496 57.599 56.048 0.091 0.000 1.302 336 H CB -0.139 29.642 29.762 0.032 0.000 1.373 336 H HN 0.228 nan 8.280 nan 0.000 0.497 337 L N -0.000 121.199 121.223 -0.040 0.000 2.068 337 L HA -0.020 4.321 4.340 0.001 0.000 0.204 337 L C 2.536 179.444 176.870 0.063 0.000 1.076 337 L CA 1.322 56.145 54.840 -0.028 0.000 0.753 337 L CB -0.710 41.322 42.059 -0.046 0.000 0.910 337 L HN 0.407 nan 8.230 nan 0.000 0.439 338 I N -0.947 119.680 120.570 0.094 0.000 2.315 338 I HA -0.181 3.989 4.170 0.001 0.000 0.248 338 I C 2.030 178.036 176.117 -0.184 0.000 1.117 338 I CA 1.391 62.660 61.300 -0.051 0.000 1.404 338 I CB -0.645 37.444 38.000 0.149 0.000 1.071 338 I HN 0.350 nan 8.210 nan 0.000 0.419 339 G N -1.033 107.717 108.800 -0.083 0.000 3.141 339 G HA2 -0.060 3.901 3.960 0.001 0.000 0.218 339 G HA3 -0.060 3.901 3.960 0.001 0.000 0.218 339 G C 0.613 175.390 174.900 -0.204 0.000 1.170 339 G CA -0.216 44.808 45.100 -0.126 0.000 0.769 339 G HN 0.287 nan 8.290 nan 0.000 0.546 340 H N 0.937 119.832 119.070 -0.293 0.000 2.871 340 H HA 0.093 4.650 4.556 0.001 0.000 0.355 340 H C 0.314 175.309 175.328 -0.555 0.000 1.092 340 H CA 0.839 56.665 56.048 -0.371 0.000 1.420 340 H CB 0.896 30.519 29.762 -0.232 0.000 1.400 340 H HN 0.309 nan 8.280 nan 0.000 0.604 341 E N 2.218 121.802 120.200 -1.027 0.000 2.583 341 E HA 0.183 4.534 4.350 0.001 0.000 0.213 341 E C 0.854 177.336 176.600 -0.196 0.000 0.989 341 E CA -0.328 55.679 56.400 -0.656 0.000 0.991 341 E CB 1.010 30.146 29.700 -0.940 0.000 1.040 341 E HN 0.655 nan 8.360 nan 0.000 0.481 342 G N 2.492 111.409 108.800 0.196 0.000 2.588 342 G HA2 0.245 4.206 3.960 0.001 0.000 0.278 342 G HA3 0.245 4.206 3.960 0.001 0.000 0.278 342 G C -2.565 172.459 174.900 0.206 0.000 1.307 342 G CA -1.107 44.182 45.100 0.316 0.000 1.016 342 G HN -0.153 nan 8.290 nan 0.000 0.503 343 P HA 0.202 nan 4.420 nan 0.000 0.266 343 P C 0.885 178.269 177.300 0.142 0.000 1.195 343 P CA 1.559 64.743 63.100 0.139 0.000 0.768 343 P CB 0.956 32.735 31.700 0.132 0.000 0.838 344 G N 1.367 110.255 108.800 0.146 0.000 2.199 344 G HA2 -0.254 3.706 3.960 0.001 0.000 0.254 344 G HA3 -0.254 3.706 3.960 0.001 0.000 0.254 344 G C 0.445 175.539 174.900 0.323 0.000 0.982 344 G CA 0.351 45.574 45.100 0.206 0.000 0.632 344 G HN 0.801 nan 8.290 nan 0.000 0.529 345 S N -0.152 115.679 115.700 0.219 0.000 2.600 345 S HA 0.569 5.039 4.470 0.001 0.000 0.265 345 S C 1.529 176.208 174.600 0.133 0.000 1.325 345 S CA 0.177 58.449 58.200 0.120 0.000 1.002 345 S CB 1.603 64.809 63.200 0.009 0.000 0.921 345 S HN 1.218 nan 8.310 nan 0.000 0.554 346 L N 1.427 122.474 121.223 -0.293 0.000 2.046 346 L HA 0.012 4.352 4.340 0.001 0.000 0.208 346 L C 2.179 179.049 176.870 0.001 0.000 1.077 346 L CA 1.528 56.227 54.840 -0.234 0.000 0.747 346 L CB -0.870 40.767 42.059 -0.704 0.000 0.896 346 L HN 0.879 nan 8.230 nan 0.000 0.432 347 L N -1.186 119.973 121.223 -0.107 0.000 1.989 347 L HA -0.254 4.086 4.340 0.001 0.000 0.211 347 L C 2.487 179.348 176.870 -0.014 0.000 1.071 347 L CA 2.040 56.837 54.840 -0.072 0.000 0.749 347 L CB -0.495 41.481 42.059 -0.138 0.000 0.890 347 L HN 0.374 nan 8.230 nan 0.000 0.431 348 S N -0.261 115.444 115.700 0.009 0.000 2.380 348 S HA -0.275 4.195 4.470 0.001 0.000 0.229 348 S C 1.705 176.312 174.600 0.011 0.000 1.043 348 S CA 1.914 60.127 58.200 0.021 0.000 1.038 348 S CB -0.243 62.989 63.200 0.054 0.000 0.872 348 S HN 0.464 nan 8.310 nan 0.000 0.456 349 E N 1.312 121.554 120.200 0.069 0.000 2.072 349 E HA 0.022 4.372 4.350 0.001 0.000 0.190 349 E C 1.870 178.404 176.600 -0.111 0.000 0.982 349 E CA 0.868 57.260 56.400 -0.014 0.000 0.803 349 E CB -0.396 29.329 29.700 0.040 0.000 0.755 349 E HN 0.476 nan 8.360 nan 0.000 0.453 350 L N 0.328 121.539 121.223 -0.019 0.000 2.131 350 L HA -0.108 4.232 4.340 0.001 0.000 0.210 350 L C 2.643 179.465 176.870 -0.080 0.000 1.092 350 L CA 1.325 56.142 54.840 -0.038 0.000 0.759 350 L CB -0.382 41.722 42.059 0.075 0.000 0.903 350 L HN 0.138 nan 8.230 nan 0.000 0.435 351 K N -0.220 120.142 120.400 -0.065 0.000 2.076 351 K HA -0.087 4.233 4.320 0.001 0.000 0.204 351 K C 2.266 178.797 176.600 -0.115 0.000 1.051 351 K CA 1.125 57.376 56.287 -0.060 0.000 0.949 351 K CB 0.152 32.633 32.500 -0.032 0.000 0.726 351 K HN 0.086 nan 8.250 nan 0.000 0.443 352 S N 1.323 116.938 115.700 -0.141 0.000 2.383 352 S HA -0.086 4.385 4.470 0.001 0.000 0.229 352 S C 1.415 175.850 174.600 -0.274 0.000 1.030 352 S CA 1.251 59.352 58.200 -0.165 0.000 1.002 352 S CB -0.064 63.047 63.200 -0.148 0.000 0.829 352 S HN 0.331 nan 8.310 nan 0.000 0.467 353 K N 0.528 120.648 120.400 -0.466 0.000 2.525 353 K HA 0.108 4.429 4.320 0.001 0.000 0.192 353 K C 1.116 177.296 176.600 -0.700 0.000 1.029 353 K CA 0.529 56.337 56.287 -0.798 0.000 1.029 353 K CB -0.175 31.383 32.500 -1.571 0.000 0.814 353 K HN 0.436 nan 8.250 nan 0.000 0.503 354 G N 1.182 109.775 108.800 -0.345 0.000 2.225 354 G HA2 -0.180 3.780 3.960 0.001 0.000 0.264 354 G HA3 -0.180 3.780 3.960 0.001 0.000 0.264 354 G C 0.105 175.064 174.900 0.097 0.000 1.060 354 G CA 0.015 45.050 45.100 -0.108 0.000 0.833 354 G HN 0.323 nan 8.290 nan 0.000 0.498 355 W N -1.251 120.016 121.300 -0.055 0.000 2.792 355 W HA 0.517 5.177 4.660 0.001 0.000 0.262 355 W C 1.111 177.611 176.519 -0.033 0.000 1.212 355 W CA 0.556 57.877 57.345 -0.040 0.000 1.433 355 W CB -0.076 29.347 29.460 -0.062 0.000 1.004 355 W HN 0.814 nan 8.180 nan 0.000 0.608 356 V N -1.155 118.866 119.914 0.178 0.000 3.159 356 V HA 0.551 4.672 4.120 0.001 0.000 0.308 356 V C 0.121 176.236 176.094 0.035 0.000 1.190 356 V CA -0.706 61.643 62.300 0.081 0.000 1.037 356 V CB 2.181 34.036 31.823 0.054 0.000 1.060 356 V HN -0.107 nan 8.190 nan 0.000 0.437 357 N N 0.702 119.409 118.700 0.013 0.000 2.460 357 N HA 0.178 4.918 4.740 0.001 0.000 0.193 357 N C 0.529 176.027 175.510 -0.019 0.000 1.080 357 N CA 1.196 54.247 53.050 0.002 0.000 0.869 357 N CB 0.926 39.419 38.487 0.010 0.000 1.201 357 N HN 1.033 nan 8.380 nan 0.000 0.457 358 T N -1.226 113.310 114.554 -0.029 0.000 2.906 358 T HA 0.738 5.088 4.350 0.001 0.000 0.295 358 T C -0.746 173.914 174.700 -0.067 0.000 1.075 358 T CA -0.768 61.303 62.100 -0.049 0.000 1.005 358 T CB 2.505 71.350 68.868 -0.038 0.000 1.136 358 T HN 0.004 nan 8.240 nan 0.000 0.498 359 L N 1.372 122.544 121.223 -0.084 0.000 2.513 359 L HA 0.829 5.169 4.340 0.001 0.000 0.261 359 L C -1.691 175.122 176.870 -0.095 0.000 0.945 359 L CA -0.950 53.832 54.840 -0.097 0.000 0.848 359 L CB 1.974 43.964 42.059 -0.115 0.000 1.334 359 L HN 0.819 nan 8.230 nan 0.000 0.407 360 V N 3.802 123.667 119.914 -0.081 0.000 2.709 360 V HA 1.008 5.129 4.120 0.001 0.000 0.308 360 V C -0.461 175.587 176.094 -0.077 0.000 1.062 360 V CA 0.498 62.758 62.300 -0.068 0.000 0.901 360 V CB 1.807 33.604 31.823 -0.042 0.000 1.003 360 V HN 0.917 nan 8.190 nan 0.000 0.425 361 G N 2.893 111.640 108.800 -0.087 0.000 2.642 361 G HA2 0.933 4.893 3.960 0.001 0.000 0.293 361 G HA3 0.933 4.893 3.960 0.001 0.000 0.293 361 G C -0.207 174.564 174.900 -0.215 0.000 1.341 361 G CA -0.175 44.844 45.100 -0.134 0.000 0.916 361 G HN 1.931 nan 8.290 nan 0.000 0.474 362 G N -0.809 107.628 108.800 -0.604 0.000 2.334 362 G HA2 0.456 4.417 3.960 0.001 0.000 0.315 362 G HA3 0.456 4.417 3.960 0.001 0.000 0.315 362 G C -0.577 173.763 174.900 -0.934 0.000 1.284 362 G CA -0.095 44.612 45.100 -0.654 0.000 0.985 362 G HN 1.200 nan 8.290 nan 0.000 0.504 363 Q N -0.424 119.150 119.800 -0.378 0.000 2.260 363 Q HA 0.690 5.031 4.340 0.001 0.000 0.242 363 Q C -0.281 175.700 176.000 -0.031 0.000 0.932 363 Q CA -0.478 55.240 55.803 -0.141 0.000 0.891 363 Q CB 1.833 30.566 28.738 -0.009 0.000 1.222 363 Q HN 0.651 nan 8.270 nan 0.000 0.453 364 K N 1.527 121.984 120.400 0.095 0.000 2.397 364 K HA 0.198 4.518 4.320 0.001 0.000 0.253 364 K C -0.763 175.972 176.600 0.224 0.000 0.932 364 K CA -0.592 55.787 56.287 0.152 0.000 0.795 364 K CB 1.575 34.184 32.500 0.181 0.000 1.159 364 K HN 0.629 nan 8.250 nan 0.000 0.424 365 E N 1.878 122.165 120.200 0.145 0.000 2.418 365 E HA 0.022 4.372 4.350 0.001 0.000 0.261 365 E C 0.236 176.935 176.600 0.165 0.000 1.070 365 E CA 0.439 56.893 56.400 0.091 0.000 0.931 365 E CB 1.388 31.118 29.700 0.050 0.000 0.954 365 E HN 0.927 nan 8.360 nan 0.000 0.439 366 G N 0.324 109.060 108.800 -0.107 0.000 2.443 366 G HA2 0.559 4.519 3.960 0.001 0.000 0.188 366 G HA3 0.559 4.519 3.960 0.001 0.000 0.188 366 G C -0.348 174.155 174.900 -0.661 0.000 1.654 366 G CA 0.665 45.553 45.100 -0.355 0.000 0.685 366 G HN 0.751 nan 8.290 nan 0.000 0.694 367 A N -1.240 120.939 122.820 -1.068 0.000 2.490 367 A HA 0.596 4.916 4.320 0.001 0.000 0.292 367 A C -1.090 176.294 177.584 -0.333 0.000 1.047 367 A CA -0.747 50.981 52.037 -0.515 0.000 0.632 367 A CB 0.139 18.881 19.000 -0.429 0.000 1.323 367 A HN 0.228 nan 8.150 nan 0.000 0.448 368 R N 0.424 120.963 120.500 0.065 0.000 2.561 368 R HA 0.306 4.646 4.340 0.001 0.000 0.347 368 R C 1.235 177.605 176.300 0.117 0.000 0.916 368 R CA 1.587 57.742 56.100 0.091 0.000 1.063 368 R CB -0.626 29.720 30.300 0.075 0.000 0.916 368 R HN 2.104 nan 8.270 nan 0.000 0.410 369 G N 2.341 111.170 108.800 0.049 0.000 2.284 369 G HA2 -0.232 3.728 3.960 0.001 0.000 0.201 369 G HA3 -0.232 3.728 3.960 0.001 0.000 0.201 369 G C -0.243 174.767 174.900 0.183 0.000 0.998 369 G CA -0.014 45.171 45.100 0.143 0.000 0.651 369 G HN 0.611 nan 8.290 nan 0.000 0.489 370 F N -0.820 119.077 119.950 -0.089 0.000 2.650 370 F HA 0.873 5.401 4.527 0.001 0.000 0.310 370 F C -0.758 174.794 175.800 -0.412 0.000 1.112 370 F CA -1.647 56.171 58.000 -0.303 0.000 0.986 370 F CB 0.908 39.492 39.000 -0.693 0.000 1.285 370 F HN 0.121 nan 8.300 nan 0.000 0.440 371 M N 2.150 121.587 119.600 -0.271 0.000 2.744 371 M HA 0.699 5.180 4.480 0.001 0.000 0.283 371 M C -1.765 174.295 176.300 -0.400 0.000 1.275 371 M CA -0.674 54.436 55.300 -0.316 0.000 0.796 371 M CB 2.932 35.506 32.600 -0.043 0.000 1.739 371 M HN 0.657 nan 8.290 nan 0.000 0.454 372 F N -0.310 119.779 119.950 0.232 0.000 2.620 372 F HA 0.658 5.185 4.527 0.001 0.000 0.320 372 F C -1.105 174.871 175.800 0.292 0.000 1.069 372 F CA -0.711 57.468 58.000 0.298 0.000 0.953 372 F CB 1.560 40.708 39.000 0.247 0.000 1.322 372 F HN 0.290 nan 8.300 nan 0.000 0.479 373 F N 3.231 123.439 119.950 0.430 0.000 2.518 373 F HA 0.744 5.271 4.527 0.001 0.000 0.323 373 F C -0.955 175.067 175.800 0.370 0.000 1.129 373 F CA -1.067 57.129 58.000 0.327 0.000 0.920 373 F CB 1.061 40.219 39.000 0.263 0.000 1.160 373 F HN 0.338 nan 8.300 nan 0.000 0.440 374 I N 3.887 124.405 120.570 -0.087 0.000 2.846 374 I HA 0.714 4.884 4.170 0.001 0.000 0.307 374 I C -1.352 174.761 176.117 -0.006 0.000 1.053 374 I CA -1.111 60.224 61.300 0.058 0.000 1.050 374 I CB 2.183 40.206 38.000 0.039 0.000 1.239 374 I HN 0.460 nan 8.210 nan 0.000 0.439 375 I N 3.598 124.208 120.570 0.067 0.000 2.540 375 I HA 0.392 4.562 4.170 0.001 0.000 0.280 375 I C -1.274 174.825 176.117 -0.030 0.000 1.083 375 I CA -0.406 60.905 61.300 0.019 0.000 1.080 375 I CB 1.065 39.101 38.000 0.060 0.000 1.205 375 I HN 0.549 nan 8.210 nan 0.000 0.459 376 N N 5.646 124.313 118.700 -0.056 0.000 2.314 376 N HA 0.756 5.497 4.740 0.001 0.000 0.304 376 N C -0.735 174.679 175.510 -0.160 0.000 1.073 376 N CA -0.529 52.443 53.050 -0.130 0.000 0.822 376 N CB 3.090 41.537 38.487 -0.068 0.000 1.280 376 N HN 0.358 nan 8.380 nan 0.000 0.489 377 V N -2.114 117.665 119.914 -0.225 0.000 3.114 377 V HA 0.638 4.759 4.120 0.001 0.000 0.308 377 V C -0.838 175.147 176.094 -0.182 0.000 1.168 377 V CA -1.146 61.059 62.300 -0.158 0.000 1.015 377 V CB 2.122 33.886 31.823 -0.099 0.000 1.050 377 V HN 0.643 nan 8.190 nan 0.000 0.433 378 D N 1.991 122.326 120.400 -0.108 0.000 2.348 378 D HA 0.591 5.231 4.640 0.001 0.000 0.249 378 D C -0.505 175.766 176.300 -0.049 0.000 1.110 378 D CA -0.569 53.381 54.000 -0.083 0.000 0.967 378 D CB 1.754 42.530 40.800 -0.039 0.000 1.139 378 D HN 0.686 nan 8.370 nan 0.000 0.466 379 L N 0.183 121.386 121.223 -0.033 0.000 2.362 379 L HA 0.406 4.746 4.340 0.001 0.000 0.271 379 L C 0.739 177.619 176.870 0.017 0.000 1.002 379 L CA -0.936 53.901 54.840 -0.005 0.000 0.818 379 L CB 2.158 44.201 42.059 -0.026 0.000 1.298 379 L HN 0.611 nan 8.230 nan 0.000 0.420 380 T N -2.647 111.940 114.554 0.054 0.000 2.810 380 T HA 0.219 4.570 4.350 0.001 0.000 0.277 380 T C 0.872 175.602 174.700 0.050 0.000 0.973 380 T CA -0.596 61.540 62.100 0.061 0.000 0.949 380 T CB 1.099 70.028 68.868 0.101 0.000 1.075 380 T HN 0.648 nan 8.240 nan 0.000 0.537 381 E N 0.122 120.349 120.200 0.045 0.000 2.085 381 E HA -0.164 4.186 4.350 0.001 0.000 0.194 381 E C 2.184 178.820 176.600 0.058 0.000 0.994 381 E CA 1.111 57.529 56.400 0.030 0.000 0.801 381 E CB 0.008 29.724 29.700 0.027 0.000 0.743 381 E HN 0.593 nan 8.360 nan 0.000 0.453 382 E N -0.010 120.266 120.200 0.126 0.000 2.107 382 E HA -0.087 4.263 4.350 0.001 0.000 0.191 382 E C 2.212 178.926 176.600 0.191 0.000 0.982 382 E CA 0.854 57.386 56.400 0.220 0.000 0.809 382 E CB -0.292 29.601 29.700 0.322 0.000 0.756 382 E HN 0.337 nan 8.360 nan 0.000 0.459 383 G N 1.395 110.279 108.800 0.139 0.000 2.432 383 G HA2 -0.239 3.721 3.960 0.001 0.000 0.219 383 G HA3 -0.239 3.721 3.960 0.001 0.000 0.219 383 G C 1.601 176.436 174.900 -0.108 0.000 1.135 383 G CA 0.629 45.707 45.100 -0.037 0.000 0.767 383 G HN 0.245 nan 8.290 nan 0.000 0.550 384 L N 0.172 121.365 121.223 -0.050 0.000 2.201 384 L HA 0.200 4.540 4.340 0.001 0.000 0.212 384 L C 2.295 179.106 176.870 -0.099 0.000 1.105 384 L CA 1.190 55.987 54.840 -0.071 0.000 0.775 384 L CB -0.126 41.886 42.059 -0.078 0.000 0.913 384 L HN 0.195 nan 8.230 nan 0.000 0.440 385 L N -1.632 119.517 121.223 -0.124 0.000 2.558 385 L HA 0.020 4.360 4.340 0.001 0.000 0.225 385 L C 0.552 177.132 176.870 -0.483 0.000 1.128 385 L CA 0.186 54.882 54.840 -0.240 0.000 0.868 385 L CB -0.278 41.645 42.059 -0.227 0.000 1.006 385 L HN 0.323 nan 8.230 nan 0.000 0.454 386 H N -2.076 116.791 119.070 -0.339 0.000 2.505 386 H HA 0.159 4.715 4.556 0.001 0.000 0.260 386 H C 1.365 176.411 175.328 -0.470 0.000 1.168 386 H CA -0.244 55.488 56.048 -0.527 0.000 0.945 386 H CB 0.494 29.556 29.762 -1.167 0.000 1.800 386 H HN -0.141 nan 8.280 nan 0.000 0.586 387 V N 0.160 119.981 119.914 -0.155 0.000 2.332 387 V HA -0.285 3.835 4.120 0.001 0.000 0.248 387 V C 2.411 178.547 176.094 0.069 0.000 1.055 387 V CA 2.320 64.591 62.300 -0.048 0.000 1.038 387 V CB -0.078 31.766 31.823 0.034 0.000 0.651 387 V HN 0.623 nan 8.190 nan 0.000 0.450 388 E N -0.131 120.157 120.200 0.146 0.000 2.085 388 E HA -0.273 4.078 4.350 0.001 0.000 0.194 388 E C 1.877 178.708 176.600 0.385 0.000 0.994 388 E CA 1.635 58.257 56.400 0.370 0.000 0.801 388 E CB -0.078 29.770 29.700 0.247 0.000 0.743 388 E HN 0.606 nan 8.360 nan 0.000 0.453 389 D N 0.337 120.849 120.400 0.187 0.000 2.117 389 D HA -0.138 4.502 4.640 0.001 0.000 0.198 389 D C 2.066 178.571 176.300 0.342 0.000 0.982 389 D CA 0.864 55.025 54.000 0.268 0.000 0.828 389 D CB -0.185 40.687 40.800 0.121 0.000 0.967 389 D HN 0.312 nan 8.370 nan 0.000 0.464 390 I N 0.878 121.477 120.570 0.048 0.000 2.163 390 I HA -0.258 3.912 4.170 0.001 0.000 0.243 390 I C 2.422 178.622 176.117 0.137 0.000 1.085 390 I CA 0.891 62.271 61.300 0.133 0.000 1.347 390 I CB -0.178 37.816 38.000 -0.009 0.000 1.044 390 I HN -0.037 nan 8.210 nan 0.000 0.408 391 I N 0.095 120.671 120.570 0.011 0.000 2.286 391 I HA -0.288 3.882 4.170 0.001 0.000 0.248 391 I C 2.519 178.523 176.117 -0.188 0.000 1.115 391 I CA 1.011 62.152 61.300 -0.266 0.000 1.392 391 I CB -0.299 37.342 38.000 -0.599 0.000 1.065 391 I HN 0.267 nan 8.210 nan 0.000 0.418 392 L N 0.511 121.809 121.223 0.126 0.000 2.012 392 L HA -0.268 4.073 4.340 0.001 0.000 0.210 392 L C 2.596 179.636 176.870 0.284 0.000 1.073 392 L CA 2.056 57.086 54.840 0.316 0.000 0.748 392 L CB -0.988 41.339 42.059 0.447 0.000 0.891 392 L HN 0.260 nan 8.230 nan 0.000 0.431 393 H N -1.126 118.112 119.070 0.280 0.000 2.387 393 H HA -0.151 4.405 4.556 0.001 0.000 0.299 393 H C 2.252 177.676 175.328 0.160 0.000 1.090 393 H CA 2.038 58.311 56.048 0.374 0.000 1.332 393 H CB -0.047 29.999 29.762 0.474 0.000 1.386 393 H HN 0.408 nan 8.280 nan 0.000 0.516 394 M N -0.264 119.396 119.600 0.100 0.000 2.080 394 M HA -0.180 4.300 4.480 0.001 0.000 0.260 394 M C 1.956 178.154 176.300 -0.170 0.000 1.068 394 M CA 1.692 56.903 55.300 -0.149 0.000 1.109 394 M CB -0.248 32.149 32.600 -0.339 0.000 1.342 394 M HN 0.105 nan 8.290 nan 0.000 0.405 395 F N -0.138 119.822 119.950 0.015 0.000 2.325 395 F HA -0.170 4.357 4.527 0.001 0.000 0.299 395 F C 2.469 178.300 175.800 0.051 0.000 1.090 395 F CA 0.878 58.894 58.000 0.028 0.000 1.392 395 F CB -0.221 38.794 39.000 0.025 0.000 1.053 395 F HN 0.205 nan 8.300 nan 0.000 0.521 396 Q N -0.978 118.970 119.800 0.246 0.000 2.119 396 Q HA -0.228 4.113 4.340 0.001 0.000 0.201 396 Q C 1.892 177.967 176.000 0.124 0.000 0.972 396 Q CA 1.582 57.522 55.803 0.228 0.000 0.847 396 Q CB -0.417 28.524 28.738 0.339 0.000 0.903 396 Q HN 0.527 nan 8.270 nan 0.000 0.433 397 Y N 1.199 121.357 120.300 -0.236 0.000 2.200 397 Y HA -0.180 4.370 4.550 0.001 0.000 0.290 397 Y C 1.892 177.689 175.900 -0.171 0.000 1.137 397 Y CA 1.268 59.093 58.100 -0.457 0.000 1.163 397 Y CB -0.035 37.949 38.460 -0.793 0.000 0.988 397 Y HN 0.000 nan 8.280 nan 0.000 0.518 398 I N 0.026 120.603 120.570 0.011 0.000 2.286 398 I HA -0.304 3.866 4.170 0.001 0.000 0.248 398 I C 2.300 178.395 176.117 -0.038 0.000 1.115 398 I CA 1.578 62.871 61.300 -0.010 0.000 1.392 398 I CB -0.367 37.653 38.000 0.032 0.000 1.065 398 I HN 0.267 nan 8.210 nan 0.000 0.418 399 Q N 1.477 121.287 119.800 0.016 0.000 2.167 399 Q HA -0.229 4.111 4.340 0.001 0.000 0.202 399 Q C 1.963 177.945 176.000 -0.029 0.000 0.970 399 Q CA 1.636 57.452 55.803 0.021 0.000 0.855 399 Q CB -0.146 28.635 28.738 0.073 0.000 0.911 399 Q HN 0.191 nan 8.270 nan 0.000 0.438 400 K N -0.140 120.205 120.400 -0.091 0.000 2.097 400 K HA -0.045 4.275 4.320 0.001 0.000 0.205 400 K C 1.786 178.292 176.600 -0.155 0.000 1.050 400 K CA 1.296 57.508 56.287 -0.125 0.000 0.938 400 K CB -0.431 31.943 32.500 -0.209 0.000 0.718 400 K HN 0.348 nan 8.250 nan 0.000 0.442 401 L N 0.073 121.162 121.223 -0.223 0.000 2.056 401 L HA -0.108 4.232 4.340 0.001 0.000 0.207 401 L C 2.594 179.440 176.870 -0.040 0.000 1.078 401 L CA 1.329 56.091 54.840 -0.130 0.000 0.749 401 L CB -0.402 41.589 42.059 -0.114 0.000 0.901 401 L HN 0.171 nan 8.230 nan 0.000 0.433 402 R N 0.082 120.557 120.500 -0.042 0.000 2.073 402 R HA -0.147 4.193 4.340 0.001 0.000 0.234 402 R C 2.435 178.730 176.300 -0.008 0.000 1.134 402 R CA 1.446 57.533 56.100 -0.021 0.000 0.952 402 R CB -0.490 29.798 30.300 -0.020 0.000 0.850 402 R HN 0.353 nan 8.270 nan 0.000 0.433 403 A N 1.148 123.964 122.820 -0.008 0.000 1.933 403 A HA -0.145 4.175 4.320 0.001 0.000 0.218 403 A C 1.803 179.397 177.584 0.017 0.000 1.175 403 A CA 1.274 53.314 52.037 0.006 0.000 0.628 403 A CB -0.129 18.876 19.000 0.009 0.000 0.814 403 A HN 0.172 nan 8.150 nan 0.000 0.444 404 E N -0.816 119.395 120.200 0.019 0.000 2.299 404 E HA 0.234 4.585 4.350 0.001 0.000 0.193 404 E C 1.188 177.828 176.600 0.066 0.000 0.998 404 E CA 0.695 57.124 56.400 0.048 0.000 0.851 404 E CB -0.479 29.255 29.700 0.056 0.000 0.795 404 E HN 0.730 nan 8.360 nan 0.000 0.492 405 G N 2.966 111.797 108.800 0.051 0.000 2.819 405 G HA2 -0.190 3.770 3.960 0.001 0.000 0.682 405 G HA3 -0.190 3.770 3.960 0.001 0.000 0.682 405 G C -2.484 172.481 174.900 0.108 0.000 1.481 405 G CA -0.512 44.620 45.100 0.054 0.000 0.904 405 G HN -0.030 nan 8.290 nan 0.000 0.563 406 P HA 0.161 nan 4.420 nan 0.000 0.262 406 P C -0.387 177.092 177.300 0.299 0.000 1.182 406 P CA 0.487 63.679 63.100 0.154 0.000 0.761 406 P CB 0.829 32.476 31.700 -0.089 0.000 0.795 407 Q N 1.654 121.667 119.800 0.354 0.000 2.398 407 Q HA 0.116 4.457 4.340 0.001 0.000 0.251 407 Q C 1.143 177.058 176.000 -0.142 0.000 0.999 407 Q CA -0.033 55.868 55.803 0.163 0.000 0.874 407 Q CB 0.707 29.484 28.738 0.065 0.000 1.215 407 Q HN 0.456 nan 8.270 nan 0.000 0.470 408 E N 4.210 124.188 120.200 -0.371 0.000 2.106 408 E HA -0.155 4.196 4.350 0.001 0.000 0.192 408 E C 0.996 177.379 176.600 -0.361 0.000 0.984 408 E CA 1.305 57.119 56.400 -0.977 0.000 0.806 408 E CB 0.027 29.287 29.700 -0.732 0.000 0.750 408 E HN 0.869 nan 8.360 nan 0.000 0.458 409 W N 0.290 121.513 121.300 -0.128 0.000 2.374 409 W HA -0.135 4.526 4.660 0.001 0.000 0.288 409 W C 1.363 177.893 176.519 0.019 0.000 1.218 409 W CA 0.553 57.877 57.345 -0.036 0.000 1.245 409 W CB -0.913 28.546 29.460 -0.002 0.000 1.126 409 W HN -0.071 nan 8.180 nan 0.000 0.545 410 V N 1.672 121.030 119.914 -0.927 0.000 2.270 410 V HA -0.310 3.811 4.120 0.001 0.000 0.245 410 V C 2.376 178.324 176.094 -0.243 0.000 1.043 410 V CA 2.411 64.220 62.300 -0.818 0.000 1.014 410 V CB -1.375 30.035 31.823 -0.688 0.000 0.645 410 V HN 0.145 nan 8.190 nan 0.000 0.447 411 F N 1.042 120.866 119.950 -0.211 0.000 2.095 411 F HA -0.284 4.244 4.527 0.001 0.000 0.298 411 F C 2.538 178.276 175.800 -0.104 0.000 1.104 411 F CA 2.402 60.352 58.000 -0.083 0.000 1.232 411 F CB -0.325 38.585 39.000 -0.150 0.000 0.987 411 F HN 0.144 nan 8.300 nan 0.000 0.475 412 Q N 0.838 120.604 119.800 -0.056 0.000 2.084 412 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 412 Q C 2.238 178.183 176.000 -0.091 0.000 0.978 412 Q CA 2.171 57.935 55.803 -0.065 0.000 0.844 412 Q CB -0.537 28.236 28.738 0.058 0.000 0.898 412 Q HN 0.665 nan 8.270 nan 0.000 0.426 413 E N -1.239 118.939 120.200 -0.036 0.000 2.058 413 E HA -0.201 4.149 4.350 0.001 0.000 0.194 413 E C 1.832 178.384 176.600 -0.081 0.000 0.997 413 E CA 1.509 57.916 56.400 0.012 0.000 0.801 413 E CB -0.145 29.617 29.700 0.103 0.000 0.746 413 E HN 0.509 nan 8.360 nan 0.000 0.450 414 C N 0.766 119.944 119.300 -0.204 0.000 2.446 414 C HA -0.068 4.393 4.460 0.001 0.000 0.277 414 C C 2.620 177.466 174.990 -0.241 0.000 1.275 414 C CA 0.936 59.805 59.018 -0.248 0.000 1.727 414 C CB -0.793 26.728 27.740 -0.364 0.000 2.010 414 C HN 0.505 nan 8.230 nan 0.000 0.486 415 K N 1.101 121.278 120.400 -0.371 0.000 2.020 415 K HA -0.213 4.107 4.320 0.001 0.000 0.212 415 K C 1.549 178.063 176.600 -0.144 0.000 1.050 415 K CA 2.153 58.241 56.287 -0.331 0.000 0.929 415 K CB -0.300 31.933 32.500 -0.444 0.000 0.714 415 K HN 0.417 nan 8.250 nan 0.000 0.443 416 D N 0.613 120.956 120.400 -0.094 0.000 2.144 416 D HA -0.149 4.492 4.640 0.001 0.000 0.199 416 D C 1.944 178.247 176.300 0.004 0.000 0.984 416 D CA 0.722 54.706 54.000 -0.026 0.000 0.834 416 D CB -0.046 40.759 40.800 0.008 0.000 0.955 416 D HN 0.150 nan 8.370 nan 0.000 0.465 417 L N 1.357 122.583 121.223 0.005 0.000 2.056 417 L HA -0.100 4.240 4.340 0.001 0.000 0.207 417 L C 1.779 178.696 176.870 0.079 0.000 1.078 417 L CA 1.433 56.305 54.840 0.054 0.000 0.749 417 L CB -1.135 40.950 42.059 0.043 0.000 0.901 417 L HN -0.060 nan 8.230 nan 0.000 0.433 418 N N -0.271 118.452 118.700 0.038 0.000 2.223 418 N HA -0.103 4.638 4.740 0.001 0.000 0.185 418 N C 1.821 177.431 175.510 0.168 0.000 1.016 418 N CA 1.315 54.433 53.050 0.113 0.000 0.863 418 N CB -0.253 38.252 38.487 0.030 0.000 0.983 418 N HN 0.364 nan 8.380 nan 0.000 0.429 419 A N 0.289 123.146 122.820 0.062 0.000 1.898 419 A HA -0.061 4.260 4.320 0.001 0.000 0.216 419 A C 2.412 179.996 177.584 0.001 0.000 1.181 419 A CA 1.200 53.257 52.037 0.033 0.000 0.620 419 A CB -0.760 18.227 19.000 -0.021 0.000 0.819 419 A HN 0.097 nan 8.150 nan 0.000 0.442 420 V N -0.137 119.774 119.914 -0.006 0.000 2.295 420 V HA -0.235 3.885 4.120 0.001 0.000 0.246 420 V C 3.070 179.214 176.094 0.083 0.000 1.049 420 V CA 1.927 64.188 62.300 -0.065 0.000 1.024 420 V CB -1.180 30.632 31.823 -0.020 0.000 0.648 420 V HN 0.614 nan 8.190 nan 0.000 0.447 421 A N -0.524 122.437 122.820 0.235 0.000 1.902 421 A HA -0.254 4.066 4.320 0.001 0.000 0.217 421 A C 2.119 179.804 177.584 0.168 0.000 1.181 421 A CA 2.098 54.337 52.037 0.337 0.000 0.623 421 A CB -0.734 18.511 19.000 0.408 0.000 0.818 421 A HN 0.525 nan 8.150 nan 0.000 0.443 422 F N 0.534 120.419 119.950 -0.109 0.000 2.134 422 F HA -0.126 4.401 4.527 0.001 0.000 0.299 422 F C 2.342 177.908 175.800 -0.389 0.000 1.097 422 F CA 1.890 59.567 58.000 -0.539 0.000 1.264 422 F CB -0.294 38.397 39.000 -0.514 0.000 1.001 422 F HN 0.219 nan 8.300 nan 0.000 0.479 423 R N -0.410 119.844 120.500 -0.409 0.000 2.073 423 R HA -0.170 4.171 4.340 0.001 0.000 0.234 423 R C 1.374 177.272 176.300 -0.671 0.000 1.134 423 R CA 1.950 57.648 56.100 -0.670 0.000 0.952 423 R CB -0.659 29.104 30.300 -0.895 0.000 0.850 423 R HN 0.363 nan 8.270 nan 0.000 0.433 424 F N 1.302 121.158 119.950 -0.155 0.000 2.713 424 F HA 0.247 4.774 4.527 0.001 0.000 0.294 424 F C 0.349 176.099 175.800 -0.084 0.000 1.152 424 F CA -0.612 57.346 58.000 -0.071 0.000 1.385 424 F CB 0.280 39.325 39.000 0.074 0.000 0.981 424 F HN -0.102 nan 8.300 nan 0.000 0.514 425 K N 1.673 122.018 120.400 -0.092 0.000 2.484 425 K HA -0.030 4.291 4.320 0.001 0.000 0.280 425 K C -0.051 176.481 176.600 -0.114 0.000 1.013 425 K CA -0.282 55.931 56.287 -0.123 0.000 1.029 425 K CB 0.401 32.708 32.500 -0.322 0.000 0.902 425 K HN 0.031 nan 8.250 nan 0.000 0.481 426 D N 3.276 123.612 120.400 -0.106 0.000 2.382 426 D HA -0.019 4.621 4.640 0.001 0.000 0.240 426 D C -0.143 176.050 176.300 -0.178 0.000 1.146 426 D CA 0.208 54.115 54.000 -0.156 0.000 0.897 426 D CB 0.809 41.491 40.800 -0.197 0.000 1.197 426 D HN 0.400 nan 8.370 nan 0.000 0.432 427 K N 1.645 121.938 120.400 -0.178 0.000 2.379 427 K HA 0.032 4.352 4.320 0.001 0.000 0.284 427 K C -0.306 176.154 176.600 -0.233 0.000 1.044 427 K CA -0.274 55.898 56.287 -0.192 0.000 0.974 427 K CB 0.451 32.893 32.500 -0.096 0.000 0.962 427 K HN 0.188 nan 8.250 nan 0.000 0.474 428 E N 2.773 122.760 120.200 -0.354 0.000 2.349 428 E HA 0.158 4.508 4.350 0.001 0.000 0.262 428 E C -0.436 176.035 176.600 -0.216 0.000 1.088 428 E CA -0.365 55.846 56.400 -0.315 0.000 0.899 428 E CB 0.641 30.056 29.700 -0.476 0.000 1.044 428 E HN 0.393 nan 8.360 nan 0.000 0.420 429 R N 2.427 122.863 120.500 -0.108 0.000 2.438 429 R HA 0.085 4.425 4.340 0.001 0.000 0.287 429 R C -1.710 174.595 176.300 0.009 0.000 1.077 429 R CA -1.362 54.712 56.100 -0.043 0.000 1.034 429 R CB 0.065 30.353 30.300 -0.019 0.000 0.993 429 R HN 0.429 nan 8.270 nan 0.000 0.459 430 P HA -0.252 nan 4.420 nan 0.000 0.214 430 P C 1.141 178.478 177.300 0.060 0.000 1.169 430 P CA 1.380 64.524 63.100 0.073 0.000 0.908 430 P CB 0.068 31.790 31.700 0.036 0.000 0.791 431 R N -0.737 119.778 120.500 0.025 0.000 2.097 431 R HA -0.136 4.205 4.340 0.001 0.000 0.236 431 R C 2.447 178.713 176.300 -0.056 0.000 1.135 431 R CA 2.207 58.309 56.100 0.003 0.000 0.934 431 R CB -1.352 28.988 30.300 0.067 0.000 0.846 431 R HN 0.215 nan 8.270 nan 0.000 0.431 432 G N -0.847 107.929 108.800 -0.040 0.000 2.422 432 G HA2 -0.298 3.662 3.960 0.001 0.000 0.218 432 G HA3 -0.298 3.662 3.960 0.001 0.000 0.218 432 G C 1.194 176.115 174.900 0.035 0.000 1.140 432 G CA 0.535 45.592 45.100 -0.072 0.000 0.775 432 G HN 0.373 nan 8.290 nan 0.000 0.545 433 Y N 2.707 122.970 120.300 -0.062 0.000 2.145 433 Y HA -0.190 4.361 4.550 0.001 0.000 0.286 433 Y C 3.225 179.111 175.900 -0.023 0.000 1.145 433 Y CA 1.969 60.055 58.100 -0.024 0.000 1.148 433 Y CB -0.769 37.689 38.460 -0.003 0.000 0.981 433 Y HN 0.305 nan 8.280 nan 0.000 0.507 434 T N -3.130 111.414 114.554 -0.016 0.000 2.746 434 T HA -0.207 4.143 4.350 0.001 0.000 0.267 434 T C 2.276 176.926 174.700 -0.084 0.000 1.039 434 T CA 1.585 63.617 62.100 -0.114 0.000 1.142 434 T CB -1.116 67.685 68.868 -0.112 0.000 0.866 434 T HN 0.311 nan 8.240 nan 0.000 0.444 435 S N 1.506 117.165 115.700 -0.069 0.000 2.359 435 S HA -0.185 4.285 4.470 0.001 0.000 0.224 435 S C 2.147 176.754 174.600 0.011 0.000 1.035 435 S CA 1.924 60.104 58.200 -0.032 0.000 1.018 435 S CB -0.495 62.534 63.200 -0.285 0.000 0.876 435 S HN 0.546 nan 8.310 nan 0.000 0.448 436 K N 1.240 121.630 120.400 -0.016 0.000 2.026 436 K HA 0.093 4.414 4.320 0.001 0.000 0.208 436 K C 1.936 178.525 176.600 -0.019 0.000 1.048 436 K CA 1.798 58.090 56.287 0.009 0.000 0.929 436 K CB -0.798 31.719 32.500 0.029 0.000 0.713 436 K HN 0.530 nan 8.250 nan 0.000 0.439 437 I N 0.598 121.108 120.570 -0.099 0.000 2.226 437 I HA -0.260 3.910 4.170 0.001 0.000 0.245 437 I C 2.226 178.294 176.117 -0.082 0.000 1.100 437 I CA 1.207 62.431 61.300 -0.127 0.000 1.374 437 I CB -0.418 37.423 38.000 -0.265 0.000 1.057 437 I HN 0.285 nan 8.210 nan 0.000 0.413 438 A N 0.772 123.549 122.820 -0.071 0.000 1.978 438 A HA -0.151 4.169 4.320 0.001 0.000 0.220 438 A C 2.387 179.952 177.584 -0.032 0.000 1.170 438 A CA 1.972 53.970 52.037 -0.066 0.000 0.636 438 A CB -1.268 17.728 19.000 -0.008 0.000 0.810 438 A HN 0.485 nan 8.150 nan 0.000 0.448 439 G N 0.534 109.349 108.800 0.025 0.000 2.396 439 G HA2 -0.071 3.890 3.960 0.001 0.000 0.214 439 G HA3 -0.071 3.890 3.960 0.001 0.000 0.214 439 G C 1.441 176.415 174.900 0.124 0.000 1.166 439 G CA 0.969 46.100 45.100 0.052 0.000 0.793 439 G HN 0.840 nan 8.290 nan 0.000 0.533 440 I N -1.538 119.097 120.570 0.108 0.000 3.428 440 I HA 0.267 4.437 4.170 0.001 0.000 0.286 440 I C 1.963 178.180 176.117 0.167 0.000 1.287 440 I CA 0.251 61.690 61.300 0.230 0.000 1.396 440 I CB -0.108 38.057 38.000 0.275 0.000 1.062 440 I HN -0.006 nan 8.210 nan 0.000 0.471 441 L N 0.845 122.058 121.223 -0.017 0.000 2.456 441 L HA -0.101 4.239 4.340 0.001 0.000 0.224 441 L C 2.347 179.095 176.870 -0.202 0.000 1.148 441 L CA 0.721 55.489 54.840 -0.120 0.000 0.825 441 L CB -0.790 41.132 42.059 -0.229 0.000 0.937 441 L HN 0.413 nan 8.230 nan 0.000 0.450 442 H N -2.005 117.017 119.070 -0.080 0.000 2.535 442 H HA -0.001 4.556 4.556 0.001 0.000 0.273 442 H C 1.080 176.107 175.328 -0.501 0.000 0.983 442 H CA 1.019 56.913 56.048 -0.257 0.000 1.238 442 H CB 0.401 29.946 29.762 -0.363 0.000 1.412 442 H HN 0.385 nan 8.280 nan 0.000 0.562 443 Y N -1.593 118.564 120.300 -0.239 0.000 2.430 443 Y HA 0.160 4.710 4.550 0.001 0.000 0.248 443 Y C -0.240 175.092 175.900 -0.947 0.000 1.108 443 Y CA -0.305 57.417 58.100 -0.630 0.000 1.264 443 Y CB 0.661 38.541 38.460 -0.967 0.000 1.172 443 Y HN -0.064 nan 8.280 nan 0.000 0.520 444 Y N -0.605 119.696 120.300 0.002 0.000 2.553 444 Y HA 0.557 5.107 4.550 0.001 0.000 0.347 444 Y C -2.541 173.345 175.900 -0.024 0.000 1.019 444 Y CA -3.942 54.120 58.100 -0.064 0.000 1.032 444 Y CB 0.589 38.969 38.460 -0.133 0.000 1.284 444 Y HN -0.252 nan 8.280 nan 0.000 0.466 445 P HA 0.111 nan 4.420 nan 0.000 0.268 445 P C 0.823 178.167 177.300 0.073 0.000 1.208 445 P CA 0.002 63.159 63.100 0.095 0.000 0.777 445 P CB 0.798 32.560 31.700 0.104 0.000 0.875 446 L N 1.264 122.509 121.223 0.037 0.000 2.021 446 L HA -0.283 4.057 4.340 0.001 0.000 0.215 446 L C 1.881 178.764 176.870 0.021 0.000 1.074 446 L CA 1.862 56.714 54.840 0.020 0.000 0.760 446 L CB -0.851 41.215 42.059 0.013 0.000 0.889 446 L HN 0.415 nan 8.230 nan 0.000 0.433 447 E N -0.026 120.193 120.200 0.032 0.000 2.268 447 E HA -0.164 4.186 4.350 0.001 0.000 0.195 447 E C 1.798 178.400 176.600 0.003 0.000 0.995 447 E CA 0.858 57.275 56.400 0.027 0.000 0.836 447 E CB -0.077 29.650 29.700 0.044 0.000 0.763 447 E HN 0.530 nan 8.360 nan 0.000 0.491 448 E N -0.095 120.114 120.200 0.015 0.000 2.472 448 E HA -0.019 4.332 4.350 0.001 0.000 0.196 448 E C 1.774 178.327 176.600 -0.078 0.000 1.033 448 E CA 0.407 56.794 56.400 -0.021 0.000 0.886 448 E CB 0.396 30.122 29.700 0.043 0.000 0.944 448 E HN 0.192 nan 8.360 nan 0.000 0.492 449 V N -0.344 119.551 119.914 -0.032 0.000 2.380 449 V HA -0.269 3.851 4.120 0.001 0.000 0.251 449 V C 2.023 178.062 176.094 -0.091 0.000 1.063 449 V CA 1.240 63.519 62.300 -0.036 0.000 1.055 449 V CB -0.538 31.276 31.823 -0.015 0.000 0.657 449 V HN 0.176 nan 8.190 nan 0.000 0.455 450 L N 1.441 122.603 121.223 -0.102 0.000 2.179 450 L HA -0.007 4.334 4.340 0.001 0.000 0.208 450 L C 2.696 179.531 176.870 -0.060 0.000 1.096 450 L CA 2.362 57.179 54.840 -0.039 0.000 0.779 450 L CB -1.119 40.894 42.059 -0.077 0.000 0.922 450 L HN 0.731 nan 8.230 nan 0.000 0.443 451 T N -5.065 109.331 114.554 -0.264 0.000 3.037 451 T HA 0.190 4.540 4.350 0.001 0.000 0.252 451 T C 1.941 176.435 174.700 -0.343 0.000 1.073 451 T CA 0.479 62.254 62.100 -0.542 0.000 1.091 451 T CB -0.188 68.334 68.868 -0.577 0.000 0.935 451 T HN 0.116 nan 8.240 nan 0.000 0.488 452 A N 2.741 125.344 122.820 -0.361 0.000 1.879 452 A HA -0.273 4.047 4.320 0.001 0.000 0.222 452 A C 1.904 179.226 177.584 -0.437 0.000 1.368 452 A CA 2.177 53.853 52.037 -0.601 0.000 0.707 452 A CB -1.121 16.979 19.000 -1.500 0.000 0.846 452 A HN 0.671 nan 8.150 nan 0.000 0.468 453 E N -2.630 117.341 120.200 -0.380 0.000 2.320 453 E HA 0.178 4.528 4.350 0.001 0.000 0.189 453 E C 0.244 176.766 176.600 -0.130 0.000 1.100 453 E CA -0.064 56.228 56.400 -0.180 0.000 1.009 453 E CB 0.009 29.633 29.700 -0.127 0.000 1.145 453 E HN 0.752 nan 8.360 nan 0.000 0.454 454 Y N -0.673 119.517 120.300 -0.183 0.000 2.921 454 Y HA 0.216 4.766 4.550 0.001 0.000 0.246 454 Y C 0.409 176.208 175.900 -0.169 0.000 1.030 454 Y CA -0.096 57.911 58.100 -0.155 0.000 1.338 454 Y CB 0.734 39.081 38.460 -0.188 0.000 1.493 454 Y HN -0.118 nan 8.280 nan 0.000 0.452 455 L N 2.250 123.445 121.223 -0.046 0.000 2.326 455 L HA 0.292 4.633 4.340 0.001 0.000 0.278 455 L C -0.789 176.057 176.870 -0.040 0.000 1.092 455 L CA -0.221 54.569 54.840 -0.084 0.000 0.810 455 L CB 0.862 42.806 42.059 -0.191 0.000 1.153 455 L HN 0.041 nan 8.230 nan 0.000 0.439 456 L N 2.609 123.800 121.223 -0.052 0.000 2.343 456 L HA 0.338 4.679 4.340 0.001 0.000 0.275 456 L C 0.680 177.592 176.870 0.071 0.000 1.056 456 L CA -0.369 54.468 54.840 -0.005 0.000 0.804 456 L CB 1.619 43.531 42.059 -0.244 0.000 1.203 456 L HN 0.689 nan 8.230 nan 0.000 0.440 457 E N 1.193 121.523 120.200 0.216 0.000 2.645 457 E HA 0.102 4.452 4.350 0.001 0.000 0.198 457 E C -0.283 176.502 176.600 0.308 0.000 1.091 457 E CA 0.095 56.607 56.400 0.187 0.000 1.096 457 E CB 0.306 30.051 29.700 0.076 0.000 2.013 457 E HN 0.657 nan 8.360 nan 0.000 0.537 458 E N 0.991 121.316 120.200 0.209 0.000 2.191 458 E HA 0.276 4.626 4.350 0.001 0.000 0.274 458 E C -0.938 175.519 176.600 -0.239 0.000 0.948 458 E CA -0.680 55.761 56.400 0.068 0.000 0.802 458 E CB 1.477 31.171 29.700 -0.010 0.000 1.137 458 E HN -0.081 nan 8.360 nan 0.000 0.397 459 F N 3.106 122.650 119.950 -0.677 0.000 2.445 459 F HA 0.243 4.771 4.527 0.001 0.000 0.359 459 F C -0.158 175.295 175.800 -0.578 0.000 1.101 459 F CA -0.849 56.473 58.000 -1.130 0.000 1.177 459 F CB 0.520 39.016 39.000 -0.840 0.000 1.110 459 F HN 0.348 nan 8.300 nan 0.000 0.522 460 R N 8.499 128.432 120.500 -0.945 0.000 2.477 460 R HA 0.201 4.542 4.340 0.001 0.000 0.285 460 R C -1.998 173.759 176.300 -0.906 0.000 1.415 460 R CA -1.608 54.056 56.100 -0.727 0.000 1.446 460 R CB 0.566 30.598 30.300 -0.448 0.000 1.110 460 R HN 0.436 nan 8.270 nan 0.000 0.590 461 P HA -0.213 nan 4.420 nan 0.000 0.217 461 P C 0.667 177.673 177.300 -0.491 0.000 1.148 461 P CA 1.338 63.922 63.100 -0.859 0.000 0.828 461 P CB 0.320 31.635 31.700 -0.642 0.000 0.783 462 D N 0.473 120.633 120.400 -0.400 0.000 2.144 462 D HA -0.148 4.493 4.640 0.001 0.000 0.200 462 D C 2.152 178.271 176.300 -0.302 0.000 0.978 462 D CA 0.954 54.782 54.000 -0.286 0.000 0.833 462 D CB -1.127 39.535 40.800 -0.229 0.000 0.961 462 D HN 0.236 nan 8.370 nan 0.000 0.470 463 L N 0.067 121.061 121.223 -0.382 0.000 2.109 463 L HA -0.020 4.320 4.340 0.001 0.000 0.207 463 L C 2.836 179.505 176.870 -0.335 0.000 1.086 463 L CA 0.501 55.085 54.840 -0.427 0.000 0.760 463 L CB -0.271 41.444 42.059 -0.573 0.000 0.910 463 L HN -0.047 nan 8.230 nan 0.000 0.437 464 I N -0.056 120.304 120.570 -0.349 0.000 2.179 464 I HA -0.280 3.891 4.170 0.001 0.000 0.242 464 I C 2.380 178.381 176.117 -0.192 0.000 1.088 464 I CA 1.421 62.563 61.300 -0.263 0.000 1.357 464 I CB -0.235 37.526 38.000 -0.400 0.000 1.051 464 I HN 0.282 nan 8.210 nan 0.000 0.409 465 E N 0.258 120.333 120.200 -0.207 0.000 2.153 465 E HA -0.249 4.101 4.350 0.001 0.000 0.194 465 E C 2.186 178.703 176.600 -0.140 0.000 0.988 465 E CA 1.070 57.379 56.400 -0.151 0.000 0.811 465 E CB -0.136 29.478 29.700 -0.143 0.000 0.746 465 E HN 0.383 nan 8.360 nan 0.000 0.466 466 M N 0.880 120.383 119.600 -0.161 0.000 2.117 466 M HA -0.130 4.350 4.480 0.001 0.000 0.262 466 M C 2.123 178.350 176.300 -0.121 0.000 1.065 466 M CA 1.453 56.672 55.300 -0.135 0.000 1.114 466 M CB -0.160 32.342 32.600 -0.163 0.000 1.361 466 M HN 0.019 nan 8.290 nan 0.000 0.408 467 V N 0.721 120.551 119.914 -0.141 0.000 2.323 467 V HA -0.238 3.882 4.120 0.001 0.000 0.244 467 V C 2.497 178.463 176.094 -0.214 0.000 1.041 467 V CA 1.206 63.420 62.300 -0.143 0.000 1.025 467 V CB -1.005 30.743 31.823 -0.126 0.000 0.656 467 V HN 0.445 nan 8.190 nan 0.000 0.451 468 L N 0.925 122.026 121.223 -0.203 0.000 2.127 468 L HA -0.199 4.142 4.340 0.001 0.000 0.211 468 L C 1.951 178.709 176.870 -0.186 0.000 1.089 468 L CA 2.228 56.936 54.840 -0.219 0.000 0.757 468 L CB -0.820 41.157 42.059 -0.136 0.000 0.899 468 L HN 0.430 nan 8.230 nan 0.000 0.434 469 D N -1.366 118.953 120.400 -0.136 0.000 2.350 469 D HA -0.136 4.505 4.640 0.001 0.000 0.216 469 D C 1.719 177.966 176.300 -0.088 0.000 0.968 469 D CA 0.701 54.644 54.000 -0.095 0.000 0.894 469 D CB 0.184 40.941 40.800 -0.071 0.000 0.909 469 D HN 0.190 nan 8.370 nan 0.000 0.520 470 K N -0.316 120.007 120.400 -0.127 0.000 2.356 470 K HA 0.135 4.456 4.320 0.001 0.000 0.195 470 K C 0.570 177.062 176.600 -0.181 0.000 1.037 470 K CA 0.086 56.319 56.287 -0.089 0.000 1.014 470 K CB 0.349 32.814 32.500 -0.059 0.000 0.815 470 K HN 0.277 nan 8.250 nan 0.000 0.507 471 L N 2.725 123.703 121.223 -0.409 0.000 2.423 471 L HA 0.208 4.549 4.340 0.001 0.000 0.249 471 L C -0.030 176.662 176.870 -0.298 0.000 1.276 471 L CA -0.048 54.260 54.840 -0.887 0.000 1.199 471 L CB -0.394 41.096 42.059 -0.949 0.000 1.407 471 L HN -0.111 nan 8.230 nan 0.000 0.410 472 R N 0.871 121.410 120.500 0.066 0.000 2.854 472 R HA 0.383 4.723 4.340 0.001 0.000 0.271 472 R C -1.844 174.685 176.300 0.382 0.000 0.994 472 R CA -1.786 54.443 56.100 0.215 0.000 0.945 472 R CB 1.585 31.926 30.300 0.068 0.000 1.194 472 R HN -0.136 nan 8.270 nan 0.000 0.476 473 P HA -0.265 nan 4.420 nan 0.000 0.216 473 P C 0.825 178.256 177.300 0.218 0.000 1.153 473 P CA 1.341 64.471 63.100 0.050 0.000 0.858 473 P CB 0.201 31.807 31.700 -0.156 0.000 0.789 474 E N 0.410 120.690 120.200 0.133 0.000 2.401 474 E HA -0.200 4.151 4.350 0.001 0.000 0.199 474 E C 0.701 177.394 176.600 0.155 0.000 1.023 474 E CA 1.375 57.847 56.400 0.119 0.000 0.859 474 E CB -1.308 28.434 29.700 0.070 0.000 0.780 474 E HN 0.549 nan 8.360 nan 0.000 0.523 475 N N -0.044 118.799 118.700 0.237 0.000 2.351 475 N HA 0.163 4.903 4.740 0.001 0.000 0.254 475 N C -0.690 174.987 175.510 0.279 0.000 1.241 475 N CA -0.415 52.779 53.050 0.240 0.000 0.883 475 N CB 1.237 39.862 38.487 0.229 0.000 1.202 475 N HN -0.060 nan 8.380 nan 0.000 0.512 476 V N 0.817 120.864 119.914 0.221 0.000 2.716 476 V HA 0.497 4.618 4.120 0.001 0.000 0.304 476 V C -0.509 175.573 176.094 -0.020 0.000 1.053 476 V CA -0.548 61.730 62.300 -0.036 0.000 0.984 476 V CB 1.441 33.295 31.823 0.052 0.000 1.021 476 V HN 0.328 nan 8.190 nan 0.000 0.467 477 R N 3.541 123.967 120.500 -0.124 0.000 2.561 477 R HA 0.734 5.074 4.340 0.001 0.000 0.297 477 R C -1.767 174.532 176.300 -0.001 0.000 0.969 477 R CA -0.565 55.523 56.100 -0.019 0.000 0.879 477 R CB 2.316 32.563 30.300 -0.088 0.000 1.178 477 R HN 0.550 nan 8.270 nan 0.000 0.445 478 V N 1.817 121.797 119.914 0.110 0.000 2.540 478 V HA 0.767 4.888 4.120 0.001 0.000 0.302 478 V C -0.627 175.605 176.094 0.231 0.000 1.035 478 V CA -0.816 61.559 62.300 0.125 0.000 0.873 478 V CB 1.816 33.722 31.823 0.137 0.000 0.992 478 V HN 0.905 nan 8.190 nan 0.000 0.428 479 A N 5.841 128.797 122.820 0.227 0.000 2.374 479 A HA 0.922 5.243 4.320 0.001 0.000 0.305 479 A C -1.014 176.738 177.584 0.281 0.000 1.053 479 A CA -0.479 51.725 52.037 0.279 0.000 0.726 479 A CB 1.077 20.204 19.000 0.212 0.000 1.229 479 A HN 0.759 nan 8.150 nan 0.000 0.431 480 I N 2.516 123.252 120.570 0.277 0.000 2.406 480 I HA 0.434 4.604 4.170 0.001 0.000 0.290 480 I C -0.787 175.577 176.117 0.412 0.000 0.999 480 I CA -0.972 60.517 61.300 0.316 0.000 1.124 480 I CB 2.039 40.272 38.000 0.387 0.000 1.289 480 I HN 0.297 nan 8.210 nan 0.000 0.441 481 V N 4.851 124.954 119.914 0.316 0.000 2.384 481 V HA 0.649 4.770 4.120 0.001 0.000 0.287 481 V C -0.125 176.061 176.094 0.154 0.000 1.020 481 V CA -0.242 62.230 62.300 0.285 0.000 0.850 481 V CB 1.470 33.455 31.823 0.270 0.000 0.987 481 V HN 0.823 nan 8.190 nan 0.000 0.436 482 S N 3.618 119.386 115.700 0.113 0.000 2.556 482 S HA 0.336 4.806 4.470 0.001 0.000 0.280 482 S C 0.292 174.821 174.600 -0.118 0.000 1.141 482 S CA -0.729 57.400 58.200 -0.118 0.000 0.883 482 S CB 1.760 64.713 63.200 -0.411 0.000 1.103 482 S HN 0.593 nan 8.310 nan 0.000 0.453 483 K N 1.847 122.193 120.400 -0.090 0.000 2.362 483 K HA -0.037 4.283 4.320 0.001 0.000 0.200 483 K C 2.049 178.596 176.600 -0.088 0.000 1.046 483 K CA 1.428 57.688 56.287 -0.045 0.000 0.952 483 K CB -0.537 31.945 32.500 -0.031 0.000 0.753 483 K HN 0.767 nan 8.250 nan 0.000 0.466 484 S N -0.158 115.401 115.700 -0.235 0.000 2.500 484 S HA -0.058 4.412 4.470 0.001 0.000 0.239 484 S C 1.646 176.143 174.600 -0.172 0.000 0.989 484 S CA 0.596 58.642 58.200 -0.257 0.000 0.951 484 S CB -0.553 62.411 63.200 -0.394 0.000 0.759 484 S HN 0.284 nan 8.310 nan 0.000 0.523 485 F N 1.531 121.495 119.950 0.024 0.000 2.765 485 F HA 0.314 4.841 4.527 0.001 0.000 0.302 485 F C 1.338 177.152 175.800 0.022 0.000 1.111 485 F CA -0.513 57.502 58.000 0.025 0.000 1.359 485 F CB 0.105 39.131 39.000 0.043 0.000 1.097 485 F HN 0.255 nan 8.300 nan 0.000 0.577 486 E N 0.819 121.114 120.200 0.159 0.000 2.415 486 E HA 0.113 4.463 4.350 0.001 0.000 0.263 486 E C 1.184 177.832 176.600 0.080 0.000 0.995 486 E CA 0.844 57.306 56.400 0.103 0.000 0.915 486 E CB 0.581 30.316 29.700 0.059 0.000 0.951 486 E HN 0.487 nan 8.360 nan 0.000 0.449 487 G N 4.350 113.187 108.800 0.061 0.000 2.184 487 G HA2 -0.314 3.646 3.960 0.001 0.000 0.264 487 G HA3 -0.314 3.646 3.960 0.001 0.000 0.264 487 G C 0.622 175.546 174.900 0.040 0.000 0.975 487 G CA 0.709 45.832 45.100 0.039 0.000 0.642 487 G HN 0.614 nan 8.290 nan 0.000 0.536 488 K N 0.381 120.820 120.400 0.065 0.000 2.438 488 K HA 0.231 4.551 4.320 0.001 0.000 0.205 488 K C 0.881 177.484 176.600 0.005 0.000 1.033 488 K CA 0.624 56.942 56.287 0.052 0.000 1.089 488 K CB 0.915 33.484 32.500 0.115 0.000 0.857 488 K HN 0.522 nan 8.250 nan 0.000 0.522 489 T N -0.959 113.593 114.554 -0.003 0.000 2.943 489 T HA 0.262 4.612 4.350 0.001 0.000 0.284 489 T C 0.195 174.840 174.700 -0.091 0.000 1.015 489 T CA -0.709 61.354 62.100 -0.062 0.000 1.042 489 T CB 1.593 70.444 68.868 -0.029 0.000 1.055 489 T HN 0.072 nan 8.240 nan 0.000 0.500 490 D N -0.865 119.440 120.400 -0.159 0.000 2.539 490 D HA 0.192 4.832 4.640 0.001 0.000 0.232 490 D C 0.269 176.445 176.300 -0.206 0.000 1.256 490 D CA -0.512 53.398 54.000 -0.150 0.000 0.810 490 D CB 0.275 40.998 40.800 -0.127 0.000 1.090 490 D HN 0.512 nan 8.370 nan 0.000 0.519 491 R N -0.760 119.538 120.500 -0.336 0.000 2.837 491 R HA 0.788 5.128 4.340 0.001 0.000 0.271 491 R C -1.021 175.123 176.300 -0.259 0.000 0.993 491 R CA -0.748 55.108 56.100 -0.408 0.000 0.931 491 R CB 2.196 32.013 30.300 -0.805 0.000 1.206 491 R HN -0.158 nan 8.270 nan 0.000 0.474 492 T N 0.886 115.407 114.554 -0.055 0.000 2.879 492 T HA 0.125 4.476 4.350 0.001 0.000 0.290 492 T C -1.016 173.792 174.700 0.180 0.000 0.993 492 T CA -0.710 61.446 62.100 0.092 0.000 0.975 492 T CB 1.704 70.580 68.868 0.014 0.000 0.981 492 T HN 0.354 nan 8.240 nan 0.000 0.439 493 E N 3.027 123.380 120.200 0.255 0.000 2.299 493 E HA 0.016 4.366 4.350 0.001 0.000 0.272 493 E C 1.280 177.895 176.600 0.025 0.000 1.043 493 E CA -0.041 56.451 56.400 0.153 0.000 0.895 493 E CB 0.815 30.577 29.700 0.103 0.000 1.011 493 E HN 0.896 nan 8.360 nan 0.000 0.432 494 E N 3.972 124.100 120.200 -0.119 0.000 2.085 494 E HA -0.218 4.133 4.350 0.001 0.000 0.194 494 E C 1.203 177.540 176.600 -0.439 0.000 0.994 494 E CA 1.370 57.556 56.400 -0.357 0.000 0.801 494 E CB -0.316 29.024 29.700 -0.600 0.000 0.743 494 E HN 0.645 nan 8.360 nan 0.000 0.453 495 W N -0.712 120.517 121.300 -0.119 0.000 2.476 495 W HA 0.017 4.677 4.660 0.001 0.000 0.281 495 W C 1.448 177.796 176.519 -0.284 0.000 1.230 495 W CA 0.233 57.381 57.345 -0.328 0.000 1.287 495 W CB 0.009 29.114 29.460 -0.591 0.000 1.108 495 W HN 0.113 nan 8.180 nan 0.000 0.567 496 Y N -1.297 119.065 120.300 0.103 0.000 2.444 496 Y HA 0.334 4.884 4.550 0.001 0.000 0.252 496 Y C 1.950 177.866 175.900 0.026 0.000 1.091 496 Y CA 0.418 58.566 58.100 0.080 0.000 1.276 496 Y CB 0.359 38.883 38.460 0.106 0.000 1.170 496 Y HN -0.009 nan 8.280 nan 0.000 0.517 497 G N 0.474 109.363 108.800 0.148 0.000 2.141 497 G HA2 -0.284 3.676 3.960 0.001 0.000 0.242 497 G HA3 -0.284 3.676 3.960 0.001 0.000 0.242 497 G C 0.184 175.153 174.900 0.114 0.000 0.982 497 G CA 0.256 45.405 45.100 0.080 0.000 0.662 497 G HN 0.217 nan 8.290 nan 0.000 0.527 498 T N 2.315 116.961 114.554 0.153 0.000 2.866 498 T HA 0.314 4.664 4.350 0.001 0.000 0.293 498 T C 0.431 175.267 174.700 0.228 0.000 1.005 498 T CA 0.425 62.613 62.100 0.147 0.000 1.162 498 T CB 0.901 69.814 68.868 0.076 0.000 0.968 498 T HN 0.324 nan 8.240 nan 0.000 0.530 499 Q N 2.917 122.832 119.800 0.191 0.000 2.279 499 Q HA 0.448 4.788 4.340 0.001 0.000 0.256 499 Q C -0.397 175.771 176.000 0.280 0.000 0.937 499 Q CA -0.343 55.569 55.803 0.182 0.000 0.933 499 Q CB 1.057 29.858 28.738 0.104 0.000 1.189 499 Q HN 0.852 nan 8.270 nan 0.000 0.417 500 Y N -1.113 119.203 120.300 0.027 0.000 2.764 500 Y HA 0.690 5.240 4.550 0.001 0.000 0.331 500 Y C -1.514 174.382 175.900 -0.007 0.000 1.280 500 Y CA -1.403 56.709 58.100 0.020 0.000 1.065 500 Y CB 1.494 39.983 38.460 0.047 0.000 1.319 500 Y HN 0.417 nan 8.280 nan 0.000 0.453 501 K N 1.420 121.779 120.400 -0.068 0.000 2.498 501 K HA 0.417 4.737 4.320 0.001 0.000 0.254 501 K C -1.953 174.618 176.600 -0.048 0.000 0.933 501 K CA -0.712 55.453 56.287 -0.205 0.000 0.806 501 K CB 2.600 34.979 32.500 -0.202 0.000 1.301 501 K HN 0.937 nan 8.250 nan 0.000 0.432 502 Q N 2.976 122.711 119.800 -0.109 0.000 2.333 502 Q HA 0.326 4.667 4.340 0.001 0.000 0.267 502 Q C -1.437 174.435 176.000 -0.214 0.000 1.012 502 Q CA -0.460 55.245 55.803 -0.164 0.000 0.824 502 Q CB 1.691 30.410 28.738 -0.031 0.000 1.290 502 Q HN 0.633 nan 8.270 nan 0.000 0.449 503 E N 1.363 121.391 120.200 -0.286 0.000 2.383 503 E HA 0.618 4.968 4.350 0.001 0.000 0.275 503 E C -1.520 174.954 176.600 -0.210 0.000 0.918 503 E CA -1.036 55.242 56.400 -0.204 0.000 0.764 503 E CB 1.956 31.557 29.700 -0.166 0.000 1.252 503 E HN 0.703 nan 8.360 nan 0.000 0.449 504 A N 2.278 125.011 122.820 -0.146 0.000 2.354 504 A HA 0.447 4.767 4.320 0.001 0.000 0.269 504 A C -0.050 177.472 177.584 -0.104 0.000 1.109 504 A CA -0.414 51.551 52.037 -0.119 0.000 0.800 504 A CB 0.079 19.025 19.000 -0.090 0.000 1.045 504 A HN 0.568 nan 8.150 nan 0.000 0.489 505 I N 2.934 123.455 120.570 -0.082 0.000 2.471 505 I HA 0.152 4.323 4.170 0.001 0.000 0.286 505 I C -1.920 174.127 176.117 -0.116 0.000 1.079 505 I CA -1.519 59.729 61.300 -0.086 0.000 1.398 505 I CB 0.861 38.841 38.000 -0.034 0.000 1.403 505 I HN 0.441 nan 8.210 nan 0.000 0.530 506 P HA -0.032 nan 4.420 nan 0.000 0.264 506 P C 0.294 177.496 177.300 -0.163 0.000 1.183 506 P CA 0.029 63.046 63.100 -0.139 0.000 0.763 506 P CB 0.500 32.115 31.700 -0.142 0.000 0.807 507 D N 2.213 122.542 120.400 -0.120 0.000 2.182 507 D HA -0.179 4.462 4.640 0.001 0.000 0.201 507 D C 1.263 177.479 176.300 -0.139 0.000 0.986 507 D CA 1.197 55.130 54.000 -0.111 0.000 0.847 507 D CB 0.229 40.983 40.800 -0.075 0.000 0.942 507 D HN 0.495 nan 8.370 nan 0.000 0.467 508 E N 0.380 120.493 120.200 -0.144 0.000 2.274 508 E HA -0.071 4.279 4.350 0.001 0.000 0.194 508 E C 2.355 178.815 176.600 -0.234 0.000 0.996 508 E CA 0.157 56.468 56.400 -0.148 0.000 0.840 508 E CB 0.150 29.782 29.700 -0.114 0.000 0.772 508 E HN 0.207 nan 8.360 nan 0.000 0.491 509 V N 1.545 121.256 119.914 -0.339 0.000 2.346 509 V HA -0.181 3.939 4.120 0.001 0.000 0.244 509 V C 2.319 177.916 176.094 -0.828 0.000 1.037 509 V CA 0.876 62.799 62.300 -0.628 0.000 1.029 509 V CB -0.251 31.146 31.823 -0.710 0.000 0.663 509 V HN 0.185 nan 8.190 nan 0.000 0.454 510 I N 0.478 120.737 120.570 -0.517 0.000 2.163 510 I HA -0.269 3.901 4.170 0.001 0.000 0.243 510 I C 2.438 178.466 176.117 -0.148 0.000 1.085 510 I CA 1.886 63.034 61.300 -0.253 0.000 1.347 510 I CB -1.156 36.786 38.000 -0.095 0.000 1.044 510 I HN 0.368 nan 8.210 nan 0.000 0.408 511 K N 1.212 121.523 120.400 -0.148 0.000 2.097 511 K HA -0.195 4.126 4.320 0.001 0.000 0.206 511 K C 2.122 178.682 176.600 -0.066 0.000 1.049 511 K CA 1.424 57.659 56.287 -0.086 0.000 0.933 511 K CB 0.059 32.512 32.500 -0.077 0.000 0.717 511 K HN 0.205 nan 8.250 nan 0.000 0.442 512 K N -0.654 119.676 120.400 -0.117 0.000 2.097 512 K HA -0.132 4.188 4.320 0.001 0.000 0.205 512 K C 1.873 178.534 176.600 0.102 0.000 1.050 512 K CA 1.229 57.493 56.287 -0.040 0.000 0.938 512 K CB -0.049 32.397 32.500 -0.089 0.000 0.718 512 K HN 0.262 nan 8.250 nan 0.000 0.442 513 W N 1.820 123.091 121.300 -0.048 0.000 2.388 513 W HA -0.062 4.598 4.660 0.001 0.000 0.294 513 W C 1.858 178.228 176.519 -0.249 0.000 1.212 513 W CA 0.593 57.867 57.345 -0.119 0.000 1.271 513 W CB -0.753 28.566 29.460 -0.234 0.000 1.126 513 W HN 0.215 nan 8.180 nan 0.000 0.535 514 Q N -0.282 119.518 119.800 0.001 0.000 2.226 514 Q HA -0.120 4.220 4.340 0.001 0.000 0.204 514 Q C 1.257 177.255 176.000 -0.003 0.000 0.975 514 Q CA 0.916 56.683 55.803 -0.059 0.000 0.866 514 Q CB -0.377 28.335 28.738 -0.043 0.000 0.915 514 Q HN 0.224 nan 8.270 nan 0.000 0.440 515 N N 0.453 119.172 118.700 0.033 0.000 2.313 515 N HA 0.130 4.871 4.740 0.001 0.000 0.207 515 N C -0.649 174.907 175.510 0.077 0.000 1.141 515 N CA 0.013 53.090 53.050 0.044 0.000 0.830 515 N CB 0.417 38.925 38.487 0.036 0.000 1.008 515 N HN 0.097 nan 8.380 nan 0.000 0.481 516 A N 1.841 124.725 122.820 0.107 0.000 2.537 516 A HA 0.035 4.355 4.320 0.001 0.000 0.260 516 A C 0.506 178.157 177.584 0.113 0.000 1.082 516 A CA -0.162 51.964 52.037 0.148 0.000 0.765 516 A CB -0.071 19.061 19.000 0.220 0.000 1.019 516 A HN 0.314 nan 8.150 nan 0.000 0.507 517 D N 2.237 122.697 120.400 0.100 0.000 2.511 517 D HA 0.446 5.086 4.640 0.001 0.000 0.276 517 D C -0.043 176.314 176.300 0.096 0.000 1.220 517 D CA -0.727 53.322 54.000 0.080 0.000 1.077 517 D CB 0.128 40.965 40.800 0.062 0.000 1.126 517 D HN 0.359 nan 8.370 nan 0.000 0.583 518 L N 0.209 121.480 121.223 0.080 0.000 2.349 518 L HA 0.235 4.575 4.340 0.001 0.000 0.275 518 L C 0.523 177.449 176.870 0.093 0.000 1.115 518 L CA -0.521 54.378 54.840 0.098 0.000 0.820 518 L CB 0.256 42.358 42.059 0.071 0.000 1.135 518 L HN 0.402 nan 8.230 nan 0.000 0.445 519 N N 1.585 120.369 118.700 0.139 0.000 2.444 519 N HA 0.171 4.911 4.740 0.001 0.000 0.262 519 N C 0.840 176.342 175.510 -0.013 0.000 0.974 519 N CA -0.160 52.909 53.050 0.031 0.000 0.933 519 N CB 2.091 40.560 38.487 -0.030 0.000 1.137 519 N HN 0.723 nan 8.380 nan 0.000 0.498 520 G N 3.032 111.809 108.800 -0.038 0.000 2.516 520 G HA2 -0.222 3.739 3.960 0.001 0.000 0.221 520 G HA3 -0.222 3.739 3.960 0.001 0.000 0.221 520 G C 1.295 176.156 174.900 -0.064 0.000 1.107 520 G CA 0.624 45.707 45.100 -0.028 0.000 0.747 520 G HN 0.533 nan 8.290 nan 0.000 0.567 521 K N -0.233 120.048 120.400 -0.197 0.000 2.366 521 K HA 0.090 4.410 4.320 0.001 0.000 0.198 521 K C 0.019 176.513 176.600 -0.177 0.000 1.044 521 K CA 0.042 56.175 56.287 -0.257 0.000 0.973 521 K CB -0.009 32.233 32.500 -0.429 0.000 0.767 521 K HN 0.416 nan 8.250 nan 0.000 0.475 522 F N 1.762 121.782 119.950 0.117 0.000 2.405 522 F HA 0.225 4.752 4.527 0.001 0.000 0.355 522 F C 0.436 176.295 175.800 0.097 0.000 1.121 522 F CA -0.714 57.385 58.000 0.165 0.000 1.112 522 F CB 1.026 40.158 39.000 0.220 0.000 1.126 522 F HN -0.344 nan 8.300 nan 0.000 0.481 523 K N 3.546 124.141 120.400 0.325 0.000 2.443 523 K HA 0.578 4.899 4.320 0.001 0.000 0.251 523 K C -1.051 175.657 176.600 0.180 0.000 0.972 523 K CA -1.023 55.376 56.287 0.187 0.000 0.833 523 K CB 2.621 35.207 32.500 0.144 0.000 1.317 523 K HN 0.461 nan 8.250 nan 0.000 0.441 524 L N 2.271 123.575 121.223 0.134 0.000 2.464 524 L HA 0.265 4.605 4.340 0.001 0.000 0.264 524 L C -2.007 174.949 176.870 0.144 0.000 1.199 524 L CA -1.735 53.187 54.840 0.138 0.000 0.818 524 L CB 0.165 42.346 42.059 0.204 0.000 1.102 524 L HN 0.337 nan 8.230 nan 0.000 0.473 525 P HA 0.060 nan 4.420 nan 0.000 0.269 525 P C -0.660 176.814 177.300 0.291 0.000 1.215 525 P CA -0.314 62.783 63.100 -0.005 0.000 0.780 525 P CB 0.444 31.921 31.700 -0.370 0.000 0.898 526 T N -1.161 113.528 114.554 0.225 0.000 2.847 526 T HA 0.367 4.717 4.350 0.001 0.000 0.279 526 T C 0.137 174.992 174.700 0.259 0.000 0.984 526 T CA -0.994 61.213 62.100 0.178 0.000 0.988 526 T CB 0.524 69.451 68.868 0.098 0.000 1.040 526 T HN 0.087 nan 8.240 nan 0.000 0.528 527 K N 1.877 122.310 120.400 0.055 0.000 2.511 527 K HA 0.008 4.329 4.320 0.001 0.000 0.280 527 K C 0.275 176.990 176.600 0.191 0.000 1.008 527 K CA 0.051 56.415 56.287 0.128 0.000 1.050 527 K CB -0.106 32.352 32.500 -0.070 0.000 0.889 527 K HN 0.641 nan 8.250 nan 0.000 0.484 528 N N 3.821 122.682 118.700 0.268 0.000 2.438 528 N HA -0.050 4.691 4.740 0.001 0.000 0.267 528 N C -0.283 175.303 175.510 0.127 0.000 1.222 528 N CA 0.336 53.520 53.050 0.223 0.000 0.930 528 N CB 0.599 39.236 38.487 0.249 0.000 1.083 528 N HN 0.560 nan 8.380 nan 0.000 0.476 529 E N 3.002 123.231 120.200 0.049 0.000 2.479 529 E HA -0.009 4.342 4.350 0.001 0.000 0.193 529 E C 0.344 176.825 176.600 -0.199 0.000 1.049 529 E CA 0.129 56.472 56.400 -0.095 0.000 0.870 529 E CB 0.093 29.681 29.700 -0.186 0.000 0.944 529 E HN 0.629 nan 8.360 nan 0.000 0.492 530 F N 0.688 120.637 119.950 -0.002 0.000 2.765 530 F HA 0.199 4.726 4.527 0.001 0.000 0.302 530 F C 1.094 176.903 175.800 0.014 0.000 1.111 530 F CA -0.242 57.750 58.000 -0.015 0.000 1.359 530 F CB 0.348 39.318 39.000 -0.049 0.000 1.097 530 F HN -0.143 nan 8.300 nan 0.000 0.577 531 I N 4.167 124.834 120.570 0.162 0.000 2.821 531 I HA -0.052 4.118 4.170 0.001 0.000 0.294 531 I C -1.839 174.306 176.117 0.047 0.000 1.210 531 I CA -1.393 59.979 61.300 0.120 0.000 1.430 531 I CB 0.094 38.154 38.000 0.100 0.000 1.356 531 I HN -0.166 nan 8.210 nan 0.000 0.563 532 P HA 0.097 nan 4.420 nan 0.000 0.275 532 P C 0.150 177.237 177.300 -0.354 0.000 1.227 532 P CA -0.189 62.791 63.100 -0.201 0.000 0.781 532 P CB 1.302 32.818 31.700 -0.307 0.000 0.906 533 T N -2.157 112.077 114.554 -0.532 0.000 2.980 533 T HA 0.091 4.441 4.350 0.001 0.000 0.252 533 T C 0.631 174.901 174.700 -0.716 0.000 0.962 533 T CA 0.024 61.845 62.100 -0.466 0.000 0.932 533 T CB -0.351 68.412 68.868 -0.176 0.000 1.188 533 T HN 0.282 nan 8.240 nan 0.000 0.500 534 N N 0.987 119.255 118.700 -0.720 0.000 2.437 534 N HA 0.345 5.086 4.740 0.001 0.000 0.243 534 N C -1.065 174.047 175.510 -0.662 0.000 1.041 534 N CA -1.149 51.601 53.050 -0.500 0.000 0.940 534 N CB 0.191 38.525 38.487 -0.254 0.000 1.133 534 N HN 0.338 nan 8.380 nan 0.000 0.506 535 F N 0.871 120.778 119.950 -0.073 0.000 2.735 535 F HA 0.179 4.707 4.527 0.001 0.000 0.304 535 F C 0.744 176.493 175.800 -0.085 0.000 1.119 535 F CA -0.721 57.186 58.000 -0.155 0.000 1.280 535 F CB 0.143 39.032 39.000 -0.185 0.000 0.994 535 F HN 0.405 nan 8.300 nan 0.000 0.520 536 E N 1.485 121.727 120.200 0.071 0.000 2.384 536 E HA 0.156 4.506 4.350 0.001 0.000 0.266 536 E C -0.230 176.412 176.600 0.069 0.000 1.012 536 E CA -0.356 56.089 56.400 0.075 0.000 0.901 536 E CB 1.109 30.837 29.700 0.047 0.000 0.967 536 E HN 0.049 nan 8.360 nan 0.000 0.435 537 I N 3.998 124.623 120.570 0.092 0.000 2.291 537 I HA 0.085 4.255 4.170 0.001 0.000 0.292 537 I C -0.100 176.081 176.117 0.106 0.000 1.064 537 I CA -0.898 60.473 61.300 0.118 0.000 1.269 537 I CB 0.028 38.130 38.000 0.169 0.000 1.418 537 I HN 0.568 nan 8.210 nan 0.000 0.485 538 L N 9.678 130.961 121.223 0.101 0.000 2.525 538 L HA 0.128 4.468 4.340 0.001 0.000 0.278 538 L C -1.568 175.367 176.870 0.109 0.000 1.218 538 L CA -0.815 54.079 54.840 0.090 0.000 0.878 538 L CB -0.717 41.395 42.059 0.088 0.000 1.127 538 L HN 0.409 nan 8.230 nan 0.000 0.492 539 P HA -0.006 nan 4.420 nan 0.000 0.268 539 P C -0.362 176.997 177.300 0.098 0.000 1.205 539 P CA -0.708 62.436 63.100 0.073 0.000 0.771 539 P CB 0.664 32.389 31.700 0.041 0.000 0.858 540 L N 3.083 124.374 121.223 0.114 0.000 2.559 540 L HA -0.018 4.323 4.340 0.001 0.000 0.274 540 L C 0.935 177.858 176.870 0.089 0.000 1.205 540 L CA 0.682 55.597 54.840 0.124 0.000 0.907 540 L CB -0.806 41.332 42.059 0.131 0.000 1.153 540 L HN 0.385 nan 8.230 nan 0.000 0.490 541 E N 3.774 124.034 120.200 0.100 0.000 2.404 541 E HA -0.035 4.315 4.350 0.001 0.000 0.261 541 E C 0.804 177.441 176.600 0.062 0.000 1.074 541 E CA 0.079 56.529 56.400 0.083 0.000 0.917 541 E CB 0.667 30.431 29.700 0.108 0.000 0.965 541 E HN 0.572 nan 8.360 nan 0.000 0.433 542 K N 1.204 121.632 120.400 0.046 0.000 2.209 542 K HA -0.178 4.142 4.320 0.001 0.000 0.204 542 K C 0.513 177.134 176.600 0.035 0.000 1.048 542 K CA 1.492 57.799 56.287 0.034 0.000 0.940 542 K CB 0.050 32.565 32.500 0.024 0.000 0.729 542 K HN 0.285 nan 8.250 nan 0.000 0.451 543 E N 1.047 121.274 120.200 0.046 0.000 2.451 543 E HA 0.280 4.631 4.350 0.001 0.000 0.194 543 E C -0.203 176.434 176.600 0.062 0.000 1.027 543 E CA -0.047 56.381 56.400 0.047 0.000 0.914 543 E CB 0.576 30.303 29.700 0.045 0.000 1.054 543 E HN 0.416 nan 8.360 nan 0.000 0.461 544 A N 1.377 124.236 122.820 0.064 0.000 2.520 544 A HA 0.374 4.694 4.320 0.001 0.000 0.235 544 A C 0.667 178.251 177.584 -0.000 0.000 1.065 544 A CA 0.217 52.287 52.037 0.054 0.000 0.764 544 A CB -0.014 19.015 19.000 0.047 0.000 1.002 544 A HN 0.286 nan 8.150 nan 0.000 0.502 545 T N -0.070 114.456 114.554 -0.047 0.000 2.885 545 T HA 0.662 5.012 4.350 0.001 0.000 0.285 545 T C -1.804 172.789 174.700 -0.177 0.000 1.019 545 T CA -1.440 60.607 62.100 -0.087 0.000 1.010 545 T CB 1.874 70.704 68.868 -0.063 0.000 1.022 545 T HN 0.434 nan 8.240 nan 0.000 0.466 546 P HA 0.035 nan 4.420 nan 0.000 0.222 546 P C -0.420 176.559 177.300 -0.536 0.000 1.153 546 P CA 0.786 63.654 63.100 -0.386 0.000 0.798 546 P CB 0.054 31.471 31.700 -0.473 0.000 0.796 547 Y N -0.773 119.358 120.300 -0.281 0.000 2.630 547 Y HA 0.511 5.061 4.550 0.001 0.000 0.337 547 Y C -2.148 173.310 175.900 -0.736 0.000 1.051 547 Y CA -3.260 54.488 58.100 -0.586 0.000 1.121 547 Y CB -0.101 38.110 38.460 -0.416 0.000 1.299 547 Y HN -0.298 nan 8.280 nan 0.000 0.498 548 P HA 0.238 nan 4.420 nan 0.000 0.268 548 P C -1.274 175.896 177.300 -0.216 0.000 1.205 548 P CA 0.139 62.803 63.100 -0.727 0.000 0.771 548 P CB 0.533 31.618 31.700 -1.024 0.000 0.858 549 A N 3.333 126.167 122.820 0.023 0.000 2.350 549 A HA 0.537 4.857 4.320 0.001 0.000 0.324 549 A C -0.902 176.767 177.584 0.142 0.000 1.118 549 A CA -0.705 51.425 52.037 0.156 0.000 0.783 549 A CB 0.625 19.683 19.000 0.097 0.000 1.236 549 A HN 0.545 nan 8.150 nan 0.000 0.457 550 L N 4.063 125.243 121.223 -0.072 0.000 2.363 550 L HA 0.336 4.676 4.340 0.001 0.000 0.286 550 L C 0.762 177.482 176.870 -0.249 0.000 1.106 550 L CA 0.173 54.694 54.840 -0.532 0.000 0.859 550 L CB -0.232 41.326 42.059 -0.835 0.000 1.223 550 L HN 0.668 nan 8.230 nan 0.000 0.446 551 I N 0.753 121.224 120.570 -0.165 0.000 3.860 551 I HA 0.316 4.486 4.170 0.001 0.000 0.319 551 I C 0.399 176.442 176.117 -0.123 0.000 1.279 551 I CA -0.156 61.087 61.300 -0.095 0.000 1.220 551 I CB -0.131 37.843 38.000 -0.043 0.000 1.027 551 I HN 0.525 nan 8.210 nan 0.000 0.428 552 K N 1.456 121.752 120.400 -0.174 0.000 2.535 552 K HA 0.313 4.634 4.320 0.001 0.000 0.251 552 K C -1.841 174.654 176.600 -0.174 0.000 0.942 552 K CA -0.471 55.736 56.287 -0.134 0.000 0.798 552 K CB 2.013 34.460 32.500 -0.088 0.000 1.267 552 K HN 0.012 nan 8.250 nan 0.000 0.434 553 D N 3.010 123.337 120.400 -0.121 0.000 2.586 553 D HA 0.154 4.794 4.640 0.001 0.000 0.254 553 D C -1.064 175.211 176.300 -0.042 0.000 1.248 553 D CA -0.077 53.858 54.000 -0.108 0.000 0.843 553 D CB 0.868 41.576 40.800 -0.153 0.000 1.332 553 D HN 0.568 nan 8.370 nan 0.000 0.523 554 T N -2.119 112.438 114.554 0.006 0.000 2.905 554 T HA 0.728 5.078 4.350 0.001 0.000 0.283 554 T C 1.435 176.182 174.700 0.079 0.000 1.031 554 T CA -0.181 61.935 62.100 0.028 0.000 1.002 554 T CB 1.482 70.369 68.868 0.031 0.000 1.200 554 T HN -0.008 nan 8.240 nan 0.000 0.560 555 A N 0.321 123.177 122.820 0.060 0.000 1.930 555 A HA 0.049 4.369 4.320 0.001 0.000 0.217 555 A C 2.208 179.917 177.584 0.207 0.000 1.175 555 A CA 1.821 53.896 52.037 0.063 0.000 0.627 555 A CB -0.992 18.024 19.000 0.027 0.000 0.815 555 A HN 0.837 nan 8.150 nan 0.000 0.443 556 M N 0.148 119.856 119.600 0.180 0.000 2.132 556 M HA -0.002 4.478 4.480 0.001 0.000 0.263 556 M C 0.532 176.960 176.300 0.214 0.000 1.065 556 M CA 1.641 57.064 55.300 0.204 0.000 1.122 556 M CB -0.188 32.486 32.600 0.124 0.000 1.365 556 M HN 0.482 nan 8.290 nan 0.000 0.411 557 S N -1.179 114.616 115.700 0.159 0.000 2.547 557 S HA 0.504 4.974 4.470 0.001 0.000 0.270 557 S C -0.991 173.643 174.600 0.057 0.000 1.150 557 S CA -1.213 57.005 58.200 0.031 0.000 0.850 557 S CB 1.607 64.824 63.200 0.029 0.000 1.118 557 S HN 0.262 nan 8.310 nan 0.000 0.461 558 K N 1.276 121.677 120.400 0.002 0.000 2.483 558 K HA 0.584 4.905 4.320 0.001 0.000 0.256 558 K C -1.807 174.740 176.600 -0.088 0.000 0.961 558 K CA -0.846 55.422 56.287 -0.032 0.000 0.873 558 K CB 1.075 33.639 32.500 0.106 0.000 1.107 558 K HN 0.618 nan 8.250 nan 0.000 0.432 559 L N 5.815 126.919 121.223 -0.199 0.000 2.280 559 L HA 0.514 4.854 4.340 0.001 0.000 0.287 559 L C -1.742 174.999 176.870 -0.215 0.000 1.023 559 L CA -0.206 54.563 54.840 -0.118 0.000 0.819 559 L CB 0.415 42.444 42.059 -0.049 0.000 1.212 559 L HN 0.552 nan 8.230 nan 0.000 0.420 560 W N 5.735 127.105 121.300 0.116 0.000 2.417 560 W HA 0.550 5.210 4.660 0.001 0.000 0.317 560 W C -0.630 175.966 176.519 0.127 0.000 1.121 560 W CA -0.234 57.178 57.345 0.113 0.000 1.208 560 W CB 1.308 30.857 29.460 0.147 0.000 1.253 560 W HN 0.440 nan 8.180 nan 0.000 0.533 561 F N 3.565 123.590 119.950 0.124 0.000 2.588 561 F HA 0.641 5.169 4.527 0.001 0.000 0.310 561 F C -1.150 174.633 175.800 -0.029 0.000 1.082 561 F CA -1.477 56.547 58.000 0.040 0.000 0.929 561 F CB 1.678 40.687 39.000 0.015 0.000 1.254 561 F HN 0.257 nan 8.300 nan 0.000 0.455 562 K N 5.045 124.661 120.400 -1.306 0.000 2.571 562 K HA 0.183 4.503 4.320 0.001 0.000 0.252 562 K C -1.846 174.194 176.600 -0.933 0.000 0.956 562 K CA -0.613 54.986 56.287 -1.148 0.000 0.822 562 K CB 1.964 34.002 32.500 -0.769 0.000 1.286 562 K HN 0.929 nan 8.250 nan 0.000 0.439 563 Q N 3.343 122.682 119.800 -0.769 0.000 2.288 563 Q HA 0.065 4.406 4.340 0.001 0.000 0.258 563 Q C -0.670 175.305 176.000 -0.042 0.000 0.957 563 Q CA -0.342 55.352 55.803 -0.182 0.000 0.919 563 Q CB 1.004 29.784 28.738 0.071 0.000 1.185 563 Q HN 0.569 nan 8.270 nan 0.000 0.408 564 D N 3.048 123.459 120.400 0.018 0.000 2.531 564 D HA -0.121 4.520 4.640 0.001 0.000 0.239 564 D C -0.479 175.669 176.300 -0.254 0.000 1.144 564 D CA 0.497 54.459 54.000 -0.064 0.000 0.869 564 D CB 0.653 41.353 40.800 -0.166 0.000 1.160 564 D HN 0.631 nan 8.370 nan 0.000 0.484 565 D N 2.233 122.440 120.400 -0.322 0.000 2.650 565 D HA 0.148 4.789 4.640 0.001 0.000 0.265 565 D C 0.345 176.330 176.300 -0.525 0.000 1.339 565 D CA -0.332 53.469 54.000 -0.332 0.000 0.816 565 D CB 0.212 40.953 40.800 -0.099 0.000 1.091 565 D HN 0.412 nan 8.370 nan 0.000 0.483 566 K N -1.063 118.745 120.400 -0.987 0.000 2.770 566 K HA 0.216 4.536 4.320 0.001 0.000 0.195 566 K C 0.798 176.799 176.600 -0.999 0.000 1.515 566 K CA 0.032 55.767 56.287 -0.920 0.000 1.199 566 K CB 0.316 32.139 32.500 -1.128 0.000 1.681 566 K HN -0.062 nan 8.250 nan 0.000 0.586 567 F N 0.551 120.185 119.950 -0.528 0.000 2.446 567 F HA 0.223 4.751 4.527 0.001 0.000 0.292 567 F C 0.039 175.745 175.800 -0.155 0.000 1.096 567 F CA 0.083 57.924 58.000 -0.265 0.000 1.438 567 F CB -0.041 38.833 39.000 -0.210 0.000 1.107 567 F HN -0.139 nan 8.300 nan 0.000 0.546 568 F N 1.238 121.261 119.950 0.122 0.000 3.004 568 F HA -0.235 4.292 4.527 0.001 0.000 0.264 568 F C -0.312 175.547 175.800 0.098 0.000 0.979 568 F CA -0.250 57.799 58.000 0.082 0.000 0.896 568 F CB -2.078 36.952 39.000 0.050 0.000 0.813 568 F HN -0.116 nan 8.300 nan 0.000 0.804 569 L N 2.033 123.347 121.223 0.152 0.000 2.333 569 L HA 0.477 4.817 4.340 0.001 0.000 0.269 569 L C -1.657 175.216 176.870 0.005 0.000 1.010 569 L CA -2.067 52.833 54.840 0.100 0.000 0.818 569 L CB 1.666 43.781 42.059 0.093 0.000 1.306 569 L HN -0.284 nan 8.230 nan 0.000 0.430 570 P HA 0.078 nan 4.420 nan 0.000 0.232 570 P C -1.015 176.315 177.300 0.051 0.000 1.738 570 P CA 0.240 63.308 63.100 -0.053 0.000 0.948 570 P CB -0.224 31.384 31.700 -0.154 0.000 1.943 571 K N 0.566 120.967 120.400 0.001 0.000 2.444 571 K HA 0.861 5.182 4.320 0.001 0.000 0.252 571 K C -0.865 175.700 176.600 -0.059 0.000 0.993 571 K CA -0.983 55.281 56.287 -0.037 0.000 0.847 571 K CB 2.756 35.185 32.500 -0.117 0.000 1.340 571 K HN 0.041 nan 8.250 nan 0.000 0.446 572 A N 0.506 123.285 122.820 -0.069 0.000 2.606 572 A HA 0.643 4.964 4.320 0.001 0.000 0.293 572 A C -1.570 175.969 177.584 -0.076 0.000 1.082 572 A CA -0.669 51.329 52.037 -0.064 0.000 0.685 572 A CB 1.276 20.278 19.000 0.004 0.000 1.284 572 A HN 0.714 nan 8.150 nan 0.000 0.408 573 C N 1.452 120.707 119.300 -0.076 0.000 2.340 573 C HA 0.660 5.120 4.460 0.001 0.000 0.323 573 C C -0.424 174.529 174.990 -0.061 0.000 1.260 573 C CA -0.428 58.542 59.018 -0.080 0.000 1.464 573 C CB -0.216 27.462 27.740 -0.103 0.000 2.156 573 C HN 0.636 nan 8.230 nan 0.000 0.476 574 L N 4.481 125.668 121.223 -0.060 0.000 2.318 574 L HA 0.453 4.794 4.340 0.001 0.000 0.277 574 L C -0.246 176.505 176.870 -0.198 0.000 1.008 574 L CA -0.035 54.758 54.840 -0.077 0.000 0.846 574 L CB 0.288 42.457 42.059 0.183 0.000 1.220 574 L HN 0.705 nan 8.230 nan 0.000 0.423 575 N N 3.460 121.845 118.700 -0.524 0.000 2.408 575 N HA 0.634 5.375 4.740 0.001 0.000 0.280 575 N C -1.438 173.649 175.510 -0.706 0.000 1.002 575 N CA -0.533 52.091 53.050 -0.709 0.000 0.907 575 N CB 1.690 39.300 38.487 -1.462 0.000 1.161 575 N HN 0.241 nan 8.380 nan 0.000 0.488 576 F N 0.837 120.661 119.950 -0.210 0.000 2.529 576 F HA 0.274 4.801 4.527 0.001 0.000 0.320 576 F C 0.129 175.924 175.800 -0.008 0.000 1.118 576 F CA -0.866 57.055 58.000 -0.132 0.000 0.915 576 F CB 1.852 40.644 39.000 -0.347 0.000 1.161 576 F HN 0.318 nan 8.300 nan 0.000 0.445 577 E N 2.904 123.212 120.200 0.179 0.000 2.129 577 E HA 0.494 4.844 4.350 0.001 0.000 0.268 577 E C -1.729 174.683 176.600 -0.314 0.000 0.900 577 E CA -0.483 55.954 56.400 0.061 0.000 0.755 577 E CB 0.587 30.293 29.700 0.009 0.000 1.117 577 E HN 0.315 nan 8.360 nan 0.000 0.410 578 F N 4.914 124.848 119.950 -0.028 0.000 2.385 578 F HA 0.418 4.946 4.527 0.001 0.000 0.360 578 F C -0.334 175.442 175.800 -0.040 0.000 1.122 578 F CA -0.652 57.371 58.000 0.038 0.000 1.090 578 F CB 0.546 39.614 39.000 0.113 0.000 1.150 578 F HN 0.348 nan 8.300 nan 0.000 0.472 579 F N 1.965 122.130 119.950 0.358 0.000 2.394 579 F HA 0.539 5.066 4.527 0.001 0.000 0.340 579 F C 0.458 176.453 175.800 0.325 0.000 1.105 579 F CA -0.425 57.771 58.000 0.326 0.000 1.124 579 F CB 1.625 40.791 39.000 0.278 0.000 1.145 579 F HN 0.368 nan 8.300 nan 0.000 0.505 580 S N 3.993 119.987 115.700 0.490 0.000 2.582 580 S HA 0.326 4.797 4.470 0.001 0.000 0.287 580 S C -2.207 172.642 174.600 0.415 0.000 1.146 580 S CA -1.079 57.380 58.200 0.432 0.000 0.941 580 S CB 1.630 65.069 63.200 0.399 0.000 1.115 580 S HN 0.325 nan 8.310 nan 0.000 0.458 581 P HA 0.062 nan 4.420 nan 0.000 0.226 581 P C 0.822 178.174 177.300 0.086 0.000 1.153 581 P CA 0.718 63.920 63.100 0.170 0.000 0.777 581 P CB -0.173 31.521 31.700 -0.010 0.000 0.794 582 F N 0.103 120.217 119.950 0.274 0.000 2.804 582 F HA 0.226 4.753 4.527 0.001 0.000 0.303 582 F C 2.292 178.418 175.800 0.542 0.000 1.154 582 F CA 0.305 58.505 58.000 0.333 0.000 1.401 582 F CB -0.680 38.496 39.000 0.292 0.000 1.106 582 F HN -0.023 nan 8.300 nan 0.000 0.568 583 A N -1.713 121.468 122.820 0.602 0.000 2.095 583 A HA -0.013 4.308 4.320 0.001 0.000 0.212 583 A C 1.234 179.197 177.584 0.631 0.000 1.162 583 A CA 0.773 53.182 52.037 0.620 0.000 0.753 583 A CB -0.376 18.926 19.000 0.504 0.000 0.840 583 A HN 0.495 nan 8.150 nan 0.000 0.468 584 Y N -1.927 118.612 120.300 0.397 0.000 2.767 584 Y HA 0.218 4.769 4.550 0.001 0.000 0.254 584 Y C 1.449 177.655 175.900 0.510 0.000 1.133 584 Y CA 0.078 58.449 58.100 0.452 0.000 1.225 584 Y CB 0.821 39.521 38.460 0.401 0.000 1.312 584 Y HN 0.016 nan 8.280 nan 0.000 0.560 585 V N 1.088 121.196 119.914 0.323 0.000 2.370 585 V HA -0.204 3.916 4.120 0.001 0.000 0.252 585 V C 0.223 176.404 176.094 0.145 0.000 1.068 585 V CA 2.613 64.995 62.300 0.136 0.000 1.061 585 V CB -0.208 31.484 31.823 -0.219 0.000 0.656 585 V HN 0.669 nan 8.190 nan 0.000 0.455 586 D N -4.425 115.924 120.400 -0.086 0.000 2.639 586 D HA 0.302 4.942 4.640 0.001 0.000 0.271 586 D C -2.383 173.345 176.300 -0.953 0.000 1.254 586 D CA -1.455 52.135 54.000 -0.684 0.000 0.810 586 D CB 0.644 41.194 40.800 -0.417 0.000 1.351 586 D HN -0.137 nan 8.370 nan 0.000 0.427 587 P HA -0.151 nan 4.420 nan 0.000 0.216 587 P C 1.744 178.847 177.300 -0.328 0.000 1.157 587 P CA 1.159 63.783 63.100 -0.795 0.000 0.880 587 P CB 0.121 31.455 31.700 -0.611 0.000 0.791 588 L N -1.175 119.909 121.223 -0.232 0.000 2.042 588 L HA -0.213 4.128 4.340 0.001 0.000 0.210 588 L C 2.285 179.065 176.870 -0.151 0.000 1.076 588 L CA 2.023 56.790 54.840 -0.122 0.000 0.749 588 L CB -1.341 40.681 42.059 -0.062 0.000 0.893 588 L HN 0.142 nan 8.230 nan 0.000 0.432 589 H N -2.260 116.726 119.070 -0.140 0.000 2.462 589 H HA -0.135 4.422 4.556 0.001 0.000 0.292 589 H C 2.368 177.679 175.328 -0.030 0.000 1.049 589 H CA 1.309 57.306 56.048 -0.085 0.000 1.334 589 H CB -0.138 29.728 29.762 0.173 0.000 1.404 589 H HN 0.571 nan 8.280 nan 0.000 0.544 590 C N 1.486 120.852 119.300 0.110 0.000 2.453 590 C HA -0.083 4.378 4.460 0.001 0.000 0.277 590 C C 2.459 177.549 174.990 0.166 0.000 1.262 590 C CA 0.715 59.868 59.018 0.225 0.000 1.718 590 C CB -0.683 27.182 27.740 0.209 0.000 2.031 590 C HN 0.513 nan 8.230 nan 0.000 0.480 591 N N 0.829 119.581 118.700 0.087 0.000 2.104 591 N HA -0.100 4.641 4.740 0.001 0.000 0.190 591 N C 1.774 177.298 175.510 0.023 0.000 1.024 591 N CA 1.776 54.914 53.050 0.146 0.000 0.853 591 N CB -0.523 38.071 38.487 0.178 0.000 1.008 591 N HN 0.596 nan 8.380 nan 0.000 0.424 592 M N 0.186 119.660 119.600 -0.210 0.000 2.175 592 M HA 0.003 4.483 4.480 0.001 0.000 0.264 592 M C 2.215 178.361 176.300 -0.256 0.000 1.063 592 M CA 1.023 56.054 55.300 -0.449 0.000 1.119 592 M CB -0.267 31.599 32.600 -1.224 0.000 1.377 592 M HN 0.111 nan 8.290 nan 0.000 0.415 593 A N -0.168 122.601 122.820 -0.085 0.000 1.902 593 A HA -0.223 4.097 4.320 0.001 0.000 0.217 593 A C 2.024 179.784 177.584 0.293 0.000 1.181 593 A CA 1.513 53.796 52.037 0.409 0.000 0.623 593 A CB -1.056 18.239 19.000 0.493 0.000 0.818 593 A HN 0.564 nan 8.150 nan 0.000 0.443 594 Y N -0.103 120.231 120.300 0.056 0.000 2.089 594 Y HA -0.163 4.387 4.550 0.001 0.000 0.282 594 Y C 1.994 177.827 175.900 -0.111 0.000 1.139 594 Y CA 1.782 59.839 58.100 -0.072 0.000 1.123 594 Y CB -0.436 37.872 38.460 -0.254 0.000 0.980 594 Y HN 0.185 nan 8.280 nan 0.000 0.493 595 L N -0.145 121.024 121.223 -0.090 0.000 2.043 595 L HA -0.248 4.092 4.340 0.001 0.000 0.212 595 L C 2.354 179.250 176.870 0.043 0.000 1.075 595 L CA 2.013 56.814 54.840 -0.066 0.000 0.752 595 L CB -1.835 40.293 42.059 0.114 0.000 0.891 595 L HN 0.524 nan 8.230 nan 0.000 0.432 596 Y N -0.637 119.674 120.300 0.017 0.000 2.097 596 Y HA -0.264 4.286 4.550 0.001 0.000 0.282 596 Y C 2.310 178.148 175.900 -0.103 0.000 1.152 596 Y CA 1.570 59.717 58.100 0.077 0.000 1.136 596 Y CB -0.624 37.972 38.460 0.226 0.000 0.975 596 Y HN 0.092 nan 8.280 nan 0.000 0.498 597 L N 0.747 121.717 121.223 -0.423 0.000 2.093 597 L HA -0.122 4.218 4.340 0.001 0.000 0.208 597 L C 2.437 179.038 176.870 -0.448 0.000 1.085 597 L CA 1.939 56.426 54.840 -0.588 0.000 0.755 597 L CB -1.367 40.466 42.059 -0.376 0.000 0.904 597 L HN 0.261 nan 8.230 nan 0.000 0.435 598 E N -0.478 119.455 120.200 -0.445 0.000 2.106 598 E HA -0.149 4.202 4.350 0.001 0.000 0.192 598 E C 2.265 178.738 176.600 -0.212 0.000 0.984 598 E CA 1.096 57.257 56.400 -0.398 0.000 0.806 598 E CB -0.197 29.142 29.700 -0.601 0.000 0.750 598 E HN 0.399 nan 8.360 nan 0.000 0.458 599 L N -0.338 120.807 121.223 -0.131 0.000 2.156 599 L HA -0.087 4.253 4.340 0.001 0.000 0.208 599 L C 2.239 179.048 176.870 -0.101 0.000 1.095 599 L CA 0.412 55.284 54.840 0.053 0.000 0.770 599 L CB -0.261 42.005 42.059 0.344 0.000 0.914 599 L HN 0.225 nan 8.230 nan 0.000 0.439 600 L N -0.112 120.774 121.223 -0.562 0.000 2.056 600 L HA -0.193 4.148 4.340 0.001 0.000 0.207 600 L C 2.436 179.108 176.870 -0.331 0.000 1.078 600 L CA 1.817 56.142 54.840 -0.859 0.000 0.749 600 L CB -0.418 41.042 42.059 -0.999 0.000 0.901 600 L HN 0.073 nan 8.230 nan 0.000 0.433 601 K N -0.647 119.623 120.400 -0.217 0.000 2.097 601 K HA -0.216 4.104 4.320 0.001 0.000 0.205 601 K C 1.827 178.421 176.600 -0.010 0.000 1.050 601 K CA 1.633 57.890 56.287 -0.050 0.000 0.938 601 K CB -0.294 32.157 32.500 -0.082 0.000 0.718 601 K HN 0.459 nan 8.250 nan 0.000 0.442 602 D N 0.486 120.869 120.400 -0.028 0.000 2.144 602 D HA -0.138 4.503 4.640 0.001 0.000 0.199 602 D C 1.889 178.227 176.300 0.064 0.000 0.984 602 D CA 1.531 55.543 54.000 0.020 0.000 0.834 602 D CB 0.137 40.955 40.800 0.030 0.000 0.955 602 D HN 0.147 nan 8.370 nan 0.000 0.465 603 S N -0.862 114.895 115.700 0.094 0.000 2.470 603 S HA 0.023 4.493 4.470 0.001 0.000 0.225 603 S C 1.906 176.569 174.600 0.106 0.000 1.006 603 S CA 0.092 58.375 58.200 0.139 0.000 0.934 603 S CB -0.243 63.133 63.200 0.292 0.000 0.778 603 S HN 0.334 nan 8.310 nan 0.000 0.517 604 L N 1.458 122.731 121.223 0.083 0.000 2.529 604 L HA 0.168 4.508 4.340 0.001 0.000 0.223 604 L C 2.621 179.610 176.870 0.198 0.000 1.113 604 L CA 0.148 55.060 54.840 0.121 0.000 0.861 604 L CB -0.511 41.596 42.059 0.079 0.000 1.012 604 L HN 0.481 nan 8.230 nan 0.000 0.461 605 N N 0.902 119.688 118.700 0.144 0.000 2.037 605 N HA -0.270 4.471 4.740 0.001 0.000 0.196 605 N C 1.495 177.101 175.510 0.160 0.000 1.034 605 N CA 1.866 54.995 53.050 0.131 0.000 0.861 605 N CB 0.118 38.642 38.487 0.062 0.000 1.039 605 N HN 0.431 nan 8.380 nan 0.000 0.427 606 E N -0.611 119.680 120.200 0.152 0.000 2.070 606 E HA -0.246 4.104 4.350 0.001 0.000 0.197 606 E C 1.915 178.670 176.600 0.258 0.000 1.004 606 E CA 1.369 57.874 56.400 0.175 0.000 0.805 606 E CB -0.348 29.448 29.700 0.159 0.000 0.744 606 E HN 0.513 nan 8.360 nan 0.000 0.451 607 Y N 1.024 121.410 120.300 0.143 0.000 2.145 607 Y HA -0.190 4.360 4.550 0.001 0.000 0.286 607 Y C 2.217 178.209 175.900 0.153 0.000 1.145 607 Y CA 1.584 59.789 58.100 0.176 0.000 1.148 607 Y CB -0.304 38.239 38.460 0.139 0.000 0.981 607 Y HN -0.017 nan 8.280 nan 0.000 0.507 608 A N -0.963 121.945 122.820 0.148 0.000 2.014 608 A HA -0.169 4.151 4.320 0.001 0.000 0.218 608 A C 2.024 179.563 177.584 -0.076 0.000 1.163 608 A CA 1.164 53.185 52.037 -0.025 0.000 0.652 608 A CB -1.403 17.742 19.000 0.242 0.000 0.808 608 A HN 0.707 nan 8.150 nan 0.000 0.449 609 Y N 0.879 121.128 120.300 -0.084 0.000 2.128 609 Y HA -0.212 4.338 4.550 0.001 0.000 0.284 609 Y C 2.656 178.477 175.900 -0.133 0.000 1.154 609 Y CA 1.287 59.314 58.100 -0.122 0.000 1.149 609 Y CB -0.593 37.785 38.460 -0.136 0.000 0.976 609 Y HN 0.324 nan 8.280 nan 0.000 0.505 610 A N 0.245 123.037 122.820 -0.047 0.000 1.883 610 A HA -0.168 4.153 4.320 0.001 0.000 0.217 610 A C 2.470 179.965 177.584 -0.149 0.000 1.186 610 A CA 2.190 54.224 52.037 -0.006 0.000 0.624 610 A CB -1.567 17.569 19.000 0.226 0.000 0.822 610 A HN 0.597 nan 8.150 nan 0.000 0.444 611 A N -0.320 122.202 122.820 -0.497 0.000 1.883 611 A HA -0.204 4.117 4.320 0.001 0.000 0.217 611 A C 1.970 179.343 177.584 -0.351 0.000 1.186 611 A CA 2.272 53.843 52.037 -0.776 0.000 0.624 611 A CB -0.611 17.581 19.000 -1.347 0.000 0.822 611 A HN 0.583 nan 8.150 nan 0.000 0.444 612 E N 0.206 120.206 120.200 -0.333 0.000 2.070 612 E HA -0.183 4.167 4.350 0.001 0.000 0.197 612 E C 1.820 178.268 176.600 -0.253 0.000 1.004 612 E CA 1.587 57.822 56.400 -0.276 0.000 0.805 612 E CB -0.446 29.062 29.700 -0.320 0.000 0.744 612 E HN 0.595 nan 8.360 nan 0.000 0.451 613 L N -0.286 120.740 121.223 -0.327 0.000 2.131 613 L HA -0.103 4.237 4.340 0.001 0.000 0.210 613 L C 1.940 178.788 176.870 -0.037 0.000 1.092 613 L CA 0.989 55.706 54.840 -0.206 0.000 0.759 613 L CB -0.398 41.546 42.059 -0.192 0.000 0.903 613 L HN 0.182 nan 8.230 nan 0.000 0.435 614 A N -0.235 122.590 122.820 0.009 0.000 2.359 614 A HA 0.383 4.704 4.320 0.001 0.000 0.240 614 A C 1.560 179.286 177.584 0.237 0.000 1.306 614 A CA 0.486 52.611 52.037 0.147 0.000 0.898 614 A CB -0.709 18.409 19.000 0.197 0.000 0.956 614 A HN 0.496 nan 8.150 nan 0.000 0.497 615 G N -0.933 107.925 108.800 0.096 0.000 2.179 615 G HA2 -0.217 3.743 3.960 0.001 0.000 0.257 615 G HA3 -0.217 3.743 3.960 0.001 0.000 0.257 615 G C 0.011 174.848 174.900 -0.104 0.000 1.010 615 G CA 0.516 45.608 45.100 -0.013 0.000 0.736 615 G HN 0.747 nan 8.290 nan 0.000 0.513 616 L N 1.101 122.283 121.223 -0.067 0.000 2.316 616 L HA 0.706 5.047 4.340 0.001 0.000 0.280 616 L C 0.011 176.804 176.870 -0.128 0.000 1.006 616 L CA -0.418 54.368 54.840 -0.090 0.000 0.836 616 L CB 1.570 43.575 42.059 -0.090 0.000 1.221 616 L HN 0.207 nan 8.230 nan 0.000 0.418 617 S N 3.828 119.472 115.700 -0.094 0.000 2.638 617 S HA 0.776 5.247 4.470 0.001 0.000 0.302 617 S C -1.314 173.305 174.600 0.032 0.000 1.096 617 S CA -0.396 57.764 58.200 -0.068 0.000 0.953 617 S CB 1.661 64.792 63.200 -0.116 0.000 1.107 617 S HN 0.521 nan 8.310 nan 0.000 0.503 618 Y N 0.533 120.759 120.300 -0.123 0.000 2.581 618 Y HA 0.763 5.314 4.550 0.001 0.000 0.337 618 Y C -1.720 174.118 175.900 -0.103 0.000 1.108 618 Y CA -0.979 57.053 58.100 -0.114 0.000 1.033 618 Y CB 1.299 39.693 38.460 -0.111 0.000 1.318 618 Y HN 0.557 nan 8.280 nan 0.000 0.459 619 D N 2.639 122.959 120.400 -0.133 0.000 2.787 619 D HA 0.520 5.160 4.640 0.001 0.000 0.246 619 D C -2.227 174.030 176.300 -0.073 0.000 1.150 619 D CA -0.248 53.634 54.000 -0.196 0.000 0.864 619 D CB 2.120 42.882 40.800 -0.062 0.000 1.481 619 D HN 0.734 nan 8.370 nan 0.000 0.509 620 L N 4.156 125.348 121.223 -0.052 0.000 2.404 620 L HA 0.512 4.852 4.340 0.001 0.000 0.272 620 L C -1.530 175.345 176.870 0.009 0.000 0.980 620 L CA -0.152 54.694 54.840 0.010 0.000 0.836 620 L CB 1.313 43.413 42.059 0.068 0.000 1.238 620 L HN 0.581 nan 8.230 nan 0.000 0.408 621 Q N 2.442 122.305 119.800 0.104 0.000 2.418 621 Q HA 0.468 4.808 4.340 0.001 0.000 0.282 621 Q C -1.401 174.708 176.000 0.182 0.000 1.044 621 Q CA -0.976 54.901 55.803 0.124 0.000 0.813 621 Q CB 1.671 30.515 28.738 0.177 0.000 1.428 621 Q HN 0.742 nan 8.270 nan 0.000 0.402 622 N N 0.205 119.009 118.700 0.173 0.000 2.503 622 N HA 0.452 5.192 4.740 0.001 0.000 0.267 622 N C -0.438 175.196 175.510 0.207 0.000 1.214 622 N CA -0.049 53.135 53.050 0.222 0.000 0.959 622 N CB 1.438 40.087 38.487 0.270 0.000 1.142 622 N HN 0.810 nan 8.380 nan 0.000 0.455 623 T N -2.650 112.015 114.554 0.185 0.000 2.858 623 T HA 0.308 4.659 4.350 0.001 0.000 0.285 623 T C 1.132 175.806 174.700 -0.043 0.000 1.052 623 T CA -1.005 61.136 62.100 0.068 0.000 1.009 623 T CB 0.569 69.484 68.868 0.079 0.000 1.241 623 T HN 0.635 nan 8.240 nan 0.000 0.542 624 I N -2.015 118.343 120.570 -0.354 0.000 3.176 624 I HA 0.164 4.334 4.170 0.001 0.000 0.275 624 I C 0.871 176.725 176.117 -0.439 0.000 1.298 624 I CA 0.642 61.477 61.300 -0.775 0.000 1.445 624 I CB -0.526 36.794 38.000 -1.134 0.000 1.075 624 I HN 0.601 nan 8.210 nan 0.000 0.482 625 Y N 1.173 121.508 120.300 0.059 0.000 2.500 625 Y HA 0.532 5.082 4.550 0.001 0.000 0.246 625 Y C 1.475 177.490 175.900 0.191 0.000 1.146 625 Y CA -0.077 58.107 58.100 0.140 0.000 1.230 625 Y CB 1.144 39.692 38.460 0.146 0.000 1.214 625 Y HN 0.347 nan 8.280 nan 0.000 0.526 626 G N 0.269 109.245 108.800 0.294 0.000 2.251 626 G HA2 0.097 4.057 3.960 0.001 0.000 0.058 626 G HA3 0.097 4.057 3.960 0.001 0.000 0.058 626 G C -1.065 174.005 174.900 0.283 0.000 0.922 626 G CA -0.755 44.527 45.100 0.304 0.000 1.133 626 G HN -0.077 nan 8.290 nan 0.000 0.410 627 M N 0.023 119.802 119.600 0.297 0.000 2.572 627 M HA 0.607 5.087 4.480 0.001 0.000 0.299 627 M C -1.665 174.907 176.300 0.454 0.000 1.205 627 M CA -0.732 54.763 55.300 0.325 0.000 0.876 627 M CB 3.024 35.760 32.600 0.227 0.000 1.728 627 M HN 0.571 nan 8.290 nan 0.000 0.458 628 Y N 2.773 123.233 120.300 0.266 0.000 2.376 628 Y HA 0.746 5.296 4.550 0.001 0.000 0.340 628 Y C -2.049 174.023 175.900 0.286 0.000 0.965 628 Y CA -1.073 57.202 58.100 0.292 0.000 1.078 628 Y CB 1.274 39.872 38.460 0.231 0.000 1.193 628 Y HN 0.656 nan 8.280 nan 0.000 0.452 629 L N 5.897 126.961 121.223 -0.265 0.000 2.409 629 L HA 0.618 4.958 4.340 0.001 0.000 0.272 629 L C -1.425 175.194 176.870 -0.418 0.000 0.980 629 L CA -0.336 54.373 54.840 -0.217 0.000 0.826 629 L CB 1.923 44.101 42.059 0.198 0.000 1.268 629 L HN 0.725 nan 8.230 nan 0.000 0.407 630 S N 3.626 119.094 115.700 -0.387 0.000 2.672 630 S HA 0.677 5.147 4.470 0.001 0.000 0.291 630 S C -1.230 173.342 174.600 -0.048 0.000 1.145 630 S CA -0.394 57.647 58.200 -0.265 0.000 1.013 630 S CB 1.604 64.595 63.200 -0.349 0.000 1.017 630 S HN 0.341 nan 8.310 nan 0.000 0.487 631 V N 6.077 125.999 119.914 0.013 0.000 2.448 631 V HA 0.607 4.728 4.120 0.001 0.000 0.295 631 V C -0.359 175.729 176.094 -0.010 0.000 1.025 631 V CA -0.638 61.686 62.300 0.041 0.000 0.859 631 V CB 1.499 33.363 31.823 0.068 0.000 0.988 631 V HN 0.841 nan 8.190 nan 0.000 0.431 632 K N 2.706 123.084 120.400 -0.037 0.000 2.443 632 K HA 0.930 5.250 4.320 0.001 0.000 0.251 632 K C 0.091 176.625 176.600 -0.110 0.000 0.972 632 K CA -0.436 55.802 56.287 -0.082 0.000 0.833 632 K CB 2.669 35.105 32.500 -0.106 0.000 1.317 632 K HN 1.035 nan 8.250 nan 0.000 0.441 633 G N 0.180 108.885 108.800 -0.159 0.000 2.280 633 G HA2 -0.109 3.852 3.960 0.001 0.000 0.277 633 G HA3 -0.109 3.852 3.960 0.001 0.000 0.277 633 G C -1.667 173.107 174.900 -0.211 0.000 1.288 633 G CA -1.074 43.868 45.100 -0.264 0.000 1.075 633 G HN 0.338 nan 8.290 nan 0.000 0.480 634 Y N 2.541 122.843 120.300 0.004 0.000 2.620 634 Y HA 0.134 4.684 4.550 0.001 0.000 0.330 634 Y C 2.260 178.154 175.900 -0.011 0.000 1.186 634 Y CA 0.365 58.468 58.100 0.005 0.000 1.467 634 Y CB 0.452 38.946 38.460 0.055 0.000 1.262 634 Y HN 0.624 nan 8.280 nan 0.000 0.550 635 N N 1.187 119.961 118.700 0.122 0.000 2.309 635 N HA -0.225 4.515 4.740 0.001 0.000 0.182 635 N C 1.226 176.768 175.510 0.052 0.000 1.018 635 N CA 1.247 54.336 53.050 0.066 0.000 0.876 635 N CB -0.216 38.298 38.487 0.045 0.000 0.972 635 N HN 0.749 nan 8.380 nan 0.000 0.434 636 D N 1.735 122.149 120.400 0.023 0.000 2.355 636 D HA -0.204 4.437 4.640 0.001 0.000 0.192 636 D C 0.834 177.142 176.300 0.013 0.000 1.014 636 D CA 1.851 55.828 54.000 -0.039 0.000 0.862 636 D CB -0.140 40.571 40.800 -0.148 0.000 0.986 636 D HN 0.380 nan 8.370 nan 0.000 0.456 637 K N -0.284 120.160 120.400 0.074 0.000 2.437 637 K HA 0.166 4.486 4.320 0.001 0.000 0.205 637 K C 1.914 178.609 176.600 0.159 0.000 1.026 637 K CA -0.206 56.156 56.287 0.125 0.000 1.153 637 K CB 0.484 33.109 32.500 0.209 0.000 0.863 637 K HN 0.275 nan 8.250 nan 0.000 0.502 638 Q N 0.539 120.405 119.800 0.111 0.000 2.096 638 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 638 Q C -0.984 175.070 176.000 0.090 0.000 0.982 638 Q CA 1.509 57.368 55.803 0.093 0.000 0.850 638 Q CB -0.837 27.945 28.738 0.074 0.000 0.901 638 Q HN 0.204 nan 8.270 nan 0.000 0.422 639 P HA -0.170 nan 4.420 nan 0.000 0.216 639 P C 1.083 178.426 177.300 0.071 0.000 1.150 639 P CA 1.188 64.328 63.100 0.066 0.000 0.837 639 P CB -0.055 31.676 31.700 0.052 0.000 0.786 640 I N -1.592 119.041 120.570 0.105 0.000 2.179 640 I HA -0.221 3.950 4.170 0.001 0.000 0.242 640 I C 2.229 178.467 176.117 0.202 0.000 1.088 640 I CA 1.099 62.483 61.300 0.139 0.000 1.357 640 I CB -0.650 37.440 38.000 0.150 0.000 1.051 640 I HN -0.054 nan 8.210 nan 0.000 0.409 641 L N 0.584 121.952 121.223 0.243 0.000 2.056 641 L HA -0.177 4.163 4.340 0.001 0.000 0.207 641 L C 2.256 179.128 176.870 0.003 0.000 1.078 641 L CA 1.649 56.597 54.840 0.181 0.000 0.749 641 L CB -0.563 41.522 42.059 0.044 0.000 0.901 641 L HN 0.168 nan 8.230 nan 0.000 0.433 642 L N -0.348 120.864 121.223 -0.018 0.000 2.012 642 L HA -0.292 4.048 4.340 0.001 0.000 0.210 642 L C 2.678 179.486 176.870 -0.103 0.000 1.073 642 L CA 2.168 56.954 54.840 -0.090 0.000 0.748 642 L CB -0.390 41.642 42.059 -0.045 0.000 0.891 642 L HN 0.437 nan 8.230 nan 0.000 0.431 643 K N 0.228 120.602 120.400 -0.043 0.000 2.063 643 K HA -0.295 4.025 4.320 0.001 0.000 0.208 643 K C 2.200 178.755 176.600 -0.076 0.000 1.048 643 K CA 1.945 58.205 56.287 -0.045 0.000 0.928 643 K CB -0.042 32.454 32.500 -0.007 0.000 0.713 643 K HN 0.035 nan 8.250 nan 0.000 0.442 644 K N 1.300 121.661 120.400 -0.066 0.000 2.032 644 K HA -0.114 4.206 4.320 0.001 0.000 0.209 644 K C 1.812 178.297 176.600 -0.191 0.000 1.048 644 K CA 1.750 57.956 56.287 -0.134 0.000 0.927 644 K CB -0.345 32.078 32.500 -0.128 0.000 0.712 644 K HN 0.275 nan 8.250 nan 0.000 0.441 645 I N 0.584 121.023 120.570 -0.218 0.000 2.142 645 I HA -0.274 3.897 4.170 0.001 0.000 0.240 645 I C 1.982 177.951 176.117 -0.247 0.000 1.078 645 I CA 0.920 62.043 61.300 -0.296 0.000 1.343 645 I CB -0.349 37.404 38.000 -0.412 0.000 1.046 645 I HN 0.141 nan 8.210 nan 0.000 0.405 646 I N 0.667 121.112 120.570 -0.208 0.000 2.179 646 I HA -0.259 3.911 4.170 0.001 0.000 0.242 646 I C 2.465 178.501 176.117 -0.135 0.000 1.088 646 I CA 1.645 62.841 61.300 -0.174 0.000 1.357 646 I CB -1.390 36.532 38.000 -0.129 0.000 1.051 646 I HN 0.334 nan 8.210 nan 0.000 0.409 647 E N 0.697 120.818 120.200 -0.131 0.000 2.058 647 E HA -0.232 4.119 4.350 0.001 0.000 0.194 647 E C 2.244 178.732 176.600 -0.187 0.000 0.997 647 E CA 1.198 57.495 56.400 -0.172 0.000 0.801 647 E CB 0.039 29.632 29.700 -0.178 0.000 0.746 647 E HN 0.313 nan 8.360 nan 0.000 0.450 648 K N 0.341 120.647 120.400 -0.157 0.000 2.097 648 K HA -0.136 4.184 4.320 0.001 0.000 0.205 648 K C 2.301 178.879 176.600 -0.038 0.000 1.050 648 K CA 1.412 57.643 56.287 -0.095 0.000 0.938 648 K CB -0.156 32.265 32.500 -0.130 0.000 0.718 648 K HN 0.309 nan 8.250 nan 0.000 0.442 649 M N -1.698 117.834 119.600 -0.113 0.000 2.394 649 M HA 0.054 4.534 4.480 0.001 0.000 0.264 649 M C 1.715 178.067 176.300 0.087 0.000 1.073 649 M CA 1.637 56.911 55.300 -0.044 0.000 1.111 649 M CB -0.066 32.431 32.600 -0.172 0.000 1.401 649 M HN -0.099 nan 8.290 nan 0.000 0.448 650 A N 0.557 123.379 122.820 0.003 0.000 2.308 650 A HA 0.158 4.478 4.320 0.001 0.000 0.217 650 A C 1.645 179.236 177.584 0.011 0.000 1.216 650 A CA 0.798 52.844 52.037 0.015 0.000 0.864 650 A CB -0.343 18.669 19.000 0.019 0.000 0.902 650 A HN 0.663 nan 8.150 nan 0.000 0.499 651 T N -4.630 109.923 114.554 -0.002 0.000 3.332 651 T HA 0.315 4.665 4.350 0.001 0.000 0.304 651 T C -0.164 174.572 174.700 0.059 0.000 0.971 651 T CA -0.475 61.609 62.100 -0.026 0.000 0.954 651 T CB -0.755 68.009 68.868 -0.174 0.000 1.175 651 T HN 0.048 nan 8.240 nan 0.000 0.519 652 F N 3.284 123.216 119.950 -0.029 0.000 2.578 652 F HA 0.376 4.904 4.527 0.001 0.000 0.376 652 F C 0.270 176.069 175.800 -0.003 0.000 1.085 652 F CA -0.558 57.447 58.000 0.007 0.000 1.260 652 F CB 0.380 39.451 39.000 0.118 0.000 1.095 652 F HN 0.228 nan 8.300 nan 0.000 0.573 653 E N 6.980 126.773 120.200 -0.679 0.000 2.186 653 E HA 0.300 4.650 4.350 0.001 0.000 0.255 653 E C -0.524 175.556 176.600 -0.866 0.000 0.881 653 E CA -0.563 55.493 56.400 -0.572 0.000 0.752 653 E CB 1.245 30.766 29.700 -0.298 0.000 1.176 653 E HN 0.495 nan 8.360 nan 0.000 0.421 654 I N 2.156 122.297 120.570 -0.715 0.000 2.710 654 I HA -0.049 4.121 4.170 0.001 0.000 0.286 654 I C 0.493 176.459 176.117 -0.253 0.000 1.181 654 I CA 0.284 61.293 61.300 -0.485 0.000 1.430 654 I CB 0.239 38.094 38.000 -0.241 0.000 1.367 654 I HN 0.437 nan 8.210 nan 0.000 0.577 655 D N 5.554 125.880 120.400 -0.124 0.000 2.317 655 D HA 0.059 4.699 4.640 0.001 0.000 0.234 655 D C 0.854 177.181 176.300 0.045 0.000 1.112 655 D CA -0.251 53.724 54.000 -0.041 0.000 0.840 655 D CB 1.201 41.997 40.800 -0.006 0.000 1.078 655 D HN 0.599 nan 8.370 nan 0.000 0.486 656 E N 3.130 123.347 120.200 0.029 0.000 2.049 656 E HA -0.290 4.060 4.350 0.001 0.000 0.198 656 E C 1.183 177.889 176.600 0.176 0.000 1.007 656 E CA 1.567 58.031 56.400 0.107 0.000 0.809 656 E CB 0.305 30.036 29.700 0.053 0.000 0.749 656 E HN 0.362 nan 8.360 nan 0.000 0.450 657 K N 0.057 120.514 120.400 0.094 0.000 2.009 657 K HA -0.123 4.197 4.320 0.001 0.000 0.210 657 K C 2.284 178.937 176.600 0.088 0.000 1.049 657 K CA 1.496 57.828 56.287 0.075 0.000 0.929 657 K CB -0.086 32.430 32.500 0.027 0.000 0.714 657 K HN 0.011 nan 8.250 nan 0.000 0.440 658 R N -0.068 120.488 120.500 0.094 0.000 2.091 658 R HA -0.152 4.188 4.340 0.001 0.000 0.238 658 R C 2.285 178.669 176.300 0.140 0.000 1.136 658 R CA 1.407 57.567 56.100 0.100 0.000 0.959 658 R CB -0.764 29.603 30.300 0.111 0.000 0.856 658 R HN 0.274 nan 8.270 nan 0.000 0.437 659 F N 2.617 122.594 119.950 0.045 0.000 2.069 659 F HA -0.195 4.333 4.527 0.001 0.000 0.298 659 F C 2.162 177.996 175.800 0.058 0.000 1.113 659 F CA 1.608 59.642 58.000 0.057 0.000 1.214 659 F CB -0.135 38.892 39.000 0.045 0.000 0.978 659 F HN -0.070 nan 8.300 nan 0.000 0.474 660 E N 0.652 120.791 120.200 -0.102 0.000 2.106 660 E HA -0.182 4.168 4.350 0.001 0.000 0.192 660 E C 2.529 179.042 176.600 -0.145 0.000 0.984 660 E CA 1.555 57.828 56.400 -0.211 0.000 0.806 660 E CB -0.516 29.178 29.700 -0.009 0.000 0.750 660 E HN 0.525 nan 8.360 nan 0.000 0.458 661 I N 0.864 121.404 120.570 -0.051 0.000 2.142 661 I HA -0.258 3.913 4.170 0.001 0.000 0.240 661 I C 2.468 178.574 176.117 -0.019 0.000 1.078 661 I CA 1.007 62.298 61.300 -0.015 0.000 1.343 661 I CB -0.225 37.786 38.000 0.019 0.000 1.046 661 I HN 0.027 nan 8.210 nan 0.000 0.405 662 I N 0.571 121.127 120.570 -0.022 0.000 2.315 662 I HA -0.297 3.873 4.170 0.001 0.000 0.248 662 I C 2.603 178.732 176.117 0.021 0.000 1.117 662 I CA 1.251 62.558 61.300 0.011 0.000 1.404 662 I CB -0.357 37.654 38.000 0.018 0.000 1.071 662 I HN 0.212 nan 8.210 nan 0.000 0.419 663 K N 0.897 121.226 120.400 -0.119 0.000 2.057 663 K HA -0.245 4.076 4.320 0.001 0.000 0.207 663 K C 2.215 178.817 176.600 0.004 0.000 1.049 663 K CA 1.404 57.634 56.287 -0.096 0.000 0.931 663 K CB -0.058 32.184 32.500 -0.429 0.000 0.714 663 K HN 0.145 nan 8.250 nan 0.000 0.440 664 E N 0.632 120.808 120.200 -0.041 0.000 2.110 664 E HA -0.157 4.194 4.350 0.001 0.000 0.193 664 E C 1.684 178.299 176.600 0.024 0.000 0.988 664 E CA 1.285 57.676 56.400 -0.015 0.000 0.804 664 E CB -0.065 29.623 29.700 -0.021 0.000 0.745 664 E HN 0.409 nan 8.360 nan 0.000 0.458 665 A N 0.176 123.031 122.820 0.058 0.000 1.930 665 A HA -0.174 4.146 4.320 0.001 0.000 0.217 665 A C 2.091 179.763 177.584 0.146 0.000 1.175 665 A CA 1.270 53.357 52.037 0.085 0.000 0.627 665 A CB -0.800 18.254 19.000 0.090 0.000 0.815 665 A HN 0.441 nan 8.150 nan 0.000 0.443 666 Y N -0.276 120.044 120.300 0.033 0.000 2.242 666 Y HA -0.146 4.404 4.550 0.001 0.000 0.291 666 Y C 2.160 178.043 175.900 -0.028 0.000 1.137 666 Y CA 1.896 60.013 58.100 0.028 0.000 1.181 666 Y CB -0.445 38.070 38.460 0.091 0.000 0.989 666 Y HN 0.330 nan 8.280 nan 0.000 0.527 667 M N 0.605 120.145 119.600 -0.100 0.000 2.080 667 M HA -0.173 4.308 4.480 0.001 0.000 0.260 667 M C 2.164 178.378 176.300 -0.143 0.000 1.068 667 M CA 1.846 57.026 55.300 -0.200 0.000 1.109 667 M CB -0.447 32.092 32.600 -0.102 0.000 1.342 667 M HN 0.132 nan 8.290 nan 0.000 0.405 668 R N -1.045 119.419 120.500 -0.060 0.000 2.081 668 R HA -0.117 4.224 4.340 0.001 0.000 0.235 668 R C 2.517 178.801 176.300 -0.027 0.000 1.131 668 R CA 1.587 57.668 56.100 -0.032 0.000 0.960 668 R CB -0.803 29.495 30.300 -0.003 0.000 0.856 668 R HN 0.530 nan 8.270 nan 0.000 0.436 669 S N 1.015 116.705 115.700 -0.016 0.000 2.365 669 S HA -0.133 4.338 4.470 0.001 0.000 0.225 669 S C 1.956 176.528 174.600 -0.047 0.000 1.039 669 S CA 1.194 59.398 58.200 0.007 0.000 1.033 669 S CB -0.160 63.084 63.200 0.072 0.000 0.887 669 S HN 0.222 nan 8.310 nan 0.000 0.447 670 L N 1.415 122.533 121.223 -0.175 0.000 2.046 670 L HA -0.094 4.246 4.340 0.001 0.000 0.208 670 L C 2.588 179.412 176.870 -0.077 0.000 1.077 670 L CA 1.211 55.932 54.840 -0.200 0.000 0.747 670 L CB -0.628 41.213 42.059 -0.363 0.000 0.896 670 L HN 0.345 nan 8.230 nan 0.000 0.432 671 N N 0.361 119.022 118.700 -0.065 0.000 2.188 671 N HA -0.152 4.589 4.740 0.001 0.000 0.184 671 N C 1.445 176.973 175.510 0.030 0.000 1.018 671 N CA 1.163 54.204 53.050 -0.015 0.000 0.858 671 N CB -0.368 38.104 38.487 -0.025 0.000 0.989 671 N HN 0.458 nan 8.380 nan 0.000 0.426 672 N N -0.046 118.675 118.700 0.035 0.000 2.519 672 N HA -0.114 4.626 4.740 0.001 0.000 0.186 672 N C 1.172 176.733 175.510 0.085 0.000 1.062 672 N CA 0.069 53.151 53.050 0.053 0.000 0.910 672 N CB -0.146 38.372 38.487 0.051 0.000 0.958 672 N HN 0.133 nan 8.380 nan 0.000 0.445 673 F N 2.678 122.595 119.950 -0.054 0.000 2.333 673 F HA -0.065 4.462 4.527 0.001 0.000 0.300 673 F C 2.274 178.106 175.800 0.052 0.000 1.083 673 F CA 0.828 58.787 58.000 -0.068 0.000 1.395 673 F CB -0.013 38.850 39.000 -0.228 0.000 1.056 673 F HN 0.014 nan 8.300 nan 0.000 0.529 674 R N 0.391 120.910 120.500 0.031 0.000 2.237 674 R HA 0.006 4.346 4.340 0.001 0.000 0.219 674 R C 1.627 177.966 176.300 0.065 0.000 1.080 674 R CA 1.235 57.379 56.100 0.072 0.000 0.995 674 R CB -0.796 29.550 30.300 0.076 0.000 0.875 674 R HN 0.237 nan 8.270 nan 0.000 0.462 675 A N 0.894 123.715 122.820 0.001 0.000 2.275 675 A HA 0.135 4.455 4.320 0.001 0.000 0.212 675 A C -0.039 177.580 177.584 0.058 0.000 1.201 675 A CA -0.278 51.767 52.037 0.013 0.000 0.843 675 A CB 0.059 19.064 19.000 0.009 0.000 0.873 675 A HN 0.197 nan 8.150 nan 0.000 0.492 676 E N 0.828 120.922 120.200 -0.177 0.000 2.371 676 E HA 0.174 4.524 4.350 0.001 0.000 0.257 676 E C 0.009 176.265 176.600 -0.574 0.000 1.134 676 E CA -0.113 56.081 56.400 -0.343 0.000 0.919 676 E CB 0.296 29.613 29.700 -0.639 0.000 1.025 676 E HN 0.524 nan 8.360 nan 0.000 0.438 677 Q N 1.389 120.805 119.800 -0.640 0.000 2.421 677 Q HA 0.020 4.361 4.340 0.001 0.000 0.255 677 Q C -1.538 174.074 176.000 -0.647 0.000 1.013 677 Q CA -1.306 54.010 55.803 -0.811 0.000 0.895 677 Q CB 0.090 28.577 28.738 -0.418 0.000 1.271 677 Q HN 0.190 nan 8.270 nan 0.000 0.460 678 P HA -0.268 nan 4.420 nan 0.000 0.216 678 P C 0.991 178.275 177.300 -0.027 0.000 1.157 678 P CA 1.610 64.602 63.100 -0.179 0.000 0.880 678 P CB -0.059 31.621 31.700 -0.033 0.000 0.791 679 H N -1.112 117.929 119.070 -0.047 0.000 2.457 679 H HA -0.028 4.529 4.556 0.001 0.000 0.294 679 H C 1.511 176.873 175.328 0.057 0.000 1.064 679 H CA 1.045 57.117 56.048 0.040 0.000 1.330 679 H CB -0.764 29.021 29.762 0.037 0.000 1.395 679 H HN 0.168 nan 8.280 nan 0.000 0.541 680 Q N 0.897 120.318 119.800 -0.632 0.000 2.083 680 Q HA -0.083 4.258 4.340 0.001 0.000 0.198 680 Q C 2.219 178.245 176.000 0.042 0.000 0.969 680 Q CA 0.982 56.567 55.803 -0.363 0.000 0.838 680 Q CB -0.373 28.110 28.738 -0.425 0.000 0.900 680 Q HN 0.795 nan 8.270 nan 0.000 0.436 681 H N 0.064 119.040 119.070 -0.157 0.000 2.353 681 H HA -0.049 4.507 4.556 0.001 0.000 0.300 681 H C 2.029 177.376 175.328 0.031 0.000 1.090 681 H CA 0.623 56.610 56.048 -0.100 0.000 1.327 681 H CB 0.282 30.008 29.762 -0.059 0.000 1.383 681 H HN 0.280 nan 8.280 nan 0.000 0.508 682 A N 1.202 124.207 122.820 0.307 0.000 1.883 682 A HA -0.216 4.104 4.320 0.001 0.000 0.217 682 A C 2.422 180.169 177.584 0.271 0.000 1.186 682 A CA 1.607 53.862 52.037 0.363 0.000 0.624 682 A CB -0.652 18.534 19.000 0.310 0.000 0.822 682 A HN 0.291 nan 8.150 nan 0.000 0.444 683 M N -2.310 117.406 119.600 0.193 0.000 2.117 683 M HA -0.129 4.352 4.480 0.001 0.000 0.262 683 M C 2.248 178.620 176.300 0.120 0.000 1.065 683 M CA 1.926 57.308 55.300 0.137 0.000 1.114 683 M CB -0.470 32.191 32.600 0.101 0.000 1.361 683 M HN 0.649 nan 8.290 nan 0.000 0.408 684 Y N 0.428 120.727 120.300 -0.001 0.000 2.097 684 Y HA -0.310 4.240 4.550 0.001 0.000 0.282 684 Y C 1.943 177.793 175.900 -0.084 0.000 1.152 684 Y CA 1.733 59.776 58.100 -0.095 0.000 1.136 684 Y CB -0.715 37.673 38.460 -0.120 0.000 0.975 684 Y HN 0.128 nan 8.280 nan 0.000 0.498 685 Y N -0.522 119.780 120.300 0.003 0.000 2.181 685 Y HA -0.200 4.351 4.550 0.001 0.000 0.288 685 Y C 2.392 178.184 175.900 -0.180 0.000 1.146 685 Y CA 1.307 59.322 58.100 -0.142 0.000 1.164 685 Y CB -1.250 37.323 38.460 0.188 0.000 0.982 685 Y HN 0.276 nan 8.280 nan 0.000 0.515 686 L N 0.204 121.483 121.223 0.094 0.000 2.042 686 L HA -0.182 4.158 4.340 0.001 0.000 0.210 686 L C 2.548 179.370 176.870 -0.080 0.000 1.076 686 L CA 1.730 56.579 54.840 0.016 0.000 0.749 686 L CB -0.592 41.489 42.059 0.037 0.000 0.893 686 L HN 0.032 nan 8.230 nan 0.000 0.432 687 R N -0.328 120.104 120.500 -0.114 0.000 2.091 687 R HA -0.129 4.211 4.340 0.001 0.000 0.238 687 R C 2.248 178.436 176.300 -0.188 0.000 1.136 687 R CA 1.938 57.950 56.100 -0.146 0.000 0.959 687 R CB -0.650 29.562 30.300 -0.146 0.000 0.856 687 R HN 0.460 nan 8.270 nan 0.000 0.437 688 L N 0.399 121.458 121.223 -0.273 0.000 2.141 688 L HA -0.142 4.199 4.340 0.001 0.000 0.209 688 L C 2.444 179.189 176.870 -0.208 0.000 1.094 688 L CA 0.833 55.501 54.840 -0.287 0.000 0.763 688 L CB -0.289 41.538 42.059 -0.387 0.000 0.908 688 L HN 0.175 nan 8.230 nan 0.000 0.437 689 L N -1.169 119.942 121.223 -0.187 0.000 2.179 689 L HA -0.115 4.225 4.340 0.001 0.000 0.208 689 L C 2.343 179.244 176.870 0.051 0.000 1.096 689 L CA 0.724 55.494 54.840 -0.117 0.000 0.779 689 L CB -0.172 41.744 42.059 -0.238 0.000 0.922 689 L HN 0.307 nan 8.230 nan 0.000 0.443 690 M N -1.344 118.262 119.600 0.011 0.000 2.509 690 M HA 0.106 4.586 4.480 0.001 0.000 0.250 690 M C 0.398 176.706 176.300 0.013 0.000 1.132 690 M CA 0.540 55.877 55.300 0.063 0.000 1.080 690 M CB -0.392 32.240 32.600 0.055 0.000 1.408 690 M HN 0.022 nan 8.290 nan 0.000 0.484 691 T N 0.452 114.969 114.554 -0.061 0.000 2.829 691 T HA 0.158 4.508 4.350 0.001 0.000 0.282 691 T C 1.128 175.737 174.700 -0.153 0.000 0.990 691 T CA -0.449 61.595 62.100 -0.094 0.000 1.028 691 T CB 2.526 71.305 68.868 -0.149 0.000 0.951 691 T HN 0.281 nan 8.240 nan 0.000 0.460 692 E N 2.369 122.495 120.200 -0.122 0.000 2.068 692 E HA -0.156 4.194 4.350 0.001 0.000 0.207 692 E C -0.047 176.352 176.600 -0.335 0.000 1.032 692 E CA 1.294 57.602 56.400 -0.153 0.000 0.839 692 E CB 0.181 29.872 29.700 -0.016 0.000 0.758 692 E HN 0.409 nan 8.360 nan 0.000 0.457 693 V N 0.086 119.615 119.914 -0.641 0.000 2.487 693 V HA 0.676 4.796 4.120 0.001 0.000 0.298 693 V C -0.628 175.002 176.094 -0.773 0.000 1.028 693 V CA -0.174 61.625 62.300 -0.836 0.000 0.860 693 V CB 1.378 32.566 31.823 -1.058 0.000 0.991 693 V HN 0.351 nan 8.190 nan 0.000 0.427 694 A N 4.442 126.815 122.820 -0.745 0.000 2.485 694 A HA 0.634 4.955 4.320 0.001 0.000 0.285 694 A C -1.491 175.807 177.584 -0.475 0.000 1.045 694 A CA -0.615 51.139 52.037 -0.471 0.000 0.792 694 A CB 0.674 19.496 19.000 -0.296 0.000 1.307 694 A HN 0.788 nan 8.150 nan 0.000 0.406 695 W N 2.544 123.813 121.300 -0.052 0.000 2.322 695 W HA 0.473 5.133 4.660 0.001 0.000 0.307 695 W C 1.220 177.722 176.519 -0.028 0.000 1.220 695 W CA 0.015 57.293 57.345 -0.111 0.000 1.210 695 W CB 1.523 30.844 29.460 -0.231 0.000 1.223 695 W HN 0.792 nan 8.180 nan 0.000 0.511 696 T N -0.003 114.686 114.554 0.224 0.000 2.828 696 T HA 0.132 4.482 4.350 0.001 0.000 0.290 696 T C 1.275 176.076 174.700 0.169 0.000 1.019 696 T CA -0.635 61.578 62.100 0.188 0.000 1.031 696 T CB 1.177 70.148 68.868 0.172 0.000 1.001 696 T HN 0.372 nan 8.240 nan 0.000 0.531 697 K N 0.979 121.476 120.400 0.163 0.000 2.063 697 K HA -0.114 4.207 4.320 0.001 0.000 0.208 697 K C 1.788 178.388 176.600 -0.000 0.000 1.048 697 K CA 1.535 57.821 56.287 -0.003 0.000 0.928 697 K CB -0.554 31.868 32.500 -0.131 0.000 0.713 697 K HN 0.656 nan 8.250 nan 0.000 0.442 698 D N 1.153 121.588 120.400 0.058 0.000 2.144 698 D HA -0.128 4.512 4.640 0.001 0.000 0.199 698 D C 1.864 178.174 176.300 0.017 0.000 0.984 698 D CA 1.016 55.038 54.000 0.038 0.000 0.834 698 D CB -0.014 40.831 40.800 0.074 0.000 0.955 698 D HN 0.400 nan 8.370 nan 0.000 0.465 699 E N 0.323 120.548 120.200 0.042 0.000 2.106 699 E HA -0.079 4.271 4.350 0.001 0.000 0.192 699 E C 2.416 178.987 176.600 -0.048 0.000 0.984 699 E CA 0.346 56.751 56.400 0.010 0.000 0.806 699 E CB -0.040 29.700 29.700 0.067 0.000 0.750 699 E HN 0.263 nan 8.360 nan 0.000 0.458 700 L N 1.437 122.641 121.223 -0.033 0.000 2.017 700 L HA -0.207 4.134 4.340 0.001 0.000 0.208 700 L C 2.565 179.369 176.870 -0.111 0.000 1.073 700 L CA 1.505 56.305 54.840 -0.068 0.000 0.745 700 L CB -0.533 41.501 42.059 -0.041 0.000 0.894 700 L HN 0.155 nan 8.230 nan 0.000 0.432 701 K N 0.114 120.433 120.400 -0.135 0.000 2.296 701 K HA -0.179 4.141 4.320 0.001 0.000 0.200 701 K C 1.789 178.336 176.600 -0.088 0.000 1.048 701 K CA 1.210 57.407 56.287 -0.152 0.000 0.966 701 K CB -0.170 32.233 32.500 -0.161 0.000 0.754 701 K HN 0.313 nan 8.250 nan 0.000 0.466 702 E N 1.309 121.470 120.200 -0.065 0.000 2.107 702 E HA -0.098 4.252 4.350 0.001 0.000 0.191 702 E C 1.820 178.391 176.600 -0.050 0.000 0.982 702 E CA 0.936 57.308 56.400 -0.046 0.000 0.809 702 E CB -0.012 29.668 29.700 -0.034 0.000 0.756 702 E HN 0.443 nan 8.360 nan 0.000 0.459 703 A N 0.506 123.286 122.820 -0.067 0.000 2.123 703 A HA 0.020 4.340 4.320 0.001 0.000 0.214 703 A C 1.957 179.519 177.584 -0.037 0.000 1.152 703 A CA 0.275 52.272 52.037 -0.066 0.000 0.728 703 A CB -0.311 18.621 19.000 -0.113 0.000 0.814 703 A HN 0.360 nan 8.150 nan 0.000 0.464 704 L N 0.370 121.574 121.223 -0.032 0.000 2.012 704 L HA -0.191 4.149 4.340 0.001 0.000 0.210 704 L C 1.548 178.426 176.870 0.014 0.000 1.073 704 L CA 2.388 57.232 54.840 0.006 0.000 0.748 704 L CB -0.643 41.397 42.059 -0.031 0.000 0.891 704 L HN 0.317 nan 8.230 nan 0.000 0.431 705 D N -0.157 120.239 120.400 -0.006 0.000 2.228 705 D HA -0.184 4.456 4.640 0.001 0.000 0.203 705 D C 1.509 177.823 176.300 0.024 0.000 0.988 705 D CA 1.315 55.318 54.000 0.005 0.000 0.864 705 D CB -0.134 40.663 40.800 -0.005 0.000 0.928 705 D HN 0.503 nan 8.370 nan 0.000 0.469 706 D N -0.268 120.142 120.400 0.017 0.000 2.355 706 D HA -0.012 4.628 4.640 0.001 0.000 0.218 706 D C 0.261 176.587 176.300 0.042 0.000 1.004 706 D CA 0.053 54.066 54.000 0.023 0.000 0.880 706 D CB 0.670 41.472 40.800 0.003 0.000 0.911 706 D HN 0.028 nan 8.370 nan 0.000 0.528 707 V N 2.511 122.464 119.914 0.066 0.000 2.421 707 V HA 0.078 4.198 4.120 0.001 0.000 0.271 707 V C 0.866 177.105 176.094 0.243 0.000 1.031 707 V CA 0.194 62.565 62.300 0.117 0.000 1.032 707 V CB 0.433 32.345 31.823 0.149 0.000 1.009 707 V HN 0.169 nan 8.190 nan 0.000 0.477 708 T N 2.503 117.152 114.554 0.158 0.000 2.940 708 T HA 0.486 4.836 4.350 0.001 0.000 0.288 708 T C 0.769 175.401 174.700 -0.113 0.000 1.033 708 T CA -0.755 61.431 62.100 0.143 0.000 1.033 708 T CB 1.738 70.639 68.868 0.056 0.000 1.079 708 T HN 0.218 nan 8.240 nan 0.000 0.496 709 L N 1.932 122.938 121.223 -0.362 0.000 2.013 709 L HA 0.125 4.466 4.340 0.001 0.000 0.212 709 L C -0.940 175.731 176.870 -0.332 0.000 1.073 709 L CA 1.978 56.398 54.840 -0.700 0.000 0.753 709 L CB -1.650 40.087 42.059 -0.536 0.000 0.890 709 L HN 0.559 nan 8.230 nan 0.000 0.432 710 P HA -0.200 nan 4.420 nan 0.000 0.215 710 P C 1.558 178.808 177.300 -0.083 0.000 1.157 710 P CA 1.526 64.561 63.100 -0.108 0.000 0.874 710 P CB -0.088 31.574 31.700 -0.063 0.000 0.790 711 R N -0.463 119.998 120.500 -0.065 0.000 2.096 711 R HA -0.102 4.238 4.340 0.001 0.000 0.235 711 R C 2.036 178.321 176.300 -0.025 0.000 1.127 711 R CA 1.168 57.248 56.100 -0.033 0.000 0.968 711 R CB -1.553 28.732 30.300 -0.026 0.000 0.861 711 R HN 0.070 nan 8.270 nan 0.000 0.440 712 L N 0.778 121.955 121.223 -0.076 0.000 2.056 712 L HA -0.039 4.302 4.340 0.001 0.000 0.207 712 L C 1.581 178.461 176.870 0.016 0.000 1.078 712 L CA 1.866 56.691 54.840 -0.025 0.000 0.749 712 L CB -0.369 41.625 42.059 -0.108 0.000 0.901 712 L HN 0.119 nan 8.230 nan 0.000 0.433 713 K N -0.583 119.772 120.400 -0.076 0.000 2.147 713 K HA -0.086 4.234 4.320 0.001 0.000 0.205 713 K C 2.004 178.574 176.600 -0.050 0.000 1.049 713 K CA 1.232 57.475 56.287 -0.074 0.000 0.936 713 K CB -0.308 32.127 32.500 -0.110 0.000 0.722 713 K HN 0.463 nan 8.250 nan 0.000 0.446 714 A N 0.931 123.737 122.820 -0.024 0.000 1.968 714 A HA -0.115 4.205 4.320 0.001 0.000 0.217 714 A C 1.920 179.499 177.584 -0.009 0.000 1.169 714 A CA 0.696 52.721 52.037 -0.020 0.000 0.638 714 A CB -0.536 18.463 19.000 -0.002 0.000 0.812 714 A HN 0.344 nan 8.150 nan 0.000 0.446 715 F N 1.199 121.077 119.950 -0.120 0.000 2.095 715 F HA -0.197 4.330 4.527 0.001 0.000 0.298 715 F C 1.875 177.572 175.800 -0.171 0.000 1.104 715 F CA 1.757 59.680 58.000 -0.127 0.000 1.232 715 F CB -0.327 38.587 39.000 -0.143 0.000 0.987 715 F HN 0.199 nan 8.300 nan 0.000 0.475 716 I N 0.742 121.091 120.570 -0.370 0.000 2.091 716 I HA -0.281 3.889 4.170 0.001 0.000 0.239 716 I C -0.462 175.377 176.117 -0.464 0.000 1.061 716 I CA 1.716 62.647 61.300 -0.614 0.000 1.317 716 I CB -2.073 35.653 38.000 -0.458 0.000 1.031 716 I HN 0.133 nan 8.210 nan 0.000 0.401 717 P HA -0.214 nan 4.420 nan 0.000 0.216 717 P C 1.534 178.694 177.300 -0.233 0.000 1.150 717 P CA 1.354 64.344 63.100 -0.184 0.000 0.837 717 P CB -0.010 31.621 31.700 -0.114 0.000 0.786 718 Q N -0.466 119.145 119.800 -0.316 0.000 2.084 718 Q HA -0.140 4.200 4.340 0.001 0.000 0.202 718 Q C 1.992 177.710 176.000 -0.471 0.000 0.978 718 Q CA 1.377 56.938 55.803 -0.404 0.000 0.844 718 Q CB -1.340 27.137 28.738 -0.435 0.000 0.898 718 Q HN 0.086 nan 8.270 nan 0.000 0.426 719 L N -0.114 120.776 121.223 -0.554 0.000 2.046 719 L HA -0.079 4.261 4.340 0.001 0.000 0.208 719 L C 1.792 178.563 176.870 -0.165 0.000 1.077 719 L CA 1.685 56.282 54.840 -0.405 0.000 0.747 719 L CB -0.531 41.100 42.059 -0.713 0.000 0.896 719 L HN 0.423 nan 8.230 nan 0.000 0.432 720 L N -0.560 120.556 121.223 -0.178 0.000 2.509 720 L HA -0.031 4.309 4.340 0.001 0.000 0.222 720 L C 2.624 179.488 176.870 -0.010 0.000 1.123 720 L CA 0.651 55.456 54.840 -0.058 0.000 0.856 720 L CB -0.356 41.664 42.059 -0.066 0.000 0.985 720 L HN 0.289 nan 8.230 nan 0.000 0.456 721 S N 0.267 115.937 115.700 -0.050 0.000 2.370 721 S HA -0.141 4.329 4.470 0.001 0.000 0.226 721 S C 1.132 175.758 174.600 0.043 0.000 1.033 721 S CA 0.736 58.930 58.200 -0.009 0.000 1.011 721 S CB -0.085 63.076 63.200 -0.065 0.000 0.852 721 S HN 0.406 nan 8.310 nan 0.000 0.457 722 R N 0.175 120.714 120.500 0.065 0.000 2.532 722 R HA 0.768 5.108 4.340 0.001 0.000 0.297 722 R C -1.543 174.876 176.300 0.198 0.000 0.984 722 R CA -0.408 55.769 56.100 0.129 0.000 0.884 722 R CB 1.700 32.081 30.300 0.135 0.000 1.182 722 R HN 0.269 nan 8.270 nan 0.000 0.442 723 L N 0.846 122.208 121.223 0.231 0.000 2.600 723 L HA 0.506 4.846 4.340 0.001 0.000 0.257 723 L C -1.174 175.916 176.870 0.367 0.000 1.048 723 L CA -1.133 53.901 54.840 0.322 0.000 0.869 723 L CB 2.275 44.538 42.059 0.341 0.000 1.482 723 L HN 0.554 nan 8.230 nan 0.000 0.408 724 H N 0.655 119.930 119.070 0.341 0.000 2.679 724 H HA 0.690 5.247 4.556 0.001 0.000 0.360 724 H C -1.646 173.936 175.328 0.425 0.000 1.105 724 H CA -0.452 55.777 56.048 0.301 0.000 1.196 724 H CB 1.496 31.375 29.762 0.195 0.000 1.636 724 H HN 0.425 nan 8.280 nan 0.000 0.531 725 I N 4.205 124.612 120.570 -0.272 0.000 2.382 725 I HA 0.243 4.413 4.170 0.001 0.000 0.286 725 I C -0.341 175.634 176.117 -0.236 0.000 1.002 725 I CA -0.544 60.646 61.300 -0.184 0.000 1.135 725 I CB 1.694 39.648 38.000 -0.076 0.000 1.288 725 I HN 0.569 nan 8.210 nan 0.000 0.448 726 E N 5.636 125.858 120.200 0.036 0.000 2.129 726 E HA 0.730 5.080 4.350 0.001 0.000 0.268 726 E C -1.150 175.629 176.600 0.298 0.000 0.900 726 E CA -0.497 56.042 56.400 0.232 0.000 0.755 726 E CB 1.533 31.526 29.700 0.488 0.000 1.117 726 E HN 0.749 nan 8.360 nan 0.000 0.410 727 A N 4.442 127.415 122.820 0.254 0.000 2.386 727 A HA 0.699 5.019 4.320 0.001 0.000 0.308 727 A C -1.571 176.200 177.584 0.311 0.000 1.128 727 A CA -0.806 51.286 52.037 0.092 0.000 0.789 727 A CB 1.571 20.346 19.000 -0.375 0.000 1.325 727 A HN 0.573 nan 8.150 nan 0.000 0.437 728 L N 2.038 123.324 121.223 0.105 0.000 2.504 728 L HA 0.483 4.823 4.340 0.001 0.000 0.265 728 L C -1.912 174.947 176.870 -0.017 0.000 0.975 728 L CA -0.252 54.717 54.840 0.215 0.000 0.864 728 L CB 0.817 43.134 42.059 0.430 0.000 1.212 728 L HN 0.711 nan 8.230 nan 0.000 0.416 729 L N 5.181 126.451 121.223 0.078 0.000 2.280 729 L HA 0.458 4.798 4.340 0.001 0.000 0.287 729 L C -0.958 176.035 176.870 0.204 0.000 1.023 729 L CA -0.588 54.313 54.840 0.102 0.000 0.819 729 L CB 1.345 43.503 42.059 0.166 0.000 1.212 729 L HN 0.551 nan 8.230 nan 0.000 0.420 730 H N 2.441 121.522 119.070 0.017 0.000 2.759 730 H HA 0.813 5.370 4.556 0.001 0.000 0.354 730 H C -0.291 175.035 175.328 -0.004 0.000 1.074 730 H CA -0.009 56.026 56.048 -0.021 0.000 1.226 730 H CB 2.002 31.779 29.762 0.025 0.000 1.648 730 H HN 0.732 nan 8.280 nan 0.000 0.529 731 G N 3.193 111.969 108.800 -0.039 0.000 2.334 731 G HA2 -0.097 3.864 3.960 0.001 0.000 0.249 731 G HA3 -0.097 3.864 3.960 0.001 0.000 0.249 731 G C -1.033 173.865 174.900 -0.002 0.000 1.327 731 G CA -0.619 44.392 45.100 -0.149 0.000 0.979 731 G HN 0.693 nan 8.290 nan 0.000 0.471 732 N N 0.837 119.542 118.700 0.009 0.000 2.819 732 N HA 0.480 5.220 4.740 0.001 0.000 0.284 732 N C -0.244 175.325 175.510 0.099 0.000 1.196 732 N CA 0.145 53.231 53.050 0.060 0.000 1.114 732 N CB -0.481 38.035 38.487 0.048 0.000 1.437 732 N HN 0.752 nan 8.380 nan 0.000 0.518 733 I N 0.114 120.784 120.570 0.166 0.000 2.918 733 I HA 0.411 4.581 4.170 0.001 0.000 0.301 733 I C -0.601 175.703 176.117 0.312 0.000 1.312 733 I CA -0.618 60.806 61.300 0.205 0.000 1.007 733 I CB 2.005 40.140 38.000 0.226 0.000 1.281 733 I HN 0.278 nan 8.210 nan 0.000 0.440 734 T N 1.441 116.091 114.554 0.160 0.000 2.944 734 T HA 0.333 4.683 4.350 0.001 0.000 0.284 734 T C 0.851 175.341 174.700 -0.349 0.000 1.010 734 T CA -0.565 61.581 62.100 0.076 0.000 1.025 734 T CB 1.854 70.734 68.868 0.020 0.000 1.079 734 T HN 0.801 nan 8.240 nan 0.000 0.516 735 K N -0.155 119.901 120.400 -0.572 0.000 2.063 735 K HA -0.185 4.136 4.320 0.001 0.000 0.208 735 K C 2.193 178.489 176.600 -0.507 0.000 1.048 735 K CA 1.337 57.041 56.287 -0.973 0.000 0.928 735 K CB -0.100 32.111 32.500 -0.481 0.000 0.713 735 K HN 0.481 nan 8.250 nan 0.000 0.442 736 Q N -0.104 119.539 119.800 -0.263 0.000 2.119 736 Q HA -0.069 4.271 4.340 0.001 0.000 0.201 736 Q C 2.041 177.961 176.000 -0.133 0.000 0.972 736 Q CA 1.502 57.209 55.803 -0.159 0.000 0.847 736 Q CB -0.259 28.424 28.738 -0.091 0.000 0.903 736 Q HN 0.433 nan 8.270 nan 0.000 0.433 737 A N 0.861 123.607 122.820 -0.123 0.000 1.898 737 A HA -0.070 4.250 4.320 0.001 0.000 0.216 737 A C 2.311 179.855 177.584 -0.066 0.000 1.181 737 A CA 1.826 53.827 52.037 -0.062 0.000 0.620 737 A CB -0.680 18.310 19.000 -0.018 0.000 0.819 737 A HN 0.352 nan 8.150 nan 0.000 0.442 738 A N -0.031 122.695 122.820 -0.156 0.000 1.865 738 A HA -0.121 4.199 4.320 0.001 0.000 0.217 738 A C 2.157 179.696 177.584 -0.074 0.000 1.191 738 A CA 1.637 53.606 52.037 -0.112 0.000 0.623 738 A CB -0.782 18.034 19.000 -0.306 0.000 0.826 738 A HN 0.475 nan 8.150 nan 0.000 0.444 739 L N -0.608 120.534 121.223 -0.135 0.000 2.127 739 L HA -0.166 4.175 4.340 0.001 0.000 0.211 739 L C 2.757 179.610 176.870 -0.029 0.000 1.089 739 L CA 1.004 55.798 54.840 -0.077 0.000 0.757 739 L CB -0.669 41.329 42.059 -0.101 0.000 0.899 739 L HN 0.532 nan 8.230 nan 0.000 0.434 740 G N 0.045 108.826 108.800 -0.030 0.000 2.402 740 G HA2 -0.185 3.775 3.960 0.001 0.000 0.216 740 G HA3 -0.185 3.775 3.960 0.001 0.000 0.216 740 G C 1.582 176.500 174.900 0.029 0.000 1.162 740 G CA 0.523 45.621 45.100 -0.004 0.000 0.777 740 G HN 0.277 nan 8.290 nan 0.000 0.539 741 I N -0.047 120.555 120.570 0.053 0.000 2.202 741 I HA -0.153 4.018 4.170 0.001 0.000 0.242 741 I C 2.713 178.916 176.117 0.144 0.000 1.091 741 I CA 1.227 62.591 61.300 0.107 0.000 1.368 741 I CB -0.162 37.934 38.000 0.160 0.000 1.058 741 I HN 0.181 nan 8.210 nan 0.000 0.410 742 M N 0.625 120.315 119.600 0.150 0.000 2.080 742 M HA -0.268 4.212 4.480 0.001 0.000 0.260 742 M C 2.236 178.602 176.300 0.109 0.000 1.068 742 M CA 1.925 57.330 55.300 0.176 0.000 1.109 742 M CB -0.434 32.235 32.600 0.116 0.000 1.342 742 M HN 0.042 nan 8.290 nan 0.000 0.405 743 Q N -0.509 119.329 119.800 0.063 0.000 2.135 743 Q HA -0.188 4.152 4.340 0.001 0.000 0.204 743 Q C 2.081 178.105 176.000 0.039 0.000 0.981 743 Q CA 2.149 57.976 55.803 0.041 0.000 0.856 743 Q CB -0.471 28.278 28.738 0.019 0.000 0.902 743 Q HN 0.609 nan 8.270 nan 0.000 0.425 744 M N -0.732 118.892 119.600 0.040 0.000 2.117 744 M HA -0.133 4.347 4.480 0.001 0.000 0.262 744 M C 1.730 178.046 176.300 0.026 0.000 1.065 744 M CA 1.356 56.673 55.300 0.028 0.000 1.114 744 M CB -0.320 32.296 32.600 0.027 0.000 1.361 744 M HN 0.186 nan 8.290 nan 0.000 0.408 745 V N 1.286 121.221 119.914 0.035 0.000 2.295 745 V HA -0.280 3.840 4.120 0.001 0.000 0.246 745 V C 2.220 178.350 176.094 0.060 0.000 1.049 745 V CA 2.150 64.461 62.300 0.019 0.000 1.024 745 V CB -0.911 30.907 31.823 -0.007 0.000 0.648 745 V HN 0.507 nan 8.190 nan 0.000 0.447 746 E N 0.036 120.283 120.200 0.077 0.000 2.038 746 E HA -0.254 4.097 4.350 0.001 0.000 0.195 746 E C 2.005 178.629 176.600 0.041 0.000 1.000 746 E CA 1.580 58.025 56.400 0.076 0.000 0.803 746 E CB -0.338 29.405 29.700 0.071 0.000 0.750 746 E HN 0.578 nan 8.360 nan 0.000 0.448 747 D N 0.289 120.702 120.400 0.022 0.000 2.133 747 D HA -0.130 4.510 4.640 0.001 0.000 0.195 747 D C 2.022 178.306 176.300 -0.026 0.000 0.997 747 D CA 1.473 55.468 54.000 -0.008 0.000 0.840 747 D CB -0.550 40.245 40.800 -0.009 0.000 0.947 747 D HN 0.118 nan 8.370 nan 0.000 0.452 748 T N 0.857 115.417 114.554 0.010 0.000 2.746 748 T HA -0.058 4.292 4.350 0.001 0.000 0.267 748 T C 2.235 176.971 174.700 0.061 0.000 1.039 748 T CA 0.548 62.683 62.100 0.058 0.000 1.142 748 T CB -0.245 68.666 68.868 0.071 0.000 0.866 748 T HN 0.118 nan 8.240 nan 0.000 0.444 749 L N 0.137 121.382 121.223 0.036 0.000 2.027 749 L HA 0.005 4.346 4.340 0.001 0.000 0.206 749 L C 2.467 179.321 176.870 -0.027 0.000 1.074 749 L CA 1.164 56.020 54.840 0.028 0.000 0.745 749 L CB -0.500 41.598 42.059 0.064 0.000 0.898 749 L HN 0.241 nan 8.230 nan 0.000 0.433 750 I N -0.275 120.273 120.570 -0.036 0.000 2.226 750 I HA -0.303 3.867 4.170 0.001 0.000 0.245 750 I C 2.649 178.646 176.117 -0.200 0.000 1.100 750 I CA 1.452 62.709 61.300 -0.071 0.000 1.374 750 I CB -0.227 37.754 38.000 -0.031 0.000 1.057 750 I HN 0.362 nan 8.210 nan 0.000 0.413 751 E N 0.032 120.082 120.200 -0.251 0.000 2.152 751 E HA -0.210 4.140 4.350 0.001 0.000 0.192 751 E C 1.903 178.127 176.600 -0.627 0.000 0.983 751 E CA 1.105 57.246 56.400 -0.433 0.000 0.818 751 E CB 0.145 29.544 29.700 -0.503 0.000 0.758 751 E HN 0.584 nan 8.360 nan 0.000 0.467 752 H N -1.668 117.253 119.070 -0.248 0.000 2.681 752 H HA 0.283 4.839 4.556 0.001 0.000 0.268 752 H C 1.179 176.344 175.328 -0.271 0.000 0.967 752 H CA 0.906 56.813 56.048 -0.235 0.000 1.233 752 H CB 0.916 30.610 29.762 -0.114 0.000 1.445 752 H HN 0.226 nan 8.280 nan 0.000 0.494 753 A N 0.080 122.817 122.820 -0.139 0.000 2.343 753 A HA 0.083 4.404 4.320 0.001 0.000 0.223 753 A C 0.064 177.655 177.584 0.012 0.000 1.214 753 A CA -0.159 51.855 52.037 -0.037 0.000 0.900 753 A CB -0.091 18.912 19.000 0.005 0.000 0.942 753 A HN 0.478 nan 8.150 nan 0.000 0.507 754 H N 0.088 119.159 119.070 0.001 0.000 2.921 754 H HA -0.136 4.420 4.556 0.001 0.000 0.281 754 H C -0.182 175.150 175.328 0.007 0.000 1.165 754 H CA 1.011 57.055 56.048 -0.006 0.000 1.151 754 H CB -2.661 27.093 29.762 -0.014 0.000 1.311 754 H HN 0.433 nan 8.280 nan 0.000 0.361 755 T N 2.646 117.242 114.554 0.070 0.000 2.933 755 T HA 0.193 4.543 4.350 0.001 0.000 0.306 755 T C 1.056 175.807 174.700 0.085 0.000 1.045 755 T CA 0.303 62.450 62.100 0.079 0.000 1.143 755 T CB 1.320 70.237 68.868 0.082 0.000 1.003 755 T HN 0.181 nan 8.240 nan 0.000 0.540 756 K N 2.805 123.261 120.400 0.092 0.000 2.444 756 K HA 0.471 4.792 4.320 0.001 0.000 0.252 756 K C -2.921 173.744 176.600 0.108 0.000 0.993 756 K CA -2.444 53.895 56.287 0.087 0.000 0.847 756 K CB 1.258 33.801 32.500 0.072 0.000 1.340 756 K HN 0.205 nan 8.250 nan 0.000 0.446 757 P HA 0.082 nan 4.420 nan 0.000 0.269 757 P C -0.487 176.879 177.300 0.110 0.000 1.209 757 P CA -0.405 62.766 63.100 0.117 0.000 0.776 757 P CB 0.400 32.152 31.700 0.087 0.000 0.876 758 L N 3.336 124.636 121.223 0.129 0.000 2.416 758 L HA 0.351 4.692 4.340 0.001 0.000 0.262 758 L C -0.547 176.346 176.870 0.037 0.000 1.093 758 L CA -0.619 54.287 54.840 0.109 0.000 0.801 758 L CB 0.422 42.578 42.059 0.162 0.000 1.191 758 L HN 0.140 nan 8.230 nan 0.000 0.459 759 L N 5.020 126.259 121.223 0.027 0.000 2.371 759 L HA 0.345 4.685 4.340 0.001 0.000 0.272 759 L C -1.360 175.474 176.870 -0.061 0.000 1.124 759 L CA -1.170 53.663 54.840 -0.011 0.000 0.816 759 L CB 0.350 42.412 42.059 0.006 0.000 1.129 759 L HN 0.522 nan 8.230 nan 0.000 0.448 760 P HA -0.166 nan 4.420 nan 0.000 0.216 760 P C 1.203 178.436 177.300 -0.112 0.000 1.150 760 P CA 1.381 64.395 63.100 -0.143 0.000 0.837 760 P CB 0.162 31.786 31.700 -0.127 0.000 0.786 761 S N -0.767 114.891 115.700 -0.068 0.000 2.474 761 S HA -0.118 4.352 4.470 0.001 0.000 0.235 761 S C 1.989 176.563 174.600 -0.044 0.000 0.997 761 S CA 0.642 58.811 58.200 -0.051 0.000 0.949 761 S CB -0.967 62.215 63.200 -0.029 0.000 0.766 761 S HN 0.240 nan 8.310 nan 0.000 0.517 762 Q N 0.297 120.074 119.800 -0.038 0.000 2.398 762 Q HA 0.292 4.632 4.340 0.001 0.000 0.204 762 Q C 0.214 176.191 176.000 -0.038 0.000 0.932 762 Q CA 0.203 56.000 55.803 -0.010 0.000 0.916 762 Q CB -0.120 28.640 28.738 0.036 0.000 1.024 762 Q HN 0.559 nan 8.270 nan 0.000 0.504 763 L N 2.070 123.226 121.223 -0.112 0.000 2.376 763 L HA 0.115 4.455 4.340 0.001 0.000 0.250 763 L C -0.487 176.256 176.870 -0.212 0.000 1.335 763 L CA -0.363 54.354 54.840 -0.205 0.000 1.214 763 L CB -0.340 41.517 42.059 -0.337 0.000 1.395 763 L HN -0.080 nan 8.230 nan 0.000 0.424 764 V N 2.094 121.911 119.914 -0.161 0.000 2.607 764 V HA 0.389 4.509 4.120 0.001 0.000 0.289 764 V C 0.455 176.337 176.094 -0.353 0.000 1.053 764 V CA -0.598 61.592 62.300 -0.183 0.000 0.996 764 V CB 1.556 33.324 31.823 -0.091 0.000 0.995 764 V HN 0.495 nan 8.190 nan 0.000 0.476 765 R N 2.445 122.746 120.500 -0.332 0.000 2.711 765 R HA 0.487 4.828 4.340 0.001 0.000 0.284 765 R C -1.005 175.212 176.300 -0.138 0.000 0.968 765 R CA -0.796 55.053 56.100 -0.418 0.000 0.924 765 R CB 1.399 31.503 30.300 -0.327 0.000 1.162 765 R HN 0.614 nan 8.270 nan 0.000 0.465 766 Y N 1.229 121.689 120.300 0.267 0.000 2.304 766 Y HA 0.345 4.896 4.550 0.001 0.000 0.327 766 Y C 1.100 177.055 175.900 0.092 0.000 1.209 766 Y CA -0.362 57.837 58.100 0.164 0.000 1.299 766 Y CB 1.068 39.612 38.460 0.140 0.000 1.249 766 Y HN 0.167 nan 8.280 nan 0.000 0.519 767 R N 1.016 121.668 120.500 0.253 0.000 2.674 767 R HA 0.319 4.659 4.340 0.001 0.000 0.266 767 R C -0.899 175.486 176.300 0.142 0.000 1.016 767 R CA -1.052 55.146 56.100 0.164 0.000 1.062 767 R CB 1.190 31.573 30.300 0.138 0.000 1.142 767 R HN 0.626 nan 8.270 nan 0.000 0.517 768 E N 0.716 121.013 120.200 0.161 0.000 2.242 768 E HA 0.214 4.565 4.350 0.001 0.000 0.275 768 E C -0.774 175.963 176.600 0.228 0.000 1.002 768 E CA -0.723 55.776 56.400 0.166 0.000 0.841 768 E CB 1.341 31.131 29.700 0.149 0.000 1.109 768 E HN 0.199 nan 8.360 nan 0.000 0.394 769 V N 3.650 123.649 119.914 0.142 0.000 2.763 769 V HA -0.059 4.062 4.120 0.001 0.000 0.306 769 V C 0.288 176.454 176.094 0.119 0.000 1.059 769 V CA 0.454 62.782 62.300 0.046 0.000 1.138 769 V CB 1.057 32.855 31.823 -0.042 0.000 0.940 769 V HN 0.736 nan 8.190 nan 0.000 0.489 770 Q N 3.701 123.430 119.800 -0.119 0.000 2.368 770 Q HA 0.364 4.704 4.340 0.001 0.000 0.256 770 Q C -1.112 174.744 176.000 -0.240 0.000 0.980 770 Q CA -0.902 54.683 55.803 -0.363 0.000 0.887 770 Q CB 1.089 29.286 28.738 -0.902 0.000 1.221 770 Q HN 0.533 nan 8.270 nan 0.000 0.458 771 L N 6.713 127.869 121.223 -0.112 0.000 2.417 771 L HA 0.395 4.735 4.340 0.001 0.000 0.268 771 L C -1.959 174.907 176.870 -0.006 0.000 1.158 771 L CA -1.803 53.041 54.840 0.008 0.000 0.819 771 L CB 0.264 42.434 42.059 0.185 0.000 1.112 771 L HN 0.620 nan 8.230 nan 0.000 0.458 772 P HA 0.122 nan 4.420 nan 0.000 0.282 772 P C -0.984 176.513 177.300 0.328 0.000 1.249 772 P CA -0.710 62.498 63.100 0.180 0.000 0.806 772 P CB 0.760 32.562 31.700 0.170 0.000 0.984 773 D N 2.525 123.090 120.400 0.276 0.000 2.525 773 D HA -0.030 4.610 4.640 0.001 0.000 0.235 773 D C 1.129 177.485 176.300 0.094 0.000 1.137 773 D CA 0.586 54.701 54.000 0.192 0.000 0.868 773 D CB -0.008 40.856 40.800 0.106 0.000 1.180 773 D HN 0.406 nan 8.370 nan 0.000 0.465 774 R N -0.340 120.165 120.500 0.009 0.000 4.000 774 R HA -0.160 4.180 4.340 0.001 0.000 0.362 774 R C 0.749 177.083 176.300 0.056 0.000 1.183 774 R CA 0.941 57.042 56.100 0.002 0.000 1.011 774 R CB -1.776 28.520 30.300 -0.007 0.000 1.501 774 R HN 0.531 nan 8.270 nan 0.000 0.553 775 G N -0.257 108.619 108.800 0.126 0.000 2.476 775 G HA2 0.328 4.289 3.960 0.001 0.000 0.269 775 G HA3 0.328 4.289 3.960 0.001 0.000 0.269 775 G C -1.303 173.705 174.900 0.181 0.000 1.195 775 G CA -0.083 45.083 45.100 0.108 0.000 0.843 775 G HN 0.218 nan 8.290 nan 0.000 0.545 776 W N 2.960 124.094 121.300 -0.277 0.000 3.036 776 W HA 0.664 5.324 4.660 0.001 0.000 0.337 776 W C -2.212 174.097 176.519 -0.350 0.000 1.055 776 W CA -2.314 54.933 57.345 -0.164 0.000 1.248 776 W CB 0.822 30.223 29.460 -0.097 0.000 1.335 776 W HN 0.328 nan 8.180 nan 0.000 0.446 777 F N 4.824 124.808 119.950 0.057 0.000 2.538 777 F HA 0.769 5.296 4.527 0.001 0.000 0.325 777 F C -0.069 175.529 175.800 -0.336 0.000 1.066 777 F CA -1.311 56.584 58.000 -0.175 0.000 0.946 777 F CB 1.890 40.880 39.000 -0.017 0.000 1.199 777 F HN -0.120 nan 8.300 nan 0.000 0.473 778 V N 2.333 122.107 119.914 -0.234 0.000 2.577 778 V HA 0.294 4.414 4.120 0.001 0.000 0.303 778 V C -1.604 174.380 176.094 -0.184 0.000 1.042 778 V CA -0.939 61.174 62.300 -0.312 0.000 0.872 778 V CB 1.795 33.269 31.823 -0.583 0.000 0.998 778 V HN 0.609 nan 8.190 nan 0.000 0.423 779 Y N 4.209 124.345 120.300 -0.274 0.000 2.352 779 Y HA 0.654 5.204 4.550 0.001 0.000 0.339 779 Y C -0.172 175.604 175.900 -0.207 0.000 0.992 779 Y CA -0.406 57.544 58.100 -0.249 0.000 1.100 779 Y CB 1.691 39.998 38.460 -0.254 0.000 1.192 779 Y HN 0.692 nan 8.280 nan 0.000 0.458 780 Q N 5.222 124.571 119.800 -0.752 0.000 2.356 780 Q HA 0.512 4.853 4.340 0.001 0.000 0.270 780 Q C -1.614 173.967 176.000 -0.698 0.000 1.058 780 Q CA -0.765 54.730 55.803 -0.514 0.000 0.802 780 Q CB 1.662 30.247 28.738 -0.255 0.000 1.303 780 Q HN 0.727 nan 8.270 nan 0.000 0.444 781 Q N 1.801 121.349 119.800 -0.419 0.000 2.565 781 Q HA 0.489 4.829 4.340 0.001 0.000 0.294 781 Q C -1.531 174.458 176.000 -0.019 0.000 1.005 781 Q CA -0.675 54.952 55.803 -0.293 0.000 0.771 781 Q CB 2.500 30.989 28.738 -0.415 0.000 1.486 781 Q HN 0.722 nan 8.270 nan 0.000 0.422 782 R N 0.605 121.138 120.500 0.055 0.000 2.711 782 R HA 0.458 4.798 4.340 0.001 0.000 0.284 782 R C -0.933 175.483 176.300 0.194 0.000 0.968 782 R CA -0.378 55.787 56.100 0.109 0.000 0.924 782 R CB 1.289 31.627 30.300 0.063 0.000 1.162 782 R HN 0.684 nan 8.270 nan 0.000 0.465 783 N N 1.223 120.031 118.700 0.181 0.000 2.437 783 N HA 0.060 4.800 4.740 0.001 0.000 0.259 783 N C -0.208 175.371 175.510 0.116 0.000 0.983 783 N CA -0.310 52.851 53.050 0.185 0.000 0.937 783 N CB 1.147 39.680 38.487 0.077 0.000 1.122 783 N HN 0.591 nan 8.380 nan 0.000 0.499 784 E N 2.134 122.402 120.200 0.114 0.000 2.502 784 E HA -0.030 4.320 4.350 0.001 0.000 0.194 784 E C 0.742 177.351 176.600 0.015 0.000 1.062 784 E CA 0.207 56.643 56.400 0.061 0.000 0.867 784 E CB 0.536 30.273 29.700 0.062 0.000 0.888 784 E HN 0.434 nan 8.360 nan 0.000 0.510 785 V N 0.007 119.918 119.914 -0.005 0.000 2.911 785 V HA -0.003 4.117 4.120 0.001 0.000 0.237 785 V C 0.694 176.640 176.094 -0.246 0.000 1.156 785 V CA 0.342 62.560 62.300 -0.137 0.000 1.180 785 V CB 0.135 31.835 31.823 -0.205 0.000 0.932 785 V HN 0.256 nan 8.190 nan 0.000 0.483 786 H N 1.376 120.411 119.070 -0.058 0.000 2.527 786 H HA 0.250 4.807 4.556 0.001 0.000 0.321 786 H C -0.329 174.978 175.328 -0.034 0.000 1.087 786 H CA -0.123 55.892 56.048 -0.056 0.000 1.337 786 H CB 0.856 30.568 29.762 -0.083 0.000 1.440 786 H HN 0.109 nan 8.280 nan 0.000 0.490 787 N N 3.041 121.772 118.700 0.052 0.000 3.052 787 N HA -0.002 4.739 4.740 0.001 0.000 0.302 787 N C -1.045 174.488 175.510 0.040 0.000 1.332 787 N CA -0.121 52.948 53.050 0.032 0.000 1.129 787 N CB -0.345 38.143 38.487 0.002 0.000 1.436 787 N HN 0.506 nan 8.380 nan 0.000 0.536 788 N N -0.983 117.754 118.700 0.062 0.000 2.396 788 N HA 0.433 5.174 4.740 0.001 0.000 0.275 788 N C -1.400 174.140 175.510 0.050 0.000 1.218 788 N CA -0.452 52.625 53.050 0.046 0.000 0.812 788 N CB 1.204 39.716 38.487 0.041 0.000 1.592 788 N HN 0.027 nan 8.380 nan 0.000 0.480 789 C N 0.167 119.495 119.300 0.046 0.000 2.335 789 C HA 0.962 5.423 4.460 0.001 0.000 0.363 789 C C 0.933 175.963 174.990 0.067 0.000 1.198 789 C CA -0.367 58.685 59.018 0.057 0.000 2.279 789 C CB 0.644 28.412 27.740 0.046 0.000 2.334 789 C HN 0.716 nan 8.230 nan 0.000 0.559 790 G N 0.426 109.282 108.800 0.094 0.000 2.612 790 G HA2 0.778 4.738 3.960 0.001 0.000 0.298 790 G HA3 0.778 4.738 3.960 0.001 0.000 0.298 790 G C -1.709 173.284 174.900 0.155 0.000 1.336 790 G CA -0.241 44.937 45.100 0.130 0.000 0.953 790 G HN 0.828 nan 8.290 nan 0.000 0.482 791 I N -0.312 120.367 120.570 0.181 0.000 2.842 791 I HA 0.588 4.758 4.170 0.001 0.000 0.297 791 I C -1.819 174.455 176.117 0.263 0.000 1.380 791 I CA -0.753 60.673 61.300 0.211 0.000 1.018 791 I CB 2.538 40.604 38.000 0.110 0.000 1.311 791 I HN 0.625 nan 8.210 nan 0.000 0.439 792 E N 7.159 127.545 120.200 0.309 0.000 2.275 792 E HA 0.565 4.915 4.350 0.001 0.000 0.270 792 E C -1.830 174.973 176.600 0.338 0.000 0.882 792 E CA -0.622 55.972 56.400 0.322 0.000 0.758 792 E CB 1.988 31.862 29.700 0.291 0.000 1.195 792 E HN 0.531 nan 8.360 nan 0.000 0.419 793 I N 4.339 125.128 120.570 0.365 0.000 2.378 793 I HA 0.281 4.451 4.170 0.001 0.000 0.291 793 I C -1.222 175.088 176.117 0.322 0.000 0.992 793 I CA -1.047 60.426 61.300 0.289 0.000 1.154 793 I CB 1.198 39.353 38.000 0.258 0.000 1.315 793 I HN 0.537 nan 8.210 nan 0.000 0.448 794 Y N 7.407 127.724 120.300 0.029 0.000 2.328 794 Y HA 0.429 4.979 4.550 0.001 0.000 0.333 794 Y C -1.470 174.403 175.900 -0.045 0.000 0.958 794 Y CA -1.415 56.731 58.100 0.078 0.000 1.167 794 Y CB 0.821 39.363 38.460 0.137 0.000 1.151 794 Y HN 0.347 nan 8.280 nan 0.000 0.470 795 Y N 5.180 125.460 120.300 -0.033 0.000 2.717 795 Y HA 0.267 4.817 4.550 0.001 0.000 0.329 795 Y C 0.491 176.162 175.900 -0.382 0.000 1.017 795 Y CA -0.573 57.434 58.100 -0.156 0.000 1.275 795 Y CB 0.620 39.064 38.460 -0.026 0.000 1.109 795 Y HN 0.549 nan 8.280 nan 0.000 0.511 796 Q N 1.782 121.266 119.800 -0.527 0.000 2.300 796 Q HA 0.037 4.377 4.340 0.001 0.000 0.280 796 Q C 0.765 176.830 176.000 0.108 0.000 1.033 796 Q CA 0.626 56.198 55.803 -0.385 0.000 0.903 796 Q CB 1.012 29.616 28.738 -0.224 0.000 1.195 796 Q HN 0.855 nan 8.270 nan 0.000 0.386 797 T N 0.908 115.545 114.554 0.138 0.000 3.535 797 T HA 0.247 4.597 4.350 0.001 0.000 0.223 797 T C -0.006 174.847 174.700 0.255 0.000 0.933 797 T CA 0.594 62.833 62.100 0.232 0.000 1.445 797 T CB 0.176 69.218 68.868 0.289 0.000 1.286 797 T HN 0.676 nan 8.240 nan 0.000 0.436 798 D N -1.313 119.171 120.400 0.140 0.000 2.792 798 D HA 0.344 4.985 4.640 0.001 0.000 0.335 798 D C -1.266 174.951 176.300 -0.138 0.000 1.353 798 D CA -0.761 53.274 54.000 0.059 0.000 0.839 798 D CB 1.289 42.195 40.800 0.177 0.000 1.396 798 D HN 0.476 nan 8.370 nan 0.000 0.479 799 M N 1.058 120.543 119.600 -0.191 0.000 2.252 799 M HA 0.123 4.603 4.480 0.001 0.000 0.329 799 M C -0.191 176.045 176.300 -0.106 0.000 1.101 799 M CA 0.382 55.552 55.300 -0.217 0.000 1.117 799 M CB 0.411 32.946 32.600 -0.109 0.000 1.563 799 M HN 0.224 nan 8.290 nan 0.000 0.445 800 Q N 2.440 122.173 119.800 -0.112 0.000 2.337 800 Q HA 0.277 4.618 4.340 0.001 0.000 0.270 800 Q C -0.719 175.226 176.000 -0.092 0.000 1.002 800 Q CA 0.279 56.030 55.803 -0.088 0.000 0.888 800 Q CB 0.642 29.327 28.738 -0.089 0.000 1.222 800 Q HN 0.758 nan 8.270 nan 0.000 0.400 801 S N -0.059 115.574 115.700 -0.111 0.000 2.595 801 S HA 0.228 4.699 4.470 0.001 0.000 0.270 801 S C 0.441 174.912 174.600 -0.215 0.000 1.145 801 S CA -0.649 57.464 58.200 -0.145 0.000 0.825 801 S CB 1.177 64.297 63.200 -0.134 0.000 1.107 801 S HN 0.501 nan 8.310 nan 0.000 0.461 802 T N 2.397 116.787 114.554 -0.272 0.000 2.624 802 T HA -0.181 4.169 4.350 0.001 0.000 0.268 802 T C 2.217 176.559 174.700 -0.597 0.000 1.041 802 T CA 2.722 64.589 62.100 -0.388 0.000 1.159 802 T CB -0.957 67.638 68.868 -0.455 0.000 0.863 802 T HN 1.008 nan 8.240 nan 0.000 0.434 803 S N 1.615 116.851 115.700 -0.772 0.000 2.355 803 S HA -0.116 4.355 4.470 0.001 0.000 0.222 803 S C 1.957 176.093 174.600 -0.773 0.000 1.031 803 S CA 0.866 58.518 58.200 -0.913 0.000 0.993 803 S CB -0.405 62.375 63.200 -0.700 0.000 0.859 803 S HN 0.357 nan 8.310 nan 0.000 0.453 804 E N 2.046 122.014 120.200 -0.388 0.000 2.110 804 E HA -0.087 4.264 4.350 0.001 0.000 0.193 804 E C 1.983 178.499 176.600 -0.141 0.000 0.988 804 E CA 1.024 57.334 56.400 -0.150 0.000 0.804 804 E CB -0.751 28.941 29.700 -0.014 0.000 0.745 804 E HN 0.732 nan 8.360 nan 0.000 0.458 805 N N 0.031 118.637 118.700 -0.158 0.000 2.084 805 N HA -0.127 4.613 4.740 0.001 0.000 0.190 805 N C 1.698 177.163 175.510 -0.074 0.000 1.030 805 N CA 1.120 54.115 53.050 -0.092 0.000 0.849 805 N CB -0.058 38.371 38.487 -0.097 0.000 1.012 805 N HN 0.074 nan 8.380 nan 0.000 0.423 806 M N 0.056 119.593 119.600 -0.105 0.000 2.319 806 M HA 0.006 4.486 4.480 0.001 0.000 0.265 806 M C 1.574 177.885 176.300 0.018 0.000 1.068 806 M CA 1.017 56.306 55.300 -0.019 0.000 1.118 806 M CB -1.189 31.463 32.600 0.087 0.000 1.395 806 M HN 0.188 nan 8.290 nan 0.000 0.435 807 F N -0.059 119.783 119.950 -0.179 0.000 2.084 807 F HA -0.265 4.262 4.527 0.001 0.000 0.296 807 F C 2.304 177.795 175.800 -0.515 0.000 1.111 807 F CA 0.482 58.188 58.000 -0.489 0.000 1.224 807 F CB -0.332 38.066 39.000 -1.002 0.000 0.991 807 F HN 0.102 nan 8.300 nan 0.000 0.471 808 L N 0.741 121.843 121.223 -0.202 0.000 2.017 808 L HA -0.203 4.138 4.340 0.001 0.000 0.208 808 L C 2.060 179.030 176.870 0.167 0.000 1.073 808 L CA 1.896 56.778 54.840 0.071 0.000 0.745 808 L CB -0.783 41.359 42.059 0.138 0.000 0.894 808 L HN 0.076 nan 8.230 nan 0.000 0.432 809 E N -0.550 119.703 120.200 0.088 0.000 2.110 809 E HA -0.238 4.112 4.350 0.001 0.000 0.193 809 E C 2.300 178.942 176.600 0.070 0.000 0.988 809 E CA 1.353 57.798 56.400 0.074 0.000 0.804 809 E CB -0.256 29.465 29.700 0.036 0.000 0.745 809 E HN 0.536 nan 8.360 nan 0.000 0.458 810 L N 0.192 121.464 121.223 0.081 0.000 2.027 810 L HA -0.152 4.188 4.340 0.001 0.000 0.206 810 L C 2.336 179.251 176.870 0.074 0.000 1.074 810 L CA 1.102 55.971 54.840 0.048 0.000 0.745 810 L CB -0.191 41.910 42.059 0.070 0.000 0.898 810 L HN 0.157 nan 8.230 nan 0.000 0.433 811 F N 0.065 120.044 119.950 0.049 0.000 2.134 811 F HA -0.288 4.239 4.527 0.001 0.000 0.299 811 F C 2.516 178.335 175.800 0.032 0.000 1.097 811 F CA 1.840 59.892 58.000 0.087 0.000 1.264 811 F CB -0.466 38.687 39.000 0.255 0.000 1.001 811 F HN 0.134 nan 8.300 nan 0.000 0.479 812 C N 0.209 119.611 119.300 0.171 0.000 2.425 812 C HA -0.185 4.275 4.460 0.001 0.000 0.277 812 C C 2.736 177.656 174.990 -0.116 0.000 1.280 812 C CA 1.347 60.376 59.018 0.018 0.000 1.744 812 C CB -1.165 26.612 27.740 0.062 0.000 1.989 812 C HN 0.645 nan 8.230 nan 0.000 0.491 813 Q N 1.279 121.018 119.800 -0.102 0.000 2.084 813 Q HA -0.115 4.225 4.340 0.001 0.000 0.202 813 Q C 1.744 177.574 176.000 -0.284 0.000 0.978 813 Q CA 1.963 57.687 55.803 -0.131 0.000 0.844 813 Q CB -0.553 28.133 28.738 -0.087 0.000 0.898 813 Q HN 0.678 nan 8.270 nan 0.000 0.426 814 I N 0.483 120.778 120.570 -0.459 0.000 2.315 814 I HA -0.176 3.995 4.170 0.001 0.000 0.248 814 I C 2.114 177.955 176.117 -0.461 0.000 1.117 814 I CA 1.261 62.120 61.300 -0.735 0.000 1.404 814 I CB -0.304 37.333 38.000 -0.605 0.000 1.071 814 I HN 0.421 nan 8.210 nan 0.000 0.419 815 I N -3.519 116.815 120.570 -0.392 0.000 3.783 815 I HA 0.047 4.217 4.170 0.001 0.000 0.310 815 I C 2.326 178.446 176.117 0.005 0.000 1.274 815 I CA 0.309 61.513 61.300 -0.161 0.000 1.294 815 I CB 0.054 37.946 38.000 -0.180 0.000 1.051 815 I HN -0.045 nan 8.210 nan 0.000 0.435 816 S N 2.376 118.024 115.700 -0.087 0.000 2.392 816 S HA -0.335 4.135 4.470 0.001 0.000 0.225 816 S C 2.035 176.632 174.600 -0.006 0.000 1.041 816 S CA 2.660 60.818 58.200 -0.070 0.000 1.100 816 S CB -0.358 62.788 63.200 -0.090 0.000 1.029 816 S HN 0.806 nan 8.310 nan 0.000 0.424 817 E N 1.547 121.754 120.200 0.012 0.000 2.051 817 E HA -0.043 4.307 4.350 0.001 0.000 0.192 817 E C -0.633 176.039 176.600 0.121 0.000 0.991 817 E CA 1.934 58.367 56.400 0.056 0.000 0.799 817 E CB -1.522 28.207 29.700 0.048 0.000 0.748 817 E HN 0.419 nan 8.360 nan 0.000 0.449 818 P HA -0.115 nan 4.420 nan 0.000 0.218 818 P C 1.498 178.905 177.300 0.178 0.000 1.148 818 P CA 1.377 64.606 63.100 0.216 0.000 0.822 818 P CB -0.190 31.665 31.700 0.260 0.000 0.784 819 C N -1.683 117.631 119.300 0.022 0.000 2.453 819 C HA -0.123 4.338 4.460 0.001 0.000 0.277 819 C C 2.445 177.282 174.990 -0.256 0.000 1.262 819 C CA 0.403 59.101 59.018 -0.532 0.000 1.718 819 C CB -2.022 25.533 27.740 -0.310 0.000 2.031 819 C HN 0.151 nan 8.230 nan 0.000 0.480 820 F N 2.012 121.859 119.950 -0.172 0.000 2.134 820 F HA -0.072 4.455 4.527 0.001 0.000 0.299 820 F C 2.369 178.120 175.800 -0.081 0.000 1.097 820 F CA 2.176 60.107 58.000 -0.115 0.000 1.264 820 F CB -0.745 38.208 39.000 -0.079 0.000 1.001 820 F HN 0.347 nan 8.300 nan 0.000 0.479 821 N N -0.666 118.120 118.700 0.143 0.000 2.309 821 N HA -0.143 4.597 4.740 0.001 0.000 0.182 821 N C 1.452 176.943 175.510 -0.031 0.000 1.018 821 N CA 1.777 54.874 53.050 0.080 0.000 0.876 821 N CB -0.004 38.574 38.487 0.151 0.000 0.972 821 N HN 0.331 nan 8.380 nan 0.000 0.434 822 T N 0.952 115.471 114.554 -0.058 0.000 2.837 822 T HA 0.041 4.392 4.350 0.001 0.000 0.248 822 T C 1.902 176.522 174.700 -0.132 0.000 1.033 822 T CA 0.421 62.489 62.100 -0.054 0.000 1.150 822 T CB -0.092 68.792 68.868 0.028 0.000 0.865 822 T HN 0.021 nan 8.240 nan 0.000 0.425 823 L N 0.721 121.801 121.223 -0.238 0.000 2.156 823 L HA 0.171 4.512 4.340 0.001 0.000 0.208 823 L C 2.358 179.098 176.870 -0.216 0.000 1.095 823 L CA 1.475 56.184 54.840 -0.218 0.000 0.770 823 L CB -0.575 41.332 42.059 -0.254 0.000 0.914 823 L HN 0.148 nan 8.230 nan 0.000 0.439 824 R N -1.463 118.833 120.500 -0.340 0.000 2.040 824 R HA 0.004 4.344 4.340 0.001 0.000 0.209 824 R C 2.145 178.270 176.300 -0.292 0.000 1.281 824 R CA 1.053 56.916 56.100 -0.394 0.000 1.064 824 R CB -0.483 29.350 30.300 -0.779 0.000 0.950 824 R HN 0.097 nan 8.270 nan 0.000 0.462 825 T N 1.673 116.022 114.554 -0.342 0.000 2.635 825 T HA -0.156 4.195 4.350 0.001 0.000 0.267 825 T C 1.643 176.308 174.700 -0.059 0.000 1.040 825 T CA 1.866 63.885 62.100 -0.135 0.000 1.156 825 T CB -0.133 68.710 68.868 -0.042 0.000 0.863 825 T HN 0.273 nan 8.240 nan 0.000 0.430 826 K N 0.639 121.007 120.400 -0.055 0.000 1.995 826 K HA 0.022 4.342 4.320 0.001 0.000 0.207 826 K C 2.484 179.074 176.600 -0.017 0.000 1.041 826 K CA 1.121 57.398 56.287 -0.018 0.000 0.942 826 K CB -0.067 32.432 32.500 -0.001 0.000 0.731 826 K HN 0.368 nan 8.250 nan 0.000 0.439 827 E N 0.828 121.008 120.200 -0.032 0.000 2.371 827 E HA -0.057 4.293 4.350 0.001 0.000 0.194 827 E C -0.352 176.241 176.600 -0.011 0.000 1.012 827 E CA 0.036 56.430 56.400 -0.010 0.000 0.860 827 E CB 0.320 30.013 29.700 -0.011 0.000 0.811 827 E HN 0.152 nan 8.360 nan 0.000 0.502 828 Q N -0.208 119.564 119.800 -0.046 0.000 2.439 828 Q HA -0.226 4.115 4.340 0.001 0.000 0.325 828 Q C 0.845 176.836 176.000 -0.016 0.000 1.372 828 Q CA 0.539 56.319 55.803 -0.039 0.000 0.909 828 Q CB -1.919 26.812 28.738 -0.011 0.000 1.167 828 Q HN 0.454 nan 8.270 nan 0.000 0.418 829 L N -1.732 119.476 121.223 -0.025 0.000 2.156 829 L HA 0.043 4.383 4.340 0.001 0.000 0.208 829 L C 1.325 178.200 176.870 0.008 0.000 1.095 829 L CA 1.286 56.132 54.840 0.010 0.000 0.770 829 L CB 0.077 42.136 42.059 -0.000 0.000 0.914 829 L HN 0.486 nan 8.230 nan 0.000 0.439 830 G N -3.306 105.487 108.800 -0.012 0.000 2.368 830 G HA2 0.092 4.052 3.960 0.001 0.000 0.293 830 G HA3 0.092 4.052 3.960 0.001 0.000 0.293 830 G C -0.878 174.043 174.900 0.035 0.000 1.467 830 G CA -0.465 44.651 45.100 0.026 0.000 0.804 830 G HN -0.168 nan 8.290 nan 0.000 0.535 831 Y N 0.500 120.786 120.300 -0.024 0.000 2.242 831 Y HA 0.297 4.848 4.550 0.001 0.000 0.291 831 Y C 1.277 177.189 175.900 0.020 0.000 1.137 831 Y CA 1.104 59.210 58.100 0.010 0.000 1.181 831 Y CB 0.095 38.572 38.460 0.029 0.000 0.989 831 Y HN 0.288 nan 8.280 nan 0.000 0.527 832 I N 2.083 122.662 120.570 0.016 0.000 2.297 832 I HA 0.246 4.416 4.170 0.001 0.000 0.291 832 I C -1.153 174.948 176.117 -0.027 0.000 1.033 832 I CA -0.483 60.773 61.300 -0.073 0.000 1.253 832 I CB 0.863 38.783 38.000 -0.133 0.000 1.396 832 I HN -0.246 nan 8.210 nan 0.000 0.476 833 V N 7.773 127.694 119.914 0.012 0.000 2.524 833 V HA 0.422 4.542 4.120 0.001 0.000 0.297 833 V C -0.951 175.272 176.094 0.215 0.000 1.035 833 V CA -0.637 61.701 62.300 0.063 0.000 0.867 833 V CB 2.026 33.798 31.823 -0.085 0.000 1.004 833 V HN 0.485 nan 8.190 nan 0.000 0.426 834 F N 4.279 124.278 119.950 0.082 0.000 2.588 834 F HA 0.856 5.384 4.527 0.001 0.000 0.310 834 F C -0.158 175.698 175.800 0.092 0.000 1.082 834 F CA -0.074 57.978 58.000 0.087 0.000 0.929 834 F CB 2.367 41.406 39.000 0.065 0.000 1.254 834 F HN 0.520 nan 8.300 nan 0.000 0.455 835 S N 3.385 118.472 115.700 -1.022 0.000 2.588 835 S HA 1.023 5.493 4.470 0.001 0.000 0.275 835 S C -0.710 173.206 174.600 -1.140 0.000 1.130 835 S CA -0.139 57.527 58.200 -0.890 0.000 0.855 835 S CB 1.698 64.545 63.200 -0.587 0.000 1.116 835 S HN 1.856 nan 8.310 nan 0.000 0.472 836 G N 0.658 109.084 108.800 -0.622 0.000 2.337 836 G HA2 0.437 4.397 3.960 0.001 0.000 0.298 836 G HA3 0.437 4.397 3.960 0.001 0.000 0.298 836 G C -3.658 171.229 174.900 -0.021 0.000 1.335 836 G CA -0.564 44.359 45.100 -0.295 0.000 0.875 836 G HN 0.705 nan 8.290 nan 0.000 0.579 837 P HA 0.426 nan 4.420 nan 0.000 0.276 837 P C -0.883 176.520 177.300 0.172 0.000 1.244 837 P CA -0.270 62.916 63.100 0.143 0.000 0.801 837 P CB 1.602 33.374 31.700 0.120 0.000 1.006 838 R N 1.760 122.376 120.500 0.193 0.000 2.513 838 R HA 0.475 4.815 4.340 0.001 0.000 0.301 838 R C -0.771 175.595 176.300 0.111 0.000 0.968 838 R CA -0.785 55.397 56.100 0.137 0.000 0.872 838 R CB 1.249 31.604 30.300 0.092 0.000 1.177 838 R HN 0.396 nan 8.270 nan 0.000 0.444 839 R N 1.629 122.158 120.500 0.049 0.000 2.534 839 R HA 0.700 5.040 4.340 0.001 0.000 0.301 839 R C -1.565 174.728 176.300 -0.012 0.000 0.961 839 R CA -0.516 55.596 56.100 0.021 0.000 0.871 839 R CB 2.289 32.593 30.300 0.006 0.000 1.170 839 R HN 0.694 nan 8.270 nan 0.000 0.446 840 A N 2.585 125.394 122.820 -0.018 0.000 2.512 840 A HA 0.401 4.722 4.320 0.001 0.000 0.294 840 A C -0.993 176.581 177.584 -0.016 0.000 1.054 840 A CA -0.870 51.152 52.037 -0.025 0.000 0.756 840 A CB 0.784 19.759 19.000 -0.042 0.000 1.293 840 A HN 0.770 nan 8.150 nan 0.000 0.395 841 N N 1.093 119.791 118.700 -0.002 0.000 2.735 841 N HA -0.236 4.505 4.740 0.001 0.000 0.248 841 N C 1.111 176.604 175.510 -0.029 0.000 1.083 841 N CA 2.608 55.668 53.050 0.016 0.000 0.703 841 N CB -1.148 37.376 38.487 0.062 0.000 1.005 841 N HN 2.429 nan 8.380 nan 0.000 0.550 842 G N -1.884 106.879 108.800 -0.061 0.000 2.205 842 G HA2 -0.321 3.639 3.960 0.001 0.000 0.261 842 G HA3 -0.321 3.639 3.960 0.001 0.000 0.261 842 G C 0.155 174.972 174.900 -0.138 0.000 0.980 842 G CA 0.644 45.689 45.100 -0.093 0.000 0.632 842 G HN 0.423 nan 8.290 nan 0.000 0.533 843 I N 0.755 121.233 120.570 -0.154 0.000 2.924 843 I HA 0.694 4.864 4.170 0.001 0.000 0.316 843 I C 0.541 176.615 176.117 -0.072 0.000 1.014 843 I CA -0.695 60.461 61.300 -0.240 0.000 1.106 843 I CB 1.275 39.046 38.000 -0.381 0.000 1.311 843 I HN 0.643 nan 8.210 nan 0.000 0.502 844 Q N 1.122 120.913 119.800 -0.016 0.000 2.685 844 Q HA 0.789 5.130 4.340 0.001 0.000 0.301 844 Q C -1.090 175.044 176.000 0.223 0.000 0.924 844 Q CA -0.964 54.910 55.803 0.119 0.000 0.755 844 Q CB 2.663 31.445 28.738 0.073 0.000 1.470 844 Q HN 0.859 nan 8.270 nan 0.000 0.434 845 G N -0.067 108.918 108.800 0.308 0.000 2.320 845 G HA2 0.326 4.287 3.960 0.001 0.000 0.296 845 G HA3 0.326 4.287 3.960 0.001 0.000 0.296 845 G C -2.154 172.959 174.900 0.356 0.000 1.306 845 G CA -0.910 44.377 45.100 0.311 0.000 0.836 845 G HN 0.537 nan 8.290 nan 0.000 0.517 846 L N 0.761 122.180 121.223 0.327 0.000 2.307 846 L HA 0.810 5.151 4.340 0.001 0.000 0.282 846 L C 0.320 177.434 176.870 0.407 0.000 1.051 846 L CA -0.907 54.115 54.840 0.302 0.000 0.804 846 L CB 1.223 43.440 42.059 0.264 0.000 1.197 846 L HN 0.846 nan 8.230 nan 0.000 0.431 847 R N 2.903 123.535 120.500 0.220 0.000 2.744 847 R HA 0.656 4.996 4.340 0.001 0.000 0.279 847 R C -1.979 174.322 176.300 0.001 0.000 0.977 847 R CA -0.710 55.559 56.100 0.282 0.000 0.906 847 R CB 1.684 32.175 30.300 0.320 0.000 1.197 847 R HN 0.289 nan 8.270 nan 0.000 0.463 848 F N 1.919 122.073 119.950 0.341 0.000 2.540 848 F HA 0.588 5.115 4.527 0.001 0.000 0.317 848 F C -0.334 175.641 175.800 0.292 0.000 1.104 848 F CA -0.823 57.342 58.000 0.276 0.000 0.913 848 F CB 2.284 41.436 39.000 0.254 0.000 1.170 848 F HN 0.277 nan 8.300 nan 0.000 0.450 849 I N 4.816 125.676 120.570 0.484 0.000 2.533 849 I HA 0.546 4.717 4.170 0.001 0.000 0.290 849 I C -1.018 175.270 176.117 0.285 0.000 1.056 849 I CA -0.521 61.006 61.300 0.377 0.000 1.057 849 I CB 2.196 40.417 38.000 0.369 0.000 1.240 849 I HN 0.430 nan 8.210 nan 0.000 0.423 850 I N 5.062 125.757 120.570 0.209 0.000 2.722 850 I HA 0.359 4.529 4.170 0.001 0.000 0.295 850 I C -0.942 175.236 176.117 0.103 0.000 1.161 850 I CA -0.557 60.818 61.300 0.125 0.000 1.032 850 I CB 2.531 40.586 38.000 0.091 0.000 1.244 850 I HN 0.528 nan 8.210 nan 0.000 0.421 851 Q N 4.037 123.872 119.800 0.057 0.000 2.325 851 Q HA 0.683 5.023 4.340 0.001 0.000 0.270 851 Q C -1.322 174.704 176.000 0.044 0.000 1.020 851 Q CA -0.234 55.603 55.803 0.057 0.000 0.785 851 Q CB 2.068 30.825 28.738 0.033 0.000 1.259 851 Q HN 0.728 nan 8.270 nan 0.000 0.452 852 S N 1.825 117.551 115.700 0.044 0.000 2.625 852 S HA 0.190 4.660 4.470 0.001 0.000 0.271 852 S C -0.002 174.616 174.600 0.030 0.000 1.161 852 S CA -0.282 57.940 58.200 0.036 0.000 0.820 852 S CB 1.411 64.635 63.200 0.039 0.000 1.137 852 S HN 0.847 nan 8.310 nan 0.000 0.470 853 E N 0.995 121.207 120.200 0.020 0.000 2.442 853 E HA 0.154 4.505 4.350 0.001 0.000 0.195 853 E C -0.147 176.453 176.600 0.000 0.000 1.030 853 E CA 0.069 56.475 56.400 0.010 0.000 0.869 853 E CB 0.062 29.763 29.700 0.001 0.000 0.857 853 E HN 0.298 nan 8.360 nan 0.000 0.505 854 K N 2.960 123.363 120.400 0.006 0.000 2.237 854 K HA 0.193 4.513 4.320 0.001 0.000 0.270 854 K C -2.181 174.421 176.600 0.002 0.000 1.015 854 K CA -1.904 54.379 56.287 -0.008 0.000 0.949 854 K CB 0.647 33.192 32.500 0.074 0.000 0.976 854 K HN 0.131 nan 8.250 nan 0.000 0.472 855 P HA 0.060 nan 4.420 nan 0.000 0.269 855 P C -2.237 175.011 177.300 -0.087 0.000 1.209 855 P CA -1.289 61.792 63.100 -0.031 0.000 0.776 855 P CB 0.229 31.924 31.700 -0.007 0.000 0.876 856 P HA -0.227 nan 4.420 nan 0.000 0.215 856 P C 1.657 178.816 177.300 -0.235 0.000 1.157 856 P CA 1.817 64.760 63.100 -0.262 0.000 0.874 856 P CB -0.615 30.760 31.700 -0.542 0.000 0.790 857 H N -2.234 116.797 119.070 -0.066 0.000 2.421 857 H HA -0.173 4.384 4.556 0.001 0.000 0.298 857 H C 2.033 177.424 175.328 0.104 0.000 1.087 857 H CA 1.272 57.375 56.048 0.093 0.000 1.330 857 H CB -1.484 28.375 29.762 0.162 0.000 1.388 857 H HN 0.201 nan 8.280 nan 0.000 0.526 858 Y N 1.467 121.429 120.300 -0.564 0.000 2.220 858 Y HA -0.065 4.486 4.550 0.001 0.000 0.291 858 Y C 2.303 178.115 175.900 -0.147 0.000 1.129 858 Y CA 0.644 58.552 58.100 -0.320 0.000 1.161 858 Y CB -0.339 37.908 38.460 -0.356 0.000 0.997 858 Y HN 0.068 nan 8.280 nan 0.000 0.522 859 L N 0.795 121.923 121.223 -0.158 0.000 2.042 859 L HA -0.200 4.141 4.340 0.001 0.000 0.210 859 L C 2.458 179.231 176.870 -0.161 0.000 1.076 859 L CA 2.125 56.870 54.840 -0.157 0.000 0.749 859 L CB -1.296 40.727 42.059 -0.061 0.000 0.893 859 L HN 0.316 nan 8.230 nan 0.000 0.432 860 E N -0.569 119.580 120.200 -0.085 0.000 2.058 860 E HA -0.224 4.126 4.350 0.001 0.000 0.194 860 E C 2.333 178.890 176.600 -0.071 0.000 0.997 860 E CA 1.706 58.105 56.400 -0.002 0.000 0.801 860 E CB -0.072 29.730 29.700 0.169 0.000 0.746 860 E HN 0.567 nan 8.360 nan 0.000 0.450 861 S N 0.082 115.715 115.700 -0.112 0.000 2.368 861 S HA -0.164 4.306 4.470 0.001 0.000 0.225 861 S C 2.001 176.481 174.600 -0.200 0.000 1.030 861 S CA 0.736 58.853 58.200 -0.138 0.000 0.999 861 S CB -0.345 62.771 63.200 -0.141 0.000 0.844 861 S HN 0.155 nan 8.310 nan 0.000 0.459 862 R N 1.022 121.329 120.500 -0.321 0.000 2.081 862 R HA 0.069 4.410 4.340 0.001 0.000 0.235 862 R C 2.455 178.665 176.300 -0.151 0.000 1.131 862 R CA 1.268 57.206 56.100 -0.271 0.000 0.960 862 R CB -1.548 28.542 30.300 -0.351 0.000 0.856 862 R HN 0.462 nan 8.270 nan 0.000 0.436 863 V N 1.197 121.004 119.914 -0.179 0.000 2.407 863 V HA -0.208 3.912 4.120 0.001 0.000 0.248 863 V C 2.284 178.302 176.094 -0.127 0.000 1.055 863 V CA 1.805 63.966 62.300 -0.231 0.000 1.049 863 V CB -0.411 31.191 31.823 -0.369 0.000 0.662 863 V HN 0.209 nan 8.190 nan 0.000 0.455 864 E N 0.302 120.441 120.200 -0.101 0.000 2.106 864 E HA -0.114 4.236 4.350 0.001 0.000 0.192 864 E C 2.196 178.765 176.600 -0.052 0.000 0.984 864 E CA 1.368 57.725 56.400 -0.073 0.000 0.806 864 E CB -0.462 29.188 29.700 -0.084 0.000 0.750 864 E HN 0.545 nan 8.360 nan 0.000 0.458 865 A N -0.096 122.697 122.820 -0.045 0.000 1.898 865 A HA -0.145 4.175 4.320 0.001 0.000 0.216 865 A C 2.133 179.717 177.584 0.001 0.000 1.181 865 A CA 1.325 53.345 52.037 -0.028 0.000 0.620 865 A CB -0.882 18.098 19.000 -0.033 0.000 0.819 865 A HN 0.433 nan 8.150 nan 0.000 0.442 866 F N 0.359 120.245 119.950 -0.108 0.000 2.126 866 F HA -0.166 4.362 4.527 0.001 0.000 0.299 866 F C 1.736 177.506 175.800 -0.050 0.000 1.096 866 F CA 1.412 59.361 58.000 -0.085 0.000 1.255 866 F CB -0.305 38.627 39.000 -0.113 0.000 0.997 866 F HN 0.140 nan 8.300 nan 0.000 0.479 867 L N 0.617 121.704 121.223 -0.228 0.000 2.079 867 L HA -0.214 4.126 4.340 0.001 0.000 0.210 867 L C 2.411 179.165 176.870 -0.192 0.000 1.081 867 L CA 1.585 56.298 54.840 -0.212 0.000 0.752 867 L CB -1.180 40.880 42.059 0.002 0.000 0.896 867 L HN 0.263 nan 8.230 nan 0.000 0.433 868 I N -1.466 119.027 120.570 -0.127 0.000 2.315 868 I HA -0.287 3.884 4.170 0.001 0.000 0.248 868 I C 2.191 178.200 176.117 -0.180 0.000 1.117 868 I CA 1.247 62.486 61.300 -0.103 0.000 1.404 868 I CB -0.399 37.567 38.000 -0.058 0.000 1.071 868 I HN 0.234 nan 8.210 nan 0.000 0.419 869 T N 0.699 115.125 114.554 -0.213 0.000 2.746 869 T HA -0.148 4.203 4.350 0.001 0.000 0.267 869 T C 1.958 176.480 174.700 -0.296 0.000 1.039 869 T CA 1.185 63.163 62.100 -0.203 0.000 1.142 869 T CB -0.067 68.718 68.868 -0.138 0.000 0.866 869 T HN 0.118 nan 8.240 nan 0.000 0.444 870 M N 1.200 120.496 119.600 -0.506 0.000 2.086 870 M HA -0.054 4.426 4.480 0.001 0.000 0.261 870 M C 2.293 178.356 176.300 -0.396 0.000 1.067 870 M CA 1.385 56.383 55.300 -0.503 0.000 1.116 870 M CB -1.258 30.924 32.600 -0.698 0.000 1.348 870 M HN 0.395 nan 8.290 nan 0.000 0.407 871 E N 0.618 120.535 120.200 -0.472 0.000 2.048 871 E HA -0.281 4.069 4.350 0.001 0.000 0.202 871 E C 1.953 178.377 176.600 -0.293 0.000 1.021 871 E CA 2.076 58.159 56.400 -0.529 0.000 0.825 871 E CB -0.010 29.364 29.700 -0.542 0.000 0.756 871 E HN 0.465 nan 8.360 nan 0.000 0.454 872 K N 0.165 120.437 120.400 -0.215 0.000 2.074 872 K HA -0.153 4.167 4.320 0.001 0.000 0.209 872 K C 2.460 178.984 176.600 -0.126 0.000 1.048 872 K CA 1.461 57.664 56.287 -0.141 0.000 0.926 872 K CB -0.341 32.095 32.500 -0.107 0.000 0.713 872 K HN 0.038 nan 8.250 nan 0.000 0.444 873 S N 0.680 116.294 115.700 -0.142 0.000 2.399 873 S HA -0.099 4.371 4.470 0.001 0.000 0.231 873 S C 1.852 176.395 174.600 -0.094 0.000 1.022 873 S CA 0.988 59.124 58.200 -0.105 0.000 0.983 873 S CB -0.186 62.947 63.200 -0.112 0.000 0.803 873 S HN 0.207 nan 8.310 nan 0.000 0.480 874 I N 0.922 121.412 120.570 -0.134 0.000 2.286 874 I HA -0.083 4.088 4.170 0.001 0.000 0.245 874 I C 2.432 178.494 176.117 -0.093 0.000 1.104 874 I CA 1.134 62.375 61.300 -0.099 0.000 1.397 874 I CB -0.365 37.561 38.000 -0.122 0.000 1.072 874 I HN 0.342 nan 8.210 nan 0.000 0.417 875 E N 0.711 120.844 120.200 -0.112 0.000 2.204 875 E HA -0.216 4.135 4.350 0.001 0.000 0.195 875 E C 1.033 177.588 176.600 -0.074 0.000 0.990 875 E CA 1.049 57.391 56.400 -0.097 0.000 0.821 875 E CB -0.004 29.639 29.700 -0.094 0.000 0.750 875 E HN 0.454 nan 8.360 nan 0.000 0.477 876 D N -0.009 120.354 120.400 -0.062 0.000 2.367 876 D HA 0.035 4.675 4.640 0.001 0.000 0.207 876 D C 0.772 177.058 176.300 -0.024 0.000 1.034 876 D CA 0.128 54.103 54.000 -0.041 0.000 0.861 876 D CB 0.072 40.851 40.800 -0.035 0.000 0.943 876 D HN 0.241 nan 8.370 nan 0.000 0.515 877 M N 0.747 120.337 119.600 -0.016 0.000 2.243 877 M HA 0.215 4.695 4.480 0.001 0.000 0.341 877 M C 0.396 176.708 176.300 0.021 0.000 1.130 877 M CA -0.231 55.082 55.300 0.020 0.000 1.162 877 M CB 0.669 33.309 32.600 0.067 0.000 1.497 877 M HN -0.150 nan 8.290 nan 0.000 0.456 878 T N -0.921 113.655 114.554 0.036 0.000 2.868 878 T HA 0.192 4.543 4.350 0.001 0.000 0.292 878 T C 0.907 175.651 174.700 0.072 0.000 1.028 878 T CA -0.666 61.454 62.100 0.033 0.000 1.059 878 T CB 1.080 69.964 68.868 0.027 0.000 0.991 878 T HN 0.781 nan 8.240 nan 0.000 0.531 879 E N 0.415 120.650 120.200 0.057 0.000 2.118 879 E HA -0.169 4.182 4.350 0.001 0.000 0.195 879 E C 1.971 178.648 176.600 0.129 0.000 0.992 879 E CA 1.069 57.533 56.400 0.107 0.000 0.804 879 E CB -0.187 29.550 29.700 0.061 0.000 0.741 879 E HN 0.791 nan 8.360 nan 0.000 0.458 880 E N 0.093 120.333 120.200 0.067 0.000 2.038 880 E HA -0.191 4.160 4.350 0.001 0.000 0.195 880 E C 1.899 178.503 176.600 0.006 0.000 1.000 880 E CA 1.237 57.656 56.400 0.032 0.000 0.803 880 E CB -0.054 29.657 29.700 0.019 0.000 0.750 880 E HN 0.202 nan 8.360 nan 0.000 0.448 881 A N 0.514 123.348 122.820 0.024 0.000 1.898 881 A HA -0.174 4.146 4.320 0.001 0.000 0.216 881 A C 2.060 179.664 177.584 0.033 0.000 1.181 881 A CA 1.259 53.285 52.037 -0.018 0.000 0.620 881 A CB -0.863 18.158 19.000 0.034 0.000 0.819 881 A HN 0.362 nan 8.150 nan 0.000 0.442 882 F N 0.493 120.448 119.950 0.009 0.000 2.095 882 F HA -0.210 4.317 4.527 0.001 0.000 0.298 882 F C 2.379 178.193 175.800 0.023 0.000 1.104 882 F CA 2.342 60.375 58.000 0.054 0.000 1.232 882 F CB -0.388 38.627 39.000 0.025 0.000 0.987 882 F HN 0.259 nan 8.300 nan 0.000 0.475 883 Q N 0.774 120.565 119.800 -0.014 0.000 2.167 883 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 883 Q C 2.234 178.116 176.000 -0.197 0.000 0.970 883 Q CA 1.620 57.352 55.803 -0.118 0.000 0.855 883 Q CB -0.349 28.391 28.738 0.004 0.000 0.911 883 Q HN 0.442 nan 8.270 nan 0.000 0.438 884 K N -1.162 119.104 120.400 -0.224 0.000 2.097 884 K HA -0.185 4.135 4.320 0.001 0.000 0.206 884 K C 1.874 178.226 176.600 -0.414 0.000 1.049 884 K CA 1.249 57.326 56.287 -0.350 0.000 0.933 884 K CB -0.056 32.170 32.500 -0.455 0.000 0.717 884 K HN 0.374 nan 8.250 nan 0.000 0.442 885 H N 0.369 119.249 119.070 -0.316 0.000 2.357 885 H HA -0.062 4.494 4.556 0.001 0.000 0.301 885 H C 2.188 177.328 175.328 -0.312 0.000 1.082 885 H CA 1.422 57.280 56.048 -0.315 0.000 1.342 885 H CB -0.099 29.473 29.762 -0.318 0.000 1.389 885 H HN 0.202 nan 8.280 nan 0.000 0.511 886 I N 0.687 121.094 120.570 -0.273 0.000 2.208 886 I HA -0.293 3.877 4.170 0.001 0.000 0.245 886 I C 2.645 178.672 176.117 -0.149 0.000 1.097 886 I CA 1.338 62.491 61.300 -0.244 0.000 1.363 886 I CB -0.115 37.710 38.000 -0.291 0.000 1.051 886 I HN 0.174 nan 8.210 nan 0.000 0.413 887 Q N 1.032 120.739 119.800 -0.155 0.000 2.119 887 Q HA -0.102 4.238 4.340 0.001 0.000 0.201 887 Q C 2.125 178.061 176.000 -0.107 0.000 0.972 887 Q CA 1.933 57.669 55.803 -0.111 0.000 0.847 887 Q CB -0.260 28.410 28.738 -0.113 0.000 0.903 887 Q HN 0.485 nan 8.270 nan 0.000 0.433 888 A N 0.268 122.995 122.820 -0.156 0.000 1.877 888 A HA -0.156 4.165 4.320 0.001 0.000 0.216 888 A C 2.119 179.662 177.584 -0.068 0.000 1.186 888 A CA 1.385 53.340 52.037 -0.136 0.000 0.620 888 A CB -0.849 18.045 19.000 -0.176 0.000 0.822 888 A HN 0.481 nan 8.150 nan 0.000 0.443 889 L N -0.885 120.301 121.223 -0.061 0.000 2.056 889 L HA -0.150 4.191 4.340 0.001 0.000 0.207 889 L C 2.999 179.855 176.870 -0.023 0.000 1.078 889 L CA 1.188 56.007 54.840 -0.036 0.000 0.749 889 L CB -0.460 41.574 42.059 -0.041 0.000 0.901 889 L HN 0.448 nan 8.230 nan 0.000 0.433 890 A N 0.381 123.182 122.820 -0.031 0.000 1.892 890 A HA -0.269 4.051 4.320 0.001 0.000 0.218 890 A C 2.074 179.662 177.584 0.007 0.000 1.188 890 A CA 2.080 54.110 52.037 -0.011 0.000 0.631 890 A CB -0.800 18.189 19.000 -0.018 0.000 0.822 890 A HN 0.476 nan 8.150 nan 0.000 0.447 891 I N -1.185 119.389 120.570 0.006 0.000 2.252 891 I HA -0.247 3.923 4.170 0.001 0.000 0.245 891 I C 2.791 178.928 176.117 0.032 0.000 1.102 891 I CA 1.272 62.591 61.300 0.031 0.000 1.385 891 I CB -0.339 37.684 38.000 0.038 0.000 1.064 891 I HN 0.280 nan 8.210 nan 0.000 0.414 892 R N 0.343 120.854 120.500 0.018 0.000 2.083 892 R HA -0.124 4.216 4.340 0.001 0.000 0.237 892 R C 2.411 178.725 176.300 0.024 0.000 1.137 892 R CA 1.160 57.273 56.100 0.022 0.000 0.951 892 R CB -0.269 30.039 30.300 0.012 0.000 0.851 892 R HN 0.256 nan 8.270 nan 0.000 0.434 893 R N 0.562 121.073 120.500 0.018 0.000 2.148 893 R HA -0.001 4.339 4.340 0.001 0.000 0.223 893 R C 2.058 178.374 176.300 0.027 0.000 1.088 893 R CA 0.897 57.009 56.100 0.019 0.000 0.985 893 R CB -0.273 30.036 30.300 0.014 0.000 0.880 893 R HN 0.304 nan 8.270 nan 0.000 0.451 894 L N 0.656 121.899 121.223 0.032 0.000 2.567 894 L HA 0.066 4.406 4.340 0.001 0.000 0.225 894 L C 0.318 177.214 176.870 0.042 0.000 1.119 894 L CA -0.267 54.597 54.840 0.040 0.000 0.871 894 L CB -0.175 41.910 42.059 0.042 0.000 1.036 894 L HN -0.037 nan 8.230 nan 0.000 0.459 895 D N 2.117 122.542 120.400 0.042 0.000 2.502 895 D HA -0.042 4.598 4.640 0.001 0.000 0.249 895 D C 0.079 176.402 176.300 0.037 0.000 1.188 895 D CA 0.509 54.535 54.000 0.043 0.000 0.890 895 D CB 0.646 41.472 40.800 0.043 0.000 1.140 895 D HN -0.209 nan 8.370 nan 0.000 0.505 896 K N 5.204 125.626 120.400 0.037 0.000 2.144 896 K HA 0.327 4.648 4.320 0.001 0.000 0.270 896 K C -2.102 174.531 176.600 0.054 0.000 1.005 896 K CA -1.849 54.464 56.287 0.042 0.000 0.932 896 K CB 0.606 33.126 32.500 0.034 0.000 1.021 896 K HN 0.452 nan 8.250 nan 0.000 0.462 897 P HA 0.041 nan 4.420 nan 0.000 0.266 897 P C -0.030 177.366 177.300 0.159 0.000 1.195 897 P CA -0.063 63.086 63.100 0.081 0.000 0.768 897 P CB 0.646 32.396 31.700 0.084 0.000 0.838 898 K N 1.545 121.974 120.400 0.049 0.000 2.352 898 K HA 0.067 4.387 4.320 0.001 0.000 0.194 898 K C 0.980 177.501 176.600 -0.132 0.000 1.038 898 K CA 0.940 57.264 56.287 0.061 0.000 1.023 898 K CB 0.162 32.640 32.500 -0.037 0.000 0.840 898 K HN 0.612 nan 8.250 nan 0.000 0.519 899 K N -0.696 119.408 120.400 -0.493 0.000 2.480 899 K HA 0.277 4.598 4.320 0.001 0.000 0.258 899 K C 0.636 176.453 176.600 -1.306 0.000 0.990 899 K CA -0.784 54.868 56.287 -1.059 0.000 0.857 899 K CB 1.406 33.586 32.500 -0.532 0.000 1.384 899 K HN -0.232 nan 8.250 nan 0.000 0.446 900 L N 1.817 122.197 121.223 -1.405 0.000 2.013 900 L HA -0.252 4.089 4.340 0.001 0.000 0.212 900 L C 2.358 179.010 176.870 -0.364 0.000 1.073 900 L CA 2.826 57.228 54.840 -0.729 0.000 0.753 900 L CB -0.663 41.097 42.059 -0.497 0.000 0.890 900 L HN 0.971 nan 8.230 nan 0.000 0.432 901 S N -0.878 114.628 115.700 -0.323 0.000 2.419 901 S HA -0.129 4.341 4.470 0.001 0.000 0.233 901 S C 2.042 176.557 174.600 -0.141 0.000 1.016 901 S CA 0.870 58.955 58.200 -0.192 0.000 0.974 901 S CB -0.880 62.216 63.200 -0.174 0.000 0.786 901 S HN 0.532 nan 8.310 nan 0.000 0.492 902 A N 1.436 124.150 122.820 -0.177 0.000 1.930 902 A HA 0.045 4.366 4.320 0.001 0.000 0.215 902 A C 2.206 179.729 177.584 -0.102 0.000 1.176 902 A CA 1.234 53.202 52.037 -0.116 0.000 0.632 902 A CB -0.663 18.269 19.000 -0.114 0.000 0.819 902 A HN 0.643 nan 8.150 nan 0.000 0.445 903 E N -0.664 119.478 120.200 -0.097 0.000 2.072 903 E HA -0.188 4.163 4.350 0.001 0.000 0.190 903 E C 2.080 178.487 176.600 -0.322 0.000 0.982 903 E CA 1.198 57.505 56.400 -0.157 0.000 0.803 903 E CB -0.233 29.529 29.700 0.103 0.000 0.755 903 E HN 0.602 nan 8.360 nan 0.000 0.453 904 C N 0.497 119.782 119.300 -0.024 0.000 2.432 904 C HA -0.067 4.393 4.460 0.001 0.000 0.277 904 C C 2.904 177.951 174.990 0.095 0.000 1.249 904 C CA 1.372 60.474 59.018 0.141 0.000 1.725 904 C CB -1.111 26.720 27.740 0.151 0.000 2.028 904 C HN 0.572 nan 8.230 nan 0.000 0.477 905 A N 0.230 123.073 122.820 0.038 0.000 1.948 905 A HA -0.234 4.087 4.320 0.001 0.000 0.220 905 A C 2.182 179.830 177.584 0.107 0.000 1.177 905 A CA 2.125 54.223 52.037 0.103 0.000 0.636 905 A CB -0.595 18.428 19.000 0.039 0.000 0.815 905 A HN 0.789 nan 8.150 nan 0.000 0.449 906 K N -1.420 118.968 120.400 -0.020 0.000 2.057 906 K HA -0.109 4.211 4.320 0.001 0.000 0.206 906 K C 1.879 178.553 176.600 0.124 0.000 1.050 906 K CA 1.721 57.998 56.287 -0.017 0.000 0.935 906 K CB -0.377 32.050 32.500 -0.121 0.000 0.715 906 K HN 0.728 nan 8.250 nan 0.000 0.439 907 Y N -0.512 119.888 120.300 0.166 0.000 2.145 907 Y HA -0.276 4.274 4.550 0.001 0.000 0.286 907 Y C 2.383 178.435 175.900 0.253 0.000 1.145 907 Y CA 0.368 58.604 58.100 0.226 0.000 1.148 907 Y CB -0.205 38.283 38.460 0.046 0.000 0.981 907 Y HN 0.315 nan 8.280 nan 0.000 0.507 908 W N 1.302 122.703 121.300 0.168 0.000 2.342 908 W HA -0.203 4.458 4.660 0.001 0.000 0.297 908 W C 2.136 178.650 176.519 -0.008 0.000 1.213 908 W CA 1.346 58.735 57.345 0.074 0.000 1.251 908 W CB -0.423 29.078 29.460 0.069 0.000 1.136 908 W HN 0.158 nan 8.180 nan 0.000 0.526 909 G N 0.427 109.253 108.800 0.042 0.000 2.440 909 G HA2 -0.300 3.660 3.960 0.001 0.000 0.218 909 G HA3 -0.300 3.660 3.960 0.001 0.000 0.218 909 G C 1.300 176.049 174.900 -0.253 0.000 1.154 909 G CA 1.022 46.047 45.100 -0.124 0.000 0.767 909 G HN 0.217 nan 8.290 nan 0.000 0.552 910 E N 0.358 120.426 120.200 -0.221 0.000 2.106 910 E HA -0.018 4.332 4.350 0.001 0.000 0.192 910 E C 2.598 178.757 176.600 -0.735 0.000 0.984 910 E CA 0.419 56.553 56.400 -0.443 0.000 0.806 910 E CB -0.112 29.292 29.700 -0.493 0.000 0.750 910 E HN 0.537 nan 8.360 nan 0.000 0.458 911 I N 0.806 121.013 120.570 -0.604 0.000 2.233 911 I HA -0.203 3.967 4.170 0.001 0.000 0.243 911 I C 2.216 177.897 176.117 -0.727 0.000 1.093 911 I CA 0.538 61.391 61.300 -0.744 0.000 1.380 911 I CB -0.159 37.567 38.000 -0.456 0.000 1.067 911 I HN 0.037 nan 8.210 nan 0.000 0.413 912 I N 1.009 121.125 120.570 -0.757 0.000 2.226 912 I HA -0.236 3.934 4.170 0.001 0.000 0.245 912 I C 2.760 178.642 176.117 -0.392 0.000 1.100 912 I CA 1.875 62.814 61.300 -0.602 0.000 1.374 912 I CB -1.340 36.261 38.000 -0.664 0.000 1.057 912 I HN 0.314 nan 8.210 nan 0.000 0.413 913 S N 0.297 115.750 115.700 -0.412 0.000 2.522 913 S HA -0.109 4.362 4.470 0.001 0.000 0.227 913 S C 0.969 175.337 174.600 -0.386 0.000 0.986 913 S CA 0.088 58.097 58.200 -0.318 0.000 0.929 913 S CB -0.298 62.733 63.200 -0.282 0.000 0.769 913 S HN 0.561 nan 8.310 nan 0.000 0.529 914 Q N -0.338 119.081 119.800 -0.635 0.000 2.494 914 Q HA -0.245 4.096 4.340 0.001 0.000 0.272 914 Q C 0.560 176.168 176.000 -0.655 0.000 1.145 914 Q CA 1.056 56.372 55.803 -0.810 0.000 0.943 914 Q CB -1.950 26.622 28.738 -0.277 0.000 1.338 914 Q HN 0.760 nan 8.270 nan 0.000 0.492 915 Q N -1.229 118.154 119.800 -0.695 0.000 2.396 915 Q HA 0.038 4.378 4.340 0.001 0.000 0.220 915 Q C -0.373 175.437 176.000 -0.316 0.000 0.900 915 Q CA 0.238 55.832 55.803 -0.348 0.000 0.925 915 Q CB 0.507 29.074 28.738 -0.285 0.000 1.065 915 Q HN 0.534 nan 8.270 nan 0.000 0.535 916 Y N 0.539 120.516 120.300 -0.538 0.000 3.225 916 Y HA -0.252 4.299 4.550 0.001 0.000 0.211 916 Y C 0.129 175.392 175.900 -1.060 0.000 1.223 916 Y CA 0.298 57.809 58.100 -0.983 0.000 1.284 916 Y CB -2.012 36.023 38.460 -0.708 0.000 1.367 916 Y HN 0.142 nan 8.280 nan 0.000 0.566 917 N N 0.774 119.037 118.700 -0.727 0.000 3.083 917 N HA 0.174 4.914 4.740 0.001 0.000 0.260 917 N C 0.410 175.567 175.510 -0.588 0.000 1.163 917 N CA -0.370 52.283 53.050 -0.662 0.000 1.060 917 N CB -0.339 37.917 38.487 -0.385 0.000 1.345 917 N HN 0.185 nan 8.380 nan 0.000 0.515 918 F N -0.155 119.506 119.950 -0.482 0.000 2.451 918 F HA -0.006 4.521 4.527 0.001 0.000 0.299 918 F C 1.681 176.946 175.800 -0.890 0.000 1.101 918 F CA 0.505 58.140 58.000 -0.609 0.000 1.436 918 F CB 0.001 38.542 39.000 -0.765 0.000 1.074 918 F HN 0.333 nan 8.300 nan 0.000 0.553 919 D N -0.582 119.481 120.400 -0.561 0.000 2.501 919 D HA 0.059 4.699 4.640 0.001 0.000 0.226 919 D C 2.052 178.265 176.300 -0.146 0.000 1.198 919 D CA -0.076 53.724 54.000 -0.335 0.000 0.830 919 D CB -0.074 40.627 40.800 -0.165 0.000 1.014 919 D HN 0.027 nan 8.370 nan 0.000 0.496 920 R N 0.362 120.761 120.500 -0.169 0.000 2.094 920 R HA -0.177 4.163 4.340 0.001 0.000 0.239 920 R C 0.847 177.121 176.300 -0.043 0.000 1.137 920 R CA 1.924 57.957 56.100 -0.112 0.000 0.943 920 R CB -0.042 30.183 30.300 -0.124 0.000 0.850 920 R HN 0.129 nan 8.270 nan 0.000 0.433 921 D N 0.170 120.564 120.400 -0.010 0.000 2.116 921 D HA -0.184 4.456 4.640 0.001 0.000 0.193 921 D C 1.669 177.988 176.300 0.032 0.000 0.998 921 D CA 1.852 55.863 54.000 0.018 0.000 0.836 921 D CB -0.657 40.167 40.800 0.041 0.000 0.951 921 D HN 0.465 nan 8.370 nan 0.000 0.449 922 N N -0.243 118.487 118.700 0.049 0.000 2.084 922 N HA -0.115 4.625 4.740 0.001 0.000 0.190 922 N C 1.813 177.351 175.510 0.046 0.000 1.030 922 N CA 1.742 54.826 53.050 0.057 0.000 0.849 922 N CB -0.162 38.374 38.487 0.082 0.000 1.012 922 N HN 0.086 nan 8.380 nan 0.000 0.423 923 T N 1.052 115.625 114.554 0.031 0.000 2.622 923 T HA -0.154 4.197 4.350 0.001 0.000 0.266 923 T C 1.575 176.301 174.700 0.044 0.000 1.047 923 T CA 1.274 63.392 62.100 0.030 0.000 1.159 923 T CB -0.409 68.459 68.868 -0.000 0.000 0.863 923 T HN 0.308 nan 8.240 nan 0.000 0.422 924 E N 0.373 120.585 120.200 0.020 0.000 2.118 924 E HA -0.101 4.249 4.350 0.001 0.000 0.195 924 E C 2.358 179.005 176.600 0.078 0.000 0.992 924 E CA 0.958 57.382 56.400 0.039 0.000 0.804 924 E CB -0.256 29.442 29.700 -0.005 0.000 0.741 924 E HN 0.235 nan 8.360 nan 0.000 0.458 925 V N 1.196 121.139 119.914 0.049 0.000 2.427 925 V HA -0.230 3.890 4.120 0.001 0.000 0.248 925 V C 2.283 178.401 176.094 0.041 0.000 1.051 925 V CA 1.643 63.965 62.300 0.037 0.000 1.048 925 V CB -0.573 31.267 31.823 0.028 0.000 0.666 925 V HN 0.306 nan 8.190 nan 0.000 0.456 926 A N -0.716 122.139 122.820 0.058 0.000 1.902 926 A HA -0.280 4.040 4.320 0.001 0.000 0.217 926 A C 2.168 179.791 177.584 0.066 0.000 1.181 926 A CA 2.144 54.215 52.037 0.056 0.000 0.623 926 A CB -0.760 18.279 19.000 0.066 0.000 0.818 926 A HN 0.642 nan 8.150 nan 0.000 0.443 927 Y N -0.022 120.264 120.300 -0.024 0.000 2.242 927 Y HA -0.081 4.469 4.550 0.001 0.000 0.291 927 Y C 1.979 177.860 175.900 -0.032 0.000 1.137 927 Y CA 1.418 59.496 58.100 -0.037 0.000 1.181 927 Y CB -0.210 38.206 38.460 -0.073 0.000 0.989 927 Y HN 0.258 nan 8.280 nan 0.000 0.527 928 L N 0.571 121.779 121.223 -0.026 0.000 2.013 928 L HA -0.294 4.046 4.340 0.001 0.000 0.212 928 L C 1.966 178.763 176.870 -0.122 0.000 1.073 928 L CA 2.010 56.801 54.840 -0.081 0.000 0.753 928 L CB -0.405 41.645 42.059 -0.015 0.000 0.890 928 L HN 0.236 nan 8.230 nan 0.000 0.432 929 K N -0.915 119.436 120.400 -0.082 0.000 2.519 929 K HA -0.126 4.194 4.320 0.001 0.000 0.196 929 K C 1.590 178.150 176.600 -0.066 0.000 1.041 929 K CA 1.458 57.707 56.287 -0.062 0.000 0.954 929 K CB -0.187 32.294 32.500 -0.032 0.000 0.774 929 K HN 0.569 nan 8.250 nan 0.000 0.480 930 T N -1.892 112.576 114.554 -0.143 0.000 3.022 930 T HA 0.130 4.481 4.350 0.001 0.000 0.250 930 T C 0.535 175.173 174.700 -0.105 0.000 1.060 930 T CA -0.406 61.617 62.100 -0.128 0.000 1.013 930 T CB 0.068 68.829 68.868 -0.179 0.000 0.982 930 T HN -0.162 nan 8.240 nan 0.000 0.508 931 L N 3.848 125.004 121.223 -0.113 0.000 2.485 931 L HA 0.392 4.732 4.340 0.001 0.000 0.275 931 L C 1.033 178.042 176.870 0.231 0.000 1.207 931 L CA 0.547 55.419 54.840 0.053 0.000 0.855 931 L CB 0.821 42.954 42.059 0.123 0.000 1.114 931 L HN 0.487 nan 8.230 nan 0.000 0.485 932 T N -1.144 113.526 114.554 0.193 0.000 2.940 932 T HA 0.357 4.707 4.350 0.001 0.000 0.288 932 T C 0.877 175.429 174.700 -0.245 0.000 1.045 932 T CA -0.849 61.294 62.100 0.072 0.000 1.018 932 T CB 1.220 70.072 68.868 -0.026 0.000 1.151 932 T HN 0.541 nan 8.240 nan 0.000 0.529 933 K N 0.056 119.918 120.400 -0.897 0.000 2.147 933 K HA -0.150 4.170 4.320 0.001 0.000 0.205 933 K C 2.111 178.474 176.600 -0.394 0.000 1.049 933 K CA 1.595 57.217 56.287 -1.109 0.000 0.936 933 K CB -0.108 31.791 32.500 -1.003 0.000 0.722 933 K HN 0.820 nan 8.250 nan 0.000 0.446 934 E N 0.471 120.522 120.200 -0.249 0.000 2.077 934 E HA -0.210 4.140 4.350 0.001 0.000 0.193 934 E C 1.219 177.771 176.600 -0.081 0.000 0.989 934 E CA 1.481 57.803 56.400 -0.130 0.000 0.800 934 E CB 0.098 29.743 29.700 -0.091 0.000 0.746 934 E HN 0.314 nan 8.360 nan 0.000 0.452 935 D N 0.804 121.169 120.400 -0.058 0.000 2.104 935 D HA -0.180 4.460 4.640 0.001 0.000 0.194 935 D C 1.999 178.228 176.300 -0.120 0.000 0.994 935 D CA 0.873 54.832 54.000 -0.067 0.000 0.830 935 D CB -0.129 40.700 40.800 0.047 0.000 0.959 935 D HN 0.279 nan 8.370 nan 0.000 0.452 936 I N 1.412 121.984 120.570 0.004 0.000 2.286 936 I HA -0.198 3.973 4.170 0.001 0.000 0.248 936 I C 2.402 178.605 176.117 0.143 0.000 1.115 936 I CA 0.654 62.034 61.300 0.134 0.000 1.392 936 I CB -0.789 37.378 38.000 0.278 0.000 1.065 936 I HN 0.024 nan 8.210 nan 0.000 0.418 937 I N 1.027 121.622 120.570 0.042 0.000 2.226 937 I HA -0.250 3.920 4.170 0.001 0.000 0.245 937 I C 2.400 178.547 176.117 0.049 0.000 1.100 937 I CA 1.342 62.665 61.300 0.038 0.000 1.374 937 I CB -1.109 36.874 38.000 -0.029 0.000 1.057 937 I HN 0.285 nan 8.210 nan 0.000 0.413 938 K N 0.258 120.653 120.400 -0.010 0.000 2.057 938 K HA -0.201 4.119 4.320 0.001 0.000 0.207 938 K C 2.172 178.733 176.600 -0.064 0.000 1.049 938 K CA 1.339 57.602 56.287 -0.040 0.000 0.931 938 K CB -0.464 32.002 32.500 -0.057 0.000 0.714 938 K HN 0.137 nan 8.250 nan 0.000 0.440 939 F N 1.121 120.916 119.950 -0.257 0.000 2.126 939 F HA -0.289 4.239 4.527 0.001 0.000 0.299 939 F C 2.214 177.874 175.800 -0.233 0.000 1.096 939 F CA 1.401 59.211 58.000 -0.317 0.000 1.255 939 F CB -0.592 38.122 39.000 -0.477 0.000 0.997 939 F HN 0.072 nan 8.300 nan 0.000 0.479 940 Y N 1.058 121.093 120.300 -0.442 0.000 2.293 940 Y HA -0.081 4.469 4.550 0.001 0.000 0.291 940 Y C 2.204 177.859 175.900 -0.410 0.000 1.137 940 Y CA 1.850 59.614 58.100 -0.560 0.000 1.202 940 Y CB -0.440 37.852 38.460 -0.281 0.000 0.990 940 Y HN 0.027 nan 8.280 nan 0.000 0.537 941 K N -0.074 120.199 120.400 -0.212 0.000 2.217 941 K HA -0.139 4.181 4.320 0.001 0.000 0.202 941 K C 1.944 178.366 176.600 -0.296 0.000 1.051 941 K CA 1.382 57.534 56.287 -0.224 0.000 0.952 941 K CB 0.001 32.467 32.500 -0.057 0.000 0.736 941 K HN 0.433 nan 8.250 nan 0.000 0.453 942 E N -0.409 119.612 120.200 -0.299 0.000 2.307 942 E HA -0.007 4.344 4.350 0.001 0.000 0.195 942 E C 1.490 177.886 176.600 -0.339 0.000 0.975 942 E CA 0.366 56.614 56.400 -0.253 0.000 0.878 942 E CB 0.472 30.082 29.700 -0.150 0.000 0.845 942 E HN 0.102 nan 8.360 nan 0.000 0.488 943 M N -0.473 118.814 119.600 -0.521 0.000 2.740 943 M HA 0.151 4.631 4.480 0.001 0.000 0.253 943 M C 1.888 177.829 176.300 -0.598 0.000 1.341 943 M CA 0.562 55.532 55.300 -0.550 0.000 1.176 943 M CB -0.020 32.181 32.600 -0.664 0.000 1.310 943 M HN 0.087 nan 8.290 nan 0.000 0.531 944 L N -0.286 120.446 121.223 -0.819 0.000 2.500 944 L HA 0.406 4.747 4.340 0.001 0.000 0.219 944 L C 1.264 177.604 176.870 -0.883 0.000 1.057 944 L CA -0.209 54.128 54.840 -0.838 0.000 0.854 944 L CB -0.502 40.987 42.059 -0.949 0.000 1.078 944 L HN 0.069 nan 8.230 nan 0.000 0.480 945 A N 0.533 122.654 122.820 -1.166 0.000 2.586 945 A HA -0.009 4.312 4.320 0.001 0.000 0.231 945 A C 1.450 178.769 177.584 -0.441 0.000 1.055 945 A CA 0.419 51.925 52.037 -0.886 0.000 0.756 945 A CB 0.332 18.921 19.000 -0.685 0.000 0.988 945 A HN 0.049 nan 8.150 nan 0.000 0.509 946 V N 1.010 120.755 119.914 -0.280 0.000 2.453 946 V HA -0.175 3.946 4.120 0.001 0.000 0.252 946 V C 1.415 177.409 176.094 -0.166 0.000 1.068 946 V CA 2.827 65.013 62.300 -0.191 0.000 1.070 946 V CB -0.640 31.103 31.823 -0.133 0.000 0.664 946 V HN 1.047 nan 8.190 nan 0.000 0.461 947 D N -0.356 119.945 120.400 -0.165 0.000 2.559 947 D HA 0.296 4.936 4.640 0.001 0.000 0.234 947 D C 0.408 176.615 176.300 -0.157 0.000 1.226 947 D CA 0.351 54.273 54.000 -0.130 0.000 0.830 947 D CB -0.085 40.660 40.800 -0.091 0.000 1.028 947 D HN 0.457 nan 8.370 nan 0.000 0.492 948 A N 2.157 124.843 122.820 -0.224 0.000 2.477 948 A HA 0.327 4.647 4.320 0.001 0.000 0.246 948 A C -0.981 176.488 177.584 -0.192 0.000 1.078 948 A CA -0.861 51.025 52.037 -0.251 0.000 0.770 948 A CB 0.523 19.303 19.000 -0.366 0.000 1.011 948 A HN 0.102 nan 8.150 nan 0.000 0.494 949 P HA -0.082 nan 4.420 nan 0.000 0.223 949 P C 0.576 177.799 177.300 -0.129 0.000 1.151 949 P CA 1.058 64.091 63.100 -0.112 0.000 0.787 949 P CB 0.271 31.923 31.700 -0.079 0.000 0.788 950 R N -0.302 120.075 120.500 -0.206 0.000 2.700 950 R HA 0.229 4.570 4.340 0.001 0.000 0.377 950 R C 0.658 176.535 176.300 -0.706 0.000 1.130 950 R CA -0.499 55.412 56.100 -0.315 0.000 1.055 950 R CB 0.371 30.572 30.300 -0.165 0.000 1.387 950 R HN 0.109 nan 8.270 nan 0.000 0.580 951 R N 0.943 121.163 120.500 -0.466 0.000 2.489 951 R HA 0.045 4.385 4.340 0.001 0.000 0.287 951 R C -0.808 175.261 176.300 -0.386 0.000 1.053 951 R CA 0.331 56.193 56.100 -0.396 0.000 1.036 951 R CB 0.328 30.503 30.300 -0.208 0.000 0.966 951 R HN 0.274 nan 8.270 nan 0.000 0.432 952 H N 3.053 122.149 119.070 0.043 0.000 2.791 952 H HA 0.221 4.777 4.556 0.001 0.000 0.272 952 H C -0.748 174.610 175.328 0.049 0.000 1.188 952 H CA -0.693 55.403 56.048 0.080 0.000 1.436 952 H CB 1.125 30.928 29.762 0.069 0.000 1.467 952 H HN 0.268 nan 8.280 nan 0.000 0.500 953 K N 3.007 123.528 120.400 0.201 0.000 2.292 953 K HA 0.580 4.900 4.320 0.001 0.000 0.257 953 K C -1.276 175.559 176.600 0.392 0.000 0.940 953 K CA -0.969 55.378 56.287 0.100 0.000 0.811 953 K CB 1.988 34.398 32.500 -0.149 0.000 1.120 953 K HN 0.350 nan 8.250 nan 0.000 0.428 954 V N 1.767 121.870 119.914 0.314 0.000 2.709 954 V HA 0.628 4.748 4.120 0.001 0.000 0.308 954 V C -1.518 174.781 176.094 0.341 0.000 1.062 954 V CA -0.241 62.305 62.300 0.410 0.000 0.901 954 V CB 2.115 34.143 31.823 0.341 0.000 1.003 954 V HN 0.792 nan 8.190 nan 0.000 0.425 955 S N 4.388 120.296 115.700 0.346 0.000 2.500 955 S HA 0.777 5.247 4.470 0.001 0.000 0.301 955 S C -0.757 173.979 174.600 0.227 0.000 1.092 955 S CA -0.587 57.818 58.200 0.342 0.000 1.030 955 S CB 1.801 65.313 63.200 0.521 0.000 1.031 955 S HN 0.866 nan 8.310 nan 0.000 0.483 956 V N 4.171 124.287 119.914 0.337 0.000 2.357 956 V HA 0.370 4.490 4.120 0.001 0.000 0.284 956 V C -1.046 175.343 176.094 0.492 0.000 1.018 956 V CA -0.684 61.820 62.300 0.339 0.000 0.841 956 V CB 0.878 32.927 31.823 0.377 0.000 0.991 956 V HN 0.790 nan 8.190 nan 0.000 0.437 957 H N 3.267 122.417 119.070 0.133 0.000 2.541 957 H HA 0.566 5.122 4.556 0.001 0.000 0.316 957 H C -0.431 174.954 175.328 0.094 0.000 1.043 957 H CA -0.799 55.316 56.048 0.113 0.000 1.232 957 H CB 1.698 31.502 29.762 0.071 0.000 1.406 957 H HN 0.372 nan 8.280 nan 0.000 0.469 958 V N 5.904 125.968 119.914 0.250 0.000 2.334 958 V HA 0.213 4.333 4.120 0.001 0.000 0.281 958 V C 0.430 176.615 176.094 0.151 0.000 1.016 958 V CA -0.675 61.760 62.300 0.225 0.000 0.832 958 V CB 0.825 32.819 31.823 0.285 0.000 0.999 958 V HN 0.556 nan 8.190 nan 0.000 0.439 959 L N 3.608 124.904 121.223 0.122 0.000 2.418 959 L HA 0.628 4.969 4.340 0.001 0.000 0.265 959 L C 0.990 177.911 176.870 0.084 0.000 1.143 959 L CA -0.241 54.654 54.840 0.092 0.000 0.809 959 L CB 0.776 42.879 42.059 0.073 0.000 1.124 959 L HN 0.707 nan 8.230 nan 0.000 0.456 960 A N 1.861 124.721 122.820 0.067 0.000 2.366 960 A HA 0.179 4.500 4.320 0.001 0.000 0.249 960 A C 1.316 178.931 177.584 0.051 0.000 1.084 960 A CA -0.173 51.899 52.037 0.058 0.000 0.794 960 A CB 0.290 19.317 19.000 0.044 0.000 1.034 960 A HN 0.935 nan 8.150 nan 0.000 0.491 961 R N -0.026 120.501 120.500 0.045 0.000 2.112 961 R HA -0.165 4.175 4.340 0.001 0.000 0.242 961 R C 0.897 177.211 176.300 0.023 0.000 1.137 961 R CA 2.083 58.202 56.100 0.032 0.000 0.944 961 R CB -0.131 30.177 30.300 0.013 0.000 0.857 961 R HN 0.813 nan 8.270 nan 0.000 0.435 962 E N 0.128 120.338 120.200 0.017 0.000 2.516 962 E HA -0.070 4.280 4.350 0.001 0.000 0.199 962 E C 0.102 176.712 176.600 0.017 0.000 1.069 962 E CA 0.495 56.902 56.400 0.012 0.000 0.876 962 E CB -0.039 29.665 29.700 0.006 0.000 0.843 962 E HN 0.413 nan 8.360 nan 0.000 0.530 963 M N 0.587 120.202 119.600 0.025 0.000 2.084 963 M HA 0.126 4.606 4.480 0.001 0.000 0.351 963 M C 1.170 177.485 176.300 0.025 0.000 1.240 963 M CA 0.127 55.445 55.300 0.029 0.000 1.083 963 M CB 1.352 33.977 32.600 0.041 0.000 1.593 963 M HN 0.040 nan 8.290 nan 0.000 0.463 964 D N 2.098 122.509 120.400 0.018 0.000 2.213 964 D HA 0.357 4.997 4.640 0.001 0.000 0.205 964 D C 0.838 177.143 176.300 0.008 0.000 0.961 964 D CA 1.410 55.417 54.000 0.012 0.000 0.853 964 D CB 0.227 41.031 40.800 0.007 0.000 0.967 964 D HN 0.812 nan 8.370 nan 0.000 0.496 965 S N -2.564 113.143 115.700 0.012 0.000 2.643 965 S HA 0.675 5.145 4.470 0.001 0.000 0.270 965 S C -1.017 173.595 174.600 0.019 0.000 1.166 965 S CA 0.003 58.206 58.200 0.006 0.000 0.815 965 S CB 1.632 64.829 63.200 -0.005 0.000 1.139 965 S HN 1.150 nan 8.310 nan 0.000 0.472 966 C N 2.273 121.580 119.300 0.011 0.000 3.274 966 C HA 0.711 5.171 4.460 0.001 0.000 0.415 966 C C -2.892 172.084 174.990 -0.023 0.000 1.009 966 C CA -0.833 58.199 59.018 0.023 0.000 1.163 966 C CB 1.039 28.839 27.740 0.101 0.000 1.549 966 C HN 0.811 nan 8.230 nan 0.000 0.599 967 P HA 0.219 nan 4.420 nan 0.000 0.272 967 P C 0.537 177.794 177.300 -0.072 0.000 1.230 967 P CA 0.117 63.116 63.100 -0.168 0.000 0.788 967 P CB 0.757 32.274 31.700 -0.305 0.000 0.949 968 V N -1.105 118.788 119.914 -0.034 0.000 3.647 968 V HA 0.216 4.337 4.120 0.001 0.000 0.279 968 V C 0.314 176.483 176.094 0.125 0.000 1.314 968 V CA 0.083 62.410 62.300 0.045 0.000 1.125 968 V CB -0.288 31.440 31.823 -0.159 0.000 0.907 968 V HN 0.296 nan 8.190 nan 0.000 0.434 969 V N -1.000 118.974 119.914 0.101 0.000 3.077 969 V HA 0.927 5.047 4.120 0.001 0.000 0.299 969 V C 0.129 176.312 176.094 0.149 0.000 1.276 969 V CA 0.027 62.457 62.300 0.217 0.000 0.993 969 V CB 0.994 32.923 31.823 0.176 0.000 1.076 969 V HN 0.420 nan 8.190 nan 0.000 0.434 980 L N 1.901 123.145 121.223 0.035 0.000 2.357 980 L HA 0.601 4.941 4.340 0.001 0.000 0.273 980 L C 1.510 178.395 176.870 0.024 0.000 1.080 980 L CA -0.733 54.128 54.840 0.035 0.000 0.803 980 L CB 1.619 43.709 42.059 0.052 0.000 1.174 980 L HN 0.931 nan 8.230 nan 0.000 0.443 981 S N 0.916 116.627 115.700 0.018 0.000 2.569 981 S HA 0.038 4.509 4.470 0.001 0.000 0.274 981 S C -0.260 174.341 174.600 0.002 0.000 1.353 981 S CA -0.612 57.593 58.200 0.009 0.000 1.023 981 S CB 0.793 63.999 63.200 0.010 0.000 0.876 981 S HN 0.580 nan 8.310 nan 0.000 0.540 982 Q N 0.971 120.770 119.800 -0.003 0.000 2.288 982 Q HA 0.536 4.877 4.340 0.001 0.000 0.258 982 Q C -0.361 175.631 176.000 -0.014 0.000 0.957 982 Q CA -0.068 55.733 55.803 -0.004 0.000 0.919 982 Q CB 0.689 29.425 28.738 -0.003 0.000 1.185 982 Q HN 0.919 nan 8.270 nan 0.000 0.408 983 A N 6.486 129.296 122.820 -0.016 0.000 2.331 983 A HA 0.602 4.922 4.320 0.001 0.000 0.283 983 A C -2.159 175.414 177.584 -0.018 0.000 1.142 983 A CA -1.298 50.722 52.037 -0.029 0.000 0.812 983 A CB -0.067 18.906 19.000 -0.045 0.000 1.074 983 A HN 0.820 nan 8.150 nan 0.000 0.497 984 P HA 0.380 nan 4.420 nan 0.000 0.274 984 P C -0.327 176.964 177.300 -0.015 0.000 1.246 984 P CA -0.161 62.925 63.100 -0.024 0.000 0.795 984 P CB 0.958 32.635 31.700 -0.040 0.000 1.006 985 A N 2.132 124.949 122.820 -0.006 0.000 2.363 985 A HA 0.509 4.829 4.320 0.001 0.000 0.270 985 A C 0.173 177.760 177.584 0.005 0.000 1.121 985 A CA -0.481 51.564 52.037 0.013 0.000 0.800 985 A CB -0.388 18.622 19.000 0.018 0.000 1.052 985 A HN 0.492 nan 8.150 nan 0.000 0.493 986 L N 2.693 123.938 121.223 0.037 0.000 2.322 986 L HA 0.503 4.844 4.340 0.001 0.000 0.269 986 L C -1.971 174.988 176.870 0.147 0.000 1.012 986 L CA -2.023 52.840 54.840 0.039 0.000 0.815 986 L CB 1.164 43.225 42.059 0.002 0.000 1.295 986 L HN 0.506 nan 8.230 nan 0.000 0.438 987 P HA 0.145 nan 4.420 nan 0.000 0.275 987 P C -1.165 176.322 177.300 0.312 0.000 1.266 987 P CA -0.616 62.612 63.100 0.214 0.000 0.793 987 P CB 0.387 32.204 31.700 0.194 0.000 1.074 988 Q N 1.568 121.453 119.800 0.142 0.000 2.314 988 Q HA 0.270 4.610 4.340 0.001 0.000 0.257 988 Q C -2.211 173.735 176.000 -0.090 0.000 0.975 988 Q CA -1.898 53.919 55.803 0.024 0.000 0.933 988 Q CB -0.062 28.668 28.738 -0.014 0.000 1.195 988 Q HN 0.234 nan 8.270 nan 0.000 0.426 989 P HA 0.125 nan 4.420 nan 0.000 0.276 989 P C -1.051 175.972 177.300 -0.462 0.000 1.244 989 P CA -0.437 62.241 63.100 -0.704 0.000 0.801 989 P CB 0.915 31.605 31.700 -1.682 0.000 1.006 990 E N 1.115 121.040 120.200 -0.458 0.000 2.130 990 E HA 0.271 4.621 4.350 0.001 0.000 0.284 990 E C -0.838 175.667 176.600 -0.159 0.000 1.018 990 E CA -0.762 55.485 56.400 -0.255 0.000 0.817 990 E CB 0.671 30.222 29.700 -0.249 0.000 1.078 990 E HN 0.095 nan 8.360 nan 0.000 0.396 991 V N 6.889 126.729 119.914 -0.123 0.000 2.455 991 V HA 0.115 4.235 4.120 0.001 0.000 0.273 991 V C 0.539 176.636 176.094 0.005 0.000 1.045 991 V CA -0.185 62.054 62.300 -0.101 0.000 0.976 991 V CB 0.519 32.271 31.823 -0.117 0.000 0.993 991 V HN 0.699 nan 8.190 nan 0.000 0.475 992 I N 5.638 126.221 120.570 0.021 0.000 2.452 992 I HA 0.125 4.295 4.170 0.001 0.000 0.287 992 I C 1.210 177.383 176.117 0.093 0.000 1.079 992 I CA 0.264 61.594 61.300 0.051 0.000 1.387 992 I CB 0.803 38.729 38.000 -0.123 0.000 1.404 992 I HN 0.703 nan 8.210 nan 0.000 0.522 993 Q N 4.231 124.080 119.800 0.082 0.000 2.350 993 Q HA 0.194 4.534 4.340 0.001 0.000 0.225 993 Q C 0.098 176.152 176.000 0.091 0.000 0.878 993 Q CA 0.219 56.066 55.803 0.073 0.000 0.935 993 Q CB 0.788 29.550 28.738 0.039 0.000 1.099 993 Q HN 0.623 nan 8.270 nan 0.000 0.527 994 N N 0.399 119.144 118.700 0.076 0.000 2.519 994 N HA 0.188 4.928 4.740 0.001 0.000 0.291 994 N C 0.373 175.898 175.510 0.024 0.000 1.107 994 N CA 0.049 53.130 53.050 0.051 0.000 0.904 994 N CB 1.322 39.839 38.487 0.049 0.000 1.500 994 N HN -0.048 nan 8.380 nan 0.000 0.510 995 M N 0.918 120.485 119.600 -0.054 0.000 2.149 995 M HA -0.133 4.348 4.480 0.001 0.000 0.261 995 M C 1.516 177.826 176.300 0.016 0.000 1.064 995 M CA 1.728 56.975 55.300 -0.088 0.000 1.102 995 M CB -0.428 32.050 32.600 -0.203 0.000 1.369 995 M HN 0.474 nan 8.290 nan 0.000 0.408 996 T N 0.222 114.777 114.554 0.002 0.000 2.674 996 T HA -0.143 4.208 4.350 0.001 0.000 0.265 996 T C 1.641 176.345 174.700 0.008 0.000 1.039 996 T CA 1.448 63.547 62.100 -0.001 0.000 1.150 996 T CB -0.349 68.524 68.868 0.008 0.000 0.864 996 T HN 0.466 nan 8.240 nan 0.000 0.427 997 E N 0.269 120.487 120.200 0.031 0.000 2.097 997 E HA -0.146 4.204 4.350 0.001 0.000 0.196 997 E C 1.899 178.516 176.600 0.029 0.000 1.000 997 E CA 1.121 57.539 56.400 0.030 0.000 0.804 997 E CB -0.322 29.409 29.700 0.051 0.000 0.740 997 E HN 0.446 nan 8.360 nan 0.000 0.454 998 F N 2.189 122.083 119.950 -0.092 0.000 2.065 998 F HA -0.245 4.283 4.527 0.001 0.000 0.298 998 F C 1.974 177.671 175.800 -0.171 0.000 1.112 998 F CA 1.752 59.662 58.000 -0.149 0.000 1.212 998 F CB -0.057 38.824 39.000 -0.198 0.000 0.975 998 F HN -0.190 nan 8.300 nan 0.000 0.476 999 K N -0.054 120.214 120.400 -0.220 0.000 2.057 999 K HA -0.163 4.158 4.320 0.001 0.000 0.207 999 K C 2.225 178.665 176.600 -0.267 0.000 1.049 999 K CA 1.615 57.714 56.287 -0.313 0.000 0.931 999 K CB -0.342 32.076 32.500 -0.136 0.000 0.714 999 K HN 0.292 nan 8.250 nan 0.000 0.440 1000 R N 0.189 120.590 120.500 -0.165 0.000 2.105 1000 R HA -0.102 4.238 4.340 0.001 0.000 0.239 1000 R C 2.287 178.502 176.300 -0.142 0.000 1.135 1000 R CA 1.374 57.401 56.100 -0.122 0.000 0.967 1000 R CB -0.429 29.830 30.300 -0.069 0.000 0.861 1000 R HN 0.295 nan 8.270 nan 0.000 0.442 1001 G N 0.247 108.943 108.800 -0.174 0.000 2.956 1001 G HA2 0.085 4.046 3.960 0.001 0.000 0.207 1001 G HA3 0.085 4.046 3.960 0.001 0.000 0.207 1001 G C 0.331 175.106 174.900 -0.209 0.000 1.162 1001 G CA 0.091 45.099 45.100 -0.153 0.000 0.796 1001 G HN 0.014 nan 8.290 nan 0.000 0.527 1002 L N 0.338 121.386 121.223 -0.293 0.000 2.354 1002 L HA 0.457 4.797 4.340 0.001 0.000 0.264 1002 L C -2.114 174.619 176.870 -0.228 0.000 1.008 1002 L CA -2.256 52.404 54.840 -0.299 0.000 0.819 1002 L CB 2.760 44.523 42.059 -0.492 0.000 1.339 1002 L HN -0.129 nan 8.230 nan 0.000 0.420 1003 P HA 0.348 nan 4.420 nan 0.000 0.276 1003 P C -1.372 175.812 177.300 -0.193 0.000 1.261 1003 P CA -0.432 62.560 63.100 -0.180 0.000 0.800 1003 P CB 1.165 32.753 31.700 -0.187 0.000 1.066 1004 L N 0.383 121.521 121.223 -0.142 0.000 2.346 1004 L HA 0.432 4.773 4.340 0.001 0.000 0.276 1004 L C 0.625 177.458 176.870 -0.062 0.000 1.006 1004 L CA -1.037 53.757 54.840 -0.076 0.000 0.817 1004 L CB 0.932 42.983 42.059 -0.013 0.000 1.272 1004 L HN 0.258 nan 8.230 nan 0.000 0.421 1005 F N 3.226 123.160 119.950 -0.027 0.000 2.539 1005 F HA 0.154 4.682 4.527 0.001 0.000 0.340 1005 F C -1.447 174.348 175.800 -0.009 0.000 1.185 1005 F CA -0.546 57.444 58.000 -0.018 0.000 1.333 1005 F CB 0.395 39.391 39.000 -0.006 0.000 1.152 1005 F HN 0.297 nan 8.300 nan 0.000 0.602 1006 P HA 0.167 nan 4.420 nan 0.000 0.282 1006 P C -1.167 176.195 177.300 0.104 0.000 1.287 1006 P CA -0.416 62.756 63.100 0.120 0.000 0.792 1006 P CB 0.907 32.660 31.700 0.088 0.000 1.163 1007 L N 0.158 121.409 121.223 0.047 0.000 2.357 1007 L HA 0.261 4.601 4.340 0.001 0.000 0.273 1007 L C 0.584 177.450 176.870 -0.006 0.000 1.080 1007 L CA -0.828 54.020 54.840 0.013 0.000 0.803 1007 L CB 0.469 42.520 42.059 -0.013 0.000 1.174 1007 L HN 0.110 nan 8.230 nan 0.000 0.443 1008 V N 2.640 122.535 119.914 -0.031 0.000 2.843 1008 V HA 0.054 4.174 4.120 0.001 0.000 0.305 1008 V C 0.817 176.890 176.094 -0.036 0.000 1.065 1008 V CA -0.542 61.732 62.300 -0.042 0.000 1.116 1008 V CB 0.184 31.965 31.823 -0.070 0.000 0.968 1008 V HN 0.612 nan 8.190 nan 0.000 0.487 1009 K N 4.364 124.746 120.400 -0.030 0.000 2.249 1009 K HA 0.350 4.671 4.320 0.001 0.000 0.280 1009 K C -2.395 174.202 176.600 -0.005 0.000 1.033 1009 K CA -1.413 54.861 56.287 -0.020 0.000 0.946 1009 K CB 0.765 33.249 32.500 -0.027 0.000 1.005 1009 K HN 0.442 nan 8.250 nan 0.000 0.469 1010 P HA -0.011 nan 4.420 nan 0.000 0.276 1010 P C -0.711 176.649 177.300 0.100 0.000 1.230 1010 P CA -0.123 63.054 63.100 0.129 0.000 0.776 1010 P CB 0.368 32.195 31.700 0.210 0.000 0.888 1011 H N 4.012 123.097 119.070 0.026 0.000 3.089 1011 H HA 0.164 4.721 4.556 0.001 0.000 0.262 1011 H C 0.421 175.740 175.328 -0.015 0.000 1.160 1011 H CA -0.213 55.818 56.048 -0.028 0.000 1.482 1011 H CB -0.715 28.993 29.762 -0.090 0.000 1.511 1011 H HN 0.347 nan 8.280 nan 0.000 0.483 1012 I N 4.162 124.730 120.570 -0.004 0.000 3.015 1012 I HA -0.164 4.006 4.170 0.001 0.000 0.309 1012 I C 0.359 176.561 176.117 0.142 0.000 1.229 1012 I CA 0.802 62.119 61.300 0.029 0.000 1.430 1012 I CB -0.480 37.496 38.000 -0.039 0.000 1.347 1012 I HN 0.759 nan 8.210 nan 0.000 0.544 1013 N N 5.876 124.651 118.700 0.125 0.000 2.841 1013 N HA 0.503 5.243 4.740 0.001 0.000 0.257 1013 N C -0.376 175.213 175.510 0.130 0.000 1.396 1013 N CA 0.235 53.405 53.050 0.201 0.000 0.823 1013 N CB 1.131 39.837 38.487 0.364 0.000 1.162 1013 N HN 0.899 nan 8.380 nan 0.000 0.503 1014 F N 1.441 121.438 119.950 0.079 0.000 2.578 1014 F HA 0.560 5.088 4.527 0.001 0.000 0.376 1014 F C 0.799 176.615 175.800 0.026 0.000 1.085 1014 F CA -0.235 57.783 58.000 0.031 0.000 1.260 1014 F CB 0.012 39.026 39.000 0.024 0.000 1.095 1014 F HN 0.418 nan 8.300 nan 0.000 0.573 1015 M N 2.052 121.639 119.600 -0.021 0.000 3.015 1015 M HA 0.825 5.305 4.480 0.001 0.000 0.272 1015 M C -0.046 176.212 176.300 -0.070 0.000 1.085 1015 M CA -0.644 54.636 55.300 -0.034 0.000 0.795 1015 M CB 0.275 32.853 32.600 -0.037 0.000 1.632 1015 M HN 2.779 nan 8.290 nan 0.000 0.535 1016 A N 0.000 122.783 122.820 -0.062 0.000 2.254 1016 A HA 0.000 4.320 4.320 0.001 0.000 0.244 1016 A CA 0.000 51.996 52.037 -0.068 0.000 0.836 1016 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 1016 A HN 0.000 nan 8.150 nan 0.000 0.486