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 2b7m_1_C DATA FIRST_RESID 73 DATA SEQUENCE SVKDLANEAS KYEIILQKGI NQVGLKQYTQ VVHKLDDXLE DIQSGQXXXX DATA SEQUENCE XNSEFHGILT HLEQLIKRSE AQLRVYFISI LNSIKPFDPQ INITKKXPFP DATA SEQUENCE YYEDQQLGAL SWILDYFHGN SEGSIIQDIL VGERSKLILK CXAFLEPFAK DATA SEQUENCE EXXXXXXXXX XXXSSGXNSY TEALLGFIAN EKSLVDDLYS QYTESKPHVL DATA SEQUENCE SQILSPLISA YAKLFGANLK IVRSNLENFG FFSFELVESI NDVKKSLRGK DATA SEQUENCE ELQNYNLLQD CTQEVRQVTQ SLFRDAIDRI IKKANSISTI PSNNGVTEAT DATA SEQUENCE VDTXSRLRKF SEYKNGCLGA XDNITRENWL PSNYKEKEYT LQNEALNWED DATA SEQUENCE HNVLLSCFIS DCIDTLAVNL ERKAQIALXP NQEPDVANPN SSKNKHKQRI DATA SEQUENCE GFFILXNLTL VEQIVEKSEL NLXLAGEGHS RLERLKKRYI SYXVSDWRDL DATA SEQUENCE TANLXXXXXX XXXXXXXXXX XQIKEKFRKF NEGFEDLVSK TKQYKLSDPS DATA SEQUENCE LKVTLKSEII SLVXPXYERF YSRYKDSFKN PRKHIKYTPD ELTTVLNQLV DATA SEQUENCE R 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 73 S HA 0.000 nan 4.470 nan 0.000 0.327 73 S C 0.000 174.491 174.600 -0.181 0.000 1.055 73 S CA 0.000 58.165 58.200 -0.059 0.000 1.107 73 S CB 0.000 63.212 63.200 0.019 0.000 0.593 74 V N 0.383 120.107 119.914 -0.317 0.000 3.406 74 V HA 0.378 4.499 4.120 0.001 0.000 0.263 74 V C 1.338 177.288 176.094 -0.240 0.000 1.172 74 V CA 0.931 62.966 62.300 -0.440 0.000 1.140 74 V CB -0.318 31.126 31.823 -0.632 0.000 0.784 74 V HN 0.170 nan 8.190 nan 0.000 0.467 75 K N 0.191 120.495 120.400 -0.160 0.000 2.348 75 K HA 0.171 4.491 4.320 0.001 0.000 0.194 75 K C 1.446 177.991 176.600 -0.092 0.000 1.052 75 K CA 0.672 56.891 56.287 -0.114 0.000 1.004 75 K CB -0.006 32.440 32.500 -0.089 0.000 0.873 75 K HN 0.497 nan 8.250 nan 0.000 0.523 76 D N 1.486 121.835 120.400 -0.085 0.000 2.077 76 D HA -0.114 4.527 4.640 0.001 0.000 0.196 76 D C 1.967 178.223 176.300 -0.074 0.000 0.986 76 D CA 0.828 54.788 54.000 -0.067 0.000 0.829 76 D CB 0.158 40.929 40.800 -0.049 0.000 0.983 76 D HN -0.047 nan 8.370 nan 0.000 0.453 77 L N 1.338 122.519 121.223 -0.070 0.000 1.990 77 L HA -0.191 4.150 4.340 0.001 0.000 0.213 77 L C 2.744 179.566 176.870 -0.081 0.000 1.072 77 L CA 1.475 56.276 54.840 -0.064 0.000 0.755 77 L CB -1.721 40.317 42.059 -0.036 0.000 0.889 77 L HN -0.036 nan 8.230 nan 0.000 0.432 78 A N 0.245 123.018 122.820 -0.077 0.000 1.903 78 A HA -0.299 4.022 4.320 0.001 0.000 0.219 78 A C 2.211 179.746 177.584 -0.081 0.000 1.191 78 A CA 2.225 54.222 52.037 -0.068 0.000 0.638 78 A CB -0.899 18.054 19.000 -0.079 0.000 0.823 78 A HN 0.569 nan 8.150 nan 0.000 0.451 79 N N -0.263 118.383 118.700 -0.089 0.000 2.223 79 N HA -0.191 4.550 4.740 0.001 0.000 0.185 79 N C 1.755 177.189 175.510 -0.126 0.000 1.016 79 N CA 1.756 54.751 53.050 -0.091 0.000 0.863 79 N CB -0.203 38.237 38.487 -0.078 0.000 0.983 79 N HN 0.757 nan 8.380 nan 0.000 0.429 80 E N -0.210 119.891 120.200 -0.166 0.000 2.122 80 E HA 0.005 4.356 4.350 0.001 0.000 0.190 80 E C 1.891 178.217 176.600 -0.458 0.000 0.977 80 E CA 0.626 56.858 56.400 -0.279 0.000 0.820 80 E CB -0.060 29.484 29.700 -0.260 0.000 0.770 80 E HN 0.372 nan 8.360 nan 0.000 0.462 81 A N 1.260 123.891 122.820 -0.314 0.000 1.873 81 A HA -0.281 4.040 4.320 0.001 0.000 0.218 81 A C 2.370 179.859 177.584 -0.157 0.000 1.193 81 A CA 2.516 54.404 52.037 -0.248 0.000 0.629 81 A CB -1.133 17.836 19.000 -0.052 0.000 0.826 81 A HN 0.478 nan 8.150 nan 0.000 0.447 82 S N 0.473 116.122 115.700 -0.085 0.000 2.372 82 S HA -0.330 4.140 4.470 0.001 0.000 0.227 82 S C 1.819 176.402 174.600 -0.029 0.000 1.044 82 S CA 1.820 60.007 58.200 -0.023 0.000 1.050 82 S CB -0.650 62.532 63.200 -0.030 0.000 0.901 82 S HN 0.646 nan 8.310 nan 0.000 0.447 83 K N 0.754 121.095 120.400 -0.099 0.000 2.059 83 K HA -0.180 4.141 4.320 0.001 0.000 0.212 83 K C 2.085 178.747 176.600 0.105 0.000 1.050 83 K CA 2.166 58.429 56.287 -0.041 0.000 0.927 83 K CB -0.527 31.904 32.500 -0.116 0.000 0.714 83 K HN 0.635 nan 8.250 nan 0.000 0.447 84 Y N 0.649 120.932 120.300 -0.029 0.000 2.133 84 Y HA -0.212 4.339 4.550 0.001 0.000 0.287 84 Y C 2.727 178.586 175.900 -0.068 0.000 1.134 84 Y CA 0.599 58.666 58.100 -0.056 0.000 1.133 84 Y CB -0.120 38.304 38.460 -0.061 0.000 0.987 84 Y HN 0.242 nan 8.280 nan 0.000 0.502 85 E N 1.177 121.453 120.200 0.126 0.000 2.130 85 E HA -0.235 4.115 4.350 0.001 0.000 0.196 85 E C 1.761 178.387 176.600 0.043 0.000 0.998 85 E CA 1.542 57.975 56.400 0.056 0.000 0.806 85 E CB -0.304 29.441 29.700 0.075 0.000 0.738 85 E HN 0.518 nan 8.360 nan 0.000 0.459 86 I N 0.835 121.434 120.570 0.049 0.000 2.916 86 I HA -0.204 3.967 4.170 0.001 0.000 0.267 86 I C 1.730 177.865 176.117 0.031 0.000 1.263 86 I CA 0.086 61.408 61.300 0.036 0.000 1.471 86 I CB -0.126 37.892 38.000 0.030 0.000 1.089 86 I HN 0.212 nan 8.210 nan 0.000 0.468 87 I N 0.338 120.925 120.570 0.028 0.000 2.522 87 I HA -0.091 4.080 4.170 0.001 0.000 0.240 87 I C 2.427 178.533 176.117 -0.018 0.000 1.078 87 I CA 1.185 62.486 61.300 0.002 0.000 1.422 87 I CB -1.040 36.949 38.000 -0.019 0.000 1.188 87 I HN 0.153 nan 8.210 nan 0.000 0.442 88 L N 0.614 121.782 121.223 -0.092 0.000 2.081 88 L HA -0.269 4.071 4.340 0.001 0.000 0.212 88 L C 2.644 179.566 176.870 0.086 0.000 1.080 88 L CA 1.456 56.223 54.840 -0.122 0.000 0.754 88 L CB -0.775 41.137 42.059 -0.246 0.000 0.893 88 L HN 0.405 nan 8.230 nan 0.000 0.433 89 Q N 0.974 120.799 119.800 0.043 0.000 2.197 89 Q HA -0.167 4.174 4.340 0.001 0.000 0.207 89 Q C 0.537 176.570 176.000 0.055 0.000 0.984 89 Q CA 1.302 57.136 55.803 0.052 0.000 0.869 89 Q CB 0.186 28.947 28.738 0.038 0.000 0.906 89 Q HN 0.439 nan 8.270 nan 0.000 0.426 90 K N 0.116 120.549 120.400 0.055 0.000 2.168 90 K HA 0.270 4.591 4.320 0.001 0.000 0.258 90 K C 0.035 176.667 176.600 0.052 0.000 1.010 90 K CA -0.104 56.208 56.287 0.041 0.000 0.929 90 K CB 0.754 33.272 32.500 0.029 0.000 0.998 90 K HN 0.208 nan 8.250 nan 0.000 0.479 91 G N 1.343 110.147 108.800 0.006 0.000 2.432 91 G HA2 -0.019 3.942 3.960 0.001 0.000 0.239 91 G HA3 -0.019 3.942 3.960 0.001 0.000 0.239 91 G C 1.034 175.863 174.900 -0.118 0.000 1.291 91 G CA -0.336 44.734 45.100 -0.050 0.000 0.863 91 G HN 0.659 nan 8.290 nan 0.000 0.560 92 I N 1.509 121.884 120.570 -0.326 0.000 2.208 92 I HA -0.258 3.912 4.170 0.001 0.000 0.245 92 I C 2.654 178.496 176.117 -0.458 0.000 1.097 92 I CA 1.668 62.608 61.300 -0.601 0.000 1.363 92 I CB -0.132 37.194 38.000 -1.122 0.000 1.051 92 I HN 0.649 nan 8.210 nan 0.000 0.413 93 N N 0.894 119.368 118.700 -0.377 0.000 2.272 93 N HA -0.275 4.466 4.740 0.001 0.000 0.185 93 N C 1.741 177.185 175.510 -0.109 0.000 1.014 93 N CA 1.199 54.131 53.050 -0.196 0.000 0.870 93 N CB -0.080 38.380 38.487 -0.044 0.000 0.975 93 N HN 0.351 nan 8.380 nan 0.000 0.433 94 Q N -0.350 119.393 119.800 -0.095 0.000 2.280 94 Q HA 0.166 4.506 4.340 0.001 0.000 0.202 94 Q C -0.882 175.094 176.000 -0.041 0.000 0.903 94 Q CA 0.107 55.881 55.803 -0.048 0.000 0.948 94 Q CB 0.498 29.219 28.738 -0.027 0.000 1.058 94 Q HN 0.140 nan 8.270 nan 0.000 0.493 95 V N 0.680 120.555 119.914 -0.065 0.000 2.703 95 V HA 0.264 4.385 4.120 0.001 0.000 0.290 95 V C 0.149 176.195 176.094 -0.079 0.000 1.035 95 V CA -0.394 61.882 62.300 -0.039 0.000 1.185 95 V CB 0.671 32.512 31.823 0.028 0.000 1.178 95 V HN 0.330 nan 8.190 nan 0.000 0.562 96 G N 2.370 111.116 108.800 -0.090 0.000 2.629 96 G HA2 -0.195 3.766 3.960 0.001 0.000 0.334 96 G HA3 -0.195 3.766 3.960 0.001 0.000 0.334 96 G C 0.990 175.778 174.900 -0.186 0.000 0.169 96 G CA 0.869 45.900 45.100 -0.115 0.000 1.174 96 G HN 0.847 nan 8.290 nan 0.000 0.506 97 L N 1.964 123.037 121.223 -0.250 0.000 2.272 97 L HA -0.353 3.987 4.340 0.001 0.000 0.233 97 L C 2.722 179.328 176.870 -0.440 0.000 1.125 97 L CA 3.261 57.889 54.840 -0.352 0.000 0.851 97 L CB -0.732 41.144 42.059 -0.305 0.000 0.933 97 L HN 0.725 nan 8.230 nan 0.000 0.452 98 K N -1.185 118.862 120.400 -0.588 0.000 2.059 98 K HA -0.266 4.054 4.320 0.001 0.000 0.212 98 K C 1.997 178.417 176.600 -0.301 0.000 1.050 98 K CA 2.271 58.095 56.287 -0.773 0.000 0.927 98 K CB -0.365 31.783 32.500 -0.587 0.000 0.714 98 K HN 0.633 nan 8.250 nan 0.000 0.447 99 Q N -0.176 119.520 119.800 -0.174 0.000 2.020 99 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 99 Q C 2.092 178.045 176.000 -0.078 0.000 0.982 99 Q CA 1.825 57.575 55.803 -0.087 0.000 0.838 99 Q CB -0.410 28.286 28.738 -0.070 0.000 0.899 99 Q HN 0.351 nan 8.270 nan 0.000 0.423 100 Y N 1.709 121.890 120.300 -0.200 0.000 2.102 100 Y HA -0.346 4.204 4.550 0.001 0.000 0.280 100 Y C 2.395 178.185 175.900 -0.184 0.000 1.178 100 Y CA 2.131 60.109 58.100 -0.203 0.000 1.146 100 Y CB -0.421 37.879 38.460 -0.265 0.000 0.968 100 Y HN 0.079 nan 8.280 nan 0.000 0.504 101 T N 0.426 114.989 114.554 0.015 0.000 2.580 101 T HA -0.310 4.041 4.350 0.001 0.000 0.265 101 T C 1.712 176.528 174.700 0.192 0.000 1.063 101 T CA 2.031 64.174 62.100 0.072 0.000 1.170 101 T CB -0.491 68.517 68.868 0.233 0.000 0.863 101 T HN 0.479 nan 8.240 nan 0.000 0.418 102 Q N 0.261 120.196 119.800 0.226 0.000 2.082 102 Q HA -0.162 4.179 4.340 0.001 0.000 0.211 102 Q C 2.560 178.577 176.000 0.029 0.000 1.002 102 Q CA 1.866 57.795 55.803 0.209 0.000 0.868 102 Q CB -0.777 28.004 28.738 0.073 0.000 0.931 102 Q HN 0.402 nan 8.270 nan 0.000 0.414 103 V N 0.393 120.205 119.914 -0.170 0.000 2.287 103 V HA -0.251 3.869 4.120 0.001 0.000 0.248 103 V C 2.320 178.235 176.094 -0.298 0.000 1.053 103 V CA 1.778 63.851 62.300 -0.380 0.000 1.027 103 V CB -0.805 30.744 31.823 -0.457 0.000 0.646 103 V HN 0.205 nan 8.190 nan 0.000 0.447 104 V N -0.425 119.336 119.914 -0.256 0.000 2.469 104 V HA -0.278 3.843 4.120 0.001 0.000 0.251 104 V C 2.414 178.451 176.094 -0.095 0.000 1.064 104 V CA 2.031 64.219 62.300 -0.186 0.000 1.066 104 V CB -1.018 30.708 31.823 -0.162 0.000 0.667 104 V HN 0.609 nan 8.190 nan 0.000 0.461 105 H N 1.216 120.286 119.070 0.000 0.000 2.256 105 H HA -0.099 4.457 4.556 0.001 0.000 0.299 105 H C 2.355 177.665 175.328 -0.031 0.000 1.071 105 H CA 1.778 57.824 56.048 -0.002 0.000 1.280 105 H CB -0.332 29.434 29.762 0.007 0.000 1.370 105 H HN 0.411 nan 8.280 nan 0.000 0.490 106 K N 0.500 120.940 120.400 0.066 0.000 2.293 106 K HA -0.154 4.167 4.320 0.001 0.000 0.204 106 K C 2.258 178.915 176.600 0.094 0.000 1.045 106 K CA 0.910 57.211 56.287 0.024 0.000 0.933 106 K CB -0.010 32.398 32.500 -0.153 0.000 0.736 106 K HN 0.211 nan 8.250 nan 0.000 0.463 107 L N 0.142 121.397 121.223 0.053 0.000 2.145 107 L HA -0.080 4.261 4.340 0.001 0.000 0.201 107 L C 2.238 179.145 176.870 0.062 0.000 1.075 107 L CA 0.671 55.566 54.840 0.091 0.000 0.773 107 L CB -0.259 41.827 42.059 0.045 0.000 0.936 107 L HN 0.136 nan 8.230 nan 0.000 0.451 108 D N 0.175 120.598 120.400 0.039 0.000 2.309 108 D HA -0.130 4.511 4.640 0.001 0.000 0.212 108 D C 0.515 176.846 176.300 0.052 0.000 0.968 108 D CA 0.633 54.655 54.000 0.036 0.000 0.882 108 D CB 0.103 40.913 40.800 0.016 0.000 0.918 108 D HN 0.264 nan 8.370 nan 0.000 0.503 112 E N -0.257 119.975 120.200 0.053 0.000 2.250 112 E HA -0.072 4.279 4.350 0.001 0.000 0.192 112 E C 0.542 177.171 176.600 0.048 0.000 0.986 112 E CA 0.870 57.298 56.400 0.046 0.000 0.849 112 E CB 0.207 29.930 29.700 0.038 0.000 0.797 112 E HN 0.518 nan 8.360 nan 0.000 0.482 113 D N 0.211 120.643 120.400 0.054 0.000 2.392 113 D HA -0.059 4.581 4.640 0.001 0.000 0.228 113 D C 1.294 177.634 176.300 0.066 0.000 1.003 113 D CA 0.765 54.798 54.000 0.055 0.000 0.917 113 D CB 0.376 41.211 40.800 0.057 0.000 0.890 113 D HN 0.390 nan 8.370 nan 0.000 0.532 114 I N -0.453 120.162 120.570 0.075 0.000 4.403 114 I HA -0.011 4.160 4.170 0.001 0.000 0.331 114 I C 1.893 178.056 176.117 0.077 0.000 1.327 114 I CA -0.011 61.350 61.300 0.102 0.000 1.175 114 I CB 0.394 38.479 38.000 0.141 0.000 1.165 114 I HN -0.240 nan 8.210 nan 0.000 0.413 115 Q N 0.879 120.713 119.800 0.057 0.000 2.269 115 Q HA -0.055 4.286 4.340 0.001 0.000 0.201 115 Q C 2.134 178.145 176.000 0.017 0.000 0.946 115 Q CA 1.626 57.451 55.803 0.038 0.000 0.877 115 Q CB 0.112 28.873 28.738 0.038 0.000 0.963 115 Q HN 0.514 nan 8.270 nan 0.000 0.472 116 S N -0.754 114.957 115.700 0.019 0.000 2.558 116 S HA 0.065 4.536 4.470 0.001 0.000 0.217 116 S C 1.319 175.918 174.600 -0.001 0.000 0.975 116 S CA 0.313 58.518 58.200 0.009 0.000 0.912 116 S CB 0.379 63.587 63.200 0.013 0.000 0.776 116 S HN 0.279 nan 8.310 nan 0.000 0.526 117 G N 0.766 109.565 108.800 -0.002 0.000 4.125 117 G HA2 0.462 4.422 3.960 0.001 0.000 0.301 117 G HA3 0.462 4.422 3.960 0.001 0.000 0.301 117 G C -0.137 174.719 174.900 -0.073 0.000 1.273 117 G CA -0.517 44.571 45.100 -0.019 0.000 1.095 117 G HN 0.430 nan 8.290 nan 0.000 0.582 125 S N -0.661 115.139 115.700 0.167 0.000 2.514 125 S HA 0.190 4.660 4.470 0.001 0.000 0.223 125 S C 0.973 175.701 174.600 0.213 0.000 1.046 125 S CA 0.134 58.422 58.200 0.147 0.000 0.914 125 S CB 0.662 63.924 63.200 0.103 0.000 0.807 125 S HN 0.350 nan 8.310 nan 0.000 0.497 126 E N -0.063 120.319 120.200 0.302 0.000 2.434 126 E HA 0.296 4.646 4.350 0.001 0.000 0.207 126 E C 0.782 177.511 176.600 0.216 0.000 0.929 126 E CA -0.087 56.434 56.400 0.202 0.000 1.001 126 E CB -0.062 29.691 29.700 0.089 0.000 1.016 126 E HN 0.359 nan 8.360 nan 0.000 0.502 127 F N 1.158 121.148 119.950 0.066 0.000 2.154 127 F HA -0.237 4.290 4.527 0.001 0.000 0.301 127 F C 2.398 178.248 175.800 0.083 0.000 1.087 127 F CA 1.754 59.790 58.000 0.060 0.000 1.274 127 F CB -0.903 38.132 39.000 0.059 0.000 1.009 127 F HN 0.206 nan 8.300 nan 0.000 0.485 128 H N -0.070 119.140 119.070 0.234 0.000 2.390 128 H HA -0.104 4.453 4.556 0.001 0.000 0.298 128 H C 2.382 177.767 175.328 0.095 0.000 1.106 128 H CA 1.517 57.645 56.048 0.132 0.000 1.297 128 H CB -0.775 29.045 29.762 0.097 0.000 1.375 128 H HN 0.207 nan 8.280 nan 0.000 0.509 129 G N 0.425 109.212 108.800 -0.022 0.000 2.511 129 G HA2 -0.280 3.680 3.960 0.001 0.000 0.216 129 G HA3 -0.280 3.680 3.960 0.001 0.000 0.216 129 G C 1.742 176.587 174.900 -0.092 0.000 1.218 129 G CA 1.028 46.065 45.100 -0.106 0.000 0.788 129 G HN 0.482 nan 8.290 nan 0.000 0.560 130 I N 0.244 120.790 120.570 -0.039 0.000 2.353 130 I HA 0.037 4.208 4.170 0.001 0.000 0.248 130 I C 2.417 178.564 176.117 0.050 0.000 1.119 130 I CA 0.500 61.800 61.300 -0.001 0.000 1.417 130 I CB -0.285 37.700 38.000 -0.026 0.000 1.078 130 I HN 0.157 nan 8.210 nan 0.000 0.421 131 L N 0.255 121.504 121.223 0.044 0.000 1.978 131 L HA -0.285 4.055 4.340 0.001 0.000 0.218 131 L C 2.449 179.342 176.870 0.038 0.000 1.075 131 L CA 2.717 57.598 54.840 0.067 0.000 0.767 131 L CB -1.439 40.691 42.059 0.118 0.000 0.890 131 L HN 0.296 nan 8.230 nan 0.000 0.434 132 T N -1.635 112.902 114.554 -0.027 0.000 2.737 132 T HA -0.307 4.043 4.350 0.001 0.000 0.269 132 T C 1.796 176.513 174.700 0.028 0.000 1.040 132 T CA 1.775 63.856 62.100 -0.032 0.000 1.142 132 T CB -0.615 68.162 68.868 -0.151 0.000 0.861 132 T HN 0.620 nan 8.240 nan 0.000 0.456 133 H N 0.501 119.539 119.070 -0.052 0.000 2.457 133 H HA -0.012 4.545 4.556 0.001 0.000 0.297 133 H C 1.742 177.066 175.328 -0.006 0.000 1.092 133 H CA 1.087 57.118 56.048 -0.029 0.000 1.309 133 H CB -0.377 29.364 29.762 -0.035 0.000 1.382 133 H HN 0.182 nan 8.280 nan 0.000 0.535 134 L N 0.381 121.572 121.223 -0.053 0.000 2.023 134 L HA -0.048 4.292 4.340 0.001 0.000 0.205 134 L C 2.586 179.417 176.870 -0.064 0.000 1.073 134 L CA 1.946 56.737 54.840 -0.083 0.000 0.745 134 L CB -1.032 41.028 42.059 0.002 0.000 0.900 134 L HN 0.361 nan 8.230 nan 0.000 0.435 135 E N -0.854 119.336 120.200 -0.016 0.000 2.147 135 E HA -0.285 4.066 4.350 0.001 0.000 0.199 135 E C 2.128 178.719 176.600 -0.014 0.000 1.005 135 E CA 1.350 57.752 56.400 0.002 0.000 0.810 135 E CB 0.139 29.854 29.700 0.025 0.000 0.736 135 E HN 0.439 nan 8.360 nan 0.000 0.460 136 Q N 0.095 119.871 119.800 -0.039 0.000 1.990 136 Q HA -0.149 4.191 4.340 0.001 0.000 0.200 136 Q C 2.372 178.326 176.000 -0.076 0.000 0.980 136 Q CA 0.824 56.601 55.803 -0.042 0.000 0.832 136 Q CB -0.660 28.059 28.738 -0.033 0.000 0.897 136 Q HN 0.311 nan 8.270 nan 0.000 0.427 137 L N 1.050 122.165 121.223 -0.179 0.000 2.129 137 L HA -0.159 4.182 4.340 0.001 0.000 0.212 137 L C 2.010 178.833 176.870 -0.078 0.000 1.087 137 L CA 1.379 56.117 54.840 -0.171 0.000 0.757 137 L CB -0.571 41.312 42.059 -0.292 0.000 0.896 137 L HN 0.158 nan 8.230 nan 0.000 0.434 138 I N -0.957 119.579 120.570 -0.055 0.000 2.130 138 I HA -0.290 3.880 4.170 0.001 0.000 0.234 138 I C 2.468 178.602 176.117 0.028 0.000 1.067 138 I CA 1.191 62.484 61.300 -0.012 0.000 1.339 138 I CB -0.508 37.494 38.000 0.003 0.000 1.073 138 I HN 0.143 nan 8.210 nan 0.000 0.405 139 K N 0.514 120.934 120.400 0.033 0.000 2.052 139 K HA -0.307 4.013 4.320 0.001 0.000 0.215 139 K C 2.303 178.940 176.600 0.061 0.000 1.053 139 K CA 1.967 58.288 56.287 0.056 0.000 0.934 139 K CB -0.377 32.148 32.500 0.041 0.000 0.717 139 K HN 0.236 nan 8.250 nan 0.000 0.450 140 R N 0.626 121.150 120.500 0.040 0.000 2.080 140 R HA -0.151 4.190 4.340 0.001 0.000 0.236 140 R C 2.394 178.739 176.300 0.074 0.000 1.137 140 R CA 2.069 58.197 56.100 0.046 0.000 0.943 140 R CB -0.217 30.100 30.300 0.028 0.000 0.846 140 R HN 0.078 nan 8.270 nan 0.000 0.431 141 S N 0.610 116.359 115.700 0.083 0.000 2.353 141 S HA -0.150 4.320 4.470 0.001 0.000 0.222 141 S C 1.646 176.342 174.600 0.160 0.000 1.035 141 S CA 1.545 59.842 58.200 0.162 0.000 1.025 141 S CB -0.207 63.046 63.200 0.089 0.000 0.902 141 S HN 0.438 nan 8.310 nan 0.000 0.440 142 E N 1.214 121.491 120.200 0.128 0.000 2.070 142 E HA -0.202 4.148 4.350 0.001 0.000 0.197 142 E C 2.367 179.094 176.600 0.210 0.000 1.004 142 E CA 1.173 57.680 56.400 0.178 0.000 0.805 142 E CB -0.332 29.532 29.700 0.274 0.000 0.744 142 E HN 0.519 nan 8.360 nan 0.000 0.451 143 A N 1.403 124.308 122.820 0.142 0.000 1.948 143 A HA -0.274 4.047 4.320 0.001 0.000 0.220 143 A C 2.035 179.668 177.584 0.082 0.000 1.177 143 A CA 1.587 53.683 52.037 0.098 0.000 0.636 143 A CB -0.504 18.535 19.000 0.065 0.000 0.815 143 A HN 0.235 nan 8.150 nan 0.000 0.449 144 Q N -0.796 119.040 119.800 0.060 0.000 2.297 144 Q HA 0.026 4.366 4.340 0.001 0.000 0.204 144 Q C 1.925 177.925 176.000 0.000 0.000 0.962 144 Q CA 0.785 56.591 55.803 0.005 0.000 0.879 144 Q CB -0.200 28.501 28.738 -0.061 0.000 0.947 144 Q HN 0.700 nan 8.270 nan 0.000 0.462 145 L N -0.126 121.120 121.223 0.037 0.000 2.044 145 L HA -0.147 4.193 4.340 0.001 0.000 0.205 145 L C 2.401 179.416 176.870 0.241 0.000 1.075 145 L CA 1.042 55.930 54.840 0.080 0.000 0.747 145 L CB -0.249 41.814 42.059 0.007 0.000 0.903 145 L HN 0.148 nan 8.230 nan 0.000 0.435 146 R N -0.550 120.079 120.500 0.216 0.000 2.083 146 R HA -0.165 4.176 4.340 0.001 0.000 0.237 146 R C 2.197 178.614 176.300 0.195 0.000 1.137 146 R CA 1.494 57.676 56.100 0.137 0.000 0.951 146 R CB -0.678 29.626 30.300 0.006 0.000 0.851 146 R HN 0.183 nan 8.270 nan 0.000 0.434 147 V N 0.182 120.179 119.914 0.139 0.000 2.261 147 V HA -0.291 3.829 4.120 0.001 0.000 0.246 147 V C 1.997 178.181 176.094 0.151 0.000 1.047 147 V CA 1.869 64.237 62.300 0.114 0.000 1.015 147 V CB -0.691 31.179 31.823 0.077 0.000 0.642 147 V HN 0.276 nan 8.190 nan 0.000 0.446 148 Y N 0.037 120.352 120.300 0.025 0.000 2.114 148 Y HA -0.311 4.240 4.550 0.001 0.000 0.282 148 Y C 2.288 178.241 175.900 0.088 0.000 1.165 148 Y CA 1.634 59.739 58.100 0.009 0.000 1.148 148 Y CB -0.683 37.742 38.460 -0.058 0.000 0.972 148 Y HN 0.254 nan 8.280 nan 0.000 0.504 149 F N 0.450 120.425 119.950 0.042 0.000 2.025 149 F HA -0.325 4.203 4.527 0.001 0.000 0.297 149 F C 2.277 178.040 175.800 -0.062 0.000 1.132 149 F CA 2.194 60.186 58.000 -0.013 0.000 1.191 149 F CB -0.964 38.074 39.000 0.063 0.000 0.963 149 F HN 0.042 nan 8.300 nan 0.000 0.481 150 I N -0.717 119.841 120.570 -0.021 0.000 2.264 150 I HA -0.357 3.814 4.170 0.001 0.000 0.248 150 I C 2.720 178.753 176.117 -0.141 0.000 1.111 150 I CA 1.573 62.799 61.300 -0.123 0.000 1.382 150 I CB -0.999 36.992 38.000 -0.014 0.000 1.060 150 I HN 0.269 nan 8.210 nan 0.000 0.418 151 S N 1.426 117.057 115.700 -0.115 0.000 2.359 151 S HA -0.194 4.277 4.470 0.001 0.000 0.224 151 S C 2.043 176.531 174.600 -0.187 0.000 1.035 151 S CA 1.516 59.637 58.200 -0.131 0.000 1.018 151 S CB -0.360 62.763 63.200 -0.128 0.000 0.876 151 S HN 0.349 nan 8.310 nan 0.000 0.448 152 I N 1.385 121.784 120.570 -0.286 0.000 2.099 152 I HA -0.216 3.954 4.170 0.001 0.000 0.239 152 I C 2.375 178.442 176.117 -0.083 0.000 1.066 152 I CA 1.441 62.596 61.300 -0.241 0.000 1.324 152 I CB -0.609 37.211 38.000 -0.299 0.000 1.037 152 I HN 0.303 nan 8.210 nan 0.000 0.401 153 L N 0.685 121.817 121.223 -0.152 0.000 2.137 153 L HA -0.265 4.076 4.340 0.001 0.000 0.213 153 L C 1.890 178.795 176.870 0.059 0.000 1.085 153 L CA 1.372 56.226 54.840 0.023 0.000 0.760 153 L CB -0.716 41.221 42.059 -0.203 0.000 0.893 153 L HN 0.423 nan 8.230 nan 0.000 0.434 154 N N -0.559 118.111 118.700 -0.050 0.000 2.398 154 N HA -0.045 4.695 4.740 0.001 0.000 0.188 154 N C 1.704 177.164 175.510 -0.083 0.000 1.122 154 N CA 0.892 53.905 53.050 -0.062 0.000 0.866 154 N CB 0.196 38.647 38.487 -0.060 0.000 0.970 154 N HN 0.341 nan 8.380 nan 0.000 0.462 155 S N 0.290 115.930 115.700 -0.101 0.000 2.584 155 S HA 0.020 4.490 4.470 0.001 0.000 0.240 155 S C 0.832 175.341 174.600 -0.152 0.000 0.975 155 S CA 0.336 58.467 58.200 -0.115 0.000 0.949 155 S CB -0.484 62.651 63.200 -0.108 0.000 0.761 155 S HN 0.220 nan 8.310 nan 0.000 0.536 156 I N 0.880 121.339 120.570 -0.186 0.000 2.862 156 I HA 0.329 4.499 4.170 0.001 0.000 0.285 156 I C -0.553 175.536 176.117 -0.047 0.000 1.339 156 I CA -0.884 60.315 61.300 -0.168 0.000 1.002 156 I CB 0.750 38.541 38.000 -0.348 0.000 1.618 156 I HN -0.130 nan 8.210 nan 0.000 0.593 157 K N 3.760 124.153 120.400 -0.011 0.000 2.561 157 K HA 0.085 4.405 4.320 0.001 0.000 0.280 157 K C -2.209 174.447 176.600 0.093 0.000 0.975 157 K CA -0.694 55.608 56.287 0.024 0.000 1.024 157 K CB -0.058 32.458 32.500 0.026 0.000 0.883 157 K HN 0.102 nan 8.250 nan 0.000 0.496 158 P HA -0.034 nan 4.420 nan 0.000 0.267 158 P C -0.957 176.398 177.300 0.091 0.000 1.195 158 P CA 0.367 63.450 63.100 -0.028 0.000 0.773 158 P CB 0.259 31.950 31.700 -0.014 0.000 0.837 159 F N -1.355 118.626 119.950 0.052 0.000 2.662 159 F HA 0.523 5.051 4.527 0.001 0.000 0.312 159 F C -0.828 174.762 175.800 -0.349 0.000 1.113 159 F CA -1.810 56.102 58.000 -0.146 0.000 0.951 159 F CB 0.685 39.596 39.000 -0.149 0.000 1.344 159 F HN 0.070 nan 8.300 nan 0.000 0.462 160 D N 2.892 122.996 120.400 -0.495 0.000 2.325 160 D HA 0.341 4.981 4.640 0.001 0.000 0.251 160 D C -1.662 174.648 176.300 0.017 0.000 1.196 160 D CA -2.158 51.472 54.000 -0.617 0.000 0.866 160 D CB 1.329 41.678 40.800 -0.751 0.000 1.101 160 D HN 0.350 nan 8.370 nan 0.000 0.476 161 P HA -0.091 nan 4.420 nan 0.000 0.240 161 P C 1.134 178.529 177.300 0.159 0.000 1.190 161 P CA 0.243 63.490 63.100 0.245 0.000 0.781 161 P CB 0.436 32.246 31.700 0.184 0.000 0.931 162 Q N 0.502 120.328 119.800 0.043 0.000 2.268 162 Q HA -0.190 4.151 4.340 0.001 0.000 0.213 162 Q C 1.836 177.844 176.000 0.013 0.000 0.995 162 Q CA 1.646 57.444 55.803 -0.009 0.000 0.901 162 Q CB -0.925 27.739 28.738 -0.123 0.000 0.921 162 Q HN 0.156 nan 8.270 nan 0.000 0.421 163 I N -0.014 120.568 120.570 0.019 0.000 2.400 163 I HA -0.123 4.048 4.170 0.001 0.000 0.248 163 I C 1.217 177.355 176.117 0.035 0.000 1.109 163 I CA 0.957 62.264 61.300 0.012 0.000 1.425 163 I CB -1.233 36.758 38.000 -0.016 0.000 1.094 163 I HN 0.255 nan 8.210 nan 0.000 0.425 164 N N 0.880 119.638 118.700 0.095 0.000 2.443 164 N HA -0.135 4.605 4.740 0.001 0.000 0.184 164 N C 1.583 177.117 175.510 0.039 0.000 1.037 164 N CA 0.948 54.057 53.050 0.098 0.000 0.896 164 N CB -0.020 38.656 38.487 0.315 0.000 0.959 164 N HN 0.244 nan 8.380 nan 0.000 0.442 165 I N 0.076 120.684 120.570 0.065 0.000 2.364 165 I HA -0.062 4.109 4.170 0.001 0.000 0.241 165 I C 1.908 178.036 176.117 0.018 0.000 1.082 165 I CA 1.066 62.387 61.300 0.036 0.000 1.401 165 I CB -1.476 36.566 38.000 0.069 0.000 1.126 165 I HN 0.076 nan 8.210 nan 0.000 0.429 166 T N 2.031 116.599 114.554 0.022 0.000 2.607 166 T HA -0.151 4.199 4.350 0.001 0.000 0.267 166 T C 1.385 176.087 174.700 0.003 0.000 1.049 166 T CA 1.332 63.441 62.100 0.015 0.000 1.162 166 T CB -0.153 68.723 68.868 0.014 0.000 0.863 166 T HN 0.088 nan 8.240 nan 0.000 0.424 167 K N 1.855 122.252 120.400 -0.005 0.000 2.708 167 K HA 0.257 4.578 4.320 0.001 0.000 0.219 167 K C 0.412 176.996 176.600 -0.027 0.000 1.068 167 K CA -0.102 56.176 56.287 -0.015 0.000 1.212 167 K CB -0.303 32.186 32.500 -0.017 0.000 0.978 167 K HN 0.452 nan 8.250 nan 0.000 0.475 171 F N 0.587 120.475 119.950 -0.104 0.000 2.382 171 F HA 0.361 4.889 4.527 0.001 0.000 0.331 171 F C -1.443 174.320 175.800 -0.061 0.000 1.121 171 F CA -1.818 56.121 58.000 -0.101 0.000 1.183 171 F CB 0.825 39.807 39.000 -0.030 0.000 1.207 171 F HN 0.000 nan 8.300 nan 0.000 0.555 172 P HA 0.003 nan 4.420 nan 0.000 0.269 172 P C -1.601 175.807 177.300 0.181 0.000 1.209 172 P CA 0.271 63.369 63.100 -0.004 0.000 0.776 172 P CB 0.408 31.989 31.700 -0.198 0.000 0.876 173 Y N 1.218 121.525 120.300 0.011 0.000 2.553 173 Y HA 0.412 4.963 4.550 0.001 0.000 0.347 173 Y C -0.659 175.268 175.900 0.045 0.000 1.019 173 Y CA -1.127 57.025 58.100 0.087 0.000 1.032 173 Y CB 1.069 39.607 38.460 0.130 0.000 1.284 173 Y HN 0.281 nan 8.280 nan 0.000 0.466 174 Y N 2.899 122.986 120.300 -0.355 0.000 2.610 174 Y HA 0.059 4.609 4.550 0.001 0.000 0.332 174 Y C 0.864 176.791 175.900 0.045 0.000 1.201 174 Y CA 0.136 58.127 58.100 -0.181 0.000 1.465 174 Y CB 0.185 38.465 38.460 -0.300 0.000 1.283 174 Y HN 0.495 nan 8.280 nan 0.000 0.563 175 E N 2.324 122.627 120.200 0.171 0.000 2.428 175 E HA -0.096 4.255 4.350 0.001 0.000 0.257 175 E C 0.390 177.095 176.600 0.176 0.000 1.197 175 E CA -0.204 56.291 56.400 0.159 0.000 0.974 175 E CB 0.550 30.305 29.700 0.091 0.000 0.976 175 E HN 0.670 nan 8.360 nan 0.000 0.463 176 D N 0.997 121.487 120.400 0.149 0.000 2.088 176 D HA -0.238 4.402 4.640 0.001 0.000 0.191 176 D C 1.804 178.176 176.300 0.121 0.000 0.992 176 D CA 1.363 55.446 54.000 0.138 0.000 0.831 176 D CB -0.257 40.608 40.800 0.109 0.000 0.973 176 D HN 0.510 nan 8.370 nan 0.000 0.447 177 Q N 0.642 120.502 119.800 0.101 0.000 2.173 177 Q HA -0.263 4.078 4.340 0.001 0.000 0.208 177 Q C 2.099 178.158 176.000 0.100 0.000 0.989 177 Q CA 1.609 57.469 55.803 0.094 0.000 0.872 177 Q CB 0.014 28.797 28.738 0.075 0.000 0.909 177 Q HN 0.388 nan 8.270 nan 0.000 0.420 178 Q N -0.072 119.787 119.800 0.098 0.000 2.050 178 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 178 Q C 2.313 178.362 176.000 0.082 0.000 0.980 178 Q CA 1.483 57.339 55.803 0.088 0.000 0.840 178 Q CB -0.102 28.710 28.738 0.123 0.000 0.898 178 Q HN 0.434 nan 8.270 nan 0.000 0.424 179 L N 0.073 121.349 121.223 0.088 0.000 2.012 179 L HA -0.181 4.159 4.340 0.001 0.000 0.210 179 L C 2.468 179.405 176.870 0.112 0.000 1.073 179 L CA 1.304 56.184 54.840 0.066 0.000 0.748 179 L CB -1.058 41.061 42.059 0.100 0.000 0.891 179 L HN 0.361 nan 8.230 nan 0.000 0.431 180 G N -0.332 108.551 108.800 0.137 0.000 2.529 180 G HA2 -0.355 3.606 3.960 0.001 0.000 0.219 180 G HA3 -0.355 3.606 3.960 0.001 0.000 0.219 180 G C 1.719 176.768 174.900 0.248 0.000 1.177 180 G CA 1.202 46.411 45.100 0.182 0.000 0.773 180 G HN 0.506 nan 8.290 nan 0.000 0.573 181 A N 0.707 123.656 122.820 0.214 0.000 1.841 181 A HA -0.021 4.299 4.320 0.001 0.000 0.216 181 A C 2.507 180.282 177.584 0.318 0.000 1.199 181 A CA 1.708 53.895 52.037 0.249 0.000 0.621 181 A CB -0.733 18.374 19.000 0.178 0.000 0.835 181 A HN 0.376 nan 8.150 nan 0.000 0.445 182 L N -0.479 120.899 121.223 0.259 0.000 2.010 182 L HA -0.283 4.058 4.340 0.001 0.000 0.219 182 L C 2.950 180.022 176.870 0.336 0.000 1.077 182 L CA 1.919 56.990 54.840 0.386 0.000 0.773 182 L CB -0.686 41.468 42.059 0.159 0.000 0.892 182 L HN 0.553 nan 8.230 nan 0.000 0.436 183 S N -0.762 115.058 115.700 0.200 0.000 2.365 183 S HA -0.258 4.213 4.470 0.001 0.000 0.225 183 S C 1.797 176.480 174.600 0.137 0.000 1.039 183 S CA 1.446 59.704 58.200 0.095 0.000 1.033 183 S CB -0.477 62.770 63.200 0.079 0.000 0.887 183 S HN 0.536 nan 8.310 nan 0.000 0.447 184 W N 1.954 123.299 121.300 0.075 0.000 2.311 184 W HA -0.164 4.496 4.660 0.000 0.000 0.326 184 W C 1.969 178.539 176.519 0.084 0.000 1.239 184 W CA 1.685 59.081 57.345 0.086 0.000 1.258 184 W CB -1.136 28.383 29.460 0.098 0.000 1.165 184 W HN 0.389 nan 8.180 nan 0.000 0.466 185 I N 0.563 121.435 120.570 0.503 0.000 2.248 185 I HA -0.376 3.795 4.170 0.001 0.000 0.248 185 I C 2.645 178.844 176.117 0.137 0.000 1.107 185 I CA 1.217 62.688 61.300 0.286 0.000 1.373 185 I CB -0.856 37.262 38.000 0.197 0.000 1.055 185 I HN -0.016 nan 8.210 nan 0.000 0.418 186 L N 0.223 121.465 121.223 0.031 0.000 2.017 186 L HA -0.259 4.081 4.340 0.001 0.000 0.208 186 L C 2.508 179.412 176.870 0.057 0.000 1.073 186 L CA 1.618 56.437 54.840 -0.036 0.000 0.745 186 L CB -0.652 41.349 42.059 -0.097 0.000 0.894 186 L HN 0.384 nan 8.230 nan 0.000 0.432 187 D N -0.540 119.862 120.400 0.003 0.000 2.104 187 D HA -0.302 4.338 4.640 0.001 0.000 0.194 187 D C 2.094 178.411 176.300 0.028 0.000 0.994 187 D CA 1.525 55.518 54.000 -0.012 0.000 0.830 187 D CB -0.134 40.577 40.800 -0.149 0.000 0.959 187 D HN 0.326 nan 8.370 nan 0.000 0.452 188 Y N 0.112 120.362 120.300 -0.084 0.000 2.102 188 Y HA -0.311 4.240 4.550 0.001 0.000 0.280 188 Y C 2.137 177.884 175.900 -0.256 0.000 1.178 188 Y CA 2.192 60.206 58.100 -0.143 0.000 1.146 188 Y CB -0.623 37.712 38.460 -0.208 0.000 0.968 188 Y HN -0.035 nan 8.280 nan 0.000 0.504 189 F N -1.617 118.392 119.950 0.098 0.000 2.147 189 F HA -0.135 4.393 4.527 0.001 0.000 0.291 189 F C 2.589 178.326 175.800 -0.106 0.000 1.093 189 F CA 1.308 59.279 58.000 -0.049 0.000 1.263 189 F CB -0.769 38.160 39.000 -0.119 0.000 1.036 189 F HN 0.040 nan 8.300 nan 0.000 0.481 190 H N -0.302 118.843 119.070 0.125 0.000 2.492 190 H HA -0.091 4.466 4.556 0.001 0.000 0.296 190 H C 2.171 177.558 175.328 0.097 0.000 1.095 190 H CA 1.285 57.382 56.048 0.082 0.000 1.281 190 H CB -0.719 29.022 29.762 -0.036 0.000 1.374 190 H HN 0.315 nan 8.280 nan 0.000 0.545 191 G N -0.359 108.522 108.800 0.135 0.000 3.181 191 G HA2 -0.084 3.877 3.960 0.001 0.000 0.219 191 G HA3 -0.084 3.877 3.960 0.001 0.000 0.219 191 G C 0.897 175.780 174.900 -0.028 0.000 1.182 191 G CA -0.144 44.983 45.100 0.045 0.000 0.791 191 G HN 0.288 nan 8.290 nan 0.000 0.537 192 N N 0.481 119.172 118.700 -0.015 0.000 2.240 192 N HA 0.017 4.757 4.740 0.001 0.000 0.240 192 N C 1.016 176.545 175.510 0.032 0.000 1.277 192 N CA 0.714 53.745 53.050 -0.031 0.000 0.873 192 N CB 0.772 39.201 38.487 -0.097 0.000 1.222 192 N HN 0.304 nan 8.380 nan 0.000 0.507 193 S N 0.702 116.439 115.700 0.062 0.000 3.533 193 S HA -0.254 4.217 4.470 0.001 0.000 0.347 193 S C 0.365 175.002 174.600 0.062 0.000 1.101 193 S CA 1.649 59.892 58.200 0.071 0.000 1.009 193 S CB -2.324 60.907 63.200 0.051 0.000 0.916 193 S HN 0.758 nan 8.310 nan 0.000 0.496 194 E N -1.561 118.677 120.200 0.063 0.000 3.067 194 E HA 0.429 4.780 4.350 0.001 0.000 0.188 194 E C 1.097 177.680 176.600 -0.028 0.000 0.964 194 E CA -0.202 56.221 56.400 0.038 0.000 1.286 194 E CB 0.020 29.763 29.700 0.071 0.000 1.051 194 E HN 0.399 nan 8.360 nan 0.000 0.465 195 G N 1.454 110.203 108.800 -0.085 0.000 2.813 195 G HA2 -0.183 3.778 3.960 0.001 0.000 0.209 195 G HA3 -0.183 3.778 3.960 0.001 0.000 0.209 195 G C 1.527 176.241 174.900 -0.311 0.000 1.150 195 G CA 0.630 45.495 45.100 -0.392 0.000 0.785 195 G HN 0.343 nan 8.290 nan 0.000 0.535 196 S N 0.117 115.767 115.700 -0.083 0.000 2.528 196 S HA 0.001 4.471 4.470 0.001 0.000 0.244 196 S C 1.994 176.568 174.600 -0.044 0.000 0.982 196 S CA 0.689 58.890 58.200 0.002 0.000 0.953 196 S CB -0.247 62.976 63.200 0.038 0.000 0.754 196 S HN 0.407 nan 8.310 nan 0.000 0.529 197 I N -0.067 120.426 120.570 -0.129 0.000 2.512 197 I HA 0.151 4.322 4.170 0.001 0.000 0.247 197 I C 2.210 178.211 176.117 -0.192 0.000 1.094 197 I CA 0.311 61.521 61.300 -0.150 0.000 1.427 197 I CB -0.317 37.561 38.000 -0.205 0.000 1.149 197 I HN 0.226 nan 8.210 nan 0.000 0.438 198 I N 1.305 121.666 120.570 -0.348 0.000 2.502 198 I HA -0.316 3.854 4.170 0.001 0.000 0.258 198 I C 2.410 178.469 176.117 -0.097 0.000 1.172 198 I CA 1.625 62.704 61.300 -0.369 0.000 1.430 198 I CB -0.326 37.328 38.000 -0.576 0.000 1.086 198 I HN 0.267 nan 8.210 nan 0.000 0.440 199 Q N 0.226 119.994 119.800 -0.052 0.000 1.994 199 Q HA -0.201 4.139 4.340 0.001 0.000 0.198 199 Q C 1.938 177.988 176.000 0.084 0.000 0.976 199 Q CA 2.003 57.869 55.803 0.106 0.000 0.828 199 Q CB -0.180 28.650 28.738 0.152 0.000 0.894 199 Q HN 0.456 nan 8.270 nan 0.000 0.432 200 D N 0.339 120.759 120.400 0.034 0.000 2.149 200 D HA -0.206 4.435 4.640 0.001 0.000 0.194 200 D C 1.924 178.243 176.300 0.033 0.000 1.001 200 D CA 1.659 55.672 54.000 0.021 0.000 0.849 200 D CB -0.176 40.624 40.800 0.000 0.000 0.939 200 D HN 0.407 nan 8.370 nan 0.000 0.449 201 I N 0.490 121.089 120.570 0.049 0.000 2.113 201 I HA -0.249 3.922 4.170 0.001 0.000 0.238 201 I C 2.529 178.715 176.117 0.116 0.000 1.070 201 I CA 0.454 61.805 61.300 0.085 0.000 1.332 201 I CB -0.423 37.664 38.000 0.145 0.000 1.044 201 I HN 0.004 nan 8.210 nan 0.000 0.402 202 L N 1.041 122.406 121.223 0.236 0.000 2.034 202 L HA -0.229 4.112 4.340 0.001 0.000 0.217 202 L C 2.348 179.260 176.870 0.068 0.000 1.077 202 L CA 1.997 56.954 54.840 0.196 0.000 0.769 202 L CB -0.715 41.542 42.059 0.329 0.000 0.890 202 L HN 0.037 nan 8.230 nan 0.000 0.435 203 V N -0.130 119.822 119.914 0.063 0.000 2.323 203 V HA -0.115 4.006 4.120 0.001 0.000 0.244 203 V C 2.632 178.721 176.094 -0.008 0.000 1.041 203 V CA 1.567 63.875 62.300 0.014 0.000 1.025 203 V CB -1.612 30.209 31.823 -0.004 0.000 0.656 203 V HN 0.626 nan 8.190 nan 0.000 0.451 204 G N -0.304 108.495 108.800 -0.002 0.000 2.586 204 G HA2 -0.343 3.618 3.960 0.001 0.000 0.218 204 G HA3 -0.343 3.618 3.960 0.001 0.000 0.218 204 G C 1.427 176.309 174.900 -0.029 0.000 1.216 204 G CA 1.362 46.452 45.100 -0.016 0.000 0.786 204 G HN 0.475 nan 8.290 nan 0.000 0.583 205 E N 0.085 120.267 120.200 -0.029 0.000 2.021 205 E HA -0.131 4.219 4.350 0.001 0.000 0.200 205 E C 2.808 179.379 176.600 -0.048 0.000 1.015 205 E CA 0.937 57.309 56.400 -0.046 0.000 0.824 205 E CB -0.198 29.461 29.700 -0.069 0.000 0.762 205 E HN 0.096 nan 8.360 nan 0.000 0.454 206 R N 0.248 120.725 120.500 -0.039 0.000 2.162 206 R HA -0.197 4.144 4.340 0.001 0.000 0.245 206 R C 2.580 178.845 176.300 -0.058 0.000 1.129 206 R CA 1.965 58.050 56.100 -0.025 0.000 0.940 206 R CB -1.674 28.619 30.300 -0.013 0.000 0.875 206 R HN 0.428 nan 8.270 nan 0.000 0.437 207 S N 0.711 116.373 115.700 -0.062 0.000 2.368 207 S HA -0.121 4.350 4.470 0.001 0.000 0.225 207 S C 1.867 176.400 174.600 -0.110 0.000 1.030 207 S CA 1.206 59.353 58.200 -0.088 0.000 0.999 207 S CB -0.194 62.967 63.200 -0.066 0.000 0.844 207 S HN 0.310 nan 8.310 nan 0.000 0.459 208 K N 1.201 121.548 120.400 -0.088 0.000 2.063 208 K HA -0.017 4.303 4.320 0.001 0.000 0.208 208 K C 2.143 178.668 176.600 -0.125 0.000 1.048 208 K CA 1.583 57.815 56.287 -0.093 0.000 0.928 208 K CB -0.597 31.861 32.500 -0.070 0.000 0.713 208 K HN 0.352 nan 8.250 nan 0.000 0.442 209 L N 0.763 121.912 121.223 -0.124 0.000 1.961 209 L HA -0.210 4.130 4.340 0.001 0.000 0.210 209 L C 2.360 179.069 176.870 -0.267 0.000 1.072 209 L CA 1.367 56.115 54.840 -0.154 0.000 0.749 209 L CB -0.571 41.427 42.059 -0.102 0.000 0.889 209 L HN 0.135 nan 8.230 nan 0.000 0.432 210 I N -0.805 119.569 120.570 -0.327 0.000 2.185 210 I HA -0.348 3.823 4.170 0.001 0.000 0.246 210 I C 2.503 178.278 176.117 -0.570 0.000 1.088 210 I CA 1.049 61.965 61.300 -0.640 0.000 1.347 210 I CB -0.528 37.122 38.000 -0.583 0.000 1.041 210 I HN 0.251 nan 8.210 nan 0.000 0.415 211 L N 0.986 122.009 121.223 -0.334 0.000 2.012 211 L HA -0.227 4.113 4.340 0.001 0.000 0.210 211 L C 2.546 179.280 176.870 -0.227 0.000 1.073 211 L CA 2.010 56.710 54.840 -0.234 0.000 0.748 211 L CB -1.045 40.926 42.059 -0.147 0.000 0.891 211 L HN 0.291 nan 8.230 nan 0.000 0.431 212 K N -1.251 119.013 120.400 -0.227 0.000 2.057 212 K HA -0.129 4.191 4.320 0.001 0.000 0.207 212 K C 1.323 177.769 176.600 -0.257 0.000 1.049 212 K CA 0.592 56.739 56.287 -0.233 0.000 0.931 212 K CB -0.083 32.306 32.500 -0.185 0.000 0.714 212 K HN 0.350 nan 8.250 nan 0.000 0.440 216 F N 1.107 121.068 119.950 0.018 0.000 2.234 216 F HA 0.115 4.643 4.527 0.001 0.000 0.296 216 F C 1.987 177.810 175.800 0.038 0.000 1.089 216 F CA 1.729 59.738 58.000 0.015 0.000 1.343 216 F CB -0.022 38.956 39.000 -0.037 0.000 1.040 216 F HN 0.164 nan 8.300 nan 0.000 0.498 217 L N -0.441 120.946 121.223 0.273 0.000 2.270 217 L HA -0.079 4.261 4.340 0.001 0.000 0.210 217 L C 2.301 179.406 176.870 0.392 0.000 1.104 217 L CA 0.768 55.775 54.840 0.278 0.000 0.804 217 L CB -0.677 41.578 42.059 0.326 0.000 0.937 217 L HN 0.168 nan 8.230 nan 0.000 0.450 218 E N 1.367 121.788 120.200 0.369 0.000 2.035 218 E HA -0.262 4.088 4.350 0.001 0.000 0.204 218 E C -0.504 176.171 176.600 0.125 0.000 1.025 218 E CA 2.159 58.654 56.400 0.159 0.000 0.835 218 E CB -0.790 28.966 29.700 0.093 0.000 0.764 218 E HN 0.235 nan 8.360 nan 0.000 0.457 219 P HA -0.184 nan 4.420 nan 0.000 0.218 219 P C 0.847 178.240 177.300 0.156 0.000 1.154 219 P CA 1.525 64.716 63.100 0.153 0.000 0.872 219 P CB -0.156 31.672 31.700 0.213 0.000 0.790 220 F N -0.726 119.249 119.950 0.042 0.000 2.407 220 F HA 0.058 4.585 4.527 0.001 0.000 0.299 220 F C 2.313 178.126 175.800 0.021 0.000 1.097 220 F CA 0.657 58.683 58.000 0.043 0.000 1.422 220 F CB -1.470 37.584 39.000 0.089 0.000 1.067 220 F HN -0.128 nan 8.300 nan 0.000 0.539 221 A N -0.212 122.721 122.820 0.189 0.000 2.225 221 A HA -0.098 4.223 4.320 0.001 0.000 0.215 221 A C 0.984 178.544 177.584 -0.039 0.000 1.164 221 A CA 0.618 52.688 52.037 0.055 0.000 0.710 221 A CB -0.736 18.179 19.000 -0.143 0.000 0.780 221 A HN 0.221 nan 8.150 nan 0.000 0.473 222 K N 0.463 120.824 120.400 -0.065 0.000 2.213 222 K HA 0.479 4.800 4.320 0.001 0.000 0.270 222 K C -0.249 176.255 176.600 -0.160 0.000 1.002 222 K CA -0.287 55.921 56.287 -0.132 0.000 0.868 222 K CB 1.814 34.234 32.500 -0.134 0.000 1.093 222 K HN 0.448 nan 8.250 nan 0.000 0.454 237 S N 0.618 116.414 115.700 0.159 0.000 2.437 237 S HA 0.802 5.273 4.470 0.001 0.000 0.305 237 S C 0.614 175.341 174.600 0.211 0.000 1.109 237 S CA -0.248 58.071 58.200 0.198 0.000 1.099 237 S CB 0.729 64.134 63.200 0.343 0.000 1.004 237 S HN 1.515 nan 8.310 nan 0.000 0.475 241 S N 0.513 116.350 115.700 0.229 0.000 2.387 241 S HA -0.140 4.331 4.470 0.001 0.000 0.230 241 S C 1.621 176.366 174.600 0.241 0.000 1.035 241 S CA 1.508 59.828 58.200 0.199 0.000 1.014 241 S CB -0.557 62.744 63.200 0.167 0.000 0.836 241 S HN 0.481 nan 8.310 nan 0.000 0.466 242 Y N 2.356 122.777 120.300 0.200 0.000 2.256 242 Y HA -0.197 4.353 4.550 0.001 0.000 0.288 242 Y C 2.517 178.584 175.900 0.277 0.000 1.155 242 Y CA 1.702 59.939 58.100 0.229 0.000 1.203 242 Y CB -0.606 37.983 38.460 0.215 0.000 0.980 242 Y HN 0.198 nan 8.280 nan 0.000 0.530 243 T N -0.643 114.133 114.554 0.371 0.000 2.735 243 T HA -0.137 4.213 4.350 0.001 0.000 0.256 243 T C 1.573 176.363 174.700 0.151 0.000 1.042 243 T CA 1.223 63.500 62.100 0.295 0.000 1.147 243 T CB -0.356 68.707 68.868 0.326 0.000 0.865 243 T HN 0.207 nan 8.240 nan 0.000 0.421 244 E N 1.754 122.040 120.200 0.142 0.000 2.136 244 E HA -0.242 4.109 4.350 0.001 0.000 0.208 244 E C 2.109 178.747 176.600 0.064 0.000 1.035 244 E CA 1.881 58.328 56.400 0.078 0.000 0.838 244 E CB -0.632 29.113 29.700 0.075 0.000 0.748 244 E HN 0.454 nan 8.360 nan 0.000 0.459 245 A N 0.037 122.936 122.820 0.130 0.000 1.877 245 A HA -0.147 4.174 4.320 0.001 0.000 0.216 245 A C 2.265 180.045 177.584 0.328 0.000 1.186 245 A CA 1.628 53.814 52.037 0.249 0.000 0.620 245 A CB -0.921 18.250 19.000 0.285 0.000 0.822 245 A HN 0.391 nan 8.150 nan 0.000 0.443 246 L N 0.039 121.386 121.223 0.206 0.000 2.012 246 L HA -0.164 4.176 4.340 0.001 0.000 0.210 246 L C 2.314 179.286 176.870 0.170 0.000 1.073 246 L CA 1.806 56.764 54.840 0.198 0.000 0.748 246 L CB -0.536 41.549 42.059 0.043 0.000 0.891 246 L HN 0.437 nan 8.230 nan 0.000 0.431 247 L N -0.588 120.681 121.223 0.076 0.000 1.956 247 L HA -0.180 4.161 4.340 0.001 0.000 0.216 247 L C 2.640 179.529 176.870 0.031 0.000 1.073 247 L CA 1.611 56.468 54.840 0.027 0.000 0.762 247 L CB -1.884 40.173 42.059 -0.003 0.000 0.889 247 L HN 0.460 nan 8.230 nan 0.000 0.433 248 G N -0.153 108.620 108.800 -0.046 0.000 2.599 248 G HA2 -0.327 3.634 3.960 0.001 0.000 0.219 248 G HA3 -0.327 3.634 3.960 0.001 0.000 0.219 248 G C 1.466 176.365 174.900 -0.001 0.000 1.193 248 G CA 1.254 46.226 45.100 -0.213 0.000 0.778 248 G HN 0.236 nan 8.290 nan 0.000 0.589 249 F N 0.746 120.875 119.950 0.299 0.000 2.091 249 F HA -0.077 4.450 4.527 0.001 0.000 0.299 249 F C 2.761 178.655 175.800 0.156 0.000 1.103 249 F CA 1.046 59.230 58.000 0.307 0.000 1.228 249 F CB -0.217 38.906 39.000 0.206 0.000 0.984 249 F HN 0.073 nan 8.300 nan 0.000 0.477 250 I N -0.270 120.466 120.570 0.277 0.000 2.335 250 I HA -0.358 3.812 4.170 0.001 0.000 0.251 250 I C 2.571 178.764 176.117 0.126 0.000 1.129 250 I CA 1.027 62.417 61.300 0.150 0.000 1.402 250 I CB -0.819 37.223 38.000 0.071 0.000 1.069 250 I HN 0.149 nan 8.210 nan 0.000 0.424 251 A N 1.536 124.421 122.820 0.107 0.000 1.832 251 A HA -0.231 4.089 4.320 0.001 0.000 0.214 251 A C 2.019 179.677 177.584 0.123 0.000 1.200 251 A CA 2.271 54.350 52.037 0.071 0.000 0.610 251 A CB -0.991 18.014 19.000 0.008 0.000 0.842 251 A HN 0.400 nan 8.150 nan 0.000 0.444 252 N N 0.296 119.105 118.700 0.182 0.000 2.192 252 N HA -0.156 4.584 4.740 0.001 0.000 0.188 252 N C 1.543 177.256 175.510 0.339 0.000 1.013 252 N CA 1.522 54.753 53.050 0.302 0.000 0.863 252 N CB -0.189 38.560 38.487 0.436 0.000 0.990 252 N HN 0.470 nan 8.380 nan 0.000 0.430 253 E N 0.739 121.099 120.200 0.267 0.000 2.072 253 E HA -0.154 4.197 4.350 0.001 0.000 0.191 253 E C 1.792 178.482 176.600 0.150 0.000 0.985 253 E CA 0.745 57.266 56.400 0.201 0.000 0.801 253 E CB -0.212 29.581 29.700 0.155 0.000 0.750 253 E HN 0.479 nan 8.360 nan 0.000 0.452 254 K N 0.944 121.418 120.400 0.124 0.000 1.978 254 K HA -0.145 4.176 4.320 0.001 0.000 0.214 254 K C 2.267 178.936 176.600 0.115 0.000 1.049 254 K CA 1.862 58.203 56.287 0.090 0.000 0.939 254 K CB -0.080 32.460 32.500 0.067 0.000 0.721 254 K HN -0.063 nan 8.250 nan 0.000 0.441 255 S N 1.635 117.416 115.700 0.135 0.000 2.414 255 S HA -0.254 4.217 4.470 0.001 0.000 0.238 255 S C 1.850 176.592 174.600 0.236 0.000 1.055 255 S CA 1.783 60.075 58.200 0.154 0.000 1.174 255 S CB -0.784 62.488 63.200 0.120 0.000 1.087 255 S HN 0.402 nan 8.310 nan 0.000 0.428 256 L N 1.949 123.375 121.223 0.338 0.000 2.051 256 L HA -0.129 4.211 4.340 0.001 0.000 0.214 256 L C 2.231 179.201 176.870 0.167 0.000 1.076 256 L CA 1.653 56.648 54.840 0.259 0.000 0.758 256 L CB -0.823 41.319 42.059 0.138 0.000 0.890 256 L HN 0.220 nan 8.230 nan 0.000 0.433 257 V N -0.449 119.547 119.914 0.137 0.000 2.427 257 V HA -0.267 3.854 4.120 0.001 0.000 0.248 257 V C 2.123 178.319 176.094 0.170 0.000 1.051 257 V CA 1.947 64.311 62.300 0.108 0.000 1.048 257 V CB -0.751 31.068 31.823 -0.006 0.000 0.666 257 V HN 0.462 nan 8.190 nan 0.000 0.456 258 D N -0.010 120.478 120.400 0.148 0.000 2.110 258 D HA -0.114 4.526 4.640 0.001 0.000 0.202 258 D C 1.848 178.258 176.300 0.184 0.000 0.975 258 D CA 1.182 55.275 54.000 0.155 0.000 0.839 258 D CB -0.327 40.538 40.800 0.109 0.000 0.996 258 D HN 0.388 nan 8.370 nan 0.000 0.464 259 D N -0.334 120.174 120.400 0.180 0.000 2.265 259 D HA -0.098 4.543 4.640 0.001 0.000 0.208 259 D C 1.730 178.126 176.300 0.160 0.000 0.977 259 D CA 0.613 54.717 54.000 0.173 0.000 0.871 259 D CB 0.048 40.983 40.800 0.225 0.000 0.925 259 D HN 0.205 nan 8.370 nan 0.000 0.485 260 L N -1.286 120.053 121.223 0.194 0.000 2.249 260 L HA -0.002 4.338 4.340 0.001 0.000 0.207 260 L C 0.609 177.527 176.870 0.080 0.000 1.090 260 L CA 0.523 55.452 54.840 0.149 0.000 0.802 260 L CB 0.152 42.334 42.059 0.205 0.000 0.947 260 L HN 0.060 nan 8.230 nan 0.000 0.453 261 Y N -0.718 119.620 120.300 0.064 0.000 2.801 261 Y HA 0.083 4.633 4.550 0.001 0.000 0.318 261 Y C 1.993 177.961 175.900 0.114 0.000 1.073 261 Y CA -0.558 57.591 58.100 0.082 0.000 1.360 261 Y CB -0.292 38.209 38.460 0.069 0.000 1.220 261 Y HN 0.080 nan 8.280 nan 0.000 0.536 262 S N -1.490 114.321 115.700 0.186 0.000 2.584 262 S HA -0.116 4.354 4.470 0.001 0.000 0.240 262 S C 1.427 176.100 174.600 0.122 0.000 0.975 262 S CA 0.776 59.058 58.200 0.137 0.000 0.949 262 S CB 0.063 63.323 63.200 0.100 0.000 0.761 262 S HN 0.445 nan 8.310 nan 0.000 0.536 263 Q N -0.500 119.408 119.800 0.179 0.000 2.422 263 Q HA 0.220 4.561 4.340 0.001 0.000 0.255 263 Q C -0.444 175.631 176.000 0.125 0.000 0.864 263 Q CA 0.560 56.453 55.803 0.150 0.000 0.968 263 Q CB 0.332 29.204 28.738 0.223 0.000 1.130 263 Q HN 0.713 nan 8.270 nan 0.000 0.556 264 Y N 1.081 121.411 120.300 0.049 0.000 2.723 264 Y HA 0.245 4.796 4.550 0.001 0.000 0.374 264 Y C 0.149 176.138 175.900 0.149 0.000 1.062 264 Y CA -0.491 57.668 58.100 0.098 0.000 1.321 264 Y CB 0.422 38.959 38.460 0.129 0.000 1.405 264 Y HN -0.207 nan 8.280 nan 0.000 0.583 265 T N 0.754 115.412 114.554 0.173 0.000 4.492 265 T HA 0.058 4.408 4.350 0.001 0.000 0.222 265 T C 0.848 175.594 174.700 0.077 0.000 0.836 265 T CA 0.505 62.674 62.100 0.115 0.000 0.900 265 T CB -0.407 68.502 68.868 0.068 0.000 1.399 265 T HN 0.621 nan 8.240 nan 0.000 0.877 266 E N -0.101 120.162 120.200 0.106 0.000 2.555 266 E HA 0.044 4.395 4.350 0.001 0.000 0.209 266 E C 1.529 178.164 176.600 0.059 0.000 0.847 266 E CA -0.022 56.419 56.400 0.067 0.000 1.438 266 E CB 0.658 30.396 29.700 0.063 0.000 1.420 266 E HN 0.457 nan 8.360 nan 0.000 0.755 267 S N 0.077 115.818 115.700 0.068 0.000 2.730 267 S HA 0.271 4.741 4.470 0.001 0.000 0.244 267 S C 1.200 175.737 174.600 -0.105 0.000 1.022 267 S CA -0.493 57.719 58.200 0.020 0.000 1.014 267 S CB 0.274 63.518 63.200 0.074 0.000 0.963 267 S HN -0.034 nan 8.310 nan 0.000 0.540 268 K N 2.131 122.450 120.400 -0.136 0.000 2.059 268 K HA -0.104 4.217 4.320 0.001 0.000 0.212 268 K C -1.047 175.481 176.600 -0.120 0.000 1.050 268 K CA 2.080 58.243 56.287 -0.206 0.000 0.927 268 K CB -1.309 31.147 32.500 -0.073 0.000 0.714 268 K HN 0.363 nan 8.250 nan 0.000 0.447 269 P HA -0.166 nan 4.420 nan 0.000 0.213 269 P C 1.101 178.422 177.300 0.035 0.000 1.170 269 P CA 1.322 64.428 63.100 0.010 0.000 0.893 269 P CB -0.030 31.691 31.700 0.035 0.000 0.784 270 H N -0.531 118.512 119.070 -0.046 0.000 2.353 270 H HA -0.129 4.428 4.556 0.001 0.000 0.298 270 H C 1.780 177.082 175.328 -0.043 0.000 1.103 270 H CA 1.474 57.504 56.048 -0.029 0.000 1.293 270 H CB -0.926 28.827 29.762 -0.014 0.000 1.372 270 H HN -0.194 nan 8.280 nan 0.000 0.501 271 V N -0.086 119.781 119.914 -0.078 0.000 2.223 271 V HA -0.223 3.898 4.120 0.001 0.000 0.244 271 V C 2.524 178.546 176.094 -0.120 0.000 1.045 271 V CA 1.815 64.028 62.300 -0.144 0.000 1.000 271 V CB -0.683 30.975 31.823 -0.275 0.000 0.635 271 V HN 0.376 nan 8.190 nan 0.000 0.445 272 L N -0.030 121.134 121.223 -0.098 0.000 2.261 272 L HA -0.126 4.215 4.340 0.001 0.000 0.216 272 L C 2.578 179.421 176.870 -0.045 0.000 1.114 272 L CA 2.178 56.987 54.840 -0.052 0.000 0.777 272 L CB -0.685 41.357 42.059 -0.029 0.000 0.910 272 L HN 0.399 nan 8.230 nan 0.000 0.440 273 S N -1.090 114.572 115.700 -0.064 0.000 2.345 273 S HA -0.226 4.245 4.470 0.001 0.000 0.220 273 S C 1.900 176.451 174.600 -0.082 0.000 1.031 273 S CA 1.436 59.602 58.200 -0.057 0.000 0.996 273 S CB -0.165 63.000 63.200 -0.058 0.000 0.882 273 S HN 0.668 nan 8.310 nan 0.000 0.445 274 Q N 0.012 119.729 119.800 -0.138 0.000 2.224 274 Q HA 0.018 4.358 4.340 0.001 0.000 0.203 274 Q C 2.107 178.064 176.000 -0.071 0.000 0.970 274 Q CA 1.307 57.039 55.803 -0.119 0.000 0.865 274 Q CB -0.204 28.437 28.738 -0.160 0.000 0.922 274 Q HN 0.625 nan 8.270 nan 0.000 0.445 275 I N -0.031 120.504 120.570 -0.059 0.000 2.235 275 I HA -0.213 3.958 4.170 0.001 0.000 0.241 275 I C 1.923 178.020 176.117 -0.035 0.000 1.085 275 I CA 0.634 61.911 61.300 -0.039 0.000 1.378 275 I CB -0.168 37.819 38.000 -0.021 0.000 1.076 275 I HN 0.196 nan 8.210 nan 0.000 0.415 276 L N 0.192 121.399 121.223 -0.026 0.000 2.093 276 L HA -0.147 4.193 4.340 0.001 0.000 0.208 276 L C 2.712 179.565 176.870 -0.029 0.000 1.085 276 L CA 1.430 56.257 54.840 -0.021 0.000 0.755 276 L CB -1.496 40.554 42.059 -0.015 0.000 0.904 276 L HN 0.260 nan 8.230 nan 0.000 0.435 277 S N 0.498 116.179 115.700 -0.031 0.000 2.401 277 S HA -0.168 4.302 4.470 0.001 0.000 0.236 277 S C -0.084 174.505 174.600 -0.018 0.000 1.058 277 S CA 2.552 60.737 58.200 -0.026 0.000 1.151 277 S CB -1.016 62.166 63.200 -0.029 0.000 1.049 277 S HN 0.295 nan 8.310 nan 0.000 0.432 278 P HA -0.049 nan 4.420 nan 0.000 0.217 278 P C 1.670 178.971 177.300 0.000 0.000 1.151 278 P CA 1.028 64.120 63.100 -0.013 0.000 0.828 278 P CB -0.284 31.400 31.700 -0.027 0.000 0.788 279 L N -0.685 120.529 121.223 -0.015 0.000 2.051 279 L HA -0.208 4.133 4.340 0.001 0.000 0.214 279 L C 2.838 179.748 176.870 0.067 0.000 1.076 279 L CA 1.650 56.488 54.840 -0.004 0.000 0.758 279 L CB -0.938 41.102 42.059 -0.033 0.000 0.890 279 L HN -0.113 nan 8.230 nan 0.000 0.433 280 I N -1.448 119.147 120.570 0.041 0.000 2.202 280 I HA -0.268 3.902 4.170 0.001 0.000 0.242 280 I C 2.806 178.998 176.117 0.124 0.000 1.091 280 I CA 1.162 62.503 61.300 0.068 0.000 1.368 280 I CB -0.399 37.581 38.000 -0.035 0.000 1.058 280 I HN 0.165 nan 8.210 nan 0.000 0.410 281 S N 0.541 116.280 115.700 0.065 0.000 2.387 281 S HA -0.249 4.222 4.470 0.001 0.000 0.230 281 S C 2.174 176.825 174.600 0.085 0.000 1.035 281 S CA 1.628 59.864 58.200 0.059 0.000 1.014 281 S CB -0.232 62.986 63.200 0.029 0.000 0.836 281 S HN 0.503 nan 8.310 nan 0.000 0.466 282 A N 0.012 122.898 122.820 0.109 0.000 1.873 282 A HA -0.064 4.257 4.320 0.001 0.000 0.215 282 A C 1.967 179.661 177.584 0.183 0.000 1.186 282 A CA 1.691 53.805 52.037 0.128 0.000 0.616 282 A CB -1.265 17.828 19.000 0.156 0.000 0.823 282 A HN 0.728 nan 8.150 nan 0.000 0.442 283 Y N 0.845 121.257 120.300 0.186 0.000 2.114 283 Y HA -0.215 4.335 4.550 0.001 0.000 0.282 283 Y C 2.653 178.656 175.900 0.172 0.000 1.165 283 Y CA 1.673 59.930 58.100 0.262 0.000 1.148 283 Y CB -0.598 37.989 38.460 0.213 0.000 0.972 283 Y HN 0.323 nan 8.280 nan 0.000 0.504 284 A N 0.810 123.736 122.820 0.176 0.000 1.892 284 A HA -0.227 4.094 4.320 0.001 0.000 0.218 284 A C 2.257 179.862 177.584 0.035 0.000 1.188 284 A CA 2.126 54.213 52.037 0.083 0.000 0.631 284 A CB -0.598 18.451 19.000 0.081 0.000 0.822 284 A HN 0.402 nan 8.150 nan 0.000 0.447 285 K N -0.620 119.788 120.400 0.014 0.000 1.991 285 K HA -0.149 4.172 4.320 0.001 0.000 0.212 285 K C 1.979 178.540 176.600 -0.064 0.000 1.049 285 K CA 1.447 57.725 56.287 -0.015 0.000 0.932 285 K CB -1.240 31.249 32.500 -0.018 0.000 0.717 285 K HN 0.457 nan 8.250 nan 0.000 0.441 286 L N 0.910 122.055 121.223 -0.130 0.000 2.021 286 L HA -0.195 4.146 4.340 0.001 0.000 0.215 286 L C 2.265 178.997 176.870 -0.231 0.000 1.074 286 L CA 1.649 56.347 54.840 -0.238 0.000 0.760 286 L CB -0.908 40.885 42.059 -0.443 0.000 0.889 286 L HN 0.150 nan 8.230 nan 0.000 0.433 287 F N 0.409 120.110 119.950 -0.414 0.000 2.026 287 F HA -0.122 4.405 4.527 0.001 0.000 0.296 287 F C 2.310 177.999 175.800 -0.184 0.000 1.133 287 F CA 2.256 60.032 58.000 -0.374 0.000 1.188 287 F CB -1.013 37.684 39.000 -0.505 0.000 0.968 287 F HN 0.179 nan 8.300 nan 0.000 0.476 288 G N -0.411 108.496 108.800 0.177 0.000 2.469 288 G HA2 -0.319 3.642 3.960 0.001 0.000 0.220 288 G HA3 -0.319 3.642 3.960 0.001 0.000 0.220 288 G C 1.780 176.651 174.900 -0.048 0.000 1.136 288 G CA 1.005 46.165 45.100 0.100 0.000 0.759 288 G HN 0.673 nan 8.290 nan 0.000 0.562 289 A N 1.235 124.004 122.820 -0.084 0.000 1.892 289 A HA -0.175 4.146 4.320 0.001 0.000 0.218 289 A C 2.295 179.789 177.584 -0.150 0.000 1.188 289 A CA 1.922 53.891 52.037 -0.114 0.000 0.631 289 A CB -0.557 18.367 19.000 -0.126 0.000 0.822 289 A HN 0.437 nan 8.150 nan 0.000 0.447 290 N N -0.182 118.402 118.700 -0.194 0.000 2.084 290 N HA -0.110 4.631 4.740 0.001 0.000 0.190 290 N C 1.829 177.241 175.510 -0.163 0.000 1.030 290 N CA 1.463 54.408 53.050 -0.175 0.000 0.849 290 N CB -0.365 38.036 38.487 -0.144 0.000 1.012 290 N HN 0.474 nan 8.380 nan 0.000 0.423 291 L N 1.761 122.857 121.223 -0.212 0.000 2.013 291 L HA -0.209 4.132 4.340 0.001 0.000 0.212 291 L C 2.555 179.365 176.870 -0.101 0.000 1.073 291 L CA 1.320 56.073 54.840 -0.146 0.000 0.753 291 L CB -0.289 41.712 42.059 -0.096 0.000 0.890 291 L HN 0.132 nan 8.230 nan 0.000 0.432 292 K N 0.056 120.399 120.400 -0.095 0.000 2.059 292 K HA -0.213 4.108 4.320 0.001 0.000 0.212 292 K C 1.959 178.489 176.600 -0.116 0.000 1.050 292 K CA 1.707 57.943 56.287 -0.086 0.000 0.927 292 K CB -0.411 32.040 32.500 -0.081 0.000 0.714 292 K HN 0.382 nan 8.250 nan 0.000 0.447 293 I N 0.687 121.155 120.570 -0.170 0.000 2.439 293 I HA -0.213 3.957 4.170 0.001 0.000 0.251 293 I C 2.103 178.056 176.117 -0.272 0.000 1.139 293 I CA 0.640 61.781 61.300 -0.265 0.000 1.438 293 I CB -0.027 37.744 38.000 -0.382 0.000 1.085 293 I HN -0.114 nan 8.210 nan 0.000 0.427 294 V N 0.456 120.273 119.914 -0.162 0.000 2.407 294 V HA -0.147 3.974 4.120 0.001 0.000 0.245 294 V C 2.403 178.476 176.094 -0.034 0.000 1.041 294 V CA 1.334 63.599 62.300 -0.058 0.000 1.040 294 V CB -0.748 31.075 31.823 0.000 0.000 0.671 294 V HN 0.330 nan 8.190 nan 0.000 0.455 295 R N 0.528 120.997 120.500 -0.052 0.000 2.127 295 R HA -0.132 4.208 4.340 0.001 0.000 0.238 295 R C 2.497 178.784 176.300 -0.021 0.000 1.134 295 R CA 1.642 57.721 56.100 -0.035 0.000 0.975 295 R CB -0.471 29.809 30.300 -0.033 0.000 0.865 295 R HN 0.534 nan 8.270 nan 0.000 0.447 296 S N 1.222 116.903 115.700 -0.031 0.000 2.380 296 S HA -0.166 4.304 4.470 0.001 0.000 0.213 296 S C 0.974 175.593 174.600 0.032 0.000 1.037 296 S CA 1.026 59.217 58.200 -0.015 0.000 1.034 296 S CB -0.371 62.800 63.200 -0.049 0.000 1.022 296 S HN 0.278 nan 8.310 nan 0.000 0.418 297 N N 1.179 119.936 118.700 0.094 0.000 2.767 297 N HA 0.284 5.025 4.740 0.001 0.000 0.238 297 N C 0.407 176.030 175.510 0.188 0.000 1.083 297 N CA -0.028 53.130 53.050 0.179 0.000 0.964 297 N CB -0.072 38.616 38.487 0.335 0.000 1.252 297 N HN 0.213 nan 8.380 nan 0.000 0.512 298 L N 1.270 122.536 121.223 0.072 0.000 2.201 298 L HA -0.055 4.285 4.340 0.001 0.000 0.212 298 L C 1.896 178.765 176.870 -0.001 0.000 1.105 298 L CA 0.882 55.729 54.840 0.012 0.000 0.775 298 L CB -0.093 41.946 42.059 -0.033 0.000 0.913 298 L HN 0.627 nan 8.230 nan 0.000 0.440 299 E N -0.046 120.162 120.200 0.013 0.000 2.097 299 E HA -0.226 4.125 4.350 0.001 0.000 0.196 299 E C 1.495 178.072 176.600 -0.038 0.000 1.000 299 E CA 1.282 57.681 56.400 -0.001 0.000 0.804 299 E CB 0.067 29.763 29.700 -0.007 0.000 0.740 299 E HN 0.555 nan 8.360 nan 0.000 0.454 300 N N -0.985 117.632 118.700 -0.139 0.000 2.564 300 N HA 0.036 4.777 4.740 0.001 0.000 0.202 300 N C 1.260 176.545 175.510 -0.376 0.000 1.052 300 N CA 0.362 53.211 53.050 -0.336 0.000 0.872 300 N CB 0.195 38.312 38.487 -0.615 0.000 1.303 300 N HN 0.067 nan 8.380 nan 0.000 0.440 301 F N 1.190 121.126 119.950 -0.023 0.000 2.765 301 F HA 0.304 4.831 4.527 0.001 0.000 0.302 301 F C 2.278 178.061 175.800 -0.029 0.000 1.111 301 F CA -0.157 57.825 58.000 -0.029 0.000 1.359 301 F CB -0.442 38.518 39.000 -0.066 0.000 1.097 301 F HN -0.026 nan 8.300 nan 0.000 0.577 302 G N 1.196 110.021 108.800 0.041 0.000 2.599 302 G HA2 -0.341 3.619 3.960 0.001 0.000 0.219 302 G HA3 -0.341 3.619 3.960 0.001 0.000 0.219 302 G C 1.380 175.989 174.900 -0.485 0.000 1.193 302 G CA 1.185 46.147 45.100 -0.230 0.000 0.778 302 G HN 0.313 nan 8.290 nan 0.000 0.589 303 F N -0.148 119.521 119.950 -0.468 0.000 2.494 303 F HA 0.142 4.670 4.527 0.001 0.000 0.298 303 F C 1.994 177.442 175.800 -0.587 0.000 1.106 303 F CA 0.014 57.554 58.000 -0.766 0.000 1.452 303 F CB -0.508 38.084 39.000 -0.681 0.000 1.085 303 F HN 0.144 nan 8.300 nan 0.000 0.569 304 F N 1.415 121.215 119.950 -0.250 0.000 2.269 304 F HA -0.205 4.323 4.527 0.001 0.000 0.301 304 F C 2.567 178.256 175.800 -0.186 0.000 1.082 304 F CA 1.007 58.925 58.000 -0.137 0.000 1.360 304 F CB -0.835 38.146 39.000 -0.031 0.000 1.041 304 F HN 0.012 nan 8.300 nan 0.000 0.512 305 S N -0.121 115.341 115.700 -0.396 0.000 2.402 305 S HA -0.292 4.179 4.470 0.001 0.000 0.233 305 S C 2.160 176.602 174.600 -0.264 0.000 1.030 305 S CA 1.549 59.505 58.200 -0.406 0.000 1.003 305 S CB -1.715 61.247 63.200 -0.397 0.000 0.813 305 S HN 0.500 nan 8.310 nan 0.000 0.477 306 F N 2.153 121.959 119.950 -0.240 0.000 2.171 306 F HA -0.059 4.469 4.527 0.001 0.000 0.300 306 F C 2.884 178.631 175.800 -0.088 0.000 1.090 306 F CA 1.116 59.033 58.000 -0.137 0.000 1.293 306 F CB -0.273 38.618 39.000 -0.182 0.000 1.013 306 F HN 0.284 nan 8.300 nan 0.000 0.486 307 E N 0.474 120.673 120.200 -0.001 0.000 2.107 307 E HA -0.144 4.206 4.350 0.001 0.000 0.191 307 E C 2.258 178.735 176.600 -0.204 0.000 0.982 307 E CA 0.670 57.044 56.400 -0.043 0.000 0.809 307 E CB -0.181 29.496 29.700 -0.039 0.000 0.756 307 E HN 0.458 nan 8.360 nan 0.000 0.459 308 L N 0.755 121.687 121.223 -0.485 0.000 2.131 308 L HA -0.181 4.160 4.340 0.001 0.000 0.210 308 L C 2.374 179.309 176.870 0.107 0.000 1.092 308 L CA 0.688 55.305 54.840 -0.372 0.000 0.759 308 L CB -0.287 41.424 42.059 -0.579 0.000 0.903 308 L HN 0.055 nan 8.230 nan 0.000 0.435 309 V N -0.369 119.602 119.914 0.095 0.000 2.229 309 V HA -0.295 3.825 4.120 0.001 0.000 0.243 309 V C 2.381 178.572 176.094 0.162 0.000 1.042 309 V CA 1.927 64.331 62.300 0.172 0.000 1.000 309 V CB -0.522 31.396 31.823 0.158 0.000 0.637 309 V HN 0.459 nan 8.190 nan 0.000 0.446 310 E N 0.028 120.311 120.200 0.138 0.000 2.136 310 E HA -0.333 4.018 4.350 0.001 0.000 0.202 310 E C 2.399 179.085 176.600 0.143 0.000 1.019 310 E CA 1.950 58.426 56.400 0.128 0.000 0.819 310 E CB -0.243 29.537 29.700 0.134 0.000 0.739 310 E HN 0.518 nan 8.360 nan 0.000 0.458 311 S N -0.086 115.725 115.700 0.186 0.000 2.343 311 S HA -0.196 4.275 4.470 0.001 0.000 0.219 311 S C 2.012 176.774 174.600 0.270 0.000 1.033 311 S CA 1.362 59.719 58.200 0.262 0.000 1.014 311 S CB -0.367 63.046 63.200 0.354 0.000 0.915 311 S HN 0.395 nan 8.310 nan 0.000 0.435 312 I N 2.731 123.503 120.570 0.338 0.000 2.286 312 I HA -0.137 4.034 4.170 0.001 0.000 0.248 312 I C 1.863 177.989 176.117 0.015 0.000 1.115 312 I CA 1.545 62.926 61.300 0.135 0.000 1.392 312 I CB -0.698 37.294 38.000 -0.013 0.000 1.065 312 I HN 0.290 nan 8.210 nan 0.000 0.418 313 N N 0.905 119.641 118.700 0.061 0.000 2.080 313 N HA -0.183 4.557 4.740 0.001 0.000 0.189 313 N C 1.606 177.124 175.510 0.013 0.000 1.036 313 N CA 1.771 54.842 53.050 0.036 0.000 0.846 313 N CB -0.608 37.913 38.487 0.057 0.000 1.015 313 N HN 0.438 nan 8.380 nan 0.000 0.423 314 D N 0.818 121.235 120.400 0.028 0.000 2.133 314 D HA -0.116 4.525 4.640 0.001 0.000 0.195 314 D C 2.001 178.278 176.300 -0.039 0.000 0.997 314 D CA 0.825 54.831 54.000 0.011 0.000 0.840 314 D CB -0.055 40.768 40.800 0.037 0.000 0.947 314 D HN 0.026 nan 8.370 nan 0.000 0.452 315 V N 1.124 120.978 119.914 -0.100 0.000 2.343 315 V HA -0.226 3.894 4.120 0.001 0.000 0.247 315 V C 2.310 178.298 176.094 -0.177 0.000 1.051 315 V CA 1.581 63.746 62.300 -0.224 0.000 1.036 315 V CB -0.312 31.194 31.823 -0.530 0.000 0.654 315 V HN 0.157 nan 8.190 nan 0.000 0.451 316 K N -0.006 120.319 120.400 -0.125 0.000 2.217 316 K HA -0.131 4.190 4.320 0.001 0.000 0.202 316 K C 2.195 178.797 176.600 0.004 0.000 1.051 316 K CA 0.911 57.162 56.287 -0.060 0.000 0.952 316 K CB -0.108 32.391 32.500 -0.001 0.000 0.736 316 K HN 0.353 nan 8.250 nan 0.000 0.453 317 K N 0.578 120.976 120.400 -0.003 0.000 2.296 317 K HA -0.042 4.279 4.320 0.001 0.000 0.200 317 K C 2.078 178.681 176.600 0.005 0.000 1.048 317 K CA 0.948 57.243 56.287 0.012 0.000 0.966 317 K CB 0.129 32.636 32.500 0.012 0.000 0.754 317 K HN -0.061 nan 8.250 nan 0.000 0.466 318 S N 0.142 115.833 115.700 -0.016 0.000 2.406 318 S HA 0.003 4.474 4.470 0.001 0.000 0.224 318 S C 1.660 176.257 174.600 -0.004 0.000 1.030 318 S CA 0.320 58.511 58.200 -0.015 0.000 0.958 318 S CB 0.010 63.191 63.200 -0.033 0.000 0.811 318 S HN 0.221 nan 8.310 nan 0.000 0.489 319 L N 2.025 123.240 121.223 -0.014 0.000 2.217 319 L HA 0.270 4.611 4.340 0.001 0.000 0.211 319 L C 1.428 178.343 176.870 0.076 0.000 1.107 319 L CA 0.793 55.641 54.840 0.014 0.000 0.783 319 L CB -1.301 40.733 42.059 -0.041 0.000 0.919 319 L HN 0.310 nan 8.230 nan 0.000 0.442 320 R N 0.004 120.553 120.500 0.081 0.000 2.560 320 R HA 0.040 4.381 4.340 0.001 0.000 0.296 320 R C 1.237 177.572 176.300 0.059 0.000 0.873 320 R CA 1.089 57.237 56.100 0.081 0.000 1.140 320 R CB -0.217 30.114 30.300 0.052 0.000 0.875 320 R HN 0.492 nan 8.270 nan 0.000 0.419 321 G N 3.507 112.342 108.800 0.057 0.000 3.211 321 G HA2 -0.297 3.663 3.960 0.001 0.000 0.206 321 G HA3 -0.297 3.663 3.960 0.001 0.000 0.206 321 G C -0.522 174.405 174.900 0.045 0.000 1.418 321 G CA 0.088 45.212 45.100 0.039 0.000 0.958 321 G HN 0.572 nan 8.290 nan 0.000 0.567 322 K N 2.816 123.248 120.400 0.054 0.000 2.355 322 K HA 0.468 4.788 4.320 0.001 0.000 0.270 322 K C 0.728 177.373 176.600 0.077 0.000 1.003 322 K CA 0.464 56.782 56.287 0.053 0.000 0.957 322 K CB 0.573 33.099 32.500 0.044 0.000 0.939 322 K HN 0.805 nan 8.250 nan 0.000 0.482 323 E N 2.424 122.664 120.200 0.066 0.000 2.343 323 E HA 0.263 4.614 4.350 0.001 0.000 0.269 323 E C -0.784 175.873 176.600 0.094 0.000 1.047 323 E CA -0.519 55.930 56.400 0.081 0.000 0.874 323 E CB 0.688 30.429 29.700 0.068 0.000 1.033 323 E HN 0.315 nan 8.360 nan 0.000 0.409 324 L N 2.953 124.254 121.223 0.131 0.000 2.457 324 L HA 0.091 4.432 4.340 0.001 0.000 0.266 324 L C 1.141 178.075 176.870 0.106 0.000 0.979 324 L CA -0.612 54.295 54.840 0.112 0.000 0.857 324 L CB 1.720 43.859 42.059 0.132 0.000 1.213 324 L HN 0.736 nan 8.230 nan 0.000 0.418 325 Q N 0.740 120.580 119.800 0.065 0.000 2.458 325 Q HA -0.174 4.167 4.340 0.001 0.000 0.215 325 Q C 0.425 176.462 176.000 0.063 0.000 0.989 325 Q CA 1.370 57.210 55.803 0.061 0.000 0.895 325 Q CB 0.007 28.767 28.738 0.037 0.000 0.934 325 Q HN 0.536 nan 8.270 nan 0.000 0.475 326 N N -0.828 117.909 118.700 0.063 0.000 2.727 326 N HA 0.072 4.812 4.740 0.001 0.000 0.252 326 N C -1.513 174.034 175.510 0.063 0.000 1.283 326 N CA -0.384 52.699 53.050 0.055 0.000 0.782 326 N CB 0.616 39.115 38.487 0.020 0.000 1.199 326 N HN 0.266 nan 8.380 nan 0.000 0.520 327 Y N 2.938 123.239 120.300 0.002 0.000 2.609 327 Y HA 0.085 4.635 4.550 0.001 0.000 0.281 327 Y C 2.016 177.912 175.900 -0.006 0.000 1.132 327 Y CA 0.385 58.483 58.100 -0.004 0.000 1.264 327 Y CB 0.216 38.673 38.460 -0.005 0.000 1.325 327 Y HN 0.411 nan 8.280 nan 0.000 0.514 328 N N 1.410 120.269 118.700 0.265 0.000 2.187 328 N HA -0.271 4.470 4.740 0.001 0.000 0.194 328 N C 1.498 177.068 175.510 0.100 0.000 1.002 328 N CA 1.968 55.119 53.050 0.168 0.000 0.882 328 N CB -1.073 37.472 38.487 0.096 0.000 1.003 328 N HN 0.466 nan 8.380 nan 0.000 0.443 329 L N -0.117 121.137 121.223 0.052 0.000 2.265 329 L HA -0.019 4.321 4.340 0.001 0.000 0.215 329 L C 2.358 179.209 176.870 -0.032 0.000 1.117 329 L CA 0.698 55.544 54.840 0.011 0.000 0.782 329 L CB -0.304 41.758 42.059 0.004 0.000 0.914 329 L HN 0.145 nan 8.230 nan 0.000 0.441 330 L N -1.280 119.902 121.223 -0.068 0.000 2.168 330 L HA -0.080 4.261 4.340 0.001 0.000 0.203 330 L C 2.551 179.408 176.870 -0.021 0.000 1.078 330 L CA 0.638 55.399 54.840 -0.131 0.000 0.780 330 L CB -0.351 41.517 42.059 -0.318 0.000 0.939 330 L HN 0.213 nan 8.230 nan 0.000 0.451 331 Q N 0.163 120.034 119.800 0.118 0.000 2.181 331 Q HA -0.228 4.112 4.340 0.001 0.000 0.205 331 Q C 1.467 177.501 176.000 0.057 0.000 0.980 331 Q CA 1.686 57.563 55.803 0.123 0.000 0.862 331 Q CB -0.096 28.732 28.738 0.149 0.000 0.905 331 Q HN 0.485 nan 8.270 nan 0.000 0.429 332 D N -0.243 120.182 120.400 0.041 0.000 2.085 332 D HA -0.115 4.525 4.640 0.001 0.000 0.199 332 D C 1.913 178.224 176.300 0.018 0.000 0.981 332 D CA 0.987 55.005 54.000 0.031 0.000 0.834 332 D CB -0.192 40.626 40.800 0.031 0.000 0.992 332 D HN 0.182 nan 8.370 nan 0.000 0.457 333 C N 0.703 119.985 119.300 -0.031 0.000 2.376 333 C HA -0.216 4.244 4.460 0.001 0.000 0.275 333 C C 2.978 177.962 174.990 -0.011 0.000 1.200 333 C CA 2.047 61.025 59.018 -0.067 0.000 1.756 333 C CB -1.468 26.017 27.740 -0.426 0.000 2.050 333 C HN 0.587 nan 8.230 nan 0.000 0.460 334 T N -0.805 113.720 114.554 -0.048 0.000 2.737 334 T HA -0.274 4.076 4.350 0.001 0.000 0.269 334 T C 1.651 176.387 174.700 0.061 0.000 1.040 334 T CA 1.799 63.913 62.100 0.023 0.000 1.142 334 T CB -0.428 68.455 68.868 0.025 0.000 0.861 334 T HN 0.549 nan 8.240 nan 0.000 0.456 335 Q N 1.249 121.079 119.800 0.051 0.000 2.050 335 Q HA -0.091 4.249 4.340 0.001 0.000 0.202 335 Q C 2.425 178.464 176.000 0.066 0.000 0.980 335 Q CA 1.921 57.757 55.803 0.054 0.000 0.840 335 Q CB -0.404 28.361 28.738 0.045 0.000 0.898 335 Q HN 0.777 nan 8.270 nan 0.000 0.424 336 E N -0.059 120.189 120.200 0.079 0.000 2.038 336 E HA -0.148 4.202 4.350 0.001 0.000 0.195 336 E C 2.216 178.876 176.600 0.100 0.000 1.000 336 E CA 1.577 58.031 56.400 0.090 0.000 0.803 336 E CB -0.112 29.658 29.700 0.117 0.000 0.750 336 E HN 0.095 nan 8.360 nan 0.000 0.448 337 V N 1.182 121.188 119.914 0.154 0.000 2.214 337 V HA -0.312 3.808 4.120 0.001 0.000 0.245 337 V C 2.446 178.595 176.094 0.092 0.000 1.047 337 V CA 2.231 64.614 62.300 0.140 0.000 0.998 337 V CB -0.715 31.250 31.823 0.238 0.000 0.633 337 V HN 0.209 nan 8.190 nan 0.000 0.446 338 R N 0.021 120.581 120.500 0.101 0.000 2.153 338 R HA -0.290 4.051 4.340 0.001 0.000 0.252 338 R C 2.378 178.726 176.300 0.080 0.000 1.158 338 R CA 2.254 58.409 56.100 0.092 0.000 0.975 338 R CB -0.357 29.991 30.300 0.079 0.000 0.871 338 R HN 0.682 nan 8.270 nan 0.000 0.450 339 Q N -0.287 119.553 119.800 0.066 0.000 2.515 339 Q HA -0.048 4.293 4.340 0.001 0.000 0.212 339 Q C 0.916 176.943 176.000 0.045 0.000 0.970 339 Q CA 0.696 56.532 55.803 0.055 0.000 0.941 339 Q CB 0.507 29.273 28.738 0.047 0.000 0.998 339 Q HN 0.299 nan 8.270 nan 0.000 0.518 340 V N -1.403 118.531 119.914 0.034 0.000 3.151 340 V HA -0.064 4.056 4.120 0.001 0.000 0.241 340 V C 1.897 177.975 176.094 -0.027 0.000 1.173 340 V CA 1.134 63.430 62.300 -0.007 0.000 1.154 340 V CB 0.371 32.171 31.823 -0.039 0.000 0.898 340 V HN 0.283 nan 8.190 nan 0.000 0.473 341 T N 1.650 116.210 114.554 0.011 0.000 2.699 341 T HA -0.307 4.043 4.350 0.001 0.000 0.268 341 T C 1.813 176.638 174.700 0.209 0.000 1.036 341 T CA 2.355 64.488 62.100 0.055 0.000 1.147 341 T CB -0.296 68.703 68.868 0.218 0.000 0.862 341 T HN 0.756 nan 8.240 nan 0.000 0.446 342 Q N 0.768 120.711 119.800 0.237 0.000 2.245 342 Q HA 0.085 4.426 4.340 0.001 0.000 0.201 342 Q C 2.407 178.584 176.000 0.296 0.000 0.955 342 Q CA 1.209 57.226 55.803 0.357 0.000 0.870 342 Q CB -0.462 28.383 28.738 0.178 0.000 0.945 342 Q HN 0.397 nan 8.270 nan 0.000 0.461 343 S N 1.211 116.988 115.700 0.128 0.000 2.420 343 S HA -0.118 4.352 4.470 0.001 0.000 0.237 343 S C 1.876 176.493 174.600 0.028 0.000 1.023 343 S CA 0.808 59.049 58.200 0.068 0.000 0.991 343 S CB -0.286 62.920 63.200 0.010 0.000 0.792 343 S HN 0.441 nan 8.310 nan 0.000 0.488 344 L N -0.401 120.783 121.223 -0.064 0.000 2.083 344 L HA -0.100 4.241 4.340 0.001 0.000 0.209 344 L C 2.148 178.890 176.870 -0.213 0.000 1.083 344 L CA 1.398 56.078 54.840 -0.267 0.000 0.752 344 L CB -0.611 41.089 42.059 -0.598 0.000 0.899 344 L HN 0.357 nan 8.230 nan 0.000 0.433 345 F N -0.474 119.449 119.950 -0.045 0.000 2.149 345 F HA -0.089 4.438 4.527 0.001 0.000 0.294 345 F C 2.805 178.639 175.800 0.056 0.000 1.095 345 F CA 1.011 58.895 58.000 -0.195 0.000 1.276 345 F CB -0.570 38.089 39.000 -0.568 0.000 1.023 345 F HN -0.114 nan 8.300 nan 0.000 0.480 346 R N 0.580 121.263 120.500 0.305 0.000 2.120 346 R HA -0.185 4.155 4.340 0.001 0.000 0.234 346 R C 2.121 178.539 176.300 0.196 0.000 1.123 346 R CA 1.765 58.031 56.100 0.277 0.000 0.975 346 R CB -0.517 29.910 30.300 0.212 0.000 0.866 346 R HN 0.265 nan 8.270 nan 0.000 0.446 347 D N 0.082 120.562 120.400 0.133 0.000 2.077 347 D HA -0.148 4.492 4.640 0.001 0.000 0.196 347 D C 1.703 178.074 176.300 0.118 0.000 0.986 347 D CA 1.637 55.691 54.000 0.091 0.000 0.829 347 D CB -0.131 40.685 40.800 0.026 0.000 0.983 347 D HN 0.314 nan 8.370 nan 0.000 0.453 348 A N 0.927 123.832 122.820 0.142 0.000 1.903 348 A HA -0.237 4.084 4.320 0.001 0.000 0.219 348 A C 2.370 180.054 177.584 0.167 0.000 1.191 348 A CA 1.694 53.856 52.037 0.208 0.000 0.638 348 A CB -0.979 18.212 19.000 0.318 0.000 0.823 348 A HN 0.394 nan 8.150 nan 0.000 0.451 349 I N -0.296 120.398 120.570 0.207 0.000 2.756 349 I HA -0.150 4.021 4.170 0.001 0.000 0.262 349 I C 1.503 177.704 176.117 0.139 0.000 1.225 349 I CA 1.306 62.709 61.300 0.172 0.000 1.472 349 I CB -0.223 37.947 38.000 0.284 0.000 1.094 349 I HN 0.285 nan 8.210 nan 0.000 0.454 350 D N 0.028 120.507 120.400 0.133 0.000 2.202 350 D HA -0.048 4.593 4.640 0.001 0.000 0.214 350 D C 2.239 178.587 176.300 0.081 0.000 0.967 350 D CA 0.668 54.731 54.000 0.105 0.000 0.871 350 D CB -0.008 40.852 40.800 0.099 0.000 1.020 350 D HN 0.262 nan 8.370 nan 0.000 0.474 351 R N 0.904 121.452 120.500 0.079 0.000 2.159 351 R HA -0.182 4.159 4.340 0.001 0.000 0.252 351 R C 2.537 178.869 176.300 0.053 0.000 1.144 351 R CA 1.246 57.385 56.100 0.064 0.000 0.961 351 R CB -0.631 29.714 30.300 0.075 0.000 0.877 351 R HN 0.286 nan 8.270 nan 0.000 0.444 352 I N 0.696 121.297 120.570 0.051 0.000 2.194 352 I HA -0.309 3.862 4.170 0.001 0.000 0.246 352 I C 2.377 178.513 176.117 0.031 0.000 1.093 352 I CA 1.559 62.876 61.300 0.028 0.000 1.355 352 I CB -0.466 37.539 38.000 0.009 0.000 1.046 352 I HN 0.173 nan 8.210 nan 0.000 0.413 353 I N 0.587 121.186 120.570 0.047 0.000 2.339 353 I HA -0.175 3.996 4.170 0.001 0.000 0.245 353 I C 2.076 178.220 176.117 0.046 0.000 1.096 353 I CA 1.121 62.450 61.300 0.049 0.000 1.408 353 I CB -0.506 37.534 38.000 0.067 0.000 1.092 353 I HN 0.122 nan 8.210 nan 0.000 0.423 354 K N 1.021 121.450 120.400 0.049 0.000 2.574 354 K HA -0.155 4.166 4.320 0.001 0.000 0.193 354 K C 1.698 178.320 176.600 0.036 0.000 1.035 354 K CA 0.808 57.120 56.287 0.043 0.000 0.982 354 K CB -0.008 32.519 32.500 0.044 0.000 0.795 354 K HN 0.143 nan 8.250 nan 0.000 0.491 355 K N -0.335 120.086 120.400 0.034 0.000 2.412 355 K HA 0.196 4.517 4.320 0.001 0.000 0.202 355 K C 1.491 178.107 176.600 0.028 0.000 1.102 355 K CA 0.248 56.552 56.287 0.028 0.000 1.027 355 K CB 0.526 33.041 32.500 0.026 0.000 0.931 355 K HN 0.042 nan 8.250 nan 0.000 0.557 356 A N 0.829 123.667 122.820 0.029 0.000 1.903 356 A HA 0.011 4.332 4.320 0.001 0.000 0.213 356 A C 1.447 179.057 177.584 0.043 0.000 1.185 356 A CA 0.998 53.055 52.037 0.033 0.000 0.628 356 A CB -0.281 18.734 19.000 0.025 0.000 0.830 356 A HN 0.267 nan 8.150 nan 0.000 0.446 357 N N 0.160 118.885 118.700 0.040 0.000 2.467 357 N HA -0.057 4.683 4.740 0.001 0.000 0.184 357 N C 1.648 177.178 175.510 0.034 0.000 1.106 357 N CA 0.899 53.973 53.050 0.040 0.000 0.892 357 N CB -0.013 38.498 38.487 0.040 0.000 0.969 357 N HN 0.444 nan 8.380 nan 0.000 0.454 358 S N 0.622 116.341 115.700 0.032 0.000 2.399 358 S HA -0.116 4.355 4.470 0.001 0.000 0.235 358 S C 0.808 175.422 174.600 0.023 0.000 1.063 358 S CA 1.040 59.256 58.200 0.026 0.000 1.070 358 S CB 0.032 63.247 63.200 0.025 0.000 0.904 358 S HN 0.226 nan 8.310 nan 0.000 0.456 359 I N 0.587 121.173 120.570 0.026 0.000 2.545 359 I HA 0.250 4.421 4.170 0.001 0.000 0.292 359 I C -0.109 176.019 176.117 0.018 0.000 1.040 359 I CA -0.451 60.861 61.300 0.020 0.000 1.068 359 I CB 2.276 40.288 38.000 0.019 0.000 1.251 359 I HN 0.171 nan 8.210 nan 0.000 0.424 360 S N 2.276 117.982 115.700 0.010 0.000 2.560 360 S HA 0.333 4.803 4.470 0.001 0.000 0.227 360 S C -0.052 174.542 174.600 -0.011 0.000 1.280 360 S CA -0.477 57.727 58.200 0.006 0.000 1.260 360 S CB -0.404 62.802 63.200 0.010 0.000 1.002 360 S HN 0.748 nan 8.310 nan 0.000 0.509 361 T N -1.201 113.339 114.554 -0.023 0.000 2.993 361 T HA 0.620 4.970 4.350 0.001 0.000 0.312 361 T C -0.644 174.002 174.700 -0.089 0.000 1.115 361 T CA -0.806 61.266 62.100 -0.046 0.000 1.027 361 T CB 0.878 69.728 68.868 -0.030 0.000 1.116 361 T HN 0.306 nan 8.240 nan 0.000 0.464 362 I N 3.407 123.890 120.570 -0.146 0.000 2.312 362 I HA 0.299 4.469 4.170 0.001 0.000 0.291 362 I C -2.046 173.965 176.117 -0.177 0.000 1.031 362 I CA -2.276 58.860 61.300 -0.274 0.000 1.293 362 I CB 1.071 38.843 38.000 -0.379 0.000 1.403 362 I HN 0.464 nan 8.210 nan 0.000 0.484 363 P HA -0.090 nan 4.420 nan 0.000 0.259 363 P C 0.949 178.234 177.300 -0.024 0.000 1.163 363 P CA 0.302 63.386 63.100 -0.026 0.000 0.760 363 P CB 0.520 32.252 31.700 0.054 0.000 0.762 364 S N 2.692 118.384 115.700 -0.013 0.000 2.392 364 S HA -0.251 4.219 4.470 0.001 0.000 0.232 364 S C 1.329 175.941 174.600 0.020 0.000 1.041 364 S CA 1.583 59.777 58.200 -0.011 0.000 1.026 364 S CB -0.824 62.368 63.200 -0.013 0.000 0.845 364 S HN 0.641 nan 8.310 nan 0.000 0.465 365 N N 1.585 120.318 118.700 0.054 0.000 2.383 365 N HA -0.032 4.708 4.740 0.001 0.000 0.192 365 N C -0.594 175.047 175.510 0.219 0.000 1.141 365 N CA 0.276 53.388 53.050 0.102 0.000 0.851 365 N CB -0.911 37.630 38.487 0.090 0.000 0.976 365 N HN 0.263 nan 8.380 nan 0.000 0.465 366 N N 0.359 119.186 118.700 0.212 0.000 2.667 366 N HA -0.126 4.615 4.740 0.001 0.000 0.263 366 N C -0.061 175.683 175.510 0.391 0.000 1.038 366 N CA 1.314 54.587 53.050 0.372 0.000 0.749 366 N CB -1.369 37.489 38.487 0.618 0.000 0.892 366 N HN 0.684 nan 8.380 nan 0.000 0.546 367 G N -1.712 107.261 108.800 0.287 0.000 2.788 367 G HA2 0.585 4.545 3.960 0.001 0.000 0.293 367 G HA3 0.585 4.545 3.960 0.001 0.000 0.293 367 G C -0.177 174.799 174.900 0.127 0.000 1.305 367 G CA -0.635 44.559 45.100 0.158 0.000 1.005 367 G HN 0.137 nan 8.290 nan 0.000 0.496 368 V N 1.383 121.305 119.914 0.013 0.000 2.539 368 V HA 0.034 4.154 4.120 0.001 0.000 0.294 368 V C 0.981 177.089 176.094 0.024 0.000 0.994 368 V CA 0.397 62.678 62.300 -0.031 0.000 1.169 368 V CB -0.357 31.438 31.823 -0.046 0.000 0.898 368 V HN 0.683 nan 8.190 nan 0.000 0.471 369 T N 5.201 119.775 114.554 0.032 0.000 2.898 369 T HA 0.082 4.432 4.350 0.001 0.000 0.301 369 T C 1.372 176.083 174.700 0.019 0.000 1.049 369 T CA -0.378 61.762 62.100 0.066 0.000 1.095 369 T CB 0.859 69.791 68.868 0.106 0.000 0.976 369 T HN 0.785 nan 8.240 nan 0.000 0.539 370 E N 0.992 121.206 120.200 0.023 0.000 2.209 370 E HA -0.174 4.177 4.350 0.001 0.000 0.196 370 E C 2.315 178.916 176.600 0.001 0.000 0.993 370 E CA 0.917 57.322 56.400 0.008 0.000 0.819 370 E CB -0.113 29.593 29.700 0.010 0.000 0.745 370 E HN 0.710 nan 8.360 nan 0.000 0.477 371 A N 1.083 123.907 122.820 0.007 0.000 1.858 371 A HA -0.192 4.128 4.320 0.001 0.000 0.216 371 A C 2.422 179.993 177.584 -0.021 0.000 1.190 371 A CA 1.960 53.996 52.037 -0.001 0.000 0.617 371 A CB -0.983 18.022 19.000 0.008 0.000 0.827 371 A HN 0.176 nan 8.150 nan 0.000 0.443 372 T N 0.007 114.536 114.554 -0.041 0.000 2.699 372 T HA -0.155 4.195 4.350 0.001 0.000 0.268 372 T C 1.835 176.504 174.700 -0.052 0.000 1.036 372 T CA 1.793 63.851 62.100 -0.070 0.000 1.147 372 T CB -0.527 68.277 68.868 -0.108 0.000 0.862 372 T HN 0.194 nan 8.240 nan 0.000 0.446 373 V N 1.771 121.663 119.914 -0.037 0.000 2.515 373 V HA -0.133 3.988 4.120 0.001 0.000 0.250 373 V C 2.416 178.497 176.094 -0.022 0.000 1.058 373 V CA 1.565 63.848 62.300 -0.029 0.000 1.064 373 V CB -0.530 31.280 31.823 -0.022 0.000 0.675 373 V HN 0.528 nan 8.190 nan 0.000 0.461 374 D N 0.884 121.275 120.400 -0.015 0.000 2.085 374 D HA -0.086 4.554 4.640 0.001 0.000 0.199 374 D C 1.375 177.678 176.300 0.005 0.000 0.981 374 D CA 1.547 55.544 54.000 -0.004 0.000 0.834 374 D CB -0.138 40.664 40.800 0.003 0.000 0.992 374 D HN 0.566 nan 8.370 nan 0.000 0.457 378 R N 1.639 122.156 120.500 0.028 0.000 2.066 378 R HA 0.299 4.640 4.340 0.001 0.000 0.224 378 R C 2.038 178.491 176.300 0.254 0.000 1.122 378 R CA 0.833 56.992 56.100 0.097 0.000 0.974 378 R CB -0.975 29.439 30.300 0.189 0.000 0.871 378 R HN 0.369 nan 8.270 nan 0.000 0.435 379 L N 0.352 121.717 121.223 0.237 0.000 2.012 379 L HA -0.181 4.160 4.340 0.001 0.000 0.210 379 L C 2.828 179.860 176.870 0.271 0.000 1.073 379 L CA 1.453 56.467 54.840 0.290 0.000 0.748 379 L CB -0.399 41.692 42.059 0.054 0.000 0.891 379 L HN 0.175 nan 8.230 nan 0.000 0.431 380 R N 0.485 121.055 120.500 0.116 0.000 2.113 380 R HA -0.289 4.052 4.340 0.001 0.000 0.244 380 R C 2.327 178.669 176.300 0.071 0.000 1.142 380 R CA 2.167 58.310 56.100 0.072 0.000 0.953 380 R CB -0.147 30.160 30.300 0.012 0.000 0.860 380 R HN 0.054 nan 8.270 nan 0.000 0.438 381 K N -0.313 120.065 120.400 -0.038 0.000 2.127 381 K HA -0.186 4.135 4.320 0.001 0.000 0.208 381 K C 1.696 178.242 176.600 -0.091 0.000 1.047 381 K CA 1.918 58.037 56.287 -0.280 0.000 0.927 381 K CB -0.363 31.642 32.500 -0.824 0.000 0.716 381 K HN 0.155 nan 8.250 nan 0.000 0.450 382 F N 0.588 120.647 119.950 0.182 0.000 2.051 382 F HA -0.244 4.284 4.527 0.001 0.000 0.296 382 F C 2.708 178.710 175.800 0.336 0.000 1.122 382 F CA 1.863 60.151 58.000 0.481 0.000 1.201 382 F CB -0.933 38.328 39.000 0.434 0.000 0.978 382 F HN 0.177 nan 8.300 nan 0.000 0.472 383 S N 0.057 115.999 115.700 0.404 0.000 2.400 383 S HA -0.313 4.158 4.470 0.001 0.000 0.234 383 S C 1.677 176.369 174.600 0.153 0.000 1.049 383 S CA 1.822 60.161 58.200 0.231 0.000 1.039 383 S CB -0.987 62.297 63.200 0.141 0.000 0.856 383 S HN 0.562 nan 8.310 nan 0.000 0.465 384 E N 0.030 120.301 120.200 0.119 0.000 2.396 384 E HA -0.105 4.246 4.350 0.001 0.000 0.200 384 E C -0.161 176.307 176.600 -0.219 0.000 1.023 384 E CA 0.899 57.256 56.400 -0.072 0.000 0.857 384 E CB -0.178 29.426 29.700 -0.161 0.000 0.775 384 E HN 0.822 nan 8.360 nan 0.000 0.525 385 Y N -0.028 120.322 120.300 0.084 0.000 2.617 385 Y HA 0.192 4.743 4.550 0.001 0.000 0.328 385 Y C 1.220 177.074 175.900 -0.076 0.000 0.946 385 Y CA -0.600 57.512 58.100 0.020 0.000 1.241 385 Y CB 0.212 38.712 38.460 0.066 0.000 1.226 385 Y HN -0.163 nan 8.280 nan 0.000 0.582 386 K N 1.082 121.529 120.400 0.079 0.000 1.990 386 K HA -0.279 4.041 4.320 0.001 0.000 0.225 386 K C 1.554 178.152 176.600 -0.003 0.000 1.053 386 K CA 2.402 58.719 56.287 0.051 0.000 0.982 386 K CB -0.118 32.409 32.500 0.044 0.000 0.734 386 K HN 0.394 nan 8.250 nan 0.000 0.448 387 N N -0.148 118.552 118.700 -0.001 0.000 2.187 387 N HA -0.197 4.544 4.740 0.001 0.000 0.194 387 N C 1.721 177.197 175.510 -0.058 0.000 1.002 387 N CA 1.666 54.709 53.050 -0.012 0.000 0.882 387 N CB -0.507 37.986 38.487 0.009 0.000 1.003 387 N HN 0.550 nan 8.380 nan 0.000 0.443 388 G N -0.363 108.363 108.800 -0.123 0.000 2.603 388 G HA2 -0.100 3.861 3.960 0.001 0.000 0.214 388 G HA3 -0.100 3.861 3.960 0.001 0.000 0.214 388 G C 1.737 176.357 174.900 -0.467 0.000 1.140 388 G CA 0.232 45.164 45.100 -0.279 0.000 0.800 388 G HN 0.345 nan 8.290 nan 0.000 0.533 389 C N 0.542 119.615 119.300 -0.379 0.000 2.448 389 C HA 0.174 4.634 4.460 0.001 0.000 0.280 389 C C 2.538 177.492 174.990 -0.059 0.000 1.398 389 C CA 0.062 59.009 59.018 -0.119 0.000 1.774 389 C CB -0.539 27.274 27.740 0.121 0.000 1.888 389 C HN 0.293 nan 8.230 nan 0.000 0.519 390 L N 0.733 121.889 121.223 -0.112 0.000 2.084 390 L HA 0.120 4.461 4.340 0.001 0.000 0.202 390 L C 2.804 179.481 176.870 -0.322 0.000 1.074 390 L CA 2.182 56.897 54.840 -0.208 0.000 0.757 390 L CB -2.315 39.672 42.059 -0.120 0.000 0.918 390 L HN 0.352 nan 8.230 nan 0.000 0.444 391 G N -0.147 108.545 108.800 -0.180 0.000 2.626 391 G HA2 -0.139 3.822 3.960 0.001 0.000 0.224 391 G HA3 -0.139 3.822 3.960 0.001 0.000 0.224 391 G C 0.737 175.579 174.900 -0.097 0.000 1.095 391 G CA 1.243 46.271 45.100 -0.120 0.000 0.738 391 G HN 0.541 nan 8.290 nan 0.000 0.600 395 N N -0.042 118.713 118.700 0.092 0.000 2.747 395 N HA -0.173 4.567 4.740 0.001 0.000 0.249 395 N C -1.013 174.507 175.510 0.017 0.000 1.107 395 N CA 0.653 53.728 53.050 0.042 0.000 0.707 395 N CB -0.809 37.702 38.487 0.040 0.000 1.054 395 N HN 0.459 nan 8.380 nan 0.000 0.555 396 I N 0.899 121.476 120.570 0.012 0.000 2.540 396 I HA 0.099 4.269 4.170 0.001 0.000 0.280 396 I C 0.434 176.498 176.117 -0.088 0.000 1.083 396 I CA -0.516 60.769 61.300 -0.025 0.000 1.080 396 I CB 1.674 39.667 38.000 -0.011 0.000 1.205 396 I HN -0.029 nan 8.210 nan 0.000 0.459 397 T N 3.670 118.124 114.554 -0.167 0.000 2.868 397 T HA 0.163 4.513 4.350 0.001 0.000 0.292 397 T C 1.358 175.709 174.700 -0.581 0.000 1.028 397 T CA -0.236 61.680 62.100 -0.306 0.000 1.059 397 T CB 0.791 69.493 68.868 -0.277 0.000 0.991 397 T HN 0.804 nan 8.240 nan 0.000 0.531 398 R N 2.051 122.001 120.500 -0.917 0.000 2.357 398 R HA 0.037 4.378 4.340 0.001 0.000 0.202 398 R C 1.163 176.707 176.300 -1.260 0.000 1.047 398 R CA 0.896 55.906 56.100 -1.817 0.000 1.034 398 R CB -0.038 29.301 30.300 -1.602 0.000 0.875 398 R HN 0.590 nan 8.270 nan 0.000 0.473 399 E N 1.108 120.902 120.200 -0.677 0.000 2.208 399 E HA -0.091 4.260 4.350 0.001 0.000 0.193 399 E C 0.843 177.276 176.600 -0.279 0.000 0.988 399 E CA 0.476 56.640 56.400 -0.393 0.000 0.828 399 E CB -0.208 29.359 29.700 -0.222 0.000 0.763 399 E HN 0.481 nan 8.360 nan 0.000 0.478 400 N N 0.460 118.993 118.700 -0.279 0.000 2.635 400 N HA -0.140 4.601 4.740 0.001 0.000 0.191 400 N C 0.882 176.471 175.510 0.131 0.000 1.155 400 N CA 0.847 53.860 53.050 -0.062 0.000 0.927 400 N CB -0.039 38.432 38.487 -0.026 0.000 0.976 400 N HN 0.414 nan 8.380 nan 0.000 0.448 401 W N -0.542 120.768 121.300 0.017 0.000 2.007 401 W HA 0.472 5.133 4.660 0.001 0.000 0.301 401 W C -0.950 175.620 176.519 0.085 0.000 0.887 401 W CA -0.646 56.752 57.345 0.089 0.000 1.625 401 W CB -0.507 29.046 29.460 0.155 0.000 1.078 401 W HN -0.324 nan 8.180 nan 0.000 0.502 402 L N 2.113 123.410 121.223 0.124 0.000 2.319 402 L HA 0.649 4.990 4.340 0.001 0.000 0.267 402 L C -1.877 175.068 176.870 0.126 0.000 1.011 402 L CA -2.277 52.604 54.840 0.069 0.000 0.818 402 L CB 1.340 43.168 42.059 -0.385 0.000 1.316 402 L HN -0.429 nan 8.230 nan 0.000 0.432 403 P HA 0.016 nan 4.420 nan 0.000 0.264 403 P C 0.365 177.796 177.300 0.218 0.000 1.179 403 P CA 0.228 63.452 63.100 0.206 0.000 0.763 403 P CB 0.596 32.440 31.700 0.241 0.000 0.806 404 S N 0.898 116.686 115.700 0.146 0.000 2.392 404 S HA -0.148 4.322 4.470 0.001 0.000 0.232 404 S C 0.892 175.550 174.600 0.098 0.000 1.041 404 S CA 1.422 59.687 58.200 0.108 0.000 1.026 404 S CB -0.750 62.491 63.200 0.068 0.000 0.845 404 S HN 0.694 nan 8.310 nan 0.000 0.465 405 N N 0.453 119.215 118.700 0.104 0.000 2.573 405 N HA 0.292 5.032 4.740 0.001 0.000 0.262 405 N C -1.226 174.346 175.510 0.104 0.000 1.029 405 N CA -0.675 52.394 53.050 0.032 0.000 0.882 405 N CB 0.756 39.252 38.487 0.016 0.000 1.204 405 N HN 0.369 nan 8.380 nan 0.000 0.519 406 Y N -0.765 119.552 120.300 0.028 0.000 2.446 406 Y HA 0.577 5.127 4.550 0.001 0.000 0.345 406 Y C -0.621 175.313 175.900 0.057 0.000 0.984 406 Y CA -1.191 56.952 58.100 0.071 0.000 1.058 406 Y CB 1.470 39.962 38.460 0.052 0.000 1.220 406 Y HN 0.119 nan 8.280 nan 0.000 0.455 407 K N 3.430 123.975 120.400 0.242 0.000 2.297 407 K HA 0.135 4.455 4.320 0.001 0.000 0.286 407 K C 0.265 177.045 176.600 0.300 0.000 1.053 407 K CA -0.277 56.104 56.287 0.156 0.000 0.940 407 K CB 1.288 33.880 32.500 0.154 0.000 1.019 407 K HN 0.858 nan 8.250 nan 0.000 0.475 408 E N 1.828 122.122 120.200 0.157 0.000 2.209 408 E HA -0.244 4.107 4.350 0.001 0.000 0.196 408 E C 1.536 178.282 176.600 0.243 0.000 0.993 408 E CA 1.133 57.652 56.400 0.198 0.000 0.819 408 E CB 0.108 29.861 29.700 0.087 0.000 0.745 408 E HN 0.326 nan 8.360 nan 0.000 0.477 409 K N 1.867 122.384 120.400 0.195 0.000 2.057 409 K HA -0.163 4.157 4.320 0.001 0.000 0.207 409 K C 1.202 177.922 176.600 0.200 0.000 1.049 409 K CA 1.352 57.737 56.287 0.164 0.000 0.931 409 K CB -0.065 32.502 32.500 0.110 0.000 0.714 409 K HN 0.036 nan 8.250 nan 0.000 0.440 410 E N -0.520 119.841 120.200 0.270 0.000 2.495 410 E HA -0.088 4.263 4.350 0.001 0.000 0.204 410 E C -0.593 176.005 176.600 -0.003 0.000 1.163 410 E CA 0.220 56.708 56.400 0.147 0.000 0.922 410 E CB -0.121 29.655 29.700 0.127 0.000 0.918 410 E HN 0.247 nan 8.360 nan 0.000 0.537 411 Y N -1.775 118.568 120.300 0.072 0.000 2.638 411 Y HA 0.150 4.701 4.550 0.001 0.000 0.339 411 Y C 1.109 177.037 175.900 0.046 0.000 1.084 411 Y CA -1.246 56.890 58.100 0.060 0.000 1.068 411 Y CB 1.443 39.947 38.460 0.073 0.000 1.294 411 Y HN -0.170 nan 8.280 nan 0.000 0.480 412 T N -1.393 113.286 114.554 0.209 0.000 3.176 412 T HA 0.286 4.636 4.350 0.001 0.000 0.263 412 T C -0.366 174.415 174.700 0.135 0.000 1.021 412 T CA -0.118 62.055 62.100 0.122 0.000 0.905 412 T CB -0.355 68.551 68.868 0.062 0.000 1.057 412 T HN 0.211 nan 8.240 nan 0.000 0.558 413 L N 1.755 123.086 121.223 0.181 0.000 2.305 413 L HA 0.519 4.859 4.340 0.001 0.000 0.281 413 L C 0.564 177.517 176.870 0.138 0.000 1.085 413 L CA 0.519 55.462 54.840 0.170 0.000 0.813 413 L CB 1.063 43.243 42.059 0.202 0.000 1.157 413 L HN 0.241 nan 8.230 nan 0.000 0.436 414 Q N 1.405 121.277 119.800 0.120 0.000 2.399 414 Q HA 0.079 4.419 4.340 0.001 0.000 0.181 414 Q C 0.383 176.435 176.000 0.088 0.000 0.699 414 Q CA 0.178 56.038 55.803 0.095 0.000 0.910 414 Q CB 0.112 28.893 28.738 0.071 0.000 1.256 414 Q HN 0.795 nan 8.270 nan 0.000 0.414 415 N N 2.513 121.256 118.700 0.073 0.000 2.581 415 N HA -0.068 4.672 4.740 0.001 0.000 0.230 415 N C -0.891 174.655 175.510 0.060 0.000 1.310 415 N CA 0.365 53.447 53.050 0.052 0.000 0.886 415 N CB -0.157 38.346 38.487 0.027 0.000 1.205 415 N HN 0.279 nan 8.380 nan 0.000 0.488 416 E N 0.734 121.003 120.200 0.116 0.000 2.468 416 E HA -0.019 4.332 4.350 0.001 0.000 0.236 416 E C -0.077 176.583 176.600 0.101 0.000 1.240 416 E CA 0.104 56.611 56.400 0.180 0.000 0.965 416 E CB -0.290 29.556 29.700 0.244 0.000 1.087 416 E HN 0.574 nan 8.360 nan 0.000 0.470 417 A N 3.999 126.823 122.820 0.006 0.000 2.843 417 A HA 0.263 4.583 4.320 0.001 0.000 0.248 417 A C -0.343 177.167 177.584 -0.123 0.000 0.904 417 A CA -0.497 51.523 52.037 -0.028 0.000 1.091 417 A CB 0.315 19.305 19.000 -0.017 0.000 1.208 417 A HN 0.335 nan 8.150 nan 0.000 0.476 418 L N 0.955 122.019 121.223 -0.264 0.000 2.329 418 L HA 0.396 4.737 4.340 0.001 0.000 0.279 418 L C 0.059 176.646 176.870 -0.472 0.000 1.014 418 L CA -1.103 53.453 54.840 -0.473 0.000 0.814 418 L CB 1.559 43.096 42.059 -0.870 0.000 1.257 418 L HN 0.445 nan 8.230 nan 0.000 0.424 419 N N 1.779 120.309 118.700 -0.283 0.000 3.167 419 N HA -0.081 4.660 4.740 0.001 0.000 0.318 419 N C 0.535 175.995 175.510 -0.084 0.000 1.268 419 N CA -0.213 52.755 53.050 -0.136 0.000 1.197 419 N CB -0.231 38.208 38.487 -0.081 0.000 1.464 419 N HN 0.738 nan 8.380 nan 0.000 0.555 420 W N 0.422 121.714 121.300 -0.014 0.000 2.310 420 W HA -0.217 4.444 4.660 0.001 0.000 0.278 420 W C 1.968 178.462 176.519 -0.041 0.000 1.182 420 W CA 0.542 57.877 57.345 -0.017 0.000 1.147 420 W CB -0.045 29.400 29.460 -0.026 0.000 1.135 420 W HN 0.321 nan 8.180 nan 0.000 0.566 421 E N 0.477 120.750 120.200 0.121 0.000 2.076 421 E HA -0.146 4.204 4.350 0.001 0.000 0.190 421 E C 0.615 177.151 176.600 -0.107 0.000 0.979 421 E CA 0.786 57.192 56.400 0.010 0.000 0.807 421 E CB -0.604 29.088 29.700 -0.014 0.000 0.761 421 E HN 0.138 nan 8.360 nan 0.000 0.454 422 D N 0.310 120.660 120.400 -0.083 0.000 2.434 422 D HA -0.099 4.541 4.640 0.001 0.000 0.252 422 D C 0.928 177.195 176.300 -0.054 0.000 1.185 422 D CA 0.025 53.955 54.000 -0.117 0.000 0.886 422 D CB 0.528 41.291 40.800 -0.062 0.000 1.148 422 D HN 0.165 nan 8.370 nan 0.000 0.483 423 H N 4.450 123.549 119.070 0.048 0.000 2.289 423 H HA -0.170 4.387 4.556 0.001 0.000 0.296 423 H C 1.552 176.914 175.328 0.057 0.000 1.091 423 H CA 1.242 57.323 56.048 0.055 0.000 1.274 423 H CB -0.125 29.659 29.762 0.037 0.000 1.364 423 H HN 0.574 nan 8.280 nan 0.000 0.490 424 N N 0.637 119.437 118.700 0.166 0.000 2.069 424 N HA -0.148 4.593 4.740 0.001 0.000 0.196 424 N C 2.156 177.712 175.510 0.076 0.000 1.024 424 N CA 1.400 54.511 53.050 0.101 0.000 0.869 424 N CB -0.672 37.851 38.487 0.061 0.000 1.035 424 N HN 0.147 nan 8.380 nan 0.000 0.434 425 V N 1.692 121.626 119.914 0.032 0.000 2.407 425 V HA -0.155 3.965 4.120 0.001 0.000 0.248 425 V C 2.483 178.621 176.094 0.072 0.000 1.055 425 V CA 1.022 63.300 62.300 -0.037 0.000 1.049 425 V CB -0.456 31.253 31.823 -0.190 0.000 0.662 425 V HN 0.228 nan 8.190 nan 0.000 0.455 426 L N -0.940 120.405 121.223 0.204 0.000 1.973 426 L HA -0.167 4.173 4.340 0.001 0.000 0.208 426 L C 2.478 179.563 176.870 0.358 0.000 1.073 426 L CA 1.415 56.498 54.840 0.406 0.000 0.746 426 L CB -0.505 41.790 42.059 0.393 0.000 0.891 426 L HN 0.315 nan 8.230 nan 0.000 0.433 427 L N -0.400 120.951 121.223 0.213 0.000 2.021 427 L HA -0.303 4.037 4.340 0.001 0.000 0.215 427 L C 2.757 179.730 176.870 0.171 0.000 1.074 427 L CA 2.351 57.285 54.840 0.158 0.000 0.760 427 L CB -1.141 40.995 42.059 0.128 0.000 0.889 427 L HN 0.358 nan 8.230 nan 0.000 0.433 428 S N -1.711 114.067 115.700 0.130 0.000 2.359 428 S HA -0.277 4.194 4.470 0.001 0.000 0.224 428 S C 2.371 177.036 174.600 0.109 0.000 1.035 428 S CA 1.653 59.902 58.200 0.081 0.000 1.018 428 S CB -1.066 62.160 63.200 0.043 0.000 0.876 428 S HN 0.743 nan 8.310 nan 0.000 0.448 429 C N 0.858 120.285 119.300 0.212 0.000 2.393 429 C HA -0.094 4.366 4.460 0.001 0.000 0.276 429 C C 2.267 177.453 174.990 0.328 0.000 1.215 429 C CA 1.265 60.482 59.018 0.332 0.000 1.743 429 C CB -2.078 26.020 27.740 0.596 0.000 2.044 429 C HN 0.722 nan 8.230 nan 0.000 0.464 430 F N 1.953 121.962 119.950 0.098 0.000 2.024 430 F HA -0.191 4.336 4.527 0.001 0.000 0.296 430 F C 2.006 177.658 175.800 -0.248 0.000 1.137 430 F CA 2.362 60.099 58.000 -0.438 0.000 1.200 430 F CB -1.080 37.373 39.000 -0.912 0.000 0.954 430 F HN 0.311 nan 8.300 nan 0.000 0.497 431 I N -0.186 120.100 120.570 -0.474 0.000 2.143 431 I HA -0.430 3.740 4.170 0.001 0.000 0.245 431 I C 2.483 178.394 176.117 -0.345 0.000 1.068 431 I CA 1.889 62.877 61.300 -0.519 0.000 1.326 431 I CB -1.026 36.846 38.000 -0.213 0.000 1.028 431 I HN 0.184 nan 8.210 nan 0.000 0.412 432 S N 0.172 115.781 115.700 -0.153 0.000 2.399 432 S HA -0.173 4.298 4.470 0.001 0.000 0.231 432 S C 1.518 176.098 174.600 -0.034 0.000 1.022 432 S CA 1.304 59.463 58.200 -0.069 0.000 0.983 432 S CB -0.296 62.915 63.200 0.018 0.000 0.803 432 S HN 0.446 nan 8.310 nan 0.000 0.480 433 D N 0.952 121.353 120.400 0.001 0.000 2.103 433 D HA -0.024 4.616 4.640 0.001 0.000 0.199 433 D C 2.135 178.397 176.300 -0.064 0.000 0.978 433 D CA 0.734 54.813 54.000 0.132 0.000 0.829 433 D CB -0.625 40.408 40.800 0.389 0.000 0.981 433 D HN 0.334 nan 8.370 nan 0.000 0.464 434 C N 1.064 120.182 119.300 -0.303 0.000 2.388 434 C HA -0.159 4.302 4.460 0.001 0.000 0.277 434 C C 2.865 177.734 174.990 -0.201 0.000 1.210 434 C CA 0.265 59.095 59.018 -0.313 0.000 1.743 434 C CB -1.084 26.341 27.740 -0.525 0.000 2.047 434 C HN 0.345 nan 8.230 nan 0.000 0.458 435 I N 1.148 121.596 120.570 -0.202 0.000 2.118 435 I HA -0.260 3.911 4.170 0.001 0.000 0.241 435 I C 2.127 178.163 176.117 -0.135 0.000 1.070 435 I CA 2.126 63.335 61.300 -0.152 0.000 1.327 435 I CB -0.915 37.003 38.000 -0.136 0.000 1.034 435 I HN 0.340 nan 8.210 nan 0.000 0.405 436 D N 0.588 120.908 120.400 -0.132 0.000 2.116 436 D HA -0.166 4.475 4.640 0.001 0.000 0.193 436 D C 2.140 178.294 176.300 -0.243 0.000 0.998 436 D CA 1.827 55.720 54.000 -0.178 0.000 0.836 436 D CB -0.326 40.347 40.800 -0.212 0.000 0.951 436 D HN 0.270 nan 8.370 nan 0.000 0.449 437 T N 0.864 115.277 114.554 -0.235 0.000 2.555 437 T HA -0.203 4.148 4.350 0.001 0.000 0.264 437 T C 1.849 176.477 174.700 -0.121 0.000 1.083 437 T CA 1.286 63.276 62.100 -0.183 0.000 1.179 437 T CB -0.649 68.177 68.868 -0.071 0.000 0.863 437 T HN 0.080 nan 8.240 nan 0.000 0.412 438 L N 1.862 123.021 121.223 -0.106 0.000 1.991 438 L HA -0.204 4.136 4.340 0.001 0.000 0.221 438 L C 2.557 179.358 176.870 -0.115 0.000 1.079 438 L CA 2.497 57.279 54.840 -0.096 0.000 0.778 438 L CB -1.387 40.608 42.059 -0.107 0.000 0.893 438 L HN 0.273 nan 8.230 nan 0.000 0.437 439 A N -1.034 121.708 122.820 -0.131 0.000 1.883 439 A HA -0.177 4.144 4.320 0.001 0.000 0.217 439 A C 2.268 179.799 177.584 -0.090 0.000 1.186 439 A CA 2.585 54.532 52.037 -0.150 0.000 0.624 439 A CB -1.298 17.666 19.000 -0.060 0.000 0.822 439 A HN 0.405 nan 8.150 nan 0.000 0.444 440 V N 0.962 120.849 119.914 -0.044 0.000 2.261 440 V HA -0.282 3.838 4.120 0.001 0.000 0.246 440 V C 2.348 178.447 176.094 0.009 0.000 1.047 440 V CA 2.136 64.436 62.300 0.001 0.000 1.015 440 V CB -1.026 30.756 31.823 -0.067 0.000 0.642 440 V HN 0.567 nan 8.190 nan 0.000 0.446 441 N N 0.031 118.724 118.700 -0.012 0.000 2.104 441 N HA -0.150 4.591 4.740 0.001 0.000 0.190 441 N C 1.711 177.242 175.510 0.035 0.000 1.024 441 N CA 1.285 54.346 53.050 0.018 0.000 0.853 441 N CB -0.341 38.154 38.487 0.013 0.000 1.008 441 N HN 0.253 nan 8.380 nan 0.000 0.424 442 L N 1.974 123.202 121.223 0.009 0.000 2.012 442 L HA -0.134 4.206 4.340 0.001 0.000 0.210 442 L C 2.371 179.322 176.870 0.135 0.000 1.073 442 L CA 1.488 56.370 54.840 0.071 0.000 0.748 442 L CB -1.048 40.976 42.059 -0.059 0.000 0.891 442 L HN 0.259 nan 8.230 nan 0.000 0.431 443 E N -0.843 119.392 120.200 0.057 0.000 2.160 443 E HA -0.291 4.059 4.350 0.001 0.000 0.195 443 E C 2.277 178.956 176.600 0.131 0.000 0.991 443 E CA 0.956 57.423 56.400 0.111 0.000 0.810 443 E CB 0.156 29.924 29.700 0.113 0.000 0.742 443 E HN 0.248 nan 8.360 nan 0.000 0.466 444 R N 1.522 122.083 120.500 0.100 0.000 2.092 444 R HA -0.172 4.169 4.340 0.001 0.000 0.226 444 R C 2.419 178.771 176.300 0.085 0.000 1.140 444 R CA 2.367 58.521 56.100 0.089 0.000 0.910 444 R CB -0.494 29.849 30.300 0.072 0.000 0.822 444 R HN 0.011 nan 8.270 nan 0.000 0.433 445 K N -0.033 120.414 120.400 0.078 0.000 2.107 445 K HA -0.235 4.085 4.320 0.001 0.000 0.211 445 K C 1.843 178.477 176.600 0.057 0.000 1.049 445 K CA 1.993 58.318 56.287 0.064 0.000 0.927 445 K CB -0.426 32.114 32.500 0.067 0.000 0.714 445 K HN 0.299 nan 8.250 nan 0.000 0.452 446 A N 1.264 124.136 122.820 0.088 0.000 1.865 446 A HA -0.242 4.079 4.320 0.001 0.000 0.217 446 A C 2.151 179.776 177.584 0.069 0.000 1.191 446 A CA 1.912 53.982 52.037 0.054 0.000 0.623 446 A CB -0.690 18.407 19.000 0.160 0.000 0.826 446 A HN 0.593 nan 8.150 nan 0.000 0.444 447 Q N -0.716 119.147 119.800 0.104 0.000 2.079 447 Q HA -0.096 4.245 4.340 0.001 0.000 0.200 447 Q C 2.147 178.189 176.000 0.069 0.000 0.974 447 Q CA 1.324 57.186 55.803 0.098 0.000 0.840 447 Q CB -0.326 28.473 28.738 0.102 0.000 0.898 447 Q HN 0.726 nan 8.270 nan 0.000 0.430 448 I N 0.843 121.448 120.570 0.058 0.000 2.068 448 I HA -0.384 3.786 4.170 0.001 0.000 0.238 448 I C 2.437 178.577 176.117 0.038 0.000 1.046 448 I CA 1.227 62.553 61.300 0.044 0.000 1.306 448 I CB -0.577 37.447 38.000 0.040 0.000 1.023 448 I HN 0.218 nan 8.210 nan 0.000 0.399 449 A N 1.244 124.082 122.820 0.030 0.000 1.849 449 A HA -0.180 4.141 4.320 0.001 0.000 0.216 449 A C 1.476 179.082 177.584 0.037 0.000 1.225 449 A CA 1.204 53.252 52.037 0.017 0.000 0.653 449 A CB -1.289 17.704 19.000 -0.013 0.000 0.844 449 A HN 0.313 nan 8.150 nan 0.000 0.453 453 N N -1.161 117.547 118.700 0.014 0.000 2.878 453 N HA -0.147 4.594 4.740 0.001 0.000 0.247 453 N C -0.640 174.874 175.510 0.007 0.000 1.021 453 N CA 0.735 53.791 53.050 0.010 0.000 0.873 453 N CB -0.793 37.699 38.487 0.009 0.000 1.128 453 N HN 0.507 nan 8.380 nan 0.000 0.571 454 Q N 0.900 120.704 119.800 0.007 0.000 2.290 454 Q HA 0.281 4.621 4.340 0.001 0.000 0.269 454 Q C -1.003 175.003 176.000 0.010 0.000 1.016 454 Q CA -0.605 55.199 55.803 0.003 0.000 0.754 454 Q CB 2.192 30.924 28.738 -0.009 0.000 1.247 454 Q HN 0.077 nan 8.270 nan 0.000 0.451 455 E N 4.110 124.318 120.200 0.013 0.000 2.463 455 E HA 0.030 4.381 4.350 0.001 0.000 0.248 455 E C -2.214 174.401 176.600 0.026 0.000 1.106 455 E CA -1.128 55.284 56.400 0.020 0.000 0.946 455 E CB 0.272 29.984 29.700 0.019 0.000 0.971 455 E HN 0.181 nan 8.360 nan 0.000 0.478 456 P HA -0.102 nan 4.420 nan 0.000 0.253 456 P C -0.870 176.464 177.300 0.057 0.000 1.159 456 P CA 0.487 63.618 63.100 0.050 0.000 0.779 456 P CB 0.320 32.056 31.700 0.060 0.000 0.745 457 D N 4.268 124.702 120.400 0.057 0.000 2.639 457 D HA 0.084 4.724 4.640 0.001 0.000 0.233 457 D C 0.053 176.414 176.300 0.103 0.000 1.161 457 D CA -0.321 53.715 54.000 0.061 0.000 1.003 457 D CB 0.102 40.923 40.800 0.034 0.000 1.034 457 D HN 0.056 nan 8.370 nan 0.000 0.514 458 V N -0.352 119.632 119.914 0.116 0.000 3.051 458 V HA 0.506 4.626 4.120 0.001 0.000 0.306 458 V C 0.994 177.184 176.094 0.161 0.000 1.083 458 V CA -0.585 61.809 62.300 0.157 0.000 1.104 458 V CB 0.833 32.732 31.823 0.127 0.000 1.027 458 V HN 0.554 nan 8.190 nan 0.000 0.483 459 A N 2.039 124.979 122.820 0.199 0.000 2.466 459 A HA -0.187 4.134 4.320 0.001 0.000 0.295 459 A C 0.334 178.010 177.584 0.153 0.000 1.465 459 A CA 1.308 53.417 52.037 0.121 0.000 0.744 459 A CB -2.377 16.647 19.000 0.041 0.000 1.098 459 A HN 2.126 nan 8.150 nan 0.000 0.402 460 N N -0.612 118.251 118.700 0.271 0.000 2.701 460 N HA 0.453 5.194 4.740 0.001 0.000 0.258 460 N C -2.075 173.465 175.510 0.050 0.000 1.262 460 N CA -1.646 51.489 53.050 0.142 0.000 0.780 460 N CB 1.132 39.663 38.487 0.074 0.000 1.380 460 N HN -0.052 nan 8.380 nan 0.000 0.548 461 P HA 0.016 nan 4.420 nan 0.000 0.229 461 P C -0.291 176.908 177.300 -0.168 0.000 1.150 461 P CA 1.049 64.060 63.100 -0.149 0.000 0.765 461 P CB 0.189 31.943 31.700 0.090 0.000 0.783 462 N N -2.189 116.458 118.700 -0.089 0.000 2.234 462 N HA 0.048 4.789 4.740 0.001 0.000 0.227 462 N C -0.177 175.291 175.510 -0.069 0.000 1.151 462 N CA -0.029 52.980 53.050 -0.067 0.000 0.865 462 N CB -0.057 38.415 38.487 -0.025 0.000 1.066 462 N HN -0.117 nan 8.380 nan 0.000 0.515 463 S N -0.301 115.340 115.700 -0.098 0.000 2.546 463 S HA 0.047 4.518 4.470 0.001 0.000 0.290 463 S C 1.179 175.735 174.600 -0.073 0.000 1.290 463 S CA -0.052 58.105 58.200 -0.072 0.000 1.069 463 S CB 0.381 63.534 63.200 -0.079 0.000 0.846 463 S HN 0.284 nan 8.310 nan 0.000 0.495 464 S N 4.555 120.225 115.700 -0.049 0.000 2.458 464 S HA 0.073 4.544 4.470 0.001 0.000 0.223 464 S C 1.656 176.225 174.600 -0.052 0.000 1.019 464 S CA 0.225 58.398 58.200 -0.046 0.000 0.937 464 S CB 0.044 63.226 63.200 -0.030 0.000 0.788 464 S HN 0.726 nan 8.310 nan 0.000 0.511 465 K N 1.565 121.935 120.400 -0.050 0.000 2.044 465 K HA 0.081 4.402 4.320 0.001 0.000 0.204 465 K C 0.810 177.357 176.600 -0.087 0.000 1.049 465 K CA 0.288 56.542 56.287 -0.055 0.000 0.945 465 K CB -0.136 32.342 32.500 -0.036 0.000 0.724 465 K HN 0.129 nan 8.250 nan 0.000 0.440 466 N N 1.996 120.644 118.700 -0.088 0.000 2.447 466 N HA -0.049 4.691 4.740 0.001 0.000 0.263 466 N C -0.181 175.237 175.510 -0.153 0.000 1.226 466 N CA 0.717 53.697 53.050 -0.117 0.000 0.906 466 N CB 0.716 39.153 38.487 -0.084 0.000 1.060 466 N HN 0.117 nan 8.380 nan 0.000 0.468 467 K N 2.117 122.367 120.400 -0.249 0.000 2.438 467 K HA 0.127 4.447 4.320 0.001 0.000 0.206 467 K C -0.323 176.244 176.600 -0.055 0.000 1.081 467 K CA -0.106 56.064 56.287 -0.194 0.000 1.053 467 K CB 0.672 33.044 32.500 -0.213 0.000 0.908 467 K HN 0.485 nan 8.250 nan 0.000 0.556 468 H N 0.754 119.826 119.070 0.003 0.000 2.490 468 H HA 0.255 4.812 4.556 0.001 0.000 0.285 468 H C 0.610 175.970 175.328 0.053 0.000 1.127 468 H CA -0.477 55.587 56.048 0.027 0.000 0.993 468 H CB 0.248 30.035 29.762 0.042 0.000 1.653 468 H HN 0.037 nan 8.280 nan 0.000 0.557 469 K N 0.664 121.122 120.400 0.097 0.000 1.977 469 K HA -0.256 4.064 4.320 0.001 0.000 0.218 469 K C 1.975 178.683 176.600 0.181 0.000 1.051 469 K CA 1.658 57.990 56.287 0.076 0.000 0.953 469 K CB 0.118 32.528 32.500 -0.151 0.000 0.727 469 K HN 0.247 nan 8.250 nan 0.000 0.445 470 Q N 1.082 120.933 119.800 0.083 0.000 2.045 470 Q HA -0.322 4.019 4.340 0.001 0.000 0.215 470 Q C 2.263 178.212 176.000 -0.086 0.000 1.026 470 Q CA 2.394 58.198 55.803 0.001 0.000 0.885 470 Q CB -0.161 28.535 28.738 -0.071 0.000 0.984 470 Q HN 0.232 nan 8.270 nan 0.000 0.414 471 R N -0.170 120.299 120.500 -0.052 0.000 2.080 471 R HA -0.163 4.178 4.340 0.001 0.000 0.236 471 R C 2.380 178.806 176.300 0.210 0.000 1.137 471 R CA 1.945 58.063 56.100 0.031 0.000 0.943 471 R CB -0.429 29.972 30.300 0.168 0.000 0.846 471 R HN 0.475 nan 8.270 nan 0.000 0.431 472 I N 0.299 121.016 120.570 0.246 0.000 2.208 472 I HA -0.232 3.939 4.170 0.001 0.000 0.245 472 I C 2.448 178.715 176.117 0.249 0.000 1.097 472 I CA 1.478 62.963 61.300 0.309 0.000 1.363 472 I CB -0.750 37.464 38.000 0.357 0.000 1.051 472 I HN 0.466 nan 8.210 nan 0.000 0.413 473 G N 0.933 109.914 108.800 0.302 0.000 2.511 473 G HA2 -0.335 3.626 3.960 0.001 0.000 0.216 473 G HA3 -0.335 3.626 3.960 0.001 0.000 0.216 473 G C 1.561 176.500 174.900 0.066 0.000 1.218 473 G CA 0.799 46.032 45.100 0.223 0.000 0.788 473 G HN 0.334 nan 8.290 nan 0.000 0.560 474 F N 0.998 120.925 119.950 -0.038 0.000 2.087 474 F HA -0.183 4.344 4.527 0.001 0.000 0.299 474 F C 2.178 177.997 175.800 0.031 0.000 1.100 474 F CA 1.917 59.892 58.000 -0.043 0.000 1.226 474 F CB -0.541 38.359 39.000 -0.166 0.000 0.983 474 F HN 0.139 nan 8.300 nan 0.000 0.479 475 F N 1.033 120.929 119.950 -0.090 0.000 2.065 475 F HA -0.264 4.264 4.527 0.001 0.000 0.298 475 F C 2.149 177.759 175.800 -0.315 0.000 1.112 475 F CA 1.858 59.757 58.000 -0.169 0.000 1.212 475 F CB -0.859 38.123 39.000 -0.031 0.000 0.975 475 F HN -0.029 nan 8.300 nan 0.000 0.476 476 I N 0.363 120.519 120.570 -0.691 0.000 2.252 476 I HA -0.184 3.987 4.170 0.001 0.000 0.245 476 I C 1.707 177.411 176.117 -0.688 0.000 1.102 476 I CA 0.615 61.351 61.300 -0.940 0.000 1.385 476 I CB -1.470 35.736 38.000 -1.324 0.000 1.064 476 I HN 0.071 nan 8.210 nan 0.000 0.414 480 L N 2.110 123.178 121.223 -0.258 0.000 2.042 480 L HA -0.148 4.193 4.340 0.001 0.000 0.210 480 L C 2.780 179.574 176.870 -0.126 0.000 1.076 480 L CA 2.349 57.085 54.840 -0.174 0.000 0.749 480 L CB -0.966 41.002 42.059 -0.152 0.000 0.893 480 L HN 0.411 nan 8.230 nan 0.000 0.432 481 T N -1.915 112.560 114.554 -0.132 0.000 2.849 481 T HA -0.225 4.125 4.350 0.001 0.000 0.270 481 T C 1.826 176.480 174.700 -0.076 0.000 1.066 481 T CA 1.053 63.099 62.100 -0.089 0.000 1.130 481 T CB -0.315 68.500 68.868 -0.089 0.000 0.864 481 T HN 0.235 nan 8.240 nan 0.000 0.481 482 L N 1.038 122.203 121.223 -0.097 0.000 2.127 482 L HA 0.123 4.464 4.340 0.001 0.000 0.203 482 L C 2.544 179.372 176.870 -0.071 0.000 1.080 482 L CA 1.176 55.970 54.840 -0.077 0.000 0.768 482 L CB -0.990 41.017 42.059 -0.087 0.000 0.924 482 L HN 0.236 nan 8.230 nan 0.000 0.444 483 V N 0.785 120.646 119.914 -0.090 0.000 2.255 483 V HA -0.316 3.804 4.120 0.001 0.000 0.247 483 V C 2.634 178.690 176.094 -0.063 0.000 1.051 483 V CA 2.131 64.381 62.300 -0.083 0.000 1.018 483 V CB -0.661 31.101 31.823 -0.102 0.000 0.641 483 V HN 0.516 nan 8.190 nan 0.000 0.445 484 E N -0.232 119.935 120.200 -0.056 0.000 2.049 484 E HA -0.309 4.041 4.350 0.001 0.000 0.198 484 E C 2.304 178.894 176.600 -0.016 0.000 1.007 484 E CA 1.962 58.344 56.400 -0.030 0.000 0.809 484 E CB -0.143 29.545 29.700 -0.019 0.000 0.749 484 E HN 0.691 nan 8.360 nan 0.000 0.450 485 Q N -0.149 119.637 119.800 -0.023 0.000 1.998 485 Q HA -0.237 4.104 4.340 0.001 0.000 0.209 485 Q C 2.326 178.319 176.000 -0.012 0.000 1.002 485 Q CA 2.055 57.849 55.803 -0.015 0.000 0.858 485 Q CB -0.324 28.401 28.738 -0.022 0.000 0.932 485 Q HN 0.334 nan 8.270 nan 0.000 0.416 486 I N 0.033 120.590 120.570 -0.021 0.000 2.399 486 I HA -0.251 3.920 4.170 0.001 0.000 0.254 486 I C 2.144 178.255 176.117 -0.010 0.000 1.146 486 I CA 0.944 62.234 61.300 -0.017 0.000 1.412 486 I CB -0.509 37.477 38.000 -0.024 0.000 1.076 486 I HN 0.032 nan 8.210 nan 0.000 0.432 487 V N 0.156 120.062 119.914 -0.013 0.000 2.255 487 V HA -0.231 3.890 4.120 0.001 0.000 0.243 487 V C 2.358 178.467 176.094 0.025 0.000 1.038 487 V CA 1.770 64.065 62.300 -0.007 0.000 1.008 487 V CB -0.692 31.110 31.823 -0.034 0.000 0.645 487 V HN 0.424 nan 8.190 nan 0.000 0.449 488 E N 0.419 120.643 120.200 0.040 0.000 2.171 488 E HA -0.259 4.092 4.350 0.001 0.000 0.197 488 E C 1.922 178.540 176.600 0.030 0.000 0.997 488 E CA 1.190 57.622 56.400 0.053 0.000 0.810 488 E CB -0.224 29.501 29.700 0.043 0.000 0.738 488 E HN 0.599 nan 8.360 nan 0.000 0.467 489 K N 0.833 121.242 120.400 0.016 0.000 2.551 489 K HA 0.005 4.325 4.320 0.001 0.000 0.192 489 K C 0.633 177.239 176.600 0.009 0.000 1.027 489 K CA 0.246 56.538 56.287 0.008 0.000 1.059 489 K CB 0.153 32.654 32.500 0.001 0.000 0.831 489 K HN 0.052 nan 8.250 nan 0.000 0.508 490 S N -1.507 114.203 115.700 0.017 0.000 2.752 490 S HA 0.230 4.701 4.470 0.001 0.000 0.284 490 S C 0.544 175.161 174.600 0.028 0.000 1.189 490 S CA -0.996 57.214 58.200 0.017 0.000 0.835 490 S CB 1.293 64.501 63.200 0.014 0.000 1.192 490 S HN -0.144 nan 8.310 nan 0.000 0.506 491 E N 0.567 120.784 120.200 0.029 0.000 2.130 491 E HA -0.102 4.249 4.350 0.001 0.000 0.196 491 E C 1.868 178.496 176.600 0.048 0.000 0.998 491 E CA 1.281 57.704 56.400 0.038 0.000 0.806 491 E CB -0.689 29.036 29.700 0.042 0.000 0.738 491 E HN 0.603 nan 8.360 nan 0.000 0.459 492 L N 1.349 122.599 121.223 0.044 0.000 2.197 492 L HA -0.256 4.085 4.340 0.001 0.000 0.215 492 L C 2.402 179.279 176.870 0.011 0.000 1.095 492 L CA 1.018 55.874 54.840 0.027 0.000 0.764 492 L CB -0.612 41.450 42.059 0.006 0.000 0.897 492 L HN 0.166 nan 8.230 nan 0.000 0.436 493 N N 0.468 119.195 118.700 0.045 0.000 2.106 493 N HA -0.071 4.669 4.740 0.001 0.000 0.188 493 N C 1.037 176.635 175.510 0.147 0.000 1.029 493 N CA 0.616 53.735 53.050 0.116 0.000 0.848 493 N CB 0.048 38.617 38.487 0.136 0.000 1.007 493 N HN 0.172 nan 8.380 nan 0.000 0.423 497 A N 1.394 124.318 122.820 0.174 0.000 1.565 497 A HA 0.141 4.462 4.320 0.001 0.000 0.326 497 A C 1.393 179.095 177.584 0.196 0.000 1.013 497 A CA 2.005 54.219 52.037 0.295 0.000 1.468 497 A CB -1.251 17.829 19.000 0.134 0.000 0.718 497 A HN 1.584 nan 8.150 nan 0.000 0.175 498 G N 1.766 110.707 108.800 0.235 0.000 4.269 498 G HA2 -0.325 3.636 3.960 0.001 0.000 0.290 498 G HA3 -0.325 3.636 3.960 0.001 0.000 0.290 498 G C 1.067 176.020 174.900 0.089 0.000 1.570 498 G CA 1.113 46.276 45.100 0.105 0.000 1.072 498 G HN 1.933 nan 8.290 nan 0.000 0.681 499 E N 1.778 122.002 120.200 0.040 0.000 2.038 499 E HA 0.081 4.431 4.350 0.001 0.000 0.195 499 E C 2.640 179.252 176.600 0.019 0.000 1.000 499 E CA 2.893 59.301 56.400 0.013 0.000 0.803 499 E CB -1.239 28.445 29.700 -0.028 0.000 0.750 499 E HN 0.970 nan 8.360 nan 0.000 0.448 500 G N 0.344 109.144 108.800 0.000 0.000 2.514 500 G HA2 -0.320 3.640 3.960 0.001 0.000 0.217 500 G HA3 -0.320 3.640 3.960 0.001 0.000 0.217 500 G C 1.560 176.402 174.900 -0.097 0.000 1.198 500 G CA 1.250 46.309 45.100 -0.068 0.000 0.780 500 G HN 0.390 nan 8.290 nan 0.000 0.565 501 H N 0.592 119.660 119.070 -0.004 0.000 2.387 501 H HA -0.053 4.504 4.556 0.001 0.000 0.299 501 H C 3.030 178.355 175.328 -0.005 0.000 1.099 501 H CA 1.504 57.548 56.048 -0.007 0.000 1.315 501 H CB -0.177 29.581 29.762 -0.007 0.000 1.380 501 H HN 0.315 nan 8.280 nan 0.000 0.513 502 S N 0.344 116.107 115.700 0.105 0.000 2.382 502 S HA -0.092 4.379 4.470 0.001 0.000 0.228 502 S C 2.192 176.814 174.600 0.036 0.000 1.027 502 S CA 0.811 59.047 58.200 0.059 0.000 0.991 502 S CB 0.061 63.287 63.200 0.043 0.000 0.823 502 S HN 0.441 nan 8.310 nan 0.000 0.469 503 R N 0.473 120.988 120.500 0.025 0.000 2.062 503 R HA 0.052 4.393 4.340 0.001 0.000 0.229 503 R C 2.266 178.567 176.300 0.003 0.000 1.128 503 R CA 0.761 56.873 56.100 0.020 0.000 0.960 503 R CB -0.634 29.683 30.300 0.027 0.000 0.855 503 R HN 0.239 nan 8.270 nan 0.000 0.432 504 L N 1.990 123.203 121.223 -0.016 0.000 1.997 504 L HA -0.235 4.106 4.340 0.001 0.000 0.216 504 L C 2.006 178.876 176.870 -0.002 0.000 1.074 504 L CA 1.965 56.789 54.840 -0.026 0.000 0.763 504 L CB -0.925 41.103 42.059 -0.053 0.000 0.890 504 L HN 0.169 nan 8.230 nan 0.000 0.434 505 E N -0.293 119.919 120.200 0.020 0.000 2.049 505 E HA -0.284 4.066 4.350 0.001 0.000 0.198 505 E C 2.326 178.929 176.600 0.006 0.000 1.007 505 E CA 1.459 57.872 56.400 0.021 0.000 0.809 505 E CB -0.363 29.357 29.700 0.034 0.000 0.749 505 E HN 0.441 nan 8.360 nan 0.000 0.450 506 R N 0.336 120.839 120.500 0.004 0.000 2.139 506 R HA -0.167 4.174 4.340 0.001 0.000 0.243 506 R C 2.376 178.655 176.300 -0.035 0.000 1.145 506 R CA 0.929 57.025 56.100 -0.007 0.000 0.976 506 R CB -0.276 30.026 30.300 0.005 0.000 0.866 506 R HN 0.094 nan 8.270 nan 0.000 0.449 507 L N 1.041 122.245 121.223 -0.032 0.000 2.027 507 L HA -0.114 4.226 4.340 0.001 0.000 0.206 507 L C 1.609 178.455 176.870 -0.040 0.000 1.074 507 L CA 1.855 56.664 54.840 -0.053 0.000 0.745 507 L CB -0.362 41.688 42.059 -0.016 0.000 0.898 507 L HN 0.053 nan 8.230 nan 0.000 0.433 508 K N -0.402 119.999 120.400 0.002 0.000 2.032 508 K HA -0.198 4.123 4.320 0.001 0.000 0.209 508 K C 2.078 178.680 176.600 0.004 0.000 1.048 508 K CA 1.713 58.017 56.287 0.028 0.000 0.927 508 K CB -0.246 32.263 32.500 0.015 0.000 0.712 508 K HN 0.303 nan 8.250 nan 0.000 0.441 509 K N 0.655 121.044 120.400 -0.017 0.000 2.113 509 K HA -0.163 4.158 4.320 0.001 0.000 0.208 509 K C 2.230 178.798 176.600 -0.054 0.000 1.047 509 K CA 1.169 57.445 56.287 -0.018 0.000 0.928 509 K CB -0.107 32.384 32.500 -0.014 0.000 0.716 509 K HN 0.148 nan 8.250 nan 0.000 0.446 510 R N -0.081 120.325 120.500 -0.158 0.000 2.080 510 R HA -0.151 4.190 4.340 0.001 0.000 0.236 510 R C 2.162 178.236 176.300 -0.377 0.000 1.137 510 R CA 1.765 57.679 56.100 -0.310 0.000 0.943 510 R CB -0.374 29.580 30.300 -0.577 0.000 0.846 510 R HN 0.355 nan 8.270 nan 0.000 0.431 511 Y N 0.008 120.216 120.300 -0.154 0.000 2.516 511 Y HA -0.014 4.536 4.550 0.001 0.000 0.291 511 Y C 2.110 178.016 175.900 0.010 0.000 1.131 511 Y CA 0.357 58.323 58.100 -0.222 0.000 1.281 511 Y CB 0.053 38.343 38.460 -0.283 0.000 1.013 511 Y HN 0.043 nan 8.280 nan 0.000 0.554 512 I N -1.668 118.977 120.570 0.124 0.000 2.480 512 I HA -0.221 3.950 4.170 0.001 0.000 0.251 512 I C 2.496 178.699 176.117 0.144 0.000 1.124 512 I CA 0.821 62.196 61.300 0.124 0.000 1.444 512 I CB -0.327 37.715 38.000 0.070 0.000 1.098 512 I HN 0.047 nan 8.210 nan 0.000 0.428 513 S N -0.062 115.715 115.700 0.129 0.000 2.440 513 S HA -0.143 4.328 4.470 0.001 0.000 0.238 513 S C 1.015 175.744 174.600 0.215 0.000 1.010 513 S CA 0.852 59.132 58.200 0.133 0.000 0.972 513 S CB -0.244 63.017 63.200 0.101 0.000 0.774 513 S HN 0.188 nan 8.310 nan 0.000 0.501 517 S N 1.320 117.102 115.700 0.137 0.000 2.377 517 S HA -0.326 4.145 4.470 0.001 0.000 0.224 517 S C 1.497 176.136 174.600 0.064 0.000 1.042 517 S CA 2.145 60.378 58.200 0.056 0.000 1.086 517 S CB -0.634 62.537 63.200 -0.049 0.000 0.995 517 S HN 0.586 nan 8.310 nan 0.000 0.428 518 D N 0.763 121.178 120.400 0.024 0.000 2.254 518 D HA -0.156 4.485 4.640 0.001 0.000 0.201 518 D C 1.353 177.566 176.300 -0.144 0.000 0.998 518 D CA 1.451 55.390 54.000 -0.101 0.000 0.885 518 D CB -0.347 40.329 40.800 -0.206 0.000 0.915 518 D HN 0.700 nan 8.370 nan 0.000 0.460 519 W N 0.804 122.076 121.300 -0.045 0.000 2.523 519 W HA 0.122 4.783 4.660 0.001 0.000 0.278 519 W C 2.629 179.138 176.519 -0.017 0.000 1.236 519 W CA -0.145 57.174 57.345 -0.043 0.000 1.306 519 W CB -0.225 29.217 29.460 -0.029 0.000 1.101 519 W HN -0.140 nan 8.180 nan 0.000 0.577 520 R N 0.558 121.185 120.500 0.213 0.000 2.096 520 R HA -0.148 4.193 4.340 0.001 0.000 0.235 520 R C 1.599 177.950 176.300 0.085 0.000 1.127 520 R CA 1.705 57.884 56.100 0.132 0.000 0.968 520 R CB -0.625 29.726 30.300 0.085 0.000 0.861 520 R HN 0.182 nan 8.270 nan 0.000 0.440 521 D N 1.102 121.527 120.400 0.042 0.000 2.137 521 D HA -0.236 4.404 4.640 0.001 0.000 0.193 521 D C 1.946 178.251 176.300 0.009 0.000 0.993 521 D CA 1.106 55.109 54.000 0.005 0.000 0.846 521 D CB -0.547 40.231 40.800 -0.037 0.000 0.990 521 D HN 0.106 nan 8.370 nan 0.000 0.448 522 L N 0.762 121.962 121.223 -0.038 0.000 2.058 522 L HA -0.320 4.020 4.340 0.001 0.000 0.226 522 L C 2.332 179.227 176.870 0.042 0.000 1.089 522 L CA 1.996 56.789 54.840 -0.079 0.000 0.799 522 L CB -0.522 41.417 42.059 -0.201 0.000 0.900 522 L HN 0.134 nan 8.230 nan 0.000 0.442 523 T N -0.390 114.248 114.554 0.140 0.000 2.559 523 T HA -0.149 4.202 4.350 0.001 0.000 0.251 523 T C 1.811 176.604 174.700 0.155 0.000 1.122 523 T CA 1.334 63.595 62.100 0.269 0.000 1.231 523 T CB -0.628 68.388 68.868 0.247 0.000 0.881 523 T HN 0.562 nan 8.240 nan 0.000 0.397 524 A N 2.466 125.343 122.820 0.095 0.000 1.958 524 A HA -0.281 4.040 4.320 0.001 0.000 0.221 524 A C 2.205 179.804 177.584 0.025 0.000 1.178 524 A CA 2.134 54.199 52.037 0.046 0.000 0.642 524 A CB -1.186 17.837 19.000 0.038 0.000 0.816 524 A HN 0.582 nan 8.150 nan 0.000 0.453 525 N N 0.014 118.735 118.700 0.035 0.000 2.036 525 N HA -0.166 4.574 4.740 0.001 0.000 0.199 525 N C 0.805 176.314 175.510 -0.000 0.000 1.036 525 N CA 1.637 54.698 53.050 0.019 0.000 0.870 525 N CB -0.292 38.208 38.487 0.021 0.000 1.055 525 N HN 0.526 nan 8.380 nan 0.000 0.436 545 I N 2.420 123.025 120.570 0.058 0.000 2.260 545 I HA -0.092 4.079 4.170 0.001 0.000 0.237 545 I C 2.144 178.446 176.117 0.309 0.000 1.075 545 I CA 2.002 63.394 61.300 0.152 0.000 1.376 545 I CB -1.205 36.792 38.000 -0.005 0.000 1.107 545 I HN 0.384 nan 8.210 nan 0.000 0.420 546 K N 1.696 122.293 120.400 0.328 0.000 2.184 546 K HA -0.277 4.044 4.320 0.001 0.000 0.210 546 K C 1.497 178.250 176.600 0.256 0.000 1.048 546 K CA 2.164 58.637 56.287 0.309 0.000 0.931 546 K CB -0.930 31.368 32.500 -0.336 0.000 0.718 546 K HN 0.433 nan 8.250 nan 0.000 0.465 547 E N 0.970 121.262 120.200 0.153 0.000 2.279 547 E HA -0.223 4.127 4.350 0.001 0.000 0.205 547 E C 1.855 178.557 176.600 0.170 0.000 1.028 547 E CA 1.653 58.132 56.400 0.133 0.000 0.830 547 E CB -0.088 29.670 29.700 0.097 0.000 0.736 547 E HN 0.503 nan 8.360 nan 0.000 0.478 548 K N -0.277 120.253 120.400 0.216 0.000 2.172 548 K HA 0.058 4.378 4.320 0.001 0.000 0.203 548 K C 1.922 178.662 176.600 0.233 0.000 1.040 548 K CA 0.175 56.551 56.287 0.148 0.000 0.974 548 K CB -0.233 32.272 32.500 0.007 0.000 0.857 548 K HN -0.010 nan 8.250 nan 0.000 0.464 549 F N 2.386 122.520 119.950 0.307 0.000 2.079 549 F HA -0.390 4.137 4.527 0.001 0.000 0.296 549 F C 2.720 178.745 175.800 0.375 0.000 1.084 549 F CA 1.698 59.931 58.000 0.388 0.000 1.236 549 F CB -0.200 39.070 39.000 0.450 0.000 0.984 549 F HN 0.112 nan 8.300 nan 0.000 0.488 550 R N 1.080 121.879 120.500 0.498 0.000 2.097 550 R HA -0.239 4.102 4.340 0.001 0.000 0.236 550 R C 2.084 178.567 176.300 0.305 0.000 1.135 550 R CA 2.306 58.621 56.100 0.360 0.000 0.934 550 R CB -0.437 30.021 30.300 0.262 0.000 0.846 550 R HN 0.267 nan 8.270 nan 0.000 0.431 551 K N -0.608 119.940 120.400 0.246 0.000 2.152 551 K HA -0.183 4.137 4.320 0.001 0.000 0.206 551 K C 2.013 178.734 176.600 0.202 0.000 1.048 551 K CA 1.621 58.014 56.287 0.176 0.000 0.933 551 K CB -0.302 32.272 32.500 0.123 0.000 0.721 551 K HN 0.191 nan 8.250 nan 0.000 0.447 552 F N 2.544 122.579 119.950 0.141 0.000 2.074 552 F HA -0.161 4.367 4.527 0.001 0.000 0.293 552 F C 1.969 177.919 175.800 0.250 0.000 1.116 552 F CA 1.320 59.418 58.000 0.163 0.000 1.212 552 F CB -0.153 38.935 39.000 0.147 0.000 0.998 552 F HN 0.006 nan 8.300 nan 0.000 0.471 553 N N 0.680 119.716 118.700 0.559 0.000 2.000 553 N HA -0.275 4.466 4.740 0.001 0.000 0.198 553 N C 1.936 177.646 175.510 0.333 0.000 1.057 553 N CA 1.911 55.260 53.050 0.498 0.000 0.858 553 N CB -1.036 37.811 38.487 0.601 0.000 1.057 553 N HN 0.473 nan 8.380 nan 0.000 0.423 554 E N 0.395 120.756 120.200 0.268 0.000 2.033 554 E HA -0.178 4.173 4.350 0.001 0.000 0.199 554 E C 2.030 178.671 176.600 0.067 0.000 1.011 554 E CA 1.642 58.142 56.400 0.167 0.000 0.815 554 E CB -0.471 29.306 29.700 0.129 0.000 0.755 554 E HN 0.411 nan 8.360 nan 0.000 0.451 555 G N 0.123 108.936 108.800 0.021 0.000 2.475 555 G HA2 -0.310 3.651 3.960 0.001 0.000 0.220 555 G HA3 -0.310 3.651 3.960 0.001 0.000 0.220 555 G C 1.322 176.096 174.900 -0.210 0.000 1.125 555 G CA 0.853 45.892 45.100 -0.102 0.000 0.755 555 G HN 0.366 nan 8.290 nan 0.000 0.565 556 F N 1.674 121.439 119.950 -0.309 0.000 2.031 556 F HA -0.040 4.488 4.527 0.001 0.000 0.295 556 F C 2.768 178.408 175.800 -0.267 0.000 1.133 556 F CA 2.125 59.897 58.000 -0.380 0.000 1.188 556 F CB -0.449 38.298 39.000 -0.422 0.000 0.974 556 F HN 0.296 nan 8.300 nan 0.000 0.473 557 E N -0.282 119.877 120.200 -0.069 0.000 2.147 557 E HA -0.316 4.035 4.350 0.001 0.000 0.199 557 E C 2.015 178.497 176.600 -0.197 0.000 1.005 557 E CA 1.462 57.821 56.400 -0.069 0.000 0.810 557 E CB -0.539 29.229 29.700 0.113 0.000 0.736 557 E HN 0.521 nan 8.360 nan 0.000 0.460 558 D N 1.021 121.298 120.400 -0.204 0.000 2.087 558 D HA -0.165 4.476 4.640 0.001 0.000 0.192 558 D C 2.065 178.163 176.300 -0.336 0.000 0.993 558 D CA 1.045 54.913 54.000 -0.219 0.000 0.828 558 D CB -0.057 40.630 40.800 -0.189 0.000 0.968 558 D HN 0.156 nan 8.370 nan 0.000 0.448 559 L N 0.373 121.252 121.223 -0.573 0.000 2.131 559 L HA -0.150 4.191 4.340 0.001 0.000 0.210 559 L C 2.658 179.194 176.870 -0.557 0.000 1.092 559 L CA 0.358 54.716 54.840 -0.804 0.000 0.759 559 L CB -0.201 40.837 42.059 -1.702 0.000 0.903 559 L HN -0.002 nan 8.230 nan 0.000 0.435 560 V N -0.225 119.383 119.914 -0.510 0.000 2.261 560 V HA -0.284 3.837 4.120 0.001 0.000 0.246 560 V C 2.663 178.689 176.094 -0.115 0.000 1.047 560 V CA 2.009 64.171 62.300 -0.230 0.000 1.015 560 V CB -0.827 30.824 31.823 -0.287 0.000 0.642 560 V HN 0.625 nan 8.190 nan 0.000 0.446 561 S N 0.537 116.156 115.700 -0.135 0.000 2.353 561 S HA -0.319 4.152 4.470 0.001 0.000 0.222 561 S C 1.964 176.517 174.600 -0.078 0.000 1.035 561 S CA 1.867 60.016 58.200 -0.086 0.000 1.025 561 S CB -0.609 62.542 63.200 -0.082 0.000 0.902 561 S HN 0.589 nan 8.310 nan 0.000 0.440 562 K N 0.803 121.148 120.400 -0.092 0.000 2.020 562 K HA -0.101 4.220 4.320 0.001 0.000 0.212 562 K C 2.468 179.119 176.600 0.085 0.000 1.050 562 K CA 1.942 58.213 56.287 -0.027 0.000 0.929 562 K CB -0.880 31.591 32.500 -0.049 0.000 0.714 562 K HN 0.462 nan 8.250 nan 0.000 0.443 563 T N 1.403 116.014 114.554 0.094 0.000 2.881 563 T HA -0.112 4.239 4.350 0.001 0.000 0.270 563 T C 1.458 176.246 174.700 0.147 0.000 1.068 563 T CA 1.204 63.432 62.100 0.214 0.000 1.131 563 T CB -0.057 68.978 68.868 0.279 0.000 0.871 563 T HN 0.249 nan 8.240 nan 0.000 0.479 564 K N 0.919 121.341 120.400 0.038 0.000 2.442 564 K HA -0.008 4.313 4.320 0.001 0.000 0.198 564 K C 2.247 178.782 176.600 -0.108 0.000 1.042 564 K CA 0.691 56.968 56.287 -0.017 0.000 0.958 564 K CB -0.023 32.459 32.500 -0.030 0.000 0.766 564 K HN 0.467 nan 8.250 nan 0.000 0.474 565 Q N -0.439 119.229 119.800 -0.220 0.000 2.432 565 Q HA -0.035 4.305 4.340 0.001 0.000 0.205 565 Q C -0.517 175.015 176.000 -0.781 0.000 0.945 565 Q CA 0.629 56.120 55.803 -0.520 0.000 0.924 565 Q CB 0.298 28.588 28.738 -0.747 0.000 1.016 565 Q HN 0.290 nan 8.270 nan 0.000 0.503 566 Y N 1.221 121.314 120.300 -0.345 0.000 2.345 566 Y HA 0.264 4.815 4.550 0.001 0.000 0.331 566 Y C -0.510 175.212 175.900 -0.297 0.000 0.959 566 Y CA -1.507 56.185 58.100 -0.680 0.000 1.204 566 Y CB 0.721 38.557 38.460 -1.041 0.000 1.135 566 Y HN -0.157 nan 8.280 nan 0.000 0.477 567 K N 2.489 122.872 120.400 -0.028 0.000 2.159 567 K HA 0.735 5.056 4.320 0.001 0.000 0.266 567 K C -1.527 175.292 176.600 0.365 0.000 0.975 567 K CA -0.660 55.713 56.287 0.143 0.000 0.865 567 K CB 1.257 33.806 32.500 0.082 0.000 1.087 567 K HN 0.416 nan 8.250 nan 0.000 0.446 568 L N 1.594 122.992 121.223 0.292 0.000 2.329 568 L HA 0.369 4.709 4.340 0.001 0.000 0.279 568 L C 0.385 177.334 176.870 0.132 0.000 1.014 568 L CA -0.327 54.671 54.840 0.263 0.000 0.814 568 L CB 2.029 44.217 42.059 0.215 0.000 1.257 568 L HN 0.783 nan 8.230 nan 0.000 0.424 569 S N 0.155 115.907 115.700 0.086 0.000 2.727 569 S HA -0.003 4.468 4.470 0.001 0.000 0.226 569 S C 0.101 174.718 174.600 0.029 0.000 0.963 569 S CA 0.321 58.550 58.200 0.047 0.000 0.950 569 S CB -0.679 62.535 63.200 0.023 0.000 0.779 569 S HN 0.662 nan 8.310 nan 0.000 0.532 570 D N -0.009 120.412 120.400 0.035 0.000 2.896 570 D HA 0.280 4.920 4.640 0.001 0.000 0.241 570 D C -2.405 173.913 176.300 0.030 0.000 1.188 570 D CA -2.072 51.941 54.000 0.023 0.000 0.879 570 D CB 2.282 43.087 40.800 0.009 0.000 1.553 570 D HN -0.191 nan 8.370 nan 0.000 0.515 571 P HA -0.080 nan 4.420 nan 0.000 0.214 571 P C 1.419 178.731 177.300 0.019 0.000 1.162 571 P CA 0.991 64.104 63.100 0.021 0.000 0.879 571 P CB 0.348 32.057 31.700 0.015 0.000 0.786 572 S N -0.036 115.673 115.700 0.014 0.000 2.378 572 S HA -0.218 4.252 4.470 0.001 0.000 0.229 572 S C 1.906 176.516 174.600 0.016 0.000 1.052 572 S CA 1.462 59.669 58.200 0.012 0.000 1.084 572 S CB -1.505 61.701 63.200 0.009 0.000 0.950 572 S HN 0.091 nan 8.310 nan 0.000 0.440 573 L N 1.072 122.308 121.223 0.022 0.000 2.012 573 L HA -0.210 4.131 4.340 0.001 0.000 0.210 573 L C 2.560 179.452 176.870 0.037 0.000 1.073 573 L CA 1.524 56.383 54.840 0.031 0.000 0.748 573 L CB -0.630 41.453 42.059 0.040 0.000 0.891 573 L HN 0.301 nan 8.230 nan 0.000 0.431 574 K N -0.170 120.255 120.400 0.042 0.000 2.001 574 K HA -0.189 4.131 4.320 0.001 0.000 0.214 574 K C 2.015 178.625 176.600 0.017 0.000 1.050 574 K CA 1.765 58.076 56.287 0.040 0.000 0.934 574 K CB -0.487 32.038 32.500 0.041 0.000 0.718 574 K HN 0.093 nan 8.250 nan 0.000 0.443 575 V N 1.434 121.354 119.914 0.011 0.000 2.287 575 V HA -0.289 3.831 4.120 0.001 0.000 0.248 575 V C 2.271 178.359 176.094 -0.009 0.000 1.053 575 V CA 2.335 64.635 62.300 -0.000 0.000 1.027 575 V CB -0.930 30.894 31.823 0.001 0.000 0.646 575 V HN 0.440 nan 8.190 nan 0.000 0.447 576 T N 0.289 114.841 114.554 -0.003 0.000 2.635 576 T HA -0.243 4.107 4.350 0.001 0.000 0.267 576 T C 1.917 176.605 174.700 -0.021 0.000 1.040 576 T CA 1.976 64.071 62.100 -0.007 0.000 1.156 576 T CB -0.386 68.484 68.868 0.004 0.000 0.863 576 T HN 0.313 nan 8.240 nan 0.000 0.430 577 L N 0.396 121.611 121.223 -0.014 0.000 2.046 577 L HA -0.137 4.203 4.340 0.001 0.000 0.208 577 L C 2.561 179.375 176.870 -0.094 0.000 1.077 577 L CA 1.601 56.419 54.840 -0.037 0.000 0.747 577 L CB -0.299 41.762 42.059 0.004 0.000 0.896 577 L HN 0.295 nan 8.230 nan 0.000 0.432 578 K N -0.144 120.215 120.400 -0.068 0.000 1.977 578 K HA -0.228 4.093 4.320 0.001 0.000 0.218 578 K C 2.171 178.700 176.600 -0.118 0.000 1.051 578 K CA 2.276 58.508 56.287 -0.091 0.000 0.953 578 K CB -0.438 32.034 32.500 -0.047 0.000 0.727 578 K HN 0.460 nan 8.250 nan 0.000 0.445 579 S N 1.404 117.058 115.700 -0.077 0.000 2.353 579 S HA -0.207 4.263 4.470 0.001 0.000 0.222 579 S C 1.915 176.462 174.600 -0.089 0.000 1.035 579 S CA 1.071 59.230 58.200 -0.068 0.000 1.025 579 S CB -0.507 62.669 63.200 -0.039 0.000 0.902 579 S HN 0.183 nan 8.310 nan 0.000 0.440 580 E N 1.418 121.568 120.200 -0.084 0.000 2.136 580 E HA -0.176 4.175 4.350 0.001 0.000 0.208 580 E C 2.006 178.522 176.600 -0.140 0.000 1.035 580 E CA 1.599 57.949 56.400 -0.084 0.000 0.838 580 E CB -0.529 29.132 29.700 -0.065 0.000 0.748 580 E HN 0.663 nan 8.360 nan 0.000 0.459 581 I N 0.272 120.687 120.570 -0.259 0.000 2.133 581 I HA -0.271 3.900 4.170 0.001 0.000 0.238 581 I C 2.559 178.512 176.117 -0.274 0.000 1.074 581 I CA 0.829 61.858 61.300 -0.453 0.000 1.342 581 I CB -0.389 37.089 38.000 -0.869 0.000 1.053 581 I HN 0.056 nan 8.210 nan 0.000 0.404 582 I N 1.092 121.534 120.570 -0.213 0.000 2.113 582 I HA -0.335 3.835 4.170 0.001 0.000 0.242 582 I C 2.267 178.357 176.117 -0.044 0.000 1.064 582 I CA 1.984 63.224 61.300 -0.101 0.000 1.320 582 I CB -0.554 37.401 38.000 -0.074 0.000 1.028 582 I HN 0.321 nan 8.210 nan 0.000 0.406 583 S N 0.233 115.906 115.700 -0.044 0.000 2.981 583 S HA 0.021 4.492 4.470 0.001 0.000 0.235 583 S C 0.995 175.596 174.600 0.003 0.000 0.983 583 S CA 0.367 58.559 58.200 -0.014 0.000 1.051 583 S CB -0.014 63.176 63.200 -0.016 0.000 0.814 583 S HN 0.469 nan 8.310 nan 0.000 0.518 584 L N -0.808 120.422 121.223 0.011 0.000 2.718 584 L HA 0.484 4.825 4.340 0.001 0.000 0.247 584 L C 0.246 177.180 176.870 0.107 0.000 1.028 584 L CA 0.390 55.258 54.840 0.047 0.000 1.031 584 L CB -0.022 42.056 42.059 0.031 0.000 1.910 584 L HN 0.142 nan 8.230 nan 0.000 0.526 590 E N 1.312 121.634 120.200 0.203 0.000 2.086 590 E HA -0.265 4.086 4.350 0.001 0.000 0.200 590 E C 1.771 178.417 176.600 0.076 0.000 1.012 590 E CA 1.912 58.408 56.400 0.160 0.000 0.812 590 E CB -0.163 29.609 29.700 0.120 0.000 0.743 590 E HN 0.414 nan 8.360 nan 0.000 0.453 591 R N 0.088 120.596 120.500 0.013 0.000 2.148 591 R HA -0.201 4.139 4.340 0.001 0.000 0.230 591 R C 2.318 178.532 176.300 -0.144 0.000 1.120 591 R CA 1.898 57.967 56.100 -0.051 0.000 0.902 591 R CB -0.832 29.435 30.300 -0.055 0.000 0.839 591 R HN 0.169 nan 8.270 nan 0.000 0.431 592 F N 0.838 120.555 119.950 -0.388 0.000 2.115 592 F HA -0.340 4.188 4.527 0.001 0.000 0.300 592 F C 2.233 177.742 175.800 -0.485 0.000 1.092 592 F CA 1.711 59.348 58.000 -0.605 0.000 1.245 592 F CB -0.564 37.983 39.000 -0.754 0.000 0.995 592 F HN 0.109 nan 8.300 nan 0.000 0.481 593 Y N 1.247 121.307 120.300 -0.401 0.000 2.026 593 Y HA -0.333 4.217 4.550 0.001 0.000 0.253 593 Y C 3.002 178.834 175.900 -0.113 0.000 1.098 593 Y CA 2.630 60.610 58.100 -0.200 0.000 1.074 593 Y CB -1.253 37.124 38.460 -0.137 0.000 0.971 593 Y HN 0.155 nan 8.280 nan 0.000 0.482 594 S N 0.658 116.358 115.700 -0.001 0.000 2.402 594 S HA -0.311 4.160 4.470 0.001 0.000 0.233 594 S C 2.135 176.624 174.600 -0.185 0.000 1.030 594 S CA 1.487 59.632 58.200 -0.093 0.000 1.003 594 S CB -0.782 62.472 63.200 0.090 0.000 0.813 594 S HN 0.602 nan 8.310 nan 0.000 0.477 595 R N 0.848 121.212 120.500 -0.226 0.000 2.092 595 R HA -0.035 4.306 4.340 0.001 0.000 0.226 595 R C 1.540 177.757 176.300 -0.139 0.000 1.140 595 R CA 1.805 57.771 56.100 -0.223 0.000 0.910 595 R CB -0.561 29.504 30.300 -0.392 0.000 0.822 595 R HN 0.612 nan 8.270 nan 0.000 0.433 596 Y N 0.785 120.773 120.300 -0.519 0.000 2.471 596 Y HA -0.011 4.539 4.550 0.001 0.000 0.321 596 Y C 1.950 177.551 175.900 -0.500 0.000 1.195 596 Y CA -0.427 57.344 58.100 -0.548 0.000 1.272 596 Y CB 0.130 38.136 38.460 -0.756 0.000 1.097 596 Y HN 0.332 nan 8.280 nan 0.000 0.507 597 K N 0.904 121.114 120.400 -0.318 0.000 2.025 597 K HA -0.126 4.194 4.320 0.001 0.000 0.207 597 K C 0.139 176.539 176.600 -0.333 0.000 1.049 597 K CA 1.310 57.353 56.287 -0.407 0.000 0.933 597 K CB 0.082 32.258 32.500 -0.541 0.000 0.714 597 K HN 0.208 nan 8.250 nan 0.000 0.438 598 D N 1.316 121.554 120.400 -0.271 0.000 3.057 598 D HA 0.007 4.647 4.640 0.001 0.000 0.246 598 D C 0.313 176.430 176.300 -0.306 0.000 1.238 598 D CA 0.130 54.000 54.000 -0.216 0.000 0.949 598 D CB 0.993 41.715 40.800 -0.131 0.000 1.086 598 D HN 0.267 nan 8.370 nan 0.000 0.487 599 S N -0.435 114.906 115.700 -0.598 0.000 2.524 599 S HA 0.204 4.675 4.470 0.001 0.000 0.215 599 S C 0.345 174.564 174.600 -0.635 0.000 0.986 599 S CA -0.346 57.411 58.200 -0.738 0.000 0.911 599 S CB -0.054 62.504 63.200 -1.070 0.000 0.805 599 S HN 0.229 nan 8.310 nan 0.000 0.501 600 F N -1.006 118.917 119.950 -0.044 0.000 2.842 600 F HA 0.536 5.064 4.527 0.001 0.000 0.319 600 F C -0.226 175.557 175.800 -0.028 0.000 1.159 600 F CA -1.711 56.275 58.000 -0.023 0.000 0.902 600 F CB 0.636 39.643 39.000 0.011 0.000 1.311 600 F HN -0.305 nan 8.300 nan 0.000 0.453 601 K N -0.163 120.389 120.400 0.254 0.000 2.410 601 K HA 0.284 4.605 4.320 0.001 0.000 0.200 601 K C -0.583 176.072 176.600 0.092 0.000 1.023 601 K CA 0.016 56.381 56.287 0.130 0.000 1.149 601 K CB -0.118 32.422 32.500 0.066 0.000 0.859 601 K HN 0.383 nan 8.250 nan 0.000 0.514 602 N N 2.278 121.037 118.700 0.099 0.000 2.706 602 N HA 0.113 4.854 4.740 0.001 0.000 0.240 602 N C -2.196 173.246 175.510 -0.113 0.000 1.039 602 N CA -1.125 51.874 53.050 -0.085 0.000 0.888 602 N CB 1.548 39.890 38.487 -0.242 0.000 1.128 602 N HN 0.004 nan 8.380 nan 0.000 0.512 603 P HA 0.014 nan 4.420 nan 0.000 0.200 603 P C 1.252 178.490 177.300 -0.102 0.000 1.198 603 P CA 0.354 63.445 63.100 -0.015 0.000 0.892 603 P CB 0.580 32.291 31.700 0.019 0.000 0.724 604 R N 0.531 120.981 120.500 -0.083 0.000 2.351 604 R HA -0.229 4.111 4.340 0.001 0.000 0.266 604 R C 2.154 178.361 176.300 -0.155 0.000 1.119 604 R CA 1.866 57.907 56.100 -0.099 0.000 0.985 604 R CB -1.117 29.132 30.300 -0.085 0.000 0.901 604 R HN 0.449 nan 8.270 nan 0.000 0.475 605 K N -1.212 119.025 120.400 -0.272 0.000 1.973 605 K HA -0.130 4.191 4.320 0.001 0.000 0.212 605 K C 2.082 178.458 176.600 -0.374 0.000 1.047 605 K CA 1.487 57.528 56.287 -0.409 0.000 0.937 605 K CB -0.230 31.845 32.500 -0.709 0.000 0.721 605 K HN 0.421 nan 8.250 nan 0.000 0.440 606 H N 0.289 119.276 119.070 -0.138 0.000 2.315 606 H HA 0.170 4.726 4.556 0.001 0.000 0.318 606 H C 1.187 176.461 175.328 -0.090 0.000 1.068 606 H CA 0.283 56.293 56.048 -0.063 0.000 1.465 606 H CB -0.343 29.383 29.762 -0.060 0.000 1.475 606 H HN -0.005 nan 8.280 nan 0.000 0.597 607 I N 3.700 124.201 120.570 -0.116 0.000 3.113 607 I HA -0.132 4.038 4.170 0.001 0.000 0.318 607 I C 1.734 177.843 176.117 -0.013 0.000 1.158 607 I CA 0.347 61.456 61.300 -0.318 0.000 2.393 607 I CB -0.166 37.648 38.000 -0.311 0.000 1.678 607 I HN 0.252 nan 8.210 nan 0.000 1.132 608 K N 4.941 125.392 120.400 0.085 0.000 1.987 608 K HA -0.121 4.200 4.320 0.001 0.000 0.222 608 K C 0.335 176.957 176.600 0.036 0.000 1.029 608 K CA 0.967 57.270 56.287 0.028 0.000 1.011 608 K CB -0.067 32.444 32.500 0.018 0.000 0.769 608 K HN 0.165 nan 8.250 nan 0.000 0.444 609 Y N 0.977 121.374 120.300 0.162 0.000 2.641 609 Y HA -0.031 4.520 4.550 0.001 0.000 0.351 609 Y C 0.378 176.350 175.900 0.120 0.000 1.269 609 Y CA 0.309 58.460 58.100 0.085 0.000 1.485 609 Y CB 0.407 38.831 38.460 -0.060 0.000 1.364 609 Y HN 0.183 nan 8.280 nan 0.000 0.651 610 T N 3.858 118.495 114.554 0.138 0.000 2.824 610 T HA 0.174 4.525 4.350 0.001 0.000 0.282 610 T C -1.708 172.858 174.700 -0.223 0.000 0.993 610 T CA -1.435 60.588 62.100 -0.128 0.000 0.967 610 T CB 1.771 70.605 68.868 -0.057 0.000 0.960 610 T HN 0.429 nan 8.240 nan 0.000 0.441 611 P HA -0.231 nan 4.420 nan 0.000 0.218 611 P C 0.816 178.033 177.300 -0.139 0.000 1.154 611 P CA 1.535 64.525 63.100 -0.184 0.000 0.872 611 P CB 0.310 31.935 31.700 -0.124 0.000 0.790 612 D N 0.233 120.561 120.400 -0.119 0.000 2.097 612 D HA -0.154 4.486 4.640 0.001 0.000 0.195 612 D C 2.056 178.336 176.300 -0.033 0.000 0.989 612 D CA 1.145 55.113 54.000 -0.052 0.000 0.827 612 D CB -0.421 40.362 40.800 -0.030 0.000 0.966 612 D HN 0.386 nan 8.370 nan 0.000 0.456 613 E N 0.823 121.010 120.200 -0.021 0.000 2.038 613 E HA -0.150 4.201 4.350 0.001 0.000 0.195 613 E C 2.536 179.151 176.600 0.025 0.000 1.000 613 E CA 0.519 56.942 56.400 0.039 0.000 0.803 613 E CB -0.230 29.533 29.700 0.106 0.000 0.750 613 E HN 0.216 nan 8.360 nan 0.000 0.448 614 L N 0.850 122.019 121.223 -0.090 0.000 2.021 614 L HA -0.270 4.070 4.340 0.001 0.000 0.215 614 L C 2.658 179.482 176.870 -0.076 0.000 1.074 614 L CA 1.585 56.268 54.840 -0.261 0.000 0.760 614 L CB -0.862 40.821 42.059 -0.626 0.000 0.889 614 L HN 0.225 nan 8.230 nan 0.000 0.433 615 T N -1.252 113.265 114.554 -0.062 0.000 2.737 615 T HA -0.211 4.139 4.350 0.001 0.000 0.269 615 T C 1.817 176.527 174.700 0.018 0.000 1.040 615 T CA 1.960 64.052 62.100 -0.014 0.000 1.142 615 T CB -0.311 68.548 68.868 -0.014 0.000 0.861 615 T HN 0.434 nan 8.240 nan 0.000 0.456 616 T N 1.711 116.282 114.554 0.029 0.000 2.732 616 T HA -0.043 4.308 4.350 0.001 0.000 0.261 616 T C 2.249 176.992 174.700 0.072 0.000 1.040 616 T CA 0.973 63.100 62.100 0.045 0.000 1.145 616 T CB -0.573 68.324 68.868 0.049 0.000 0.866 616 T HN 0.192 nan 8.240 nan 0.000 0.427 617 V N 2.083 122.063 119.914 0.109 0.000 2.278 617 V HA -0.193 3.927 4.120 0.001 0.000 0.251 617 V C 2.502 178.685 176.094 0.149 0.000 1.062 617 V CA 1.652 64.051 62.300 0.165 0.000 1.038 617 V CB -0.902 31.088 31.823 0.280 0.000 0.646 617 V HN 0.440 nan 8.190 nan 0.000 0.447 618 L N 0.066 121.380 121.223 0.152 0.000 2.201 618 L HA -0.109 4.232 4.340 0.001 0.000 0.212 618 L C 2.289 179.174 176.870 0.024 0.000 1.105 618 L CA 1.149 56.041 54.840 0.086 0.000 0.775 618 L CB -0.630 41.463 42.059 0.058 0.000 0.913 618 L HN 0.411 nan 8.230 nan 0.000 0.440 619 N N -0.061 118.658 118.700 0.031 0.000 2.457 619 N HA -0.114 4.627 4.740 0.001 0.000 0.180 619 N C 1.500 177.024 175.510 0.024 0.000 1.050 619 N CA 0.717 53.777 53.050 0.017 0.000 0.906 619 N CB 0.115 38.613 38.487 0.017 0.000 0.968 619 N HN 0.525 nan 8.380 nan 0.000 0.445 620 Q N 0.103 119.926 119.800 0.038 0.000 2.444 620 Q HA 0.142 4.483 4.340 0.001 0.000 0.206 620 Q C 0.720 176.740 176.000 0.033 0.000 0.948 620 Q CA 0.131 55.956 55.803 0.038 0.000 0.946 620 Q CB 0.247 29.015 28.738 0.051 0.000 1.027 620 Q HN 0.300 nan 8.270 nan 0.000 0.513 621 L N 1.405 122.645 121.223 0.029 0.000 2.930 621 L HA 0.031 4.372 4.340 0.001 0.000 0.250 621 L C 0.968 177.852 176.870 0.024 0.000 1.320 621 L CA -0.139 54.718 54.840 0.028 0.000 1.163 621 L CB 0.048 42.117 42.059 0.017 0.000 1.542 621 L HN 0.044 nan 8.230 nan 0.000 0.428 622 V N 0.337 120.265 119.914 0.024 0.000 3.413 622 V HA 0.122 4.243 4.120 0.001 0.000 0.344 622 V C 0.777 176.889 176.094 0.030 0.000 1.225 622 V CA 0.326 62.641 62.300 0.024 0.000 1.324 622 V CB -0.541 31.294 31.823 0.020 0.000 1.161 622 V HN 0.519 nan 8.190 nan 0.000 0.432 623 R N 0.000 120.522 120.500 0.036 0.000 2.786 623 R HA 0.000 4.341 4.340 0.001 0.000 0.208 623 R CA 0.000 56.124 56.100 0.039 0.000 0.921 623 R CB 0.000 30.313 30.300 0.021 0.000 0.687 623 R HN 0.000 nan 8.270 nan 0.000 0.535