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 3abz_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKFDVEQLLS ELNQDEKISL LSAVDFWHTK KIERLGIPAV RVSDGPNGIR DATA SEQUENCE GTKFFDGVPS GCFPNGTGLA STFDRDLLET AGKLXAKESI AKNAAVILGP DATA SEQUENCE TTNXQRGPLG GRGFESFSED PYLAGXATSS VVKGXQGEGI AATVKHFVCN DATA SEQUENCE DLEDQRFSSN SIVSERALRE IYLEPFRLAV KHANPVCIXT AYNKVNGEHC DATA SEQUENCE SQSKKLLIDI LRDEWKWDGX LXSDWFGTYT TAAAIKNGLD IEFPGPTRWR DATA SEQUENCE TRALVSHSLN SREQITTEDV DDRVRQVLKX IKFVVDNLEK TGIVENGPES DATA SEQUENCE TSNNTKETSD LLRKIAADSI VLLKNKNNIL PLKKEDNIIV IGPNAKAKTS DATA SEQUENCE SGGGSASXNS YYVVSPYEGI VNKLGKEVDY TVGAYSHKSI GGLAESSLID DATA SEQUENCE AAKPADAENS GLIAKFYSNP VEERSDDEEP FHVTKVNRSN VHLFDFKHEK DATA SEQUENCE VDPKNPYFFV TLTGQYVPQE DGDYIFSLQV YGSGLFYLND ELIIDQKHNQ DATA SEQUENCE ERGSFCFGAG TKERTKKLTL KKGQVYNVRV EYGSGPTSGL VGEFGAGGFQ DATA SEQUENCE AGVIKAIDDD EEIRNAAELA AKHDKAVLII GLNGEWETEG YDRENXDLPK DATA SEQUENCE RTNELVRAVL KANPNTVIVN QSGTPVEFPW LEDANALVQA WYGGNELGNA DATA SEQUENCE IADVLYGDVV PNGKLSLSWP FKLQDNPAFL NFKTEFGRVI YGEDIFVGYR DATA SEQUENCE YYEKLQRKVA FPFGYGLSYT TFELDISDFK VTDDKIAISV DVKNTGDKFA DATA SEQUENCE GSEVVQVYFS ALNSKVSRPV KELKGFEKVH LEPGEKKTVN IDLELKDAIS DATA SEQUENCE YFNEELGKWH VEAGEYLVSV GTSSDDILSV KEFKVEKELY WKGL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.639 174.600 0.065 0.000 1.055 2 S CA 0.000 58.221 58.200 0.035 0.000 1.107 2 S CB 0.000 63.224 63.200 0.040 0.000 0.593 3 K N -0.234 120.209 120.400 0.073 0.000 2.426 3 K HA 0.188 4.509 4.320 0.001 0.000 0.193 3 K C 0.062 176.710 176.600 0.080 0.000 1.028 3 K CA 0.021 56.343 56.287 0.059 0.000 1.047 3 K CB -0.269 32.249 32.500 0.030 0.000 0.821 3 K HN 0.519 nan 8.250 nan 0.000 0.513 4 F N 3.428 123.373 119.950 -0.008 0.000 2.514 4 F HA -0.136 4.389 4.527 -0.002 0.000 0.399 4 F C 0.245 176.044 175.800 -0.002 0.000 1.011 4 F CA 0.230 58.228 58.000 -0.003 0.000 1.109 4 F CB 0.147 39.146 39.000 -0.001 0.000 0.980 4 F HN -0.060 nan 8.300 nan 0.000 0.538 5 D N 5.950 126.182 120.400 -0.279 0.000 2.440 5 D HA 0.179 4.820 4.640 0.001 0.000 0.239 5 D C 0.620 176.803 176.300 -0.195 0.000 1.084 5 D CA -0.452 53.469 54.000 -0.131 0.000 0.843 5 D CB 1.687 42.425 40.800 -0.103 0.000 1.097 5 D HN 0.332 nan 8.370 nan 0.000 0.531 6 V N 4.059 123.949 119.914 -0.040 0.000 2.295 6 V HA -0.160 3.961 4.120 0.001 0.000 0.246 6 V C 2.172 178.235 176.094 -0.050 0.000 1.049 6 V CA 1.429 63.723 62.300 -0.011 0.000 1.024 6 V CB -0.222 31.649 31.823 0.080 0.000 0.648 6 V HN 0.582 nan 8.190 nan 0.000 0.447 7 E N -0.308 119.870 120.200 -0.037 0.000 2.106 7 E HA -0.229 4.122 4.350 0.001 0.000 0.192 7 E C 2.181 178.748 176.600 -0.055 0.000 0.984 7 E CA 1.188 57.566 56.400 -0.036 0.000 0.806 7 E CB -0.218 29.468 29.700 -0.022 0.000 0.750 7 E HN 0.602 nan 8.360 nan 0.000 0.458 8 Q N 0.892 120.647 119.800 -0.075 0.000 2.084 8 Q HA -0.065 4.276 4.340 0.001 0.000 0.202 8 Q C 2.203 178.141 176.000 -0.102 0.000 0.978 8 Q CA 1.124 56.878 55.803 -0.082 0.000 0.844 8 Q CB -0.306 28.378 28.738 -0.090 0.000 0.898 8 Q HN 0.249 nan 8.270 nan 0.000 0.426 9 L N -0.455 120.677 121.223 -0.152 0.000 2.056 9 L HA -0.133 4.208 4.340 0.001 0.000 0.207 9 L C 2.183 178.998 176.870 -0.091 0.000 1.078 9 L CA 0.571 55.314 54.840 -0.161 0.000 0.749 9 L CB -0.483 41.413 42.059 -0.271 0.000 0.901 9 L HN 0.298 nan 8.230 nan 0.000 0.433 10 L N -0.105 121.076 121.223 -0.069 0.000 2.127 10 L HA -0.222 4.119 4.340 0.001 0.000 0.211 10 L C 2.675 179.524 176.870 -0.035 0.000 1.089 10 L CA 2.158 56.975 54.840 -0.038 0.000 0.757 10 L CB -0.485 41.559 42.059 -0.024 0.000 0.899 10 L HN 0.385 nan 8.230 nan 0.000 0.434 11 S N -2.565 113.110 115.700 -0.041 0.000 2.496 11 S HA -0.026 4.445 4.470 0.001 0.000 0.224 11 S C 1.687 176.267 174.600 -0.034 0.000 0.996 11 S CA 0.607 58.787 58.200 -0.033 0.000 0.927 11 S CB -0.271 62.910 63.200 -0.033 0.000 0.774 11 S HN 0.612 nan 8.310 nan 0.000 0.524 12 E N 0.459 120.633 120.200 -0.043 0.000 2.307 12 E HA 0.287 4.637 4.350 0.001 0.000 0.195 12 E C -0.177 176.402 176.600 -0.034 0.000 0.975 12 E CA -0.219 56.156 56.400 -0.041 0.000 0.878 12 E CB 0.068 29.736 29.700 -0.053 0.000 0.845 12 E HN 0.472 nan 8.360 nan 0.000 0.488 13 L N 3.302 124.505 121.223 -0.034 0.000 2.490 13 L HA -0.011 4.330 4.340 0.001 0.000 0.274 13 L C 0.483 177.342 176.870 -0.019 0.000 1.201 13 L CA -0.498 54.327 54.840 -0.025 0.000 0.869 13 L CB -0.041 42.006 42.059 -0.020 0.000 1.123 13 L HN 0.179 nan 8.230 nan 0.000 0.484 14 N N 1.731 120.421 118.700 -0.017 0.000 2.379 14 N HA 0.016 4.757 4.740 0.001 0.000 0.260 14 N C 0.392 175.895 175.510 -0.012 0.000 1.254 14 N CA -0.482 52.559 53.050 -0.014 0.000 0.958 14 N CB 0.391 38.870 38.487 -0.013 0.000 1.208 14 N HN 0.586 nan 8.380 nan 0.000 0.532 15 Q N -1.120 118.674 119.800 -0.010 0.000 2.170 15 Q HA -0.160 4.181 4.340 0.001 0.000 0.203 15 Q C 0.266 176.261 176.000 -0.008 0.000 0.976 15 Q CA 1.509 57.307 55.803 -0.008 0.000 0.858 15 Q CB -0.036 28.699 28.738 -0.005 0.000 0.907 15 Q HN 0.611 nan 8.270 nan 0.000 0.433 16 D N 0.311 120.705 120.400 -0.010 0.000 2.117 16 D HA -0.139 4.502 4.640 0.001 0.000 0.198 16 D C 1.533 177.824 176.300 -0.016 0.000 0.982 16 D CA 1.101 55.093 54.000 -0.013 0.000 0.828 16 D CB -0.061 40.730 40.800 -0.015 0.000 0.967 16 D HN 0.376 nan 8.370 nan 0.000 0.464 17 E N 0.782 120.973 120.200 -0.015 0.000 2.077 17 E HA -0.139 4.212 4.350 0.001 0.000 0.193 17 E C 2.025 178.618 176.600 -0.012 0.000 0.989 17 E CA 0.808 57.200 56.400 -0.014 0.000 0.800 17 E CB 0.074 29.767 29.700 -0.012 0.000 0.746 17 E HN 0.232 nan 8.360 nan 0.000 0.452 18 K N 0.625 121.019 120.400 -0.010 0.000 2.009 18 K HA -0.161 4.160 4.320 0.001 0.000 0.210 18 K C 2.189 178.783 176.600 -0.010 0.000 1.049 18 K CA 1.344 57.627 56.287 -0.007 0.000 0.929 18 K CB -0.241 32.255 32.500 -0.006 0.000 0.714 18 K HN 0.120 nan 8.250 nan 0.000 0.440 19 I N 1.312 121.874 120.570 -0.012 0.000 2.264 19 I HA -0.300 3.871 4.170 0.001 0.000 0.248 19 I C 2.513 178.612 176.117 -0.029 0.000 1.111 19 I CA 1.514 62.804 61.300 -0.016 0.000 1.382 19 I CB -0.451 37.542 38.000 -0.012 0.000 1.060 19 I HN 0.238 nan 8.210 nan 0.000 0.418 20 S N 0.753 116.433 115.700 -0.032 0.000 2.481 20 S HA -0.023 4.448 4.470 0.001 0.000 0.231 20 S C 1.821 176.390 174.600 -0.053 0.000 0.996 20 S CA 0.580 58.751 58.200 -0.048 0.000 0.942 20 S CB -0.530 62.645 63.200 -0.042 0.000 0.768 20 S HN 0.447 nan 8.310 nan 0.000 0.520 21 L N 0.516 121.719 121.223 -0.033 0.000 2.418 21 L HA 0.251 4.592 4.340 0.001 0.000 0.218 21 L C 1.849 178.694 176.870 -0.042 0.000 1.125 21 L CA 0.424 55.248 54.840 -0.027 0.000 0.835 21 L CB -0.286 41.777 42.059 0.006 0.000 0.953 21 L HN 0.334 nan 8.230 nan 0.000 0.454 22 L N -0.629 120.566 121.223 -0.047 0.000 2.599 22 L HA 0.061 4.402 4.340 0.001 0.000 0.230 22 L C 0.640 177.451 176.870 -0.099 0.000 1.141 22 L CA 0.106 54.917 54.840 -0.048 0.000 0.877 22 L CB -0.464 41.579 42.059 -0.026 0.000 1.009 22 L HN 0.316 nan 8.230 nan 0.000 0.447 23 S N -1.391 114.212 115.700 -0.161 0.000 2.546 23 S HA 0.718 5.189 4.470 0.001 0.000 0.274 23 S C -0.329 174.016 174.600 -0.425 0.000 1.121 23 S CA -0.789 57.242 58.200 -0.282 0.000 0.887 23 S CB 2.316 65.380 63.200 -0.225 0.000 1.094 23 S HN 0.040 nan 8.310 nan 0.000 0.474 24 A N 1.643 123.998 122.820 -0.776 0.000 2.466 24 A HA 0.496 4.817 4.320 0.001 0.000 0.238 24 A C 1.226 178.522 177.584 -0.480 0.000 1.074 24 A CA -0.366 51.145 52.037 -0.876 0.000 0.774 24 A CB -0.172 17.841 19.000 -1.644 0.000 1.015 24 A HN 1.236 nan 8.150 nan 0.000 0.498 25 V N 0.971 120.704 119.914 -0.302 0.000 2.379 25 V HA -0.006 4.115 4.120 0.001 0.000 0.245 25 V C 0.948 176.924 176.094 -0.196 0.000 1.044 25 V CA 2.223 64.409 62.300 -0.190 0.000 1.036 25 V CB -1.267 30.500 31.823 -0.094 0.000 0.664 25 V HN 1.086 nan 8.190 nan 0.000 0.453 26 D N -2.832 117.461 120.400 -0.179 0.000 3.009 26 D HA 0.173 4.814 4.640 0.001 0.000 0.318 26 D C 0.566 176.706 176.300 -0.267 0.000 1.273 26 D CA -0.759 53.144 54.000 -0.162 0.000 1.001 26 D CB 0.173 41.003 40.800 0.050 0.000 1.411 26 D HN -0.094 nan 8.370 nan 0.000 0.577 27 F N -1.193 118.617 119.950 -0.232 0.000 2.333 27 F HA 0.094 4.621 4.527 -0.000 0.000 0.300 27 F C 0.995 176.563 175.800 -0.387 0.000 1.083 27 F CA 1.094 58.772 58.000 -0.537 0.000 1.395 27 F CB -0.062 38.353 39.000 -0.975 0.000 1.056 27 F HN 0.317 nan 8.300 nan 0.000 0.529 28 W N -3.259 118.348 121.300 0.513 0.000 1.807 28 W HA 0.219 4.878 4.660 -0.001 0.000 0.251 28 W C -0.435 176.093 176.519 0.015 0.000 0.848 28 W CA -0.350 57.188 57.345 0.321 0.000 1.157 28 W CB 0.072 29.556 29.460 0.041 0.000 0.992 28 W HN -0.273 nan 8.180 nan 0.000 0.506 29 H N -0.502 118.826 119.070 0.430 0.000 2.679 29 H HA 0.425 4.984 4.556 0.004 0.000 0.360 29 H C 0.581 175.956 175.328 0.079 0.000 1.105 29 H CA -0.623 55.581 56.048 0.260 0.000 1.196 29 H CB 1.547 31.411 29.762 0.170 0.000 1.636 29 H HN -0.216 nan 8.280 nan 0.000 0.531 30 T N -0.992 113.685 114.554 0.205 0.000 2.788 30 T HA 0.210 4.561 4.350 0.001 0.000 0.280 30 T C 0.421 175.144 174.700 0.039 0.000 0.984 30 T CA -1.049 61.079 62.100 0.048 0.000 0.972 30 T CB 0.857 69.782 68.868 0.094 0.000 1.039 30 T HN 0.368 nan 8.240 nan 0.000 0.530 31 K N 1.039 121.432 120.400 -0.012 0.000 2.349 31 K HA 0.196 4.516 4.320 0.001 0.000 0.289 31 K C 0.072 176.686 176.600 0.023 0.000 1.064 31 K CA -0.137 56.143 56.287 -0.011 0.000 0.947 31 K CB 0.227 32.705 32.500 -0.036 0.000 1.007 31 K HN 0.660 nan 8.250 nan 0.000 0.478 32 K N 5.214 125.628 120.400 0.023 0.000 2.350 32 K HA 0.115 4.436 4.320 0.001 0.000 0.279 32 K C -0.562 176.052 176.600 0.023 0.000 1.027 32 K CA -0.236 56.071 56.287 0.032 0.000 0.969 32 K CB 0.441 32.952 32.500 0.019 0.000 0.954 32 K HN 0.542 nan 8.250 nan 0.000 0.474 33 I N 4.862 125.455 120.570 0.037 0.000 2.502 33 I HA 0.054 4.225 4.170 0.001 0.000 0.276 33 I C 0.993 177.125 176.117 0.024 0.000 1.057 33 I CA -0.159 61.155 61.300 0.023 0.000 1.163 33 I CB 0.965 38.978 38.000 0.021 0.000 1.288 33 I HN 0.915 nan 8.210 nan 0.000 0.479 34 E N 5.616 125.824 120.200 0.014 0.000 2.058 34 E HA -0.219 4.132 4.350 0.001 0.000 0.194 34 E C 1.987 178.593 176.600 0.009 0.000 0.997 34 E CA 1.610 58.018 56.400 0.014 0.000 0.801 34 E CB 0.262 29.966 29.700 0.006 0.000 0.746 34 E HN 0.613 nan 8.360 nan 0.000 0.450 35 R N 0.194 120.694 120.500 0.000 0.000 2.303 35 R HA -0.105 4.236 4.340 0.001 0.000 0.225 35 R C 1.575 177.869 176.300 -0.010 0.000 1.114 35 R CA 1.120 57.217 56.100 -0.005 0.000 1.007 35 R CB -0.209 30.085 30.300 -0.010 0.000 0.861 35 R HN 0.248 nan 8.270 nan 0.000 0.471 36 L N -0.064 121.155 121.223 -0.007 0.000 2.858 36 L HA 0.355 4.696 4.340 0.001 0.000 0.251 36 L C 0.680 177.544 176.870 -0.011 0.000 1.149 36 L CA 0.193 55.019 54.840 -0.025 0.000 0.955 36 L CB 0.851 42.885 42.059 -0.041 0.000 1.289 36 L HN 0.545 nan 8.230 nan 0.000 0.542 37 G N 1.664 110.479 108.800 0.025 0.000 2.179 37 G HA2 -0.295 3.666 3.960 0.001 0.000 0.257 37 G HA3 -0.295 3.666 3.960 0.001 0.000 0.257 37 G C 0.189 175.177 174.900 0.146 0.000 1.010 37 G CA 0.018 45.157 45.100 0.066 0.000 0.736 37 G HN 0.341 nan 8.290 nan 0.000 0.513 38 I N 2.539 123.198 120.570 0.147 0.000 2.322 38 I HA 0.247 4.418 4.170 0.001 0.000 0.292 38 I C -1.450 174.755 176.117 0.145 0.000 1.060 38 I CA -2.119 59.325 61.300 0.240 0.000 1.309 38 I CB 1.115 39.232 38.000 0.194 0.000 1.415 38 I HN -0.025 nan 8.210 nan 0.000 0.492 39 P HA 0.207 nan 4.420 nan 0.000 0.279 39 P C -0.645 176.706 177.300 0.083 0.000 1.252 39 P CA -0.521 62.629 63.100 0.083 0.000 0.811 39 P CB 1.006 32.744 31.700 0.063 0.000 1.035 40 A N 1.926 124.795 122.820 0.082 0.000 2.488 40 A HA 0.336 4.657 4.320 0.001 0.000 0.249 40 A C 0.075 177.747 177.584 0.147 0.000 1.083 40 A CA -0.149 51.954 52.037 0.111 0.000 0.768 40 A CB -0.385 18.677 19.000 0.103 0.000 1.017 40 A HN 0.369 nan 8.150 nan 0.000 0.496 41 V N 3.709 123.724 119.914 0.169 0.000 2.427 41 V HA 0.399 4.520 4.120 0.001 0.000 0.286 41 V C 0.624 176.849 176.094 0.220 0.000 1.034 41 V CA -0.598 61.803 62.300 0.168 0.000 0.893 41 V CB 1.418 33.324 31.823 0.138 0.000 0.982 41 V HN 0.972 nan 8.190 nan 0.000 0.452 42 R N 3.579 124.187 120.500 0.181 0.000 2.312 42 R HA 0.676 5.016 4.340 0.001 0.000 0.311 42 R C -0.707 175.635 176.300 0.071 0.000 1.004 42 R CA -0.356 55.784 56.100 0.066 0.000 0.902 42 R CB 1.551 31.890 30.300 0.065 0.000 1.073 42 R HN 0.681 nan 8.270 nan 0.000 0.457 43 V N 0.506 120.486 119.914 0.110 0.000 2.881 43 V HA 0.783 4.904 4.120 0.001 0.000 0.316 43 V C -0.721 175.384 176.094 0.019 0.000 1.070 43 V CA -0.612 61.748 62.300 0.100 0.000 0.976 43 V CB 1.862 33.777 31.823 0.154 0.000 1.038 43 V HN 0.749 nan 8.190 nan 0.000 0.446 44 S N 1.153 116.789 115.700 -0.107 0.000 2.536 44 S HA 0.431 4.902 4.470 0.001 0.000 0.271 44 S C -1.009 173.401 174.600 -0.315 0.000 1.134 44 S CA -0.655 57.338 58.200 -0.345 0.000 0.897 44 S CB 1.722 64.707 63.200 -0.358 0.000 1.094 44 S HN 0.989 nan 8.310 nan 0.000 0.473 45 D N 1.871 122.008 120.400 -0.439 0.000 2.419 45 D HA 0.512 5.153 4.640 0.001 0.000 0.236 45 D C 0.651 176.778 176.300 -0.289 0.000 1.165 45 D CA 1.002 54.808 54.000 -0.324 0.000 0.882 45 D CB 1.237 41.836 40.800 -0.336 0.000 1.201 45 D HN 0.743 nan 8.370 nan 0.000 0.443 46 G N 0.398 109.065 108.800 -0.222 0.000 2.793 46 G HA2 0.275 4.236 3.960 0.001 0.000 0.248 46 G HA3 0.275 4.236 3.960 0.001 0.000 0.248 46 G C -2.414 172.369 174.900 -0.194 0.000 1.198 46 G CA -0.537 44.447 45.100 -0.193 0.000 0.865 46 G HN 0.284 nan 8.290 nan 0.000 0.534 47 P HA 0.133 nan 4.420 nan 0.000 0.257 47 P C -0.037 177.120 177.300 -0.237 0.000 1.241 47 P CA 0.593 63.557 63.100 -0.227 0.000 0.816 47 P CB 0.081 31.619 31.700 -0.270 0.000 1.150 48 N N -0.373 118.225 118.700 -0.170 0.000 2.610 48 N HA 0.470 5.211 4.740 0.001 0.000 0.307 48 N C 0.052 175.552 175.510 -0.017 0.000 1.813 48 N CA -0.437 52.544 53.050 -0.115 0.000 0.901 48 N CB 0.532 39.045 38.487 0.044 0.000 1.354 48 N HN 0.046 nan 8.380 nan 0.000 0.491 49 G N 0.198 108.898 108.800 -0.166 0.000 2.428 49 G HA2 0.077 4.038 3.960 0.001 0.000 0.681 49 G HA3 0.077 4.038 3.960 0.001 0.000 0.681 49 G C -1.664 173.175 174.900 -0.101 0.000 1.340 49 G CA -1.067 44.036 45.100 0.004 0.000 0.915 49 G HN 0.144 nan 8.290 nan 0.000 0.645 50 I N 1.376 121.890 120.570 -0.093 0.000 2.307 50 I HA 0.390 4.561 4.170 0.001 0.000 0.289 50 I C 1.518 177.511 176.117 -0.207 0.000 1.021 50 I CA -0.502 60.703 61.300 -0.158 0.000 1.224 50 I CB 1.075 39.007 38.000 -0.115 0.000 1.376 50 I HN 0.858 nan 8.210 nan 0.000 0.470 51 R N 4.370 124.692 120.500 -0.298 0.000 2.093 51 R HA 0.136 4.477 4.340 0.001 0.000 0.224 51 R C 1.075 177.171 176.300 -0.340 0.000 1.101 51 R CA 1.134 57.027 56.100 -0.346 0.000 0.979 51 R CB 0.219 30.216 30.300 -0.504 0.000 0.877 51 R HN 0.961 nan 8.270 nan 0.000 0.441 52 G N -1.141 107.413 108.800 -0.409 0.000 2.568 52 G HA2 -0.327 3.634 3.960 0.001 0.000 0.222 52 G HA3 -0.327 3.634 3.960 0.001 0.000 0.222 52 G C 0.457 175.007 174.900 -0.582 0.000 1.321 52 G CA 0.149 45.018 45.100 -0.386 0.000 0.893 52 G HN 0.307 nan 8.290 nan 0.000 0.569 53 T N -1.388 112.964 114.554 -0.338 0.000 3.148 53 T HA 0.412 4.763 4.350 0.001 0.000 0.253 53 T C 0.662 175.416 174.700 0.091 0.000 1.134 53 T CA 1.691 63.642 62.100 -0.248 0.000 1.051 53 T CB -0.478 68.481 68.868 0.151 0.000 0.959 53 T HN 1.240 nan 8.240 nan 0.000 0.525 54 K N -1.371 119.042 120.400 0.022 0.000 2.551 54 K HA 0.501 4.822 4.320 0.001 0.000 0.269 54 K C -0.850 175.854 176.600 0.174 0.000 0.949 54 K CA -1.004 55.432 56.287 0.248 0.000 0.849 54 K CB 0.720 33.392 32.500 0.287 0.000 1.411 54 K HN -0.091 nan 8.250 nan 0.000 0.432 55 F N 0.642 120.801 119.950 0.348 0.000 2.148 55 F HA 0.195 4.723 4.527 0.002 0.000 0.285 55 F C 0.962 176.951 175.800 0.315 0.000 1.092 55 F CA 0.441 58.634 58.000 0.322 0.000 1.218 55 F CB 0.184 39.501 39.000 0.528 0.000 1.059 55 F HN 0.540 nan 8.300 nan 0.000 0.490 56 F N 2.157 122.405 119.950 0.497 0.000 2.495 56 F HA 0.141 4.668 4.527 0.001 0.000 0.365 56 F C 0.862 176.847 175.800 0.309 0.000 1.090 56 F CA -0.672 57.549 58.000 0.367 0.000 1.235 56 F CB 0.002 39.241 39.000 0.398 0.000 1.119 56 F HN 0.285 nan 8.300 nan 0.000 0.562 57 D N 2.988 123.032 120.400 -0.593 0.000 2.945 57 D HA -0.167 4.474 4.640 0.001 0.000 0.225 57 D C 0.262 176.489 176.300 -0.123 0.000 1.158 57 D CA 1.074 54.793 54.000 -0.469 0.000 0.805 57 D CB -1.286 39.155 40.800 -0.598 0.000 1.098 57 D HN 0.934 nan 8.370 nan 0.000 0.426 58 G N -0.659 108.119 108.800 -0.038 0.000 2.594 58 G HA2 0.406 4.367 3.960 0.001 0.000 0.243 58 G HA3 0.406 4.367 3.960 0.001 0.000 0.243 58 G C 0.288 175.170 174.900 -0.030 0.000 1.229 58 G CA -0.178 44.913 45.100 -0.015 0.000 0.843 58 G HN 0.325 nan 8.290 nan 0.000 0.578 59 V N 3.762 123.661 119.914 -0.024 0.000 2.572 59 V HA 0.098 4.219 4.120 0.001 0.000 0.291 59 V C -1.487 174.599 176.094 -0.012 0.000 1.039 59 V CA -0.879 61.420 62.300 -0.003 0.000 1.055 59 V CB 1.096 32.924 31.823 0.009 0.000 0.969 59 V HN 0.561 nan 8.190 nan 0.000 0.482 60 P HA 0.184 nan 4.420 nan 0.000 0.269 60 P C -0.227 177.037 177.300 -0.059 0.000 1.217 60 P CA 0.364 63.472 63.100 0.014 0.000 0.783 60 P CB 0.622 32.420 31.700 0.163 0.000 0.898 61 S N -0.513 114.896 115.700 -0.485 0.000 2.688 61 S HA 0.703 5.173 4.470 0.001 0.000 0.275 61 S C -0.994 172.780 174.600 -1.377 0.000 1.175 61 S CA -0.545 57.221 58.200 -0.723 0.000 0.818 61 S CB 0.982 64.001 63.200 -0.301 0.000 1.157 61 S HN 0.453 nan 8.310 nan 0.000 0.482 62 G N 0.961 109.242 108.800 -0.865 0.000 2.356 62 G HA2 0.469 4.430 3.960 0.001 0.000 0.312 62 G HA3 0.469 4.430 3.960 0.001 0.000 0.312 62 G C -0.250 174.496 174.900 -0.256 0.000 1.096 62 G CA -0.273 44.461 45.100 -0.611 0.000 0.950 62 G HN 0.712 nan 8.290 nan 0.000 0.428 63 C N 4.361 123.497 119.300 -0.272 0.000 2.415 63 C HA 0.692 5.153 4.460 0.001 0.000 0.369 63 C C 0.303 175.284 174.990 -0.016 0.000 1.279 63 C CA -0.968 58.011 59.018 -0.065 0.000 1.886 63 C CB -1.342 26.330 27.740 -0.113 0.000 2.468 63 C HN 0.538 nan 8.230 nan 0.000 0.553 64 F N 5.166 125.082 119.950 -0.057 0.000 2.375 64 F HA 0.443 4.971 4.527 0.001 0.000 0.317 64 F C -1.574 174.242 175.800 0.027 0.000 1.124 64 F CA -2.197 55.796 58.000 -0.011 0.000 1.050 64 F CB 0.435 39.433 39.000 -0.004 0.000 1.314 64 F HN 0.388 nan 8.300 nan 0.000 0.511 65 P HA -0.015 nan 4.420 nan 0.000 0.269 65 P C -0.950 176.468 177.300 0.196 0.000 1.215 65 P CA -0.313 62.912 63.100 0.208 0.000 0.780 65 P CB 0.311 32.112 31.700 0.169 0.000 0.898 66 N N 1.061 119.890 118.700 0.216 0.000 2.415 66 N HA -0.031 4.710 4.740 0.001 0.000 0.248 66 N C 1.446 176.970 175.510 0.024 0.000 1.271 66 N CA 0.280 53.455 53.050 0.207 0.000 0.913 66 N CB 0.159 38.907 38.487 0.435 0.000 1.129 66 N HN 0.449 nan 8.380 nan 0.000 0.444 67 G N 0.417 109.161 108.800 -0.093 0.000 2.505 67 G HA2 -0.378 3.583 3.960 0.001 0.000 0.220 67 G HA3 -0.378 3.583 3.960 0.001 0.000 0.220 67 G C 1.458 176.256 174.900 -0.170 0.000 1.145 67 G CA 1.929 46.873 45.100 -0.260 0.000 0.761 67 G HN 0.839 nan 8.290 nan 0.000 0.571 68 T N -1.284 113.123 114.554 -0.245 0.000 2.995 68 T HA 0.140 4.491 4.350 0.001 0.000 0.269 68 T C 2.360 176.507 174.700 -0.922 0.000 1.091 68 T CA 1.395 63.254 62.100 -0.402 0.000 1.128 68 T CB -0.281 68.391 68.868 -0.327 0.000 0.891 68 T HN 0.267 nan 8.240 nan 0.000 0.492 69 G N 2.081 110.291 108.800 -0.983 0.000 2.414 69 G HA2 -0.018 3.942 3.960 0.001 0.000 0.215 69 G HA3 -0.018 3.942 3.960 0.001 0.000 0.215 69 G C 1.475 176.148 174.900 -0.379 0.000 1.188 69 G CA 0.635 45.094 45.100 -1.068 0.000 0.783 69 G HN 0.503 nan 8.290 nan 0.000 0.537 70 L N 0.862 122.000 121.223 -0.142 0.000 2.021 70 L HA -0.202 4.139 4.340 0.001 0.000 0.215 70 L C 3.319 180.156 176.870 -0.055 0.000 1.074 70 L CA 1.435 56.276 54.840 0.001 0.000 0.760 70 L CB -0.472 41.681 42.059 0.157 0.000 0.889 70 L HN 0.324 nan 8.230 nan 0.000 0.433 71 A N -1.321 121.455 122.820 -0.073 0.000 2.067 71 A HA -0.083 4.237 4.320 0.001 0.000 0.217 71 A C 2.401 179.807 177.584 -0.297 0.000 1.156 71 A CA 1.349 53.251 52.037 -0.225 0.000 0.683 71 A CB -0.322 18.586 19.000 -0.154 0.000 0.808 71 A HN 0.350 nan 8.150 nan 0.000 0.455 72 S N -0.076 115.527 115.700 -0.161 0.000 2.481 72 S HA -0.103 4.367 4.470 0.001 0.000 0.231 72 S C 2.093 176.806 174.600 0.188 0.000 0.996 72 S CA 1.480 59.721 58.200 0.068 0.000 0.942 72 S CB -0.491 62.769 63.200 0.099 0.000 0.768 72 S HN 0.905 nan 8.310 nan 0.000 0.520 73 T N -0.734 113.861 114.554 0.068 0.000 2.929 73 T HA -0.044 4.306 4.350 0.001 0.000 0.271 73 T C 0.820 175.627 174.700 0.178 0.000 1.085 73 T CA 0.475 62.633 62.100 0.096 0.000 1.125 73 T CB -0.956 67.942 68.868 0.051 0.000 0.874 73 T HN 0.344 nan 8.240 nan 0.000 0.494 74 F N 1.443 121.298 119.950 -0.158 0.000 3.019 74 F HA -0.148 4.380 4.527 0.002 0.000 0.259 74 F C 0.137 175.981 175.800 0.072 0.000 0.976 74 F CA 0.694 58.556 58.000 -0.230 0.000 0.876 74 F CB -1.448 37.359 39.000 -0.322 0.000 0.784 74 F HN 0.322 nan 8.300 nan 0.000 0.786 75 D N 0.051 120.554 120.400 0.172 0.000 2.389 75 D HA 0.271 4.912 4.640 0.001 0.000 0.256 75 D C 1.108 177.458 176.300 0.082 0.000 1.239 75 D CA -0.491 53.599 54.000 0.151 0.000 0.925 75 D CB 0.632 41.485 40.800 0.090 0.000 1.145 75 D HN 0.167 nan 8.370 nan 0.000 0.542 76 R N 1.525 122.076 120.500 0.085 0.000 2.091 76 R HA -0.125 4.216 4.340 0.001 0.000 0.238 76 R C 0.820 177.098 176.300 -0.037 0.000 1.136 76 R CA 1.146 57.232 56.100 -0.024 0.000 0.959 76 R CB 0.184 30.423 30.300 -0.102 0.000 0.856 76 R HN 0.401 nan 8.270 nan 0.000 0.437 77 D N 0.784 121.174 120.400 -0.017 0.000 2.097 77 D HA -0.135 4.505 4.640 0.001 0.000 0.197 77 D C 1.870 178.169 176.300 -0.002 0.000 0.984 77 D CA 0.838 54.828 54.000 -0.016 0.000 0.826 77 D CB -0.212 40.582 40.800 -0.010 0.000 0.973 77 D HN 0.036 nan 8.370 nan 0.000 0.460 78 L N 0.762 121.993 121.223 0.012 0.000 2.083 78 L HA -0.088 4.253 4.340 0.001 0.000 0.209 78 L C 2.172 179.058 176.870 0.027 0.000 1.083 78 L CA 1.283 56.138 54.840 0.026 0.000 0.752 78 L CB -0.511 41.569 42.059 0.036 0.000 0.899 78 L HN 0.012 nan 8.230 nan 0.000 0.433 79 L N -0.743 120.480 121.223 -0.000 0.000 2.093 79 L HA -0.203 4.138 4.340 0.001 0.000 0.208 79 L C 2.543 179.396 176.870 -0.028 0.000 1.085 79 L CA 1.561 56.387 54.840 -0.025 0.000 0.755 79 L CB -0.487 41.512 42.059 -0.100 0.000 0.904 79 L HN 0.432 nan 8.230 nan 0.000 0.435 80 E N -0.333 119.847 120.200 -0.033 0.000 2.072 80 E HA -0.191 4.160 4.350 0.001 0.000 0.191 80 E C 1.970 178.573 176.600 0.004 0.000 0.985 80 E CA 1.610 57.994 56.400 -0.028 0.000 0.801 80 E CB 0.138 29.816 29.700 -0.037 0.000 0.750 80 E HN 0.334 nan 8.360 nan 0.000 0.452 81 T N 0.554 115.120 114.554 0.020 0.000 2.720 81 T HA -0.166 4.185 4.350 0.001 0.000 0.268 81 T C 1.836 176.589 174.700 0.088 0.000 1.037 81 T CA 1.342 63.469 62.100 0.046 0.000 1.144 81 T CB -0.342 68.552 68.868 0.043 0.000 0.864 81 T HN 0.352 nan 8.240 nan 0.000 0.444 82 A N 1.296 124.182 122.820 0.110 0.000 1.908 82 A HA 0.059 4.380 4.320 0.001 0.000 0.218 82 A C 2.618 180.245 177.584 0.072 0.000 1.181 82 A CA 1.954 54.117 52.037 0.210 0.000 0.627 82 A CB -1.343 17.778 19.000 0.202 0.000 0.818 82 A HN 0.524 nan 8.150 nan 0.000 0.445 83 G N -0.327 108.468 108.800 -0.008 0.000 2.422 83 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 83 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 83 G C 1.649 176.541 174.900 -0.012 0.000 1.146 83 G CA 1.077 46.143 45.100 -0.057 0.000 0.769 83 G HN 0.604 nan 8.290 nan 0.000 0.547 84 K N -0.614 119.803 120.400 0.029 0.000 2.057 84 K HA 0.021 4.342 4.320 0.001 0.000 0.207 84 K C 1.350 177.997 176.600 0.078 0.000 1.049 84 K CA 0.118 56.433 56.287 0.046 0.000 0.931 84 K CB -0.288 32.239 32.500 0.045 0.000 0.714 84 K HN 0.288 nan 8.250 nan 0.000 0.440 88 K N 0.619 121.057 120.400 0.063 0.000 2.097 88 K HA -0.069 4.252 4.320 0.001 0.000 0.205 88 K C 1.504 178.148 176.600 0.074 0.000 1.050 88 K CA 1.368 57.694 56.287 0.065 0.000 0.938 88 K CB -0.047 32.498 32.500 0.076 0.000 0.718 88 K HN 0.478 nan 8.250 nan 0.000 0.442 89 E N 0.515 120.776 120.200 0.101 0.000 2.110 89 E HA -0.149 4.202 4.350 0.001 0.000 0.193 89 E C 2.058 178.686 176.600 0.047 0.000 0.988 89 E CA 0.882 57.344 56.400 0.103 0.000 0.804 89 E CB -0.099 29.694 29.700 0.156 0.000 0.745 89 E HN 0.119 nan 8.360 nan 0.000 0.458 90 S N 0.349 116.062 115.700 0.022 0.000 2.371 90 S HA -0.046 4.425 4.470 0.001 0.000 0.224 90 S C 2.090 176.695 174.600 0.008 0.000 1.029 90 S CA 0.385 58.580 58.200 -0.007 0.000 0.978 90 S CB -0.087 63.104 63.200 -0.016 0.000 0.833 90 S HN 0.144 nan 8.310 nan 0.000 0.466 91 I N 1.718 122.302 120.570 0.023 0.000 2.264 91 I HA -0.185 3.986 4.170 0.001 0.000 0.248 91 I C 2.685 178.818 176.117 0.026 0.000 1.111 91 I CA 1.142 62.457 61.300 0.025 0.000 1.382 91 I CB -0.431 37.585 38.000 0.026 0.000 1.060 91 I HN 0.355 nan 8.210 nan 0.000 0.418 92 A N 0.230 123.070 122.820 0.034 0.000 2.019 92 A HA -0.164 4.156 4.320 0.001 0.000 0.219 92 A C 2.020 179.622 177.584 0.030 0.000 1.164 92 A CA 1.402 53.462 52.037 0.038 0.000 0.644 92 A CB -0.227 18.809 19.000 0.061 0.000 0.805 92 A HN 0.227 nan 8.150 nan 0.000 0.449 93 K N -0.496 119.912 120.400 0.015 0.000 2.417 93 K HA 0.091 4.411 4.320 0.001 0.000 0.196 93 K C -0.138 176.466 176.600 0.007 0.000 1.023 93 K CA 0.232 56.516 56.287 -0.004 0.000 1.122 93 K CB -0.498 31.972 32.500 -0.050 0.000 0.850 93 K HN 0.642 nan 8.250 nan 0.000 0.521 94 N N 0.555 119.267 118.700 0.020 0.000 2.708 94 N HA -0.220 4.521 4.740 0.001 0.000 0.249 94 N C -0.684 174.847 175.510 0.036 0.000 1.097 94 N CA 0.494 53.564 53.050 0.034 0.000 0.710 94 N CB -0.575 37.941 38.487 0.049 0.000 1.032 94 N HN 0.309 nan 8.380 nan 0.000 0.551 95 A N -0.245 122.581 122.820 0.009 0.000 2.260 95 A HA 0.724 5.045 4.320 0.001 0.000 0.308 95 A C 1.068 178.664 177.584 0.021 0.000 1.254 95 A CA 0.148 52.185 52.037 0.001 0.000 0.874 95 A CB 1.017 19.983 19.000 -0.056 0.000 1.153 95 A HN 0.379 nan 8.150 nan 0.000 0.527 96 A N 2.592 125.440 122.820 0.047 0.000 2.178 96 A HA 0.460 4.781 4.320 0.001 0.000 0.211 96 A C 0.461 178.094 177.584 0.082 0.000 1.157 96 A CA 0.684 52.762 52.037 0.069 0.000 0.780 96 A CB 0.108 19.156 19.000 0.080 0.000 0.828 96 A HN 0.850 nan 8.150 nan 0.000 0.476 97 V N 0.959 120.903 119.914 0.050 0.000 2.623 97 V HA 0.371 4.491 4.120 0.001 0.000 0.304 97 V C -0.785 175.300 176.094 -0.015 0.000 1.054 97 V CA -0.495 61.823 62.300 0.031 0.000 0.882 97 V CB 1.764 33.615 31.823 0.047 0.000 1.002 97 V HN 0.321 nan 8.190 nan 0.000 0.424 98 I N 4.910 125.456 120.570 -0.040 0.000 2.385 98 I HA 0.368 4.539 4.170 0.001 0.000 0.294 98 I C -0.044 176.016 176.117 -0.096 0.000 0.988 98 I CA -0.536 60.714 61.300 -0.084 0.000 1.265 98 I CB 1.525 39.465 38.000 -0.099 0.000 1.388 98 I HN 0.416 nan 8.210 nan 0.000 0.480 99 L N 6.633 127.780 121.223 -0.127 0.000 2.423 99 L HA 0.526 4.867 4.340 0.001 0.000 0.249 99 L C 0.503 177.272 176.870 -0.168 0.000 1.276 99 L CA -0.170 54.586 54.840 -0.140 0.000 1.199 99 L CB -0.849 41.105 42.059 -0.175 0.000 1.407 99 L HN 0.855 nan 8.230 nan 0.000 0.410 100 G N 1.770 110.478 108.800 -0.154 0.000 2.328 100 G HA2 0.314 4.274 3.960 0.001 0.000 0.295 100 G HA3 0.314 4.274 3.960 0.001 0.000 0.295 100 G C -3.336 171.481 174.900 -0.139 0.000 1.413 100 G CA -0.714 44.279 45.100 -0.179 0.000 0.817 100 G HN -0.027 nan 8.290 nan 0.000 0.546 101 P HA 0.422 nan 4.420 nan 0.000 0.276 101 P C -0.282 176.863 177.300 -0.257 0.000 1.261 101 P CA -0.022 62.977 63.100 -0.170 0.000 0.800 101 P CB 0.850 32.565 31.700 0.026 0.000 1.066 102 T N 0.160 114.482 114.554 -0.387 0.000 2.795 102 T HA 0.423 4.774 4.350 0.001 0.000 0.282 102 T C 0.279 174.754 174.700 -0.375 0.000 0.980 102 T CA -0.030 61.843 62.100 -0.377 0.000 1.012 102 T CB 0.320 68.968 68.868 -0.366 0.000 0.936 102 T HN 0.391 nan 8.240 nan 0.000 0.457 103 T N 3.200 117.618 114.554 -0.228 0.000 3.967 103 T HA 0.260 4.611 4.350 0.001 0.000 0.262 103 T C 0.047 174.756 174.700 0.015 0.000 0.966 103 T CA -0.590 61.424 62.100 -0.143 0.000 1.169 103 T CB -0.681 68.097 68.868 -0.150 0.000 1.038 103 T HN 0.543 nan 8.240 nan 0.000 0.541 107 R N -0.763 119.829 120.500 0.153 0.000 2.148 107 R HA 0.244 4.585 4.340 0.001 0.000 0.223 107 R C 0.603 176.890 176.300 -0.022 0.000 1.088 107 R CA 1.221 57.371 56.100 0.083 0.000 0.985 107 R CB 0.318 30.672 30.300 0.090 0.000 0.880 107 R HN 0.278 nan 8.270 nan 0.000 0.451 108 G N 0.466 109.203 108.800 -0.106 0.000 2.630 108 G HA2 0.394 4.355 3.960 0.001 0.000 0.296 108 G HA3 0.394 4.355 3.960 0.001 0.000 0.296 108 G C -2.353 172.263 174.900 -0.475 0.000 1.285 108 G CA -1.604 43.227 45.100 -0.449 0.000 0.958 108 G HN -0.138 nan 8.290 nan 0.000 0.479 109 P HA 0.059 nan 4.420 nan 0.000 0.236 109 P C 1.235 178.378 177.300 -0.263 0.000 1.177 109 P CA 0.330 63.265 63.100 -0.275 0.000 0.773 109 P CB 0.446 31.993 31.700 -0.255 0.000 0.878 110 L N -0.817 120.132 121.223 -0.458 0.000 2.592 110 L HA 0.225 4.566 4.340 0.001 0.000 0.227 110 L C 1.360 178.351 176.870 0.202 0.000 1.127 110 L CA -0.290 54.466 54.840 -0.140 0.000 0.884 110 L CB -0.695 41.292 42.059 -0.119 0.000 1.065 110 L HN -0.061 nan 8.230 nan 0.000 0.457 111 G N -0.297 108.680 108.800 0.295 0.000 2.380 111 G HA2 0.214 4.175 3.960 0.001 0.000 0.242 111 G HA3 0.214 4.175 3.960 0.001 0.000 0.242 111 G C 1.088 176.173 174.900 0.309 0.000 1.298 111 G CA 0.187 45.583 45.100 0.492 0.000 0.878 111 G HN 0.293 nan 8.290 nan 0.000 0.542 112 G N 1.352 110.314 108.800 0.270 0.000 2.443 112 G HA2 -0.149 3.812 3.960 0.001 0.000 0.219 112 G HA3 -0.149 3.812 3.960 0.001 0.000 0.219 112 G C 1.492 176.566 174.900 0.291 0.000 1.131 112 G CA 0.130 45.364 45.100 0.223 0.000 0.775 112 G HN 0.605 nan 8.290 nan 0.000 0.547 113 R N 0.419 121.020 120.500 0.167 0.000 2.466 113 R HA 0.179 4.520 4.340 0.001 0.000 0.279 113 R C 2.379 178.564 176.300 -0.191 0.000 0.976 113 R CA 0.246 56.303 56.100 -0.072 0.000 1.081 113 R CB 0.397 30.648 30.300 -0.083 0.000 1.215 113 R HN 0.270 nan 8.270 nan 0.000 0.546 114 G N 1.631 110.465 108.800 0.057 0.000 2.442 114 G HA2 -0.319 3.642 3.960 0.001 0.000 0.219 114 G HA3 -0.319 3.642 3.960 0.001 0.000 0.219 114 G C 1.272 176.173 174.900 0.002 0.000 1.141 114 G CA 0.769 45.904 45.100 0.058 0.000 0.763 114 G HN 0.471 nan 8.290 nan 0.000 0.554 115 F N 0.833 120.849 119.950 0.109 0.000 2.250 115 F HA 0.077 4.604 4.527 0.001 0.000 0.301 115 F C 2.055 177.870 175.800 0.026 0.000 1.077 115 F CA 1.509 59.579 58.000 0.117 0.000 1.348 115 F CB -0.271 38.879 39.000 0.249 0.000 1.040 115 F HN 0.314 nan 8.300 nan 0.000 0.509 116 E N 0.460 120.025 120.200 -1.057 0.000 2.250 116 E HA 0.037 4.388 4.350 0.001 0.000 0.192 116 E C 0.830 177.089 176.600 -0.569 0.000 0.986 116 E CA 0.307 56.147 56.400 -0.934 0.000 0.849 116 E CB 0.181 29.194 29.700 -1.145 0.000 0.797 116 E HN 0.438 nan 8.360 nan 0.000 0.482 117 S N -0.785 114.645 115.700 -0.451 0.000 2.646 117 S HA 0.233 4.704 4.470 0.001 0.000 0.273 117 S C 0.426 174.778 174.600 -0.414 0.000 1.168 117 S CA -0.742 57.197 58.200 -0.435 0.000 1.013 117 S CB 0.356 63.443 63.200 -0.189 0.000 1.098 117 S HN 0.141 nan 8.310 nan 0.000 0.544 118 F N 0.785 120.660 119.950 -0.125 0.000 2.343 118 F HA 0.394 4.921 4.527 0.001 0.000 0.286 118 F C 1.328 177.065 175.800 -0.106 0.000 1.057 118 F CA 0.301 58.214 58.000 -0.146 0.000 1.365 118 F CB 0.071 38.971 39.000 -0.167 0.000 1.114 118 F HN 0.421 nan 8.300 nan 0.000 0.545 119 S N -1.029 114.760 115.700 0.149 0.000 2.556 119 S HA 0.162 4.633 4.470 0.001 0.000 0.280 119 S C 0.290 174.969 174.600 0.132 0.000 1.141 119 S CA -0.536 57.755 58.200 0.152 0.000 0.883 119 S CB 0.795 64.083 63.200 0.146 0.000 1.103 119 S HN 0.407 nan 8.310 nan 0.000 0.453 120 E N 1.498 121.795 120.200 0.161 0.000 2.338 120 E HA -0.100 4.251 4.350 0.001 0.000 0.197 120 E C 0.089 176.693 176.600 0.007 0.000 1.007 120 E CA 0.786 57.240 56.400 0.091 0.000 0.849 120 E CB -0.110 29.672 29.700 0.136 0.000 0.774 120 E HN 0.494 nan 8.360 nan 0.000 0.506 121 D N 1.585 122.003 120.400 0.030 0.000 2.280 121 D HA 0.078 4.718 4.640 0.001 0.000 0.243 121 D C -1.481 174.851 176.300 0.054 0.000 1.129 121 D CA -2.571 51.425 54.000 -0.007 0.000 0.848 121 D CB 1.575 42.347 40.800 -0.046 0.000 1.107 121 D HN -0.187 nan 8.370 nan 0.000 0.471 122 P HA -0.148 nan 4.420 nan 0.000 0.222 122 P C 1.009 178.373 177.300 0.106 0.000 1.153 122 P CA 0.730 63.867 63.100 0.061 0.000 0.798 122 P CB 0.102 31.839 31.700 0.061 0.000 0.796 123 Y N 1.189 121.530 120.300 0.069 0.000 2.184 123 Y HA -0.111 4.440 4.550 0.002 0.000 0.290 123 Y C 2.369 178.332 175.900 0.106 0.000 1.129 123 Y CA 1.064 59.221 58.100 0.096 0.000 1.144 123 Y CB -0.983 37.564 38.460 0.144 0.000 0.995 123 Y HN -0.245 nan 8.280 nan 0.000 0.513 124 L N 0.616 121.898 121.223 0.098 0.000 2.083 124 L HA -0.056 4.284 4.340 0.001 0.000 0.209 124 L C 2.334 179.065 176.870 -0.232 0.000 1.083 124 L CA 2.156 56.913 54.840 -0.138 0.000 0.752 124 L CB -1.269 40.653 42.059 -0.229 0.000 0.899 124 L HN 0.235 nan 8.230 nan 0.000 0.433 125 A N -0.261 122.495 122.820 -0.107 0.000 1.877 125 A HA 0.126 4.447 4.320 0.001 0.000 0.216 125 A C 1.682 179.149 177.584 -0.194 0.000 1.186 125 A CA 1.020 53.004 52.037 -0.087 0.000 0.620 125 A CB -1.651 17.370 19.000 0.035 0.000 0.822 125 A HN 0.516 nan 8.150 nan 0.000 0.443 129 T N 0.540 114.713 114.554 -0.635 0.000 2.684 129 T HA -0.163 4.188 4.350 0.001 0.000 0.267 129 T C 2.139 176.725 174.700 -0.191 0.000 1.036 129 T CA 2.404 64.371 62.100 -0.223 0.000 1.148 129 T CB -0.357 68.428 68.868 -0.138 0.000 0.863 129 T HN 0.644 nan 8.240 nan 0.000 0.436 130 S N 0.800 116.376 115.700 -0.207 0.000 2.383 130 S HA -0.142 4.329 4.470 0.001 0.000 0.229 130 S C 2.289 176.807 174.600 -0.135 0.000 1.030 130 S CA 1.776 59.892 58.200 -0.140 0.000 1.002 130 S CB -0.493 62.639 63.200 -0.112 0.000 0.829 130 S HN 0.477 nan 8.310 nan 0.000 0.467 131 S N 0.839 116.430 115.700 -0.182 0.000 2.368 131 S HA -0.042 4.429 4.470 0.001 0.000 0.224 131 S C 1.938 176.471 174.600 -0.112 0.000 1.029 131 S CA 1.306 59.419 58.200 -0.146 0.000 0.988 131 S CB -0.602 62.502 63.200 -0.160 0.000 0.838 131 S HN 0.443 nan 8.310 nan 0.000 0.462 132 V N 1.846 121.683 119.914 -0.128 0.000 2.255 132 V HA -0.169 3.952 4.120 0.001 0.000 0.247 132 V C 2.384 178.439 176.094 -0.064 0.000 1.051 132 V CA 1.567 63.820 62.300 -0.077 0.000 1.018 132 V CB -0.972 30.837 31.823 -0.023 0.000 0.641 132 V HN 0.335 nan 8.190 nan 0.000 0.445 133 V N -0.239 119.636 119.914 -0.065 0.000 2.287 133 V HA -0.337 3.784 4.120 0.001 0.000 0.248 133 V C 2.478 178.553 176.094 -0.032 0.000 1.053 133 V CA 2.292 64.562 62.300 -0.051 0.000 1.027 133 V CB -0.796 30.995 31.823 -0.054 0.000 0.646 133 V HN 0.539 nan 8.190 nan 0.000 0.447 134 K N 0.175 120.555 120.400 -0.033 0.000 2.074 134 K HA -0.092 4.229 4.320 0.001 0.000 0.209 134 K C 1.366 177.962 176.600 -0.005 0.000 1.048 134 K CA 1.117 57.395 56.287 -0.016 0.000 0.926 134 K CB -0.601 31.881 32.500 -0.029 0.000 0.713 134 K HN 0.600 nan 8.250 nan 0.000 0.444 138 G N 1.517 110.365 108.800 0.080 0.000 2.462 138 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 138 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 138 G C 1.151 176.080 174.900 0.049 0.000 1.121 138 G CA 0.826 45.959 45.100 0.056 0.000 0.758 138 G HN 0.103 nan 8.290 nan 0.000 0.559 139 E N 0.189 120.421 120.200 0.054 0.000 2.489 139 E HA 0.167 4.518 4.350 0.001 0.000 0.193 139 E C 1.812 178.435 176.600 0.039 0.000 1.057 139 E CA 0.547 56.971 56.400 0.039 0.000 0.866 139 E CB -0.022 29.700 29.700 0.037 0.000 0.916 139 E HN 0.460 nan 8.360 nan 0.000 0.500 140 G N 1.118 109.962 108.800 0.072 0.000 2.175 140 G HA2 -0.211 3.749 3.960 0.001 0.000 0.244 140 G HA3 -0.211 3.749 3.960 0.001 0.000 0.244 140 G C 0.184 175.183 174.900 0.165 0.000 0.982 140 G CA -0.183 44.928 45.100 0.018 0.000 0.641 140 G HN 0.186 nan 8.290 nan 0.000 0.527 141 I N 1.593 122.297 120.570 0.224 0.000 2.354 141 I HA 0.644 4.814 4.170 0.001 0.000 0.292 141 I C 0.939 177.184 176.117 0.212 0.000 0.989 141 I CA -0.968 60.460 61.300 0.213 0.000 1.188 141 I CB 1.065 39.119 38.000 0.090 0.000 1.342 141 I HN 0.330 nan 8.210 nan 0.000 0.457 142 A N 5.555 128.481 122.820 0.178 0.000 2.450 142 A HA 0.626 4.947 4.320 0.001 0.000 0.255 142 A C 0.447 177.982 177.584 -0.082 0.000 1.096 142 A CA -0.211 51.751 52.037 -0.126 0.000 0.778 142 A CB 0.248 19.155 19.000 -0.156 0.000 1.031 142 A HN 0.866 nan 8.150 nan 0.000 0.494 143 A N 2.006 124.759 122.820 -0.112 0.000 2.252 143 A HA 0.751 5.072 4.320 0.001 0.000 0.305 143 A C 0.262 177.814 177.584 -0.054 0.000 1.097 143 A CA -0.309 51.684 52.037 -0.074 0.000 0.849 143 A CB 0.607 19.566 19.000 -0.068 0.000 1.142 143 A HN 0.877 nan 8.150 nan 0.000 0.499 144 T N 1.196 115.718 114.554 -0.053 0.000 3.077 144 T HA 0.375 4.725 4.350 0.001 0.000 0.359 144 T C -0.628 174.039 174.700 -0.055 0.000 1.108 144 T CA -0.299 61.784 62.100 -0.027 0.000 1.170 144 T CB 0.507 69.356 68.868 -0.031 0.000 1.045 144 T HN 0.453 nan 8.240 nan 0.000 0.505 145 V N 5.190 125.080 119.914 -0.039 0.000 2.572 145 V HA 0.362 4.483 4.120 0.001 0.000 0.291 145 V C 0.511 176.639 176.094 0.056 0.000 1.039 145 V CA -0.058 62.207 62.300 -0.058 0.000 1.055 145 V CB 0.163 31.929 31.823 -0.095 0.000 0.969 145 V HN 0.804 nan 8.190 nan 0.000 0.482 146 K N 3.408 123.779 120.400 -0.048 0.000 2.480 146 K HA 0.674 4.995 4.320 0.001 0.000 0.258 146 K C -1.491 175.083 176.600 -0.043 0.000 0.990 146 K CA -1.097 55.133 56.287 -0.096 0.000 0.857 146 K CB 1.944 34.119 32.500 -0.542 0.000 1.384 146 K HN 0.625 nan 8.250 nan 0.000 0.446 147 H N 0.406 119.658 119.070 0.304 0.000 2.476 147 H HA 0.309 4.866 4.556 0.001 0.000 0.328 147 H C -1.562 173.910 175.328 0.239 0.000 1.073 147 H CA -0.548 55.627 56.048 0.211 0.000 1.229 147 H CB 0.920 30.711 29.762 0.048 0.000 1.432 147 H HN 0.437 nan 8.280 nan 0.000 0.477 148 F N 4.708 124.635 119.950 -0.038 0.000 2.404 148 F HA 0.438 4.966 4.527 0.002 0.000 0.359 148 F C -0.575 175.089 175.800 -0.227 0.000 1.134 148 F CA -0.312 57.420 58.000 -0.448 0.000 1.160 148 F CB 0.028 38.680 39.000 -0.581 0.000 1.186 148 F HN 0.354 nan 8.300 nan 0.000 0.526 149 V N 5.030 124.662 119.914 -0.470 0.000 3.188 149 V HA 0.397 4.518 4.120 0.001 0.000 0.305 149 V C -0.390 175.581 176.094 -0.205 0.000 1.232 149 V CA -0.813 61.229 62.300 -0.430 0.000 1.043 149 V CB 1.934 33.203 31.823 -0.924 0.000 1.068 149 V HN 0.853 nan 8.190 nan 0.000 0.439 150 C N 2.603 121.875 119.300 -0.047 0.000 4.497 150 C HA -0.103 4.358 4.460 0.001 0.000 0.292 150 C C 0.728 175.722 174.990 0.006 0.000 1.366 150 C CA 0.847 59.828 59.018 -0.062 0.000 1.987 150 C CB -2.789 24.766 27.740 -0.309 0.000 1.241 150 C HN 1.009 nan 8.230 nan 0.000 0.788 151 N N 1.254 119.993 118.700 0.065 0.000 3.245 151 N HA 0.176 4.917 4.740 0.001 0.000 0.296 151 N C 0.588 176.150 175.510 0.087 0.000 1.254 151 N CA 0.070 53.153 53.050 0.054 0.000 1.190 151 N CB 0.086 38.594 38.487 0.034 0.000 1.460 151 N HN 0.485 nan 8.380 nan 0.000 0.538 152 D N 0.943 121.389 120.400 0.076 0.000 2.363 152 D HA 0.111 4.752 4.640 0.001 0.000 0.214 152 D C -0.035 176.260 176.300 -0.009 0.000 1.093 152 D CA 0.123 54.182 54.000 0.098 0.000 0.837 152 D CB 0.417 41.301 40.800 0.140 0.000 0.948 152 D HN 0.402 nan 8.370 nan 0.000 0.507 153 L N -3.202 117.953 121.223 -0.114 0.000 2.671 153 L HA 0.464 4.805 4.340 0.001 0.000 0.259 153 L C 0.251 177.079 176.870 -0.070 0.000 1.021 153 L CA -0.722 53.997 54.840 -0.201 0.000 0.871 153 L CB 1.327 42.899 42.059 -0.810 0.000 1.472 153 L HN -0.470 nan 8.230 nan 0.000 0.410 154 E N -0.479 119.722 120.200 0.002 0.000 2.364 154 E HA 0.029 4.380 4.350 0.001 0.000 0.196 154 E C -0.404 176.242 176.600 0.077 0.000 0.990 154 E CA 0.456 56.898 56.400 0.070 0.000 0.886 154 E CB 0.126 29.900 29.700 0.124 0.000 0.866 154 E HN 0.871 nan 8.360 nan 0.000 0.493 155 D N 1.907 122.332 120.400 0.041 0.000 2.479 155 D HA -0.107 4.534 4.640 0.001 0.000 0.257 155 D C -0.182 176.139 176.300 0.036 0.000 1.230 155 D CA 0.670 54.698 54.000 0.047 0.000 0.912 155 D CB 0.093 40.890 40.800 -0.004 0.000 1.130 155 D HN -0.042 nan 8.370 nan 0.000 0.515 156 Q N 1.298 121.145 119.800 0.079 0.000 2.475 156 Q HA -0.327 4.014 4.340 0.001 0.000 0.280 156 Q C 1.190 177.257 176.000 0.111 0.000 1.234 156 Q CA 0.938 56.793 55.803 0.088 0.000 0.873 156 Q CB -0.958 27.804 28.738 0.040 0.000 1.256 156 Q HN 0.735 nan 8.270 nan 0.000 0.475 157 R N -0.803 119.772 120.500 0.125 0.000 2.159 157 R HA -0.149 4.192 4.340 0.001 0.000 0.237 157 R C 1.260 177.632 176.300 0.119 0.000 1.131 157 R CA 1.840 57.993 56.100 0.088 0.000 0.982 157 R CB -0.476 29.861 30.300 0.061 0.000 0.868 157 R HN 0.319 nan 8.270 nan 0.000 0.453 158 F N 1.928 121.887 119.950 0.015 0.000 2.365 158 F HA -0.093 4.435 4.527 0.001 0.000 0.300 158 F C 2.299 178.181 175.800 0.137 0.000 1.090 158 F CA 1.474 59.533 58.000 0.099 0.000 1.408 158 F CB 0.220 39.252 39.000 0.053 0.000 1.060 158 F HN 0.238 nan 8.300 nan 0.000 0.534 159 S N -2.784 113.054 115.700 0.231 0.000 2.632 159 S HA 0.118 4.589 4.470 0.001 0.000 0.237 159 S C 0.707 175.294 174.600 -0.022 0.000 1.037 159 S CA -0.381 57.880 58.200 0.102 0.000 1.009 159 S CB -0.268 62.979 63.200 0.078 0.000 0.974 159 S HN 0.022 nan 8.310 nan 0.000 0.544 160 S N 3.174 118.873 115.700 -0.001 0.000 2.515 160 S HA 0.237 4.708 4.470 0.001 0.000 0.285 160 S C -0.198 174.341 174.600 -0.101 0.000 1.265 160 S CA -0.348 57.827 58.200 -0.042 0.000 1.079 160 S CB -0.354 62.830 63.200 -0.027 0.000 0.877 160 S HN 0.503 nan 8.310 nan 0.000 0.493 161 N N 3.849 122.481 118.700 -0.113 0.000 2.500 161 N HA 0.204 4.945 4.740 0.001 0.000 0.236 161 N C -1.021 174.399 175.510 -0.150 0.000 1.022 161 N CA -0.212 52.744 53.050 -0.156 0.000 0.935 161 N CB 0.658 39.057 38.487 -0.147 0.000 1.147 161 N HN 0.412 nan 8.380 nan 0.000 0.512 162 S N 4.172 119.746 115.700 -0.210 0.000 2.430 162 S HA 0.300 4.771 4.470 0.001 0.000 0.282 162 S C 0.548 174.875 174.600 -0.456 0.000 1.186 162 S CA -0.419 57.581 58.200 -0.333 0.000 1.060 162 S CB -0.042 62.867 63.200 -0.485 0.000 0.966 162 S HN 0.449 nan 8.310 nan 0.000 0.501 163 I N 4.091 124.438 120.570 -0.372 0.000 2.306 163 I HA 0.442 4.612 4.170 0.001 0.000 0.288 163 I C -0.294 175.605 176.117 -0.362 0.000 1.036 163 I CA -0.474 60.653 61.300 -0.289 0.000 1.221 163 I CB 1.033 38.955 38.000 -0.131 0.000 1.385 163 I HN 0.290 nan 8.210 nan 0.000 0.472 164 V N 5.939 125.617 119.914 -0.392 0.000 2.808 164 V HA 0.459 4.579 4.120 0.001 0.000 0.308 164 V C 0.061 176.039 176.094 -0.193 0.000 1.099 164 V CA -0.368 61.709 62.300 -0.372 0.000 0.920 164 V CB 2.608 33.983 31.823 -0.747 0.000 1.014 164 V HN 0.828 nan 8.190 nan 0.000 0.425 165 S N 3.391 119.042 115.700 -0.082 0.000 2.593 165 S HA 0.230 4.700 4.470 0.001 0.000 0.269 165 S C 0.943 175.492 174.600 -0.084 0.000 1.334 165 S CA 0.676 58.844 58.200 -0.053 0.000 1.015 165 S CB 1.278 64.482 63.200 0.007 0.000 0.912 165 S HN 0.975 nan 8.310 nan 0.000 0.541 166 E N 1.069 121.217 120.200 -0.087 0.000 2.110 166 E HA -0.171 4.180 4.350 0.001 0.000 0.193 166 E C 2.176 178.636 176.600 -0.234 0.000 0.988 166 E CA 1.507 57.807 56.400 -0.166 0.000 0.804 166 E CB -0.184 29.459 29.700 -0.095 0.000 0.745 166 E HN 0.746 nan 8.360 nan 0.000 0.458 167 R N -0.384 120.086 120.500 -0.050 0.000 2.083 167 R HA -0.135 4.205 4.340 0.001 0.000 0.237 167 R C 2.159 178.423 176.300 -0.060 0.000 1.137 167 R CA 1.579 57.675 56.100 -0.007 0.000 0.951 167 R CB -0.398 29.968 30.300 0.109 0.000 0.851 167 R HN 0.251 nan 8.270 nan 0.000 0.434 168 A N 0.937 123.762 122.820 0.009 0.000 1.929 168 A HA -0.120 4.200 4.320 0.001 0.000 0.216 168 A C 2.025 179.720 177.584 0.185 0.000 1.176 168 A CA 0.983 53.082 52.037 0.104 0.000 0.628 168 A CB -0.562 18.560 19.000 0.203 0.000 0.816 168 A HN 0.386 nan 8.150 nan 0.000 0.444 169 L N -0.205 121.067 121.223 0.081 0.000 2.013 169 L HA -0.187 4.154 4.340 0.001 0.000 0.212 169 L C 2.420 179.300 176.870 0.018 0.000 1.073 169 L CA 1.966 56.843 54.840 0.061 0.000 0.753 169 L CB -0.451 41.520 42.059 -0.146 0.000 0.890 169 L HN 0.254 nan 8.230 nan 0.000 0.432 170 R N -0.166 120.215 120.500 -0.199 0.000 2.062 170 R HA -0.047 4.294 4.340 0.001 0.000 0.226 170 R C 2.153 178.503 176.300 0.082 0.000 1.125 170 R CA 1.632 57.583 56.100 -0.248 0.000 0.966 170 R CB -0.563 29.115 30.300 -1.036 0.000 0.861 170 R HN 0.573 nan 8.270 nan 0.000 0.433 171 E N -0.084 120.156 120.200 0.066 0.000 2.216 171 E HA -0.023 4.328 4.350 0.001 0.000 0.192 171 E C 1.589 178.258 176.600 0.116 0.000 0.988 171 E CA 0.597 57.132 56.400 0.226 0.000 0.834 171 E CB 0.255 30.057 29.700 0.169 0.000 0.772 171 E HN 0.181 nan 8.360 nan 0.000 0.479 172 I N -1.156 119.400 120.570 -0.024 0.000 3.443 172 I HA -0.023 4.147 4.170 0.001 0.000 0.277 172 I C 1.557 177.493 176.117 -0.302 0.000 1.169 172 I CA 0.797 61.926 61.300 -0.284 0.000 1.419 172 I CB -0.825 36.764 38.000 -0.684 0.000 1.331 172 I HN 0.040 nan 8.210 nan 0.000 0.458 173 Y N 0.935 121.330 120.300 0.160 0.000 2.301 173 Y HA 0.184 4.735 4.550 0.001 0.000 0.295 173 Y C 2.470 178.543 175.900 0.288 0.000 1.126 173 Y CA 0.662 58.877 58.100 0.192 0.000 1.154 173 Y CB -0.422 38.110 38.460 0.120 0.000 1.075 173 Y HN -0.102 nan 8.280 nan 0.000 0.534 174 L N 0.022 121.467 121.223 0.371 0.000 2.291 174 L HA -0.125 4.216 4.340 0.001 0.000 0.214 174 L C 2.270 179.491 176.870 0.584 0.000 1.120 174 L CA 1.113 56.248 54.840 0.491 0.000 0.799 174 L CB -0.220 42.078 42.059 0.399 0.000 0.925 174 L HN 0.190 nan 8.230 nan 0.000 0.446 175 E N 0.970 121.403 120.200 0.387 0.000 2.077 175 E HA -0.171 4.180 4.350 0.001 0.000 0.193 175 E C -0.690 176.015 176.600 0.176 0.000 0.989 175 E CA 1.372 57.944 56.400 0.286 0.000 0.800 175 E CB -0.858 28.985 29.700 0.240 0.000 0.746 175 E HN 0.281 nan 8.360 nan 0.000 0.452 176 P HA -0.102 nan 4.420 nan 0.000 0.223 176 P C 0.858 178.096 177.300 -0.104 0.000 1.151 176 P CA 1.059 64.146 63.100 -0.023 0.000 0.787 176 P CB -0.121 31.528 31.700 -0.085 0.000 0.788 177 F N 0.388 120.403 119.950 0.108 0.000 2.187 177 F HA 0.070 4.597 4.527 0.001 0.000 0.295 177 F C 2.986 178.687 175.800 -0.166 0.000 1.091 177 F CA 0.882 58.930 58.000 0.081 0.000 1.308 177 F CB -0.815 38.407 39.000 0.371 0.000 1.030 177 F HN -0.242 nan 8.300 nan 0.000 0.487 178 R N 0.818 121.236 120.500 -0.137 0.000 2.096 178 R HA -0.192 4.149 4.340 0.001 0.000 0.240 178 R C 2.140 178.140 176.300 -0.500 0.000 1.139 178 R CA 1.599 57.155 56.100 -0.907 0.000 0.952 178 R CB -0.615 29.321 30.300 -0.606 0.000 0.854 178 R HN 0.320 nan 8.270 nan 0.000 0.436 179 L N -0.051 121.026 121.223 -0.243 0.000 2.017 179 L HA -0.158 4.183 4.340 0.001 0.000 0.208 179 L C 2.741 179.522 176.870 -0.149 0.000 1.073 179 L CA 1.367 56.111 54.840 -0.160 0.000 0.745 179 L CB -0.577 41.448 42.059 -0.056 0.000 0.894 179 L HN 0.325 nan 8.230 nan 0.000 0.432 180 A N -0.386 122.340 122.820 -0.156 0.000 1.883 180 A HA -0.176 4.145 4.320 0.001 0.000 0.217 180 A C 2.354 179.854 177.584 -0.140 0.000 1.186 180 A CA 1.945 53.899 52.037 -0.138 0.000 0.624 180 A CB -0.921 17.978 19.000 -0.169 0.000 0.822 180 A HN 0.188 nan 8.150 nan 0.000 0.444 181 V N 0.282 120.071 119.914 -0.207 0.000 2.255 181 V HA -0.301 3.820 4.120 0.001 0.000 0.247 181 V C 2.592 178.592 176.094 -0.157 0.000 1.051 181 V CA 2.512 64.708 62.300 -0.174 0.000 1.018 181 V CB -0.635 31.041 31.823 -0.246 0.000 0.641 181 V HN 0.718 nan 8.190 nan 0.000 0.445 182 K N -1.101 119.109 120.400 -0.317 0.000 2.032 182 K HA -0.226 4.095 4.320 0.001 0.000 0.209 182 K C 2.141 178.502 176.600 -0.398 0.000 1.048 182 K CA 1.926 57.966 56.287 -0.411 0.000 0.927 182 K CB -0.152 31.959 32.500 -0.648 0.000 0.712 182 K HN 0.572 nan 8.250 nan 0.000 0.441 183 H N -1.928 117.074 119.070 -0.114 0.000 2.553 183 H HA 0.193 4.750 4.556 0.001 0.000 0.276 183 H C 1.196 176.481 175.328 -0.072 0.000 0.979 183 H CA 1.132 57.121 56.048 -0.099 0.000 1.268 183 H CB 0.908 30.594 29.762 -0.127 0.000 1.450 183 H HN 0.353 nan 8.280 nan 0.000 0.527 184 A N 0.106 122.943 122.820 0.029 0.000 2.340 184 A HA 0.082 4.403 4.320 0.001 0.000 0.213 184 A C 0.527 178.131 177.584 0.033 0.000 1.299 184 A CA 0.279 52.327 52.037 0.018 0.000 0.994 184 A CB 0.301 19.295 19.000 -0.010 0.000 1.132 184 A HN 0.285 nan 8.150 nan 0.000 0.519 185 N N 0.125 118.860 118.700 0.059 0.000 2.671 185 N HA -0.093 4.648 4.740 0.001 0.000 0.261 185 N C -2.698 172.915 175.510 0.171 0.000 1.053 185 N CA 0.801 53.948 53.050 0.162 0.000 0.732 185 N CB -0.854 37.702 38.487 0.116 0.000 0.887 185 N HN 0.348 nan 8.380 nan 0.000 0.546 186 P HA 0.009 nan 4.420 nan 0.000 0.269 186 P C 1.124 178.561 177.300 0.228 0.000 1.209 186 P CA -0.307 62.866 63.100 0.122 0.000 0.776 186 P CB 0.792 32.534 31.700 0.069 0.000 0.876 187 V N 1.323 121.204 119.914 -0.056 0.000 2.427 187 V HA -0.143 3.978 4.120 0.001 0.000 0.248 187 V C 1.177 177.306 176.094 0.058 0.000 1.051 187 V CA 1.620 63.815 62.300 -0.176 0.000 1.048 187 V CB -0.332 31.132 31.823 -0.598 0.000 0.666 187 V HN 0.630 nan 8.190 nan 0.000 0.456 188 C N -1.178 118.229 119.300 0.178 0.000 2.889 188 C HA 0.733 5.194 4.460 0.001 0.000 0.307 188 C C -0.074 175.080 174.990 0.274 0.000 1.251 188 C CA -0.941 58.234 59.018 0.263 0.000 1.593 188 C CB 1.794 29.596 27.740 0.104 0.000 2.104 188 C HN 0.295 nan 8.230 nan 0.000 0.476 192 A N 0.639 123.498 122.820 0.064 0.000 2.313 192 A HA 0.666 4.987 4.320 0.001 0.000 0.261 192 A C 0.563 178.119 177.584 -0.046 0.000 1.090 192 A CA -0.558 51.474 52.037 -0.008 0.000 0.807 192 A CB -0.163 18.848 19.000 0.018 0.000 1.055 192 A HN 0.903 nan 8.150 nan 0.000 0.492 193 Y N 0.796 121.061 120.300 -0.059 0.000 2.314 193 Y HA -0.105 4.445 4.550 0.001 0.000 0.293 193 Y C 1.781 177.728 175.900 0.078 0.000 1.129 193 Y CA 1.164 59.214 58.100 -0.082 0.000 1.201 193 Y CB -0.372 37.834 38.460 -0.423 0.000 0.999 193 Y HN 0.768 nan 8.280 nan 0.000 0.541 194 N N 1.378 120.181 118.700 0.171 0.000 2.327 194 N HA 0.042 4.783 4.740 0.001 0.000 0.257 194 N C -0.566 174.946 175.510 0.003 0.000 1.281 194 N CA -0.209 52.888 53.050 0.077 0.000 0.942 194 N CB 0.867 39.350 38.487 -0.007 0.000 1.199 194 N HN 0.107 nan 8.380 nan 0.000 0.532 195 K N -0.490 119.798 120.400 -0.187 0.000 2.095 195 K HA 0.521 4.842 4.320 0.001 0.000 0.252 195 K C -0.834 175.623 176.600 -0.239 0.000 0.977 195 K CA -0.882 55.233 56.287 -0.286 0.000 0.900 195 K CB 1.663 33.907 32.500 -0.426 0.000 1.060 195 K HN 0.236 nan 8.250 nan 0.000 0.449 196 V N 2.947 122.712 119.914 -0.248 0.000 2.444 196 V HA 0.121 4.242 4.120 0.001 0.000 0.294 196 V C -0.408 175.535 176.094 -0.252 0.000 1.022 196 V CA -0.931 61.198 62.300 -0.285 0.000 0.850 196 V CB 1.187 32.821 31.823 -0.315 0.000 0.992 196 V HN 0.831 nan 8.190 nan 0.000 0.426 197 N N 4.311 122.860 118.700 -0.251 0.000 2.716 197 N HA -0.224 4.516 4.740 0.001 0.000 0.250 197 N C 1.130 176.538 175.510 -0.170 0.000 1.033 197 N CA 1.541 54.472 53.050 -0.198 0.000 0.727 197 N CB -0.969 37.407 38.487 -0.186 0.000 0.950 197 N HN 1.504 nan 8.380 nan 0.000 0.541 198 G N -1.280 107.408 108.800 -0.186 0.000 2.213 198 G HA2 -0.315 3.646 3.960 0.001 0.000 0.236 198 G HA3 -0.315 3.646 3.960 0.001 0.000 0.236 198 G C -0.199 174.581 174.900 -0.199 0.000 0.991 198 G CA 0.557 45.552 45.100 -0.175 0.000 0.629 198 G HN 0.661 nan 8.290 nan 0.000 0.517 199 E N 0.351 120.429 120.200 -0.203 0.000 2.210 199 E HA 0.612 4.963 4.350 0.001 0.000 0.266 199 E C -0.023 176.458 176.600 -0.199 0.000 0.883 199 E CA -0.884 55.409 56.400 -0.178 0.000 0.761 199 E CB 0.491 30.123 29.700 -0.113 0.000 1.156 199 E HN 0.407 nan 8.360 nan 0.000 0.412 200 H N 3.215 122.206 119.070 -0.132 0.000 3.125 200 H HA -0.068 4.489 4.556 0.002 0.000 0.310 200 H C 0.851 176.149 175.328 -0.050 0.000 0.980 200 H CA 0.371 56.350 56.048 -0.115 0.000 1.422 200 H CB 0.484 30.164 29.762 -0.136 0.000 1.432 200 H HN 0.686 nan 8.280 nan 0.000 0.577 201 C N 1.798 121.138 119.300 0.066 0.000 2.396 201 C HA -0.228 4.232 4.460 0.001 0.000 0.277 201 C C 2.699 177.733 174.990 0.074 0.000 1.231 201 C CA 1.612 60.635 59.018 0.009 0.000 1.775 201 C CB -1.013 26.707 27.740 -0.034 0.000 2.036 201 C HN 0.954 nan 8.230 nan 0.000 0.484 202 S N 0.932 116.720 115.700 0.148 0.000 2.603 202 S HA -0.116 4.355 4.470 0.001 0.000 0.229 202 S C 1.141 175.785 174.600 0.074 0.000 0.972 202 S CA 0.944 59.208 58.200 0.106 0.000 0.935 202 S CB -0.572 62.676 63.200 0.080 0.000 0.769 202 S HN 0.932 nan 8.310 nan 0.000 0.536 203 Q N 0.276 120.127 119.800 0.086 0.000 2.088 203 Q HA 0.355 4.696 4.340 0.001 0.000 0.270 203 Q C -0.362 175.651 176.000 0.022 0.000 0.854 203 Q CA -0.319 55.509 55.803 0.042 0.000 1.104 203 Q CB 0.196 28.954 28.738 0.035 0.000 1.251 203 Q HN 0.262 nan 8.270 nan 0.000 0.436 204 S N 1.006 116.715 115.700 0.014 0.000 2.404 204 S HA 0.211 4.681 4.470 0.001 0.000 0.309 204 S C 0.761 175.350 174.600 -0.019 0.000 1.076 204 S CA -0.518 57.669 58.200 -0.021 0.000 1.095 204 S CB 1.351 64.516 63.200 -0.059 0.000 0.972 204 S HN 0.478 nan 8.310 nan 0.000 0.484 205 K N 4.535 124.922 120.400 -0.021 0.000 2.063 205 K HA -0.168 4.153 4.320 0.001 0.000 0.208 205 K C 2.029 178.610 176.600 -0.032 0.000 1.048 205 K CA 1.573 57.850 56.287 -0.018 0.000 0.928 205 K CB -0.169 32.320 32.500 -0.018 0.000 0.713 205 K HN 0.718 nan 8.250 nan 0.000 0.442 206 K N 0.720 121.088 120.400 -0.054 0.000 2.020 206 K HA -0.180 4.140 4.320 0.001 0.000 0.212 206 K C 2.130 178.674 176.600 -0.093 0.000 1.050 206 K CA 1.662 57.902 56.287 -0.079 0.000 0.929 206 K CB -0.127 32.312 32.500 -0.102 0.000 0.714 206 K HN 0.155 nan 8.250 nan 0.000 0.443 207 L N 0.682 121.852 121.223 -0.088 0.000 2.023 207 L HA -0.141 4.200 4.340 0.001 0.000 0.205 207 L C 2.414 179.336 176.870 0.087 0.000 1.073 207 L CA 0.971 55.781 54.840 -0.050 0.000 0.745 207 L CB -0.327 41.647 42.059 -0.142 0.000 0.900 207 L HN 0.217 nan 8.230 nan 0.000 0.435 208 L N -1.102 120.164 121.223 0.071 0.000 2.313 208 L HA -0.047 4.294 4.340 0.001 0.000 0.214 208 L C 1.979 178.877 176.870 0.047 0.000 1.119 208 L CA 0.962 55.852 54.840 0.083 0.000 0.809 208 L CB 0.001 42.107 42.059 0.079 0.000 0.933 208 L HN 0.295 nan 8.230 nan 0.000 0.449 209 I N -1.527 119.051 120.570 0.014 0.000 3.623 209 I HA -0.019 4.152 4.170 0.001 0.000 0.253 209 I C 1.689 177.798 176.117 -0.014 0.000 1.144 209 I CA 0.121 61.428 61.300 0.011 0.000 1.461 209 I CB 0.023 38.030 38.000 0.011 0.000 1.575 209 I HN -0.016 nan 8.210 nan 0.000 0.445 210 D N 1.794 122.174 120.400 -0.033 0.000 2.116 210 D HA -0.166 4.475 4.640 0.001 0.000 0.193 210 D C 2.090 178.334 176.300 -0.094 0.000 0.998 210 D CA 1.743 55.716 54.000 -0.046 0.000 0.836 210 D CB -0.113 40.658 40.800 -0.049 0.000 0.951 210 D HN 0.307 nan 8.370 nan 0.000 0.449 211 I N 0.050 120.511 120.570 -0.181 0.000 2.260 211 I HA -0.141 4.030 4.170 0.001 0.000 0.237 211 I C 2.502 178.326 176.117 -0.489 0.000 1.075 211 I CA 0.404 61.458 61.300 -0.411 0.000 1.376 211 I CB -0.121 37.561 38.000 -0.531 0.000 1.107 211 I HN -0.080 nan 8.210 nan 0.000 0.420 212 L N 0.249 121.265 121.223 -0.345 0.000 2.042 212 L HA -0.206 4.135 4.340 0.001 0.000 0.210 212 L C 2.766 179.720 176.870 0.139 0.000 1.076 212 L CA 1.312 56.069 54.840 -0.139 0.000 0.749 212 L CB -0.492 41.537 42.059 -0.049 0.000 0.893 212 L HN 0.279 nan 8.230 nan 0.000 0.432 213 R N -0.546 120.006 120.500 0.088 0.000 2.056 213 R HA 0.026 4.367 4.340 0.001 0.000 0.215 213 R C 1.851 178.215 176.300 0.106 0.000 1.205 213 R CA 0.832 57.005 56.100 0.122 0.000 1.020 213 R CB -0.939 29.407 30.300 0.077 0.000 0.911 213 R HN 0.236 nan 8.270 nan 0.000 0.451 214 D N 1.058 121.495 120.400 0.062 0.000 2.144 214 D HA -0.117 4.524 4.640 0.001 0.000 0.200 214 D C 1.736 178.100 176.300 0.106 0.000 0.978 214 D CA 1.040 55.081 54.000 0.069 0.000 0.833 214 D CB 0.082 40.907 40.800 0.042 0.000 0.961 214 D HN 0.350 nan 8.370 nan 0.000 0.470 215 E N -0.772 119.489 120.200 0.101 0.000 2.042 215 E HA -0.092 4.259 4.350 0.001 0.000 0.189 215 E C 1.447 178.278 176.600 0.386 0.000 0.974 215 E CA 0.541 57.060 56.400 0.199 0.000 0.806 215 E CB 0.131 29.914 29.700 0.140 0.000 0.769 215 E HN 0.207 nan 8.360 nan 0.000 0.451 216 W N 0.740 122.129 121.300 0.148 0.000 2.942 216 W HA 0.170 4.830 4.660 0.001 0.000 0.263 216 W C 0.291 176.904 176.519 0.156 0.000 1.296 216 W CA -0.016 57.421 57.345 0.154 0.000 1.504 216 W CB 0.436 29.983 29.460 0.145 0.000 1.096 216 W HN 0.008 nan 8.180 nan 0.000 0.639 217 K N -1.527 119.079 120.400 0.342 0.000 3.160 217 K HA -0.261 4.060 4.320 0.001 0.000 0.280 217 K C -0.297 176.461 176.600 0.264 0.000 1.154 217 K CA 0.965 57.391 56.287 0.232 0.000 0.822 217 K CB -2.435 30.162 32.500 0.161 0.000 1.239 217 K HN 0.344 nan 8.250 nan 0.000 0.489 218 W N 1.739 123.124 121.300 0.142 0.000 2.218 218 W HA 0.242 4.903 4.660 0.002 0.000 0.326 218 W C 0.719 177.268 176.519 0.049 0.000 1.276 218 W CA -0.025 57.379 57.345 0.098 0.000 1.210 218 W CB 0.640 30.183 29.460 0.138 0.000 1.143 218 W HN 0.087 nan 8.180 nan 0.000 0.563 219 D N 3.327 123.316 120.400 -0.686 0.000 2.571 219 D HA 0.226 4.867 4.640 0.001 0.000 0.239 219 D C 0.553 176.291 176.300 -0.936 0.000 1.267 219 D CA -0.046 53.587 54.000 -0.612 0.000 0.823 219 D CB -0.206 40.421 40.800 -0.289 0.000 1.056 219 D HN 0.395 nan 8.370 nan 0.000 0.494 225 D N 0.360 120.778 120.400 0.030 0.000 2.362 225 D HA 0.099 4.740 4.640 0.001 0.000 0.238 225 D C -0.374 176.093 176.300 0.277 0.000 1.212 225 D CA -0.092 53.934 54.000 0.043 0.000 0.902 225 D CB 0.439 40.807 40.800 -0.720 0.000 1.180 225 D HN 0.572 nan 8.370 nan 0.000 0.445 226 W N 3.008 124.328 121.300 0.034 0.000 2.529 226 W HA 0.074 4.734 4.660 -0.000 0.000 0.319 226 W C 0.388 177.115 176.519 0.346 0.000 1.362 226 W CA -0.517 56.901 57.345 0.121 0.000 1.348 226 W CB -0.215 29.403 29.460 0.265 0.000 1.403 226 W HN 0.500 nan 8.180 nan 0.000 0.519 227 F N 0.556 120.726 119.950 0.368 0.000 2.656 227 F HA -0.241 4.288 4.527 0.002 0.000 0.381 227 F C 1.646 177.624 175.800 0.296 0.000 0.603 227 F CA 0.682 58.898 58.000 0.360 0.000 1.335 227 F CB -1.776 37.515 39.000 0.485 0.000 1.836 227 F HN 0.499 nan 8.300 nan 0.000 0.290 228 G N 1.008 110.000 108.800 0.319 0.000 3.397 228 G HA2 0.374 4.334 3.960 0.001 0.000 0.248 228 G HA3 0.374 4.334 3.960 0.001 0.000 0.248 228 G C 0.049 174.596 174.900 -0.587 0.000 1.284 228 G CA 0.850 45.941 45.100 -0.015 0.000 1.570 228 G HN 0.250 nan 8.290 nan 0.000 0.587 229 T N -0.535 113.527 114.554 -0.819 0.000 2.861 229 T HA 0.432 4.783 4.350 0.001 0.000 0.287 229 T C -0.447 173.406 174.700 -1.413 0.000 1.003 229 T CA -0.364 61.223 62.100 -0.855 0.000 0.977 229 T CB 1.657 70.282 68.868 -0.406 0.000 0.996 229 T HN 0.209 nan 8.240 nan 0.000 0.448 230 Y N 0.600 120.342 120.300 -0.930 0.000 2.499 230 Y HA 0.300 4.852 4.550 0.002 0.000 0.253 230 Y C 1.365 176.419 175.900 -1.410 0.000 1.105 230 Y CA -0.578 56.869 58.100 -1.089 0.000 1.240 230 Y CB 0.770 38.859 38.460 -0.620 0.000 1.289 230 Y HN 0.736 nan 8.280 nan 0.000 0.534 231 T N -4.939 108.961 114.554 -1.089 0.000 2.841 231 T HA 0.364 4.715 4.350 0.001 0.000 0.296 231 T C 0.518 175.115 174.700 -0.173 0.000 1.166 231 T CA -0.349 61.425 62.100 -0.544 0.000 1.007 231 T CB 2.023 70.791 68.868 -0.166 0.000 1.253 231 T HN -0.190 nan 8.240 nan 0.000 0.511 232 T N 0.457 115.130 114.554 0.197 0.000 2.837 232 T HA 0.258 4.608 4.350 0.001 0.000 0.248 232 T C 2.206 176.963 174.700 0.094 0.000 1.033 232 T CA 1.056 63.291 62.100 0.225 0.000 1.150 232 T CB -0.612 68.413 68.868 0.262 0.000 0.865 232 T HN 0.791 nan 8.240 nan 0.000 0.425 233 A N 0.938 123.800 122.820 0.071 0.000 1.956 233 A HA 0.574 4.895 4.320 0.001 0.000 0.212 233 A C 2.497 180.092 177.584 0.019 0.000 1.188 233 A CA 1.165 53.227 52.037 0.042 0.000 0.675 233 A CB -0.891 18.133 19.000 0.040 0.000 0.845 233 A HN 0.433 nan 8.150 nan 0.000 0.455 234 A N 0.304 123.129 122.820 0.009 0.000 1.902 234 A HA 0.155 4.476 4.320 0.001 0.000 0.217 234 A C 2.459 180.039 177.584 -0.006 0.000 1.181 234 A CA 2.041 54.078 52.037 -0.000 0.000 0.623 234 A CB -0.981 18.017 19.000 -0.004 0.000 0.818 234 A HN 1.013 nan 8.150 nan 0.000 0.443 235 A N -0.165 122.641 122.820 -0.023 0.000 1.933 235 A HA -0.089 4.232 4.320 0.001 0.000 0.218 235 A C 2.123 179.704 177.584 -0.004 0.000 1.175 235 A CA 1.567 53.589 52.037 -0.025 0.000 0.628 235 A CB -0.563 18.392 19.000 -0.074 0.000 0.814 235 A HN 0.511 nan 8.150 nan 0.000 0.444 236 I N -0.893 119.679 120.570 0.003 0.000 2.286 236 I HA -0.212 3.959 4.170 0.001 0.000 0.245 236 I C 2.539 178.663 176.117 0.010 0.000 1.104 236 I CA 1.659 62.966 61.300 0.011 0.000 1.397 236 I CB -0.222 37.788 38.000 0.017 0.000 1.072 236 I HN 0.362 nan 8.210 nan 0.000 0.417 237 K N 0.964 121.369 120.400 0.009 0.000 2.057 237 K HA -0.156 4.165 4.320 0.001 0.000 0.207 237 K C 1.320 177.925 176.600 0.007 0.000 1.049 237 K CA 1.481 57.772 56.287 0.007 0.000 0.931 237 K CB 0.072 32.575 32.500 0.005 0.000 0.714 237 K HN 0.233 nan 8.250 nan 0.000 0.440 238 N N -0.761 117.944 118.700 0.008 0.000 2.322 238 N HA 0.079 4.820 4.740 0.001 0.000 0.194 238 N C 0.329 175.850 175.510 0.019 0.000 1.126 238 N CA 0.907 53.962 53.050 0.009 0.000 0.845 238 N CB 1.352 39.842 38.487 0.005 0.000 0.976 238 N HN 0.455 nan 8.380 nan 0.000 0.475 239 G N 0.141 108.955 108.800 0.023 0.000 2.175 239 G HA2 -0.203 3.758 3.960 0.001 0.000 0.182 239 G HA3 -0.203 3.758 3.960 0.001 0.000 0.182 239 G C -0.395 174.533 174.900 0.047 0.000 1.003 239 G CA -0.485 44.636 45.100 0.035 0.000 0.666 239 G HN 0.253 nan 8.290 nan 0.000 0.506 240 L N 1.954 123.199 121.223 0.037 0.000 2.342 240 L HA 0.517 4.858 4.340 0.001 0.000 0.285 240 L C 1.077 177.970 176.870 0.038 0.000 1.095 240 L CA -0.037 54.828 54.840 0.042 0.000 0.843 240 L CB 0.424 42.496 42.059 0.021 0.000 1.201 240 L HN 0.143 nan 8.230 nan 0.000 0.445 241 D N 4.534 124.967 120.400 0.055 0.000 2.123 241 D HA 0.010 4.651 4.640 0.001 0.000 0.200 241 D C 0.458 176.782 176.300 0.040 0.000 0.976 241 D CA 1.409 55.436 54.000 0.045 0.000 0.831 241 D CB 0.608 41.437 40.800 0.049 0.000 0.974 241 D HN 0.455 nan 8.370 nan 0.000 0.469 242 I N 0.339 120.946 120.570 0.062 0.000 2.656 242 I HA 0.105 4.276 4.170 0.001 0.000 0.292 242 I C -1.153 174.986 176.117 0.036 0.000 1.144 242 I CA -0.758 60.566 61.300 0.041 0.000 1.038 242 I CB 2.873 40.929 38.000 0.093 0.000 1.244 242 I HN -0.282 nan 8.210 nan 0.000 0.420 243 E N 6.757 126.912 120.200 -0.075 0.000 2.200 243 E HA 0.355 4.705 4.350 0.001 0.000 0.283 243 E C -1.910 174.482 176.600 -0.347 0.000 1.015 243 E CA -0.354 55.970 56.400 -0.127 0.000 0.819 243 E CB 1.013 30.655 29.700 -0.097 0.000 1.081 243 E HN 0.444 nan 8.360 nan 0.000 0.397 244 F N 5.158 124.775 119.950 -0.555 0.000 2.546 244 F HA 0.472 4.999 4.527 0.000 0.000 0.320 244 F C -1.956 173.158 175.800 -1.143 0.000 1.076 244 F CA -1.863 55.523 58.000 -1.023 0.000 0.928 244 F CB 2.183 40.076 39.000 -1.845 0.000 1.189 244 F HN 0.417 nan 8.300 nan 0.000 0.465 245 P HA 0.312 nan 4.420 nan 0.000 0.281 245 P C -0.634 176.173 177.300 -0.823 0.000 1.281 245 P CA -0.355 62.078 63.100 -1.112 0.000 0.811 245 P CB 1.125 32.022 31.700 -1.339 0.000 1.154 246 G N 0.098 108.476 108.800 -0.703 0.000 2.504 246 G HA2 0.489 4.450 3.960 0.001 0.000 0.288 246 G HA3 0.489 4.450 3.960 0.001 0.000 0.288 246 G C -2.446 172.180 174.900 -0.457 0.000 1.182 246 G CA -1.501 43.308 45.100 -0.485 0.000 0.894 246 G HN 0.379 nan 8.290 nan 0.000 0.521 247 P HA 0.140 nan 4.420 nan 0.000 0.275 247 P C 0.380 177.554 177.300 -0.210 0.000 1.227 247 P CA -0.084 62.886 63.100 -0.217 0.000 0.781 247 P CB 0.883 32.496 31.700 -0.145 0.000 0.906 248 T N 2.268 116.703 114.554 -0.198 0.000 2.933 248 T HA -0.024 4.327 4.350 0.001 0.000 0.306 248 T C 1.444 176.054 174.700 -0.151 0.000 1.045 248 T CA 0.404 62.406 62.100 -0.164 0.000 1.143 248 T CB 0.013 68.802 68.868 -0.132 0.000 1.003 248 T HN 0.354 nan 8.240 nan 0.000 0.540 249 R N 2.487 122.891 120.500 -0.159 0.000 2.103 249 R HA 0.147 4.488 4.340 0.001 0.000 0.212 249 R C 1.711 177.753 176.300 -0.430 0.000 1.107 249 R CA 0.928 56.818 56.100 -0.350 0.000 1.025 249 R CB 0.075 30.052 30.300 -0.539 0.000 0.929 249 R HN 0.707 nan 8.270 nan 0.000 0.456 250 W N 0.284 121.553 121.300 -0.051 0.000 3.077 250 W HA 0.187 4.848 4.660 0.001 0.000 0.266 250 W C 0.656 177.152 176.519 -0.039 0.000 1.300 250 W CA -0.094 57.229 57.345 -0.037 0.000 1.586 250 W CB 0.555 29.992 29.460 -0.039 0.000 1.103 250 W HN -0.190 nan 8.180 nan 0.000 0.652 251 R N 0.207 120.763 120.500 0.092 0.000 2.698 251 R HA 0.115 4.456 4.340 0.001 0.000 0.422 251 R C 0.441 176.734 176.300 -0.011 0.000 1.073 251 R CA -0.051 56.078 56.100 0.048 0.000 1.054 251 R CB 0.007 30.327 30.300 0.033 0.000 1.373 251 R HN -0.123 nan 8.270 nan 0.000 0.593 252 T N -2.234 112.302 114.554 -0.031 0.000 2.855 252 T HA -0.001 4.350 4.350 0.001 0.000 0.314 252 T C 1.331 176.017 174.700 -0.023 0.000 1.077 252 T CA -0.403 61.670 62.100 -0.046 0.000 1.095 252 T CB 1.732 70.561 68.868 -0.064 0.000 0.987 252 T HN 0.294 nan 8.240 nan 0.000 0.546 253 R N 1.162 121.645 120.500 -0.028 0.000 2.096 253 R HA -0.151 4.190 4.340 0.001 0.000 0.240 253 R C 2.617 178.915 176.300 -0.002 0.000 1.139 253 R CA 1.741 57.831 56.100 -0.015 0.000 0.952 253 R CB -1.096 29.191 30.300 -0.022 0.000 0.854 253 R HN 0.866 nan 8.270 nan 0.000 0.436 254 A N 0.948 123.760 122.820 -0.014 0.000 1.883 254 A HA -0.161 4.160 4.320 0.001 0.000 0.217 254 A C 2.231 179.831 177.584 0.027 0.000 1.186 254 A CA 1.482 53.514 52.037 -0.009 0.000 0.624 254 A CB -0.603 18.368 19.000 -0.048 0.000 0.822 254 A HN 0.369 nan 8.150 nan 0.000 0.444 255 L N -0.716 120.519 121.223 0.019 0.000 2.056 255 L HA -0.150 4.191 4.340 0.001 0.000 0.207 255 L C 2.515 179.440 176.870 0.090 0.000 1.078 255 L CA 1.176 56.052 54.840 0.060 0.000 0.749 255 L CB -0.511 41.576 42.059 0.047 0.000 0.901 255 L HN 0.267 nan 8.230 nan 0.000 0.433 256 V N -0.607 119.344 119.914 0.061 0.000 2.346 256 V HA -0.192 3.929 4.120 0.001 0.000 0.244 256 V C 2.656 178.782 176.094 0.052 0.000 1.037 256 V CA 1.727 64.060 62.300 0.055 0.000 1.029 256 V CB -0.358 31.485 31.823 0.034 0.000 0.663 256 V HN 0.592 nan 8.190 nan 0.000 0.454 257 S N -0.119 115.612 115.700 0.051 0.000 2.402 257 S HA -0.294 4.177 4.470 0.001 0.000 0.229 257 S C 1.970 176.616 174.600 0.076 0.000 1.021 257 S CA 1.808 60.037 58.200 0.048 0.000 0.974 257 S CB -0.685 62.537 63.200 0.036 0.000 0.800 257 S HN 0.727 nan 8.310 nan 0.000 0.484 258 H N 1.645 120.716 119.070 0.002 0.000 2.353 258 H HA 0.098 4.655 4.556 0.001 0.000 0.300 258 H C 2.206 177.539 175.328 0.009 0.000 1.090 258 H CA 1.843 57.893 56.048 0.003 0.000 1.327 258 H CB -0.614 29.149 29.762 0.002 0.000 1.383 258 H HN 0.416 nan 8.280 nan 0.000 0.508 259 S N -0.237 115.480 115.700 0.027 0.000 2.368 259 S HA -0.113 4.358 4.470 0.001 0.000 0.225 259 S C 2.294 176.864 174.600 -0.050 0.000 1.030 259 S CA 1.268 59.453 58.200 -0.025 0.000 0.999 259 S CB -0.262 62.958 63.200 0.034 0.000 0.844 259 S HN 0.343 nan 8.310 nan 0.000 0.459 260 L N 1.562 122.772 121.223 -0.021 0.000 2.027 260 L HA -0.110 4.231 4.340 0.001 0.000 0.206 260 L C 2.092 178.936 176.870 -0.043 0.000 1.074 260 L CA 0.967 55.794 54.840 -0.022 0.000 0.745 260 L CB -0.610 41.446 42.059 -0.005 0.000 0.898 260 L HN 0.255 nan 8.230 nan 0.000 0.433 261 N N -0.533 118.136 118.700 -0.053 0.000 2.309 261 N HA -0.097 4.644 4.740 0.001 0.000 0.182 261 N C 1.614 177.063 175.510 -0.102 0.000 1.018 261 N CA 1.057 54.072 53.050 -0.059 0.000 0.876 261 N CB -0.053 38.418 38.487 -0.028 0.000 0.972 261 N HN 0.183 nan 8.380 nan 0.000 0.434 262 S N 0.237 115.830 115.700 -0.177 0.000 2.577 262 S HA 0.188 4.659 4.470 0.001 0.000 0.219 262 S C 0.202 174.736 174.600 -0.110 0.000 0.962 262 S CA -0.383 57.703 58.200 -0.191 0.000 0.921 262 S CB 0.376 63.361 63.200 -0.358 0.000 0.789 262 S HN 0.252 nan 8.310 nan 0.000 0.497 263 R N 1.325 121.779 120.500 -0.077 0.000 3.322 263 R HA -0.185 4.156 4.340 0.001 0.000 0.253 263 R C -0.535 175.739 176.300 -0.044 0.000 0.987 263 R CA 0.467 56.538 56.100 -0.048 0.000 0.666 263 R CB -1.643 28.636 30.300 -0.036 0.000 1.072 263 R HN 0.334 nan 8.270 nan 0.000 0.447 264 E N 1.244 121.413 120.200 -0.051 0.000 1.993 264 E HA 0.101 4.452 4.350 0.001 0.000 0.271 264 E C 0.446 177.040 176.600 -0.010 0.000 1.008 264 E CA -0.005 56.377 56.400 -0.030 0.000 0.814 264 E CB 0.377 30.058 29.700 -0.032 0.000 1.098 264 E HN 0.274 nan 8.360 nan 0.000 0.407 265 Q N 1.426 121.222 119.800 -0.006 0.000 2.755 265 Q HA -0.297 4.044 4.340 0.001 0.000 0.190 265 Q C 0.496 176.496 176.000 -0.000 0.000 2.840 265 Q CA 2.021 57.825 55.803 0.000 0.000 0.265 265 Q CB -1.966 26.777 28.738 0.009 0.000 0.240 265 Q HN 0.726 nan 8.270 nan 0.000 0.447 266 I N 0.025 120.595 120.570 0.001 0.000 2.676 266 I HA 0.700 4.871 4.170 0.001 0.000 0.309 266 I C 0.397 176.512 176.117 -0.003 0.000 0.990 266 I CA -0.262 61.039 61.300 0.002 0.000 1.168 266 I CB 1.766 39.771 38.000 0.008 0.000 1.343 266 I HN 0.187 nan 8.210 nan 0.000 0.482 267 T N -0.972 113.580 114.554 -0.002 0.000 2.940 267 T HA 0.333 4.684 4.350 0.001 0.000 0.288 267 T C 1.087 175.785 174.700 -0.003 0.000 1.045 267 T CA 0.011 62.108 62.100 -0.005 0.000 1.018 267 T CB 1.418 70.283 68.868 -0.005 0.000 1.151 267 T HN 0.818 nan 8.240 nan 0.000 0.529 268 T N -1.870 112.682 114.554 -0.004 0.000 2.881 268 T HA -0.123 4.228 4.350 0.001 0.000 0.270 268 T C 1.558 176.256 174.700 -0.002 0.000 1.068 268 T CA 1.483 63.581 62.100 -0.003 0.000 1.131 268 T CB -0.602 68.263 68.868 -0.005 0.000 0.871 268 T HN 0.798 nan 8.240 nan 0.000 0.479 269 E N 1.318 121.517 120.200 -0.003 0.000 2.077 269 E HA -0.209 4.142 4.350 0.001 0.000 0.193 269 E C 1.729 178.329 176.600 -0.000 0.000 0.989 269 E CA 1.508 57.907 56.400 -0.002 0.000 0.800 269 E CB -0.162 29.536 29.700 -0.002 0.000 0.746 269 E HN 0.489 nan 8.360 nan 0.000 0.452 270 D N 0.105 120.505 120.400 0.001 0.000 2.104 270 D HA -0.161 4.480 4.640 0.001 0.000 0.194 270 D C 2.127 178.429 176.300 0.004 0.000 0.994 270 D CA 1.258 55.260 54.000 0.003 0.000 0.830 270 D CB -0.329 40.474 40.800 0.004 0.000 0.959 270 D HN 0.136 nan 8.370 nan 0.000 0.452 271 V N 1.871 121.787 119.914 0.004 0.000 2.287 271 V HA -0.250 3.871 4.120 0.001 0.000 0.248 271 V C 2.004 178.100 176.094 0.002 0.000 1.053 271 V CA 1.924 64.226 62.300 0.004 0.000 1.027 271 V CB -0.486 31.339 31.823 0.003 0.000 0.646 271 V HN 0.052 nan 8.190 nan 0.000 0.447 272 D N -0.068 120.332 120.400 0.000 0.000 2.123 272 D HA -0.164 4.477 4.640 0.001 0.000 0.196 272 D C 1.930 178.230 176.300 0.000 0.000 0.992 272 D CA 1.447 55.446 54.000 -0.001 0.000 0.833 272 D CB -0.408 40.390 40.800 -0.003 0.000 0.954 272 D HN 0.437 nan 8.370 nan 0.000 0.455 273 D N 0.052 120.452 120.400 0.000 0.000 2.144 273 D HA -0.096 4.545 4.640 0.001 0.000 0.199 273 D C 2.179 178.479 176.300 0.001 0.000 0.984 273 D CA 0.657 54.657 54.000 -0.000 0.000 0.834 273 D CB 0.039 40.840 40.800 0.002 0.000 0.955 273 D HN 0.112 nan 8.370 nan 0.000 0.465 274 R N 0.468 120.971 120.500 0.005 0.000 2.066 274 R HA -0.008 4.333 4.340 0.001 0.000 0.232 274 R C 2.464 178.770 176.300 0.010 0.000 1.131 274 R CA 0.360 56.465 56.100 0.009 0.000 0.955 274 R CB -1.117 29.190 30.300 0.011 0.000 0.851 274 R HN 0.173 nan 8.270 nan 0.000 0.432 275 V N 1.661 121.581 119.914 0.009 0.000 2.287 275 V HA -0.238 3.882 4.120 0.001 0.000 0.248 275 V C 2.710 178.817 176.094 0.021 0.000 1.053 275 V CA 1.909 64.217 62.300 0.014 0.000 1.027 275 V CB -0.596 31.232 31.823 0.009 0.000 0.646 275 V HN 0.316 nan 8.190 nan 0.000 0.447 276 R N -0.339 120.168 120.500 0.012 0.000 2.117 276 R HA -0.217 4.124 4.340 0.001 0.000 0.243 276 R C 2.356 178.661 176.300 0.009 0.000 1.143 276 R CA 1.662 57.770 56.100 0.012 0.000 0.968 276 R CB -0.125 30.175 30.300 0.000 0.000 0.863 276 R HN 0.489 nan 8.270 nan 0.000 0.444 277 Q N -0.141 119.653 119.800 -0.009 0.000 2.123 277 Q HA -0.068 4.273 4.340 0.001 0.000 0.199 277 Q C 2.238 178.232 176.000 -0.009 0.000 0.966 277 Q CA 1.084 56.866 55.803 -0.036 0.000 0.845 277 Q CB -0.209 28.494 28.738 -0.059 0.000 0.907 277 Q HN 0.243 nan 8.270 nan 0.000 0.439 278 V N 1.423 121.351 119.914 0.024 0.000 2.295 278 V HA -0.252 3.869 4.120 0.001 0.000 0.246 278 V C 2.451 178.592 176.094 0.078 0.000 1.049 278 V CA 1.446 63.777 62.300 0.052 0.000 1.024 278 V CB -0.742 31.114 31.823 0.054 0.000 0.648 278 V HN 0.261 nan 8.190 nan 0.000 0.447 279 L N -0.762 120.524 121.223 0.105 0.000 2.081 279 L HA -0.182 4.159 4.340 0.001 0.000 0.212 279 L C 1.611 178.603 176.870 0.204 0.000 1.080 279 L CA 1.356 56.321 54.840 0.209 0.000 0.754 279 L CB -0.564 41.606 42.059 0.185 0.000 0.893 279 L HN 0.295 nan 8.230 nan 0.000 0.433 283 K N 1.684 121.776 120.400 -0.513 0.000 2.097 283 K HA -0.165 4.156 4.320 0.001 0.000 0.206 283 K C 2.073 178.558 176.600 -0.192 0.000 1.049 283 K CA 1.962 57.957 56.287 -0.486 0.000 0.933 283 K CB -0.050 32.489 32.500 0.064 0.000 0.717 283 K HN 0.258 nan 8.250 nan 0.000 0.442 284 F N 0.968 120.817 119.950 -0.170 0.000 2.102 284 F HA -0.212 4.316 4.527 0.002 0.000 0.298 284 F C 1.780 177.511 175.800 -0.115 0.000 1.105 284 F CA 1.323 59.260 58.000 -0.105 0.000 1.239 284 F CB -0.255 38.705 39.000 -0.067 0.000 0.991 284 F HN -0.198 nan 8.300 nan 0.000 0.474 285 V N -0.357 119.568 119.914 0.019 0.000 2.295 285 V HA -0.305 3.815 4.120 0.001 0.000 0.246 285 V C 2.342 178.327 176.094 -0.181 0.000 1.049 285 V CA 1.810 64.081 62.300 -0.049 0.000 1.024 285 V CB -0.761 31.068 31.823 0.010 0.000 0.648 285 V HN 0.282 nan 8.190 nan 0.000 0.447 286 V N -0.046 119.712 119.914 -0.260 0.000 2.379 286 V HA -0.209 3.912 4.120 0.001 0.000 0.245 286 V C 2.236 178.225 176.094 -0.174 0.000 1.044 286 V CA 1.956 64.119 62.300 -0.228 0.000 1.036 286 V CB -0.723 30.879 31.823 -0.367 0.000 0.664 286 V HN 0.525 nan 8.190 nan 0.000 0.453 287 D N 0.389 120.663 120.400 -0.210 0.000 2.228 287 D HA -0.140 4.501 4.640 0.001 0.000 0.203 287 D C 1.789 177.955 176.300 -0.224 0.000 0.988 287 D CA 1.143 55.034 54.000 -0.182 0.000 0.864 287 D CB -0.250 40.429 40.800 -0.201 0.000 0.928 287 D HN 0.423 nan 8.370 nan 0.000 0.469 288 N N -0.256 118.264 118.700 -0.300 0.000 2.236 288 N HA 0.103 4.844 4.740 0.001 0.000 0.196 288 N C 1.708 177.122 175.510 -0.159 0.000 1.114 288 N CA -0.125 52.755 53.050 -0.284 0.000 0.859 288 N CB 0.779 38.987 38.487 -0.465 0.000 0.982 288 N HN 0.211 nan 8.380 nan 0.000 0.493 289 L N 1.288 122.438 121.223 -0.122 0.000 2.079 289 L HA -0.217 4.124 4.340 0.001 0.000 0.210 289 L C 2.545 179.385 176.870 -0.049 0.000 1.081 289 L CA 1.549 56.348 54.840 -0.069 0.000 0.752 289 L CB -0.278 41.752 42.059 -0.049 0.000 0.896 289 L HN 0.288 nan 8.230 nan 0.000 0.433 290 E N 0.689 120.858 120.200 -0.052 0.000 2.107 290 E HA -0.263 4.088 4.350 0.001 0.000 0.191 290 E C 2.175 178.755 176.600 -0.035 0.000 0.982 290 E CA 1.070 57.449 56.400 -0.035 0.000 0.809 290 E CB -0.135 29.547 29.700 -0.031 0.000 0.756 290 E HN 0.333 nan 8.360 nan 0.000 0.459 291 K N 0.538 120.909 120.400 -0.049 0.000 2.026 291 K HA -0.156 4.165 4.320 0.001 0.000 0.208 291 K C 2.264 178.845 176.600 -0.032 0.000 1.048 291 K CA 2.211 58.472 56.287 -0.044 0.000 0.929 291 K CB -0.308 32.154 32.500 -0.064 0.000 0.713 291 K HN 0.356 nan 8.250 nan 0.000 0.439 292 T N -3.487 111.045 114.554 -0.036 0.000 3.014 292 T HA 0.128 4.478 4.350 0.001 0.000 0.263 292 T C 1.534 176.230 174.700 -0.007 0.000 1.078 292 T CA 0.734 62.824 62.100 -0.016 0.000 1.135 292 T CB -0.227 68.633 68.868 -0.014 0.000 0.895 292 T HN 0.443 nan 8.240 nan 0.000 0.480 293 G N 1.724 110.517 108.800 -0.011 0.000 2.166 293 G HA2 -0.244 3.717 3.960 0.001 0.000 0.260 293 G HA3 -0.244 3.717 3.960 0.001 0.000 0.260 293 G C 0.176 175.079 174.900 0.005 0.000 0.986 293 G CA 0.194 45.293 45.100 -0.003 0.000 0.683 293 G HN 0.703 nan 8.290 nan 0.000 0.527 294 I N 0.498 121.071 120.570 0.005 0.000 2.826 294 I HA 0.087 4.258 4.170 0.001 0.000 0.295 294 I C 0.861 176.990 176.117 0.021 0.000 1.213 294 I CA 0.364 61.674 61.300 0.017 0.000 1.436 294 I CB 0.718 38.731 38.000 0.022 0.000 1.348 294 I HN -0.099 nan 8.210 nan 0.000 0.570 295 V N 6.867 126.799 119.914 0.030 0.000 2.370 295 V HA 0.128 4.249 4.120 0.001 0.000 0.283 295 V C 0.435 176.557 176.094 0.047 0.000 1.023 295 V CA -0.730 61.589 62.300 0.032 0.000 0.857 295 V CB 1.375 33.215 31.823 0.028 0.000 0.985 295 V HN 0.725 nan 8.190 nan 0.000 0.443 296 E N 4.692 124.920 120.200 0.046 0.000 2.529 296 E HA -0.111 4.240 4.350 0.001 0.000 0.259 296 E C 0.813 177.448 176.600 0.059 0.000 0.966 296 E CA 0.232 56.669 56.400 0.061 0.000 0.937 296 E CB 0.077 29.806 29.700 0.049 0.000 0.923 296 E HN 0.734 nan 8.360 nan 0.000 0.468 297 N N 2.196 120.949 118.700 0.088 0.000 2.701 297 N HA -0.177 4.564 4.740 0.001 0.000 0.250 297 N C -0.404 175.140 175.510 0.057 0.000 1.046 297 N CA 0.966 54.050 53.050 0.056 0.000 0.733 297 N CB -0.941 37.529 38.487 -0.029 0.000 0.973 297 N HN 0.587 nan 8.380 nan 0.000 0.541 298 G N -0.246 108.599 108.800 0.074 0.000 2.651 298 G HA2 0.416 4.377 3.960 0.001 0.000 0.260 298 G HA3 0.416 4.377 3.960 0.001 0.000 0.260 298 G C -2.083 172.849 174.900 0.053 0.000 1.216 298 G CA -0.675 44.456 45.100 0.053 0.000 0.913 298 G HN 0.305 nan 8.290 nan 0.000 0.535 299 P HA 0.217 nan 4.420 nan 0.000 0.274 299 P C -0.705 176.618 177.300 0.037 0.000 1.256 299 P CA -0.177 62.945 63.100 0.036 0.000 0.795 299 P CB 1.132 32.848 31.700 0.028 0.000 1.038 300 E N -0.093 120.127 120.200 0.034 0.000 2.171 300 E HA 0.437 4.788 4.350 0.001 0.000 0.271 300 E C -0.200 176.418 176.600 0.030 0.000 0.916 300 E CA -0.601 55.815 56.400 0.027 0.000 0.774 300 E CB 1.445 31.155 29.700 0.017 0.000 1.128 300 E HN 0.466 nan 8.360 nan 0.000 0.403 301 S N 0.334 116.056 115.700 0.035 0.000 2.745 301 S HA 0.417 4.887 4.470 0.001 0.000 0.306 301 S C 0.389 175.029 174.600 0.066 0.000 1.137 301 S CA -0.666 57.558 58.200 0.040 0.000 0.900 301 S CB 1.497 64.714 63.200 0.028 0.000 1.176 301 S HN 0.457 nan 8.310 nan 0.000 0.520 302 T N -1.516 113.074 114.554 0.060 0.000 3.243 302 T HA 0.224 4.575 4.350 0.001 0.000 0.264 302 T C 1.420 176.104 174.700 -0.027 0.000 1.000 302 T CA 0.212 62.359 62.100 0.078 0.000 0.901 302 T CB -0.652 68.241 68.868 0.042 0.000 1.083 302 T HN 0.782 nan 8.240 nan 0.000 0.559 303 S N 1.407 117.109 115.700 0.002 0.000 2.469 303 S HA -0.124 4.347 4.470 0.001 0.000 0.238 303 S C 1.667 176.246 174.600 -0.035 0.000 0.998 303 S CA 0.967 59.155 58.200 -0.020 0.000 0.957 303 S CB -0.652 62.549 63.200 0.001 0.000 0.764 303 S HN 0.497 nan 8.310 nan 0.000 0.514 304 N N 2.012 120.709 118.700 -0.005 0.000 2.398 304 N HA 0.098 4.839 4.740 0.001 0.000 0.188 304 N C 0.017 175.474 175.510 -0.090 0.000 1.122 304 N CA -0.052 53.006 53.050 0.013 0.000 0.866 304 N CB -0.429 38.123 38.487 0.109 0.000 0.970 304 N HN 0.383 nan 8.380 nan 0.000 0.462 305 N N 0.788 119.263 118.700 -0.375 0.000 2.671 305 N HA -0.003 4.738 4.740 0.001 0.000 0.274 305 N C -0.986 174.350 175.510 -0.290 0.000 1.188 305 N CA 0.110 52.723 53.050 -0.729 0.000 1.065 305 N CB -0.375 37.350 38.487 -1.270 0.000 1.415 305 N HN 0.210 nan 8.380 nan 0.000 0.511 306 T N -1.225 113.252 114.554 -0.128 0.000 2.864 306 T HA 0.319 4.670 4.350 0.001 0.000 0.289 306 T C 1.010 175.698 174.700 -0.020 0.000 1.082 306 T CA -0.887 61.175 62.100 -0.064 0.000 1.009 306 T CB 1.689 70.534 68.868 -0.039 0.000 1.234 306 T HN 0.209 nan 8.240 nan 0.000 0.526 307 K N 0.108 120.498 120.400 -0.018 0.000 2.097 307 K HA -0.123 4.198 4.320 0.001 0.000 0.206 307 K C 2.013 178.616 176.600 0.006 0.000 1.049 307 K CA 1.452 57.736 56.287 -0.005 0.000 0.933 307 K CB -0.148 32.343 32.500 -0.015 0.000 0.717 307 K HN 0.750 nan 8.250 nan 0.000 0.442 308 E N -0.377 119.824 120.200 0.002 0.000 2.085 308 E HA -0.166 4.185 4.350 0.001 0.000 0.194 308 E C 1.600 178.208 176.600 0.012 0.000 0.994 308 E CA 1.686 58.090 56.400 0.007 0.000 0.801 308 E CB 0.108 29.811 29.700 0.006 0.000 0.743 308 E HN 0.359 nan 8.360 nan 0.000 0.453 309 T N -0.172 114.393 114.554 0.018 0.000 2.812 309 T HA -0.064 4.287 4.350 0.001 0.000 0.264 309 T C 2.062 176.770 174.700 0.015 0.000 1.042 309 T CA 1.048 63.160 62.100 0.020 0.000 1.140 309 T CB -0.118 68.783 68.868 0.055 0.000 0.870 309 T HN 0.047 nan 8.240 nan 0.000 0.445 310 S N 1.561 117.299 115.700 0.063 0.000 2.359 310 S HA -0.159 4.312 4.470 0.001 0.000 0.224 310 S C 1.855 176.485 174.600 0.051 0.000 1.035 310 S CA 1.282 59.544 58.200 0.104 0.000 1.018 310 S CB -0.492 62.795 63.200 0.146 0.000 0.876 310 S HN 0.456 nan 8.310 nan 0.000 0.448 311 D N 0.969 121.387 120.400 0.029 0.000 2.097 311 D HA -0.060 4.581 4.640 0.001 0.000 0.195 311 D C 1.872 178.176 176.300 0.007 0.000 0.989 311 D CA 0.623 54.634 54.000 0.017 0.000 0.827 311 D CB -0.440 40.367 40.800 0.011 0.000 0.966 311 D HN 0.191 nan 8.370 nan 0.000 0.456 312 L N 0.505 121.725 121.223 -0.005 0.000 2.056 312 L HA -0.030 4.311 4.340 0.001 0.000 0.207 312 L C 2.139 178.979 176.870 -0.050 0.000 1.078 312 L CA 1.249 56.081 54.840 -0.014 0.000 0.749 312 L CB -0.553 41.502 42.059 -0.006 0.000 0.901 312 L HN 0.027 nan 8.230 nan 0.000 0.433 313 L N -0.805 120.352 121.223 -0.110 0.000 2.083 313 L HA -0.199 4.142 4.340 0.001 0.000 0.209 313 L C 2.760 179.596 176.870 -0.056 0.000 1.083 313 L CA 1.424 56.158 54.840 -0.178 0.000 0.752 313 L CB -0.526 41.378 42.059 -0.258 0.000 0.899 313 L HN 0.319 nan 8.230 nan 0.000 0.433 314 R N 0.840 121.336 120.500 -0.006 0.000 2.075 314 R HA -0.210 4.131 4.340 0.001 0.000 0.232 314 R C 2.378 178.698 176.300 0.033 0.000 1.126 314 R CA 1.665 57.783 56.100 0.030 0.000 0.963 314 R CB -0.094 30.233 30.300 0.044 0.000 0.858 314 R HN 0.207 nan 8.270 nan 0.000 0.435 315 K N 0.586 121.001 120.400 0.024 0.000 2.026 315 K HA -0.151 4.170 4.320 0.001 0.000 0.208 315 K C 2.065 178.690 176.600 0.042 0.000 1.048 315 K CA 1.852 58.158 56.287 0.031 0.000 0.929 315 K CB -0.186 32.327 32.500 0.022 0.000 0.713 315 K HN 0.214 nan 8.250 nan 0.000 0.439 316 I N 1.273 121.867 120.570 0.040 0.000 2.208 316 I HA -0.277 3.894 4.170 0.001 0.000 0.245 316 I C 2.544 178.709 176.117 0.080 0.000 1.097 316 I CA 1.358 62.697 61.300 0.066 0.000 1.363 316 I CB -0.364 37.689 38.000 0.089 0.000 1.051 316 I HN 0.293 nan 8.210 nan 0.000 0.413 317 A N 0.547 123.411 122.820 0.074 0.000 1.933 317 A HA -0.136 4.185 4.320 0.001 0.000 0.218 317 A C 2.514 180.163 177.584 0.109 0.000 1.175 317 A CA 1.824 53.924 52.037 0.104 0.000 0.628 317 A CB -0.784 18.273 19.000 0.096 0.000 0.814 317 A HN 0.439 nan 8.150 nan 0.000 0.444 318 A N -0.124 122.744 122.820 0.081 0.000 1.897 318 A HA -0.109 4.212 4.320 0.001 0.000 0.215 318 A C 1.655 179.278 177.584 0.065 0.000 1.181 318 A CA 1.742 53.822 52.037 0.070 0.000 0.620 318 A CB -0.486 18.547 19.000 0.056 0.000 0.821 318 A HN 0.402 nan 8.150 nan 0.000 0.443 319 D N -0.313 120.126 120.400 0.065 0.000 2.348 319 D HA 0.005 4.646 4.640 0.001 0.000 0.216 319 D C 1.914 178.266 176.300 0.086 0.000 0.970 319 D CA 0.984 55.020 54.000 0.059 0.000 0.889 319 D CB -0.037 40.795 40.800 0.054 0.000 0.912 319 D HN 0.344 nan 8.370 nan 0.000 0.524 320 S N -0.088 115.685 115.700 0.123 0.000 2.461 320 S HA 0.071 4.542 4.470 0.001 0.000 0.228 320 S C 1.085 175.886 174.600 0.335 0.000 1.005 320 S CA -0.041 58.265 58.200 0.178 0.000 0.942 320 S CB 0.308 63.613 63.200 0.174 0.000 0.776 320 S HN 0.246 nan 8.310 nan 0.000 0.514 321 I N 2.466 123.171 120.570 0.226 0.000 2.648 321 I HA 0.056 4.227 4.170 0.001 0.000 0.284 321 I C -0.528 175.627 176.117 0.065 0.000 1.153 321 I CA -0.087 61.305 61.300 0.153 0.000 1.426 321 I CB 0.637 38.669 38.000 0.054 0.000 1.381 321 I HN -0.089 nan 8.210 nan 0.000 0.571 322 V N 7.420 127.326 119.914 -0.014 0.000 2.417 322 V HA 0.240 4.361 4.120 0.001 0.000 0.291 322 V C -0.147 175.809 176.094 -0.229 0.000 1.024 322 V CA -0.734 61.504 62.300 -0.104 0.000 0.861 322 V CB 1.630 33.411 31.823 -0.070 0.000 0.985 322 V HN 0.402 nan 8.190 nan 0.000 0.436 323 L N 5.645 126.721 121.223 -0.244 0.000 2.281 323 L HA 0.401 4.742 4.340 0.001 0.000 0.285 323 L C 0.528 177.223 176.870 -0.291 0.000 1.074 323 L CA 0.638 55.322 54.840 -0.258 0.000 0.817 323 L CB 0.619 42.527 42.059 -0.252 0.000 1.168 323 L HN 0.612 nan 8.230 nan 0.000 0.434 324 L N 3.531 124.544 121.223 -0.350 0.000 2.316 324 L HA 0.283 4.623 4.340 0.001 0.000 0.207 324 L C 0.527 177.307 176.870 -0.150 0.000 1.070 324 L CA 0.303 54.852 54.840 -0.485 0.000 0.820 324 L CB -0.046 41.380 42.059 -1.054 0.000 0.992 324 L HN 0.563 nan 8.230 nan 0.000 0.466 325 K N 0.271 120.613 120.400 -0.097 0.000 2.498 325 K HA 0.353 4.674 4.320 0.001 0.000 0.254 325 K C -1.209 175.390 176.600 -0.001 0.000 0.933 325 K CA -0.560 55.746 56.287 0.032 0.000 0.806 325 K CB 2.253 34.801 32.500 0.080 0.000 1.301 325 K HN -0.246 nan 8.250 nan 0.000 0.432 326 N N 2.500 121.216 118.700 0.026 0.000 2.839 326 N HA 0.104 4.845 4.740 0.001 0.000 0.230 326 N C -1.726 173.794 175.510 0.017 0.000 1.388 326 N CA -0.382 52.677 53.050 0.015 0.000 0.747 326 N CB 0.635 39.143 38.487 0.035 0.000 1.411 326 N HN 0.418 nan 8.380 nan 0.000 0.556 327 K N 1.035 121.443 120.400 0.012 0.000 2.139 327 K HA 0.457 4.778 4.320 0.001 0.000 0.243 327 K C 0.116 176.712 176.600 -0.006 0.000 0.983 327 K CA -0.870 55.423 56.287 0.010 0.000 0.890 327 K CB 0.706 33.217 32.500 0.019 0.000 1.090 327 K HN 0.283 nan 8.250 nan 0.000 0.445 328 N N 0.887 119.584 118.700 -0.006 0.000 2.714 328 N HA -0.224 4.517 4.740 0.001 0.000 0.250 328 N C -1.054 174.440 175.510 -0.026 0.000 1.117 328 N CA 1.150 54.192 53.050 -0.014 0.000 0.719 328 N CB -1.923 36.556 38.487 -0.014 0.000 1.081 328 N HN 0.932 nan 8.380 nan 0.000 0.557 329 N N -1.236 117.445 118.700 -0.033 0.000 2.721 329 N HA -0.238 4.503 4.740 0.001 0.000 0.249 329 N C 1.006 176.470 175.510 -0.077 0.000 1.072 329 N CA 0.966 53.982 53.050 -0.057 0.000 0.710 329 N CB -1.264 37.196 38.487 -0.047 0.000 0.993 329 N HN 0.559 nan 8.380 nan 0.000 0.547 330 I N -0.571 119.957 120.570 -0.070 0.000 2.264 330 I HA -0.186 3.985 4.170 0.001 0.000 0.248 330 I C 0.857 176.899 176.117 -0.126 0.000 1.111 330 I CA 1.283 62.534 61.300 -0.081 0.000 1.382 330 I CB 0.027 37.987 38.000 -0.066 0.000 1.060 330 I HN 0.206 nan 8.210 nan 0.000 0.418 331 L N 0.989 122.122 121.223 -0.150 0.000 2.342 331 L HA 0.443 4.784 4.340 0.001 0.000 0.271 331 L C -2.430 174.157 176.870 -0.472 0.000 1.008 331 L CA -2.057 52.637 54.840 -0.242 0.000 0.818 331 L CB 1.615 43.623 42.059 -0.085 0.000 1.296 331 L HN -0.222 nan 8.230 nan 0.000 0.427 332 P HA 0.149 nan 4.420 nan 0.000 0.278 332 P C -0.681 176.426 177.300 -0.322 0.000 1.238 332 P CA -0.616 62.177 63.100 -0.511 0.000 0.794 332 P CB 0.975 32.367 31.700 -0.514 0.000 0.955 333 L N 2.565 123.531 121.223 -0.428 0.000 2.482 333 L HA 0.134 4.475 4.340 0.001 0.000 0.273 333 L C 1.312 178.012 176.870 -0.283 0.000 1.228 333 L CA 0.861 55.405 54.840 -0.493 0.000 0.827 333 L CB -0.513 40.953 42.059 -0.988 0.000 1.099 333 L HN 0.523 nan 8.230 nan 0.000 0.494 334 K N 0.773 121.147 120.400 -0.043 0.000 2.482 334 K HA 0.400 4.720 4.320 0.001 0.000 0.257 334 K C 0.224 176.968 176.600 0.241 0.000 0.969 334 K CA -0.915 55.470 56.287 0.163 0.000 0.842 334 K CB 1.564 34.112 32.500 0.080 0.000 1.359 334 K HN 0.193 nan 8.250 nan 0.000 0.441 335 K N 0.763 121.292 120.400 0.215 0.000 2.173 335 K HA -0.211 4.110 4.320 0.001 0.000 0.207 335 K C 1.152 177.811 176.600 0.098 0.000 1.046 335 K CA 2.193 58.559 56.287 0.133 0.000 0.929 335 K CB 0.021 32.556 32.500 0.057 0.000 0.720 335 K HN 0.526 nan 8.250 nan 0.000 0.453 336 E N 0.724 120.971 120.200 0.078 0.000 2.158 336 E HA -0.052 4.299 4.350 0.001 0.000 0.191 336 E C -0.221 176.412 176.600 0.056 0.000 0.982 336 E CA 0.561 56.993 56.400 0.053 0.000 0.823 336 E CB -0.025 29.696 29.700 0.035 0.000 0.766 336 E HN 0.229 nan 8.360 nan 0.000 0.468 337 D N 1.684 122.121 120.400 0.063 0.000 2.531 337 D HA -0.070 4.570 4.640 0.001 0.000 0.239 337 D C -0.043 176.307 176.300 0.083 0.000 1.144 337 D CA 0.246 54.280 54.000 0.056 0.000 0.869 337 D CB 0.195 41.017 40.800 0.036 0.000 1.160 337 D HN -0.038 nan 8.370 nan 0.000 0.484 338 N N 2.476 121.228 118.700 0.087 0.000 2.405 338 N HA 0.174 4.915 4.740 0.001 0.000 0.260 338 N C -0.709 174.922 175.510 0.201 0.000 1.152 338 N CA -0.317 52.820 53.050 0.144 0.000 0.948 338 N CB -0.029 38.522 38.487 0.107 0.000 1.111 338 N HN 0.403 nan 8.380 nan 0.000 0.485 339 I N 0.752 121.427 120.570 0.174 0.000 2.603 339 I HA 0.606 4.777 4.170 0.001 0.000 0.300 339 I C -0.656 175.372 176.117 -0.147 0.000 1.017 339 I CA -1.168 60.164 61.300 0.055 0.000 1.098 339 I CB 1.866 39.897 38.000 0.052 0.000 1.279 339 I HN 0.343 nan 8.210 nan 0.000 0.437 340 I N 5.327 125.680 120.570 -0.362 0.000 2.530 340 I HA 0.573 4.743 4.170 0.001 0.000 0.297 340 I C -1.143 174.902 176.117 -0.120 0.000 1.011 340 I CA -0.935 60.111 61.300 -0.424 0.000 1.107 340 I CB 1.943 39.468 38.000 -0.791 0.000 1.285 340 I HN 0.475 nan 8.210 nan 0.000 0.436 341 V N 8.161 128.091 119.914 0.026 0.000 2.394 341 V HA 0.489 4.610 4.120 0.001 0.000 0.282 341 V C 0.044 176.187 176.094 0.082 0.000 1.031 341 V CA -0.323 62.057 62.300 0.133 0.000 0.881 341 V CB 1.357 33.389 31.823 0.348 0.000 0.982 341 V HN 0.487 nan 8.190 nan 0.000 0.451 342 I N 3.425 124.005 120.570 0.017 0.000 2.730 342 I HA 0.923 5.094 4.170 0.001 0.000 0.298 342 I C 0.331 176.446 176.117 -0.004 0.000 1.089 342 I CA -0.546 60.705 61.300 -0.083 0.000 1.041 342 I CB 2.320 40.246 38.000 -0.123 0.000 1.235 342 I HN 0.828 nan 8.210 nan 0.000 0.423 343 G N 4.835 113.626 108.800 -0.016 0.000 2.375 343 G HA2 0.000 3.961 3.960 0.001 0.000 0.663 343 G HA3 0.000 3.961 3.960 0.001 0.000 0.663 343 G C -2.797 172.185 174.900 0.137 0.000 1.391 343 G CA -0.747 44.381 45.100 0.047 0.000 0.949 343 G HN 0.380 nan 8.290 nan 0.000 0.646 344 P HA -0.050 nan 4.420 nan 0.000 0.222 344 P C 0.965 178.400 177.300 0.224 0.000 1.147 344 P CA 0.987 64.222 63.100 0.226 0.000 0.790 344 P CB 0.224 32.065 31.700 0.235 0.000 0.780 345 N N -0.819 118.000 118.700 0.198 0.000 2.280 345 N HA 0.141 4.881 4.740 0.001 0.000 0.192 345 N C 1.627 177.247 175.510 0.184 0.000 1.109 345 N CA 0.388 53.554 53.050 0.193 0.000 0.855 345 N CB -0.365 38.241 38.487 0.198 0.000 0.974 345 N HN 0.008 nan 8.380 nan 0.000 0.482 346 A N 0.997 123.939 122.820 0.202 0.000 1.877 346 A HA -0.082 4.239 4.320 0.001 0.000 0.216 346 A C 1.805 179.499 177.584 0.183 0.000 1.186 346 A CA 1.362 53.532 52.037 0.222 0.000 0.620 346 A CB -0.093 19.090 19.000 0.304 0.000 0.822 346 A HN 0.157 nan 8.150 nan 0.000 0.443 347 K N -0.629 119.841 120.400 0.117 0.000 2.372 347 K HA 0.413 4.734 4.320 0.001 0.000 0.200 347 K C 0.472 177.121 176.600 0.081 0.000 1.022 347 K CA 0.181 56.490 56.287 0.036 0.000 1.125 347 K CB 0.334 32.735 32.500 -0.165 0.000 0.855 347 K HN 0.453 nan 8.250 nan 0.000 0.524 348 A N 1.636 124.527 122.820 0.118 0.000 2.313 348 A HA 0.199 4.520 4.320 0.001 0.000 0.261 348 A C -0.202 177.441 177.584 0.099 0.000 1.090 348 A CA -0.067 52.034 52.037 0.106 0.000 0.807 348 A CB 0.302 19.381 19.000 0.130 0.000 1.055 348 A HN 0.153 nan 8.150 nan 0.000 0.492 349 K N 1.279 121.722 120.400 0.073 0.000 2.724 349 K HA 0.199 4.520 4.320 0.001 0.000 0.198 349 K C -0.273 176.346 176.600 0.033 0.000 1.099 349 K CA 0.066 56.390 56.287 0.062 0.000 1.025 349 K CB 0.547 33.076 32.500 0.048 0.000 1.509 349 K HN 0.730 nan 8.250 nan 0.000 0.564 350 T N -1.623 112.967 114.554 0.061 0.000 3.688 350 T HA 0.034 4.385 4.350 0.001 0.000 0.307 350 T C 1.220 175.926 174.700 0.010 0.000 1.382 350 T CA -0.550 61.547 62.100 -0.005 0.000 1.136 350 T CB 0.320 69.238 68.868 0.084 0.000 1.207 350 T HN 0.234 nan 8.240 nan 0.000 0.854 351 S N 1.870 117.548 115.700 -0.037 0.000 2.428 351 S HA 0.118 4.589 4.470 0.001 0.000 0.230 351 S C 1.007 175.611 174.600 0.006 0.000 1.014 351 S CA 0.159 58.363 58.200 0.006 0.000 0.957 351 S CB -0.404 62.774 63.200 -0.036 0.000 0.784 351 S HN 1.058 nan 8.310 nan 0.000 0.499 352 S N -0.912 114.678 115.700 -0.183 0.000 2.615 352 S HA 0.718 5.189 4.470 0.001 0.000 0.269 352 S C 0.066 174.285 174.600 -0.635 0.000 1.161 352 S CA -0.634 57.446 58.200 -0.200 0.000 0.817 352 S CB 0.749 63.889 63.200 -0.100 0.000 1.131 352 S HN 0.519 nan 8.310 nan 0.000 0.467 353 G N -0.284 108.023 108.800 -0.823 0.000 2.683 353 G HA2 0.512 4.473 3.960 0.001 0.000 0.260 353 G HA3 0.512 4.473 3.960 0.001 0.000 0.260 353 G C 0.443 174.841 174.900 -0.836 0.000 1.238 353 G CA -0.301 43.816 45.100 -1.638 0.000 0.934 353 G HN 1.143 nan 8.290 nan 0.000 0.534 354 G N -2.113 106.316 108.800 -0.619 0.000 2.448 354 G HA2 0.653 4.614 3.960 0.001 0.000 0.285 354 G HA3 0.653 4.614 3.960 0.001 0.000 0.285 354 G C 0.513 175.349 174.900 -0.108 0.000 1.176 354 G CA 0.634 45.540 45.100 -0.322 0.000 0.852 354 G HN 1.923 nan 8.290 nan 0.000 0.530 355 G N 0.153 108.849 108.800 -0.174 0.000 2.443 355 G HA2 0.034 3.995 3.960 0.001 0.000 0.209 355 G HA3 0.034 3.995 3.960 0.001 0.000 0.209 355 G C 1.481 176.520 174.900 0.232 0.000 1.176 355 G CA 0.696 45.767 45.100 -0.048 0.000 1.074 355 G HN 1.857 nan 8.290 nan 0.000 0.577 356 S N 0.208 116.117 115.700 0.348 0.000 2.469 356 S HA 0.268 4.739 4.470 0.001 0.000 0.238 356 S C 2.341 177.011 174.600 0.118 0.000 0.998 356 S CA 1.843 60.226 58.200 0.305 0.000 0.957 356 S CB -0.177 63.144 63.200 0.201 0.000 0.764 356 S HN 2.118 nan 8.310 nan 0.000 0.514 357 A N 1.506 124.410 122.820 0.140 0.000 2.169 357 A HA 0.345 4.666 4.320 0.001 0.000 0.212 357 A C 1.501 179.108 177.584 0.039 0.000 1.153 357 A CA 0.449 52.538 52.037 0.086 0.000 0.756 357 A CB -0.495 18.637 19.000 0.220 0.000 0.813 357 A HN 0.705 nan 8.150 nan 0.000 0.471 361 S N 2.371 117.972 115.700 -0.165 0.000 2.586 361 S HA 0.242 4.713 4.470 0.001 0.000 0.274 361 S C 0.905 175.391 174.600 -0.190 0.000 1.281 361 S CA -0.381 57.651 58.200 -0.280 0.000 1.035 361 S CB 0.369 63.415 63.200 -0.257 0.000 0.962 361 S HN 0.458 nan 8.310 nan 0.000 0.512 362 Y N 1.269 121.470 120.300 -0.166 0.000 2.062 362 Y HA -0.160 4.390 4.550 0.000 0.000 0.276 362 Y C 0.872 176.800 175.900 0.048 0.000 1.189 362 Y CA 1.186 59.244 58.100 -0.070 0.000 1.130 362 Y CB -0.912 37.507 38.460 -0.068 0.000 0.959 362 Y HN 0.794 nan 8.280 nan 0.000 0.499 363 Y N -5.811 114.570 120.300 0.135 0.000 2.741 363 Y HA 0.623 5.173 4.550 0.001 0.000 0.339 363 Y C -1.776 174.150 175.900 0.042 0.000 1.226 363 Y CA -2.538 55.606 58.100 0.073 0.000 1.072 363 Y CB 0.891 39.396 38.460 0.075 0.000 1.331 363 Y HN -0.366 nan 8.280 nan 0.000 0.453 364 V N 1.802 121.825 119.914 0.182 0.000 2.577 364 V HA 0.478 4.599 4.120 0.001 0.000 0.303 364 V C -0.783 175.448 176.094 0.229 0.000 1.042 364 V CA -1.008 61.367 62.300 0.126 0.000 0.872 364 V CB 1.781 33.626 31.823 0.037 0.000 0.998 364 V HN 0.732 nan 8.190 nan 0.000 0.423 365 V N 4.343 124.407 119.914 0.250 0.000 2.405 365 V HA 0.246 4.367 4.120 0.001 0.000 0.264 365 V C 0.939 177.110 176.094 0.129 0.000 1.048 365 V CA -0.085 62.321 62.300 0.177 0.000 0.966 365 V CB 1.080 33.002 31.823 0.165 0.000 1.015 365 V HN 1.072 nan 8.190 nan 0.000 0.477 366 S N 6.211 121.981 115.700 0.117 0.000 2.584 366 S HA 0.234 4.705 4.470 0.001 0.000 0.270 366 S C -1.606 173.069 174.600 0.123 0.000 1.346 366 S CA -0.829 57.445 58.200 0.123 0.000 1.018 366 S CB 0.914 64.191 63.200 0.129 0.000 0.899 366 S HN 0.505 nan 8.310 nan 0.000 0.542 367 P HA -0.073 nan 4.420 nan 0.000 0.217 367 P C 1.200 178.582 177.300 0.137 0.000 1.150 367 P CA 0.898 64.077 63.100 0.132 0.000 0.832 367 P CB -0.192 31.595 31.700 0.144 0.000 0.787 368 Y N 1.742 122.070 120.300 0.046 0.000 2.053 368 Y HA -0.252 4.298 4.550 0.001 0.000 0.277 368 Y C 2.113 178.017 175.900 0.007 0.000 1.159 368 Y CA 1.798 59.907 58.100 0.016 0.000 1.125 368 Y CB -0.933 37.489 38.460 -0.064 0.000 0.969 368 Y HN -0.016 nan 8.280 nan 0.000 0.492 369 E N -0.533 119.634 120.200 -0.056 0.000 2.085 369 E HA -0.213 4.138 4.350 0.001 0.000 0.194 369 E C 2.420 178.943 176.600 -0.128 0.000 0.994 369 E CA 0.990 57.312 56.400 -0.130 0.000 0.801 369 E CB -0.643 29.057 29.700 0.000 0.000 0.743 369 E HN 0.676 nan 8.360 nan 0.000 0.453 370 G N 1.381 110.154 108.800 -0.045 0.000 2.469 370 G HA2 -0.265 3.695 3.960 0.001 0.000 0.219 370 G HA3 -0.265 3.695 3.960 0.001 0.000 0.219 370 G C 1.603 176.458 174.900 -0.076 0.000 1.150 370 G CA 0.807 45.889 45.100 -0.030 0.000 0.763 370 G HN 0.135 nan 8.290 nan 0.000 0.561 371 I N 0.174 120.692 120.570 -0.088 0.000 2.252 371 I HA -0.127 4.044 4.170 0.001 0.000 0.245 371 I C 2.783 178.782 176.117 -0.198 0.000 1.102 371 I CA 0.342 61.591 61.300 -0.085 0.000 1.385 371 I CB -0.179 37.827 38.000 0.010 0.000 1.064 371 I HN 0.030 nan 8.210 nan 0.000 0.414 372 V N 1.323 121.049 119.914 -0.314 0.000 2.287 372 V HA -0.304 3.817 4.120 0.001 0.000 0.248 372 V C 2.169 178.145 176.094 -0.196 0.000 1.053 372 V CA 2.034 64.154 62.300 -0.300 0.000 1.027 372 V CB -0.900 30.671 31.823 -0.422 0.000 0.646 372 V HN 0.460 nan 8.190 nan 0.000 0.447 373 N N 0.302 118.899 118.700 -0.171 0.000 2.104 373 N HA -0.205 4.536 4.740 0.001 0.000 0.190 373 N C 1.806 177.229 175.510 -0.145 0.000 1.024 373 N CA 1.629 54.600 53.050 -0.131 0.000 0.853 373 N CB -0.413 38.013 38.487 -0.101 0.000 1.008 373 N HN 0.436 nan 8.380 nan 0.000 0.424 374 K N 0.990 121.275 120.400 -0.190 0.000 2.057 374 K HA 0.096 4.417 4.320 0.001 0.000 0.206 374 K C 1.752 178.182 176.600 -0.284 0.000 1.050 374 K CA 0.902 57.026 56.287 -0.271 0.000 0.935 374 K CB -0.225 32.007 32.500 -0.447 0.000 0.715 374 K HN 0.142 nan 8.250 nan 0.000 0.439 375 L N -0.937 120.131 121.223 -0.257 0.000 2.509 375 L HA 0.206 4.546 4.340 0.001 0.000 0.222 375 L C 1.045 177.848 176.870 -0.111 0.000 1.123 375 L CA 0.409 55.140 54.840 -0.182 0.000 0.856 375 L CB -0.191 41.790 42.059 -0.131 0.000 0.985 375 L HN 0.550 nan 8.230 nan 0.000 0.456 376 G N 1.468 110.203 108.800 -0.108 0.000 2.176 376 G HA2 -0.298 3.663 3.960 0.001 0.000 0.252 376 G HA3 -0.298 3.663 3.960 0.001 0.000 0.252 376 G C 0.031 174.897 174.900 -0.057 0.000 1.024 376 G CA 0.874 45.928 45.100 -0.076 0.000 0.755 376 G HN 0.534 nan 8.290 nan 0.000 0.507 377 K N -1.936 118.427 120.400 -0.062 0.000 2.672 377 K HA 0.660 4.981 4.320 0.001 0.000 0.295 377 K C -0.773 175.806 176.600 -0.035 0.000 1.042 377 K CA -1.171 55.096 56.287 -0.034 0.000 0.869 377 K CB 0.549 33.041 32.500 -0.013 0.000 1.541 377 K HN 0.055 nan 8.250 nan 0.000 0.396 378 E N 0.348 120.553 120.200 0.007 0.000 2.366 378 E HA 0.422 4.773 4.350 0.001 0.000 0.266 378 E C -0.666 175.976 176.600 0.071 0.000 1.051 378 E CA -0.779 55.649 56.400 0.047 0.000 0.884 378 E CB 0.984 30.738 29.700 0.090 0.000 1.006 378 E HN 0.340 nan 8.360 nan 0.000 0.417 379 V N 2.537 122.529 119.914 0.131 0.000 2.628 379 V HA 0.177 4.298 4.120 0.001 0.000 0.306 379 V C -0.453 175.819 176.094 0.296 0.000 1.045 379 V CA -1.094 61.309 62.300 0.172 0.000 0.905 379 V CB 1.954 33.833 31.823 0.093 0.000 0.997 379 V HN 0.620 nan 8.190 nan 0.000 0.436 380 D N 2.619 123.138 120.400 0.199 0.000 2.443 380 D HA 0.251 4.892 4.640 0.001 0.000 0.239 380 D C -0.701 175.715 176.300 0.194 0.000 1.136 380 D CA 0.701 54.799 54.000 0.164 0.000 0.879 380 D CB 0.672 41.525 40.800 0.088 0.000 1.195 380 D HN 0.568 nan 8.370 nan 0.000 0.443 381 Y N -0.034 120.259 120.300 -0.011 0.000 2.544 381 Y HA 0.452 5.003 4.550 0.002 0.000 0.342 381 Y C -1.178 174.667 175.900 -0.091 0.000 1.062 381 Y CA -0.567 57.479 58.100 -0.090 0.000 1.023 381 Y CB 2.190 40.474 38.460 -0.293 0.000 1.308 381 Y HN 0.279 nan 8.280 nan 0.000 0.457 382 T N 4.372 118.344 114.554 -0.971 0.000 2.923 382 T HA 0.261 4.611 4.350 0.001 0.000 0.311 382 T C -0.164 173.873 174.700 -1.105 0.000 1.183 382 T CA -0.114 61.422 62.100 -0.940 0.000 1.020 382 T CB 1.612 70.248 68.868 -0.387 0.000 1.165 382 T HN 0.776 nan 8.240 nan 0.000 0.482 383 V N 3.914 123.397 119.914 -0.718 0.000 2.453 383 V HA 0.225 4.346 4.120 0.001 0.000 0.247 383 V C 2.008 177.982 176.094 -0.200 0.000 1.048 383 V CA 3.133 65.246 62.300 -0.313 0.000 1.049 383 V CB -0.964 30.844 31.823 -0.025 0.000 0.672 383 V HN 1.400 nan 8.190 nan 0.000 0.457 384 G N -0.176 108.487 108.800 -0.228 0.000 2.900 384 G HA2 -0.104 3.857 3.960 0.001 0.000 0.223 384 G HA3 -0.104 3.857 3.960 0.001 0.000 0.223 384 G C 0.420 175.236 174.900 -0.140 0.000 1.293 384 G CA 0.293 45.295 45.100 -0.163 0.000 0.792 384 G HN 2.007 nan 8.290 nan 0.000 0.527 385 A N -1.725 121.030 122.820 -0.109 0.000 2.597 385 A HA 0.650 4.971 4.320 0.001 0.000 0.292 385 A C -1.262 176.352 177.584 0.050 0.000 1.057 385 A CA -0.451 51.536 52.037 -0.084 0.000 0.674 385 A CB 0.573 19.563 19.000 -0.016 0.000 1.278 385 A HN 1.086 nan 8.150 nan 0.000 0.416 386 Y N 1.078 121.420 120.300 0.071 0.000 2.310 386 Y HA 0.498 5.049 4.550 0.002 0.000 0.326 386 Y C 1.478 177.427 175.900 0.081 0.000 1.151 386 Y CA -0.345 57.832 58.100 0.128 0.000 1.195 386 Y CB 1.814 40.381 38.460 0.179 0.000 1.210 386 Y HN 0.817 nan 8.280 nan 0.000 0.483 387 S N -0.486 115.401 115.700 0.312 0.000 2.937 387 S HA 0.153 4.624 4.470 0.001 0.000 0.252 387 S C -0.509 174.320 174.600 0.382 0.000 1.022 387 S CA -0.701 57.654 58.200 0.258 0.000 1.079 387 S CB -1.212 62.137 63.200 0.249 0.000 1.035 387 S HN 0.745 nan 8.310 nan 0.000 0.594 388 H N 0.334 119.582 119.070 0.296 0.000 2.790 388 H HA 0.510 5.067 4.556 0.001 0.000 0.358 388 H C 1.119 176.525 175.328 0.130 0.000 1.103 388 H CA -0.365 55.778 56.048 0.159 0.000 1.426 388 H CB 0.889 30.640 29.762 -0.018 0.000 1.424 388 H HN 0.115 nan 8.280 nan 0.000 0.599 389 K N 1.476 121.721 120.400 -0.257 0.000 2.067 389 K HA -0.016 4.305 4.320 0.001 0.000 0.203 389 K C 0.147 176.634 176.600 -0.187 0.000 1.048 389 K CA 0.954 56.839 56.287 -0.670 0.000 0.954 389 K CB 0.258 31.896 32.500 -1.436 0.000 0.737 389 K HN 0.767 nan 8.250 nan 0.000 0.444 390 S N -0.819 114.844 115.700 -0.061 0.000 2.667 390 S HA 0.466 4.937 4.470 0.001 0.000 0.292 390 S C -0.386 174.241 174.600 0.045 0.000 1.126 390 S CA -1.084 57.137 58.200 0.035 0.000 0.881 390 S CB 1.256 64.445 63.200 -0.018 0.000 1.132 390 S HN 0.113 nan 8.310 nan 0.000 0.492 391 I N 2.241 122.793 120.570 -0.031 0.000 2.312 391 I HA 0.509 4.680 4.170 0.001 0.000 0.291 391 I C 1.033 177.078 176.117 -0.121 0.000 1.031 391 I CA -0.143 61.054 61.300 -0.171 0.000 1.293 391 I CB 0.782 38.689 38.000 -0.156 0.000 1.403 391 I HN 0.941 nan 8.210 nan 0.000 0.484 392 G N 3.085 111.798 108.800 -0.144 0.000 3.310 392 G HA2 0.501 4.462 3.960 0.001 0.000 0.176 392 G HA3 0.501 4.462 3.960 0.001 0.000 0.176 392 G C 0.849 175.691 174.900 -0.098 0.000 1.307 392 G CA -0.174 44.871 45.100 -0.090 0.000 0.935 392 G HN 0.871 nan 8.290 nan 0.000 0.628 393 G N -0.977 107.784 108.800 -0.065 0.000 2.187 393 G HA2 -0.212 3.749 3.960 0.001 0.000 0.261 393 G HA3 -0.212 3.749 3.960 0.001 0.000 0.261 393 G C 1.102 175.994 174.900 -0.014 0.000 1.000 393 G CA 1.144 46.221 45.100 -0.038 0.000 0.718 393 G HN 0.962 nan 8.290 nan 0.000 0.519 394 L N 0.165 121.375 121.223 -0.021 0.000 2.084 394 L HA 0.591 4.932 4.340 0.001 0.000 0.202 394 L C 2.901 179.805 176.870 0.057 0.000 1.074 394 L CA 2.725 57.559 54.840 -0.009 0.000 0.757 394 L CB -0.673 41.388 42.059 0.004 0.000 0.918 394 L HN 0.455 nan 8.230 nan 0.000 0.444 395 A N -0.810 122.035 122.820 0.043 0.000 2.015 395 A HA -0.155 4.165 4.320 0.001 0.000 0.219 395 A C 1.972 179.602 177.584 0.076 0.000 1.163 395 A CA 1.539 53.614 52.037 0.064 0.000 0.646 395 A CB -0.530 18.499 19.000 0.048 0.000 0.806 395 A HN 0.543 nan 8.150 nan 0.000 0.448 396 E N 0.064 120.303 120.200 0.065 0.000 2.482 396 E HA -0.014 4.337 4.350 0.001 0.000 0.196 396 E C 1.050 177.705 176.600 0.091 0.000 1.047 396 E CA 0.896 57.335 56.400 0.065 0.000 0.869 396 E CB 0.084 29.811 29.700 0.046 0.000 0.836 396 E HN 0.669 nan 8.360 nan 0.000 0.520 397 S N -1.815 113.965 115.700 0.133 0.000 3.073 397 S HA 0.377 4.848 4.470 0.001 0.000 0.252 397 S C 0.067 174.812 174.600 0.242 0.000 0.953 397 S CA -0.705 57.600 58.200 0.175 0.000 1.105 397 S CB 0.423 63.751 63.200 0.213 0.000 1.070 397 S HN -0.089 nan 8.310 nan 0.000 0.574 398 S N 0.964 116.790 115.700 0.209 0.000 2.689 398 S HA 0.829 5.300 4.470 0.001 0.000 0.306 398 S C -0.830 173.852 174.600 0.137 0.000 1.104 398 S CA -0.748 57.589 58.200 0.229 0.000 0.973 398 S CB 1.317 64.663 63.200 0.244 0.000 1.121 398 S HN 0.462 nan 8.310 nan 0.000 0.523 399 L N 1.886 123.183 121.223 0.122 0.000 2.370 399 L HA 0.471 4.812 4.340 0.001 0.000 0.266 399 L C 0.621 177.545 176.870 0.090 0.000 1.002 399 L CA -0.899 53.993 54.840 0.087 0.000 0.818 399 L CB 1.143 43.239 42.059 0.062 0.000 1.325 399 L HN 0.534 nan 8.230 nan 0.000 0.418 400 I N -0.231 120.385 120.570 0.076 0.000 2.099 400 I HA -0.133 4.038 4.170 0.001 0.000 0.239 400 I C 0.792 176.947 176.117 0.062 0.000 1.066 400 I CA 1.576 62.918 61.300 0.071 0.000 1.324 400 I CB -0.641 37.395 38.000 0.060 0.000 1.037 400 I HN 0.637 nan 8.210 nan 0.000 0.401 401 D N 0.264 120.694 120.400 0.051 0.000 2.453 401 D HA 0.488 5.129 4.640 0.001 0.000 0.238 401 D C 0.862 177.183 176.300 0.035 0.000 1.088 401 D CA -0.080 53.944 54.000 0.040 0.000 0.854 401 D CB 1.856 42.675 40.800 0.032 0.000 1.076 401 D HN 0.102 nan 8.370 nan 0.000 0.533 402 A N 3.463 126.303 122.820 0.034 0.000 1.933 402 A HA -0.074 4.247 4.320 0.001 0.000 0.218 402 A C 1.955 179.546 177.584 0.012 0.000 1.175 402 A CA 1.732 53.783 52.037 0.023 0.000 0.628 402 A CB -0.333 18.678 19.000 0.018 0.000 0.814 402 A HN 0.594 nan 8.150 nan 0.000 0.444 403 A N -0.811 122.015 122.820 0.011 0.000 2.216 403 A HA 0.051 4.372 4.320 0.001 0.000 0.214 403 A C 1.123 178.713 177.584 0.010 0.000 1.160 403 A CA 0.694 52.735 52.037 0.007 0.000 0.725 403 A CB -0.195 18.808 19.000 0.005 0.000 0.784 403 A HN 0.540 nan 8.150 nan 0.000 0.472 404 K N 0.359 120.768 120.400 0.015 0.000 2.139 404 K HA 0.418 4.739 4.320 0.001 0.000 0.243 404 K C -2.702 173.908 176.600 0.016 0.000 0.983 404 K CA -2.255 54.042 56.287 0.016 0.000 0.890 404 K CB 0.631 33.143 32.500 0.020 0.000 1.090 404 K HN 0.020 nan 8.250 nan 0.000 0.445 405 P HA 0.015 nan 4.420 nan 0.000 0.272 405 P C -0.999 176.313 177.300 0.020 0.000 1.230 405 P CA -0.294 62.816 63.100 0.016 0.000 0.788 405 P CB 0.485 32.194 31.700 0.015 0.000 0.949 406 A N 1.736 124.569 122.820 0.021 0.000 3.037 406 A HA 0.135 4.456 4.320 0.001 0.000 0.272 406 A C 0.428 178.028 177.584 0.026 0.000 1.723 406 A CA -0.070 51.983 52.037 0.026 0.000 1.413 406 A CB -1.343 17.672 19.000 0.025 0.000 1.112 406 A HN 0.407 nan 8.150 nan 0.000 0.606 407 D N 0.934 121.350 120.400 0.027 0.000 2.411 407 D HA 0.544 5.185 4.640 0.001 0.000 0.251 407 D C 1.438 177.755 176.300 0.029 0.000 1.201 407 D CA 0.464 54.479 54.000 0.025 0.000 0.996 407 D CB 1.254 42.069 40.800 0.024 0.000 1.101 407 D HN 0.283 nan 8.370 nan 0.000 0.504 408 A N 0.570 123.406 122.820 0.027 0.000 1.840 408 A HA -0.135 4.186 4.320 0.001 0.000 0.214 408 A C 1.799 179.402 177.584 0.032 0.000 1.198 408 A CA 1.563 53.618 52.037 0.030 0.000 0.608 408 A CB -0.754 18.262 19.000 0.027 0.000 0.839 408 A HN 0.761 nan 8.150 nan 0.000 0.443 409 E N -0.055 120.162 120.200 0.029 0.000 2.219 409 E HA -0.270 4.081 4.350 0.001 0.000 0.198 409 E C 1.289 177.910 176.600 0.035 0.000 0.998 409 E CA 1.724 58.142 56.400 0.030 0.000 0.818 409 E CB -0.237 29.478 29.700 0.026 0.000 0.741 409 E HN 0.564 nan 8.360 nan 0.000 0.477 410 N N -0.317 118.404 118.700 0.036 0.000 2.220 410 N HA 0.035 4.776 4.740 0.001 0.000 0.195 410 N C -0.680 174.860 175.510 0.049 0.000 1.123 410 N CA -0.052 53.023 53.050 0.041 0.000 0.874 410 N CB 0.724 39.232 38.487 0.035 0.000 0.995 410 N HN -0.123 nan 8.380 nan 0.000 0.498 411 S N -0.258 115.471 115.700 0.049 0.000 2.537 411 S HA 0.673 5.144 4.470 0.001 0.000 0.275 411 S C 0.467 175.106 174.600 0.064 0.000 1.272 411 S CA 0.134 58.368 58.200 0.057 0.000 1.050 411 S CB 1.023 64.254 63.200 0.052 0.000 0.961 411 S HN 0.638 nan 8.310 nan 0.000 0.496 412 G N 2.058 110.905 108.800 0.078 0.000 2.384 412 G HA2 -0.040 3.921 3.960 0.001 0.000 0.200 412 G HA3 -0.040 3.921 3.960 0.001 0.000 0.200 412 G C -1.629 173.327 174.900 0.094 0.000 1.205 412 G CA -0.670 44.480 45.100 0.083 0.000 1.116 412 G HN 0.707 nan 8.290 nan 0.000 0.547 413 L N -0.424 120.856 121.223 0.095 0.000 2.403 413 L HA 0.735 5.076 4.340 0.001 0.000 0.253 413 L C -0.587 176.348 176.870 0.109 0.000 1.045 413 L CA -1.229 53.672 54.840 0.101 0.000 0.845 413 L CB 2.121 44.238 42.059 0.098 0.000 1.447 413 L HN 0.502 nan 8.230 nan 0.000 0.411 414 I N 1.393 122.028 120.570 0.109 0.000 2.389 414 I HA 0.464 4.635 4.170 0.001 0.000 0.288 414 I C 0.051 176.250 176.117 0.136 0.000 0.999 414 I CA -0.407 60.964 61.300 0.119 0.000 1.129 414 I CB 1.674 39.731 38.000 0.095 0.000 1.288 414 I HN 0.624 nan 8.210 nan 0.000 0.444 415 A N 7.669 130.605 122.820 0.194 0.000 2.252 415 A HA 0.545 4.866 4.320 0.001 0.000 0.309 415 A C -0.078 177.616 177.584 0.185 0.000 1.285 415 A CA -0.566 51.581 52.037 0.183 0.000 0.900 415 A CB 0.300 19.495 19.000 0.325 0.000 1.157 415 A HN 0.672 nan 8.150 nan 0.000 0.536 416 K N 2.304 122.751 120.400 0.079 0.000 2.274 416 K HA 0.495 4.815 4.320 0.001 0.000 0.262 416 K C -1.544 174.990 176.600 -0.109 0.000 0.961 416 K CA -0.027 56.285 56.287 0.041 0.000 0.833 416 K CB 1.716 34.261 32.500 0.076 0.000 1.102 416 K HN 0.624 nan 8.250 nan 0.000 0.436 417 F N 2.561 122.231 119.950 -0.467 0.000 2.408 417 F HA 0.356 4.885 4.527 0.004 0.000 0.344 417 F C -0.161 174.979 175.800 -1.100 0.000 1.112 417 F CA -0.649 56.929 58.000 -0.702 0.000 1.096 417 F CB 0.783 39.118 39.000 -1.108 0.000 1.129 417 F HN 0.391 nan 8.300 nan 0.000 0.486 418 Y N 0.367 120.565 120.300 -0.171 0.000 2.536 418 Y HA 0.222 4.774 4.550 0.003 0.000 0.347 418 Y C 0.971 177.251 175.900 0.632 0.000 1.000 418 Y CA -0.791 57.401 58.100 0.154 0.000 1.051 418 Y CB 2.045 40.606 38.460 0.168 0.000 1.259 418 Y HN 0.481 nan 8.280 nan 0.000 0.468 419 S N 0.604 116.823 115.700 0.865 0.000 2.453 419 S HA -0.035 4.436 4.470 0.001 0.000 0.231 419 S C -0.144 174.895 174.600 0.732 0.000 1.005 419 S CA 0.664 59.319 58.200 0.757 0.000 0.949 419 S CB -0.391 63.116 63.200 0.513 0.000 0.774 419 S HN 0.656 nan 8.310 nan 0.000 0.510 420 N N 0.813 119.862 118.700 0.581 0.000 2.240 420 N HA 0.387 5.128 4.740 0.001 0.000 0.302 420 N C -3.050 172.296 175.510 -0.274 0.000 1.106 420 N CA -1.744 51.461 53.050 0.258 0.000 0.778 420 N CB 2.102 40.674 38.487 0.142 0.000 1.431 420 N HN -0.020 nan 8.380 nan 0.000 0.479 421 P HA -0.019 nan 4.420 nan 0.000 0.274 421 P C 0.628 177.586 177.300 -0.570 0.000 1.246 421 P CA -0.265 62.048 63.100 -1.313 0.000 0.795 421 P CB 1.278 32.152 31.700 -1.377 0.000 1.006 422 V N 1.374 121.010 119.914 -0.464 0.000 2.626 422 V HA -0.184 3.937 4.120 0.001 0.000 0.252 422 V C 1.843 177.781 176.094 -0.260 0.000 1.067 422 V CA 1.938 64.026 62.300 -0.355 0.000 1.081 422 V CB -1.231 30.409 31.823 -0.303 0.000 0.686 422 V HN 0.454 nan 8.190 nan 0.000 0.468 423 E N -0.152 119.905 120.200 -0.239 0.000 2.478 423 E HA -0.090 4.261 4.350 0.001 0.000 0.198 423 E C 1.894 178.408 176.600 -0.143 0.000 1.046 423 E CA 0.954 57.256 56.400 -0.164 0.000 0.870 423 E CB 0.117 29.733 29.700 -0.141 0.000 0.818 423 E HN 0.728 nan 8.360 nan 0.000 0.527 424 E N -0.491 119.607 120.200 -0.169 0.000 2.489 424 E HA 0.079 4.430 4.350 0.001 0.000 0.208 424 E C 0.046 176.592 176.600 -0.091 0.000 0.814 424 E CA -0.217 56.114 56.400 -0.115 0.000 1.348 424 E CB 0.587 30.219 29.700 -0.113 0.000 1.334 424 E HN 0.109 nan 8.360 nan 0.000 0.672 425 R N 1.146 121.573 120.500 -0.122 0.000 2.641 425 R HA 0.349 4.690 4.340 0.001 0.000 0.269 425 R C -0.082 176.188 176.300 -0.050 0.000 1.074 425 R CA -0.317 55.741 56.100 -0.069 0.000 1.133 425 R CB 0.498 30.747 30.300 -0.085 0.000 1.029 425 R HN -0.249 nan 8.270 nan 0.000 0.488 426 S N 0.799 116.495 115.700 -0.006 0.000 2.566 426 S HA -0.084 4.387 4.470 0.001 0.000 0.280 426 S C 0.543 175.141 174.600 -0.003 0.000 1.343 426 S CA -0.440 57.762 58.200 0.003 0.000 1.036 426 S CB 0.674 63.892 63.200 0.029 0.000 0.866 426 S HN 0.720 nan 8.310 nan 0.000 0.526 427 D N 0.880 121.276 120.400 -0.007 0.000 2.371 427 D HA -0.082 4.559 4.640 0.001 0.000 0.221 427 D C 0.334 176.652 176.300 0.030 0.000 0.986 427 D CA 0.751 54.747 54.000 -0.006 0.000 0.899 427 D CB -0.057 40.734 40.800 -0.015 0.000 0.902 427 D HN 0.687 nan 8.370 nan 0.000 0.530 428 D N -0.480 119.947 120.400 0.044 0.000 2.368 428 D HA 0.025 4.666 4.640 0.001 0.000 0.218 428 D C 0.416 176.776 176.300 0.102 0.000 1.112 428 D CA -0.277 53.763 54.000 0.067 0.000 0.834 428 D CB -0.193 40.639 40.800 0.053 0.000 0.953 428 D HN 0.091 nan 8.370 nan 0.000 0.505 429 E N 1.465 121.740 120.200 0.124 0.000 2.324 429 E HA 0.012 4.363 4.350 0.001 0.000 0.271 429 E C -0.238 176.530 176.600 0.282 0.000 1.028 429 E CA -0.275 56.242 56.400 0.194 0.000 0.890 429 E CB 0.594 30.422 29.700 0.214 0.000 1.004 429 E HN 0.098 nan 8.360 nan 0.000 0.431 430 E N 5.237 125.572 120.200 0.225 0.000 2.301 430 E HA 0.231 4.582 4.350 0.001 0.000 0.275 430 E C -2.098 174.519 176.600 0.028 0.000 1.030 430 E CA -1.937 54.559 56.400 0.159 0.000 0.852 430 E CB 1.124 30.892 29.700 0.114 0.000 1.060 430 E HN 0.489 nan 8.360 nan 0.000 0.401 431 P HA -0.010 nan 4.420 nan 0.000 0.271 431 P C 0.331 177.494 177.300 -0.229 0.000 1.218 431 P CA -0.005 62.648 63.100 -0.744 0.000 0.780 431 P CB 0.248 31.467 31.700 -0.800 0.000 0.901 432 F N -0.406 119.464 119.950 -0.134 0.000 2.664 432 F HA 0.299 4.827 4.527 0.001 0.000 0.296 432 F C 0.628 176.417 175.800 -0.018 0.000 1.125 432 F CA 0.098 58.065 58.000 -0.056 0.000 1.444 432 F CB -0.733 38.210 39.000 -0.095 0.000 1.114 432 F HN 0.312 nan 8.300 nan 0.000 0.576 433 H N -0.387 118.524 119.070 -0.265 0.000 3.046 433 H HA 0.692 5.248 4.556 0.000 0.000 0.363 433 H C -1.847 173.467 175.328 -0.024 0.000 1.203 433 H CA -1.216 54.775 56.048 -0.096 0.000 1.169 433 H CB 2.227 31.852 29.762 -0.230 0.000 1.851 433 H HN -0.126 nan 8.280 nan 0.000 0.546 434 V N 3.832 123.569 119.914 -0.296 0.000 2.686 434 V HA 0.584 4.704 4.120 0.001 0.000 0.306 434 V C -0.702 175.307 176.094 -0.141 0.000 1.065 434 V CA -0.576 61.670 62.300 -0.090 0.000 0.894 434 V CB 2.005 33.800 31.823 -0.047 0.000 1.004 434 V HN 0.942 nan 8.190 nan 0.000 0.424 435 T N 3.865 118.481 114.554 0.103 0.000 2.952 435 T HA 0.343 4.694 4.350 0.001 0.000 0.305 435 T C -0.753 174.052 174.700 0.176 0.000 1.064 435 T CA -0.696 61.489 62.100 0.143 0.000 1.008 435 T CB 1.975 71.085 68.868 0.403 0.000 1.078 435 T HN 0.570 nan 8.240 nan 0.000 0.459 436 K N 2.661 123.116 120.400 0.092 0.000 2.276 436 K HA 0.477 4.798 4.320 0.001 0.000 0.283 436 K C -0.844 175.806 176.600 0.083 0.000 1.044 436 K CA -0.299 56.041 56.287 0.088 0.000 0.944 436 K CB 0.659 33.191 32.500 0.053 0.000 1.012 436 K HN 0.364 nan 8.250 nan 0.000 0.472 437 V N 5.373 125.359 119.914 0.120 0.000 2.370 437 V HA 0.152 4.273 4.120 0.001 0.000 0.283 437 V C 0.636 176.777 176.094 0.079 0.000 1.023 437 V CA -0.673 61.701 62.300 0.123 0.000 0.857 437 V CB 1.422 33.367 31.823 0.203 0.000 0.985 437 V HN 0.791 nan 8.190 nan 0.000 0.443 438 N N 3.575 122.305 118.700 0.049 0.000 2.414 438 N HA 0.149 4.890 4.740 0.001 0.000 0.177 438 N C 0.460 175.996 175.510 0.043 0.000 1.062 438 N CA 0.222 53.299 53.050 0.044 0.000 0.890 438 N CB 0.695 39.199 38.487 0.029 0.000 1.070 438 N HN 0.552 nan 8.380 nan 0.000 0.454 439 R N 0.032 120.558 120.500 0.044 0.000 2.562 439 R HA 0.415 4.756 4.340 0.001 0.000 0.298 439 R C 0.606 176.922 176.300 0.026 0.000 0.961 439 R CA -0.359 55.762 56.100 0.035 0.000 0.881 439 R CB 1.641 31.962 30.300 0.036 0.000 1.159 439 R HN -0.114 nan 8.270 nan 0.000 0.450 440 S N 1.068 116.768 115.700 0.001 0.000 2.402 440 S HA -0.115 4.356 4.470 0.001 0.000 0.229 440 S C 0.953 175.506 174.600 -0.079 0.000 1.021 440 S CA 0.838 59.015 58.200 -0.038 0.000 0.974 440 S CB -0.179 63.000 63.200 -0.034 0.000 0.800 440 S HN 0.521 nan 8.310 nan 0.000 0.484 441 N N 2.632 121.322 118.700 -0.017 0.000 2.400 441 N HA 0.047 4.788 4.740 0.001 0.000 0.267 441 N C -1.185 174.327 175.510 0.004 0.000 1.208 441 N CA 0.185 53.251 53.050 0.027 0.000 0.951 441 N CB 0.263 38.798 38.487 0.080 0.000 1.227 441 N HN -0.072 nan 8.380 nan 0.000 0.488 442 V N 4.745 124.526 119.914 -0.221 0.000 2.339 442 V HA 0.043 4.164 4.120 0.001 0.000 0.261 442 V C 0.010 176.031 176.094 -0.121 0.000 1.058 442 V CA -0.574 61.569 62.300 -0.263 0.000 0.897 442 V CB -0.213 31.016 31.823 -0.990 0.000 1.052 442 V HN 0.585 nan 8.190 nan 0.000 0.480 443 H N 5.297 124.400 119.070 0.056 0.000 2.661 443 H HA 0.476 5.033 4.556 0.001 0.000 0.290 443 H C 0.284 175.724 175.328 0.187 0.000 1.082 443 H CA -0.456 55.615 56.048 0.039 0.000 1.234 443 H CB 0.966 30.707 29.762 -0.035 0.000 1.387 443 H HN 0.578 nan 8.280 nan 0.000 0.476 444 L N 5.342 126.510 121.223 -0.092 0.000 2.700 444 L HA 0.065 4.406 4.340 0.001 0.000 0.234 444 L C 1.514 178.509 176.870 0.209 0.000 1.156 444 L CA -0.171 54.771 54.840 0.170 0.000 0.946 444 L CB -0.331 41.850 42.059 0.205 0.000 1.216 444 L HN 0.534 nan 8.230 nan 0.000 0.493 445 F N 2.967 122.802 119.950 -0.191 0.000 2.048 445 F HA -0.350 4.178 4.527 0.002 0.000 0.296 445 F C 1.863 177.579 175.800 -0.140 0.000 1.109 445 F CA 2.440 60.361 58.000 -0.132 0.000 1.214 445 F CB 0.029 38.934 39.000 -0.160 0.000 0.963 445 F HN 0.429 nan 8.300 nan 0.000 0.491 446 D N -1.237 119.093 120.400 -0.117 0.000 2.501 446 D HA 0.013 4.654 4.640 0.001 0.000 0.226 446 D C 0.173 176.491 176.300 0.031 0.000 1.198 446 D CA -0.525 53.104 54.000 -0.619 0.000 0.830 446 D CB -1.616 38.959 40.800 -0.376 0.000 1.014 446 D HN 0.211 nan 8.370 nan 0.000 0.496 447 F N 2.253 122.265 119.950 0.104 0.000 2.572 447 F HA 0.230 4.759 4.527 0.005 0.000 0.370 447 F C 0.379 176.247 175.800 0.114 0.000 1.103 447 F CA 0.046 58.152 58.000 0.177 0.000 1.286 447 F CB 0.662 39.799 39.000 0.228 0.000 1.105 447 F HN -0.173 nan 8.300 nan 0.000 0.583 448 K N 6.272 126.215 120.400 -0.762 0.000 2.482 448 K HA 0.339 4.659 4.320 0.001 0.000 0.251 448 K C -1.938 174.248 176.600 -0.688 0.000 0.936 448 K CA -0.693 55.315 56.287 -0.464 0.000 0.791 448 K CB 1.127 33.534 32.500 -0.155 0.000 1.213 448 K HN 0.883 nan 8.250 nan 0.000 0.428 449 H N 2.225 120.996 119.070 -0.497 0.000 3.094 449 H HA 0.022 4.581 4.556 0.005 0.000 0.346 449 H C -0.090 175.063 175.328 -0.291 0.000 1.238 449 H CA -0.148 55.639 56.048 -0.435 0.000 1.209 449 H CB 1.961 31.456 29.762 -0.445 0.000 1.911 449 H HN 0.832 nan 8.280 nan 0.000 0.540 450 E N 1.882 121.794 120.200 -0.479 0.000 2.209 450 E HA -0.142 4.209 4.350 0.001 0.000 0.196 450 E C 0.736 177.276 176.600 -0.101 0.000 0.993 450 E CA 1.187 57.452 56.400 -0.224 0.000 0.819 450 E CB 0.187 29.751 29.700 -0.226 0.000 0.745 450 E HN 0.213 nan 8.360 nan 0.000 0.477 451 K N 0.646 121.027 120.400 -0.032 0.000 2.487 451 K HA 0.165 4.485 4.320 0.001 0.000 0.192 451 K C -0.398 176.015 176.600 -0.312 0.000 1.027 451 K CA 0.092 56.155 56.287 -0.374 0.000 1.054 451 K CB 0.534 32.315 32.500 -1.198 0.000 0.824 451 K HN 0.074 nan 8.250 nan 0.000 0.510 452 V N 1.865 121.695 119.914 -0.141 0.000 2.483 452 V HA 0.108 4.229 4.120 0.001 0.000 0.297 452 V C -0.598 175.544 176.094 0.081 0.000 1.027 452 V CA -1.415 60.910 62.300 0.042 0.000 0.855 452 V CB 2.065 33.940 31.823 0.087 0.000 0.995 452 V HN 0.018 nan 8.190 nan 0.000 0.424 453 D N 7.308 127.786 120.400 0.130 0.000 2.325 453 D HA 0.264 4.905 4.640 0.001 0.000 0.251 453 D C -1.536 174.836 176.300 0.120 0.000 1.196 453 D CA -1.996 52.060 54.000 0.092 0.000 0.866 453 D CB 2.192 43.043 40.800 0.086 0.000 1.101 453 D HN 0.201 nan 8.370 nan 0.000 0.476 454 P HA -0.084 nan 4.420 nan 0.000 0.222 454 P C 0.759 178.101 177.300 0.071 0.000 1.147 454 P CA 1.021 64.174 63.100 0.088 0.000 0.790 454 P CB 0.309 32.020 31.700 0.018 0.000 0.780 455 K N -1.653 118.771 120.400 0.040 0.000 2.459 455 K HA 0.040 4.361 4.320 0.001 0.000 0.193 455 K C 0.377 177.009 176.600 0.053 0.000 1.030 455 K CA 0.307 56.608 56.287 0.022 0.000 1.026 455 K CB -0.071 32.420 32.500 -0.015 0.000 0.809 455 K HN 0.015 nan 8.250 nan 0.000 0.504 456 N N 0.341 119.103 118.700 0.102 0.000 2.946 456 N HA 0.063 4.804 4.740 0.001 0.000 0.213 456 N C -3.023 172.629 175.510 0.237 0.000 1.440 456 N CA -1.294 51.842 53.050 0.144 0.000 0.745 456 N CB 1.008 39.553 38.487 0.097 0.000 1.471 456 N HN -0.208 nan 8.380 nan 0.000 0.569 457 P HA 0.116 nan 4.420 nan 0.000 0.260 457 P C -1.247 176.299 177.300 0.410 0.000 1.651 457 P CA 0.042 63.381 63.100 0.398 0.000 1.139 457 P CB -0.590 31.365 31.700 0.425 0.000 1.756 458 Y N 6.872 127.341 120.300 0.281 0.000 2.402 458 Y HA 0.541 5.092 4.550 0.001 0.000 0.332 458 Y C -0.731 175.271 175.900 0.171 0.000 0.960 458 Y CA -0.713 57.428 58.100 0.070 0.000 1.228 458 Y CB 0.594 39.097 38.460 0.071 0.000 1.120 458 Y HN 0.314 nan 8.280 nan 0.000 0.491 459 F N 2.988 122.666 119.950 -0.453 0.000 2.858 459 F HA 0.749 5.278 4.527 0.004 0.000 0.319 459 F C -2.547 172.774 175.800 -0.798 0.000 1.166 459 F CA -1.983 55.864 58.000 -0.254 0.000 0.899 459 F CB 1.067 40.278 39.000 0.351 0.000 1.332 459 F HN 0.096 nan 8.300 nan 0.000 0.461 460 F N 0.717 120.830 119.950 0.271 0.000 2.588 460 F HA 0.806 5.334 4.527 0.001 0.000 0.314 460 F C -0.741 175.102 175.800 0.071 0.000 1.069 460 F CA -1.310 56.691 58.000 0.001 0.000 0.931 460 F CB 2.342 41.333 39.000 -0.016 0.000 1.260 460 F HN 0.428 nan 8.300 nan 0.000 0.465 461 V N 0.924 120.905 119.914 0.110 0.000 2.638 461 V HA 0.497 4.618 4.120 0.001 0.000 0.306 461 V C -0.702 175.372 176.094 -0.033 0.000 1.052 461 V CA -0.721 61.501 62.300 -0.129 0.000 0.885 461 V CB 2.191 33.803 31.823 -0.351 0.000 0.999 461 V HN 0.792 nan 8.190 nan 0.000 0.424 462 T N 5.898 120.476 114.554 0.041 0.000 2.756 462 T HA 0.550 4.901 4.350 0.001 0.000 0.290 462 T C -0.627 174.089 174.700 0.027 0.000 0.985 462 T CA -0.158 61.959 62.100 0.029 0.000 0.955 462 T CB 0.957 69.872 68.868 0.078 0.000 0.930 462 T HN 0.382 nan 8.240 nan 0.000 0.451 463 L N 5.220 126.445 121.223 0.003 0.000 2.287 463 L HA 0.701 5.042 4.340 0.001 0.000 0.287 463 L C 0.072 176.967 176.870 0.041 0.000 1.022 463 L CA 0.020 54.890 54.840 0.051 0.000 0.814 463 L CB 1.088 43.214 42.059 0.111 0.000 1.217 463 L HN 0.765 nan 8.230 nan 0.000 0.420 464 T N 1.559 116.153 114.554 0.067 0.000 2.912 464 T HA 0.989 5.340 4.350 0.001 0.000 0.299 464 T C -0.256 174.497 174.700 0.088 0.000 1.052 464 T CA -0.199 61.944 62.100 0.072 0.000 0.996 464 T CB 1.808 70.716 68.868 0.066 0.000 1.070 464 T HN 0.980 nan 8.240 nan 0.000 0.465 465 G N 0.911 109.774 108.800 0.105 0.000 2.427 465 G HA2 0.543 4.504 3.960 0.001 0.000 0.306 465 G HA3 0.543 4.504 3.960 0.001 0.000 0.306 465 G C -2.230 172.761 174.900 0.152 0.000 1.280 465 G CA -0.920 44.252 45.100 0.119 0.000 0.837 465 G HN 0.817 nan 8.290 nan 0.000 0.482 466 Q N -0.509 119.389 119.800 0.164 0.000 2.337 466 Q HA 0.483 4.824 4.340 0.001 0.000 0.270 466 Q C -1.959 174.193 176.000 0.252 0.000 1.043 466 Q CA -0.764 55.153 55.803 0.190 0.000 0.794 466 Q CB 3.134 31.942 28.738 0.118 0.000 1.281 466 Q HN 0.524 nan 8.270 nan 0.000 0.446 467 Y N 1.841 122.243 120.300 0.169 0.000 2.335 467 Y HA 0.463 5.014 4.550 0.001 0.000 0.338 467 Y C -1.156 174.848 175.900 0.174 0.000 0.977 467 Y CA -0.857 57.341 58.100 0.163 0.000 1.114 467 Y CB 1.195 39.779 38.460 0.207 0.000 1.182 467 Y HN 0.374 nan 8.280 nan 0.000 0.463 468 V N 9.031 128.629 119.914 -0.526 0.000 2.325 468 V HA 0.344 4.465 4.120 0.001 0.000 0.280 468 V C -2.233 173.497 176.094 -0.606 0.000 1.016 468 V CA -1.900 60.174 62.300 -0.376 0.000 0.818 468 V CB 0.893 32.618 31.823 -0.162 0.000 1.019 468 V HN 0.694 nan 8.190 nan 0.000 0.434 469 P HA 0.125 nan 4.420 nan 0.000 0.266 469 P C -0.149 177.081 177.300 -0.116 0.000 1.195 469 P CA -0.023 62.816 63.100 -0.434 0.000 0.768 469 P CB 0.864 32.317 31.700 -0.412 0.000 0.838 470 Q N 0.977 120.791 119.800 0.022 0.000 2.189 470 Q HA 0.240 4.581 4.340 0.001 0.000 0.221 470 Q C -0.247 175.825 176.000 0.121 0.000 0.848 470 Q CA 0.303 56.144 55.803 0.063 0.000 1.007 470 Q CB 0.692 29.468 28.738 0.062 0.000 1.116 470 Q HN 0.609 nan 8.270 nan 0.000 0.481 471 E N 0.399 120.710 120.200 0.185 0.000 2.478 471 E HA 0.124 4.475 4.350 0.001 0.000 0.293 471 E C -1.514 175.227 176.600 0.235 0.000 1.011 471 E CA -0.377 56.129 56.400 0.177 0.000 0.834 471 E CB 1.491 31.283 29.700 0.153 0.000 1.226 471 E HN 0.061 nan 8.360 nan 0.000 0.419 472 D N 1.420 121.916 120.400 0.160 0.000 2.372 472 D HA 0.472 5.113 4.640 0.001 0.000 0.243 472 D C 0.572 176.973 176.300 0.169 0.000 1.121 472 D CA 0.724 54.826 54.000 0.171 0.000 0.898 472 D CB 1.597 42.465 40.800 0.112 0.000 1.202 472 D HN 0.672 nan 8.370 nan 0.000 0.428 473 G N 1.499 110.419 108.800 0.199 0.000 2.278 473 G HA2 -0.071 3.890 3.960 0.001 0.000 0.265 473 G HA3 -0.071 3.890 3.960 0.001 0.000 0.265 473 G C -1.695 173.308 174.900 0.171 0.000 1.329 473 G CA -0.851 44.324 45.100 0.126 0.000 1.017 473 G HN 0.397 nan 8.290 nan 0.000 0.472 474 D N 0.387 120.806 120.400 0.032 0.000 2.225 474 D HA 0.636 5.277 4.640 0.001 0.000 0.248 474 D C -0.833 175.419 176.300 -0.080 0.000 1.096 474 D CA 0.513 54.537 54.000 0.041 0.000 0.863 474 D CB 0.942 41.746 40.800 0.006 0.000 1.156 474 D HN 0.327 nan 8.370 nan 0.000 0.450 475 Y N 0.854 121.112 120.300 -0.070 0.000 2.446 475 Y HA 0.483 5.034 4.550 0.001 0.000 0.345 475 Y C 0.014 175.770 175.900 -0.240 0.000 0.984 475 Y CA -0.966 57.015 58.100 -0.198 0.000 1.058 475 Y CB 1.348 39.600 38.460 -0.346 0.000 1.220 475 Y HN 0.180 nan 8.280 nan 0.000 0.455 476 I N 4.078 124.563 120.570 -0.142 0.000 2.312 476 I HA 0.305 4.476 4.170 0.001 0.000 0.290 476 I C -0.892 175.083 176.117 -0.237 0.000 1.008 476 I CA -0.278 60.957 61.300 -0.108 0.000 1.226 476 I CB 0.435 38.407 38.000 -0.047 0.000 1.371 476 I HN 0.343 nan 8.210 nan 0.000 0.468 477 F N 3.819 123.718 119.950 -0.086 0.000 2.403 477 F HA 0.630 5.157 4.527 0.001 0.000 0.326 477 F C 0.710 176.480 175.800 -0.049 0.000 1.081 477 F CA -0.179 57.752 58.000 -0.115 0.000 1.041 477 F CB 1.799 40.575 39.000 -0.373 0.000 1.234 477 F HN 0.487 nan 8.300 nan 0.000 0.503 478 S N 1.928 117.784 115.700 0.260 0.000 2.579 478 S HA 0.818 5.289 4.470 0.001 0.000 0.272 478 S C -1.859 172.868 174.600 0.211 0.000 1.141 478 S CA -0.802 57.492 58.200 0.156 0.000 0.843 478 S CB 2.070 65.301 63.200 0.051 0.000 1.122 478 S HN 0.581 nan 8.310 nan 0.000 0.468 479 L N 1.056 122.339 121.223 0.100 0.000 2.464 479 L HA 0.621 4.962 4.340 0.001 0.000 0.266 479 L C -1.371 175.432 176.870 -0.111 0.000 0.965 479 L CA -0.131 54.727 54.840 0.031 0.000 0.833 479 L CB 1.929 44.040 42.059 0.087 0.000 1.296 479 L HN 0.969 nan 8.230 nan 0.000 0.405 480 Q N 3.682 123.309 119.800 -0.288 0.000 2.372 480 Q HA 0.851 5.192 4.340 0.001 0.000 0.273 480 Q C -1.359 174.271 176.000 -0.617 0.000 1.078 480 Q CA -0.927 54.567 55.803 -0.515 0.000 0.806 480 Q CB 3.289 31.502 28.738 -0.875 0.000 1.332 480 Q HN 0.591 nan 8.270 nan 0.000 0.435 481 V N -1.094 118.643 119.914 -0.295 0.000 3.049 481 V HA 0.627 4.748 4.120 0.001 0.000 0.309 481 V C -2.014 174.306 176.094 0.377 0.000 1.148 481 V CA -0.798 61.551 62.300 0.081 0.000 0.990 481 V CB 2.027 33.918 31.823 0.113 0.000 1.039 481 V HN 0.858 nan 8.190 nan 0.000 0.430 482 Y N 3.201 123.742 120.300 0.402 0.000 2.338 482 Y HA 0.766 5.317 4.550 0.002 0.000 0.328 482 Y C 0.518 176.469 175.900 0.085 0.000 0.965 482 Y CA 0.916 59.132 58.100 0.194 0.000 1.208 482 Y CB 1.148 39.727 38.460 0.198 0.000 1.132 482 Y HN 1.665 nan 8.280 nan 0.000 0.469 483 G N 2.688 111.357 108.800 -0.219 0.000 2.637 483 G HA2 0.001 3.962 3.960 0.001 0.000 0.211 483 G HA3 0.001 3.962 3.960 0.001 0.000 0.211 483 G C -1.026 173.638 174.900 -0.393 0.000 1.213 483 G CA -0.260 44.622 45.100 -0.363 0.000 1.207 483 G HN 0.903 nan 8.290 nan 0.000 0.559 484 S N -0.427 114.987 115.700 -0.477 0.000 2.543 484 S HA 0.761 5.231 4.470 0.001 0.000 0.271 484 S C -0.239 174.172 174.600 -0.315 0.000 1.148 484 S CA 0.852 58.834 58.200 -0.364 0.000 0.914 484 S CB 1.255 64.233 63.200 -0.370 0.000 1.096 484 S HN 2.263 nan 8.310 nan 0.000 0.471 485 G N 2.286 110.969 108.800 -0.196 0.000 2.718 485 G HA2 0.690 4.651 3.960 0.001 0.000 0.295 485 G HA3 0.690 4.651 3.960 0.001 0.000 0.295 485 G C -2.200 172.604 174.900 -0.160 0.000 1.421 485 G CA -0.551 44.447 45.100 -0.170 0.000 0.902 485 G HN 0.717 nan 8.290 nan 0.000 0.501 486 L N 1.015 122.140 121.223 -0.163 0.000 2.438 486 L HA 0.487 4.828 4.340 0.001 0.000 0.270 486 L C -1.147 175.592 176.870 -0.218 0.000 0.972 486 L CA -0.615 54.091 54.840 -0.224 0.000 0.831 486 L CB 2.681 44.593 42.059 -0.245 0.000 1.273 486 L HN 0.588 nan 8.230 nan 0.000 0.405 487 F N 3.181 122.887 119.950 -0.407 0.000 2.388 487 F HA 0.499 5.027 4.527 0.002 0.000 0.358 487 F C -0.962 174.566 175.800 -0.453 0.000 1.122 487 F CA -0.705 57.112 58.000 -0.305 0.000 1.056 487 F CB 0.773 39.655 39.000 -0.197 0.000 1.155 487 F HN 0.324 nan 8.300 nan 0.000 0.461 488 Y N 5.997 126.528 120.300 0.385 0.000 2.341 488 Y HA 0.479 5.029 4.550 0.001 0.000 0.337 488 Y C -0.751 175.196 175.900 0.078 0.000 1.014 488 Y CA -0.867 57.302 58.100 0.114 0.000 1.111 488 Y CB 1.728 40.224 38.460 0.059 0.000 1.194 488 Y HN 0.472 nan 8.280 nan 0.000 0.462 489 L N 4.586 125.808 121.223 -0.002 0.000 2.333 489 L HA 0.473 4.814 4.340 0.001 0.000 0.280 489 L C -0.324 176.573 176.870 0.045 0.000 1.004 489 L CA -0.544 54.249 54.840 -0.077 0.000 0.820 489 L CB 0.813 42.612 42.059 -0.433 0.000 1.247 489 L HN 0.687 nan 8.230 nan 0.000 0.416 490 N N 4.079 122.840 118.700 0.101 0.000 2.707 490 N HA -0.251 4.490 4.740 0.001 0.000 0.253 490 N C -0.201 175.346 175.510 0.061 0.000 0.998 490 N CA 1.290 54.390 53.050 0.084 0.000 0.751 490 N CB -0.865 37.677 38.487 0.092 0.000 0.920 490 N HN 0.851 nan 8.380 nan 0.000 0.539 491 D N -2.387 118.056 120.400 0.072 0.000 3.077 491 D HA -0.214 4.427 4.640 0.001 0.000 0.217 491 D C -0.281 176.088 176.300 0.115 0.000 1.162 491 D CA 1.195 55.210 54.000 0.024 0.000 0.943 491 D CB -0.906 39.863 40.800 -0.052 0.000 1.122 491 D HN 0.659 nan 8.370 nan 0.000 0.413 492 E N 0.078 120.371 120.200 0.155 0.000 2.156 492 E HA 0.356 4.707 4.350 0.001 0.000 0.279 492 E C -0.053 176.643 176.600 0.160 0.000 0.965 492 E CA -0.928 55.560 56.400 0.146 0.000 0.789 492 E CB 1.431 31.156 29.700 0.043 0.000 1.098 492 E HN -0.017 nan 8.360 nan 0.000 0.397 493 L N 5.982 127.290 121.223 0.141 0.000 2.698 493 L HA 0.002 4.343 4.340 0.001 0.000 0.272 493 L C 0.510 177.258 176.870 -0.204 0.000 1.154 493 L CA 0.883 55.596 54.840 -0.212 0.000 0.964 493 L CB -0.135 41.808 42.059 -0.193 0.000 1.272 493 L HN 0.671 nan 8.230 nan 0.000 0.483 494 I N 2.525 122.917 120.570 -0.297 0.000 3.265 494 I HA 0.280 4.451 4.170 0.001 0.000 0.282 494 I C 0.287 176.255 176.117 -0.247 0.000 1.207 494 I CA 0.336 61.457 61.300 -0.297 0.000 1.449 494 I CB 0.125 37.851 38.000 -0.456 0.000 1.121 494 I HN 0.331 nan 8.210 nan 0.000 0.442 495 I N 1.965 122.396 120.570 -0.231 0.000 2.534 495 I HA 0.322 4.493 4.170 0.001 0.000 0.288 495 I C -1.541 174.509 176.117 -0.113 0.000 1.077 495 I CA -0.569 60.655 61.300 -0.127 0.000 1.051 495 I CB 2.249 40.217 38.000 -0.054 0.000 1.234 495 I HN -0.029 nan 8.210 nan 0.000 0.425 496 D N 6.534 126.886 120.400 -0.081 0.000 2.427 496 D HA 0.203 4.843 4.640 0.001 0.000 0.226 496 D C -0.360 175.908 176.300 -0.053 0.000 1.076 496 D CA -0.140 53.822 54.000 -0.063 0.000 0.849 496 D CB 1.293 42.095 40.800 0.003 0.000 1.052 496 D HN 0.385 nan 8.370 nan 0.000 0.515 497 Q N 3.347 123.095 119.800 -0.086 0.000 2.263 497 Q HA 0.117 4.457 4.340 0.001 0.000 0.337 497 Q C 0.476 176.387 176.000 -0.149 0.000 0.906 497 Q CA -0.090 55.656 55.803 -0.095 0.000 1.124 497 Q CB 1.207 29.893 28.738 -0.086 0.000 1.255 497 Q HN 0.542 nan 8.270 nan 0.000 0.435 498 K N -0.638 119.648 120.400 -0.191 0.000 2.380 498 K HA 0.093 4.414 4.320 0.001 0.000 0.200 498 K C -0.262 176.095 176.600 -0.405 0.000 1.201 498 K CA 0.239 56.321 56.287 -0.341 0.000 0.916 498 K CB 0.617 32.848 32.500 -0.448 0.000 1.187 498 K HN 0.226 nan 8.250 nan 0.000 0.498 499 H N 0.582 119.611 119.070 -0.068 0.000 2.458 499 H HA 0.281 4.838 4.556 0.002 0.000 0.330 499 H C -0.765 174.534 175.328 -0.049 0.000 1.111 499 H CA -0.038 55.978 56.048 -0.053 0.000 1.245 499 H CB 1.127 30.862 29.762 -0.046 0.000 1.456 499 H HN 0.242 nan 8.280 nan 0.000 0.488 500 N N 1.667 120.408 118.700 0.068 0.000 2.740 500 N HA -0.247 4.493 4.740 0.001 0.000 0.248 500 N C -0.817 174.692 175.510 -0.001 0.000 1.062 500 N CA -0.006 53.062 53.050 0.030 0.000 0.704 500 N CB -0.724 37.784 38.487 0.035 0.000 0.968 500 N HN 0.649 nan 8.380 nan 0.000 0.547 501 Q N 0.628 120.411 119.800 -0.029 0.000 2.315 501 Q HA 0.068 4.409 4.340 0.001 0.000 0.289 501 Q C -0.066 175.917 176.000 -0.029 0.000 1.044 501 Q CA 0.763 56.539 55.803 -0.046 0.000 0.920 501 Q CB 0.592 29.277 28.738 -0.088 0.000 1.214 501 Q HN 0.309 nan 8.270 nan 0.000 0.392 502 E N 1.892 122.079 120.200 -0.022 0.000 2.199 502 E HA 0.266 4.617 4.350 0.001 0.000 0.269 502 E C -0.717 175.881 176.600 -0.004 0.000 0.899 502 E CA -0.866 55.528 56.400 -0.009 0.000 0.772 502 E CB 1.524 31.222 29.700 -0.003 0.000 1.155 502 E HN 0.243 nan 8.360 nan 0.000 0.408 503 R N 1.335 121.838 120.500 0.004 0.000 2.537 503 R HA 0.316 4.657 4.340 0.001 0.000 0.280 503 R C 0.038 176.352 176.300 0.023 0.000 1.058 503 R CA 0.320 56.432 56.100 0.019 0.000 1.057 503 R CB 1.057 31.373 30.300 0.027 0.000 0.973 503 R HN 0.768 nan 8.270 nan 0.000 0.438 504 G N -0.084 108.742 108.800 0.043 0.000 2.976 504 G HA2 0.117 4.078 3.960 0.001 0.000 0.276 504 G HA3 0.117 4.078 3.960 0.001 0.000 0.276 504 G C 0.147 175.062 174.900 0.024 0.000 1.207 504 G CA -0.369 44.744 45.100 0.021 0.000 0.803 504 G HN 0.452 nan 8.290 nan 0.000 0.572 505 S N -0.634 115.054 115.700 -0.021 0.000 2.461 505 S HA 0.134 4.605 4.470 0.001 0.000 0.228 505 S C 0.731 175.441 174.600 0.183 0.000 1.005 505 S CA 0.073 58.225 58.200 -0.079 0.000 0.942 505 S CB -0.205 62.870 63.200 -0.209 0.000 0.776 505 S HN 0.347 nan 8.310 nan 0.000 0.514 506 F N 1.990 121.979 119.950 0.066 0.000 2.563 506 F HA 0.137 4.665 4.527 0.001 0.000 0.363 506 F C 0.980 176.888 175.800 0.180 0.000 1.123 506 F CA -0.774 57.284 58.000 0.097 0.000 1.307 506 F CB 0.062 39.109 39.000 0.079 0.000 1.115 506 F HN 0.201 nan 8.300 nan 0.000 0.592 507 C N 7.427 126.333 119.300 -0.657 0.000 4.058 507 C HA -0.249 4.212 4.460 0.001 0.000 0.307 507 C C 0.415 175.523 174.990 0.196 0.000 1.247 507 C CA 0.305 59.110 59.018 -0.355 0.000 2.165 507 C CB -3.100 24.500 27.740 -0.233 0.000 1.350 507 C HN 1.096 nan 8.230 nan 0.000 0.648 508 F N -1.223 118.724 119.950 -0.006 0.000 3.043 508 F HA -0.182 4.346 4.527 0.001 0.000 0.290 508 F C 1.478 177.427 175.800 0.249 0.000 0.844 508 F CA 1.926 59.970 58.000 0.075 0.000 1.184 508 F CB -1.541 37.473 39.000 0.024 0.000 1.246 508 F HN 1.800 nan 8.300 nan 0.000 0.536 509 G N -0.885 108.198 108.800 0.472 0.000 2.155 509 G HA2 -0.091 3.870 3.960 0.001 0.000 0.257 509 G HA3 -0.091 3.870 3.960 0.001 0.000 0.257 509 G C 0.874 175.931 174.900 0.263 0.000 0.983 509 G CA 0.523 45.831 45.100 0.347 0.000 0.676 509 G HN 1.570 nan 8.290 nan 0.000 0.528 510 A N -0.578 122.430 122.820 0.313 0.000 2.267 510 A HA 0.693 5.014 4.320 0.001 0.000 0.213 510 A C 1.703 179.487 177.584 0.334 0.000 1.192 510 A CA 1.574 53.810 52.037 0.332 0.000 0.851 510 A CB 0.040 19.307 19.000 0.444 0.000 0.881 510 A HN 1.543 nan 8.150 nan 0.000 0.494 511 G N -0.500 108.513 108.800 0.354 0.000 2.695 511 G HA2 0.444 4.405 3.960 0.001 0.000 0.213 511 G HA3 0.444 4.405 3.960 0.001 0.000 0.213 511 G C 0.365 175.371 174.900 0.176 0.000 1.406 511 G CA 0.456 45.748 45.100 0.320 0.000 1.049 511 G HN 0.480 nan 8.290 nan 0.000 0.573 512 T N -1.722 112.928 114.554 0.159 0.000 2.881 512 T HA 0.524 4.874 4.350 0.001 0.000 0.278 512 T C 0.216 174.957 174.700 0.067 0.000 0.982 512 T CA -0.567 61.567 62.100 0.056 0.000 0.989 512 T CB 1.483 70.347 68.868 -0.007 0.000 1.058 512 T HN 0.388 nan 8.240 nan 0.000 0.529 513 K N 0.392 120.807 120.400 0.025 0.000 2.156 513 K HA 0.168 4.488 4.320 0.001 0.000 0.242 513 K C 0.385 176.980 176.600 -0.008 0.000 1.033 513 K CA -0.403 55.892 56.287 0.014 0.000 0.878 513 K CB 0.319 32.821 32.500 0.004 0.000 1.057 513 K HN 0.714 nan 8.250 nan 0.000 0.505 514 E N 1.293 121.487 120.200 -0.011 0.000 2.259 514 E HA 0.047 4.398 4.350 0.001 0.000 0.281 514 E C -0.830 175.763 176.600 -0.013 0.000 1.037 514 E CA -0.247 56.138 56.400 -0.026 0.000 0.854 514 E CB 0.689 30.382 29.700 -0.012 0.000 1.051 514 E HN 0.243 nan 8.360 nan 0.000 0.409 515 R N 2.063 122.553 120.500 -0.017 0.000 2.664 515 R HA 0.432 4.773 4.340 0.001 0.000 0.286 515 R C -0.577 175.728 176.300 0.009 0.000 0.967 515 R CA -0.507 55.589 56.100 -0.006 0.000 0.933 515 R CB 1.959 32.251 30.300 -0.014 0.000 1.146 515 R HN 0.625 nan 8.270 nan 0.000 0.468 516 T N -1.010 113.550 114.554 0.011 0.000 2.883 516 T HA 0.598 4.949 4.350 0.001 0.000 0.296 516 T C -1.030 173.675 174.700 0.009 0.000 1.117 516 T CA -1.067 61.048 62.100 0.024 0.000 1.006 516 T CB 2.171 71.057 68.868 0.030 0.000 1.191 516 T HN 0.307 nan 8.240 nan 0.000 0.508 517 K N 0.791 121.205 120.400 0.023 0.000 2.601 517 K HA 0.456 4.776 4.320 0.001 0.000 0.249 517 K C -1.224 175.425 176.600 0.083 0.000 0.966 517 K CA -0.583 55.712 56.287 0.013 0.000 0.827 517 K CB 1.695 34.153 32.500 -0.069 0.000 1.178 517 K HN 0.755 nan 8.250 nan 0.000 0.437 518 K N 5.091 125.527 120.400 0.059 0.000 2.248 518 K HA 0.435 4.756 4.320 0.001 0.000 0.281 518 K C -1.090 175.561 176.600 0.086 0.000 1.054 518 K CA -0.348 55.983 56.287 0.074 0.000 0.903 518 K CB 0.430 32.955 32.500 0.042 0.000 1.077 518 K HN 0.539 nan 8.250 nan 0.000 0.474 519 L N 3.160 124.465 121.223 0.137 0.000 2.370 519 L HA 0.365 4.706 4.340 0.001 0.000 0.266 519 L C -0.325 176.624 176.870 0.133 0.000 1.002 519 L CA -1.053 53.858 54.840 0.118 0.000 0.818 519 L CB 2.388 44.516 42.059 0.115 0.000 1.325 519 L HN 0.620 nan 8.230 nan 0.000 0.418 520 T N 3.369 117.986 114.554 0.104 0.000 2.779 520 T HA 0.458 4.809 4.350 0.001 0.000 0.296 520 T C -0.261 174.517 174.700 0.130 0.000 0.938 520 T CA -0.147 62.025 62.100 0.119 0.000 1.119 520 T CB 0.360 69.283 68.868 0.091 0.000 0.891 520 T HN 0.076 nan 8.240 nan 0.000 0.526 521 L N 3.263 124.586 121.223 0.166 0.000 2.319 521 L HA 0.667 5.008 4.340 0.001 0.000 0.267 521 L C -0.066 176.924 176.870 0.199 0.000 1.011 521 L CA -0.868 54.043 54.840 0.118 0.000 0.818 521 L CB 1.915 43.922 42.059 -0.086 0.000 1.316 521 L HN 0.369 nan 8.230 nan 0.000 0.432 522 K N 1.286 121.848 120.400 0.271 0.000 2.323 522 K HA 0.369 4.690 4.320 0.001 0.000 0.259 522 K C -0.744 175.972 176.600 0.193 0.000 0.947 522 K CA -0.619 55.798 56.287 0.217 0.000 0.819 522 K CB 1.161 33.778 32.500 0.196 0.000 1.109 522 K HN 0.378 nan 8.250 nan 0.000 0.429 523 K N 1.624 122.104 120.400 0.134 0.000 2.586 523 K HA -0.039 4.282 4.320 0.001 0.000 0.280 523 K C 0.883 177.518 176.600 0.059 0.000 0.972 523 K CA 1.779 58.121 56.287 0.091 0.000 1.040 523 K CB 0.061 32.609 32.500 0.079 0.000 0.870 523 K HN 0.765 nan 8.250 nan 0.000 0.497 524 G N 2.105 110.919 108.800 0.024 0.000 2.343 524 G HA2 -0.418 3.543 3.960 0.001 0.000 0.264 524 G HA3 -0.418 3.543 3.960 0.001 0.000 0.264 524 G C 0.190 175.081 174.900 -0.015 0.000 0.989 524 G CA 0.894 45.993 45.100 -0.002 0.000 0.627 524 G HN 0.718 nan 8.290 nan 0.000 0.549 525 Q N 0.480 120.280 119.800 -0.000 0.000 2.330 525 Q HA 0.412 4.753 4.340 0.001 0.000 0.279 525 Q C 0.119 176.012 176.000 -0.179 0.000 1.024 525 Q CA -0.215 55.517 55.803 -0.119 0.000 0.900 525 Q CB 0.697 29.325 28.738 -0.182 0.000 1.221 525 Q HN 0.246 nan 8.270 nan 0.000 0.396 526 V N 5.580 125.342 119.914 -0.254 0.000 2.432 526 V HA 0.224 4.345 4.120 0.001 0.000 0.275 526 V C -0.875 175.063 176.094 -0.259 0.000 1.043 526 V CA -0.224 61.994 62.300 -0.137 0.000 0.925 526 V CB 0.282 32.060 31.823 -0.074 0.000 0.985 526 V HN 0.640 nan 8.190 nan 0.000 0.466 527 Y N 2.764 123.108 120.300 0.073 0.000 2.393 527 Y HA 0.467 5.017 4.550 0.001 0.000 0.341 527 Y C 0.475 176.450 175.900 0.126 0.000 0.988 527 Y CA -1.017 57.146 58.100 0.106 0.000 1.078 527 Y CB 1.529 40.086 38.460 0.163 0.000 1.203 527 Y HN 0.490 nan 8.280 nan 0.000 0.453 528 N N 2.510 121.347 118.700 0.228 0.000 2.420 528 N HA 0.267 5.008 4.740 0.001 0.000 0.249 528 N C -0.983 174.651 175.510 0.206 0.000 1.033 528 N CA -0.277 52.878 53.050 0.176 0.000 0.944 528 N CB 1.344 39.893 38.487 0.104 0.000 1.113 528 N HN 0.457 nan 8.380 nan 0.000 0.502 529 V N 1.016 121.071 119.914 0.235 0.000 2.432 529 V HA 0.607 4.728 4.120 0.001 0.000 0.275 529 V C 0.322 176.530 176.094 0.189 0.000 1.043 529 V CA -0.818 61.650 62.300 0.279 0.000 0.925 529 V CB 1.169 33.193 31.823 0.335 0.000 0.985 529 V HN 0.582 nan 8.190 nan 0.000 0.466 530 R N 3.431 124.063 120.500 0.220 0.000 2.574 530 R HA 0.767 5.107 4.340 0.001 0.000 0.288 530 R C -2.080 174.280 176.300 0.099 0.000 1.004 530 R CA -0.553 55.626 56.100 0.133 0.000 0.895 530 R CB 2.438 32.811 30.300 0.121 0.000 1.191 530 R HN 0.695 nan 8.270 nan 0.000 0.444 531 V N 4.058 123.937 119.914 -0.058 0.000 2.448 531 V HA 0.375 4.496 4.120 0.001 0.000 0.295 531 V C -0.528 175.503 176.094 -0.104 0.000 1.025 531 V CA -0.829 61.379 62.300 -0.153 0.000 0.859 531 V CB 1.733 33.345 31.823 -0.352 0.000 0.988 531 V HN 0.727 nan 8.190 nan 0.000 0.431 532 E N 3.809 123.988 120.200 -0.035 0.000 2.156 532 E HA 0.415 4.766 4.350 0.001 0.000 0.279 532 E C -1.421 175.083 176.600 -0.161 0.000 0.965 532 E CA -0.434 55.929 56.400 -0.060 0.000 0.789 532 E CB 2.560 32.283 29.700 0.039 0.000 1.098 532 E HN 0.657 nan 8.360 nan 0.000 0.397 533 Y N 0.513 120.597 120.300 -0.360 0.000 2.442 533 Y HA 0.567 5.118 4.550 0.001 0.000 0.344 533 Y C -0.388 175.371 175.900 -0.234 0.000 0.976 533 Y CA -0.721 57.087 58.100 -0.487 0.000 1.040 533 Y CB 1.974 39.794 38.460 -1.066 0.000 1.228 533 Y HN 0.511 nan 8.280 nan 0.000 0.451 534 G N 3.108 111.300 108.800 -1.013 0.000 2.416 534 G HA2 0.485 4.446 3.960 0.001 0.000 0.329 534 G HA3 0.485 4.446 3.960 0.001 0.000 0.329 534 G C -0.905 172.968 174.900 -1.711 0.000 1.173 534 G CA -0.594 43.843 45.100 -1.106 0.000 0.929 534 G HN 0.871 nan 8.290 nan 0.000 0.475 535 S N 0.928 115.745 115.700 -1.472 0.000 2.617 535 S HA 0.420 4.890 4.470 0.001 0.000 0.259 535 S C 1.940 176.200 174.600 -0.566 0.000 1.301 535 S CA 0.219 57.841 58.200 -0.963 0.000 0.984 535 S CB 0.897 63.395 63.200 -1.169 0.000 0.954 535 S HN 1.149 nan 8.310 nan 0.000 0.572 536 G N 1.233 109.936 108.800 -0.161 0.000 2.574 536 G HA2 -0.187 3.774 3.960 0.001 0.000 0.220 536 G HA3 -0.187 3.774 3.960 0.001 0.000 0.220 536 G C -1.089 173.742 174.900 -0.115 0.000 1.173 536 G CA 1.143 46.197 45.100 -0.077 0.000 0.772 536 G HN 0.674 nan 8.290 nan 0.000 0.585 537 P HA 0.009 nan 4.420 nan 0.000 0.233 537 P C 2.093 179.409 177.300 0.027 0.000 1.167 537 P CA 1.777 64.980 63.100 0.171 0.000 0.770 537 P CB -0.091 31.759 31.700 0.251 0.000 0.837 538 T N -3.225 111.100 114.554 -0.382 0.000 2.732 538 T HA -0.074 4.277 4.350 0.001 0.000 0.261 538 T C 1.180 175.776 174.700 -0.172 0.000 1.040 538 T CA 0.743 62.539 62.100 -0.507 0.000 1.145 538 T CB -1.351 66.975 68.868 -0.903 0.000 0.866 538 T HN 0.176 nan 8.240 nan 0.000 0.427 539 S N 1.475 117.020 115.700 -0.258 0.000 2.546 539 S HA 0.373 4.844 4.470 0.001 0.000 0.290 539 S C 0.815 175.371 174.600 -0.073 0.000 1.290 539 S CA -0.395 57.681 58.200 -0.207 0.000 1.069 539 S CB 0.468 63.464 63.200 -0.341 0.000 0.846 539 S HN 0.723 nan 8.310 nan 0.000 0.495 540 G N 4.249 113.030 108.800 -0.033 0.000 3.213 540 G HA2 0.395 4.355 3.960 0.001 0.000 0.263 540 G HA3 0.395 4.355 3.960 0.001 0.000 0.263 540 G C -0.339 174.588 174.900 0.044 0.000 0.829 540 G CA -0.495 44.627 45.100 0.036 0.000 1.983 540 G HN 0.663 nan 8.290 nan 0.000 0.616 541 L N 1.973 123.259 121.223 0.104 0.000 2.322 541 L HA 0.362 4.703 4.340 0.001 0.000 0.281 541 L C 0.498 177.563 176.870 0.324 0.000 1.014 541 L CA -0.680 54.254 54.840 0.156 0.000 0.815 541 L CB 1.792 43.877 42.059 0.043 0.000 1.247 541 L HN 0.133 nan 8.230 nan 0.000 0.421 542 V N 4.804 124.812 119.914 0.156 0.000 2.599 542 V HA 0.655 4.776 4.120 0.001 0.000 0.300 542 V C 0.401 176.415 176.094 -0.132 0.000 1.034 542 V CA 1.013 63.335 62.300 0.038 0.000 1.115 542 V CB 0.355 32.180 31.823 0.003 0.000 0.934 542 V HN 1.052 nan 8.190 nan 0.000 0.485 543 G N 4.356 112.958 108.800 -0.329 0.000 2.353 543 G HA2 0.112 4.072 3.960 0.001 0.000 0.424 543 G HA3 0.112 4.072 3.960 0.001 0.000 0.424 543 G C -1.013 173.387 174.900 -0.834 0.000 1.320 543 G CA -0.212 44.530 45.100 -0.597 0.000 0.995 543 G HN 1.362 nan 8.290 nan 0.000 0.580 544 E N -0.246 119.554 120.200 -0.667 0.000 2.130 544 E HA 0.662 5.013 4.350 0.001 0.000 0.284 544 E C -0.705 175.611 176.600 -0.473 0.000 1.018 544 E CA -0.394 55.734 56.400 -0.453 0.000 0.817 544 E CB 0.219 29.762 29.700 -0.261 0.000 1.078 544 E HN 0.380 nan 8.360 nan 0.000 0.396 545 F N 2.392 122.356 119.950 0.023 0.000 2.492 545 F HA 0.591 5.119 4.527 0.001 0.000 0.327 545 F C 1.237 177.098 175.800 0.102 0.000 1.079 545 F CA -0.901 57.169 58.000 0.115 0.000 0.967 545 F CB 1.917 41.006 39.000 0.148 0.000 1.169 545 F HN 0.565 nan 8.300 nan 0.000 0.472 546 G N 0.298 109.291 108.800 0.321 0.000 2.588 546 G HA2 0.389 4.350 3.960 0.001 0.000 0.278 546 G HA3 0.389 4.350 3.960 0.001 0.000 0.278 546 G C 0.777 175.800 174.900 0.204 0.000 1.307 546 G CA -0.098 45.106 45.100 0.173 0.000 1.016 546 G HN 0.848 nan 8.290 nan 0.000 0.503 547 A N -1.262 121.676 122.820 0.197 0.000 1.933 547 A HA 0.412 4.733 4.320 0.001 0.000 0.218 547 A C 1.921 179.588 177.584 0.138 0.000 1.175 547 A CA 2.213 54.379 52.037 0.215 0.000 0.628 547 A CB -1.063 18.197 19.000 0.432 0.000 0.814 547 A HN 2.571 nan 8.150 nan 0.000 0.444 548 G N -2.494 106.295 108.800 -0.018 0.000 2.503 548 G HA2 0.416 4.377 3.960 0.001 0.000 0.235 548 G HA3 0.416 4.377 3.960 0.001 0.000 0.235 548 G C 0.588 175.477 174.900 -0.019 0.000 1.179 548 G CA 0.067 45.092 45.100 -0.125 0.000 0.944 548 G HN 2.322 nan 8.290 nan 0.000 0.580 549 G N -1.887 107.043 108.800 0.217 0.000 2.322 549 G HA2 0.787 4.747 3.960 0.001 0.000 0.295 549 G HA3 0.787 4.747 3.960 0.001 0.000 0.295 549 G C -1.034 174.082 174.900 0.359 0.000 1.369 549 G CA 0.277 45.434 45.100 0.095 0.000 0.821 549 G HN 2.312 nan 8.290 nan 0.000 0.536 550 F N -1.809 118.142 119.950 0.002 0.000 2.678 550 F HA 0.857 5.384 4.527 0.001 0.000 0.308 550 F C -1.115 174.609 175.800 -0.127 0.000 1.118 550 F CA -1.102 56.801 58.000 -0.160 0.000 0.959 550 F CB 2.182 40.916 39.000 -0.442 0.000 1.305 550 F HN 0.668 nan 8.300 nan 0.000 0.443 551 Q N 2.526 122.151 119.800 -0.292 0.000 2.290 551 Q HA 0.766 5.107 4.340 0.001 0.000 0.269 551 Q C -1.798 174.130 176.000 -0.120 0.000 1.016 551 Q CA -0.885 54.785 55.803 -0.223 0.000 0.754 551 Q CB 2.101 30.738 28.738 -0.168 0.000 1.247 551 Q HN 1.149 nan 8.270 nan 0.000 0.451 552 A N 2.575 125.358 122.820 -0.061 0.000 2.292 552 A HA 0.907 5.227 4.320 0.001 0.000 0.319 552 A C -0.234 177.348 177.584 -0.003 0.000 1.206 552 A CA 0.052 52.050 52.037 -0.066 0.000 0.835 552 A CB 1.349 20.148 19.000 -0.335 0.000 1.164 552 A HN 0.761 nan 8.150 nan 0.000 0.505 553 G N -0.584 108.279 108.800 0.106 0.000 2.642 553 G HA2 0.640 4.601 3.960 0.001 0.000 0.293 553 G HA3 0.640 4.601 3.960 0.001 0.000 0.293 553 G C -1.632 173.295 174.900 0.045 0.000 1.341 553 G CA -0.470 44.649 45.100 0.032 0.000 0.916 553 G HN 1.520 nan 8.290 nan 0.000 0.474 554 V N 1.042 120.874 119.914 -0.137 0.000 2.888 554 V HA 0.834 4.955 4.120 0.001 0.000 0.309 554 V C -1.393 174.544 176.094 -0.262 0.000 1.114 554 V CA -0.818 61.270 62.300 -0.353 0.000 0.940 554 V CB 1.810 33.180 31.823 -0.756 0.000 1.021 554 V HN 0.865 nan 8.190 nan 0.000 0.426 555 I N 4.015 124.438 120.570 -0.244 0.000 2.802 555 I HA 0.535 4.706 4.170 0.001 0.000 0.298 555 I C -0.877 175.140 176.117 -0.167 0.000 1.176 555 I CA -1.028 60.158 61.300 -0.190 0.000 1.025 555 I CB 2.180 39.977 38.000 -0.339 0.000 1.243 555 I HN 0.780 nan 8.210 nan 0.000 0.424 556 K N 5.923 126.208 120.400 -0.190 0.000 2.378 556 K HA 0.505 4.826 4.320 0.001 0.000 0.288 556 K C -0.214 176.265 176.600 -0.201 0.000 1.057 556 K CA 0.028 56.012 56.287 -0.505 0.000 0.971 556 K CB 0.944 33.249 32.500 -0.324 0.000 0.975 556 K HN 0.576 nan 8.250 nan 0.000 0.475 557 A N 4.964 127.635 122.820 -0.249 0.000 2.507 557 A HA 0.381 4.702 4.320 0.001 0.000 0.235 557 A C 0.221 177.787 177.584 -0.030 0.000 1.070 557 A CA 0.080 52.083 52.037 -0.056 0.000 0.768 557 A CB -0.419 18.538 19.000 -0.071 0.000 1.011 557 A HN 0.888 nan 8.150 nan 0.000 0.502 558 I N -2.075 118.503 120.570 0.013 0.000 3.145 558 I HA 0.513 4.684 4.170 0.001 0.000 0.313 558 I C -0.764 175.318 176.117 -0.059 0.000 1.122 558 I CA -1.050 60.212 61.300 -0.063 0.000 0.987 558 I CB 2.078 39.977 38.000 -0.168 0.000 1.236 558 I HN 0.422 nan 8.210 nan 0.000 0.453 559 D N 2.268 122.627 120.400 -0.069 0.000 2.402 559 D HA 0.131 4.772 4.640 0.001 0.000 0.235 559 D C 0.301 176.553 176.300 -0.080 0.000 1.226 559 D CA 0.297 54.263 54.000 -0.056 0.000 0.918 559 D CB 0.927 41.700 40.800 -0.046 0.000 1.043 559 D HN 0.597 nan 8.370 nan 0.000 0.506 560 D N 2.045 122.403 120.400 -0.071 0.000 2.104 560 D HA -0.174 4.467 4.640 0.001 0.000 0.194 560 D C 1.240 177.497 176.300 -0.072 0.000 0.994 560 D CA 1.102 55.050 54.000 -0.086 0.000 0.830 560 D CB 0.312 41.083 40.800 -0.048 0.000 0.959 560 D HN 0.429 nan 8.370 nan 0.000 0.452 561 D N 0.191 120.564 120.400 -0.046 0.000 2.103 561 D HA -0.190 4.450 4.640 0.001 0.000 0.190 561 D C 1.991 178.262 176.300 -0.048 0.000 0.997 561 D CA 1.115 55.092 54.000 -0.039 0.000 0.833 561 D CB -0.475 40.310 40.800 -0.025 0.000 0.961 561 D HN 0.170 nan 8.370 nan 0.000 0.447 562 E N 1.041 121.212 120.200 -0.049 0.000 2.097 562 E HA -0.253 4.098 4.350 0.001 0.000 0.196 562 E C 1.829 178.387 176.600 -0.070 0.000 1.000 562 E CA 1.758 58.127 56.400 -0.052 0.000 0.804 562 E CB -0.232 29.440 29.700 -0.047 0.000 0.740 562 E HN 0.134 nan 8.360 nan 0.000 0.454 563 E N 0.009 120.153 120.200 -0.094 0.000 2.153 563 E HA -0.104 4.247 4.350 0.001 0.000 0.194 563 E C 1.978 178.512 176.600 -0.111 0.000 0.988 563 E CA 1.335 57.662 56.400 -0.121 0.000 0.811 563 E CB -0.372 29.221 29.700 -0.179 0.000 0.746 563 E HN 0.513 nan 8.360 nan 0.000 0.466 564 I N 0.083 120.598 120.570 -0.091 0.000 2.252 564 I HA -0.244 3.927 4.170 0.001 0.000 0.245 564 I C 2.483 178.559 176.117 -0.067 0.000 1.102 564 I CA 1.051 62.304 61.300 -0.078 0.000 1.385 564 I CB -0.202 37.762 38.000 -0.060 0.000 1.064 564 I HN 0.072 nan 8.210 nan 0.000 0.414 565 R N 0.380 120.847 120.500 -0.056 0.000 2.083 565 R HA -0.216 4.125 4.340 0.001 0.000 0.237 565 R C 2.154 178.425 176.300 -0.048 0.000 1.137 565 R CA 1.952 58.025 56.100 -0.045 0.000 0.951 565 R CB -0.693 29.585 30.300 -0.036 0.000 0.851 565 R HN 0.322 nan 8.270 nan 0.000 0.434 566 N N 0.733 119.399 118.700 -0.057 0.000 2.069 566 N HA -0.169 4.572 4.740 0.001 0.000 0.191 566 N C 1.656 177.129 175.510 -0.063 0.000 1.031 566 N CA 1.810 54.826 53.050 -0.057 0.000 0.852 566 N CB -0.201 38.245 38.487 -0.068 0.000 1.018 566 N HN 0.248 nan 8.380 nan 0.000 0.423 567 A N 0.319 123.088 122.820 -0.085 0.000 1.883 567 A HA -0.029 4.292 4.320 0.001 0.000 0.217 567 A C 2.378 179.921 177.584 -0.069 0.000 1.186 567 A CA 2.221 54.200 52.037 -0.097 0.000 0.624 567 A CB -1.393 17.537 19.000 -0.116 0.000 0.822 567 A HN 0.458 nan 8.150 nan 0.000 0.444 568 A N -0.284 122.500 122.820 -0.061 0.000 1.902 568 A HA -0.176 4.145 4.320 0.001 0.000 0.217 568 A C 1.907 179.475 177.584 -0.027 0.000 1.181 568 A CA 1.729 53.738 52.037 -0.047 0.000 0.623 568 A CB -0.579 18.394 19.000 -0.046 0.000 0.818 568 A HN 0.656 nan 8.150 nan 0.000 0.443 569 E N -0.064 120.122 120.200 -0.023 0.000 2.077 569 E HA -0.145 4.206 4.350 0.001 0.000 0.193 569 E C 1.901 178.509 176.600 0.012 0.000 0.989 569 E CA 1.250 57.644 56.400 -0.010 0.000 0.800 569 E CB -0.321 29.371 29.700 -0.014 0.000 0.746 569 E HN 0.626 nan 8.360 nan 0.000 0.452 570 L N 0.496 121.733 121.223 0.022 0.000 2.141 570 L HA -0.123 4.217 4.340 0.001 0.000 0.209 570 L C 2.516 179.491 176.870 0.176 0.000 1.094 570 L CA 0.767 55.663 54.840 0.094 0.000 0.763 570 L CB -0.400 41.699 42.059 0.067 0.000 0.908 570 L HN 0.151 nan 8.230 nan 0.000 0.437 571 A N 0.130 122.990 122.820 0.066 0.000 1.930 571 A HA -0.079 4.242 4.320 0.001 0.000 0.217 571 A C 2.545 180.170 177.584 0.069 0.000 1.175 571 A CA 1.430 53.499 52.037 0.053 0.000 0.627 571 A CB -0.558 18.429 19.000 -0.021 0.000 0.815 571 A HN 0.363 nan 8.150 nan 0.000 0.443 572 A N -0.062 122.779 122.820 0.035 0.000 1.972 572 A HA -0.130 4.191 4.320 0.001 0.000 0.219 572 A C 1.968 179.558 177.584 0.011 0.000 1.169 572 A CA 1.659 53.705 52.037 0.015 0.000 0.635 572 A CB -0.352 18.647 19.000 -0.002 0.000 0.810 572 A HN 0.527 nan 8.150 nan 0.000 0.446 573 K N -0.897 119.510 120.400 0.012 0.000 2.487 573 K HA 0.077 4.398 4.320 0.001 0.000 0.192 573 K C -0.362 176.114 176.600 -0.206 0.000 1.027 573 K CA 0.148 56.384 56.287 -0.085 0.000 1.054 573 K CB -0.004 32.425 32.500 -0.118 0.000 0.824 573 K HN 0.641 nan 8.250 nan 0.000 0.510 574 H N -0.359 118.705 119.070 -0.010 0.000 2.616 574 H HA 0.112 4.669 4.556 0.002 0.000 0.353 574 H C 0.495 175.818 175.328 -0.008 0.000 1.170 574 H CA -0.661 55.385 56.048 -0.003 0.000 1.212 574 H CB 1.470 31.234 29.762 0.002 0.000 1.653 574 H HN -0.110 nan 8.280 nan 0.000 0.537 575 D N 0.984 121.451 120.400 0.112 0.000 2.117 575 D HA -0.068 4.573 4.640 0.001 0.000 0.197 575 D C -0.144 176.182 176.300 0.044 0.000 0.987 575 D CA 1.583 55.615 54.000 0.053 0.000 0.829 575 D CB 0.338 41.161 40.800 0.038 0.000 0.961 575 D HN 0.351 nan 8.370 nan 0.000 0.460 576 K N -0.770 119.664 120.400 0.057 0.000 2.502 576 K HA 0.684 5.005 4.320 0.001 0.000 0.257 576 K C -1.271 175.330 176.600 0.001 0.000 0.938 576 K CA -0.644 55.650 56.287 0.010 0.000 0.819 576 K CB 3.140 35.630 32.500 -0.017 0.000 1.333 576 K HN -0.061 nan 8.250 nan 0.000 0.434 577 A N 1.409 124.209 122.820 -0.033 0.000 2.355 577 A HA 0.682 5.003 4.320 0.001 0.000 0.324 577 A C -1.040 176.508 177.584 -0.060 0.000 1.117 577 A CA -0.681 51.320 52.037 -0.060 0.000 0.785 577 A CB 1.237 20.194 19.000 -0.071 0.000 1.254 577 A HN 0.363 nan 8.150 nan 0.000 0.453 578 V N 3.085 122.972 119.914 -0.045 0.000 2.326 578 V HA 0.309 4.430 4.120 0.001 0.000 0.281 578 V C -0.835 175.246 176.094 -0.021 0.000 1.015 578 V CA -0.406 61.878 62.300 -0.027 0.000 0.823 578 V CB 0.921 32.751 31.823 0.012 0.000 1.009 578 V HN 0.739 nan 8.190 nan 0.000 0.436 579 L N 7.241 128.431 121.223 -0.055 0.000 2.264 579 L HA 0.591 4.932 4.340 0.001 0.000 0.289 579 L C -0.382 176.474 176.870 -0.023 0.000 1.044 579 L CA -0.043 54.761 54.840 -0.061 0.000 0.807 579 L CB 1.059 43.037 42.059 -0.135 0.000 1.192 579 L HN 0.403 nan 8.230 nan 0.000 0.425 580 I N 7.313 127.902 120.570 0.031 0.000 2.354 580 I HA 0.403 4.573 4.170 0.001 0.000 0.286 580 I C 0.144 176.320 176.117 0.098 0.000 1.007 580 I CA -0.321 61.022 61.300 0.073 0.000 1.167 580 I CB 0.866 38.937 38.000 0.117 0.000 1.320 580 I HN 0.624 nan 8.210 nan 0.000 0.458 581 I N 2.225 122.862 120.570 0.111 0.000 3.457 581 I HA 1.078 5.249 4.170 0.001 0.000 0.307 581 I C 0.319 176.556 176.117 0.200 0.000 1.138 581 I CA -0.760 60.632 61.300 0.153 0.000 0.974 581 I CB 2.384 40.480 38.000 0.159 0.000 1.324 581 I HN 0.627 nan 8.210 nan 0.000 0.485 582 G N 0.477 109.410 108.800 0.222 0.000 2.250 582 G HA2 0.115 4.076 3.960 0.001 0.000 0.252 582 G HA3 0.115 4.076 3.960 0.001 0.000 0.252 582 G C -1.268 173.764 174.900 0.220 0.000 1.325 582 G CA -0.538 44.705 45.100 0.238 0.000 1.091 582 G HN 0.719 nan 8.290 nan 0.000 0.476 583 L N 0.493 121.888 121.223 0.286 0.000 2.693 583 L HA 0.762 5.103 4.340 0.001 0.000 0.253 583 L C 0.635 177.808 176.870 0.505 0.000 1.155 583 L CA -0.522 54.536 54.840 0.364 0.000 1.026 583 L CB 1.477 43.742 42.059 0.343 0.000 1.817 583 L HN 1.066 nan 8.230 nan 0.000 0.556 584 N N -2.314 116.694 118.700 0.514 0.000 3.378 584 N HA 0.160 4.901 4.740 0.001 0.000 0.294 584 N C 0.007 175.471 175.510 -0.075 0.000 1.544 584 N CA -0.141 52.994 53.050 0.142 0.000 0.872 584 N CB 0.503 39.069 38.487 0.131 0.000 1.670 584 N HN 0.427 nan 8.380 nan 0.000 0.551 585 G N -1.380 107.238 108.800 -0.303 0.000 2.956 585 G HA2 0.027 3.988 3.960 0.001 0.000 0.207 585 G HA3 0.027 3.988 3.960 0.001 0.000 0.207 585 G C 0.337 175.077 174.900 -0.267 0.000 1.162 585 G CA 0.200 45.069 45.100 -0.386 0.000 0.796 585 G HN 0.624 nan 8.290 nan 0.000 0.527 586 E N -0.925 119.149 120.200 -0.209 0.000 2.290 586 E HA 0.026 4.377 4.350 0.001 0.000 0.197 586 E C 1.753 178.272 176.600 -0.134 0.000 0.948 586 E CA -0.246 56.021 56.400 -0.223 0.000 0.895 586 E CB 0.073 29.583 29.700 -0.316 0.000 0.865 586 E HN 0.634 nan 8.360 nan 0.000 0.486 587 W N 2.018 123.373 121.300 0.091 0.000 2.388 587 W HA -0.028 4.633 4.660 0.002 0.000 0.294 587 W C 0.790 177.387 176.519 0.130 0.000 1.212 587 W CA 0.299 57.734 57.345 0.151 0.000 1.271 587 W CB 0.339 29.880 29.460 0.135 0.000 1.126 587 W HN -0.149 nan 8.180 nan 0.000 0.535 588 E N 0.410 120.745 120.200 0.224 0.000 2.141 588 E HA 0.305 4.655 4.350 0.001 0.000 0.259 588 E C -0.641 175.919 176.600 -0.066 0.000 0.883 588 E CA -0.143 56.347 56.400 0.150 0.000 0.744 588 E CB 1.704 31.535 29.700 0.219 0.000 1.150 588 E HN -0.319 nan 8.360 nan 0.000 0.420 589 T N 1.503 116.020 114.554 -0.062 0.000 2.942 589 T HA 0.093 4.443 4.350 0.001 0.000 0.327 589 T C -1.082 173.573 174.700 -0.075 0.000 1.360 589 T CA -0.764 61.252 62.100 -0.141 0.000 1.055 589 T CB 1.457 70.078 68.868 -0.411 0.000 1.261 589 T HN 0.496 nan 8.240 nan 0.000 0.485 590 E N 1.409 121.665 120.200 0.093 0.000 2.653 590 E HA 0.277 4.628 4.350 0.001 0.000 0.264 590 E C 1.224 177.867 176.600 0.072 0.000 0.949 590 E CA 1.851 58.336 56.400 0.143 0.000 0.953 590 E CB -0.296 29.593 29.700 0.316 0.000 0.925 590 E HN 1.079 nan 8.360 nan 0.000 0.475 591 G N 3.025 111.915 108.800 0.151 0.000 2.436 591 G HA2 -0.239 3.722 3.960 0.001 0.000 0.204 591 G HA3 -0.239 3.722 3.960 0.001 0.000 0.204 591 G C -0.740 174.309 174.900 0.248 0.000 1.026 591 G CA 0.054 45.294 45.100 0.232 0.000 0.658 591 G HN 0.794 nan 8.290 nan 0.000 0.499 592 Y N -0.232 120.172 120.300 0.174 0.000 2.656 592 Y HA 0.767 5.318 4.550 0.002 0.000 0.334 592 Y C -1.206 174.797 175.900 0.172 0.000 1.179 592 Y CA -1.546 56.644 58.100 0.150 0.000 1.050 592 Y CB 0.461 39.000 38.460 0.132 0.000 1.308 592 Y HN -0.000 nan 8.280 nan 0.000 0.456 593 D N 0.911 121.549 120.400 0.397 0.000 2.332 593 D HA 0.364 5.005 4.640 0.001 0.000 0.252 593 D C -0.489 176.052 176.300 0.401 0.000 1.050 593 D CA -0.727 53.485 54.000 0.354 0.000 0.970 593 D CB 1.370 42.379 40.800 0.348 0.000 1.141 593 D HN 0.492 nan 8.370 nan 0.000 0.485 594 R N 0.627 121.330 120.500 0.337 0.000 2.643 594 R HA 0.047 4.388 4.340 0.001 0.000 0.270 594 R C 1.050 177.487 176.300 0.228 0.000 1.061 594 R CA 0.102 56.377 56.100 0.292 0.000 1.107 594 R CB 0.804 31.227 30.300 0.205 0.000 0.999 594 R HN 0.485 nan 8.270 nan 0.000 0.460 595 E N 0.906 121.221 120.200 0.192 0.000 2.230 595 E HA -0.095 4.256 4.350 0.001 0.000 0.192 595 E C -0.164 176.497 176.600 0.101 0.000 0.987 595 E CA 0.710 57.193 56.400 0.138 0.000 0.841 595 E CB 0.171 29.943 29.700 0.120 0.000 0.783 595 E HN 0.593 nan 8.360 nan 0.000 0.481 599 L N 1.612 122.784 121.223 -0.085 0.000 2.461 599 L HA 0.325 4.666 4.340 0.001 0.000 0.272 599 L C -1.899 174.876 176.870 -0.158 0.000 1.197 599 L CA -1.050 53.748 54.840 -0.070 0.000 0.836 599 L CB 0.073 42.203 42.059 0.118 0.000 1.105 599 L HN 0.133 nan 8.230 nan 0.000 0.477 600 P HA 0.275 nan 4.420 nan 0.000 0.281 600 P C -0.532 176.704 177.300 -0.107 0.000 1.249 600 P CA -0.565 62.315 63.100 -0.366 0.000 0.810 600 P CB 1.038 32.353 31.700 -0.642 0.000 1.008 601 K N 0.220 120.581 120.400 -0.065 0.000 1.779 601 K HA -0.279 4.041 4.320 0.001 0.000 0.128 601 K C 0.933 177.548 176.600 0.025 0.000 1.288 601 K CA 1.297 57.592 56.287 0.013 0.000 0.398 601 K CB -1.209 31.321 32.500 0.049 0.000 0.609 601 K HN 0.416 nan 8.250 nan 0.000 0.874 602 R N 1.293 121.815 120.500 0.038 0.000 2.391 602 R HA 0.102 4.443 4.340 0.001 0.000 0.249 602 R C 1.491 177.817 176.300 0.043 0.000 0.957 602 R CA 0.450 56.571 56.100 0.034 0.000 1.093 602 R CB 0.059 30.369 30.300 0.018 0.000 1.156 602 R HN 0.416 nan 8.270 nan 0.000 0.526 603 T N 1.226 115.817 114.554 0.061 0.000 2.665 603 T HA -0.163 4.187 4.350 0.001 0.000 0.268 603 T C 1.519 176.285 174.700 0.111 0.000 1.035 603 T CA 1.447 63.598 62.100 0.085 0.000 1.151 603 T CB -0.113 68.826 68.868 0.118 0.000 0.862 603 T HN 0.297 nan 8.240 nan 0.000 0.438 604 N N 0.618 119.424 118.700 0.177 0.000 2.188 604 N HA -0.053 4.688 4.740 0.001 0.000 0.184 604 N C 1.927 177.522 175.510 0.142 0.000 1.018 604 N CA 0.789 54.015 53.050 0.294 0.000 0.858 604 N CB -0.308 38.382 38.487 0.338 0.000 0.989 604 N HN 0.548 nan 8.380 nan 0.000 0.426 605 E N 0.553 120.804 120.200 0.084 0.000 2.058 605 E HA -0.185 4.166 4.350 0.001 0.000 0.194 605 E C 1.956 178.547 176.600 -0.015 0.000 0.997 605 E CA 0.776 57.198 56.400 0.037 0.000 0.801 605 E CB -0.052 29.664 29.700 0.026 0.000 0.746 605 E HN 0.125 nan 8.360 nan 0.000 0.450 606 L N 0.525 121.730 121.223 -0.030 0.000 2.012 606 L HA -0.182 4.158 4.340 0.001 0.000 0.210 606 L C 2.278 179.063 176.870 -0.141 0.000 1.073 606 L CA 1.550 56.346 54.840 -0.073 0.000 0.748 606 L CB -0.598 41.424 42.059 -0.062 0.000 0.891 606 L HN 0.002 nan 8.230 nan 0.000 0.431 607 V N 0.042 119.826 119.914 -0.216 0.000 2.343 607 V HA -0.285 3.835 4.120 0.001 0.000 0.247 607 V C 2.765 178.624 176.094 -0.392 0.000 1.051 607 V CA 2.202 64.227 62.300 -0.458 0.000 1.036 607 V CB -0.809 30.428 31.823 -0.977 0.000 0.654 607 V HN 0.462 nan 8.190 nan 0.000 0.451 608 R N -0.025 120.333 120.500 -0.238 0.000 2.081 608 R HA -0.131 4.210 4.340 0.001 0.000 0.235 608 R C 2.475 178.723 176.300 -0.087 0.000 1.131 608 R CA 1.501 57.540 56.100 -0.102 0.000 0.960 608 R CB -0.614 29.702 30.300 0.026 0.000 0.856 608 R HN 0.548 nan 8.270 nan 0.000 0.436 609 A N 0.582 123.353 122.820 -0.081 0.000 1.877 609 A HA -0.130 4.191 4.320 0.001 0.000 0.216 609 A C 2.344 179.878 177.584 -0.084 0.000 1.186 609 A CA 1.524 53.521 52.037 -0.067 0.000 0.620 609 A CB -0.573 18.391 19.000 -0.059 0.000 0.822 609 A HN 0.129 nan 8.150 nan 0.000 0.443 610 V N 0.161 120.003 119.914 -0.120 0.000 2.343 610 V HA -0.240 3.881 4.120 0.001 0.000 0.247 610 V C 2.544 178.566 176.094 -0.119 0.000 1.051 610 V CA 1.882 64.109 62.300 -0.122 0.000 1.036 610 V CB -0.783 30.950 31.823 -0.151 0.000 0.654 610 V HN 0.560 nan 8.190 nan 0.000 0.451 611 L N -0.259 120.873 121.223 -0.152 0.000 2.131 611 L HA -0.194 4.147 4.340 0.001 0.000 0.210 611 L C 2.546 179.377 176.870 -0.066 0.000 1.092 611 L CA 1.737 56.506 54.840 -0.119 0.000 0.759 611 L CB -0.601 41.376 42.059 -0.137 0.000 0.903 611 L HN 0.322 nan 8.230 nan 0.000 0.435 612 K N 0.591 120.958 120.400 -0.055 0.000 1.985 612 K HA -0.177 4.144 4.320 0.001 0.000 0.210 612 K C 2.196 178.778 176.600 -0.031 0.000 1.047 612 K CA 1.436 57.703 56.287 -0.032 0.000 0.932 612 K CB -0.160 32.325 32.500 -0.025 0.000 0.716 612 K HN 0.225 nan 8.250 nan 0.000 0.439 613 A N 0.781 123.579 122.820 -0.037 0.000 1.978 613 A HA -0.140 4.181 4.320 0.001 0.000 0.220 613 A C 0.794 178.363 177.584 -0.025 0.000 1.170 613 A CA 1.497 53.517 52.037 -0.029 0.000 0.636 613 A CB -0.221 18.761 19.000 -0.031 0.000 0.810 613 A HN 0.473 nan 8.150 nan 0.000 0.448 614 N N -2.120 116.560 118.700 -0.034 0.000 2.655 614 N HA 0.274 5.015 4.740 0.001 0.000 0.277 614 N C -2.976 172.510 175.510 -0.040 0.000 1.177 614 N CA -1.415 51.618 53.050 -0.028 0.000 0.882 614 N CB 1.487 39.963 38.487 -0.019 0.000 1.481 614 N HN -0.220 nan 8.380 nan 0.000 0.547 615 P HA 0.091 nan 4.420 nan 0.000 0.233 615 P C -0.327 176.951 177.300 -0.036 0.000 1.167 615 P CA 0.681 63.761 63.100 -0.033 0.000 0.770 615 P CB 0.154 31.842 31.700 -0.020 0.000 0.837 616 N N 0.243 118.922 118.700 -0.034 0.000 3.298 616 N HA 0.092 4.833 4.740 0.001 0.000 0.292 616 N C -0.391 175.090 175.510 -0.048 0.000 1.271 616 N CA 0.490 53.518 53.050 -0.037 0.000 1.184 616 N CB 0.060 38.530 38.487 -0.028 0.000 1.452 616 N HN 0.010 nan 8.380 nan 0.000 0.534 617 T N 0.199 114.713 114.554 -0.066 0.000 2.807 617 T HA 0.210 4.561 4.350 0.001 0.000 0.279 617 T C -0.175 174.468 174.700 -0.095 0.000 0.993 617 T CA -0.421 61.627 62.100 -0.086 0.000 0.970 617 T CB 2.646 71.446 68.868 -0.114 0.000 0.950 617 T HN -0.046 nan 8.240 nan 0.000 0.441 618 V N 5.610 125.468 119.914 -0.093 0.000 2.439 618 V HA 0.574 4.695 4.120 0.001 0.000 0.282 618 V C -0.540 175.486 176.094 -0.114 0.000 1.039 618 V CA -0.685 61.556 62.300 -0.098 0.000 0.913 618 V CB 0.516 32.285 31.823 -0.090 0.000 0.983 618 V HN 0.788 nan 8.190 nan 0.000 0.460 619 I N 6.813 127.299 120.570 -0.139 0.000 2.336 619 I HA 0.430 4.601 4.170 0.001 0.000 0.292 619 I C -0.550 175.493 176.117 -0.124 0.000 0.991 619 I CA -0.571 60.635 61.300 -0.155 0.000 1.227 619 I CB 1.861 39.720 38.000 -0.235 0.000 1.366 619 I HN 0.304 nan 8.210 nan 0.000 0.466 620 V N 5.572 125.443 119.914 -0.072 0.000 2.409 620 V HA 0.316 4.437 4.120 0.001 0.000 0.291 620 V C -0.331 175.760 176.094 -0.004 0.000 1.020 620 V CA -0.711 61.559 62.300 -0.051 0.000 0.848 620 V CB 1.621 33.438 31.823 -0.010 0.000 0.990 620 V HN 0.698 nan 8.190 nan 0.000 0.430 621 N N 3.752 122.442 118.700 -0.016 0.000 2.408 621 N HA 0.393 5.134 4.740 0.001 0.000 0.280 621 N C -0.674 174.862 175.510 0.043 0.000 1.002 621 N CA -0.426 52.679 53.050 0.091 0.000 0.907 621 N CB 1.386 40.013 38.487 0.234 0.000 1.161 621 N HN 0.693 nan 8.380 nan 0.000 0.488 622 Q N 1.833 121.698 119.800 0.109 0.000 2.372 622 Q HA 0.476 4.817 4.340 0.001 0.000 0.259 622 Q C -1.044 174.972 176.000 0.027 0.000 0.993 622 Q CA -0.624 55.221 55.803 0.072 0.000 0.854 622 Q CB 1.237 30.119 28.738 0.239 0.000 1.231 622 Q HN 0.742 nan 8.270 nan 0.000 0.462 623 S N -0.399 115.173 115.700 -0.215 0.000 2.588 623 S HA 0.564 5.035 4.470 0.001 0.000 0.269 623 S C 0.315 174.755 174.600 -0.267 0.000 1.157 623 S CA -0.477 57.590 58.200 -0.221 0.000 0.824 623 S CB 1.062 64.308 63.200 0.078 0.000 1.126 623 S HN 0.549 nan 8.310 nan 0.000 0.464 624 G N 0.342 109.117 108.800 -0.042 0.000 2.744 624 G HA2 0.425 4.386 3.960 0.001 0.000 0.211 624 G HA3 0.425 4.386 3.960 0.001 0.000 0.211 624 G C 0.465 175.607 174.900 0.403 0.000 1.146 624 G CA 0.750 46.041 45.100 0.318 0.000 0.787 624 G HN 1.344 nan 8.290 nan 0.000 0.534 625 T N -2.866 111.820 114.554 0.220 0.000 2.841 625 T HA 0.590 4.940 4.350 0.001 0.000 0.296 625 T C -3.431 171.066 174.700 -0.338 0.000 1.166 625 T CA -1.889 60.238 62.100 0.044 0.000 1.007 625 T CB 2.266 71.158 68.868 0.040 0.000 1.253 625 T HN -0.227 nan 8.240 nan 0.000 0.511 626 P HA 0.342 nan 4.420 nan 0.000 0.268 626 P C -0.563 176.156 177.300 -0.969 0.000 1.205 626 P CA -0.414 61.676 63.100 -1.682 0.000 0.771 626 P CB 0.420 31.228 31.700 -1.487 0.000 0.858 627 V N -0.370 118.997 119.914 -0.912 0.000 2.769 627 V HA 0.491 4.611 4.120 0.001 0.000 0.312 627 V C -0.091 175.637 176.094 -0.610 0.000 1.061 627 V CA -1.176 60.814 62.300 -0.517 0.000 0.931 627 V CB 1.840 33.510 31.823 -0.255 0.000 1.010 627 V HN 0.440 nan 8.190 nan 0.000 0.433 628 E N 1.943 121.895 120.200 -0.413 0.000 2.344 628 E HA 0.299 4.650 4.350 0.001 0.000 0.270 628 E C -1.532 174.813 176.600 -0.425 0.000 1.021 628 E CA -0.472 55.722 56.400 -0.343 0.000 0.887 628 E CB 0.598 30.181 29.700 -0.194 0.000 0.997 628 E HN 0.617 nan 8.360 nan 0.000 0.429 629 F N 7.076 126.855 119.950 -0.286 0.000 2.300 629 F HA 0.285 4.813 4.527 0.001 0.000 0.364 629 F C -1.691 173.527 175.800 -0.970 0.000 1.090 629 F CA -2.652 54.764 58.000 -0.973 0.000 1.200 629 F CB 1.178 39.574 39.000 -1.006 0.000 1.493 629 F HN 0.460 nan 8.300 nan 0.000 0.518 630 P HA -0.129 nan 4.420 nan 0.000 0.221 630 P C 1.226 178.421 177.300 -0.175 0.000 1.150 630 P CA 1.223 64.144 63.100 -0.300 0.000 0.800 630 P CB -0.006 31.618 31.700 -0.128 0.000 0.787 631 W N -1.147 120.230 121.300 0.129 0.000 3.400 631 W HA 0.309 4.970 4.660 0.001 0.000 0.347 631 W C 0.827 177.392 176.519 0.077 0.000 1.218 631 W CA -0.673 56.720 57.345 0.079 0.000 1.837 631 W CB -1.060 28.434 29.460 0.057 0.000 1.067 631 W HN -0.137 nan 8.180 nan 0.000 0.701 632 L N 2.242 123.543 121.223 0.129 0.000 2.089 632 L HA -0.248 4.093 4.340 0.001 0.000 0.213 632 L C 2.363 179.360 176.870 0.212 0.000 1.079 632 L CA 2.201 57.145 54.840 0.175 0.000 0.758 632 L CB -0.774 41.334 42.059 0.083 0.000 0.891 632 L HN -0.037 nan 8.230 nan 0.000 0.433 633 E N -0.851 119.442 120.200 0.155 0.000 2.204 633 E HA -0.183 4.168 4.350 0.001 0.000 0.194 633 E C 1.357 178.025 176.600 0.114 0.000 0.989 633 E CA 1.243 57.707 56.400 0.107 0.000 0.824 633 E CB 0.033 29.771 29.700 0.064 0.000 0.756 633 E HN 0.571 nan 8.360 nan 0.000 0.477 634 D N -0.462 120.031 120.400 0.155 0.000 2.350 634 D HA 0.061 4.702 4.640 0.001 0.000 0.213 634 D C -0.245 176.113 176.300 0.097 0.000 1.031 634 D CA 0.235 54.302 54.000 0.111 0.000 0.861 634 D CB 0.365 41.228 40.800 0.105 0.000 0.926 634 D HN 0.073 nan 8.370 nan 0.000 0.520 635 A N 0.903 123.822 122.820 0.164 0.000 2.343 635 A HA 0.226 4.547 4.320 0.001 0.000 0.305 635 A C 0.812 178.433 177.584 0.061 0.000 1.308 635 A CA -0.438 51.660 52.037 0.101 0.000 0.949 635 A CB -0.264 18.882 19.000 0.243 0.000 1.148 635 A HN 0.033 nan 8.150 nan 0.000 0.545 636 N N 1.617 120.326 118.700 0.014 0.000 2.416 636 N HA 0.183 4.924 4.740 0.001 0.000 0.177 636 N C 0.408 175.915 175.510 -0.004 0.000 1.036 636 N CA 0.917 53.973 53.050 0.010 0.000 0.901 636 N CB 0.241 38.726 38.487 -0.004 0.000 0.976 636 N HN 0.679 nan 8.380 nan 0.000 0.444 637 A N 0.902 123.702 122.820 -0.033 0.000 2.357 637 A HA 0.616 4.937 4.320 0.001 0.000 0.295 637 A C -1.610 175.920 177.584 -0.090 0.000 1.121 637 A CA -0.405 51.600 52.037 -0.053 0.000 0.742 637 A CB 0.957 19.920 19.000 -0.061 0.000 1.181 637 A HN 0.102 nan 8.150 nan 0.000 0.454 638 L N 3.395 124.549 121.223 -0.115 0.000 2.439 638 L HA 0.732 5.072 4.340 0.001 0.000 0.270 638 L C -1.422 175.299 176.870 -0.249 0.000 0.972 638 L CA -0.315 54.404 54.840 -0.202 0.000 0.836 638 L CB 2.125 44.038 42.059 -0.244 0.000 1.255 638 L HN 0.432 nan 8.230 nan 0.000 0.404 639 V N 4.002 123.771 119.914 -0.242 0.000 2.540 639 V HA 0.534 4.655 4.120 0.001 0.000 0.302 639 V C -0.622 175.298 176.094 -0.290 0.000 1.035 639 V CA -0.617 61.538 62.300 -0.241 0.000 0.873 639 V CB 1.751 33.482 31.823 -0.152 0.000 0.992 639 V HN 0.774 nan 8.190 nan 0.000 0.428 640 Q N 3.485 123.053 119.800 -0.386 0.000 2.398 640 Q HA 0.648 4.989 4.340 0.001 0.000 0.251 640 Q C 0.266 175.934 176.000 -0.554 0.000 0.999 640 Q CA 0.183 55.666 55.803 -0.534 0.000 0.874 640 Q CB 1.546 29.806 28.738 -0.796 0.000 1.215 640 Q HN 0.857 nan 8.270 nan 0.000 0.470 641 A N 4.009 126.607 122.820 -0.371 0.000 2.267 641 A HA 0.331 4.652 4.320 0.001 0.000 0.213 641 A C -0.280 177.313 177.584 0.016 0.000 1.192 641 A CA 0.055 52.007 52.037 -0.143 0.000 0.851 641 A CB -0.523 18.470 19.000 -0.011 0.000 0.881 641 A HN 0.939 nan 8.150 nan 0.000 0.494 642 W N -2.681 118.615 121.300 -0.008 0.000 2.801 642 W HA -0.307 4.354 4.660 0.002 0.000 0.261 642 W C -0.439 175.992 176.519 -0.147 0.000 0.592 642 W CA 0.764 58.041 57.345 -0.112 0.000 0.632 642 W CB -1.235 28.225 29.460 -0.000 0.000 1.549 642 W HN 0.229 nan 8.180 nan 0.000 0.391 643 Y N 1.537 122.083 120.300 0.410 0.000 2.555 643 Y HA 0.515 5.066 4.550 0.002 0.000 0.326 643 Y C 0.984 177.003 175.900 0.198 0.000 0.984 643 Y CA -0.963 57.273 58.100 0.228 0.000 1.298 643 Y CB 0.768 39.319 38.460 0.153 0.000 1.094 643 Y HN 0.498 nan 8.280 nan 0.000 0.500 644 G N 1.079 110.061 108.800 0.304 0.000 3.026 644 G HA2 0.372 4.333 3.960 0.001 0.000 0.208 644 G HA3 0.372 4.333 3.960 0.001 0.000 0.208 644 G C 0.983 175.967 174.900 0.140 0.000 1.169 644 G CA 0.425 45.654 45.100 0.213 0.000 0.788 644 G HN 1.043 nan 8.290 nan 0.000 0.533 645 G N 0.602 109.478 108.800 0.126 0.000 2.562 645 G HA2 -0.333 3.628 3.960 0.001 0.000 0.250 645 G HA3 -0.333 3.628 3.960 0.001 0.000 0.250 645 G C 0.865 175.748 174.900 -0.028 0.000 1.269 645 G CA 0.195 45.316 45.100 0.035 0.000 0.919 645 G HN 0.247 nan 8.290 nan 0.000 0.574 646 N N 0.958 119.576 118.700 -0.136 0.000 2.120 646 N HA -0.026 4.715 4.740 0.001 0.000 0.188 646 N C 1.757 177.249 175.510 -0.031 0.000 1.024 646 N CA 1.701 54.610 53.050 -0.235 0.000 0.852 646 N CB -0.097 38.072 38.487 -0.531 0.000 1.003 646 N HN 0.577 nan 8.380 nan 0.000 0.424 647 E N 0.693 120.908 120.200 0.026 0.000 2.403 647 E HA 0.030 4.380 4.350 0.001 0.000 0.188 647 E C 1.591 178.254 176.600 0.104 0.000 1.056 647 E CA -0.173 56.300 56.400 0.122 0.000 0.892 647 E CB -0.056 29.703 29.700 0.098 0.000 1.049 647 E HN 0.379 nan 8.360 nan 0.000 0.465 648 L N -1.535 119.747 121.223 0.099 0.000 2.013 648 L HA -0.066 4.275 4.340 0.001 0.000 0.212 648 L C 2.052 178.990 176.870 0.113 0.000 1.073 648 L CA 2.496 57.405 54.840 0.115 0.000 0.753 648 L CB -1.433 40.708 42.059 0.136 0.000 0.890 648 L HN 0.028 nan 8.230 nan 0.000 0.432 649 G N -0.425 108.441 108.800 0.111 0.000 2.402 649 G HA2 -0.239 3.722 3.960 0.001 0.000 0.216 649 G HA3 -0.239 3.722 3.960 0.001 0.000 0.216 649 G C 1.415 176.363 174.900 0.079 0.000 1.162 649 G CA 0.790 45.949 45.100 0.098 0.000 0.777 649 G HN 0.500 nan 8.290 nan 0.000 0.539 650 N N 1.272 120.017 118.700 0.075 0.000 2.244 650 N HA -0.044 4.697 4.740 0.001 0.000 0.183 650 N C 2.435 177.985 175.510 0.068 0.000 1.016 650 N CA 1.145 54.228 53.050 0.057 0.000 0.866 650 N CB -0.384 38.132 38.487 0.048 0.000 0.980 650 N HN 0.315 nan 8.380 nan 0.000 0.430 651 A N 1.073 123.941 122.820 0.079 0.000 1.930 651 A HA -0.017 4.304 4.320 0.001 0.000 0.217 651 A C 2.328 179.963 177.584 0.084 0.000 1.175 651 A CA 0.729 52.814 52.037 0.079 0.000 0.627 651 A CB -0.524 18.527 19.000 0.086 0.000 0.815 651 A HN 0.167 nan 8.150 nan 0.000 0.443 652 I N -0.294 120.330 120.570 0.090 0.000 2.163 652 I HA -0.268 3.902 4.170 0.001 0.000 0.240 652 I C 3.016 179.202 176.117 0.114 0.000 1.081 652 I CA 1.066 62.419 61.300 0.088 0.000 1.353 652 I CB -0.350 37.703 38.000 0.089 0.000 1.054 652 I HN 0.350 nan 8.210 nan 0.000 0.407 653 A N 0.532 123.430 122.820 0.130 0.000 1.892 653 A HA -0.288 4.033 4.320 0.001 0.000 0.218 653 A C 1.933 179.659 177.584 0.235 0.000 1.188 653 A CA 2.308 54.468 52.037 0.204 0.000 0.631 653 A CB -0.767 18.290 19.000 0.095 0.000 0.822 653 A HN 0.380 nan 8.150 nan 0.000 0.447 654 D N -0.481 120.003 120.400 0.141 0.000 2.158 654 D HA -0.124 4.517 4.640 0.001 0.000 0.197 654 D C 1.971 178.367 176.300 0.159 0.000 0.995 654 D CA 1.555 55.637 54.000 0.137 0.000 0.846 654 D CB -0.343 40.512 40.800 0.091 0.000 0.941 654 D HN 0.261 nan 8.370 nan 0.000 0.456 655 V N 0.515 120.502 119.914 0.120 0.000 2.446 655 V HA -0.105 4.016 4.120 0.001 0.000 0.244 655 V C 2.568 178.739 176.094 0.129 0.000 1.039 655 V CA 0.673 63.019 62.300 0.075 0.000 1.045 655 V CB -0.290 31.531 31.823 -0.003 0.000 0.681 655 V HN 0.178 nan 8.190 nan 0.000 0.459 656 L N -1.176 120.112 121.223 0.108 0.000 2.127 656 L HA -0.211 4.130 4.340 0.001 0.000 0.211 656 L C 2.114 178.889 176.870 -0.160 0.000 1.089 656 L CA 1.865 56.700 54.840 -0.008 0.000 0.757 656 L CB -0.467 41.562 42.059 -0.050 0.000 0.899 656 L HN 0.381 nan 8.230 nan 0.000 0.434 657 Y N -0.864 119.485 120.300 0.081 0.000 2.458 657 Y HA 0.250 4.801 4.550 0.001 0.000 0.256 657 Y C 1.735 177.703 175.900 0.113 0.000 1.159 657 Y CA 0.375 58.516 58.100 0.067 0.000 1.261 657 Y CB 0.532 39.023 38.460 0.051 0.000 1.119 657 Y HN 0.207 nan 8.280 nan 0.000 0.524 658 G N 0.007 108.982 108.800 0.292 0.000 2.159 658 G HA2 -0.312 3.648 3.960 0.001 0.000 0.256 658 G HA3 -0.312 3.648 3.960 0.001 0.000 0.256 658 G C 0.818 175.893 174.900 0.291 0.000 0.977 658 G CA 0.636 45.935 45.100 0.332 0.000 0.652 658 G HN 0.362 nan 8.290 nan 0.000 0.531 659 D N -0.515 120.026 120.400 0.235 0.000 2.219 659 D HA 0.074 4.715 4.640 0.001 0.000 0.205 659 D C 1.185 177.573 176.300 0.147 0.000 0.970 659 D CA 1.281 55.386 54.000 0.175 0.000 0.851 659 D CB 0.338 41.215 40.800 0.129 0.000 0.943 659 D HN 0.381 nan 8.370 nan 0.000 0.488 660 V N 1.310 121.301 119.914 0.130 0.000 2.487 660 V HA 0.198 4.319 4.120 0.001 0.000 0.298 660 V C 0.054 176.174 176.094 0.044 0.000 1.028 660 V CA -0.837 61.517 62.300 0.089 0.000 0.860 660 V CB 2.663 34.521 31.823 0.057 0.000 0.991 660 V HN -0.278 nan 8.190 nan 0.000 0.427 661 V N 7.834 127.761 119.914 0.022 0.000 2.408 661 V HA 0.252 4.373 4.120 0.001 0.000 0.267 661 V C -1.904 174.040 176.094 -0.251 0.000 1.047 661 V CA -1.642 60.568 62.300 -0.150 0.000 0.937 661 V CB 1.297 33.112 31.823 -0.012 0.000 0.999 661 V HN 0.750 nan 8.190 nan 0.000 0.472 662 P HA 0.034 nan 4.420 nan 0.000 0.262 662 P C -0.178 176.985 177.300 -0.228 0.000 1.182 662 P CA 0.366 63.261 63.100 -0.340 0.000 0.761 662 P CB 0.303 31.721 31.700 -0.470 0.000 0.795 663 N N 0.527 119.146 118.700 -0.135 0.000 2.036 663 N HA 0.151 4.892 4.740 0.001 0.000 0.228 663 N C 0.591 176.045 175.510 -0.094 0.000 1.368 663 N CA -0.570 52.416 53.050 -0.106 0.000 0.846 663 N CB 0.067 38.531 38.487 -0.039 0.000 1.145 663 N HN 0.359 nan 8.380 nan 0.000 0.502 664 G N 0.486 109.248 108.800 -0.062 0.000 2.539 664 G HA2 0.479 4.440 3.960 0.001 0.000 0.258 664 G HA3 0.479 4.440 3.960 0.001 0.000 0.258 664 G C -0.552 174.303 174.900 -0.075 0.000 1.202 664 G CA -0.311 44.790 45.100 0.002 0.000 0.851 664 G HN 0.030 nan 8.290 nan 0.000 0.556 665 K N 0.776 121.151 120.400 -0.041 0.000 2.422 665 K HA 0.309 4.630 4.320 0.001 0.000 0.251 665 K C -0.354 176.304 176.600 0.096 0.000 0.933 665 K CA -0.805 55.380 56.287 -0.169 0.000 0.798 665 K CB 2.663 34.768 32.500 -0.658 0.000 1.238 665 K HN 0.337 nan 8.250 nan 0.000 0.428 666 L N 2.290 123.574 121.223 0.102 0.000 2.513 666 L HA -0.057 4.284 4.340 0.001 0.000 0.272 666 L C 1.427 178.451 176.870 0.257 0.000 1.187 666 L CA 0.301 55.320 54.840 0.298 0.000 0.895 666 L CB 0.417 42.655 42.059 0.299 0.000 1.147 666 L HN 0.797 nan 8.230 nan 0.000 0.483 667 S N 3.902 119.795 115.700 0.322 0.000 2.593 667 S HA 0.257 4.728 4.470 0.001 0.000 0.217 667 S C 0.256 175.153 174.600 0.495 0.000 0.966 667 S CA -0.220 58.136 58.200 0.261 0.000 0.914 667 S CB -0.043 63.188 63.200 0.051 0.000 0.776 667 S HN 0.473 nan 8.310 nan 0.000 0.523 668 L N 0.719 122.261 121.223 0.532 0.000 2.393 668 L HA 0.487 4.828 4.340 0.001 0.000 0.260 668 L C -0.433 176.759 176.870 0.536 0.000 1.002 668 L CA -0.818 54.333 54.840 0.519 0.000 0.818 668 L CB 2.208 44.504 42.059 0.395 0.000 1.369 668 L HN -0.064 nan 8.230 nan 0.000 0.412 669 S N 0.601 116.588 115.700 0.478 0.000 2.576 669 S HA 0.177 4.648 4.470 0.001 0.000 0.276 669 S C -0.932 173.824 174.600 0.259 0.000 1.339 669 S CA -0.259 58.164 58.200 0.372 0.000 1.039 669 S CB 0.624 64.048 63.200 0.374 0.000 0.902 669 S HN 0.490 nan 8.310 nan 0.000 0.516 670 W N 6.173 127.461 121.300 -0.019 0.000 2.453 670 W HA 0.293 4.953 4.660 0.001 0.000 0.298 670 W C -2.954 173.397 176.519 -0.280 0.000 0.983 670 W CA -2.543 54.761 57.345 -0.067 0.000 1.600 670 W CB 0.864 30.375 29.460 0.085 0.000 1.430 670 W HN 0.477 nan 8.180 nan 0.000 0.422 671 P HA 0.028 nan 4.420 nan 0.000 0.272 671 P C 0.820 177.999 177.300 -0.203 0.000 1.230 671 P CA 0.116 63.049 63.100 -0.277 0.000 0.788 671 P CB 1.002 32.633 31.700 -0.115 0.000 0.949 672 F N 0.123 120.010 119.950 -0.105 0.000 2.171 672 F HA -0.037 4.491 4.527 0.002 0.000 0.300 672 F C 1.552 177.280 175.800 -0.120 0.000 1.090 672 F CA 1.748 59.688 58.000 -0.100 0.000 1.293 672 F CB -0.160 38.773 39.000 -0.112 0.000 1.013 672 F HN 0.174 nan 8.300 nan 0.000 0.486 673 K N -0.605 119.839 120.400 0.073 0.000 2.502 673 K HA 0.248 4.569 4.320 0.001 0.000 0.257 673 K C 0.165 176.713 176.600 -0.086 0.000 0.938 673 K CA -0.765 55.504 56.287 -0.030 0.000 0.819 673 K CB 2.631 35.103 32.500 -0.046 0.000 1.333 673 K HN -0.203 nan 8.250 nan 0.000 0.434 674 L N 2.475 123.628 121.223 -0.117 0.000 2.043 674 L HA -0.239 4.102 4.340 0.001 0.000 0.212 674 L C 1.680 178.390 176.870 -0.266 0.000 1.075 674 L CA 2.129 56.905 54.840 -0.107 0.000 0.752 674 L CB -0.179 41.872 42.059 -0.014 0.000 0.891 674 L HN 0.637 nan 8.230 nan 0.000 0.432 675 Q N -0.528 118.942 119.800 -0.551 0.000 2.364 675 Q HA -0.137 4.204 4.340 0.001 0.000 0.207 675 Q C 1.571 177.286 176.000 -0.475 0.000 0.970 675 Q CA 1.271 56.403 55.803 -1.118 0.000 0.888 675 Q CB -0.275 27.920 28.738 -0.903 0.000 0.951 675 Q HN 0.540 nan 8.270 nan 0.000 0.469 676 D N 0.450 120.755 120.400 -0.157 0.000 2.312 676 D HA -0.070 4.571 4.640 0.001 0.000 0.211 676 D C 0.165 176.608 176.300 0.239 0.000 0.964 676 D CA 0.430 54.487 54.000 0.095 0.000 0.877 676 D CB -0.419 40.501 40.800 0.201 0.000 0.924 676 D HN 0.439 nan 8.370 nan 0.000 0.515 677 N N 1.260 120.030 118.700 0.116 0.000 2.525 677 N HA 0.036 4.777 4.740 0.001 0.000 0.271 677 N C -1.736 173.666 175.510 -0.179 0.000 1.194 677 N CA -1.041 52.053 53.050 0.074 0.000 0.964 677 N CB 1.355 39.862 38.487 0.035 0.000 1.126 677 N HN -0.263 nan 8.380 nan 0.000 0.452 678 P HA -0.175 nan 4.420 nan 0.000 0.217 678 P C 0.290 177.378 177.300 -0.352 0.000 1.148 678 P CA 1.534 63.972 63.100 -1.104 0.000 0.828 678 P CB -0.061 30.863 31.700 -1.293 0.000 0.783 679 A N -2.071 120.640 122.820 -0.183 0.000 2.507 679 A HA 0.173 4.494 4.320 0.001 0.000 0.270 679 A C 1.424 179.051 177.584 0.072 0.000 1.318 679 A CA -0.585 51.437 52.037 -0.025 0.000 0.924 679 A CB -1.439 17.586 19.000 0.041 0.000 1.061 679 A HN -0.014 nan 8.150 nan 0.000 0.516 680 F N 0.651 120.557 119.950 -0.074 0.000 2.091 680 F HA -0.193 4.335 4.527 0.001 0.000 0.299 680 F C 1.501 177.318 175.800 0.028 0.000 1.103 680 F CA 1.967 59.953 58.000 -0.023 0.000 1.228 680 F CB -0.105 38.889 39.000 -0.009 0.000 0.984 680 F HN 0.252 nan 8.300 nan 0.000 0.477 681 L N 0.010 121.166 121.223 -0.111 0.000 2.509 681 L HA -0.016 4.325 4.340 0.001 0.000 0.222 681 L C -0.044 176.773 176.870 -0.089 0.000 1.123 681 L CA 0.647 55.366 54.840 -0.202 0.000 0.856 681 L CB -0.537 41.496 42.059 -0.044 0.000 0.985 681 L HN 0.292 nan 8.230 nan 0.000 0.456 682 N N -1.704 116.993 118.700 -0.005 0.000 2.646 682 N HA 0.069 4.810 4.740 0.001 0.000 0.303 682 N C -0.561 174.995 175.510 0.076 0.000 1.921 682 N CA -0.330 52.734 53.050 0.025 0.000 0.872 682 N CB -0.266 38.242 38.487 0.035 0.000 1.327 682 N HN -0.064 nan 8.380 nan 0.000 0.492 683 F N 0.912 120.809 119.950 -0.090 0.000 2.893 683 F HA 0.487 5.015 4.527 0.001 0.000 0.340 683 F C -0.128 175.645 175.800 -0.045 0.000 1.300 683 F CA -0.514 57.445 58.000 -0.068 0.000 1.227 683 F CB 0.261 39.229 39.000 -0.053 0.000 1.044 683 F HN 0.054 nan 8.300 nan 0.000 0.512 684 K N -0.169 120.163 120.400 -0.112 0.000 2.546 684 K HA 0.378 4.698 4.320 0.001 0.000 0.264 684 K C -1.011 175.518 176.600 -0.117 0.000 0.937 684 K CA -0.575 55.649 56.287 -0.104 0.000 0.833 684 K CB 1.802 34.268 32.500 -0.057 0.000 1.378 684 K HN -0.070 nan 8.250 nan 0.000 0.432 685 T N 3.100 117.590 114.554 -0.108 0.000 2.729 685 T HA 0.211 4.562 4.350 0.001 0.000 0.296 685 T C -1.030 173.594 174.700 -0.126 0.000 0.928 685 T CA -0.180 61.864 62.100 -0.092 0.000 1.045 685 T CB 0.320 69.149 68.868 -0.066 0.000 0.902 685 T HN 0.393 nan 8.240 nan 0.000 0.500 686 E N 2.386 122.506 120.200 -0.133 0.000 2.218 686 E HA 0.371 4.722 4.350 0.001 0.000 0.263 686 E C -0.546 175.928 176.600 -0.211 0.000 0.879 686 E CA -1.017 55.189 56.400 -0.323 0.000 0.762 686 E CB 1.193 30.715 29.700 -0.297 0.000 1.166 686 E HN 0.570 nan 8.360 nan 0.000 0.415 687 F N 1.984 121.923 119.950 -0.017 0.000 3.093 687 F HA -0.247 4.281 4.527 0.001 0.000 0.287 687 F C 1.236 177.019 175.800 -0.029 0.000 0.882 687 F CA 1.058 59.046 58.000 -0.020 0.000 1.063 687 F CB -2.094 36.894 39.000 -0.020 0.000 1.097 687 F HN 0.953 nan 8.300 nan 0.000 0.604 688 G N -0.588 108.237 108.800 0.042 0.000 2.148 688 G HA2 -0.198 3.763 3.960 0.001 0.000 0.254 688 G HA3 -0.198 3.763 3.960 0.001 0.000 0.254 688 G C 0.118 175.013 174.900 -0.007 0.000 0.981 688 G CA 0.497 45.604 45.100 0.012 0.000 0.670 688 G HN 0.981 nan 8.290 nan 0.000 0.528 689 R N -1.667 118.839 120.500 0.011 0.000 2.799 689 R HA 0.851 5.192 4.340 0.001 0.000 0.270 689 R C -1.105 175.196 176.300 0.001 0.000 1.010 689 R CA -1.144 54.954 56.100 -0.004 0.000 0.916 689 R CB 1.462 31.766 30.300 0.007 0.000 1.228 689 R HN 0.527 nan 8.270 nan 0.000 0.469 690 V N 2.111 122.031 119.914 0.009 0.000 2.567 690 V HA 0.440 4.561 4.120 0.001 0.000 0.298 690 V C -0.593 175.577 176.094 0.127 0.000 1.047 690 V CA -0.624 61.705 62.300 0.050 0.000 0.880 690 V CB 1.634 33.493 31.823 0.059 0.000 1.009 690 V HN 0.673 nan 8.190 nan 0.000 0.429 691 I N 4.826 125.470 120.570 0.123 0.000 2.315 691 I HA 0.318 4.489 4.170 0.001 0.000 0.291 691 I C -0.582 175.683 176.117 0.248 0.000 1.006 691 I CA -0.588 60.797 61.300 0.142 0.000 1.265 691 I CB 1.074 39.123 38.000 0.081 0.000 1.387 691 I HN 0.540 nan 8.210 nan 0.000 0.475 692 Y N 5.773 126.056 120.300 -0.029 0.000 2.623 692 Y HA 0.145 4.696 4.550 0.001 0.000 0.341 692 Y C 1.620 177.544 175.900 0.041 0.000 1.292 692 Y CA -0.892 57.208 58.100 0.001 0.000 1.840 692 Y CB -0.162 38.276 38.460 -0.036 0.000 1.865 692 Y HN 0.691 nan 8.280 nan 0.000 0.440 693 G N 1.060 109.958 108.800 0.163 0.000 2.470 693 G HA2 -0.223 3.737 3.960 0.001 0.000 0.220 693 G HA3 -0.223 3.737 3.960 0.001 0.000 0.220 693 G C 1.503 176.493 174.900 0.151 0.000 1.121 693 G CA 0.643 45.822 45.100 0.132 0.000 0.766 693 G HN 0.541 nan 8.290 nan 0.000 0.553 694 E N 0.763 121.048 120.200 0.142 0.000 2.427 694 E HA 0.043 4.394 4.350 0.001 0.000 0.196 694 E C 0.872 177.637 176.600 0.275 0.000 1.028 694 E CA 0.905 57.419 56.400 0.191 0.000 0.864 694 E CB -0.113 29.620 29.700 0.057 0.000 0.813 694 E HN 0.296 nan 8.360 nan 0.000 0.514 695 D N 1.056 121.594 120.400 0.230 0.000 3.685 695 D HA -0.320 4.321 4.640 0.001 0.000 0.152 695 D C 1.212 177.582 176.300 0.117 0.000 0.966 695 D CA 3.018 57.136 54.000 0.197 0.000 1.085 695 D CB -1.370 39.537 40.800 0.178 0.000 0.521 695 D HN 0.326 nan 8.370 nan 0.000 0.543 696 I N -1.874 118.637 120.570 -0.098 0.000 3.176 696 I HA 0.126 4.297 4.170 0.001 0.000 0.275 696 I C 0.564 176.449 176.117 -0.387 0.000 1.298 696 I CA 0.459 61.587 61.300 -0.287 0.000 1.445 696 I CB -0.464 37.271 38.000 -0.442 0.000 1.075 696 I HN 0.036 nan 8.210 nan 0.000 0.482 697 F N 2.595 122.582 119.950 0.063 0.000 2.541 697 F HA 0.425 4.953 4.527 0.002 0.000 0.351 697 F C 0.075 175.879 175.800 0.007 0.000 1.209 697 F CA -0.418 57.617 58.000 0.059 0.000 1.277 697 F CB 0.075 39.164 39.000 0.148 0.000 1.632 697 F HN -0.199 nan 8.300 nan 0.000 0.619 698 V N 1.479 121.404 119.914 0.018 0.000 2.547 698 V HA 0.790 4.911 4.120 0.001 0.000 0.299 698 V C 0.795 176.847 176.094 -0.069 0.000 1.040 698 V CA -0.225 62.047 62.300 -0.048 0.000 0.913 698 V CB 1.070 32.841 31.823 -0.086 0.000 0.992 698 V HN 0.867 nan 8.190 nan 0.000 0.449 699 G N 4.159 112.958 108.800 -0.001 0.000 2.596 699 G HA2 -0.385 3.575 3.960 0.001 0.000 0.295 699 G HA3 -0.385 3.575 3.960 0.001 0.000 0.295 699 G C 0.622 175.688 174.900 0.277 0.000 1.240 699 G CA 1.338 46.540 45.100 0.170 0.000 0.985 699 G HN 1.448 nan 8.290 nan 0.000 0.555 700 Y N 0.813 121.292 120.300 0.298 0.000 2.315 700 Y HA 0.033 4.584 4.550 0.001 0.000 0.288 700 Y C 2.889 178.948 175.900 0.265 0.000 1.154 700 Y CA 1.709 60.019 58.100 0.349 0.000 1.229 700 Y CB -0.571 38.055 38.460 0.276 0.000 0.980 700 Y HN 0.467 nan 8.280 nan 0.000 0.540 701 R N -0.607 119.694 120.500 -0.333 0.000 2.117 701 R HA -0.219 4.122 4.340 0.001 0.000 0.243 701 R C 1.956 178.403 176.300 0.245 0.000 1.143 701 R CA 2.032 58.100 56.100 -0.054 0.000 0.968 701 R CB -0.752 29.472 30.300 -0.126 0.000 0.863 701 R HN 0.546 nan 8.270 nan 0.000 0.444 702 Y N 0.065 120.374 120.300 0.015 0.000 2.176 702 Y HA -0.175 4.376 4.550 0.002 0.000 0.291 702 Y C 1.764 177.590 175.900 -0.122 0.000 1.122 702 Y CA 1.166 59.212 58.100 -0.089 0.000 1.128 702 Y CB -0.300 37.974 38.460 -0.310 0.000 1.005 702 Y HN -0.080 nan 8.280 nan 0.000 0.509 703 Y N 0.990 121.411 120.300 0.202 0.000 2.181 703 Y HA -0.198 4.353 4.550 0.001 0.000 0.288 703 Y C 2.389 178.295 175.900 0.010 0.000 1.146 703 Y CA 1.895 60.036 58.100 0.069 0.000 1.164 703 Y CB -0.704 37.858 38.460 0.171 0.000 0.982 703 Y HN 0.221 nan 8.280 nan 0.000 0.515 704 E N -0.029 120.308 120.200 0.228 0.000 2.153 704 E HA -0.224 4.127 4.350 0.001 0.000 0.194 704 E C 1.999 178.623 176.600 0.038 0.000 0.988 704 E CA 1.249 57.735 56.400 0.143 0.000 0.811 704 E CB -0.119 29.700 29.700 0.199 0.000 0.746 704 E HN 0.213 nan 8.360 nan 0.000 0.466 705 K N 0.856 121.242 120.400 -0.023 0.000 2.103 705 K HA -0.090 4.231 4.320 0.001 0.000 0.204 705 K C 1.635 178.109 176.600 -0.210 0.000 1.052 705 K CA 0.724 56.930 56.287 -0.134 0.000 0.945 705 K CB 0.009 32.347 32.500 -0.270 0.000 0.722 705 K HN -0.018 nan 8.250 nan 0.000 0.443 706 L N 1.538 122.592 121.223 -0.283 0.000 2.554 706 L HA 0.118 4.459 4.340 0.001 0.000 0.226 706 L C -0.047 176.747 176.870 -0.127 0.000 1.137 706 L CA 0.843 55.519 54.840 -0.272 0.000 0.863 706 L CB -0.519 41.274 42.059 -0.444 0.000 0.985 706 L HN 0.266 nan 8.230 nan 0.000 0.451 707 Q N 0.142 119.906 119.800 -0.061 0.000 2.435 707 Q HA -0.281 4.059 4.340 0.001 0.000 0.312 707 Q C 0.370 176.381 176.000 0.018 0.000 1.333 707 Q CA 0.595 56.395 55.803 -0.005 0.000 0.883 707 Q CB -1.463 27.265 28.738 -0.016 0.000 1.170 707 Q HN 0.432 nan 8.270 nan 0.000 0.443 708 R N 1.560 122.098 120.500 0.062 0.000 2.221 708 R HA 0.230 4.571 4.340 0.001 0.000 0.327 708 R C -0.369 176.017 176.300 0.144 0.000 1.033 708 R CA -0.525 55.647 56.100 0.120 0.000 0.887 708 R CB 0.731 31.157 30.300 0.211 0.000 1.057 708 R HN 0.036 nan 8.270 nan 0.000 0.455 709 K N 3.226 123.694 120.400 0.113 0.000 2.382 709 K HA 0.103 4.424 4.320 0.001 0.000 0.275 709 K C 0.078 176.747 176.600 0.115 0.000 1.009 709 K CA -0.239 56.119 56.287 0.119 0.000 0.970 709 K CB 0.946 33.555 32.500 0.182 0.000 0.934 709 K HN 0.437 nan 8.250 nan 0.000 0.479 710 V N -1.429 118.399 119.914 -0.144 0.000 3.019 710 V HA 0.505 4.626 4.120 0.001 0.000 0.317 710 V C 1.029 176.464 176.094 -1.097 0.000 1.094 710 V CA -0.504 61.487 62.300 -0.515 0.000 1.000 710 V CB 1.427 32.922 31.823 -0.547 0.000 1.060 710 V HN 0.827 nan 8.190 nan 0.000 0.443 711 A N 1.304 123.112 122.820 -1.685 0.000 1.883 711 A HA 0.182 4.503 4.320 0.001 0.000 0.217 711 A C 0.634 177.319 177.584 -1.498 0.000 1.186 711 A CA 1.807 52.803 52.037 -1.734 0.000 0.624 711 A CB -0.647 17.708 19.000 -1.074 0.000 0.822 711 A HN 0.927 nan 8.150 nan 0.000 0.444 712 F N -1.244 118.479 119.950 -0.379 0.000 2.588 712 F HA 0.479 5.007 4.527 0.002 0.000 0.314 712 F C -2.776 172.951 175.800 -0.122 0.000 1.134 712 F CA -2.583 55.222 58.000 -0.325 0.000 0.961 712 F CB 2.163 41.001 39.000 -0.271 0.000 1.239 712 F HN -0.095 nan 8.300 nan 0.000 0.448 713 P HA 0.249 nan 4.420 nan 0.000 0.285 713 P C -0.543 176.927 177.300 0.283 0.000 1.269 713 P CA -0.491 62.696 63.100 0.146 0.000 0.844 713 P CB 1.180 32.924 31.700 0.073 0.000 1.094 714 F N 1.635 121.709 119.950 0.208 0.000 2.635 714 F HA 0.254 4.782 4.527 0.001 0.000 0.379 714 F C 1.457 177.358 175.800 0.167 0.000 1.094 714 F CA 2.182 60.321 58.000 0.232 0.000 1.300 714 F CB -0.417 38.710 39.000 0.212 0.000 1.035 714 F HN 0.748 nan 8.300 nan 0.000 0.581 715 G N 3.701 112.119 108.800 -0.638 0.000 2.176 715 G HA2 -0.350 3.611 3.960 0.001 0.000 0.253 715 G HA3 -0.350 3.611 3.960 0.001 0.000 0.253 715 G C -0.283 174.442 174.900 -0.292 0.000 0.979 715 G CA 0.110 44.824 45.100 -0.643 0.000 0.641 715 G HN 0.960 nan 8.290 nan 0.000 0.530 716 Y N 1.276 121.456 120.300 -0.200 0.000 2.304 716 Y HA 0.529 5.080 4.550 0.001 0.000 0.328 716 Y C 0.605 176.409 175.900 -0.161 0.000 1.123 716 Y CA 0.577 58.599 58.100 -0.128 0.000 1.218 716 Y CB 1.587 40.042 38.460 -0.007 0.000 1.207 716 Y HN 0.705 nan 8.280 nan 0.000 0.495 717 G N 5.809 114.125 108.800 -0.807 0.000 2.633 717 G HA2 0.402 4.363 3.960 0.001 0.000 0.299 717 G HA3 0.402 4.363 3.960 0.001 0.000 0.299 717 G C -2.053 172.460 174.900 -0.646 0.000 1.501 717 G CA -0.921 43.817 45.100 -0.604 0.000 0.887 717 G HN 0.767 nan 8.290 nan 0.000 0.561 718 L N 0.489 121.423 121.223 -0.482 0.000 2.544 718 L HA 0.868 5.209 4.340 0.001 0.000 0.256 718 L C 0.858 177.585 176.870 -0.238 0.000 1.097 718 L CA -0.829 53.813 54.840 -0.330 0.000 0.812 718 L CB 1.840 43.771 42.059 -0.214 0.000 1.440 718 L HN 0.611 nan 8.230 nan 0.000 0.496 719 S N -2.278 113.336 115.700 -0.144 0.000 2.732 719 S HA 0.422 4.893 4.470 0.001 0.000 0.293 719 S C -0.162 174.363 174.600 -0.125 0.000 1.159 719 S CA -0.462 57.650 58.200 -0.147 0.000 0.847 719 S CB 0.885 64.154 63.200 0.115 0.000 1.169 719 S HN 0.382 nan 8.310 nan 0.000 0.501 720 Y N 0.764 120.941 120.300 -0.205 0.000 2.500 720 Y HA 0.331 4.882 4.550 0.002 0.000 0.270 720 Y C 1.565 177.357 175.900 -0.180 0.000 1.134 720 Y CA 0.212 58.095 58.100 -0.361 0.000 1.293 720 Y CB -0.198 37.688 38.460 -0.957 0.000 1.063 720 Y HN 0.569 nan 8.280 nan 0.000 0.534 721 T N -0.774 113.783 114.554 0.006 0.000 2.804 721 T HA 0.614 4.965 4.350 0.001 0.000 0.272 721 T C -0.243 174.314 174.700 -0.239 0.000 0.986 721 T CA -0.246 61.794 62.100 -0.099 0.000 0.999 721 T CB 1.273 70.031 68.868 -0.183 0.000 1.307 721 T HN 0.081 nan 8.240 nan 0.000 0.586 722 T N -0.286 114.018 114.554 -0.418 0.000 2.906 722 T HA 0.807 5.158 4.350 0.001 0.000 0.295 722 T C -1.389 172.981 174.700 -0.550 0.000 1.075 722 T CA -0.650 61.277 62.100 -0.288 0.000 1.005 722 T CB 1.235 70.037 68.868 -0.110 0.000 1.136 722 T HN 0.409 nan 8.240 nan 0.000 0.498 723 F N -0.033 119.901 119.950 -0.027 0.000 2.626 723 F HA 0.682 5.210 4.527 0.001 0.000 0.311 723 F C -0.098 175.688 175.800 -0.023 0.000 1.088 723 F CA -0.804 57.179 58.000 -0.029 0.000 0.949 723 F CB 2.413 41.386 39.000 -0.045 0.000 1.322 723 F HN 0.975 nan 8.300 nan 0.000 0.461 724 E N 1.291 121.602 120.200 0.185 0.000 2.433 724 E HA 0.800 5.151 4.350 0.001 0.000 0.278 724 E C -2.039 174.612 176.600 0.086 0.000 0.976 724 E CA -1.175 55.286 56.400 0.102 0.000 0.793 724 E CB 2.931 32.665 29.700 0.057 0.000 1.311 724 E HN 0.541 nan 8.360 nan 0.000 0.460 725 L N -1.318 119.937 121.223 0.053 0.000 2.540 725 L HA 0.793 5.134 4.340 0.001 0.000 0.256 725 L C -2.043 174.841 176.870 0.025 0.000 1.001 725 L CA -0.585 54.277 54.840 0.037 0.000 0.843 725 L CB 1.966 44.040 42.059 0.025 0.000 1.436 725 L HN 0.748 nan 8.230 nan 0.000 0.410 726 D N -0.040 120.373 120.400 0.020 0.000 2.655 726 D HA 0.544 5.185 4.640 0.001 0.000 0.229 726 D C -0.824 175.484 176.300 0.014 0.000 1.229 726 D CA -0.497 53.511 54.000 0.013 0.000 0.807 726 D CB 1.568 42.376 40.800 0.013 0.000 1.514 726 D HN 0.709 nan 8.370 nan 0.000 0.444 727 I N 1.607 122.181 120.570 0.006 0.000 2.581 727 I HA 0.036 4.207 4.170 0.001 0.000 0.285 727 I C 1.066 177.201 176.117 0.030 0.000 1.129 727 I CA 0.246 61.555 61.300 0.016 0.000 1.397 727 I CB 0.645 38.638 38.000 -0.012 0.000 1.399 727 I HN 0.575 nan 8.210 nan 0.000 0.537 728 S N 3.039 118.763 115.700 0.040 0.000 2.511 728 S HA 0.195 4.666 4.470 0.001 0.000 0.214 728 S C 0.301 174.932 174.600 0.051 0.000 0.997 728 S CA -0.292 57.931 58.200 0.039 0.000 0.908 728 S CB 0.409 63.627 63.200 0.030 0.000 0.803 728 S HN 0.692 nan 8.310 nan 0.000 0.504 729 D N -0.614 119.831 120.400 0.076 0.000 2.706 729 D HA 0.483 5.124 4.640 0.001 0.000 0.225 729 D C -2.295 174.109 176.300 0.173 0.000 1.241 729 D CA -0.400 53.655 54.000 0.092 0.000 0.784 729 D CB 2.204 43.031 40.800 0.044 0.000 1.521 729 D HN 0.142 nan 8.370 nan 0.000 0.461 730 F N 2.280 122.215 119.950 -0.024 0.000 2.588 730 F HA 0.459 4.986 4.527 0.001 0.000 0.318 730 F C -1.500 174.272 175.800 -0.046 0.000 1.155 730 F CA -0.490 57.486 58.000 -0.041 0.000 0.967 730 F CB 1.426 40.406 39.000 -0.033 0.000 1.236 730 F HN 0.097 nan 8.300 nan 0.000 0.455 731 K N 6.154 126.088 120.400 -0.777 0.000 2.541 731 K HA 0.622 4.943 4.320 0.001 0.000 0.250 731 K C -1.812 174.341 176.600 -0.746 0.000 0.950 731 K CA -0.782 55.153 56.287 -0.587 0.000 0.805 731 K CB 2.030 34.361 32.500 -0.282 0.000 1.166 731 K HN 0.488 nan 8.250 nan 0.000 0.430 732 V N 0.942 120.508 119.914 -0.579 0.000 2.357 732 V HA 0.405 4.526 4.120 0.001 0.000 0.284 732 V C 0.627 176.611 176.094 -0.184 0.000 1.018 732 V CA -0.781 61.282 62.300 -0.395 0.000 0.841 732 V CB 0.646 32.303 31.823 -0.276 0.000 0.991 732 V HN 0.888 nan 8.190 nan 0.000 0.437 733 T N 0.358 114.813 114.554 -0.165 0.000 2.900 733 T HA 0.199 4.550 4.350 0.001 0.000 0.326 733 T C 0.682 175.350 174.700 -0.054 0.000 1.145 733 T CA 0.386 62.429 62.100 -0.094 0.000 0.963 733 T CB 0.829 69.640 68.868 -0.095 0.000 1.512 733 T HN 0.580 nan 8.240 nan 0.000 0.552 734 D N -0.070 120.309 120.400 -0.035 0.000 2.347 734 D HA 0.122 4.763 4.640 0.001 0.000 0.213 734 D C 0.779 177.057 176.300 -0.037 0.000 0.985 734 D CA 0.611 54.602 54.000 -0.014 0.000 0.879 734 D CB 0.088 40.888 40.800 -0.002 0.000 0.919 734 D HN 0.561 nan 8.370 nan 0.000 0.526 735 D N -0.751 119.608 120.400 -0.069 0.000 2.514 735 D HA 0.130 4.771 4.640 0.001 0.000 0.225 735 D C 0.168 176.390 176.300 -0.130 0.000 1.159 735 D CA 0.062 54.005 54.000 -0.095 0.000 0.823 735 D CB 1.436 42.182 40.800 -0.089 0.000 1.097 735 D HN 0.075 nan 8.370 nan 0.000 0.519 736 K N 0.294 120.610 120.400 -0.140 0.000 2.533 736 K HA 0.610 4.931 4.320 0.001 0.000 0.272 736 K C -1.391 175.075 176.600 -0.222 0.000 0.985 736 K CA -0.669 55.516 56.287 -0.169 0.000 0.876 736 K CB 2.684 35.093 32.500 -0.151 0.000 1.452 736 K HN -0.230 nan 8.250 nan 0.000 0.439 737 I N 1.381 121.815 120.570 -0.226 0.000 2.478 737 I HA 0.464 4.634 4.170 0.001 0.000 0.287 737 I C -1.051 174.933 176.117 -0.221 0.000 1.042 737 I CA -0.359 60.766 61.300 -0.291 0.000 1.067 737 I CB 2.086 39.998 38.000 -0.147 0.000 1.233 737 I HN 0.654 nan 8.210 nan 0.000 0.431 738 A N 7.248 129.883 122.820 -0.308 0.000 2.304 738 A HA 0.898 5.219 4.320 0.001 0.000 0.314 738 A C -0.872 176.627 177.584 -0.141 0.000 1.187 738 A CA -0.530 51.397 52.037 -0.182 0.000 0.810 738 A CB 0.908 19.806 19.000 -0.170 0.000 1.183 738 A HN 0.778 nan 8.150 nan 0.000 0.487 739 I N 1.412 121.982 120.570 -0.000 0.000 2.498 739 I HA 0.672 4.843 4.170 0.001 0.000 0.290 739 I C -0.716 175.442 176.117 0.068 0.000 1.032 739 I CA -0.063 61.311 61.300 0.122 0.000 1.073 739 I CB 2.225 40.383 38.000 0.264 0.000 1.251 739 I HN 0.419 nan 8.210 nan 0.000 0.426 740 S N 5.571 121.316 115.700 0.075 0.000 2.472 740 S HA 0.749 5.220 4.470 0.001 0.000 0.303 740 S C -0.874 173.753 174.600 0.044 0.000 1.099 740 S CA -0.598 57.627 58.200 0.042 0.000 1.077 740 S CB 1.953 65.170 63.200 0.029 0.000 1.031 740 S HN 0.468 nan 8.310 nan 0.000 0.487 741 V N 2.728 122.660 119.914 0.029 0.000 2.588 741 V HA 0.429 4.550 4.120 0.001 0.000 0.304 741 V C -1.124 174.983 176.094 0.021 0.000 1.042 741 V CA -0.896 61.419 62.300 0.025 0.000 0.877 741 V CB 2.190 34.025 31.823 0.019 0.000 0.996 741 V HN 0.735 nan 8.190 nan 0.000 0.425 742 D N 2.809 123.222 120.400 0.023 0.000 2.193 742 D HA 0.643 5.284 4.640 0.001 0.000 0.244 742 D C -0.619 175.700 176.300 0.031 0.000 1.064 742 D CA 0.006 54.021 54.000 0.026 0.000 0.845 742 D CB 2.130 42.945 40.800 0.025 0.000 1.148 742 D HN 0.283 nan 8.370 nan 0.000 0.464 743 V N 2.278 122.215 119.914 0.039 0.000 2.604 743 V HA 0.508 4.629 4.120 0.001 0.000 0.305 743 V C -0.124 176.024 176.094 0.090 0.000 1.043 743 V CA -0.897 61.439 62.300 0.059 0.000 0.888 743 V CB 2.133 33.979 31.823 0.038 0.000 0.995 743 V HN 0.353 nan 8.190 nan 0.000 0.429 744 K N 2.839 123.313 120.400 0.123 0.000 2.427 744 K HA 0.426 4.747 4.320 0.001 0.000 0.252 744 K C -0.863 175.806 176.600 0.116 0.000 0.931 744 K CA -0.733 55.614 56.287 0.100 0.000 0.793 744 K CB 1.729 34.256 32.500 0.046 0.000 1.211 744 K HN 0.690 nan 8.250 nan 0.000 0.426 745 N N 2.552 121.272 118.700 0.033 0.000 2.415 745 N HA -0.001 4.740 4.740 0.001 0.000 0.250 745 N C 0.235 175.643 175.510 -0.171 0.000 1.127 745 N CA 0.074 53.001 53.050 -0.205 0.000 0.945 745 N CB 1.058 39.422 38.487 -0.205 0.000 1.196 745 N HN 0.678 nan 8.380 nan 0.000 0.499 746 T N -0.235 114.208 114.554 -0.185 0.000 3.148 746 T HA 0.209 4.560 4.350 0.001 0.000 0.253 746 T C 1.001 175.633 174.700 -0.113 0.000 1.134 746 T CA -0.272 61.763 62.100 -0.108 0.000 1.051 746 T CB -0.139 68.688 68.868 -0.069 0.000 0.959 746 T HN 0.326 nan 8.240 nan 0.000 0.525 747 G N 1.470 110.173 108.800 -0.162 0.000 2.547 747 G HA2 0.460 4.421 3.960 0.001 0.000 0.291 747 G HA3 0.460 4.421 3.960 0.001 0.000 0.291 747 G C -0.083 174.769 174.900 -0.080 0.000 1.211 747 G CA -0.290 44.746 45.100 -0.106 0.000 0.950 747 G HN 0.378 nan 8.290 nan 0.000 0.504 748 D N -2.202 118.162 120.400 -0.060 0.000 2.540 748 D HA 0.096 4.737 4.640 0.001 0.000 0.229 748 D C 0.911 177.153 176.300 -0.096 0.000 1.250 748 D CA -0.133 53.826 54.000 -0.068 0.000 0.817 748 D CB 0.631 41.397 40.800 -0.056 0.000 1.060 748 D HN 0.450 nan 8.370 nan 0.000 0.508 749 K N -0.852 119.481 120.400 -0.112 0.000 2.410 749 K HA 0.239 4.560 4.320 0.001 0.000 0.204 749 K C -0.599 175.784 176.600 -0.362 0.000 1.268 749 K CA -0.026 56.098 56.287 -0.271 0.000 0.896 749 K CB 0.604 32.889 32.500 -0.358 0.000 1.401 749 K HN -0.069 nan 8.250 nan 0.000 0.479 750 F N 1.670 121.602 119.950 -0.031 0.000 2.436 750 F HA 0.470 4.998 4.527 0.001 0.000 0.340 750 F C 0.253 176.030 175.800 -0.038 0.000 1.113 750 F CA -1.103 56.898 58.000 0.001 0.000 1.022 750 F CB 1.577 40.614 39.000 0.062 0.000 1.128 750 F HN 0.043 nan 8.300 nan 0.000 0.466 751 A N 2.099 125.013 122.820 0.156 0.000 2.425 751 A HA 0.713 5.034 4.320 0.001 0.000 0.242 751 A C 0.413 178.045 177.584 0.079 0.000 1.077 751 A CA 0.554 52.615 52.037 0.041 0.000 0.781 751 A CB -0.048 18.981 19.000 0.049 0.000 1.020 751 A HN 1.040 nan 8.150 nan 0.000 0.494 752 G N -0.678 108.104 108.800 -0.030 0.000 2.495 752 G HA2 0.524 4.485 3.960 0.001 0.000 0.294 752 G HA3 0.524 4.485 3.960 0.001 0.000 0.294 752 G C -1.046 173.954 174.900 0.167 0.000 1.397 752 G CA -0.268 44.916 45.100 0.140 0.000 0.790 752 G HN 0.893 nan 8.290 nan 0.000 0.486 753 S N -0.504 115.297 115.700 0.167 0.000 2.537 753 S HA 0.711 5.182 4.470 0.001 0.000 0.301 753 S C -0.694 173.699 174.600 -0.345 0.000 1.092 753 S CA -0.443 57.759 58.200 0.003 0.000 1.048 753 S CB 1.942 65.188 63.200 0.077 0.000 1.053 753 S HN 0.705 nan 8.310 nan 0.000 0.501 754 E N 1.210 121.061 120.200 -0.582 0.000 2.277 754 E HA 0.610 4.961 4.350 0.001 0.000 0.266 754 E C -1.635 174.719 176.600 -0.410 0.000 0.901 754 E CA -0.784 55.108 56.400 -0.847 0.000 0.782 754 E CB 1.481 30.364 29.700 -1.361 0.000 1.228 754 E HN 0.271 nan 8.360 nan 0.000 0.424 755 V N 3.674 123.366 119.914 -0.369 0.000 2.357 755 V HA 0.322 4.443 4.120 0.001 0.000 0.284 755 V C -0.452 175.524 176.094 -0.197 0.000 1.018 755 V CA -0.955 61.200 62.300 -0.242 0.000 0.841 755 V CB 1.533 33.133 31.823 -0.371 0.000 0.991 755 V HN 0.568 nan 8.190 nan 0.000 0.437 756 V N 5.885 125.750 119.914 -0.083 0.000 2.455 756 V HA 0.260 4.381 4.120 0.001 0.000 0.273 756 V C 0.163 176.283 176.094 0.044 0.000 1.045 756 V CA -0.200 62.084 62.300 -0.027 0.000 0.976 756 V CB 0.817 32.639 31.823 -0.002 0.000 0.993 756 V HN 0.911 nan 8.190 nan 0.000 0.475 757 Q N 3.520 123.344 119.800 0.040 0.000 2.322 757 Q HA 0.612 4.953 4.340 0.001 0.000 0.265 757 Q C -1.192 174.820 176.000 0.021 0.000 0.985 757 Q CA -0.587 55.251 55.803 0.057 0.000 0.849 757 Q CB 2.635 31.427 28.738 0.089 0.000 1.274 757 Q HN 0.602 nan 8.270 nan 0.000 0.449 758 V N 3.711 123.580 119.914 -0.075 0.000 2.357 758 V HA 0.387 4.507 4.120 0.001 0.000 0.284 758 V C -1.061 174.902 176.094 -0.217 0.000 1.018 758 V CA -0.676 61.578 62.300 -0.075 0.000 0.841 758 V CB 0.236 32.057 31.823 -0.003 0.000 0.991 758 V HN 0.645 nan 8.190 nan 0.000 0.437 759 Y N 3.932 124.239 120.300 0.011 0.000 2.487 759 Y HA 0.721 5.272 4.550 0.002 0.000 0.337 759 Y C -0.274 175.582 175.900 -0.074 0.000 1.076 759 Y CA -0.731 57.434 58.100 0.108 0.000 1.115 759 Y CB 1.842 40.378 38.460 0.126 0.000 1.235 759 Y HN 0.488 nan 8.280 nan 0.000 0.468 760 F N 0.129 120.277 119.950 0.330 0.000 2.561 760 F HA 0.684 5.212 4.527 0.001 0.000 0.321 760 F C -0.284 175.693 175.800 0.294 0.000 1.065 760 F CA -0.666 57.515 58.000 0.302 0.000 0.934 760 F CB 2.275 41.435 39.000 0.267 0.000 1.215 760 F HN 0.274 nan 8.300 nan 0.000 0.471 761 S N 0.876 116.841 115.700 0.441 0.000 2.548 761 S HA 0.739 5.210 4.470 0.001 0.000 0.276 761 S C -0.977 173.784 174.600 0.269 0.000 1.129 761 S CA -0.829 57.550 58.200 0.297 0.000 0.931 761 S CB 1.823 65.122 63.200 0.165 0.000 1.068 761 S HN 0.762 nan 8.310 nan 0.000 0.480 762 A N 2.479 125.390 122.820 0.152 0.000 2.320 762 A HA 0.613 4.934 4.320 0.001 0.000 0.287 762 A C 0.699 178.152 177.584 -0.218 0.000 1.181 762 A CA -0.490 51.414 52.037 -0.222 0.000 0.831 762 A CB -0.068 18.852 19.000 -0.133 0.000 1.102 762 A HN 0.927 nan 8.150 nan 0.000 0.513 763 L N 1.449 122.469 121.223 -0.339 0.000 2.202 763 L HA 0.086 4.427 4.340 0.001 0.000 0.205 763 L C 0.761 177.537 176.870 -0.157 0.000 1.083 763 L CA 0.932 55.657 54.840 -0.191 0.000 0.790 763 L CB 0.036 41.990 42.059 -0.176 0.000 0.942 763 L HN 0.820 nan 8.230 nan 0.000 0.452 764 N N -0.623 117.959 118.700 -0.197 0.000 2.646 764 N HA 0.077 4.818 4.740 0.001 0.000 0.303 764 N C -0.411 175.027 175.510 -0.119 0.000 1.921 764 N CA -0.238 52.737 53.050 -0.125 0.000 0.872 764 N CB 0.949 39.381 38.487 -0.092 0.000 1.327 764 N HN 0.066 nan 8.380 nan 0.000 0.492 765 S N -0.754 114.868 115.700 -0.131 0.000 2.614 765 S HA 0.271 4.742 4.470 0.001 0.000 0.265 765 S C 1.011 175.573 174.600 -0.063 0.000 1.303 765 S CA -0.507 57.634 58.200 -0.099 0.000 1.000 765 S CB 1.981 65.111 63.200 -0.117 0.000 0.935 765 S HN 0.166 nan 8.310 nan 0.000 0.551 766 K N -0.181 120.192 120.400 -0.044 0.000 2.393 766 K HA 0.215 4.536 4.320 0.001 0.000 0.193 766 K C -0.311 176.262 176.600 -0.044 0.000 1.026 766 K CA 0.106 56.376 56.287 -0.027 0.000 1.064 766 K CB 0.236 32.736 32.500 -0.000 0.000 0.833 766 K HN 0.427 nan 8.250 nan 0.000 0.521 767 V N 1.631 121.483 119.914 -0.104 0.000 2.546 767 V HA 0.032 4.153 4.120 0.001 0.000 0.284 767 V C 0.387 176.418 176.094 -0.105 0.000 1.050 767 V CA -0.379 61.822 62.300 -0.166 0.000 0.981 767 V CB 1.512 33.056 31.823 -0.465 0.000 0.990 767 V HN 0.085 nan 8.190 nan 0.000 0.474 768 S N 6.011 121.696 115.700 -0.025 0.000 2.516 768 S HA 0.398 4.869 4.470 0.001 0.000 0.282 768 S C 0.033 174.689 174.600 0.093 0.000 1.286 768 S CA -0.258 57.987 58.200 0.075 0.000 1.066 768 S CB -0.129 63.167 63.200 0.161 0.000 0.884 768 S HN 0.720 nan 8.310 nan 0.000 0.491 769 R N 3.531 124.113 120.500 0.136 0.000 2.930 769 R HA 0.554 4.895 4.340 0.001 0.000 0.257 769 R C -2.801 173.674 176.300 0.293 0.000 1.107 769 R CA -2.320 53.861 56.100 0.136 0.000 0.999 769 R CB 0.413 30.773 30.300 0.100 0.000 1.209 769 R HN 0.364 nan 8.270 nan 0.000 0.486 770 P HA -0.022 nan 4.420 nan 0.000 0.270 770 P C 0.780 178.224 177.300 0.240 0.000 1.223 770 P CA -0.208 63.078 63.100 0.311 0.000 0.785 770 P CB 0.524 32.327 31.700 0.172 0.000 0.923 771 V N 0.512 120.555 119.914 0.215 0.000 2.282 771 V HA -0.212 3.909 4.120 0.001 0.000 0.249 771 V C 1.105 177.313 176.094 0.190 0.000 1.057 771 V CA 2.081 64.477 62.300 0.161 0.000 1.032 771 V CB -1.278 30.622 31.823 0.128 0.000 0.645 771 V HN 0.743 nan 8.190 nan 0.000 0.447 772 K N -0.585 119.969 120.400 0.258 0.000 2.575 772 K HA 0.650 4.970 4.320 0.001 0.000 0.279 772 K C -1.538 175.368 176.600 0.509 0.000 0.969 772 K CA -0.827 55.663 56.287 0.339 0.000 0.868 772 K CB 2.239 34.898 32.500 0.265 0.000 1.457 772 K HN 0.145 nan 8.250 nan 0.000 0.426 773 E N 1.313 121.859 120.200 0.578 0.000 2.272 773 E HA 0.235 4.586 4.350 0.001 0.000 0.269 773 E C -1.341 175.593 176.600 0.556 0.000 0.877 773 E CA -1.181 55.568 56.400 0.581 0.000 0.755 773 E CB 2.416 32.331 29.700 0.359 0.000 1.192 773 E HN 0.436 nan 8.360 nan 0.000 0.422 774 L N 3.332 124.833 121.223 0.464 0.000 2.513 774 L HA 0.032 4.373 4.340 0.001 0.000 0.272 774 L C 0.268 177.145 176.870 0.012 0.000 1.187 774 L CA 0.855 55.690 54.840 -0.008 0.000 0.895 774 L CB 0.153 42.284 42.059 0.119 0.000 1.147 774 L HN 0.477 nan 8.230 nan 0.000 0.483 775 K N 3.960 124.277 120.400 -0.139 0.000 2.517 775 K HA 0.452 4.772 4.320 0.001 0.000 0.210 775 K C 0.024 176.180 176.600 -0.741 0.000 1.166 775 K CA 0.343 56.290 56.287 -0.566 0.000 1.030 775 K CB 1.312 33.693 32.500 -0.198 0.000 0.974 775 K HN 0.713 nan 8.250 nan 0.000 0.585 776 G N 1.453 110.119 108.800 -0.224 0.000 2.702 776 G HA2 0.556 4.517 3.960 0.001 0.000 0.296 776 G HA3 0.556 4.517 3.960 0.001 0.000 0.296 776 G C -1.588 173.453 174.900 0.234 0.000 1.463 776 G CA -0.809 44.288 45.100 -0.005 0.000 0.890 776 G HN 0.027 nan 8.290 nan 0.000 0.534 777 F N -0.901 119.144 119.950 0.158 0.000 2.641 777 F HA 0.882 5.410 4.527 0.001 0.000 0.308 777 F C -0.951 174.900 175.800 0.086 0.000 1.105 777 F CA -1.233 56.844 58.000 0.129 0.000 0.964 777 F CB 2.116 41.276 39.000 0.268 0.000 1.294 777 F HN 0.338 nan 8.300 nan 0.000 0.442 778 E N 1.752 122.063 120.200 0.185 0.000 2.292 778 E HA 0.312 4.663 4.350 0.001 0.000 0.272 778 E C -1.716 174.947 176.600 0.104 0.000 0.881 778 E CA -0.898 55.556 56.400 0.089 0.000 0.754 778 E CB 3.059 32.768 29.700 0.014 0.000 1.201 778 E HN 0.758 nan 8.360 nan 0.000 0.425 779 K N 1.308 121.767 120.400 0.099 0.000 2.159 779 K HA 0.558 4.879 4.320 0.001 0.000 0.266 779 K C -1.171 175.444 176.600 0.025 0.000 0.975 779 K CA -0.678 55.639 56.287 0.049 0.000 0.865 779 K CB 1.562 34.112 32.500 0.083 0.000 1.087 779 K HN 0.243 nan 8.250 nan 0.000 0.446 780 V N 4.993 124.903 119.914 -0.007 0.000 2.623 780 V HA 0.260 4.381 4.120 0.001 0.000 0.304 780 V C -1.342 174.789 176.094 0.061 0.000 1.054 780 V CA -0.639 61.677 62.300 0.027 0.000 0.882 780 V CB 1.552 33.376 31.823 0.002 0.000 1.002 780 V HN 0.920 nan 8.190 nan 0.000 0.424 781 H N 7.110 126.196 119.070 0.027 0.000 2.489 781 H HA 0.628 5.185 4.556 0.002 0.000 0.322 781 H C -1.554 173.829 175.328 0.092 0.000 1.091 781 H CA -0.322 55.763 56.048 0.063 0.000 1.291 781 H CB 1.532 31.325 29.762 0.052 0.000 1.436 781 H HN 0.604 nan 8.280 nan 0.000 0.480 782 L N 4.479 125.509 121.223 -0.322 0.000 2.464 782 L HA 0.209 4.550 4.340 0.001 0.000 0.266 782 L C -0.138 176.609 176.870 -0.205 0.000 0.965 782 L CA -0.952 53.816 54.840 -0.120 0.000 0.833 782 L CB 2.402 44.505 42.059 0.074 0.000 1.296 782 L HN 0.565 nan 8.230 nan 0.000 0.405 783 E N 2.364 122.510 120.200 -0.089 0.000 2.392 783 E HA 0.231 4.582 4.350 0.001 0.000 0.256 783 E C -2.345 174.223 176.600 -0.053 0.000 1.145 783 E CA -1.827 54.543 56.400 -0.049 0.000 0.929 783 E CB 0.220 29.924 29.700 0.006 0.000 0.998 783 E HN 0.224 nan 8.360 nan 0.000 0.442 784 P HA -0.017 nan 4.420 nan 0.000 0.262 784 P C 0.696 177.965 177.300 -0.051 0.000 1.182 784 P CA 1.271 64.331 63.100 -0.065 0.000 0.761 784 P CB 0.288 31.951 31.700 -0.061 0.000 0.795 785 G N 1.778 110.543 108.800 -0.058 0.000 2.234 785 G HA2 -0.296 3.665 3.960 0.001 0.000 0.260 785 G HA3 -0.296 3.665 3.960 0.001 0.000 0.260 785 G C 0.272 175.161 174.900 -0.019 0.000 0.987 785 G CA 0.084 45.162 45.100 -0.036 0.000 0.625 785 G HN 0.626 nan 8.290 nan 0.000 0.532 786 E N 0.718 120.909 120.200 -0.015 0.000 2.366 786 E HA 0.508 4.859 4.350 0.001 0.000 0.266 786 E C 0.060 176.672 176.600 0.020 0.000 1.051 786 E CA -0.445 55.958 56.400 0.004 0.000 0.884 786 E CB 0.440 30.145 29.700 0.009 0.000 1.006 786 E HN 0.325 nan 8.360 nan 0.000 0.417 787 K N 3.495 123.910 120.400 0.024 0.000 2.324 787 K HA 0.366 4.687 4.320 0.001 0.000 0.253 787 K C -1.226 175.394 176.600 0.033 0.000 0.932 787 K CA -0.655 55.652 56.287 0.033 0.000 0.799 787 K CB 1.206 33.722 32.500 0.026 0.000 1.154 787 K HN 0.373 nan 8.250 nan 0.000 0.425 788 K N 1.468 121.891 120.400 0.038 0.000 2.435 788 K HA 0.335 4.655 4.320 0.001 0.000 0.251 788 K C -1.148 175.468 176.600 0.027 0.000 0.954 788 K CA -0.945 55.361 56.287 0.032 0.000 0.820 788 K CB 2.335 34.858 32.500 0.037 0.000 1.292 788 K HN 0.503 nan 8.250 nan 0.000 0.436 789 T N 1.611 116.178 114.554 0.021 0.000 2.799 789 T HA 0.343 4.694 4.350 0.001 0.000 0.286 789 T C -0.343 174.365 174.700 0.013 0.000 0.973 789 T CA -0.736 61.375 62.100 0.017 0.000 1.035 789 T CB 0.846 69.723 68.868 0.015 0.000 0.932 789 T HN 0.389 nan 8.240 nan 0.000 0.469 790 V N 1.790 121.710 119.914 0.011 0.000 2.667 790 V HA 0.701 4.822 4.120 0.001 0.000 0.308 790 V C -0.493 175.602 176.094 0.003 0.000 1.048 790 V CA -1.047 61.255 62.300 0.005 0.000 0.928 790 V CB 1.924 33.748 31.823 0.003 0.000 1.004 790 V HN 0.743 nan 8.190 nan 0.000 0.444 791 N N 2.859 121.555 118.700 -0.007 0.000 2.314 791 N HA 0.691 5.432 4.740 0.001 0.000 0.304 791 N C -1.336 174.162 175.510 -0.019 0.000 1.073 791 N CA -0.272 52.772 53.050 -0.010 0.000 0.822 791 N CB 2.672 41.148 38.487 -0.018 0.000 1.280 791 N HN 0.715 nan 8.380 nan 0.000 0.489 792 I N 1.644 122.208 120.570 -0.010 0.000 2.493 792 I HA 0.171 4.342 4.170 0.001 0.000 0.279 792 I C -0.967 175.140 176.117 -0.017 0.000 1.045 792 I CA -0.505 60.787 61.300 -0.014 0.000 1.106 792 I CB 1.369 39.377 38.000 0.013 0.000 1.216 792 I HN 0.181 nan 8.210 nan 0.000 0.459 793 D N 7.745 128.117 120.400 -0.046 0.000 2.192 793 D HA 0.762 5.403 4.640 0.001 0.000 0.246 793 D C -0.739 175.515 176.300 -0.078 0.000 1.042 793 D CA -0.329 53.631 54.000 -0.067 0.000 0.847 793 D CB 2.634 43.387 40.800 -0.078 0.000 1.186 793 D HN 0.191 nan 8.370 nan 0.000 0.461 794 L N -1.608 119.558 121.223 -0.095 0.000 2.671 794 L HA 0.497 4.838 4.340 0.001 0.000 0.259 794 L C -0.383 176.390 176.870 -0.162 0.000 1.021 794 L CA -1.143 53.624 54.840 -0.122 0.000 0.871 794 L CB 0.825 42.808 42.059 -0.127 0.000 1.472 794 L HN 0.072 nan 8.230 nan 0.000 0.410 795 E N 0.821 120.911 120.200 -0.183 0.000 2.383 795 E HA 0.271 4.622 4.350 0.001 0.000 0.264 795 E C 0.585 177.030 176.600 -0.258 0.000 1.050 795 E CA -0.321 55.950 56.400 -0.215 0.000 0.896 795 E CB 1.256 30.811 29.700 -0.242 0.000 0.982 795 E HN 0.594 nan 8.360 nan 0.000 0.424 796 L N 2.750 123.829 121.223 -0.239 0.000 2.079 796 L HA -0.266 4.075 4.340 0.001 0.000 0.210 796 L C 2.483 179.191 176.870 -0.269 0.000 1.081 796 L CA 1.657 56.346 54.840 -0.252 0.000 0.752 796 L CB -0.454 41.501 42.059 -0.174 0.000 0.896 796 L HN 0.591 nan 8.230 nan 0.000 0.433 797 K N -0.659 119.564 120.400 -0.294 0.000 2.147 797 K HA -0.191 4.130 4.320 0.001 0.000 0.205 797 K C 1.349 177.758 176.600 -0.319 0.000 1.049 797 K CA 1.782 57.860 56.287 -0.347 0.000 0.936 797 K CB -0.156 31.930 32.500 -0.690 0.000 0.722 797 K HN 0.211 nan 8.250 nan 0.000 0.446 798 D N 0.861 121.054 120.400 -0.346 0.000 2.162 798 D HA -0.015 4.626 4.640 0.001 0.000 0.203 798 D C 1.905 178.034 176.300 -0.285 0.000 0.967 798 D CA 1.381 55.210 54.000 -0.285 0.000 0.840 798 D CB 0.039 40.695 40.800 -0.241 0.000 0.972 798 D HN 0.434 nan 8.370 nan 0.000 0.482 799 A N 0.699 123.275 122.820 -0.407 0.000 1.935 799 A HA 0.058 4.379 4.320 0.001 0.000 0.214 799 A C 1.926 179.188 177.584 -0.536 0.000 1.178 799 A CA 0.714 52.339 52.037 -0.687 0.000 0.640 799 A CB -0.203 18.078 19.000 -1.199 0.000 0.825 799 A HN 0.348 nan 8.150 nan 0.000 0.447 800 I N -4.313 116.064 120.570 -0.321 0.000 3.994 800 I HA 0.334 4.504 4.170 0.001 0.000 0.323 800 I C -0.210 175.945 176.117 0.063 0.000 1.501 800 I CA -0.407 60.800 61.300 -0.154 0.000 1.112 800 I CB 0.667 38.404 38.000 -0.438 0.000 1.254 800 I HN -0.127 nan 8.210 nan 0.000 0.495 801 S N 1.963 117.739 115.700 0.127 0.000 2.576 801 S HA 0.400 4.871 4.470 0.001 0.000 0.276 801 S C -0.532 174.328 174.600 0.433 0.000 1.339 801 S CA -0.082 58.296 58.200 0.295 0.000 1.039 801 S CB 0.324 63.810 63.200 0.476 0.000 0.902 801 S HN 0.502 nan 8.310 nan 0.000 0.516 802 Y N -0.130 120.391 120.300 0.369 0.000 2.598 802 Y HA 0.739 5.290 4.550 0.002 0.000 0.340 802 Y C -0.891 175.188 175.900 0.298 0.000 1.038 802 Y CA -1.821 56.496 58.100 0.360 0.000 1.100 802 Y CB 0.590 39.172 38.460 0.205 0.000 1.281 802 Y HN 0.464 nan 8.280 nan 0.000 0.488 803 F N 3.782 123.656 119.950 -0.126 0.000 2.421 803 F HA 0.296 4.824 4.527 0.002 0.000 0.358 803 F C 0.084 175.746 175.800 -0.230 0.000 1.115 803 F CA -0.368 57.261 58.000 -0.617 0.000 1.160 803 F CB 0.410 38.807 39.000 -1.005 0.000 1.123 803 F HN 0.688 nan 8.300 nan 0.000 0.508 804 N N 5.648 123.854 118.700 -0.824 0.000 2.415 804 N HA -0.010 4.731 4.740 0.001 0.000 0.246 804 N C 0.848 176.056 175.510 -0.504 0.000 1.078 804 N CA 0.223 53.070 53.050 -0.339 0.000 0.942 804 N CB 0.736 39.086 38.487 -0.228 0.000 1.140 804 N HN 0.927 nan 8.380 nan 0.000 0.501 805 E N 2.703 122.852 120.200 -0.085 0.000 2.152 805 E HA -0.187 4.164 4.350 0.001 0.000 0.192 805 E C 1.124 177.718 176.600 -0.009 0.000 0.983 805 E CA 0.845 57.290 56.400 0.076 0.000 0.818 805 E CB 0.221 30.010 29.700 0.148 0.000 0.758 805 E HN 0.762 nan 8.360 nan 0.000 0.467 806 E N 0.261 120.440 120.200 -0.034 0.000 2.072 806 E HA -0.152 4.199 4.350 0.001 0.000 0.191 806 E C 1.989 178.534 176.600 -0.092 0.000 0.985 806 E CA 0.857 57.233 56.400 -0.041 0.000 0.801 806 E CB 0.038 29.726 29.700 -0.020 0.000 0.750 806 E HN 0.304 nan 8.360 nan 0.000 0.452 807 L N -0.639 120.488 121.223 -0.161 0.000 2.418 807 L HA 0.190 4.531 4.340 0.001 0.000 0.218 807 L C 1.379 178.109 176.870 -0.233 0.000 1.125 807 L CA 0.429 55.143 54.840 -0.210 0.000 0.835 807 L CB 0.054 41.949 42.059 -0.273 0.000 0.953 807 L HN 0.461 nan 8.230 nan 0.000 0.454 808 G N 1.168 109.795 108.800 -0.289 0.000 2.182 808 G HA2 -0.263 3.698 3.960 0.001 0.000 0.248 808 G HA3 -0.263 3.698 3.960 0.001 0.000 0.248 808 G C -0.027 174.607 174.900 -0.443 0.000 1.042 808 G CA 0.188 45.167 45.100 -0.202 0.000 0.775 808 G HN 0.408 nan 8.290 nan 0.000 0.501 809 K N -1.725 118.082 120.400 -0.990 0.000 2.551 809 K HA 0.430 4.751 4.320 0.001 0.000 0.269 809 K C -0.623 175.372 176.600 -1.008 0.000 0.949 809 K CA -1.093 54.768 56.287 -0.710 0.000 0.849 809 K CB 1.444 33.791 32.500 -0.254 0.000 1.411 809 K HN 0.098 nan 8.250 nan 0.000 0.432 810 W N 1.817 122.627 121.300 -0.816 0.000 2.150 810 W HA 0.196 4.856 4.660 0.001 0.000 0.341 810 W C 0.564 176.711 176.519 -0.619 0.000 1.276 810 W CA 0.376 57.173 57.345 -0.913 0.000 1.238 810 W CB 0.424 28.834 29.460 -1.750 0.000 1.128 810 W HN 0.397 nan 8.180 nan 0.000 0.581 811 H N 1.055 119.847 119.070 -0.463 0.000 2.840 811 H HA 0.372 4.929 4.556 0.001 0.000 0.340 811 H C -1.399 173.780 175.328 -0.248 0.000 1.004 811 H CA -0.779 54.947 56.048 -0.536 0.000 1.288 811 H CB 1.341 30.653 29.762 -0.751 0.000 1.607 811 H HN 0.162 nan 8.280 nan 0.000 0.522 812 V N 5.580 125.389 119.914 -0.175 0.000 2.368 812 V HA 0.058 4.179 4.120 0.001 0.000 0.266 812 V C 0.441 176.226 176.094 -0.515 0.000 1.045 812 V CA -0.141 62.042 62.300 -0.194 0.000 0.899 812 V CB 0.949 32.742 31.823 -0.051 0.000 1.006 812 V HN 0.722 nan 8.190 nan 0.000 0.470 813 E N 3.779 123.734 120.200 -0.408 0.000 2.259 813 E HA 0.569 4.920 4.350 0.001 0.000 0.281 813 E C 0.283 176.912 176.600 0.048 0.000 1.027 813 E CA -0.637 55.565 56.400 -0.331 0.000 0.838 813 E CB 1.324 30.995 29.700 -0.048 0.000 1.066 813 E HN 0.832 nan 8.360 nan 0.000 0.401 814 A N 3.199 126.053 122.820 0.057 0.000 2.565 814 A HA 0.474 4.794 4.320 0.001 0.000 0.237 814 A C 0.602 178.264 177.584 0.129 0.000 1.053 814 A CA 0.936 53.047 52.037 0.122 0.000 0.755 814 A CB 0.054 19.114 19.000 0.100 0.000 0.980 814 A HN 0.811 nan 8.150 nan 0.000 0.506 815 G N 1.020 109.913 108.800 0.154 0.000 2.345 815 G HA2 0.401 4.362 3.960 0.001 0.000 0.285 815 G HA3 0.401 4.362 3.960 0.001 0.000 0.285 815 G C -1.490 173.374 174.900 -0.059 0.000 1.297 815 G CA -0.808 44.287 45.100 -0.008 0.000 0.875 815 G HN 0.650 nan 8.290 nan 0.000 0.506 816 E N -0.102 119.950 120.200 -0.247 0.000 2.249 816 E HA 0.624 4.975 4.350 0.001 0.000 0.280 816 E C -1.215 175.037 176.600 -0.580 0.000 1.016 816 E CA -0.093 56.155 56.400 -0.253 0.000 0.830 816 E CB 1.455 31.049 29.700 -0.176 0.000 1.081 816 E HN 0.395 nan 8.360 nan 0.000 0.395 817 Y N 0.820 120.838 120.300 -0.469 0.000 2.570 817 Y HA 0.464 5.015 4.550 0.002 0.000 0.345 817 Y C -0.341 175.282 175.900 -0.462 0.000 1.014 817 Y CA -1.135 56.637 58.100 -0.547 0.000 1.063 817 Y CB 1.636 39.561 38.460 -0.892 0.000 1.272 817 Y HN 0.309 nan 8.280 nan 0.000 0.477 818 L N 2.254 123.478 121.223 0.001 0.000 2.356 818 L HA 0.665 5.006 4.340 0.001 0.000 0.277 818 L C -1.214 175.735 176.870 0.131 0.000 0.996 818 L CA -0.725 54.153 54.840 0.062 0.000 0.822 818 L CB 1.592 43.665 42.059 0.024 0.000 1.256 818 L HN 0.501 nan 8.230 nan 0.000 0.413 819 V N 4.928 124.897 119.914 0.092 0.000 2.465 819 V HA 0.683 4.803 4.120 0.001 0.000 0.279 819 V C -0.325 175.666 176.094 -0.172 0.000 1.045 819 V CA 0.116 62.262 62.300 -0.257 0.000 0.938 819 V CB 1.579 33.167 31.823 -0.392 0.000 0.986 819 V HN 0.925 nan 8.190 nan 0.000 0.467 820 S N 5.075 120.696 115.700 -0.132 0.000 2.532 820 S HA 0.733 5.204 4.470 0.001 0.000 0.299 820 S C -0.858 173.776 174.600 0.057 0.000 1.105 820 S CA -0.536 57.657 58.200 -0.011 0.000 1.018 820 S CB 1.798 65.026 63.200 0.045 0.000 1.021 820 S HN 0.680 nan 8.310 nan 0.000 0.483 821 V N 2.265 122.203 119.914 0.039 0.000 2.588 821 V HA 0.957 5.078 4.120 0.001 0.000 0.304 821 V C 0.513 176.649 176.094 0.071 0.000 1.042 821 V CA -0.255 62.081 62.300 0.061 0.000 0.877 821 V CB 1.489 33.316 31.823 0.006 0.000 0.996 821 V HN 1.047 nan 8.190 nan 0.000 0.425 822 G N 2.085 110.948 108.800 0.105 0.000 2.619 822 G HA2 0.537 4.498 3.960 0.001 0.000 0.305 822 G HA3 0.537 4.498 3.960 0.001 0.000 0.305 822 G C 0.069 174.989 174.900 0.034 0.000 1.330 822 G CA 0.349 45.487 45.100 0.064 0.000 0.789 822 G HN 0.700 nan 8.290 nan 0.000 0.487 823 T N -2.674 111.873 114.554 -0.012 0.000 3.085 823 T HA 0.536 4.887 4.350 0.001 0.000 0.264 823 T C 0.649 175.276 174.700 -0.122 0.000 1.019 823 T CA 0.828 62.869 62.100 -0.099 0.000 0.910 823 T CB -0.302 68.489 68.868 -0.128 0.000 1.059 823 T HN 1.754 nan 8.240 nan 0.000 0.542 824 S N 0.084 115.771 115.700 -0.021 0.000 2.636 824 S HA 0.442 4.913 4.470 0.001 0.000 0.268 824 S C 0.899 175.523 174.600 0.040 0.000 1.159 824 S CA 0.029 58.228 58.200 -0.001 0.000 0.815 824 S CB 0.978 64.237 63.200 0.098 0.000 1.130 824 S HN 0.295 nan 8.310 nan 0.000 0.471 825 S N -0.384 115.329 115.700 0.022 0.000 2.474 825 S HA -0.032 4.439 4.470 0.001 0.000 0.235 825 S C 0.735 175.228 174.600 -0.179 0.000 0.997 825 S CA 1.661 59.711 58.200 -0.251 0.000 0.949 825 S CB -0.590 62.507 63.200 -0.171 0.000 0.766 825 S HN 0.775 nan 8.310 nan 0.000 0.517 826 D N 0.837 121.218 120.400 -0.032 0.000 2.431 826 D HA 0.169 4.810 4.640 0.001 0.000 0.213 826 D C -0.682 175.628 176.300 0.016 0.000 1.130 826 D CA -0.104 53.893 54.000 -0.006 0.000 0.834 826 D CB 0.199 41.009 40.800 0.017 0.000 0.985 826 D HN 0.243 nan 8.370 nan 0.000 0.504 827 D N 1.226 121.636 120.400 0.017 0.000 2.613 827 D HA 0.112 4.752 4.640 0.001 0.000 0.312 827 D C -0.279 176.029 176.300 0.014 0.000 1.202 827 D CA -0.402 53.619 54.000 0.036 0.000 0.825 827 D CB 0.884 41.725 40.800 0.069 0.000 1.113 827 D HN 0.094 nan 8.370 nan 0.000 0.502 828 I N 1.623 122.191 120.570 -0.003 0.000 2.395 828 I HA 0.166 4.337 4.170 0.001 0.000 0.289 828 I C 1.454 177.576 176.117 0.008 0.000 1.023 828 I CA -0.147 61.154 61.300 0.000 0.000 1.350 828 I CB 1.617 39.604 38.000 -0.022 0.000 1.409 828 I HN 0.224 nan 8.210 nan 0.000 0.507 829 L N 3.854 125.084 121.223 0.013 0.000 2.781 829 L HA 0.230 4.571 4.340 0.001 0.000 0.245 829 L C 0.478 177.350 176.870 0.003 0.000 1.118 829 L CA 0.308 55.154 54.840 0.011 0.000 0.918 829 L CB 0.471 42.540 42.059 0.017 0.000 1.246 829 L HN 0.634 nan 8.230 nan 0.000 0.526 830 S N 0.167 115.865 115.700 -0.004 0.000 2.563 830 S HA 0.558 5.029 4.470 0.001 0.000 0.279 830 S C -0.998 173.578 174.600 -0.040 0.000 1.155 830 S CA -0.599 57.589 58.200 -0.019 0.000 0.928 830 S CB 1.446 64.636 63.200 -0.015 0.000 1.107 830 S HN -0.004 nan 8.310 nan 0.000 0.462 831 V N 1.713 121.593 119.914 -0.057 0.000 3.141 831 V HA 0.950 5.071 4.120 0.001 0.000 0.312 831 V C -0.971 175.048 176.094 -0.125 0.000 1.157 831 V CA -0.872 61.380 62.300 -0.080 0.000 1.041 831 V CB 1.944 33.738 31.823 -0.048 0.000 1.071 831 V HN 1.011 nan 8.190 nan 0.000 0.441 832 K N 0.875 121.177 120.400 -0.163 0.000 2.570 832 K HA 0.430 4.751 4.320 0.001 0.000 0.256 832 K C -1.210 175.342 176.600 -0.080 0.000 0.939 832 K CA -0.393 55.761 56.287 -0.222 0.000 0.833 832 K CB 2.361 34.516 32.500 -0.575 0.000 1.318 832 K HN 1.086 nan 8.250 nan 0.000 0.433 833 E N 3.743 123.945 120.200 0.004 0.000 2.283 833 E HA 0.565 4.915 4.350 0.001 0.000 0.271 833 E C -1.188 175.582 176.600 0.283 0.000 1.031 833 E CA -0.612 55.839 56.400 0.086 0.000 0.868 833 E CB 0.693 30.409 29.700 0.026 0.000 1.094 833 E HN 0.400 nan 8.360 nan 0.000 0.401 834 F N 0.516 120.563 119.950 0.162 0.000 2.711 834 F HA 0.566 5.094 4.527 0.001 0.000 0.313 834 F C -1.466 174.487 175.800 0.255 0.000 1.141 834 F CA -1.292 56.858 58.000 0.250 0.000 0.941 834 F CB 1.111 40.361 39.000 0.417 0.000 1.349 834 F HN 0.360 nan 8.300 nan 0.000 0.464 835 K N 1.427 122.049 120.400 0.370 0.000 2.318 835 K HA 0.827 5.147 4.320 0.001 0.000 0.249 835 K C -2.244 174.541 176.600 0.309 0.000 0.942 835 K CA -0.780 55.644 56.287 0.228 0.000 0.808 835 K CB 2.403 35.000 32.500 0.162 0.000 1.189 835 K HN 0.715 nan 8.250 nan 0.000 0.428 836 V N 3.998 124.071 119.914 0.264 0.000 2.588 836 V HA 0.264 4.385 4.120 0.001 0.000 0.304 836 V C 0.096 176.287 176.094 0.161 0.000 1.042 836 V CA -0.451 61.984 62.300 0.225 0.000 0.877 836 V CB 1.570 33.523 31.823 0.218 0.000 0.996 836 V HN 1.062 nan 8.190 nan 0.000 0.425 837 E N 2.796 123.067 120.200 0.119 0.000 2.474 837 E HA 0.153 4.504 4.350 0.001 0.000 0.215 837 E C 0.670 177.319 176.600 0.082 0.000 0.867 837 E CA -0.456 56.002 56.400 0.096 0.000 1.135 837 E CB 0.829 30.579 29.700 0.083 0.000 1.147 837 E HN 0.486 nan 8.360 nan 0.000 0.534 838 K N 3.217 123.659 120.400 0.070 0.000 2.292 838 K HA 0.046 4.367 4.320 0.001 0.000 0.290 838 K C -0.098 176.535 176.600 0.055 0.000 1.083 838 K CA -0.204 56.120 56.287 0.060 0.000 0.918 838 K CB 0.516 33.041 32.500 0.042 0.000 1.089 838 K HN 0.161 nan 8.250 nan 0.000 0.473 839 E N 3.487 123.730 120.200 0.072 0.000 2.392 839 E HA 0.265 4.616 4.350 0.001 0.000 0.256 839 E C -0.925 175.710 176.600 0.059 0.000 1.145 839 E CA -0.824 55.606 56.400 0.051 0.000 0.929 839 E CB 0.899 30.670 29.700 0.118 0.000 0.998 839 E HN 0.337 nan 8.360 nan 0.000 0.442 840 L N 1.808 123.043 121.223 0.020 0.000 2.526 840 L HA 0.406 4.747 4.340 0.001 0.000 0.263 840 L C -2.120 174.802 176.870 0.087 0.000 0.943 840 L CA -0.493 54.411 54.840 0.108 0.000 0.859 840 L CB 1.695 43.825 42.059 0.118 0.000 1.313 840 L HN 0.625 nan 8.230 nan 0.000 0.406 841 Y N 4.624 125.098 120.300 0.290 0.000 2.393 841 Y HA 0.777 5.328 4.550 0.001 0.000 0.341 841 Y C -0.645 175.438 175.900 0.304 0.000 0.988 841 Y CA -0.131 58.093 58.100 0.206 0.000 1.078 841 Y CB 1.639 40.119 38.460 0.033 0.000 1.203 841 Y HN 0.641 nan 8.280 nan 0.000 0.453 842 W N 1.529 122.982 121.300 0.254 0.000 3.074 842 W HA 0.750 5.411 4.660 0.001 0.000 0.332 842 W C -2.158 174.557 176.519 0.327 0.000 1.253 842 W CA -1.291 56.186 57.345 0.220 0.000 1.180 842 W CB 1.391 30.933 29.460 0.135 0.000 1.445 842 W HN 0.449 nan 8.180 nan 0.000 0.573 843 K N 0.621 121.310 120.400 0.483 0.000 2.409 843 K HA 0.735 5.056 4.320 0.001 0.000 0.252 843 K C 0.275 177.236 176.600 0.603 0.000 1.036 843 K CA -0.116 56.448 56.287 0.462 0.000 0.871 843 K CB 2.140 34.829 32.500 0.316 0.000 1.374 843 K HN 0.935 nan 8.250 nan 0.000 0.459 844 G N 0.032 109.195 108.800 0.605 0.000 2.496 844 G HA2 -0.201 3.760 3.960 0.001 0.000 0.243 844 G HA3 -0.201 3.760 3.960 0.001 0.000 0.243 844 G C -1.238 173.930 174.900 0.447 0.000 1.176 844 G CA -0.488 44.949 45.100 0.562 0.000 0.940 844 G HN 0.262 nan 8.290 nan 0.000 0.573 845 L N 0.000 121.344 121.223 0.202 0.000 2.949 845 L HA 0.000 4.341 4.340 0.001 0.000 0.249 845 L CA 0.000 54.799 54.840 -0.068 0.000 0.813 845 L CB 0.000 41.978 42.059 -0.135 0.000 0.961 845 L HN 0.000 nan 8.230 nan 0.000 0.502