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_D DATA FIRST_RESID 73 DATA SEQUENCE SVKDLANEAS KYEIILQKGI NQVGLKQYTQ VVHKLDDXLE DIQSGQANXX 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 0.000 174.643 174.600 0.071 0.000 1.055 73 S CA 0.000 58.248 58.200 0.081 0.000 1.107 73 S CB 0.000 63.242 63.200 0.070 0.000 0.593 74 V N 1.211 121.121 119.914 -0.007 0.000 2.568 74 V HA -0.149 3.972 4.120 0.001 0.000 0.253 74 V C 2.172 178.208 176.094 -0.096 0.000 1.072 74 V CA 1.465 63.667 62.300 -0.163 0.000 1.084 74 V CB -0.315 31.217 31.823 -0.486 0.000 0.676 74 V HN 0.396 nan 8.190 nan 0.000 0.469 75 K N -0.793 119.567 120.400 -0.066 0.000 2.354 75 K HA 0.094 4.415 4.320 0.001 0.000 0.194 75 K C 1.558 178.137 176.600 -0.034 0.000 1.045 75 K CA 0.303 56.557 56.287 -0.054 0.000 1.026 75 K CB -0.055 32.411 32.500 -0.056 0.000 0.866 75 K HN 0.470 nan 8.250 nan 0.000 0.530 76 D N 1.461 121.851 120.400 -0.016 0.000 2.077 76 D HA -0.111 4.529 4.640 0.001 0.000 0.196 76 D C 1.968 178.255 176.300 -0.021 0.000 0.986 76 D CA 0.820 54.812 54.000 -0.013 0.000 0.829 76 D CB 0.163 40.965 40.800 0.003 0.000 0.983 76 D HN -0.045 nan 8.370 nan 0.000 0.453 77 L N 1.346 122.570 121.223 0.000 0.000 1.990 77 L HA -0.189 4.152 4.340 0.001 0.000 0.213 77 L C 2.747 179.599 176.870 -0.030 0.000 1.072 77 L CA 1.472 56.309 54.840 -0.004 0.000 0.755 77 L CB -1.723 40.359 42.059 0.039 0.000 0.889 77 L HN -0.037 nan 8.230 nan 0.000 0.432 78 A N 0.254 123.065 122.820 -0.015 0.000 1.903 78 A HA -0.301 4.019 4.320 0.001 0.000 0.219 78 A C 2.210 179.765 177.584 -0.049 0.000 1.191 78 A CA 2.239 54.264 52.037 -0.021 0.000 0.638 78 A CB -0.909 18.074 19.000 -0.029 0.000 0.823 78 A HN 0.572 nan 8.150 nan 0.000 0.451 79 N N -0.268 118.397 118.700 -0.058 0.000 2.223 79 N HA -0.192 4.549 4.740 0.001 0.000 0.185 79 N C 1.755 177.202 175.510 -0.106 0.000 1.016 79 N CA 1.763 54.772 53.050 -0.068 0.000 0.863 79 N CB -0.203 38.251 38.487 -0.056 0.000 0.983 79 N HN 0.759 nan 8.380 nan 0.000 0.429 80 E N -0.224 119.890 120.200 -0.143 0.000 2.122 80 E HA 0.008 4.359 4.350 0.001 0.000 0.190 80 E C 1.890 178.225 176.600 -0.442 0.000 0.977 80 E CA 0.620 56.864 56.400 -0.261 0.000 0.820 80 E CB -0.058 29.497 29.700 -0.241 0.000 0.770 80 E HN 0.373 nan 8.360 nan 0.000 0.462 81 A N 1.250 123.892 122.820 -0.296 0.000 1.873 81 A HA -0.276 4.045 4.320 0.001 0.000 0.218 81 A C 2.366 179.863 177.584 -0.146 0.000 1.193 81 A CA 2.470 54.366 52.037 -0.236 0.000 0.629 81 A CB -1.113 17.866 19.000 -0.035 0.000 0.826 81 A HN 0.476 nan 8.150 nan 0.000 0.447 82 S N 0.492 116.149 115.700 -0.072 0.000 2.372 82 S HA -0.331 4.139 4.470 0.001 0.000 0.227 82 S C 1.821 176.410 174.600 -0.019 0.000 1.044 82 S CA 1.823 60.015 58.200 -0.013 0.000 1.050 82 S CB -0.653 62.535 63.200 -0.020 0.000 0.901 82 S HN 0.646 nan 8.310 nan 0.000 0.447 83 K N 0.752 121.099 120.400 -0.089 0.000 2.089 83 K HA -0.179 4.142 4.320 0.001 0.000 0.210 83 K C 2.086 178.754 176.600 0.114 0.000 1.048 83 K CA 2.163 58.431 56.287 -0.031 0.000 0.926 83 K CB -0.525 31.913 32.500 -0.104 0.000 0.714 83 K HN 0.638 nan 8.250 nan 0.000 0.448 84 Y N 0.637 120.924 120.300 -0.021 0.000 2.133 84 Y HA -0.208 4.343 4.550 0.001 0.000 0.287 84 Y C 2.722 178.585 175.900 -0.063 0.000 1.134 84 Y CA 0.584 58.654 58.100 -0.050 0.000 1.133 84 Y CB -0.111 38.317 38.460 -0.055 0.000 0.987 84 Y HN 0.241 nan 8.280 nan 0.000 0.502 85 E N 1.182 121.462 120.200 0.133 0.000 2.130 85 E HA -0.232 4.119 4.350 0.001 0.000 0.196 85 E C 1.763 178.392 176.600 0.048 0.000 0.998 85 E CA 1.497 57.935 56.400 0.062 0.000 0.806 85 E CB -0.295 29.455 29.700 0.083 0.000 0.738 85 E HN 0.515 nan 8.360 nan 0.000 0.459 86 I N 0.855 121.457 120.570 0.054 0.000 2.916 86 I HA -0.202 3.968 4.170 0.001 0.000 0.267 86 I C 1.721 177.859 176.117 0.035 0.000 1.263 86 I CA 0.084 61.408 61.300 0.040 0.000 1.471 86 I CB -0.119 37.901 38.000 0.034 0.000 1.089 86 I HN 0.214 nan 8.210 nan 0.000 0.468 87 I N 0.313 120.902 120.570 0.032 0.000 2.522 87 I HA -0.089 4.082 4.170 0.001 0.000 0.240 87 I C 2.424 178.532 176.117 -0.014 0.000 1.078 87 I CA 1.171 62.474 61.300 0.005 0.000 1.422 87 I CB -1.024 36.967 38.000 -0.015 0.000 1.188 87 I HN 0.153 nan 8.210 nan 0.000 0.442 88 L N 0.615 121.785 121.223 -0.089 0.000 2.081 88 L HA -0.271 4.070 4.340 0.001 0.000 0.212 88 L C 2.647 179.573 176.870 0.093 0.000 1.080 88 L CA 1.470 56.239 54.840 -0.119 0.000 0.754 88 L CB -0.769 41.147 42.059 -0.239 0.000 0.893 88 L HN 0.404 nan 8.230 nan 0.000 0.433 89 Q N 0.968 120.796 119.800 0.047 0.000 2.197 89 Q HA -0.168 4.173 4.340 0.001 0.000 0.207 89 Q C 0.544 176.579 176.000 0.059 0.000 0.984 89 Q CA 1.307 57.143 55.803 0.055 0.000 0.869 89 Q CB 0.185 28.948 28.738 0.041 0.000 0.906 89 Q HN 0.438 nan 8.270 nan 0.000 0.426 90 K N 0.110 120.544 120.400 0.058 0.000 2.168 90 K HA 0.268 4.589 4.320 0.001 0.000 0.258 90 K C 0.036 176.668 176.600 0.054 0.000 1.010 90 K CA -0.100 56.213 56.287 0.043 0.000 0.929 90 K CB 0.740 33.258 32.500 0.032 0.000 0.998 90 K HN 0.209 nan 8.250 nan 0.000 0.479 91 G N 1.328 110.131 108.800 0.006 0.000 2.432 91 G HA2 -0.015 3.946 3.960 0.001 0.000 0.239 91 G HA3 -0.015 3.946 3.960 0.001 0.000 0.239 91 G C 1.037 175.865 174.900 -0.120 0.000 1.291 91 G CA -0.341 44.728 45.100 -0.051 0.000 0.863 91 G HN 0.658 nan 8.290 nan 0.000 0.560 92 I N 1.517 121.888 120.570 -0.333 0.000 2.208 92 I HA -0.262 3.909 4.170 0.001 0.000 0.245 92 I C 2.654 178.493 176.117 -0.463 0.000 1.097 92 I CA 1.691 62.624 61.300 -0.611 0.000 1.363 92 I CB -0.132 37.189 38.000 -1.132 0.000 1.051 92 I HN 0.650 nan 8.210 nan 0.000 0.413 93 N N 0.871 119.340 118.700 -0.386 0.000 2.272 93 N HA -0.274 4.467 4.740 0.001 0.000 0.185 93 N C 1.735 177.179 175.510 -0.110 0.000 1.014 93 N CA 1.181 54.109 53.050 -0.202 0.000 0.870 93 N CB -0.075 38.383 38.487 -0.048 0.000 0.975 93 N HN 0.355 nan 8.380 nan 0.000 0.433 94 Q N -0.350 119.392 119.800 -0.097 0.000 2.246 94 Q HA 0.169 4.510 4.340 0.001 0.000 0.202 94 Q C -0.887 175.089 176.000 -0.040 0.000 0.883 94 Q CA 0.098 55.872 55.803 -0.048 0.000 0.952 94 Q CB 0.511 29.233 28.738 -0.027 0.000 1.078 94 Q HN 0.138 nan 8.270 nan 0.000 0.493 95 V N 0.710 120.585 119.914 -0.064 0.000 2.703 95 V HA 0.268 4.389 4.120 0.001 0.000 0.290 95 V C 0.154 176.201 176.094 -0.078 0.000 1.035 95 V CA -0.394 61.883 62.300 -0.038 0.000 1.185 95 V CB 0.673 32.515 31.823 0.030 0.000 1.178 95 V HN 0.332 nan 8.190 nan 0.000 0.562 96 G N 2.385 111.131 108.800 -0.088 0.000 2.629 96 G HA2 -0.195 3.765 3.960 0.001 0.000 0.334 96 G HA3 -0.195 3.765 3.960 0.001 0.000 0.334 96 G C 0.991 175.781 174.900 -0.183 0.000 0.169 96 G CA 0.870 45.902 45.100 -0.113 0.000 1.174 96 G HN 0.842 nan 8.290 nan 0.000 0.506 97 L N 1.958 123.033 121.223 -0.247 0.000 2.272 97 L HA -0.354 3.987 4.340 0.001 0.000 0.233 97 L C 2.726 179.333 176.870 -0.439 0.000 1.125 97 L CA 3.262 57.892 54.840 -0.349 0.000 0.851 97 L CB -0.737 41.143 42.059 -0.299 0.000 0.933 97 L HN 0.725 nan 8.230 nan 0.000 0.452 98 K N -1.185 118.864 120.400 -0.585 0.000 2.059 98 K HA -0.268 4.052 4.320 0.001 0.000 0.212 98 K C 1.995 178.415 176.600 -0.301 0.000 1.050 98 K CA 2.283 58.108 56.287 -0.769 0.000 0.927 98 K CB -0.369 31.783 32.500 -0.580 0.000 0.714 98 K HN 0.633 nan 8.250 nan 0.000 0.447 99 Q N -0.181 119.515 119.800 -0.173 0.000 2.020 99 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 99 Q C 2.095 178.049 176.000 -0.077 0.000 0.982 99 Q CA 1.827 57.578 55.803 -0.086 0.000 0.838 99 Q CB -0.407 28.290 28.738 -0.069 0.000 0.899 99 Q HN 0.353 nan 8.270 nan 0.000 0.423 100 Y N 1.708 121.889 120.300 -0.199 0.000 2.102 100 Y HA -0.343 4.207 4.550 0.001 0.000 0.280 100 Y C 2.392 178.183 175.900 -0.182 0.000 1.178 100 Y CA 2.122 60.101 58.100 -0.202 0.000 1.146 100 Y CB -0.414 37.888 38.460 -0.263 0.000 0.968 100 Y HN 0.077 nan 8.280 nan 0.000 0.504 101 T N 0.434 114.995 114.554 0.012 0.000 2.580 101 T HA -0.309 4.041 4.350 0.001 0.000 0.265 101 T C 1.712 176.528 174.700 0.193 0.000 1.063 101 T CA 2.031 64.174 62.100 0.072 0.000 1.170 101 T CB -0.487 68.518 68.868 0.228 0.000 0.863 101 T HN 0.479 nan 8.240 nan 0.000 0.418 102 Q N 0.264 120.199 119.800 0.225 0.000 2.082 102 Q HA -0.161 4.180 4.340 0.001 0.000 0.211 102 Q C 2.560 178.579 176.000 0.031 0.000 1.002 102 Q CA 1.861 57.790 55.803 0.211 0.000 0.868 102 Q CB -0.773 28.009 28.738 0.074 0.000 0.931 102 Q HN 0.402 nan 8.270 nan 0.000 0.414 103 V N 0.392 120.205 119.914 -0.168 0.000 2.287 103 V HA -0.249 3.872 4.120 0.001 0.000 0.248 103 V C 2.315 178.231 176.094 -0.296 0.000 1.053 103 V CA 1.758 63.832 62.300 -0.377 0.000 1.027 103 V CB -0.793 30.757 31.823 -0.455 0.000 0.646 103 V HN 0.205 nan 8.190 nan 0.000 0.447 104 V N -0.450 119.312 119.914 -0.252 0.000 2.469 104 V HA -0.272 3.849 4.120 0.001 0.000 0.251 104 V C 2.413 178.450 176.094 -0.095 0.000 1.064 104 V CA 2.002 64.191 62.300 -0.184 0.000 1.066 104 V CB -1.010 30.718 31.823 -0.158 0.000 0.667 104 V HN 0.608 nan 8.190 nan 0.000 0.461 105 H N 1.237 120.307 119.070 0.001 0.000 2.256 105 H HA -0.099 4.458 4.556 0.001 0.000 0.299 105 H C 2.351 177.661 175.328 -0.030 0.000 1.071 105 H CA 1.772 57.818 56.048 -0.003 0.000 1.280 105 H CB -0.335 29.430 29.762 0.005 0.000 1.370 105 H HN 0.408 nan 8.280 nan 0.000 0.490 106 K N 0.499 120.940 120.400 0.068 0.000 2.293 106 K HA -0.155 4.165 4.320 0.001 0.000 0.204 106 K C 2.249 178.908 176.600 0.098 0.000 1.045 106 K CA 0.918 57.222 56.287 0.027 0.000 0.933 106 K CB -0.010 32.403 32.500 -0.145 0.000 0.736 106 K HN 0.213 nan 8.250 nan 0.000 0.463 107 L N 0.099 121.356 121.223 0.056 0.000 2.145 107 L HA -0.075 4.266 4.340 0.001 0.000 0.201 107 L C 2.230 179.137 176.870 0.062 0.000 1.075 107 L CA 0.640 55.536 54.840 0.095 0.000 0.773 107 L CB -0.246 41.843 42.059 0.050 0.000 0.936 107 L HN 0.132 nan 8.230 nan 0.000 0.451 108 D N 0.190 120.613 120.400 0.037 0.000 2.309 108 D HA -0.129 4.512 4.640 0.001 0.000 0.212 108 D C 0.514 176.843 176.300 0.048 0.000 0.968 108 D CA 0.635 54.654 54.000 0.033 0.000 0.882 108 D CB 0.107 40.914 40.800 0.013 0.000 0.918 108 D HN 0.262 nan 8.370 nan 0.000 0.503 112 E N -0.254 119.968 120.200 0.037 0.000 2.250 112 E HA -0.074 4.276 4.350 0.001 0.000 0.192 112 E C 0.546 177.159 176.600 0.022 0.000 0.986 112 E CA 0.885 57.300 56.400 0.027 0.000 0.849 112 E CB 0.204 29.919 29.700 0.024 0.000 0.797 112 E HN 0.520 nan 8.360 nan 0.000 0.482 113 D N 0.247 120.665 120.400 0.030 0.000 2.392 113 D HA -0.061 4.580 4.640 0.001 0.000 0.228 113 D C 1.238 177.550 176.300 0.020 0.000 1.003 113 D CA 0.753 54.769 54.000 0.026 0.000 0.917 113 D CB 0.353 41.176 40.800 0.038 0.000 0.890 113 D HN 0.385 nan 8.370 nan 0.000 0.532 114 I N -0.347 120.235 120.570 0.020 0.000 4.327 114 I HA 0.019 4.190 4.170 0.001 0.000 0.331 114 I C 1.641 177.748 176.117 -0.016 0.000 1.348 114 I CA 0.064 61.368 61.300 0.007 0.000 1.152 114 I CB 0.463 38.489 38.000 0.044 0.000 1.151 114 I HN -0.241 nan 8.210 nan 0.000 0.410 115 Q N 0.438 120.236 119.800 -0.003 0.000 2.384 115 Q HA 0.053 4.393 4.340 0.001 0.000 0.207 115 Q C 1.924 177.914 176.000 -0.016 0.000 0.904 115 Q CA 0.838 56.637 55.803 -0.008 0.000 0.933 115 Q CB 0.461 29.204 28.738 0.008 0.000 1.077 115 Q HN 0.464 nan 8.270 nan 0.000 0.522 116 S N -1.279 114.412 115.700 -0.015 0.000 2.575 116 S HA 0.112 4.583 4.470 0.001 0.000 0.215 116 S C 1.401 175.984 174.600 -0.029 0.000 0.966 116 S CA 0.324 58.514 58.200 -0.017 0.000 0.911 116 S CB 0.616 63.811 63.200 -0.008 0.000 0.780 116 S HN 0.295 nan 8.310 nan 0.000 0.514 117 G N 0.367 109.139 108.800 -0.046 0.000 3.228 117 G HA2 0.221 4.181 3.960 0.001 0.000 0.245 117 G HA3 0.221 4.181 3.960 0.001 0.000 0.245 117 G C 1.083 175.918 174.900 -0.108 0.000 1.051 117 G CA -0.234 44.824 45.100 -0.070 0.000 0.809 117 G HN 0.441 nan 8.290 nan 0.000 0.531 118 Q N 0.377 120.121 119.800 -0.094 0.000 2.119 118 Q HA 0.034 4.375 4.340 0.001 0.000 0.201 118 Q C 2.575 178.524 176.000 -0.084 0.000 0.972 118 Q CA 1.296 57.036 55.803 -0.106 0.000 0.847 118 Q CB -0.044 28.654 28.738 -0.066 0.000 0.903 118 Q HN 0.417 nan 8.270 nan 0.000 0.433 119 A N 0.470 123.255 122.820 -0.058 0.000 2.259 119 A HA 0.021 4.341 4.320 0.001 0.000 0.208 119 A C 0.442 177.998 177.584 -0.046 0.000 1.201 119 A CA 0.055 52.066 52.037 -0.044 0.000 0.824 119 A CB 0.015 18.997 19.000 -0.030 0.000 0.838 119 A HN 0.164 nan 8.150 nan 0.000 0.485 125 S N 0.714 116.541 115.700 0.213 0.000 2.500 125 S HA 0.013 4.484 4.470 0.001 0.000 0.239 125 S C 1.136 175.859 174.600 0.204 0.000 0.989 125 S CA 0.963 59.259 58.200 0.160 0.000 0.951 125 S CB -0.047 63.207 63.200 0.090 0.000 0.759 125 S HN 0.327 nan 8.310 nan 0.000 0.523 126 E N -0.825 119.547 120.200 0.287 0.000 2.539 126 E HA 0.229 4.580 4.350 0.001 0.000 0.215 126 E C 0.335 176.910 176.600 -0.042 0.000 0.965 126 E CA -0.017 56.428 56.400 0.075 0.000 1.019 126 E CB 0.203 29.859 29.700 -0.072 0.000 1.059 126 E HN 0.586 nan 8.360 nan 0.000 0.496 127 F N -0.387 119.605 119.950 0.070 0.000 2.582 127 F HA 0.089 4.617 4.527 0.001 0.000 0.290 127 F C 2.161 178.010 175.800 0.081 0.000 1.115 127 F CA 0.342 58.378 58.000 0.059 0.000 1.445 127 F CB -0.527 38.503 39.000 0.050 0.000 1.126 127 F HN 0.073 nan 8.300 nan 0.000 0.574 128 H N 0.661 119.861 119.070 0.217 0.000 2.437 128 H HA -0.154 4.403 4.556 0.001 0.000 0.296 128 H C 2.330 177.712 175.328 0.090 0.000 1.121 128 H CA 1.577 57.700 56.048 0.126 0.000 1.255 128 H CB -0.602 29.218 29.762 0.097 0.000 1.366 128 H HN 0.239 nan 8.280 nan 0.000 0.512 129 G N 0.343 109.124 108.800 -0.032 0.000 2.511 129 G HA2 -0.281 3.680 3.960 0.001 0.000 0.216 129 G HA3 -0.281 3.680 3.960 0.001 0.000 0.216 129 G C 1.745 176.592 174.900 -0.087 0.000 1.218 129 G CA 1.014 46.045 45.100 -0.114 0.000 0.788 129 G HN 0.489 nan 8.290 nan 0.000 0.560 130 I N 0.245 120.803 120.570 -0.020 0.000 2.353 130 I HA 0.038 4.209 4.170 0.001 0.000 0.248 130 I C 2.413 178.575 176.117 0.075 0.000 1.119 130 I CA 0.500 61.817 61.300 0.028 0.000 1.417 130 I CB -0.278 37.739 38.000 0.027 0.000 1.078 130 I HN 0.157 nan 8.210 nan 0.000 0.421 131 L N 0.250 121.513 121.223 0.068 0.000 1.978 131 L HA -0.282 4.058 4.340 0.001 0.000 0.218 131 L C 2.447 179.343 176.870 0.043 0.000 1.075 131 L CA 2.711 57.596 54.840 0.076 0.000 0.767 131 L CB -1.432 40.694 42.059 0.113 0.000 0.890 131 L HN 0.294 nan 8.230 nan 0.000 0.434 132 T N -1.629 112.910 114.554 -0.024 0.000 2.737 132 T HA -0.308 4.043 4.350 0.001 0.000 0.269 132 T C 1.796 176.514 174.700 0.030 0.000 1.040 132 T CA 1.776 63.858 62.100 -0.030 0.000 1.142 132 T CB -0.615 68.162 68.868 -0.151 0.000 0.861 132 T HN 0.619 nan 8.240 nan 0.000 0.456 133 H N 0.496 119.538 119.070 -0.047 0.000 2.457 133 H HA -0.013 4.544 4.556 0.001 0.000 0.297 133 H C 1.737 177.065 175.328 -0.000 0.000 1.092 133 H CA 1.089 57.123 56.048 -0.023 0.000 1.309 133 H CB -0.373 29.373 29.762 -0.026 0.000 1.382 133 H HN 0.183 nan 8.280 nan 0.000 0.535 134 L N 0.370 121.563 121.223 -0.050 0.000 2.023 134 L HA -0.046 4.295 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 1.941 56.733 54.840 -0.081 0.000 0.745 134 L CB -1.040 41.023 42.059 0.006 0.000 0.900 134 L HN 0.359 nan 8.230 nan 0.000 0.435 135 E N -0.841 119.349 120.200 -0.017 0.000 2.147 135 E HA -0.287 4.064 4.350 0.001 0.000 0.199 135 E C 2.124 178.716 176.600 -0.014 0.000 1.005 135 E CA 1.373 57.774 56.400 0.001 0.000 0.810 135 E CB 0.138 29.852 29.700 0.023 0.000 0.736 135 E HN 0.440 nan 8.360 nan 0.000 0.460 136 Q N 0.083 119.860 119.800 -0.039 0.000 1.990 136 Q HA -0.147 4.193 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 0.817 56.594 55.803 -0.042 0.000 0.832 136 Q CB -0.654 28.065 28.738 -0.032 0.000 0.897 136 Q HN 0.312 nan 8.270 nan 0.000 0.427 137 L N 1.056 122.170 121.223 -0.180 0.000 2.129 137 L HA -0.158 4.182 4.340 0.001 0.000 0.212 137 L C 2.002 178.826 176.870 -0.077 0.000 1.087 137 L CA 1.376 56.114 54.840 -0.170 0.000 0.757 137 L CB -0.565 41.319 42.059 -0.291 0.000 0.896 137 L HN 0.157 nan 8.230 nan 0.000 0.434 138 I N -0.965 119.573 120.570 -0.054 0.000 2.130 138 I HA -0.288 3.883 4.170 0.001 0.000 0.234 138 I C 2.462 178.596 176.117 0.028 0.000 1.067 138 I CA 1.172 62.466 61.300 -0.011 0.000 1.339 138 I CB -0.508 37.494 38.000 0.003 0.000 1.073 138 I HN 0.138 nan 8.210 nan 0.000 0.405 139 K N 0.514 120.934 120.400 0.034 0.000 2.052 139 K HA -0.308 4.012 4.320 0.001 0.000 0.215 139 K C 2.300 178.938 176.600 0.062 0.000 1.053 139 K CA 1.968 58.289 56.287 0.056 0.000 0.934 139 K CB -0.377 32.148 32.500 0.042 0.000 0.717 139 K HN 0.237 nan 8.250 nan 0.000 0.450 140 R N 0.634 121.159 120.500 0.041 0.000 2.080 140 R HA -0.151 4.190 4.340 0.001 0.000 0.236 140 R C 2.399 178.744 176.300 0.075 0.000 1.137 140 R CA 2.089 58.217 56.100 0.047 0.000 0.943 140 R CB -0.230 30.087 30.300 0.030 0.000 0.846 140 R HN 0.076 nan 8.270 nan 0.000 0.431 141 S N 0.627 116.378 115.700 0.084 0.000 2.353 141 S HA -0.154 4.316 4.470 0.001 0.000 0.222 141 S C 1.652 176.350 174.600 0.162 0.000 1.035 141 S CA 1.571 59.870 58.200 0.165 0.000 1.025 141 S CB -0.215 63.040 63.200 0.092 0.000 0.902 141 S HN 0.439 nan 8.310 nan 0.000 0.440 142 E N 1.199 121.477 120.200 0.130 0.000 2.070 142 E HA -0.200 4.151 4.350 0.001 0.000 0.197 142 E C 2.372 179.100 176.600 0.212 0.000 1.004 142 E CA 1.172 57.680 56.400 0.180 0.000 0.805 142 E CB -0.331 29.534 29.700 0.275 0.000 0.744 142 E HN 0.521 nan 8.360 nan 0.000 0.451 143 A N 1.402 124.308 122.820 0.143 0.000 1.948 143 A HA -0.272 4.049 4.320 0.001 0.000 0.220 143 A C 2.034 179.667 177.584 0.082 0.000 1.177 143 A CA 1.572 53.668 52.037 0.098 0.000 0.636 143 A CB -0.501 18.539 19.000 0.065 0.000 0.815 143 A HN 0.232 nan 8.150 nan 0.000 0.449 144 Q N -0.799 119.038 119.800 0.061 0.000 2.297 144 Q HA 0.028 4.369 4.340 0.001 0.000 0.204 144 Q C 1.916 177.915 176.000 -0.002 0.000 0.962 144 Q CA 0.764 56.570 55.803 0.005 0.000 0.879 144 Q CB -0.196 28.505 28.738 -0.062 0.000 0.947 144 Q HN 0.700 nan 8.270 nan 0.000 0.462 145 L N -0.152 121.093 121.223 0.038 0.000 2.044 145 L HA -0.142 4.199 4.340 0.001 0.000 0.205 145 L C 2.398 179.412 176.870 0.239 0.000 1.075 145 L CA 1.016 55.904 54.840 0.080 0.000 0.747 145 L CB -0.250 41.813 42.059 0.007 0.000 0.903 145 L HN 0.146 nan 8.230 nan 0.000 0.435 146 R N -0.520 120.109 120.500 0.214 0.000 2.096 146 R HA -0.169 4.172 4.340 0.001 0.000 0.240 146 R C 2.195 178.612 176.300 0.194 0.000 1.139 146 R CA 1.530 57.711 56.100 0.134 0.000 0.952 146 R CB -0.704 29.599 30.300 0.004 0.000 0.854 146 R HN 0.183 nan 8.270 nan 0.000 0.436 147 V N 0.199 120.196 119.914 0.138 0.000 2.261 147 V HA -0.294 3.827 4.120 0.001 0.000 0.246 147 V C 2.004 178.189 176.094 0.151 0.000 1.047 147 V CA 1.888 64.257 62.300 0.114 0.000 1.015 147 V CB -0.698 31.172 31.823 0.078 0.000 0.642 147 V HN 0.278 nan 8.190 nan 0.000 0.446 148 Y N 0.049 120.364 120.300 0.025 0.000 2.114 148 Y HA -0.314 4.237 4.550 0.001 0.000 0.282 148 Y C 2.293 178.246 175.900 0.089 0.000 1.165 148 Y CA 1.644 59.749 58.100 0.009 0.000 1.148 148 Y CB -0.704 37.721 38.460 -0.057 0.000 0.972 148 Y HN 0.254 nan 8.280 nan 0.000 0.504 149 F N 0.456 120.429 119.950 0.038 0.000 2.027 149 F HA -0.326 4.202 4.527 0.001 0.000 0.297 149 F C 2.281 178.043 175.800 -0.063 0.000 1.129 149 F CA 2.199 60.190 58.000 -0.015 0.000 1.195 149 F CB -0.965 38.071 39.000 0.061 0.000 0.960 149 F HN 0.045 nan 8.300 nan 0.000 0.485 150 I N -0.729 119.830 120.570 -0.019 0.000 2.264 150 I HA -0.351 3.820 4.170 0.001 0.000 0.248 150 I C 2.717 178.750 176.117 -0.139 0.000 1.111 150 I CA 1.557 62.783 61.300 -0.123 0.000 1.382 150 I CB -0.992 37.000 38.000 -0.014 0.000 1.060 150 I HN 0.268 nan 8.210 nan 0.000 0.418 151 S N 1.446 117.078 115.700 -0.113 0.000 2.359 151 S HA -0.192 4.279 4.470 0.001 0.000 0.224 151 S C 2.044 176.534 174.600 -0.184 0.000 1.035 151 S CA 1.497 59.620 58.200 -0.129 0.000 1.018 151 S CB -0.355 62.770 63.200 -0.125 0.000 0.876 151 S HN 0.351 nan 8.310 nan 0.000 0.448 152 I N 1.374 121.774 120.570 -0.283 0.000 2.099 152 I HA -0.213 3.958 4.170 0.001 0.000 0.239 152 I C 2.378 178.446 176.117 -0.081 0.000 1.066 152 I CA 1.426 62.583 61.300 -0.238 0.000 1.324 152 I CB -0.608 37.213 38.000 -0.298 0.000 1.037 152 I HN 0.301 nan 8.210 nan 0.000 0.401 153 L N 0.690 121.822 121.223 -0.152 0.000 2.137 153 L HA -0.265 4.076 4.340 0.001 0.000 0.213 153 L C 1.883 178.788 176.870 0.058 0.000 1.085 153 L CA 1.379 56.232 54.840 0.022 0.000 0.760 153 L CB -0.711 41.227 42.059 -0.202 0.000 0.893 153 L HN 0.422 nan 8.230 nan 0.000 0.434 154 N N -0.567 118.103 118.700 -0.050 0.000 2.398 154 N HA -0.043 4.697 4.740 0.001 0.000 0.188 154 N C 1.690 177.151 175.510 -0.082 0.000 1.122 154 N CA 0.879 53.893 53.050 -0.061 0.000 0.866 154 N CB 0.205 38.657 38.487 -0.059 0.000 0.970 154 N HN 0.340 nan 8.380 nan 0.000 0.462 155 S N 0.291 115.931 115.700 -0.100 0.000 2.584 155 S HA 0.024 4.494 4.470 0.001 0.000 0.240 155 S C 0.823 175.333 174.600 -0.151 0.000 0.975 155 S CA 0.325 58.457 58.200 -0.113 0.000 0.949 155 S CB -0.484 62.653 63.200 -0.106 0.000 0.761 155 S HN 0.218 nan 8.310 nan 0.000 0.536 156 I N 0.895 121.354 120.570 -0.185 0.000 2.862 156 I HA 0.331 4.502 4.170 0.001 0.000 0.285 156 I C -0.559 175.530 176.117 -0.047 0.000 1.339 156 I CA -0.879 60.321 61.300 -0.167 0.000 1.002 156 I CB 0.776 38.568 38.000 -0.346 0.000 1.618 156 I HN -0.132 nan 8.210 nan 0.000 0.593 157 K N 3.865 124.259 120.400 -0.010 0.000 2.527 157 K HA 0.098 4.418 4.320 0.001 0.000 0.278 157 K C -2.213 174.441 176.600 0.090 0.000 0.981 157 K CA -0.724 55.577 56.287 0.024 0.000 1.009 157 K CB -0.043 32.473 32.500 0.026 0.000 0.895 157 K HN 0.104 nan 8.250 nan 0.000 0.493 158 P HA -0.038 nan 4.420 nan 0.000 0.266 158 P C -0.966 176.379 177.300 0.075 0.000 1.186 158 P CA 0.378 63.454 63.100 -0.039 0.000 0.767 158 P CB 0.258 31.946 31.700 -0.019 0.000 0.820 159 F N -1.307 118.670 119.950 0.045 0.000 2.662 159 F HA 0.524 5.052 4.527 0.001 0.000 0.312 159 F C -0.818 174.765 175.800 -0.362 0.000 1.113 159 F CA -1.822 56.085 58.000 -0.155 0.000 0.951 159 F CB 0.681 39.590 39.000 -0.153 0.000 1.344 159 F HN 0.069 nan 8.300 nan 0.000 0.462 160 D N 2.893 122.990 120.400 -0.505 0.000 2.325 160 D HA 0.342 4.982 4.640 0.001 0.000 0.251 160 D C -1.651 174.655 176.300 0.010 0.000 1.196 160 D CA -2.161 51.462 54.000 -0.629 0.000 0.866 160 D CB 1.323 41.671 40.800 -0.754 0.000 1.101 160 D HN 0.348 nan 8.370 nan 0.000 0.476 161 P HA -0.096 nan 4.420 nan 0.000 0.240 161 P C 1.144 178.540 177.300 0.160 0.000 1.190 161 P CA 0.260 63.506 63.100 0.244 0.000 0.781 161 P CB 0.428 32.245 31.700 0.194 0.000 0.931 162 Q N 0.482 120.309 119.800 0.045 0.000 2.268 162 Q HA -0.190 4.151 4.340 0.001 0.000 0.213 162 Q C 1.843 177.852 176.000 0.016 0.000 0.995 162 Q CA 1.642 57.441 55.803 -0.006 0.000 0.901 162 Q CB -0.928 27.738 28.738 -0.120 0.000 0.921 162 Q HN 0.157 nan 8.270 nan 0.000 0.421 163 I N -0.008 120.575 120.570 0.021 0.000 2.400 163 I HA -0.125 4.046 4.170 0.001 0.000 0.248 163 I C 1.216 177.356 176.117 0.038 0.000 1.109 163 I CA 0.965 62.273 61.300 0.013 0.000 1.425 163 I CB -1.232 36.759 38.000 -0.014 0.000 1.094 163 I HN 0.257 nan 8.210 nan 0.000 0.425 164 N N 0.878 119.637 118.700 0.097 0.000 2.443 164 N HA -0.135 4.605 4.740 0.001 0.000 0.184 164 N C 1.579 177.116 175.510 0.044 0.000 1.037 164 N CA 0.947 54.058 53.050 0.102 0.000 0.896 164 N CB -0.022 38.658 38.487 0.321 0.000 0.959 164 N HN 0.244 nan 8.380 nan 0.000 0.442 165 I N 0.071 120.683 120.570 0.070 0.000 2.364 165 I HA -0.059 4.111 4.170 0.001 0.000 0.241 165 I C 1.910 178.041 176.117 0.022 0.000 1.082 165 I CA 1.061 62.386 61.300 0.042 0.000 1.401 165 I CB -1.473 36.573 38.000 0.075 0.000 1.126 165 I HN 0.075 nan 8.210 nan 0.000 0.429 166 T N 2.032 116.601 114.554 0.026 0.000 2.607 166 T HA -0.150 4.201 4.350 0.001 0.000 0.267 166 T C 1.382 176.085 174.700 0.006 0.000 1.049 166 T CA 1.332 63.443 62.100 0.019 0.000 1.162 166 T CB -0.148 68.730 68.868 0.017 0.000 0.863 166 T HN 0.087 nan 8.240 nan 0.000 0.424 167 K N 1.853 122.252 120.400 -0.002 0.000 2.708 167 K HA 0.258 4.579 4.320 0.001 0.000 0.219 167 K C 0.407 176.993 176.600 -0.024 0.000 1.068 167 K CA -0.105 56.175 56.287 -0.012 0.000 1.212 167 K CB -0.296 32.195 32.500 -0.015 0.000 0.978 167 K HN 0.450 nan 8.250 nan 0.000 0.475 171 F N 0.615 120.499 119.950 -0.110 0.000 2.382 171 F HA 0.356 4.884 4.527 0.001 0.000 0.331 171 F C -1.435 174.323 175.800 -0.070 0.000 1.121 171 F CA -1.806 56.126 58.000 -0.113 0.000 1.183 171 F CB 0.802 39.779 39.000 -0.040 0.000 1.207 171 F HN 0.001 nan 8.300 nan 0.000 0.555 172 P HA 0.001 nan 4.420 nan 0.000 0.269 172 P C -1.598 175.808 177.300 0.176 0.000 1.209 172 P CA 0.274 63.367 63.100 -0.011 0.000 0.776 172 P CB 0.408 31.985 31.700 -0.204 0.000 0.876 173 Y N 1.176 121.481 120.300 0.009 0.000 2.553 173 Y HA 0.411 4.961 4.550 0.001 0.000 0.347 173 Y C -0.665 175.262 175.900 0.045 0.000 1.019 173 Y CA -1.124 57.027 58.100 0.085 0.000 1.032 173 Y CB 1.070 39.608 38.460 0.129 0.000 1.284 173 Y HN 0.280 nan 8.280 nan 0.000 0.466 174 Y N 2.936 123.028 120.300 -0.348 0.000 2.620 174 Y HA 0.057 4.608 4.550 0.001 0.000 0.330 174 Y C 0.876 176.802 175.900 0.044 0.000 1.186 174 Y CA 0.140 58.133 58.100 -0.179 0.000 1.467 174 Y CB 0.182 38.464 38.460 -0.297 0.000 1.262 174 Y HN 0.498 nan 8.280 nan 0.000 0.550 175 E N 2.318 122.621 120.200 0.173 0.000 2.428 175 E HA -0.098 4.252 4.350 0.001 0.000 0.257 175 E C 0.388 177.094 176.600 0.177 0.000 1.197 175 E CA -0.188 56.308 56.400 0.160 0.000 0.974 175 E CB 0.546 30.301 29.700 0.092 0.000 0.976 175 E HN 0.670 nan 8.360 nan 0.000 0.463 176 D N 0.955 121.445 120.400 0.149 0.000 2.077 176 D HA -0.234 4.407 4.640 0.001 0.000 0.193 176 D C 1.808 178.181 176.300 0.121 0.000 0.989 176 D CA 1.344 55.427 54.000 0.138 0.000 0.831 176 D CB -0.261 40.604 40.800 0.109 0.000 0.979 176 D HN 0.507 nan 8.370 nan 0.000 0.449 177 Q N 0.647 120.508 119.800 0.101 0.000 2.173 177 Q HA -0.263 4.078 4.340 0.001 0.000 0.208 177 Q C 2.093 178.153 176.000 0.100 0.000 0.989 177 Q CA 1.608 57.468 55.803 0.095 0.000 0.872 177 Q CB 0.017 28.801 28.738 0.076 0.000 0.909 177 Q HN 0.387 nan 8.270 nan 0.000 0.420 178 Q N -0.063 119.796 119.800 0.098 0.000 2.050 178 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 178 Q C 2.318 178.367 176.000 0.081 0.000 0.980 178 Q CA 1.485 57.340 55.803 0.088 0.000 0.840 178 Q CB -0.106 28.706 28.738 0.123 0.000 0.898 178 Q HN 0.431 nan 8.270 nan 0.000 0.424 179 L N 0.109 121.384 121.223 0.087 0.000 2.012 179 L HA -0.188 4.153 4.340 0.001 0.000 0.210 179 L C 2.469 179.406 176.870 0.112 0.000 1.073 179 L CA 1.321 56.200 54.840 0.065 0.000 0.748 179 L CB -1.079 41.040 42.059 0.099 0.000 0.891 179 L HN 0.365 nan 8.230 nan 0.000 0.431 180 G N -0.340 108.542 108.800 0.137 0.000 2.529 180 G HA2 -0.359 3.601 3.960 0.001 0.000 0.219 180 G HA3 -0.359 3.601 3.960 0.001 0.000 0.219 180 G C 1.717 176.765 174.900 0.248 0.000 1.177 180 G CA 1.225 46.434 45.100 0.182 0.000 0.773 180 G HN 0.509 nan 8.290 nan 0.000 0.573 181 A N 0.685 123.633 122.820 0.214 0.000 1.841 181 A HA -0.020 4.300 4.320 0.001 0.000 0.216 181 A C 2.512 180.286 177.584 0.317 0.000 1.199 181 A CA 1.714 53.901 52.037 0.249 0.000 0.621 181 A CB -0.725 18.382 19.000 0.178 0.000 0.835 181 A HN 0.378 nan 8.150 nan 0.000 0.445 182 L N -0.492 120.887 121.223 0.259 0.000 2.010 182 L HA -0.280 4.061 4.340 0.001 0.000 0.219 182 L C 2.951 180.022 176.870 0.335 0.000 1.077 182 L CA 1.908 56.981 54.840 0.388 0.000 0.773 182 L CB -0.675 41.483 42.059 0.165 0.000 0.892 182 L HN 0.550 nan 8.230 nan 0.000 0.436 183 S N -0.764 115.057 115.700 0.201 0.000 2.365 183 S HA -0.258 4.213 4.470 0.001 0.000 0.225 183 S C 1.799 176.481 174.600 0.138 0.000 1.039 183 S CA 1.447 59.705 58.200 0.096 0.000 1.033 183 S CB -0.478 62.770 63.200 0.079 0.000 0.887 183 S HN 0.537 nan 8.310 nan 0.000 0.447 184 W N 1.950 123.295 121.300 0.074 0.000 2.311 184 W HA -0.164 4.496 4.660 0.001 0.000 0.326 184 W C 1.961 178.529 176.519 0.083 0.000 1.239 184 W CA 1.681 59.076 57.345 0.085 0.000 1.258 184 W CB -1.131 28.388 29.460 0.098 0.000 1.165 184 W HN 0.390 nan 8.180 nan 0.000 0.466 185 I N 0.552 121.421 120.570 0.499 0.000 2.335 185 I HA -0.373 3.798 4.170 0.001 0.000 0.251 185 I C 2.642 178.839 176.117 0.133 0.000 1.129 185 I CA 1.181 62.650 61.300 0.282 0.000 1.402 185 I CB -0.847 37.266 38.000 0.188 0.000 1.069 185 I HN -0.020 nan 8.210 nan 0.000 0.424 186 L N 0.224 121.464 121.223 0.028 0.000 2.017 186 L HA -0.257 4.083 4.340 0.001 0.000 0.208 186 L C 2.506 179.412 176.870 0.059 0.000 1.073 186 L CA 1.613 56.432 54.840 -0.034 0.000 0.745 186 L CB -0.647 41.354 42.059 -0.096 0.000 0.894 186 L HN 0.383 nan 8.230 nan 0.000 0.432 187 D N -0.537 119.865 120.400 0.003 0.000 2.092 187 D HA -0.303 4.338 4.640 0.001 0.000 0.193 187 D C 2.095 178.412 176.300 0.028 0.000 0.994 187 D CA 1.534 55.528 54.000 -0.010 0.000 0.828 187 D CB -0.138 40.573 40.800 -0.148 0.000 0.963 187 D HN 0.324 nan 8.370 nan 0.000 0.450 188 Y N 0.118 120.368 120.300 -0.082 0.000 2.102 188 Y HA -0.314 4.237 4.550 0.001 0.000 0.280 188 Y C 2.143 177.888 175.900 -0.259 0.000 1.178 188 Y CA 2.209 60.224 58.100 -0.142 0.000 1.146 188 Y CB -0.629 37.710 38.460 -0.202 0.000 0.968 188 Y HN -0.033 nan 8.280 nan 0.000 0.504 189 F N -1.616 118.391 119.950 0.096 0.000 2.147 189 F HA -0.134 4.394 4.527 0.001 0.000 0.291 189 F C 2.591 178.327 175.800 -0.107 0.000 1.093 189 F CA 1.316 59.286 58.000 -0.050 0.000 1.263 189 F CB -0.770 38.157 39.000 -0.123 0.000 1.036 189 F HN 0.043 nan 8.300 nan 0.000 0.481 190 H N -0.308 118.836 119.070 0.123 0.000 2.492 190 H HA -0.090 4.467 4.556 0.001 0.000 0.296 190 H C 2.172 177.557 175.328 0.096 0.000 1.095 190 H CA 1.285 57.382 56.048 0.082 0.000 1.281 190 H CB -0.720 29.021 29.762 -0.036 0.000 1.374 190 H HN 0.314 nan 8.280 nan 0.000 0.545 191 G N -0.350 108.530 108.800 0.133 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 0.891 175.773 174.900 -0.030 0.000 1.182 191 G CA -0.143 44.983 45.100 0.043 0.000 0.791 191 G HN 0.289 nan 8.290 nan 0.000 0.537 192 N N 0.475 119.165 118.700 -0.017 0.000 2.240 192 N HA 0.016 4.757 4.740 0.001 0.000 0.240 192 N C 1.012 176.540 175.510 0.030 0.000 1.277 192 N CA 0.713 53.743 53.050 -0.033 0.000 0.873 192 N CB 0.773 39.200 38.487 -0.100 0.000 1.222 192 N HN 0.304 nan 8.380 nan 0.000 0.507 193 S N 0.706 116.442 115.700 0.060 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 1.652 59.894 58.200 0.070 0.000 1.009 193 S CB -2.321 60.909 63.200 0.050 0.000 0.916 193 S HN 0.758 nan 8.310 nan 0.000 0.496 194 E N -1.563 118.674 120.200 0.063 0.000 3.067 194 E HA 0.427 4.778 4.350 0.001 0.000 0.188 194 E C 1.098 177.683 176.600 -0.025 0.000 0.964 194 E CA -0.202 56.222 56.400 0.040 0.000 1.286 194 E CB 0.016 29.760 29.700 0.073 0.000 1.051 194 E HN 0.400 nan 8.360 nan 0.000 0.465 195 G N 1.461 110.211 108.800 -0.083 0.000 2.744 195 G HA2 -0.184 3.777 3.960 0.001 0.000 0.211 195 G HA3 -0.184 3.777 3.960 0.001 0.000 0.211 195 G C 1.528 176.243 174.900 -0.309 0.000 1.143 195 G CA 0.636 45.501 45.100 -0.392 0.000 0.788 195 G HN 0.343 nan 8.290 nan 0.000 0.534 196 S N 0.120 115.771 115.700 -0.082 0.000 2.493 196 S HA -0.003 4.468 4.470 0.001 0.000 0.243 196 S C 2.001 176.576 174.600 -0.042 0.000 0.991 196 S CA 0.702 58.904 58.200 0.003 0.000 0.957 196 S CB -0.242 62.981 63.200 0.038 0.000 0.756 196 S HN 0.406 nan 8.310 nan 0.000 0.521 197 I N -0.033 120.461 120.570 -0.127 0.000 2.512 197 I HA 0.151 4.322 4.170 0.001 0.000 0.247 197 I C 2.208 178.211 176.117 -0.191 0.000 1.094 197 I CA 0.319 61.530 61.300 -0.149 0.000 1.427 197 I CB -0.319 37.558 38.000 -0.204 0.000 1.149 197 I HN 0.225 nan 8.210 nan 0.000 0.438 198 I N 1.296 121.658 120.570 -0.347 0.000 2.502 198 I HA -0.316 3.855 4.170 0.001 0.000 0.258 198 I C 2.393 178.454 176.117 -0.093 0.000 1.172 198 I CA 1.617 62.697 61.300 -0.367 0.000 1.430 198 I CB -0.327 37.330 38.000 -0.570 0.000 1.086 198 I HN 0.270 nan 8.210 nan 0.000 0.440 199 Q N 0.218 119.989 119.800 -0.049 0.000 1.994 199 Q HA -0.196 4.144 4.340 0.001 0.000 0.198 199 Q C 1.937 177.988 176.000 0.085 0.000 0.976 199 Q CA 1.974 57.841 55.803 0.108 0.000 0.828 199 Q CB -0.177 28.652 28.738 0.153 0.000 0.894 199 Q HN 0.455 nan 8.270 nan 0.000 0.432 200 D N 0.354 120.775 120.400 0.035 0.000 2.149 200 D HA -0.208 4.433 4.640 0.001 0.000 0.194 200 D C 1.922 178.242 176.300 0.033 0.000 1.001 200 D CA 1.666 55.679 54.000 0.022 0.000 0.849 200 D CB -0.176 40.624 40.800 0.001 0.000 0.939 200 D HN 0.406 nan 8.370 nan 0.000 0.449 201 I N 0.483 121.083 120.570 0.050 0.000 2.090 201 I HA -0.248 3.923 4.170 0.001 0.000 0.236 201 I C 2.531 178.718 176.117 0.116 0.000 1.064 201 I CA 0.456 61.807 61.300 0.086 0.000 1.324 201 I CB -0.425 37.662 38.000 0.146 0.000 1.044 201 I HN 0.003 nan 8.210 nan 0.000 0.399 202 L N 1.033 122.399 121.223 0.238 0.000 2.064 202 L HA -0.226 4.115 4.340 0.001 0.000 0.216 202 L C 2.340 179.251 176.870 0.068 0.000 1.077 202 L CA 1.990 56.948 54.840 0.196 0.000 0.766 202 L CB -0.697 41.562 42.059 0.335 0.000 0.890 202 L HN 0.037 nan 8.230 nan 0.000 0.435 203 V N -0.148 119.804 119.914 0.063 0.000 2.323 203 V HA -0.107 4.014 4.120 0.001 0.000 0.244 203 V C 2.628 178.717 176.094 -0.008 0.000 1.041 203 V CA 1.540 63.848 62.300 0.014 0.000 1.025 203 V CB -1.599 30.222 31.823 -0.004 0.000 0.656 203 V HN 0.623 nan 8.190 nan 0.000 0.451 204 G N -0.276 108.522 108.800 -0.003 0.000 2.586 204 G HA2 -0.342 3.619 3.960 0.001 0.000 0.218 204 G HA3 -0.342 3.619 3.960 0.001 0.000 0.218 204 G C 1.422 176.305 174.900 -0.029 0.000 1.216 204 G CA 1.355 46.445 45.100 -0.016 0.000 0.786 204 G HN 0.473 nan 8.290 nan 0.000 0.583 205 E N 0.091 120.273 120.200 -0.030 0.000 2.035 205 E HA -0.137 4.214 4.350 0.001 0.000 0.204 205 E C 2.806 179.377 176.600 -0.048 0.000 1.025 205 E CA 0.959 57.331 56.400 -0.047 0.000 0.835 205 E CB -0.198 29.460 29.700 -0.070 0.000 0.764 205 E HN 0.099 nan 8.360 nan 0.000 0.457 206 R N 0.247 120.723 120.500 -0.039 0.000 2.162 206 R HA -0.196 4.144 4.340 0.001 0.000 0.245 206 R C 2.584 178.849 176.300 -0.058 0.000 1.129 206 R CA 1.959 58.044 56.100 -0.025 0.000 0.940 206 R CB -1.681 28.612 30.300 -0.013 0.000 0.875 206 R HN 0.430 nan 8.270 nan 0.000 0.437 207 S N 0.749 116.412 115.700 -0.061 0.000 2.368 207 S HA -0.130 4.341 4.470 0.001 0.000 0.225 207 S C 1.873 176.408 174.600 -0.109 0.000 1.030 207 S CA 1.240 59.388 58.200 -0.087 0.000 0.999 207 S CB -0.208 62.952 63.200 -0.065 0.000 0.844 207 S HN 0.310 nan 8.310 nan 0.000 0.459 208 K N 1.220 121.568 120.400 -0.087 0.000 2.032 208 K HA -0.032 4.289 4.320 0.001 0.000 0.209 208 K C 2.162 178.688 176.600 -0.124 0.000 1.048 208 K CA 1.642 57.874 56.287 -0.092 0.000 0.927 208 K CB -0.619 31.840 32.500 -0.069 0.000 0.712 208 K HN 0.351 nan 8.250 nan 0.000 0.441 209 L N 0.771 121.920 121.223 -0.123 0.000 1.961 209 L HA -0.213 4.127 4.340 0.001 0.000 0.210 209 L C 2.369 179.079 176.870 -0.267 0.000 1.072 209 L CA 1.375 56.123 54.840 -0.153 0.000 0.749 209 L CB -0.574 41.424 42.059 -0.102 0.000 0.889 209 L HN 0.141 nan 8.230 nan 0.000 0.432 210 I N -0.852 119.523 120.570 -0.325 0.000 2.185 210 I HA -0.345 3.825 4.170 0.001 0.000 0.246 210 I C 2.504 178.284 176.117 -0.563 0.000 1.088 210 I CA 1.038 61.957 61.300 -0.635 0.000 1.347 210 I CB -0.535 37.118 38.000 -0.577 0.000 1.041 210 I HN 0.244 nan 8.210 nan 0.000 0.415 211 L N 1.008 122.034 121.223 -0.328 0.000 1.990 211 L HA -0.237 4.103 4.340 0.001 0.000 0.213 211 L C 2.554 179.291 176.870 -0.223 0.000 1.072 211 L CA 2.028 56.731 54.840 -0.228 0.000 0.755 211 L CB -1.054 40.919 42.059 -0.144 0.000 0.889 211 L HN 0.294 nan 8.230 nan 0.000 0.432 212 K N -1.261 119.005 120.400 -0.224 0.000 2.057 212 K HA -0.133 4.188 4.320 0.001 0.000 0.207 212 K C 1.329 177.778 176.600 -0.252 0.000 1.049 212 K CA 0.629 56.778 56.287 -0.230 0.000 0.931 212 K CB -0.095 32.295 32.500 -0.183 0.000 0.714 212 K HN 0.351 nan 8.250 nan 0.000 0.440 216 F N 1.120 121.080 119.950 0.017 0.000 2.234 216 F HA 0.111 4.639 4.527 0.001 0.000 0.296 216 F C 1.981 177.803 175.800 0.037 0.000 1.089 216 F CA 1.748 59.756 58.000 0.014 0.000 1.343 216 F CB -0.020 38.957 39.000 -0.037 0.000 1.040 216 F HN 0.167 nan 8.300 nan 0.000 0.498 217 L N -0.486 120.901 121.223 0.273 0.000 2.270 217 L HA -0.071 4.270 4.340 0.001 0.000 0.210 217 L C 2.298 179.397 176.870 0.381 0.000 1.104 217 L CA 0.728 55.733 54.840 0.275 0.000 0.804 217 L CB -0.669 41.586 42.059 0.327 0.000 0.937 217 L HN 0.160 nan 8.230 nan 0.000 0.450 218 E N 1.384 121.798 120.200 0.358 0.000 2.035 218 E HA -0.263 4.087 4.350 0.001 0.000 0.204 218 E C -0.511 176.157 176.600 0.112 0.000 1.025 218 E CA 2.163 58.648 56.400 0.142 0.000 0.835 218 E CB -0.785 28.964 29.700 0.082 0.000 0.764 218 E HN 0.236 nan 8.360 nan 0.000 0.457 219 P HA -0.183 nan 4.420 nan 0.000 0.218 219 P C 0.846 178.238 177.300 0.153 0.000 1.154 219 P CA 1.521 64.710 63.100 0.149 0.000 0.872 219 P CB -0.156 31.671 31.700 0.211 0.000 0.790 220 F N -0.724 119.246 119.950 0.035 0.000 2.407 220 F HA 0.056 4.584 4.527 0.001 0.000 0.299 220 F C 2.307 178.113 175.800 0.011 0.000 1.097 220 F CA 0.649 58.671 58.000 0.036 0.000 1.422 220 F CB -1.474 37.576 39.000 0.083 0.000 1.067 220 F HN -0.127 nan 8.300 nan 0.000 0.539 221 A N -0.214 122.709 122.820 0.172 0.000 2.225 221 A HA -0.096 4.225 4.320 0.001 0.000 0.215 221 A C 0.981 178.529 177.584 -0.059 0.000 1.164 221 A CA 0.609 52.665 52.037 0.032 0.000 0.710 221 A CB -0.733 18.162 19.000 -0.175 0.000 0.780 221 A HN 0.221 nan 8.150 nan 0.000 0.473 222 K N 0.464 120.817 120.400 -0.079 0.000 2.213 222 K HA 0.480 4.801 4.320 0.001 0.000 0.270 222 K C -0.254 176.246 176.600 -0.168 0.000 1.002 222 K CA -0.290 55.912 56.287 -0.142 0.000 0.868 222 K CB 1.825 34.241 32.500 -0.141 0.000 1.093 222 K HN 0.447 nan 8.250 nan 0.000 0.454 237 S N 0.616 116.408 115.700 0.153 0.000 2.437 237 S HA 0.804 5.275 4.470 0.001 0.000 0.305 237 S C 0.614 175.335 174.600 0.202 0.000 1.109 237 S CA -0.254 58.059 58.200 0.187 0.000 1.099 237 S CB 0.743 64.141 63.200 0.330 0.000 1.004 237 S HN 1.511 nan 8.310 nan 0.000 0.475 241 S N 0.480 116.320 115.700 0.233 0.000 2.387 241 S HA -0.132 4.339 4.470 0.001 0.000 0.230 241 S C 1.608 176.360 174.600 0.253 0.000 1.035 241 S CA 1.444 59.768 58.200 0.206 0.000 1.014 241 S CB -0.522 62.780 63.200 0.170 0.000 0.836 241 S HN 0.480 nan 8.310 nan 0.000 0.466 242 Y N 2.349 122.772 120.300 0.206 0.000 2.224 242 Y HA -0.186 4.364 4.550 0.001 0.000 0.289 242 Y C 2.518 178.613 175.900 0.325 0.000 1.146 242 Y CA 1.668 59.911 58.100 0.238 0.000 1.182 242 Y CB -0.598 37.978 38.460 0.194 0.000 0.983 242 Y HN 0.190 nan 8.280 nan 0.000 0.524 243 T N -0.598 114.220 114.554 0.440 0.000 2.735 243 T HA -0.139 4.212 4.350 0.001 0.000 0.256 243 T C 1.573 176.389 174.700 0.194 0.000 1.042 243 T CA 1.243 63.586 62.100 0.405 0.000 1.147 243 T CB -0.355 68.773 68.868 0.433 0.000 0.865 243 T HN 0.211 nan 8.240 nan 0.000 0.421 244 E N 1.737 122.039 120.200 0.170 0.000 2.136 244 E HA -0.245 4.106 4.350 0.001 0.000 0.208 244 E C 2.106 178.753 176.600 0.078 0.000 1.035 244 E CA 1.893 58.350 56.400 0.095 0.000 0.838 244 E CB -0.635 29.118 29.700 0.088 0.000 0.748 244 E HN 0.454 nan 8.360 nan 0.000 0.459 245 A N 0.019 122.928 122.820 0.147 0.000 1.877 245 A HA -0.149 4.172 4.320 0.001 0.000 0.216 245 A C 2.266 180.052 177.584 0.337 0.000 1.186 245 A CA 1.634 53.829 52.037 0.264 0.000 0.620 245 A CB -0.913 18.267 19.000 0.300 0.000 0.822 245 A HN 0.391 nan 8.150 nan 0.000 0.443 246 L N 0.020 121.373 121.223 0.217 0.000 2.012 246 L HA -0.159 4.182 4.340 0.001 0.000 0.210 246 L C 2.315 179.280 176.870 0.158 0.000 1.073 246 L CA 1.779 56.736 54.840 0.195 0.000 0.748 246 L CB -0.525 41.551 42.059 0.029 0.000 0.891 246 L HN 0.437 nan 8.230 nan 0.000 0.431 247 L N -0.615 120.649 121.223 0.068 0.000 1.956 247 L HA -0.177 4.163 4.340 0.001 0.000 0.216 247 L C 2.638 179.524 176.870 0.027 0.000 1.073 247 L CA 1.604 56.456 54.840 0.020 0.000 0.762 247 L CB -1.883 40.173 42.059 -0.005 0.000 0.889 247 L HN 0.456 nan 8.230 nan 0.000 0.433 248 G N -0.135 108.636 108.800 -0.047 0.000 2.599 248 G HA2 -0.328 3.632 3.960 0.001 0.000 0.219 248 G HA3 -0.328 3.632 3.960 0.001 0.000 0.219 248 G C 1.464 176.360 174.900 -0.007 0.000 1.193 248 G CA 1.268 46.237 45.100 -0.218 0.000 0.778 248 G HN 0.236 nan 8.290 nan 0.000 0.589 249 F N 0.742 120.872 119.950 0.301 0.000 2.095 249 F HA -0.074 4.454 4.527 0.001 0.000 0.298 249 F C 2.760 178.653 175.800 0.155 0.000 1.104 249 F CA 1.042 59.228 58.000 0.310 0.000 1.232 249 F CB -0.220 38.907 39.000 0.211 0.000 0.987 249 F HN 0.073 nan 8.300 nan 0.000 0.475 250 I N -0.270 120.464 120.570 0.272 0.000 2.335 250 I HA -0.358 3.813 4.170 0.001 0.000 0.251 250 I C 2.568 178.759 176.117 0.123 0.000 1.129 250 I CA 1.020 62.407 61.300 0.145 0.000 1.402 250 I CB -0.813 37.225 38.000 0.063 0.000 1.069 250 I HN 0.149 nan 8.210 nan 0.000 0.424 251 A N 1.536 124.418 122.820 0.104 0.000 1.825 251 A HA -0.232 4.089 4.320 0.001 0.000 0.214 251 A C 2.017 179.673 177.584 0.121 0.000 1.206 251 A CA 2.269 54.347 52.037 0.069 0.000 0.609 251 A CB -0.995 18.008 19.000 0.005 0.000 0.851 251 A HN 0.400 nan 8.150 nan 0.000 0.445 252 N N 0.286 119.094 118.700 0.179 0.000 2.192 252 N HA -0.155 4.586 4.740 0.001 0.000 0.188 252 N C 1.536 177.250 175.510 0.340 0.000 1.013 252 N CA 1.511 54.742 53.050 0.302 0.000 0.863 252 N CB -0.178 38.571 38.487 0.437 0.000 0.990 252 N HN 0.471 nan 8.380 nan 0.000 0.430 253 E N 0.713 121.072 120.200 0.265 0.000 2.072 253 E HA -0.146 4.205 4.350 0.001 0.000 0.191 253 E C 1.788 178.476 176.600 0.147 0.000 0.985 253 E CA 0.730 57.249 56.400 0.199 0.000 0.801 253 E CB -0.202 29.590 29.700 0.153 0.000 0.750 253 E HN 0.475 nan 8.360 nan 0.000 0.452 254 K N 0.950 121.424 120.400 0.122 0.000 1.978 254 K HA -0.142 4.179 4.320 0.001 0.000 0.214 254 K C 2.263 178.931 176.600 0.114 0.000 1.049 254 K CA 1.846 58.186 56.287 0.088 0.000 0.939 254 K CB -0.077 32.462 32.500 0.065 0.000 0.721 254 K HN -0.064 nan 8.250 nan 0.000 0.441 255 S N 1.646 117.426 115.700 0.133 0.000 2.414 255 S HA -0.255 4.216 4.470 0.001 0.000 0.238 255 S C 1.852 176.593 174.600 0.236 0.000 1.055 255 S CA 1.790 60.082 58.200 0.153 0.000 1.174 255 S CB -0.787 62.484 63.200 0.119 0.000 1.087 255 S HN 0.402 nan 8.310 nan 0.000 0.428 256 L N 1.950 123.377 121.223 0.340 0.000 2.051 256 L HA -0.128 4.212 4.340 0.001 0.000 0.214 256 L C 2.234 179.203 176.870 0.166 0.000 1.076 256 L CA 1.648 56.644 54.840 0.260 0.000 0.758 256 L CB -0.819 41.323 42.059 0.139 0.000 0.890 256 L HN 0.219 nan 8.230 nan 0.000 0.433 257 V N -0.433 119.561 119.914 0.134 0.000 2.427 257 V HA -0.271 3.850 4.120 0.001 0.000 0.248 257 V C 2.126 178.319 176.094 0.164 0.000 1.051 257 V CA 1.958 64.319 62.300 0.102 0.000 1.048 257 V CB -0.757 31.059 31.823 -0.011 0.000 0.666 257 V HN 0.464 nan 8.190 nan 0.000 0.456 258 D N -0.011 120.475 120.400 0.144 0.000 2.110 258 D HA -0.115 4.525 4.640 0.001 0.000 0.202 258 D C 1.848 178.258 176.300 0.183 0.000 0.975 258 D CA 1.192 55.283 54.000 0.153 0.000 0.839 258 D CB -0.332 40.533 40.800 0.107 0.000 0.996 258 D HN 0.390 nan 8.370 nan 0.000 0.464 259 D N -0.343 120.164 120.400 0.179 0.000 2.265 259 D HA -0.098 4.543 4.640 0.001 0.000 0.208 259 D C 1.723 178.120 176.300 0.161 0.000 0.977 259 D CA 0.614 54.718 54.000 0.173 0.000 0.871 259 D CB 0.050 40.985 40.800 0.225 0.000 0.925 259 D HN 0.206 nan 8.370 nan 0.000 0.485 260 L N -1.298 120.041 121.223 0.195 0.000 2.298 260 L HA 0.002 4.342 4.340 0.001 0.000 0.209 260 L C 0.608 177.530 176.870 0.087 0.000 1.084 260 L CA 0.510 55.442 54.840 0.153 0.000 0.816 260 L CB 0.161 42.346 42.059 0.211 0.000 0.967 260 L HN 0.058 nan 8.230 nan 0.000 0.460 261 Y N -0.706 119.631 120.300 0.063 0.000 2.801 261 Y HA 0.082 4.633 4.550 0.001 0.000 0.318 261 Y C 1.996 177.964 175.900 0.113 0.000 1.073 261 Y CA -0.563 57.586 58.100 0.080 0.000 1.360 261 Y CB -0.292 38.208 38.460 0.067 0.000 1.220 261 Y HN 0.080 nan 8.280 nan 0.000 0.536 262 S N -1.484 114.328 115.700 0.186 0.000 2.584 262 S HA -0.115 4.355 4.470 0.001 0.000 0.240 262 S C 1.421 176.094 174.600 0.121 0.000 0.975 262 S CA 0.768 59.050 58.200 0.136 0.000 0.949 262 S CB 0.059 63.319 63.200 0.100 0.000 0.761 262 S HN 0.444 nan 8.310 nan 0.000 0.536 263 Q N -0.506 119.401 119.800 0.179 0.000 2.422 263 Q HA 0.221 4.561 4.340 0.001 0.000 0.255 263 Q C -0.460 175.615 176.000 0.125 0.000 0.864 263 Q CA 0.557 56.450 55.803 0.150 0.000 0.968 263 Q CB 0.346 29.218 28.738 0.223 0.000 1.130 263 Q HN 0.713 nan 8.270 nan 0.000 0.556 264 Y N 1.049 121.377 120.300 0.046 0.000 2.806 264 Y HA 0.248 4.799 4.550 0.001 0.000 0.364 264 Y C 0.144 176.133 175.900 0.147 0.000 1.101 264 Y CA -0.510 57.646 58.100 0.094 0.000 1.256 264 Y CB 0.450 38.983 38.460 0.122 0.000 1.363 264 Y HN -0.209 nan 8.280 nan 0.000 0.592 265 T N 0.761 115.419 114.554 0.173 0.000 4.492 265 T HA 0.057 4.408 4.350 0.001 0.000 0.222 265 T C 0.852 175.599 174.700 0.079 0.000 0.836 265 T CA 0.510 62.680 62.100 0.116 0.000 0.900 265 T CB -0.405 68.504 68.868 0.068 0.000 1.399 265 T HN 0.620 nan 8.240 nan 0.000 0.877 266 E N -0.100 120.164 120.200 0.108 0.000 2.555 266 E HA 0.045 4.396 4.350 0.001 0.000 0.209 266 E C 1.540 178.177 176.600 0.061 0.000 0.847 266 E CA -0.020 56.421 56.400 0.069 0.000 1.438 266 E CB 0.660 30.399 29.700 0.064 0.000 1.420 266 E HN 0.458 nan 8.360 nan 0.000 0.755 267 S N 0.071 115.814 115.700 0.072 0.000 2.730 267 S HA 0.269 4.739 4.470 0.001 0.000 0.244 267 S C 1.207 175.746 174.600 -0.101 0.000 1.022 267 S CA -0.491 57.723 58.200 0.024 0.000 1.014 267 S CB 0.272 63.520 63.200 0.078 0.000 0.963 267 S HN -0.035 nan 8.310 nan 0.000 0.540 268 K N 2.131 122.452 120.400 -0.132 0.000 2.059 268 K HA -0.105 4.215 4.320 0.001 0.000 0.212 268 K C -1.046 175.482 176.600 -0.120 0.000 1.050 268 K CA 2.086 58.250 56.287 -0.204 0.000 0.927 268 K CB -1.307 31.149 32.500 -0.073 0.000 0.714 268 K HN 0.364 nan 8.250 nan 0.000 0.447 269 P HA -0.164 nan 4.420 nan 0.000 0.213 269 P C 1.100 178.422 177.300 0.036 0.000 1.170 269 P CA 1.316 64.422 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 -0.518 118.526 119.070 -0.045 0.000 2.353 270 H HA -0.129 4.428 4.556 0.001 0.000 0.298 270 H C 1.777 177.080 175.328 -0.042 0.000 1.103 270 H CA 1.472 57.503 56.048 -0.029 0.000 1.293 270 H CB -0.927 28.827 29.762 -0.014 0.000 1.372 270 H HN -0.196 nan 8.280 nan 0.000 0.501 271 V N -0.072 119.796 119.914 -0.077 0.000 2.223 271 V HA -0.227 3.894 4.120 0.001 0.000 0.244 271 V C 2.527 178.548 176.094 -0.121 0.000 1.045 271 V CA 1.828 64.042 62.300 -0.144 0.000 1.000 271 V CB -0.696 30.963 31.823 -0.272 0.000 0.635 271 V HN 0.377 nan 8.190 nan 0.000 0.445 272 L N -0.007 121.156 121.223 -0.100 0.000 2.261 272 L HA -0.131 4.210 4.340 0.001 0.000 0.216 272 L C 2.579 179.420 176.870 -0.047 0.000 1.114 272 L CA 2.183 56.991 54.840 -0.053 0.000 0.777 272 L CB -0.687 41.354 42.059 -0.031 0.000 0.910 272 L HN 0.403 nan 8.230 nan 0.000 0.440 273 S N -1.113 114.547 115.700 -0.066 0.000 2.345 273 S HA -0.223 4.248 4.470 0.001 0.000 0.220 273 S C 1.898 176.448 174.600 -0.084 0.000 1.031 273 S CA 1.420 59.585 58.200 -0.060 0.000 0.996 273 S CB -0.160 63.004 63.200 -0.061 0.000 0.882 273 S HN 0.669 nan 8.310 nan 0.000 0.445 274 Q N 0.012 119.728 119.800 -0.140 0.000 2.224 274 Q HA 0.025 4.365 4.340 0.001 0.000 0.203 274 Q C 2.106 178.063 176.000 -0.072 0.000 0.970 274 Q CA 1.297 57.027 55.803 -0.121 0.000 0.865 274 Q CB -0.199 28.442 28.738 -0.162 0.000 0.922 274 Q HN 0.625 nan 8.270 nan 0.000 0.445 275 I N -0.032 120.502 120.570 -0.060 0.000 2.235 275 I HA -0.211 3.960 4.170 0.001 0.000 0.241 275 I C 1.919 178.014 176.117 -0.036 0.000 1.085 275 I CA 0.633 61.909 61.300 -0.040 0.000 1.378 275 I CB -0.163 37.824 38.000 -0.022 0.000 1.076 275 I HN 0.195 nan 8.210 nan 0.000 0.415 276 L N 0.184 121.390 121.223 -0.028 0.000 2.093 276 L HA -0.141 4.199 4.340 0.001 0.000 0.208 276 L C 2.713 179.563 176.870 -0.033 0.000 1.085 276 L CA 1.418 56.243 54.840 -0.025 0.000 0.755 276 L CB -1.483 40.565 42.059 -0.019 0.000 0.904 276 L HN 0.257 nan 8.230 nan 0.000 0.435 277 S N 0.486 116.165 115.700 -0.034 0.000 2.401 277 S HA -0.167 4.303 4.470 0.001 0.000 0.236 277 S C -0.081 174.506 174.600 -0.022 0.000 1.058 277 S CA 2.540 60.722 58.200 -0.029 0.000 1.151 277 S CB -0.997 62.184 63.200 -0.032 0.000 1.049 277 S HN 0.296 nan 8.310 nan 0.000 0.432 278 P HA -0.043 nan 4.420 nan 0.000 0.217 278 P C 1.672 178.971 177.300 -0.002 0.000 1.151 278 P CA 1.015 64.106 63.100 -0.014 0.000 0.828 278 P CB -0.286 31.398 31.700 -0.027 0.000 0.788 279 L N -0.668 120.545 121.223 -0.017 0.000 2.051 279 L HA -0.211 4.129 4.340 0.001 0.000 0.214 279 L C 2.838 179.745 176.870 0.061 0.000 1.076 279 L CA 1.665 56.502 54.840 -0.006 0.000 0.758 279 L CB -0.958 41.080 42.059 -0.036 0.000 0.890 279 L HN -0.113 nan 8.230 nan 0.000 0.433 280 I N -1.458 119.129 120.570 0.029 0.000 2.202 280 I HA -0.267 3.904 4.170 0.001 0.000 0.242 280 I C 2.807 178.985 176.117 0.102 0.000 1.091 280 I CA 1.163 62.490 61.300 0.045 0.000 1.368 280 I CB -0.396 37.572 38.000 -0.054 0.000 1.058 280 I HN 0.164 nan 8.210 nan 0.000 0.410 281 S N 0.538 116.271 115.700 0.055 0.000 2.387 281 S HA -0.249 4.222 4.470 0.001 0.000 0.230 281 S C 2.177 176.831 174.600 0.089 0.000 1.035 281 S CA 1.632 59.865 58.200 0.055 0.000 1.014 281 S CB -0.235 62.982 63.200 0.028 0.000 0.836 281 S HN 0.503 nan 8.310 nan 0.000 0.466 282 A N -0.101 122.788 122.820 0.114 0.000 1.873 282 A HA -0.067 4.254 4.320 0.001 0.000 0.215 282 A C 1.967 179.676 177.584 0.209 0.000 1.186 282 A CA 1.675 53.796 52.037 0.140 0.000 0.616 282 A CB -1.268 17.831 19.000 0.164 0.000 0.823 282 A HN 0.702 nan 8.150 nan 0.000 0.442 283 Y N 0.691 121.106 120.300 0.192 0.000 2.114 283 Y HA -0.225 4.325 4.550 0.001 0.000 0.282 283 Y C 2.720 178.726 175.900 0.178 0.000 1.165 283 Y CA 1.700 59.962 58.100 0.270 0.000 1.148 283 Y CB -0.477 38.123 38.460 0.233 0.000 0.972 283 Y HN 0.336 nan 8.280 nan 0.000 0.504 284 A N 0.513 123.486 122.820 0.255 0.000 1.892 284 A HA -0.228 4.092 4.320 0.001 0.000 0.218 284 A C 2.254 179.906 177.584 0.113 0.000 1.188 284 A CA 2.076 54.204 52.037 0.152 0.000 0.631 284 A CB -0.562 18.490 19.000 0.088 0.000 0.822 284 A HN 0.364 nan 8.150 nan 0.000 0.447 285 K N -0.609 119.829 120.400 0.064 0.000 1.978 285 K HA -0.147 4.174 4.320 0.001 0.000 0.214 285 K C 1.980 178.566 176.600 -0.023 0.000 1.049 285 K CA 1.436 57.735 56.287 0.020 0.000 0.939 285 K CB -1.256 31.245 32.500 0.003 0.000 0.721 285 K HN 0.454 nan 8.250 nan 0.000 0.441 286 L N 0.943 122.113 121.223 -0.089 0.000 2.021 286 L HA -0.202 4.139 4.340 0.001 0.000 0.215 286 L C 2.266 179.022 176.870 -0.189 0.000 1.074 286 L CA 1.668 56.381 54.840 -0.212 0.000 0.760 286 L CB -0.929 40.864 42.059 -0.443 0.000 0.889 286 L HN 0.153 nan 8.230 nan 0.000 0.433 287 F N 0.437 120.206 119.950 -0.303 0.000 2.026 287 F HA -0.131 4.396 4.527 0.001 0.000 0.296 287 F C 2.320 178.049 175.800 -0.119 0.000 1.133 287 F CA 2.312 60.166 58.000 -0.244 0.000 1.188 287 F CB -1.045 37.825 39.000 -0.217 0.000 0.968 287 F HN 0.181 nan 8.300 nan 0.000 0.476 288 G N -0.424 108.515 108.800 0.231 0.000 2.469 288 G HA2 -0.324 3.637 3.960 0.001 0.000 0.220 288 G HA3 -0.324 3.637 3.960 0.001 0.000 0.220 288 G C 1.775 176.658 174.900 -0.028 0.000 1.136 288 G CA 1.035 46.212 45.100 0.129 0.000 0.759 288 G HN 0.683 nan 8.290 nan 0.000 0.562 289 A N 1.223 124.004 122.820 -0.064 0.000 1.892 289 A HA -0.174 4.147 4.320 0.001 0.000 0.218 289 A C 2.295 179.794 177.584 -0.142 0.000 1.188 289 A CA 1.921 53.897 52.037 -0.102 0.000 0.631 289 A CB -0.550 18.381 19.000 -0.116 0.000 0.822 289 A HN 0.440 nan 8.150 nan 0.000 0.447 290 N N -0.190 118.398 118.700 -0.186 0.000 2.084 290 N HA -0.104 4.636 4.740 0.001 0.000 0.190 290 N C 1.826 177.241 175.510 -0.158 0.000 1.030 290 N CA 1.439 54.386 53.050 -0.172 0.000 0.849 290 N CB -0.357 38.045 38.487 -0.143 0.000 1.012 290 N HN 0.473 nan 8.380 nan 0.000 0.423 291 L N 1.750 122.850 121.223 -0.204 0.000 2.013 291 L HA -0.203 4.138 4.340 0.001 0.000 0.212 291 L C 2.550 179.363 176.870 -0.094 0.000 1.073 291 L CA 1.299 56.056 54.840 -0.138 0.000 0.753 291 L CB -0.277 41.729 42.059 -0.088 0.000 0.890 291 L HN 0.127 nan 8.230 nan 0.000 0.432 292 K N 0.057 120.404 120.400 -0.089 0.000 2.074 292 K HA -0.206 4.114 4.320 0.001 0.000 0.209 292 K C 1.959 178.491 176.600 -0.112 0.000 1.048 292 K CA 1.671 57.910 56.287 -0.080 0.000 0.926 292 K CB -0.387 32.068 32.500 -0.076 0.000 0.713 292 K HN 0.382 nan 8.250 nan 0.000 0.444 293 I N 0.683 121.154 120.570 -0.165 0.000 2.546 293 I HA -0.209 3.962 4.170 0.001 0.000 0.255 293 I C 2.078 178.034 176.117 -0.267 0.000 1.163 293 I CA 0.617 61.760 61.300 -0.261 0.000 1.457 293 I CB -0.005 37.767 38.000 -0.380 0.000 1.092 293 I HN -0.118 nan 8.210 nan 0.000 0.434 294 V N 0.424 120.245 119.914 -0.155 0.000 2.446 294 V HA -0.139 3.981 4.120 0.001 0.000 0.244 294 V C 2.399 178.477 176.094 -0.027 0.000 1.039 294 V CA 1.297 63.566 62.300 -0.051 0.000 1.045 294 V CB -0.748 31.080 31.823 0.009 0.000 0.681 294 V HN 0.327 nan 8.190 nan 0.000 0.459 295 R N 0.559 121.031 120.500 -0.046 0.000 2.127 295 R HA -0.134 4.206 4.340 0.001 0.000 0.238 295 R C 2.502 178.793 176.300 -0.016 0.000 1.134 295 R CA 1.665 57.747 56.100 -0.030 0.000 0.975 295 R CB -0.481 29.803 30.300 -0.027 0.000 0.865 295 R HN 0.534 nan 8.270 nan 0.000 0.447 296 S N 1.228 116.912 115.700 -0.027 0.000 2.380 296 S HA -0.168 4.303 4.470 0.001 0.000 0.213 296 S C 0.979 175.601 174.600 0.036 0.000 1.037 296 S CA 1.038 59.232 58.200 -0.011 0.000 1.034 296 S CB -0.379 62.795 63.200 -0.045 0.000 1.022 296 S HN 0.279 nan 8.310 nan 0.000 0.418 297 N N 1.194 119.952 118.700 0.097 0.000 2.767 297 N HA 0.281 5.022 4.740 0.001 0.000 0.238 297 N C 0.398 176.023 175.510 0.191 0.000 1.083 297 N CA -0.026 53.133 53.050 0.182 0.000 0.964 297 N CB -0.088 38.601 38.487 0.337 0.000 1.252 297 N HN 0.214 nan 8.380 nan 0.000 0.512 298 L N 1.240 122.508 121.223 0.075 0.000 2.275 298 L HA -0.053 4.288 4.340 0.001 0.000 0.215 298 L C 1.893 178.764 176.870 0.003 0.000 1.119 298 L CA 0.867 55.717 54.840 0.016 0.000 0.790 298 L CB -0.088 41.953 42.059 -0.030 0.000 0.919 298 L HN 0.624 nan 8.230 nan 0.000 0.443 299 E N -0.054 120.155 120.200 0.015 0.000 2.085 299 E HA -0.219 4.132 4.350 0.001 0.000 0.194 299 E C 1.489 178.069 176.600 -0.034 0.000 0.994 299 E CA 1.246 57.647 56.400 0.001 0.000 0.801 299 E CB 0.077 29.773 29.700 -0.007 0.000 0.743 299 E HN 0.556 nan 8.360 nan 0.000 0.453 300 N N -0.945 117.676 118.700 -0.133 0.000 2.564 300 N HA 0.036 4.777 4.740 0.001 0.000 0.202 300 N C 1.263 176.558 175.510 -0.358 0.000 1.052 300 N CA 0.362 53.217 53.050 -0.326 0.000 0.872 300 N CB 0.183 38.304 38.487 -0.610 0.000 1.303 300 N HN 0.064 nan 8.380 nan 0.000 0.440 301 F N 1.219 121.161 119.950 -0.013 0.000 2.765 301 F HA 0.300 4.828 4.527 0.001 0.000 0.302 301 F C 2.274 178.068 175.800 -0.010 0.000 1.111 301 F CA -0.158 57.832 58.000 -0.017 0.000 1.359 301 F CB -0.435 38.531 39.000 -0.057 0.000 1.097 301 F HN -0.020 nan 8.300 nan 0.000 0.577 302 G N 1.140 109.976 108.800 0.060 0.000 2.599 302 G HA2 -0.337 3.624 3.960 0.001 0.000 0.219 302 G HA3 -0.337 3.624 3.960 0.001 0.000 0.219 302 G C 1.378 176.005 174.900 -0.455 0.000 1.193 302 G CA 1.148 46.124 45.100 -0.207 0.000 0.778 302 G HN 0.316 nan 8.290 nan 0.000 0.589 303 F N -0.192 119.509 119.950 -0.414 0.000 2.546 303 F HA 0.156 4.684 4.527 0.001 0.000 0.298 303 F C 1.983 177.495 175.800 -0.479 0.000 1.120 303 F CA -0.031 57.559 58.000 -0.683 0.000 1.456 303 F CB -0.486 38.171 39.000 -0.572 0.000 1.088 303 F HN 0.145 nan 8.300 nan 0.000 0.572 304 F N 1.395 121.233 119.950 -0.187 0.000 2.269 304 F HA -0.196 4.332 4.527 0.001 0.000 0.301 304 F C 2.540 178.248 175.800 -0.154 0.000 1.082 304 F CA 0.988 58.930 58.000 -0.096 0.000 1.360 304 F CB -0.816 38.176 39.000 -0.013 0.000 1.041 304 F HN 0.004 nan 8.300 nan 0.000 0.512 305 S N -0.136 115.344 115.700 -0.366 0.000 2.400 305 S HA -0.284 4.187 4.470 0.001 0.000 0.232 305 S C 2.150 176.602 174.600 -0.247 0.000 1.025 305 S CA 1.498 59.467 58.200 -0.386 0.000 0.993 305 S CB -1.675 61.298 63.200 -0.378 0.000 0.808 305 S HN 0.500 nan 8.310 nan 0.000 0.478 306 F N 2.171 121.996 119.950 -0.208 0.000 2.134 306 F HA -0.067 4.461 4.527 0.001 0.000 0.299 306 F C 2.882 178.632 175.800 -0.084 0.000 1.097 306 F CA 1.132 59.061 58.000 -0.119 0.000 1.264 306 F CB -0.282 38.617 39.000 -0.168 0.000 1.001 306 F HN 0.279 nan 8.300 nan 0.000 0.479 307 E N 0.459 120.662 120.200 0.005 0.000 2.152 307 E HA -0.151 4.200 4.350 0.001 0.000 0.192 307 E C 2.249 178.721 176.600 -0.214 0.000 0.983 307 E CA 0.685 57.050 56.400 -0.059 0.000 0.818 307 E CB -0.178 29.481 29.700 -0.068 0.000 0.758 307 E HN 0.467 nan 8.360 nan 0.000 0.467 308 L N 0.696 121.632 121.223 -0.479 0.000 2.131 308 L HA -0.173 4.168 4.340 0.001 0.000 0.210 308 L C 2.372 179.303 176.870 0.103 0.000 1.092 308 L CA 0.665 55.281 54.840 -0.373 0.000 0.759 308 L CB -0.262 41.454 42.059 -0.572 0.000 0.903 308 L HN 0.054 nan 8.230 nan 0.000 0.435 309 V N -0.348 119.624 119.914 0.096 0.000 2.229 309 V HA -0.297 3.824 4.120 0.001 0.000 0.243 309 V C 2.380 178.572 176.094 0.163 0.000 1.042 309 V CA 1.934 64.338 62.300 0.173 0.000 1.000 309 V CB -0.524 31.397 31.823 0.164 0.000 0.637 309 V HN 0.460 nan 8.190 nan 0.000 0.446 310 E N 0.023 120.308 120.200 0.141 0.000 2.136 310 E HA -0.332 4.019 4.350 0.001 0.000 0.202 310 E C 2.401 179.092 176.600 0.151 0.000 1.019 310 E CA 1.946 58.426 56.400 0.133 0.000 0.819 310 E CB -0.242 29.539 29.700 0.136 0.000 0.739 310 E HN 0.518 nan 8.360 nan 0.000 0.458 311 S N -0.100 115.715 115.700 0.193 0.000 2.343 311 S HA -0.194 4.277 4.470 0.001 0.000 0.219 311 S C 2.010 176.793 174.600 0.305 0.000 1.033 311 S CA 1.345 59.716 58.200 0.284 0.000 1.014 311 S CB -0.362 63.054 63.200 0.360 0.000 0.915 311 S HN 0.393 nan 8.310 nan 0.000 0.435 312 I N 2.744 123.517 120.570 0.339 0.000 2.286 312 I HA -0.139 4.032 4.170 0.001 0.000 0.248 312 I C 1.865 178.004 176.117 0.037 0.000 1.115 312 I CA 1.555 62.940 61.300 0.141 0.000 1.392 312 I CB -0.705 37.270 38.000 -0.042 0.000 1.065 312 I HN 0.288 nan 8.210 nan 0.000 0.418 313 N N 0.921 119.665 118.700 0.074 0.000 2.058 313 N HA -0.186 4.555 4.740 0.001 0.000 0.191 313 N C 1.611 177.139 175.510 0.029 0.000 1.037 313 N CA 1.785 54.864 53.050 0.048 0.000 0.848 313 N CB -0.622 37.904 38.487 0.065 0.000 1.021 313 N HN 0.439 nan 8.380 nan 0.000 0.422 314 D N 0.784 121.211 120.400 0.046 0.000 2.133 314 D HA -0.114 4.527 4.640 0.001 0.000 0.195 314 D C 1.991 178.276 176.300 -0.024 0.000 0.997 314 D CA 0.805 54.821 54.000 0.027 0.000 0.840 314 D CB -0.038 40.795 40.800 0.055 0.000 0.947 314 D HN 0.030 nan 8.370 nan 0.000 0.452 315 V N 1.100 120.970 119.914 -0.073 0.000 2.343 315 V HA -0.219 3.901 4.120 0.001 0.000 0.247 315 V C 2.307 178.307 176.094 -0.157 0.000 1.051 315 V CA 1.550 63.729 62.300 -0.202 0.000 1.036 315 V CB -0.296 31.254 31.823 -0.454 0.000 0.654 315 V HN 0.153 nan 8.190 nan 0.000 0.451 316 K N 0.029 120.368 120.400 -0.102 0.000 2.217 316 K HA -0.134 4.187 4.320 0.001 0.000 0.202 316 K C 2.191 178.798 176.600 0.012 0.000 1.051 316 K CA 0.929 57.188 56.287 -0.047 0.000 0.952 316 K CB -0.111 32.395 32.500 0.010 0.000 0.736 316 K HN 0.347 nan 8.250 nan 0.000 0.453 317 K N 0.584 120.987 120.400 0.005 0.000 2.296 317 K HA -0.041 4.279 4.320 0.001 0.000 0.200 317 K C 2.065 178.670 176.600 0.009 0.000 1.048 317 K CA 0.942 57.240 56.287 0.018 0.000 0.966 317 K CB 0.132 32.643 32.500 0.018 0.000 0.754 317 K HN -0.059 nan 8.250 nan 0.000 0.466 318 S N 0.123 115.816 115.700 -0.012 0.000 2.406 318 S HA 0.007 4.477 4.470 0.001 0.000 0.224 318 S C 1.655 176.252 174.600 -0.004 0.000 1.030 318 S CA 0.293 58.484 58.200 -0.014 0.000 0.958 318 S CB 0.016 63.195 63.200 -0.035 0.000 0.811 318 S HN 0.220 nan 8.310 nan 0.000 0.489 319 L N 2.041 123.256 121.223 -0.013 0.000 2.217 319 L HA 0.272 4.612 4.340 0.001 0.000 0.211 319 L C 1.428 178.344 176.870 0.077 0.000 1.107 319 L CA 0.795 55.644 54.840 0.015 0.000 0.783 319 L CB -1.303 40.734 42.059 -0.037 0.000 0.919 319 L HN 0.311 nan 8.230 nan 0.000 0.442 320 R N 0.008 120.558 120.500 0.083 0.000 2.560 320 R HA 0.037 4.378 4.340 0.001 0.000 0.296 320 R C 1.233 177.569 176.300 0.060 0.000 0.873 320 R CA 1.088 57.237 56.100 0.082 0.000 1.140 320 R CB -0.217 30.115 30.300 0.054 0.000 0.875 320 R HN 0.494 nan 8.270 nan 0.000 0.419 321 G N 3.513 112.347 108.800 0.057 0.000 3.211 321 G HA2 -0.297 3.664 3.960 0.001 0.000 0.206 321 G HA3 -0.297 3.664 3.960 0.001 0.000 0.206 321 G C -0.530 174.396 174.900 0.044 0.000 1.418 321 G CA 0.087 45.210 45.100 0.038 0.000 0.958 321 G HN 0.572 nan 8.290 nan 0.000 0.567 322 K N 2.830 123.262 120.400 0.053 0.000 2.355 322 K HA 0.468 4.789 4.320 0.001 0.000 0.270 322 K C 0.729 177.375 176.600 0.075 0.000 1.003 322 K CA 0.460 56.778 56.287 0.052 0.000 0.957 322 K CB 0.580 33.105 32.500 0.043 0.000 0.939 322 K HN 0.807 nan 8.250 nan 0.000 0.482 323 E N 2.436 122.675 120.200 0.064 0.000 2.343 323 E HA 0.263 4.614 4.350 0.001 0.000 0.269 323 E C -0.779 175.876 176.600 0.093 0.000 1.047 323 E CA -0.519 55.928 56.400 0.080 0.000 0.874 323 E CB 0.685 30.426 29.700 0.067 0.000 1.033 323 E HN 0.316 nan 8.360 nan 0.000 0.409 324 L N 2.919 124.219 121.223 0.129 0.000 2.457 324 L HA 0.090 4.431 4.340 0.001 0.000 0.266 324 L C 1.131 178.064 176.870 0.104 0.000 0.979 324 L CA -0.612 54.294 54.840 0.110 0.000 0.857 324 L CB 1.721 43.860 42.059 0.133 0.000 1.213 324 L HN 0.736 nan 8.230 nan 0.000 0.418 325 Q N 0.724 120.562 119.800 0.063 0.000 2.449 325 Q HA -0.173 4.168 4.340 0.001 0.000 0.214 325 Q C 0.427 176.463 176.000 0.061 0.000 0.986 325 Q CA 1.369 57.208 55.803 0.059 0.000 0.893 325 Q CB 0.009 28.768 28.738 0.035 0.000 0.940 325 Q HN 0.537 nan 8.270 nan 0.000 0.477 326 N N -0.826 117.910 118.700 0.060 0.000 2.727 326 N HA 0.071 4.812 4.740 0.001 0.000 0.252 326 N C -1.511 174.034 175.510 0.058 0.000 1.283 326 N CA -0.384 52.697 53.050 0.051 0.000 0.782 326 N CB 0.609 39.106 38.487 0.016 0.000 1.199 326 N HN 0.265 nan 8.380 nan 0.000 0.520 327 Y N 2.929 123.228 120.300 -0.002 0.000 2.539 327 Y HA 0.084 4.635 4.550 0.001 0.000 0.284 327 Y C 2.017 177.911 175.900 -0.011 0.000 1.134 327 Y CA 0.411 58.506 58.100 -0.009 0.000 1.251 327 Y CB 0.211 38.666 38.460 -0.008 0.000 1.260 327 Y HN 0.410 nan 8.280 nan 0.000 0.528 328 N N 1.412 120.268 118.700 0.260 0.000 2.187 328 N HA -0.272 4.469 4.740 0.001 0.000 0.194 328 N C 1.501 177.068 175.510 0.094 0.000 1.002 328 N CA 1.980 55.129 53.050 0.164 0.000 0.882 328 N CB -1.081 37.462 38.487 0.093 0.000 1.003 328 N HN 0.467 nan 8.380 nan 0.000 0.443 329 L N -0.117 121.132 121.223 0.044 0.000 2.265 329 L HA -0.022 4.318 4.340 0.001 0.000 0.215 329 L C 2.366 179.208 176.870 -0.047 0.000 1.117 329 L CA 0.712 55.553 54.840 0.001 0.000 0.782 329 L CB -0.309 41.746 42.059 -0.006 0.000 0.914 329 L HN 0.146 nan 8.230 nan 0.000 0.441 330 L N -1.268 119.903 121.223 -0.086 0.000 2.168 330 L HA -0.082 4.258 4.340 0.001 0.000 0.203 330 L C 2.552 179.400 176.870 -0.036 0.000 1.078 330 L CA 0.650 55.398 54.840 -0.154 0.000 0.780 330 L CB -0.353 41.503 42.059 -0.337 0.000 0.939 330 L HN 0.217 nan 8.230 nan 0.000 0.451 331 Q N 0.155 120.020 119.800 0.108 0.000 2.226 331 Q HA -0.226 4.115 4.340 0.001 0.000 0.204 331 Q C 1.470 177.501 176.000 0.052 0.000 0.975 331 Q CA 1.670 57.544 55.803 0.118 0.000 0.866 331 Q CB -0.092 28.735 28.738 0.148 0.000 0.915 331 Q HN 0.484 nan 8.270 nan 0.000 0.440 332 D N -0.237 120.185 120.400 0.036 0.000 2.085 332 D HA -0.116 4.524 4.640 0.001 0.000 0.199 332 D C 1.908 178.218 176.300 0.016 0.000 0.981 332 D CA 0.987 55.004 54.000 0.028 0.000 0.834 332 D CB -0.189 40.628 40.800 0.029 0.000 0.992 332 D HN 0.182 nan 8.370 nan 0.000 0.457 333 C N 0.707 119.986 119.300 -0.035 0.000 2.376 333 C HA -0.216 4.245 4.460 0.001 0.000 0.275 333 C C 2.978 177.960 174.990 -0.013 0.000 1.200 333 C CA 2.045 61.022 59.018 -0.069 0.000 1.756 333 C CB -1.463 26.009 27.740 -0.448 0.000 2.050 333 C HN 0.587 nan 8.230 nan 0.000 0.460 334 T N -0.816 113.704 114.554 -0.055 0.000 2.737 334 T HA -0.275 4.075 4.350 0.001 0.000 0.269 334 T C 1.653 176.389 174.700 0.060 0.000 1.040 334 T CA 1.794 63.906 62.100 0.019 0.000 1.142 334 T CB -0.430 68.450 68.868 0.021 0.000 0.861 334 T HN 0.547 nan 8.240 nan 0.000 0.456 335 Q N 1.251 121.081 119.800 0.049 0.000 2.050 335 Q HA -0.093 4.248 4.340 0.001 0.000 0.202 335 Q C 2.427 178.467 176.000 0.066 0.000 0.980 335 Q CA 1.926 57.761 55.803 0.053 0.000 0.840 335 Q CB -0.404 28.360 28.738 0.043 0.000 0.898 335 Q HN 0.777 nan 8.270 nan 0.000 0.424 336 E N -0.066 120.183 120.200 0.081 0.000 2.038 336 E HA -0.147 4.204 4.350 0.001 0.000 0.195 336 E C 2.215 178.879 176.600 0.106 0.000 1.000 336 E CA 1.567 58.023 56.400 0.094 0.000 0.803 336 E CB -0.110 29.664 29.700 0.123 0.000 0.750 336 E HN 0.096 nan 8.360 nan 0.000 0.448 337 V N 1.182 121.192 119.914 0.160 0.000 2.214 337 V HA -0.314 3.806 4.120 0.001 0.000 0.245 337 V C 2.442 178.597 176.094 0.101 0.000 1.047 337 V CA 2.230 64.618 62.300 0.147 0.000 0.998 337 V CB -0.729 31.241 31.823 0.244 0.000 0.633 337 V HN 0.208 nan 8.190 nan 0.000 0.446 338 R N 0.030 120.595 120.500 0.108 0.000 2.153 338 R HA -0.297 4.044 4.340 0.001 0.000 0.252 338 R C 2.392 178.746 176.300 0.091 0.000 1.158 338 R CA 2.308 58.468 56.100 0.100 0.000 0.975 338 R CB -0.381 29.968 30.300 0.081 0.000 0.871 338 R HN 0.685 nan 8.270 nan 0.000 0.450 339 Q N -0.306 119.538 119.800 0.074 0.000 2.515 339 Q HA -0.056 4.285 4.340 0.001 0.000 0.212 339 Q C 0.939 176.974 176.000 0.057 0.000 0.970 339 Q CA 0.766 56.606 55.803 0.062 0.000 0.941 339 Q CB 0.486 29.253 28.738 0.050 0.000 0.998 339 Q HN 0.308 nan 8.270 nan 0.000 0.518 340 V N -1.472 118.472 119.914 0.050 0.000 3.151 340 V HA -0.061 4.060 4.120 0.001 0.000 0.241 340 V C 1.888 177.979 176.094 -0.006 0.000 1.173 340 V CA 1.136 63.442 62.300 0.010 0.000 1.154 340 V CB 0.381 32.189 31.823 -0.026 0.000 0.898 340 V HN 0.267 nan 8.190 nan 0.000 0.473 341 T N 1.629 116.205 114.554 0.036 0.000 2.759 341 T HA -0.285 4.066 4.350 0.001 0.000 0.269 341 T C 1.829 176.686 174.700 0.262 0.000 1.042 341 T CA 2.246 64.395 62.100 0.082 0.000 1.140 341 T CB -0.256 68.773 68.868 0.269 0.000 0.864 341 T HN 0.765 nan 8.240 nan 0.000 0.455 342 Q N 0.737 120.699 119.800 0.270 0.000 2.187 342 Q HA 0.062 4.403 4.340 0.001 0.000 0.199 342 Q C 2.433 178.610 176.000 0.294 0.000 0.957 342 Q CA 1.319 57.351 55.803 0.382 0.000 0.857 342 Q CB -0.505 28.344 28.738 0.185 0.000 0.929 342 Q HN 0.396 nan 8.270 nan 0.000 0.453 343 S N 1.144 116.918 115.700 0.123 0.000 2.402 343 S HA -0.107 4.364 4.470 0.001 0.000 0.233 343 S C 1.902 176.515 174.600 0.022 0.000 1.030 343 S CA 0.797 59.034 58.200 0.063 0.000 1.003 343 S CB -0.298 62.906 63.200 0.006 0.000 0.813 343 S HN 0.438 nan 8.310 nan 0.000 0.477 344 L N -0.382 120.795 121.223 -0.077 0.000 2.131 344 L HA -0.098 4.243 4.340 0.001 0.000 0.210 344 L C 2.124 178.873 176.870 -0.201 0.000 1.092 344 L CA 1.364 56.043 54.840 -0.268 0.000 0.759 344 L CB -0.595 41.112 42.059 -0.588 0.000 0.903 344 L HN 0.360 nan 8.230 nan 0.000 0.435 345 F N -0.515 119.451 119.950 0.027 0.000 2.118 345 F HA -0.079 4.449 4.527 0.001 0.000 0.293 345 F C 2.807 178.678 175.800 0.119 0.000 1.102 345 F CA 0.962 58.912 58.000 -0.084 0.000 1.247 345 F CB -0.551 38.230 39.000 -0.365 0.000 1.017 345 F HN -0.128 nan 8.300 nan 0.000 0.475 346 R N 0.619 121.316 120.500 0.328 0.000 2.127 346 R HA -0.194 4.147 4.340 0.001 0.000 0.238 346 R C 2.111 178.530 176.300 0.199 0.000 1.134 346 R CA 1.818 58.086 56.100 0.280 0.000 0.975 346 R CB -0.533 29.889 30.300 0.203 0.000 0.865 346 R HN 0.274 nan 8.270 nan 0.000 0.447 347 D N 0.035 120.518 120.400 0.138 0.000 2.077 347 D HA -0.148 4.493 4.640 0.001 0.000 0.196 347 D C 1.699 178.070 176.300 0.119 0.000 0.986 347 D CA 1.638 55.694 54.000 0.093 0.000 0.829 347 D CB -0.125 40.691 40.800 0.026 0.000 0.983 347 D HN 0.321 nan 8.370 nan 0.000 0.453 348 A N 0.870 123.780 122.820 0.150 0.000 1.903 348 A HA -0.226 4.094 4.320 0.001 0.000 0.219 348 A C 2.354 180.034 177.584 0.159 0.000 1.191 348 A CA 1.571 53.733 52.037 0.207 0.000 0.638 348 A CB -0.915 18.281 19.000 0.326 0.000 0.823 348 A HN 0.388 nan 8.150 nan 0.000 0.451 349 I N -0.268 120.421 120.570 0.197 0.000 2.756 349 I HA -0.144 4.027 4.170 0.001 0.000 0.262 349 I C 1.500 177.686 176.117 0.114 0.000 1.225 349 I CA 1.265 62.647 61.300 0.137 0.000 1.472 349 I CB -0.229 37.900 38.000 0.215 0.000 1.094 349 I HN 0.278 nan 8.210 nan 0.000 0.454 350 D N 0.096 120.567 120.400 0.119 0.000 2.144 350 D HA -0.057 4.584 4.640 0.001 0.000 0.207 350 D C 2.236 178.580 176.300 0.073 0.000 0.970 350 D CA 0.704 54.761 54.000 0.096 0.000 0.853 350 D CB -0.017 40.839 40.800 0.094 0.000 1.007 350 D HN 0.269 nan 8.370 nan 0.000 0.469 351 R N 0.877 121.420 120.500 0.072 0.000 2.165 351 R HA -0.178 4.163 4.340 0.001 0.000 0.254 351 R C 2.527 178.855 176.300 0.048 0.000 1.153 351 R CA 1.184 57.320 56.100 0.060 0.000 0.971 351 R CB -0.581 29.762 30.300 0.071 0.000 0.878 351 R HN 0.292 nan 8.270 nan 0.000 0.449 352 I N 0.666 121.261 120.570 0.043 0.000 2.208 352 I HA -0.297 3.874 4.170 0.001 0.000 0.245 352 I C 2.360 178.491 176.117 0.023 0.000 1.097 352 I CA 1.524 62.835 61.300 0.018 0.000 1.363 352 I CB -0.436 37.559 38.000 -0.008 0.000 1.051 352 I HN 0.170 nan 8.210 nan 0.000 0.413 353 I N 0.596 121.190 120.570 0.040 0.000 2.339 353 I HA -0.173 3.998 4.170 0.001 0.000 0.245 353 I C 2.068 178.212 176.117 0.045 0.000 1.096 353 I CA 1.100 62.427 61.300 0.045 0.000 1.408 353 I CB -0.516 37.522 38.000 0.062 0.000 1.092 353 I HN 0.119 nan 8.210 nan 0.000 0.423 354 K N 1.032 121.460 120.400 0.047 0.000 2.574 354 K HA -0.156 4.165 4.320 0.001 0.000 0.193 354 K C 1.702 178.325 176.600 0.037 0.000 1.035 354 K CA 0.816 57.129 56.287 0.043 0.000 0.982 354 K CB -0.006 32.520 32.500 0.044 0.000 0.795 354 K HN 0.142 nan 8.250 nan 0.000 0.491 355 K N -0.338 120.083 120.400 0.035 0.000 2.412 355 K HA 0.195 4.516 4.320 0.001 0.000 0.202 355 K C 1.491 178.110 176.600 0.031 0.000 1.102 355 K CA 0.248 56.553 56.287 0.030 0.000 1.027 355 K CB 0.525 33.041 32.500 0.028 0.000 0.931 355 K HN 0.042 nan 8.250 nan 0.000 0.557 356 A N 0.851 123.690 122.820 0.033 0.000 1.903 356 A HA 0.007 4.328 4.320 0.001 0.000 0.213 356 A C 1.463 179.078 177.584 0.052 0.000 1.185 356 A CA 1.012 53.073 52.037 0.039 0.000 0.628 356 A CB -0.295 18.725 19.000 0.032 0.000 0.830 356 A HN 0.267 nan 8.150 nan 0.000 0.446 357 N N 0.185 118.913 118.700 0.047 0.000 2.467 357 N HA -0.063 4.677 4.740 0.001 0.000 0.184 357 N C 1.670 177.203 175.510 0.039 0.000 1.106 357 N CA 0.919 53.997 53.050 0.046 0.000 0.892 357 N CB -0.049 38.464 38.487 0.044 0.000 0.969 357 N HN 0.448 nan 8.380 nan 0.000 0.454 358 S N 0.574 116.296 115.700 0.036 0.000 2.399 358 S HA -0.121 4.349 4.470 0.001 0.000 0.235 358 S C 0.831 175.448 174.600 0.028 0.000 1.063 358 S CA 1.063 59.282 58.200 0.030 0.000 1.070 358 S CB 0.041 63.259 63.200 0.029 0.000 0.904 358 S HN 0.223 nan 8.310 nan 0.000 0.456 359 I N -0.148 120.441 120.570 0.031 0.000 2.689 359 I HA 0.303 4.474 4.170 0.001 0.000 0.299 359 I C -0.493 175.639 176.117 0.025 0.000 1.059 359 I CA -0.497 60.818 61.300 0.025 0.000 1.055 359 I CB 2.163 40.178 38.000 0.024 0.000 1.243 359 I HN -0.008 nan 8.210 nan 0.000 0.425 360 S N 3.155 118.865 115.700 0.015 0.000 2.217 360 S HA 0.444 4.914 4.470 0.001 0.000 0.168 360 S C -0.626 173.970 174.600 -0.007 0.000 1.526 360 S CA -0.246 57.960 58.200 0.010 0.000 1.150 360 S CB -0.106 63.102 63.200 0.013 0.000 1.158 360 S HN 0.733 nan 8.310 nan 0.000 0.473 361 T N 3.731 118.271 114.554 -0.023 0.000 3.393 361 T HA 0.389 4.740 4.350 0.001 0.000 0.359 361 T C -1.302 173.336 174.700 -0.103 0.000 1.380 361 T CA -0.505 61.565 62.100 -0.050 0.000 1.132 361 T CB 0.493 69.343 68.868 -0.030 0.000 1.284 361 T HN 0.389 nan 8.240 nan 0.000 0.477 362 I N 5.945 126.414 120.570 -0.169 0.000 2.325 362 I HA 0.329 4.500 4.170 0.001 0.000 0.291 362 I C -1.834 174.171 176.117 -0.187 0.000 1.019 362 I CA -2.121 58.983 61.300 -0.327 0.000 1.302 362 I CB 1.316 39.052 38.000 -0.441 0.000 1.401 362 I HN 0.488 nan 8.210 nan 0.000 0.485 363 P HA -0.082 nan 4.420 nan 0.000 0.264 363 P C 0.882 178.175 177.300 -0.012 0.000 1.173 363 P CA 0.248 63.335 63.100 -0.021 0.000 0.761 363 P CB 0.542 32.276 31.700 0.057 0.000 0.794 364 S N 1.555 117.255 115.700 -0.001 0.000 2.419 364 S HA -0.203 4.268 4.470 0.001 0.000 0.235 364 S C 1.241 175.855 174.600 0.024 0.000 1.019 364 S CA 1.422 59.620 58.200 -0.003 0.000 0.982 364 S CB -0.737 62.458 63.200 -0.008 0.000 0.789 364 S HN 0.657 nan 8.310 nan 0.000 0.490 365 N N 1.365 120.104 118.700 0.065 0.000 2.236 365 N HA -0.008 4.733 4.740 0.001 0.000 0.196 365 N C -0.362 175.304 175.510 0.260 0.000 1.114 365 N CA 0.385 53.507 53.050 0.121 0.000 0.859 365 N CB -0.789 37.761 38.487 0.105 0.000 0.982 365 N HN 0.352 nan 8.380 nan 0.000 0.493 366 N N -0.068 118.778 118.700 0.243 0.000 2.714 366 N HA -0.137 4.604 4.740 0.001 0.000 0.250 366 N C 0.529 176.315 175.510 0.459 0.000 1.117 366 N CA 1.139 54.430 53.050 0.401 0.000 0.719 366 N CB -1.712 37.153 38.487 0.629 0.000 1.081 366 N HN 0.592 nan 8.380 nan 0.000 0.557 367 G N -0.253 108.718 108.800 0.284 0.000 2.504 367 G HA2 0.433 4.394 3.960 0.001 0.000 0.257 367 G HA3 0.433 4.394 3.960 0.001 0.000 0.257 367 G C 0.158 175.117 174.900 0.099 0.000 1.451 367 G CA -0.236 44.951 45.100 0.145 0.000 1.059 367 G HN 0.100 nan 8.290 nan 0.000 0.550 368 V N 1.167 121.086 119.914 0.008 0.000 2.450 368 V HA 0.153 4.274 4.120 0.001 0.000 0.281 368 V C 0.809 176.916 176.094 0.021 0.000 1.019 368 V CA -0.014 62.264 62.300 -0.037 0.000 1.062 368 V CB 0.138 31.930 31.823 -0.052 0.000 0.979 368 V HN 0.619 nan 8.190 nan 0.000 0.477 369 T N 4.685 119.257 114.554 0.030 0.000 2.898 369 T HA 0.085 4.436 4.350 0.001 0.000 0.301 369 T C 1.366 176.078 174.700 0.021 0.000 1.049 369 T CA -0.350 61.791 62.100 0.069 0.000 1.095 369 T CB 0.889 69.825 68.868 0.113 0.000 0.976 369 T HN 0.775 nan 8.240 nan 0.000 0.539 370 E N 0.946 121.162 120.200 0.027 0.000 2.209 370 E HA -0.168 4.183 4.350 0.001 0.000 0.196 370 E C 2.327 178.930 176.600 0.004 0.000 0.993 370 E CA 0.921 57.328 56.400 0.011 0.000 0.819 370 E CB -0.115 29.594 29.700 0.014 0.000 0.745 370 E HN 0.708 nan 8.360 nan 0.000 0.477 371 A N 1.075 123.901 122.820 0.010 0.000 1.858 371 A HA -0.192 4.129 4.320 0.001 0.000 0.216 371 A C 2.419 179.990 177.584 -0.021 0.000 1.190 371 A CA 1.958 53.996 52.037 0.002 0.000 0.617 371 A CB -0.973 18.034 19.000 0.012 0.000 0.827 371 A HN 0.175 nan 8.150 nan 0.000 0.443 372 T N -0.006 114.523 114.554 -0.042 0.000 2.699 372 T HA -0.149 4.201 4.350 0.001 0.000 0.268 372 T C 1.825 176.492 174.700 -0.055 0.000 1.036 372 T CA 1.772 63.827 62.100 -0.075 0.000 1.147 372 T CB -0.508 68.289 68.868 -0.118 0.000 0.862 372 T HN 0.196 nan 8.240 nan 0.000 0.446 373 V N 1.768 121.659 119.914 -0.038 0.000 2.626 373 V HA -0.125 3.996 4.120 0.001 0.000 0.252 373 V C 2.401 178.485 176.094 -0.017 0.000 1.067 373 V CA 1.514 63.797 62.300 -0.028 0.000 1.081 373 V CB -0.521 31.290 31.823 -0.020 0.000 0.686 373 V HN 0.528 nan 8.190 nan 0.000 0.468 374 D N 0.910 121.304 120.400 -0.010 0.000 2.085 374 D HA -0.083 4.557 4.640 0.001 0.000 0.199 374 D C 1.361 177.670 176.300 0.015 0.000 0.981 374 D CA 1.529 55.532 54.000 0.004 0.000 0.834 374 D CB -0.123 40.683 40.800 0.011 0.000 0.992 374 D HN 0.559 nan 8.370 nan 0.000 0.457 378 R N 1.601 122.151 120.500 0.084 0.000 2.080 378 R HA 0.310 4.650 4.340 0.001 0.000 0.222 378 R C 2.029 178.539 176.300 0.351 0.000 1.107 378 R CA 0.792 57.004 56.100 0.187 0.000 0.980 378 R CB -0.943 29.495 30.300 0.231 0.000 0.879 378 R HN 0.367 nan 8.270 nan 0.000 0.439 379 L N 0.351 121.738 121.223 0.273 0.000 1.989 379 L HA -0.173 4.168 4.340 0.001 0.000 0.211 379 L C 2.823 179.881 176.870 0.314 0.000 1.071 379 L CA 1.440 56.462 54.840 0.303 0.000 0.749 379 L CB -0.395 41.696 42.059 0.054 0.000 0.890 379 L HN 0.167 nan 8.230 nan 0.000 0.431 380 R N 0.467 121.065 120.500 0.164 0.000 2.113 380 R HA -0.292 4.049 4.340 0.001 0.000 0.244 380 R C 2.324 178.720 176.300 0.159 0.000 1.142 380 R CA 2.181 58.354 56.100 0.122 0.000 0.953 380 R CB -0.149 30.181 30.300 0.051 0.000 0.860 380 R HN 0.054 nan 8.270 nan 0.000 0.438 381 K N -0.308 120.162 120.400 0.118 0.000 2.127 381 K HA -0.186 4.134 4.320 0.001 0.000 0.208 381 K C 1.702 178.444 176.600 0.237 0.000 1.047 381 K CA 1.938 58.223 56.287 -0.002 0.000 0.927 381 K CB -0.372 31.916 32.500 -0.352 0.000 0.716 381 K HN 0.155 nan 8.250 nan 0.000 0.450 382 F N 0.610 120.786 119.950 0.376 0.000 2.051 382 F HA -0.247 4.281 4.527 0.001 0.000 0.296 382 F C 2.705 178.707 175.800 0.337 0.000 1.122 382 F CA 1.878 60.162 58.000 0.474 0.000 1.201 382 F CB -0.929 38.303 39.000 0.387 0.000 0.978 382 F HN 0.179 nan 8.300 nan 0.000 0.472 383 S N 0.031 115.983 115.700 0.420 0.000 2.400 383 S HA -0.307 4.163 4.470 0.001 0.000 0.234 383 S C 1.667 176.361 174.600 0.157 0.000 1.049 383 S CA 1.802 60.145 58.200 0.239 0.000 1.039 383 S CB -0.971 62.320 63.200 0.152 0.000 0.856 383 S HN 0.561 nan 8.310 nan 0.000 0.465 384 E N 0.003 120.286 120.200 0.137 0.000 2.396 384 E HA -0.097 4.253 4.350 0.001 0.000 0.200 384 E C -0.200 176.257 176.600 -0.238 0.000 1.023 384 E CA 0.855 57.217 56.400 -0.064 0.000 0.857 384 E CB -0.168 29.448 29.700 -0.140 0.000 0.775 384 E HN 0.818 nan 8.360 nan 0.000 0.525 385 Y N -0.067 120.260 120.300 0.044 0.000 2.617 385 Y HA 0.192 4.743 4.550 0.001 0.000 0.328 385 Y C 1.212 177.038 175.900 -0.123 0.000 0.946 385 Y CA -0.611 57.457 58.100 -0.053 0.000 1.241 385 Y CB 0.226 38.606 38.460 -0.133 0.000 1.226 385 Y HN -0.166 nan 8.280 nan 0.000 0.582 386 K N 1.061 121.496 120.400 0.059 0.000 1.990 386 K HA -0.277 4.043 4.320 0.001 0.000 0.225 386 K C 1.544 178.148 176.600 0.006 0.000 1.053 386 K CA 2.403 58.719 56.287 0.049 0.000 0.982 386 K CB -0.103 32.423 32.500 0.045 0.000 0.734 386 K HN 0.398 nan 8.250 nan 0.000 0.448 387 N N -0.146 118.558 118.700 0.006 0.000 2.187 387 N HA -0.192 4.549 4.740 0.001 0.000 0.194 387 N C 1.735 177.227 175.510 -0.031 0.000 1.002 387 N CA 1.647 54.698 53.050 0.001 0.000 0.882 387 N CB -0.497 38.000 38.487 0.016 0.000 1.003 387 N HN 0.542 nan 8.380 nan 0.000 0.443 388 G N -0.289 108.458 108.800 -0.088 0.000 2.551 388 G HA2 -0.108 3.852 3.960 0.001 0.000 0.216 388 G HA3 -0.108 3.852 3.960 0.001 0.000 0.216 388 G C 1.732 176.457 174.900 -0.293 0.000 1.137 388 G CA 0.251 45.233 45.100 -0.197 0.000 0.798 388 G HN 0.346 nan 8.290 nan 0.000 0.536 389 C N 0.546 119.699 119.300 -0.246 0.000 2.448 389 C HA 0.182 4.643 4.460 0.001 0.000 0.280 389 C C 2.515 177.516 174.990 0.018 0.000 1.398 389 C CA 0.047 59.070 59.018 0.008 0.000 1.774 389 C CB -0.556 27.298 27.740 0.190 0.000 1.888 389 C HN 0.290 nan 8.230 nan 0.000 0.519 390 L N 0.660 121.848 121.223 -0.058 0.000 2.121 390 L HA 0.133 4.473 4.340 0.001 0.000 0.200 390 L C 2.801 179.498 176.870 -0.288 0.000 1.077 390 L CA 2.148 56.885 54.840 -0.172 0.000 0.766 390 L CB -2.299 39.703 42.059 -0.094 0.000 0.931 390 L HN 0.346 nan 8.230 nan 0.000 0.452 391 G N -0.093 108.620 108.800 -0.144 0.000 2.626 391 G HA2 -0.143 3.818 3.960 0.001 0.000 0.224 391 G HA3 -0.143 3.818 3.960 0.001 0.000 0.224 391 G C 0.735 175.592 174.900 -0.072 0.000 1.095 391 G CA 1.245 46.289 45.100 -0.093 0.000 0.738 391 G HN 0.536 nan 8.290 nan 0.000 0.600 395 N N -0.064 118.677 118.700 0.069 0.000 2.747 395 N HA -0.176 4.565 4.740 0.001 0.000 0.249 395 N C -1.000 174.499 175.510 -0.020 0.000 1.107 395 N CA 0.657 53.718 53.050 0.017 0.000 0.707 395 N CB -0.808 37.693 38.487 0.023 0.000 1.054 395 N HN 0.457 nan 8.380 nan 0.000 0.555 396 I N 0.920 121.465 120.570 -0.042 0.000 2.540 396 I HA 0.097 4.268 4.170 0.001 0.000 0.280 396 I C 0.460 176.456 176.117 -0.202 0.000 1.083 396 I CA -0.514 60.720 61.300 -0.111 0.000 1.080 396 I CB 1.648 39.578 38.000 -0.116 0.000 1.205 396 I HN -0.027 nan 8.210 nan 0.000 0.459 397 T N 3.598 117.998 114.554 -0.255 0.000 2.860 397 T HA 0.151 4.501 4.350 0.001 0.000 0.299 397 T C 1.357 175.647 174.700 -0.682 0.000 1.045 397 T CA -0.197 61.675 62.100 -0.380 0.000 1.071 397 T CB 0.768 69.445 68.868 -0.319 0.000 0.985 397 T HN 0.805 nan 8.240 nan 0.000 0.537 398 R N 1.953 121.871 120.500 -0.971 0.000 2.339 398 R HA 0.052 4.393 4.340 0.001 0.000 0.199 398 R C 1.209 176.695 176.300 -1.356 0.000 1.018 398 R CA 0.847 55.808 56.100 -1.899 0.000 1.036 398 R CB -0.031 29.392 30.300 -1.462 0.000 0.899 398 R HN 0.584 nan 8.270 nan 0.000 0.473 399 E N 1.145 120.916 120.200 -0.715 0.000 2.208 399 E HA -0.094 4.257 4.350 0.001 0.000 0.193 399 E C 0.848 177.260 176.600 -0.314 0.000 0.988 399 E CA 0.505 56.666 56.400 -0.399 0.000 0.828 399 E CB -0.213 29.351 29.700 -0.226 0.000 0.763 399 E HN 0.480 nan 8.360 nan 0.000 0.478 400 N N 0.513 118.994 118.700 -0.365 0.000 2.635 400 N HA -0.139 4.601 4.740 0.001 0.000 0.191 400 N C 0.854 176.377 175.510 0.022 0.000 1.155 400 N CA 0.860 53.814 53.050 -0.160 0.000 0.927 400 N CB -0.034 38.361 38.487 -0.153 0.000 0.976 400 N HN 0.410 nan 8.380 nan 0.000 0.448 401 W N -0.494 120.815 121.300 0.014 0.000 2.007 401 W HA 0.474 5.135 4.660 0.001 0.000 0.301 401 W C -0.945 175.622 176.519 0.080 0.000 0.887 401 W CA -0.777 56.618 57.345 0.083 0.000 1.625 401 W CB -0.615 28.933 29.460 0.148 0.000 1.078 401 W HN -0.320 nan 8.180 nan 0.000 0.502 402 L N 2.179 123.573 121.223 0.285 0.000 2.333 402 L HA 0.639 4.980 4.340 0.001 0.000 0.269 402 L C -1.882 175.095 176.870 0.179 0.000 1.010 402 L CA -2.249 52.713 54.840 0.203 0.000 0.818 402 L CB 1.365 43.297 42.059 -0.212 0.000 1.306 402 L HN -0.444 nan 8.230 nan 0.000 0.430 403 P HA 0.001 nan 4.420 nan 0.000 0.264 403 P C 0.376 177.819 177.300 0.238 0.000 1.179 403 P CA 0.265 63.499 63.100 0.224 0.000 0.763 403 P CB 0.580 32.432 31.700 0.254 0.000 0.806 404 S N 0.900 116.694 115.700 0.158 0.000 2.387 404 S HA -0.146 4.325 4.470 0.001 0.000 0.230 404 S C 0.891 175.556 174.600 0.108 0.000 1.035 404 S CA 1.412 59.683 58.200 0.118 0.000 1.014 404 S CB -0.739 62.505 63.200 0.074 0.000 0.836 404 S HN 0.693 nan 8.310 nan 0.000 0.466 405 N N 0.468 119.236 118.700 0.114 0.000 2.573 405 N HA 0.290 5.031 4.740 0.001 0.000 0.262 405 N C -1.223 174.357 175.510 0.118 0.000 1.029 405 N CA -0.676 52.400 53.050 0.043 0.000 0.882 405 N CB 0.754 39.255 38.487 0.023 0.000 1.204 405 N HN 0.367 nan 8.380 nan 0.000 0.519 406 Y N -0.758 119.569 120.300 0.045 0.000 2.446 406 Y HA 0.578 5.129 4.550 0.001 0.000 0.345 406 Y C -0.622 175.322 175.900 0.073 0.000 0.984 406 Y CA -1.189 56.964 58.100 0.088 0.000 1.058 406 Y CB 1.475 39.983 38.460 0.080 0.000 1.220 406 Y HN 0.121 nan 8.280 nan 0.000 0.455 407 K N 3.420 123.972 120.400 0.254 0.000 2.297 407 K HA 0.136 4.457 4.320 0.001 0.000 0.286 407 K C 0.266 177.054 176.600 0.313 0.000 1.053 407 K CA -0.283 56.102 56.287 0.165 0.000 0.940 407 K CB 1.293 33.887 32.500 0.156 0.000 1.019 407 K HN 0.858 nan 8.250 nan 0.000 0.475 408 E N 1.823 122.126 120.200 0.171 0.000 2.209 408 E HA -0.244 4.107 4.350 0.001 0.000 0.196 408 E C 1.535 178.290 176.600 0.258 0.000 0.993 408 E CA 1.131 57.662 56.400 0.219 0.000 0.819 408 E CB 0.108 29.872 29.700 0.106 0.000 0.745 408 E HN 0.326 nan 8.360 nan 0.000 0.477 409 K N 1.869 122.390 120.400 0.202 0.000 2.057 409 K HA -0.166 4.155 4.320 0.001 0.000 0.207 409 K C 1.226 177.943 176.600 0.194 0.000 1.049 409 K CA 1.371 57.756 56.287 0.164 0.000 0.931 409 K CB -0.070 32.494 32.500 0.107 0.000 0.714 409 K HN 0.038 nan 8.250 nan 0.000 0.440 410 E N -0.570 119.785 120.200 0.258 0.000 2.527 410 E HA -0.090 4.261 4.350 0.001 0.000 0.204 410 E C -0.565 176.012 176.600 -0.039 0.000 1.132 410 E CA 0.227 56.701 56.400 0.122 0.000 0.905 410 E CB -0.110 29.654 29.700 0.106 0.000 0.875 410 E HN 0.249 nan 8.360 nan 0.000 0.548 411 Y N -1.701 118.643 120.300 0.073 0.000 2.634 411 Y HA 0.159 4.710 4.550 0.001 0.000 0.340 411 Y C 1.128 177.061 175.900 0.055 0.000 1.058 411 Y CA -1.238 56.900 58.100 0.064 0.000 1.081 411 Y CB 1.447 39.958 38.460 0.084 0.000 1.295 411 Y HN -0.176 nan 8.280 nan 0.000 0.487 412 T N -1.389 113.291 114.554 0.210 0.000 3.214 412 T HA 0.289 4.640 4.350 0.001 0.000 0.264 412 T C -0.393 174.394 174.700 0.146 0.000 1.012 412 T CA -0.133 62.046 62.100 0.132 0.000 0.901 412 T CB -0.386 68.527 68.868 0.075 0.000 1.070 412 T HN 0.213 nan 8.240 nan 0.000 0.561 413 L N 1.770 123.110 121.223 0.195 0.000 2.305 413 L HA 0.519 4.860 4.340 0.001 0.000 0.281 413 L C 0.575 177.538 176.870 0.155 0.000 1.085 413 L CA 0.536 55.488 54.840 0.188 0.000 0.813 413 L CB 1.054 43.252 42.059 0.230 0.000 1.157 413 L HN 0.249 nan 8.230 nan 0.000 0.436 414 Q N 1.409 121.289 119.800 0.134 0.000 2.399 414 Q HA 0.082 4.422 4.340 0.001 0.000 0.181 414 Q C 0.378 176.438 176.000 0.100 0.000 0.699 414 Q CA 0.170 56.038 55.803 0.109 0.000 0.910 414 Q CB 0.119 28.907 28.738 0.084 0.000 1.256 414 Q HN 0.795 nan 8.270 nan 0.000 0.414 415 N N 2.518 121.268 118.700 0.083 0.000 2.581 415 N HA -0.069 4.671 4.740 0.001 0.000 0.230 415 N C -0.895 174.656 175.510 0.069 0.000 1.310 415 N CA 0.369 53.455 53.050 0.061 0.000 0.886 415 N CB -0.161 38.346 38.487 0.035 0.000 1.205 415 N HN 0.279 nan 8.380 nan 0.000 0.488 416 E N 0.721 120.996 120.200 0.126 0.000 2.468 416 E HA -0.016 4.335 4.350 0.001 0.000 0.236 416 E C -0.066 176.599 176.600 0.108 0.000 1.240 416 E CA 0.096 56.609 56.400 0.188 0.000 0.965 416 E CB -0.278 29.573 29.700 0.253 0.000 1.087 416 E HN 0.576 nan 8.360 nan 0.000 0.470 417 A N 3.991 126.820 122.820 0.015 0.000 2.676 417 A HA 0.262 4.583 4.320 0.001 0.000 0.258 417 A C -0.331 177.184 177.584 -0.115 0.000 0.898 417 A CA -0.492 51.532 52.037 -0.021 0.000 1.087 417 A CB 0.315 19.308 19.000 -0.012 0.000 1.214 417 A HN 0.336 nan 8.150 nan 0.000 0.474 418 L N 0.956 122.028 121.223 -0.253 0.000 2.329 418 L HA 0.400 4.741 4.340 0.001 0.000 0.279 418 L C -0.020 176.578 176.870 -0.454 0.000 1.014 418 L CA -1.107 53.457 54.840 -0.459 0.000 0.814 418 L CB 1.555 43.103 42.059 -0.853 0.000 1.257 418 L HN 0.436 nan 8.230 nan 0.000 0.424 419 N N 1.774 120.309 118.700 -0.275 0.000 3.193 419 N HA -0.070 4.670 4.740 0.001 0.000 0.312 419 N C 0.477 175.936 175.510 -0.085 0.000 1.261 419 N CA -0.233 52.739 53.050 -0.130 0.000 1.208 419 N CB -0.194 38.245 38.487 -0.079 0.000 1.471 419 N HN 0.733 nan 8.380 nan 0.000 0.548 420 W N 0.437 121.728 121.300 -0.015 0.000 2.331 420 W HA -0.194 4.467 4.660 0.001 0.000 0.275 420 W C 1.950 178.440 176.519 -0.049 0.000 1.184 420 W CA 0.419 57.751 57.345 -0.022 0.000 1.142 420 W CB -0.011 29.432 29.460 -0.028 0.000 1.136 420 W HN 0.336 nan 8.180 nan 0.000 0.570 421 E N 0.457 120.728 120.200 0.118 0.000 2.112 421 E HA -0.143 4.207 4.350 0.001 0.000 0.190 421 E C 0.594 177.126 176.600 -0.113 0.000 0.979 421 E CA 0.758 57.161 56.400 0.005 0.000 0.814 421 E CB -0.572 29.117 29.700 -0.017 0.000 0.762 421 E HN 0.137 nan 8.360 nan 0.000 0.460 422 D N 0.287 120.633 120.400 -0.089 0.000 2.401 422 D HA -0.094 4.546 4.640 0.001 0.000 0.254 422 D C 0.929 177.191 176.300 -0.063 0.000 1.192 422 D CA 0.007 53.933 54.000 -0.123 0.000 0.885 422 D CB 0.538 41.298 40.800 -0.066 0.000 1.147 422 D HN 0.156 nan 8.370 nan 0.000 0.478 423 H N 4.448 123.544 119.070 0.044 0.000 2.289 423 H HA -0.172 4.385 4.556 0.001 0.000 0.296 423 H C 1.546 176.909 175.328 0.057 0.000 1.091 423 H CA 1.268 57.347 56.048 0.053 0.000 1.274 423 H CB -0.141 29.645 29.762 0.040 0.000 1.364 423 H HN 0.576 nan 8.280 nan 0.000 0.490 424 N N 0.618 119.418 118.700 0.167 0.000 2.069 424 N HA -0.146 4.594 4.740 0.001 0.000 0.196 424 N C 2.151 177.706 175.510 0.075 0.000 1.024 424 N CA 1.369 54.481 53.050 0.103 0.000 0.869 424 N CB -0.646 37.879 38.487 0.062 0.000 1.035 424 N HN 0.149 nan 8.380 nan 0.000 0.434 425 V N 1.656 121.588 119.914 0.030 0.000 2.427 425 V HA -0.147 3.974 4.120 0.001 0.000 0.248 425 V C 2.484 178.614 176.094 0.061 0.000 1.051 425 V CA 0.989 63.264 62.300 -0.042 0.000 1.048 425 V CB -0.439 31.268 31.823 -0.192 0.000 0.666 425 V HN 0.224 nan 8.190 nan 0.000 0.456 426 L N -0.890 120.448 121.223 0.191 0.000 1.961 426 L HA -0.175 4.166 4.340 0.001 0.000 0.210 426 L C 2.485 179.572 176.870 0.362 0.000 1.072 426 L CA 1.471 56.542 54.840 0.385 0.000 0.749 426 L CB -0.518 41.750 42.059 0.349 0.000 0.889 426 L HN 0.321 nan 8.230 nan 0.000 0.432 427 L N -0.441 120.923 121.223 0.236 0.000 2.021 427 L HA -0.300 4.041 4.340 0.001 0.000 0.215 427 L C 2.738 179.713 176.870 0.175 0.000 1.074 427 L CA 2.336 57.294 54.840 0.197 0.000 0.760 427 L CB -1.106 41.047 42.059 0.158 0.000 0.889 427 L HN 0.342 nan 8.230 nan 0.000 0.433 428 S N -1.753 114.020 115.700 0.122 0.000 2.359 428 S HA -0.269 4.202 4.470 0.001 0.000 0.224 428 S C 2.355 176.992 174.600 0.062 0.000 1.035 428 S CA 1.586 59.821 58.200 0.059 0.000 1.018 428 S CB -1.037 62.179 63.200 0.028 0.000 0.876 428 S HN 0.744 nan 8.310 nan 0.000 0.448 429 C N 0.892 120.289 119.300 0.161 0.000 2.413 429 C HA -0.090 4.371 4.460 0.001 0.000 0.277 429 C C 2.263 177.323 174.990 0.118 0.000 1.228 429 C CA 1.261 60.428 59.018 0.249 0.000 1.731 429 C CB -2.057 26.026 27.740 0.571 0.000 2.042 429 C HN 0.722 nan 8.230 nan 0.000 0.468 430 F N 1.991 121.812 119.950 -0.215 0.000 2.024 430 F HA -0.208 4.320 4.527 0.001 0.000 0.296 430 F C 2.001 177.503 175.800 -0.497 0.000 1.137 430 F CA 2.383 59.836 58.000 -0.912 0.000 1.200 430 F CB -1.117 37.332 39.000 -0.918 0.000 0.954 430 F HN 0.322 nan 8.300 nan 0.000 0.497 431 I N -0.178 120.032 120.570 -0.599 0.000 2.143 431 I HA -0.433 3.738 4.170 0.001 0.000 0.245 431 I C 2.478 178.334 176.117 -0.435 0.000 1.068 431 I CA 1.907 62.845 61.300 -0.602 0.000 1.326 431 I CB -1.051 36.793 38.000 -0.260 0.000 1.028 431 I HN 0.194 nan 8.210 nan 0.000 0.412 432 S N 0.133 115.684 115.700 -0.249 0.000 2.419 432 S HA -0.167 4.303 4.470 0.001 0.000 0.233 432 S C 1.515 176.035 174.600 -0.133 0.000 1.016 432 S CA 1.250 59.362 58.200 -0.147 0.000 0.974 432 S CB -0.281 62.894 63.200 -0.042 0.000 0.786 432 S HN 0.443 nan 8.310 nan 0.000 0.492 433 D N 0.974 121.273 120.400 -0.168 0.000 2.103 433 D HA -0.025 4.616 4.640 0.001 0.000 0.199 433 D C 2.141 178.316 176.300 -0.209 0.000 0.978 433 D CA 0.745 54.712 54.000 -0.054 0.000 0.829 433 D CB -0.614 40.188 40.800 0.004 0.000 0.981 433 D HN 0.331 nan 8.370 nan 0.000 0.464 434 C N 1.106 120.136 119.300 -0.450 0.000 2.388 434 C HA -0.163 4.298 4.460 0.001 0.000 0.277 434 C C 2.863 177.693 174.990 -0.266 0.000 1.210 434 C CA 0.282 59.056 59.018 -0.406 0.000 1.743 434 C CB -1.098 26.284 27.740 -0.596 0.000 2.047 434 C HN 0.351 nan 8.230 nan 0.000 0.458 435 I N 1.136 121.548 120.570 -0.262 0.000 2.118 435 I HA -0.255 3.915 4.170 0.001 0.000 0.241 435 I C 2.113 178.126 176.117 -0.173 0.000 1.070 435 I CA 2.102 63.285 61.300 -0.196 0.000 1.327 435 I CB -0.926 36.967 38.000 -0.178 0.000 1.034 435 I HN 0.353 nan 8.210 nan 0.000 0.405 436 D N 0.631 120.926 120.400 -0.174 0.000 2.104 436 D HA -0.158 4.483 4.640 0.001 0.000 0.194 436 D C 2.140 178.283 176.300 -0.262 0.000 0.994 436 D CA 1.800 55.677 54.000 -0.205 0.000 0.830 436 D CB -0.326 40.326 40.800 -0.245 0.000 0.959 436 D HN 0.252 nan 8.370 nan 0.000 0.452 437 T N 0.984 115.376 114.554 -0.270 0.000 2.555 437 T HA -0.219 4.132 4.350 0.001 0.000 0.264 437 T C 1.853 176.473 174.700 -0.132 0.000 1.083 437 T CA 1.388 63.365 62.100 -0.206 0.000 1.179 437 T CB -0.688 68.113 68.868 -0.111 0.000 0.863 437 T HN 0.085 nan 8.240 nan 0.000 0.412 438 L N 1.850 123.001 121.223 -0.121 0.000 2.030 438 L HA -0.223 4.118 4.340 0.001 0.000 0.222 438 L C 2.537 179.344 176.870 -0.105 0.000 1.082 438 L CA 2.512 57.290 54.840 -0.102 0.000 0.785 438 L CB -1.390 40.596 42.059 -0.122 0.000 0.895 438 L HN 0.283 nan 8.230 nan 0.000 0.439 439 A N -1.054 121.693 122.820 -0.122 0.000 1.865 439 A HA -0.170 4.151 4.320 0.001 0.000 0.217 439 A C 2.265 179.861 177.584 0.019 0.000 1.191 439 A CA 2.580 54.559 52.037 -0.097 0.000 0.623 439 A CB -1.284 17.696 19.000 -0.034 0.000 0.826 439 A HN 0.401 nan 8.150 nan 0.000 0.444 440 V N 0.978 120.885 119.914 -0.011 0.000 2.261 440 V HA -0.282 3.838 4.120 0.001 0.000 0.246 440 V C 2.351 178.459 176.094 0.024 0.000 1.047 440 V CA 2.136 64.433 62.300 -0.004 0.000 1.015 440 V CB -1.041 30.728 31.823 -0.091 0.000 0.642 440 V HN 0.565 nan 8.190 nan 0.000 0.446 441 N N 0.058 118.760 118.700 0.003 0.000 2.104 441 N HA -0.158 4.583 4.740 0.001 0.000 0.190 441 N C 1.708 177.257 175.510 0.065 0.000 1.024 441 N CA 1.318 54.387 53.050 0.033 0.000 0.853 441 N CB -0.365 38.135 38.487 0.020 0.000 1.008 441 N HN 0.252 nan 8.380 nan 0.000 0.424 442 L N 1.963 123.219 121.223 0.055 0.000 2.012 442 L HA -0.130 4.210 4.340 0.001 0.000 0.210 442 L C 2.371 179.367 176.870 0.209 0.000 1.073 442 L CA 1.474 56.392 54.840 0.131 0.000 0.748 442 L CB -1.012 41.058 42.059 0.020 0.000 0.891 442 L HN 0.261 nan 8.230 nan 0.000 0.431 443 E N -0.844 119.455 120.200 0.166 0.000 2.160 443 E HA -0.287 4.064 4.350 0.001 0.000 0.195 443 E C 2.278 178.979 176.600 0.167 0.000 0.991 443 E CA 0.911 57.436 56.400 0.207 0.000 0.810 443 E CB 0.160 29.971 29.700 0.185 0.000 0.742 443 E HN 0.251 nan 8.360 nan 0.000 0.466 444 R N 1.554 122.127 120.500 0.122 0.000 2.092 444 R HA -0.177 4.163 4.340 0.001 0.000 0.226 444 R C 2.422 178.781 176.300 0.098 0.000 1.140 444 R CA 2.390 58.549 56.100 0.098 0.000 0.910 444 R CB -0.494 29.852 30.300 0.077 0.000 0.822 444 R HN 0.011 nan 8.270 nan 0.000 0.433 445 K N -0.058 120.398 120.400 0.094 0.000 2.107 445 K HA -0.232 4.089 4.320 0.001 0.000 0.211 445 K C 1.840 178.485 176.600 0.075 0.000 1.049 445 K CA 1.979 58.313 56.287 0.079 0.000 0.927 445 K CB -0.414 32.135 32.500 0.083 0.000 0.714 445 K HN 0.303 nan 8.250 nan 0.000 0.452 446 A N 1.227 124.116 122.820 0.116 0.000 1.865 446 A HA -0.232 4.089 4.320 0.001 0.000 0.217 446 A C 2.140 179.779 177.584 0.091 0.000 1.191 446 A CA 1.849 53.938 52.037 0.086 0.000 0.623 446 A CB -0.633 18.495 19.000 0.214 0.000 0.826 446 A HN 0.585 nan 8.150 nan 0.000 0.444 447 Q N -0.716 119.155 119.800 0.120 0.000 2.079 447 Q HA -0.080 4.261 4.340 0.001 0.000 0.200 447 Q C 2.140 178.186 176.000 0.076 0.000 0.974 447 Q CA 1.278 57.145 55.803 0.106 0.000 0.840 447 Q CB -0.310 28.488 28.738 0.101 0.000 0.898 447 Q HN 0.719 nan 8.270 nan 0.000 0.430 448 I N 0.869 121.477 120.570 0.065 0.000 2.068 448 I HA -0.390 3.781 4.170 0.001 0.000 0.238 448 I C 2.427 178.571 176.117 0.044 0.000 1.046 448 I CA 1.249 62.578 61.300 0.048 0.000 1.306 448 I CB -0.571 37.455 38.000 0.045 0.000 1.023 448 I HN 0.220 nan 8.210 nan 0.000 0.399 449 A N 1.218 124.061 122.820 0.038 0.000 1.849 449 A HA -0.185 4.135 4.320 0.001 0.000 0.216 449 A C 1.470 179.080 177.584 0.043 0.000 1.225 449 A CA 1.227 53.279 52.037 0.025 0.000 0.653 449 A CB -1.300 17.699 19.000 -0.002 0.000 0.844 449 A HN 0.319 nan 8.150 nan 0.000 0.453 453 N N -1.165 117.543 118.700 0.014 0.000 2.878 453 N HA -0.145 4.595 4.740 0.001 0.000 0.247 453 N C -0.639 174.874 175.510 0.006 0.000 1.021 453 N CA 0.744 53.800 53.050 0.010 0.000 0.873 453 N CB -0.784 37.708 38.487 0.009 0.000 1.128 453 N HN 0.505 nan 8.380 nan 0.000 0.571 454 Q N 0.919 120.723 119.800 0.006 0.000 2.290 454 Q HA 0.284 4.625 4.340 0.001 0.000 0.269 454 Q C -0.987 175.018 176.000 0.008 0.000 1.016 454 Q CA -0.604 55.200 55.803 0.001 0.000 0.754 454 Q CB 2.203 30.934 28.738 -0.011 0.000 1.247 454 Q HN 0.077 nan 8.270 nan 0.000 0.451 455 E N 4.089 124.295 120.200 0.009 0.000 2.491 455 E HA 0.030 4.380 4.350 0.001 0.000 0.250 455 E C -2.218 174.394 176.600 0.020 0.000 1.061 455 E CA -1.124 55.285 56.400 0.016 0.000 0.942 455 E CB 0.281 29.990 29.700 0.015 0.000 0.957 455 E HN 0.183 nan 8.360 nan 0.000 0.480 456 P HA -0.097 nan 4.420 nan 0.000 0.253 456 P C -0.873 176.452 177.300 0.043 0.000 1.159 456 P CA 0.479 63.604 63.100 0.041 0.000 0.779 456 P CB 0.327 32.058 31.700 0.052 0.000 0.745 457 D N 4.263 124.686 120.400 0.039 0.000 2.639 457 D HA 0.083 4.724 4.640 0.001 0.000 0.233 457 D C 0.050 176.390 176.300 0.068 0.000 1.161 457 D CA -0.323 53.700 54.000 0.039 0.000 1.003 457 D CB 0.097 40.905 40.800 0.014 0.000 1.034 457 D HN 0.058 nan 8.370 nan 0.000 0.514 458 V N -0.396 119.565 119.914 0.078 0.000 3.051 458 V HA 0.512 4.633 4.120 0.001 0.000 0.306 458 V C 0.973 177.121 176.094 0.091 0.000 1.083 458 V CA -0.566 61.793 62.300 0.099 0.000 1.104 458 V CB 0.843 32.712 31.823 0.077 0.000 1.027 458 V HN 0.555 nan 8.190 nan 0.000 0.483 459 A N 2.056 124.928 122.820 0.087 0.000 2.466 459 A HA -0.178 4.143 4.320 0.001 0.000 0.295 459 A C 0.326 177.968 177.584 0.096 0.000 1.465 459 A CA 1.277 53.327 52.037 0.023 0.000 0.744 459 A CB -2.394 16.588 19.000 -0.030 0.000 1.098 459 A HN 2.188 nan 8.150 nan 0.000 0.402 460 N N -0.630 118.192 118.700 0.204 0.000 2.793 460 N HA 0.444 5.185 4.740 0.001 0.000 0.251 460 N C -2.072 173.437 175.510 -0.002 0.000 1.308 460 N CA -1.588 51.520 53.050 0.096 0.000 0.781 460 N CB 1.099 39.610 38.487 0.039 0.000 1.439 460 N HN -0.054 nan 8.380 nan 0.000 0.562 461 P HA 0.011 nan 4.420 nan 0.000 0.229 461 P C -0.272 176.911 177.300 -0.195 0.000 1.150 461 P CA 1.062 64.047 63.100 -0.190 0.000 0.765 461 P CB 0.188 31.925 31.700 0.062 0.000 0.783 462 N N -2.204 116.429 118.700 -0.111 0.000 2.234 462 N HA 0.047 4.788 4.740 0.001 0.000 0.227 462 N C -0.165 175.293 175.510 -0.085 0.000 1.151 462 N CA -0.028 52.973 53.050 -0.082 0.000 0.865 462 N CB -0.069 38.397 38.487 -0.035 0.000 1.066 462 N HN -0.115 nan 8.380 nan 0.000 0.515 463 S N -0.277 115.352 115.700 -0.119 0.000 2.563 463 S HA 0.036 4.506 4.470 0.001 0.000 0.294 463 S C 1.186 175.734 174.600 -0.087 0.000 1.279 463 S CA -0.031 58.114 58.200 -0.092 0.000 1.069 463 S CB 0.365 63.502 63.200 -0.105 0.000 0.828 463 S HN 0.286 nan 8.310 nan 0.000 0.497 464 S N 4.605 120.269 115.700 -0.060 0.000 2.458 464 S HA 0.069 4.539 4.470 0.001 0.000 0.223 464 S C 1.677 176.241 174.600 -0.060 0.000 1.019 464 S CA 0.241 58.408 58.200 -0.054 0.000 0.937 464 S CB 0.034 63.212 63.200 -0.036 0.000 0.788 464 S HN 0.728 nan 8.310 nan 0.000 0.511 465 K N 1.573 121.938 120.400 -0.059 0.000 2.044 465 K HA 0.073 4.394 4.320 0.001 0.000 0.204 465 K C 0.822 177.365 176.600 -0.096 0.000 1.049 465 K CA 0.325 56.574 56.287 -0.063 0.000 0.945 465 K CB -0.143 32.331 32.500 -0.044 0.000 0.724 465 K HN 0.135 nan 8.250 nan 0.000 0.440 466 N N 1.933 120.573 118.700 -0.100 0.000 2.447 466 N HA -0.046 4.695 4.740 0.001 0.000 0.263 466 N C -0.184 175.228 175.510 -0.164 0.000 1.226 466 N CA 0.725 53.697 53.050 -0.130 0.000 0.906 466 N CB 0.726 39.151 38.487 -0.105 0.000 1.060 466 N HN 0.113 nan 8.380 nan 0.000 0.468 467 K N 2.093 122.339 120.400 -0.258 0.000 2.438 467 K HA 0.130 4.451 4.320 0.001 0.000 0.206 467 K C -0.347 176.209 176.600 -0.073 0.000 1.081 467 K CA -0.129 56.035 56.287 -0.206 0.000 1.053 467 K CB 0.692 33.056 32.500 -0.228 0.000 0.908 467 K HN 0.483 nan 8.250 nan 0.000 0.556 468 H N 0.693 119.764 119.070 0.001 0.000 2.481 468 H HA 0.259 4.816 4.556 0.001 0.000 0.273 468 H C 0.618 175.980 175.328 0.057 0.000 1.145 468 H CA -0.489 55.576 56.048 0.029 0.000 0.964 468 H CB 0.288 30.078 29.762 0.047 0.000 1.722 468 H HN 0.032 nan 8.280 nan 0.000 0.573 469 K N 0.676 121.132 120.400 0.094 0.000 1.987 469 K HA -0.259 4.062 4.320 0.001 0.000 0.216 469 K C 1.980 178.691 176.600 0.184 0.000 1.051 469 K CA 1.693 58.024 56.287 0.075 0.000 0.942 469 K CB 0.137 32.539 32.500 -0.164 0.000 0.722 469 K HN 0.250 nan 8.250 nan 0.000 0.444 470 Q N 1.077 120.926 119.800 0.082 0.000 2.028 470 Q HA -0.315 4.026 4.340 0.001 0.000 0.213 470 Q C 2.267 178.220 176.000 -0.077 0.000 1.017 470 Q CA 2.348 58.150 55.803 -0.002 0.000 0.875 470 Q CB -0.157 28.533 28.738 -0.080 0.000 0.962 470 Q HN 0.227 nan 8.270 nan 0.000 0.413 471 R N -0.158 120.319 120.500 -0.037 0.000 2.083 471 R HA -0.159 4.181 4.340 0.001 0.000 0.237 471 R C 2.357 178.812 176.300 0.258 0.000 1.137 471 R CA 1.907 58.047 56.100 0.067 0.000 0.951 471 R CB -0.405 30.014 30.300 0.199 0.000 0.851 471 R HN 0.474 nan 8.270 nan 0.000 0.434 472 I N 0.275 121.019 120.570 0.290 0.000 2.264 472 I HA -0.209 3.961 4.170 0.001 0.000 0.248 472 I C 2.425 178.762 176.117 0.367 0.000 1.111 472 I CA 1.366 62.894 61.300 0.380 0.000 1.382 472 I CB -0.706 37.537 38.000 0.405 0.000 1.060 472 I HN 0.446 nan 8.210 nan 0.000 0.418 473 G N 1.033 110.050 108.800 0.361 0.000 2.524 473 G HA2 -0.332 3.629 3.960 0.001 0.000 0.215 473 G HA3 -0.332 3.629 3.960 0.001 0.000 0.215 473 G C 1.546 176.526 174.900 0.132 0.000 1.239 473 G CA 0.766 46.039 45.100 0.288 0.000 0.798 473 G HN 0.325 nan 8.290 nan 0.000 0.557 474 F N 1.002 120.949 119.950 -0.005 0.000 2.085 474 F HA -0.198 4.330 4.527 0.001 0.000 0.299 474 F C 2.184 178.015 175.800 0.052 0.000 1.096 474 F CA 1.968 59.954 58.000 -0.023 0.000 1.227 474 F CB -0.565 38.352 39.000 -0.137 0.000 0.983 474 F HN 0.137 nan 8.300 nan 0.000 0.482 475 F N 1.031 120.953 119.950 -0.046 0.000 2.065 475 F HA -0.266 4.261 4.527 0.001 0.000 0.298 475 F C 2.161 177.796 175.800 -0.275 0.000 1.112 475 F CA 1.893 59.821 58.000 -0.120 0.000 1.212 475 F CB -0.851 38.172 39.000 0.038 0.000 0.975 475 F HN -0.025 nan 8.300 nan 0.000 0.476 476 I N 0.307 120.526 120.570 -0.585 0.000 2.252 476 I HA -0.178 3.992 4.170 0.001 0.000 0.245 476 I C 1.693 177.285 176.117 -0.876 0.000 1.102 476 I CA 0.592 61.337 61.300 -0.925 0.000 1.385 476 I CB -1.444 35.893 38.000 -1.106 0.000 1.064 476 I HN 0.070 nan 8.210 nan 0.000 0.414 480 L N 2.095 123.103 121.223 -0.359 0.000 2.042 480 L HA -0.149 4.191 4.340 0.001 0.000 0.210 480 L C 2.769 179.523 176.870 -0.194 0.000 1.076 480 L CA 2.350 57.025 54.840 -0.276 0.000 0.749 480 L CB -0.947 40.925 42.059 -0.310 0.000 0.893 480 L HN 0.410 nan 8.230 nan 0.000 0.432 481 T N -1.940 112.499 114.554 -0.192 0.000 2.849 481 T HA -0.222 4.128 4.350 0.001 0.000 0.270 481 T C 1.811 176.447 174.700 -0.108 0.000 1.066 481 T CA 1.044 63.067 62.100 -0.129 0.000 1.130 481 T CB -0.288 68.507 68.868 -0.121 0.000 0.864 481 T HN 0.235 nan 8.240 nan 0.000 0.481 482 L N 0.971 122.117 121.223 -0.129 0.000 2.162 482 L HA 0.149 4.490 4.340 0.001 0.000 0.205 482 L C 2.529 179.342 176.870 -0.095 0.000 1.086 482 L CA 1.108 55.888 54.840 -0.100 0.000 0.778 482 L CB -0.956 41.039 42.059 -0.106 0.000 0.928 482 L HN 0.235 nan 8.230 nan 0.000 0.446 483 V N 0.753 120.594 119.914 -0.121 0.000 2.287 483 V HA -0.309 3.812 4.120 0.001 0.000 0.248 483 V C 2.621 178.662 176.094 -0.088 0.000 1.053 483 V CA 2.100 64.333 62.300 -0.112 0.000 1.027 483 V CB -0.642 31.096 31.823 -0.142 0.000 0.646 483 V HN 0.509 nan 8.190 nan 0.000 0.447 484 E N -0.185 119.965 120.200 -0.084 0.000 2.049 484 E HA -0.306 4.045 4.350 0.001 0.000 0.198 484 E C 2.306 178.886 176.600 -0.034 0.000 1.007 484 E CA 1.951 58.319 56.400 -0.053 0.000 0.809 484 E CB -0.146 29.528 29.700 -0.044 0.000 0.749 484 E HN 0.689 nan 8.360 nan 0.000 0.450 485 Q N -0.134 119.643 119.800 -0.039 0.000 1.998 485 Q HA -0.241 4.099 4.340 0.001 0.000 0.209 485 Q C 2.329 178.317 176.000 -0.021 0.000 1.002 485 Q CA 2.102 57.889 55.803 -0.027 0.000 0.858 485 Q CB -0.344 28.374 28.738 -0.033 0.000 0.932 485 Q HN 0.333 nan 8.270 nan 0.000 0.416 486 I N 0.041 120.593 120.570 -0.030 0.000 2.315 486 I HA -0.257 3.914 4.170 0.001 0.000 0.251 486 I C 2.167 178.276 176.117 -0.014 0.000 1.125 486 I CA 0.975 62.262 61.300 -0.022 0.000 1.392 486 I CB -0.524 37.460 38.000 -0.027 0.000 1.065 486 I HN 0.036 nan 8.210 nan 0.000 0.424 487 V N 0.136 120.037 119.914 -0.022 0.000 2.283 487 V HA -0.234 3.887 4.120 0.001 0.000 0.243 487 V C 2.363 178.468 176.094 0.018 0.000 1.039 487 V CA 1.775 64.065 62.300 -0.016 0.000 1.016 487 V CB -0.698 31.096 31.823 -0.049 0.000 0.650 487 V HN 0.431 nan 8.190 nan 0.000 0.449 488 E N 0.426 120.645 120.200 0.032 0.000 2.118 488 E HA -0.255 4.095 4.350 0.001 0.000 0.195 488 E C 1.943 178.559 176.600 0.027 0.000 0.992 488 E CA 1.182 57.611 56.400 0.048 0.000 0.804 488 E CB -0.220 29.502 29.700 0.037 0.000 0.741 488 E HN 0.601 nan 8.360 nan 0.000 0.458 489 K N 0.825 121.232 120.400 0.013 0.000 2.555 489 K HA -0.000 4.320 4.320 0.001 0.000 0.193 489 K C 0.658 177.263 176.600 0.009 0.000 1.032 489 K CA 0.276 56.567 56.287 0.007 0.000 1.004 489 K CB 0.135 32.635 32.500 -0.000 0.000 0.804 489 K HN 0.052 nan 8.250 nan 0.000 0.496 490 S N -1.542 114.169 115.700 0.017 0.000 2.752 490 S HA 0.224 4.695 4.470 0.001 0.000 0.284 490 S C 0.542 175.160 174.600 0.029 0.000 1.189 490 S CA -0.997 57.215 58.200 0.019 0.000 0.835 490 S CB 1.282 64.493 63.200 0.019 0.000 1.192 490 S HN -0.141 nan 8.310 nan 0.000 0.506 491 E N 0.563 120.782 120.200 0.031 0.000 2.130 491 E HA -0.113 4.238 4.350 0.001 0.000 0.196 491 E C 1.861 178.490 176.600 0.048 0.000 0.998 491 E CA 1.332 57.757 56.400 0.040 0.000 0.806 491 E CB -0.692 29.035 29.700 0.045 0.000 0.738 491 E HN 0.604 nan 8.360 nan 0.000 0.459 492 L N 1.342 122.591 121.223 0.045 0.000 2.197 492 L HA -0.255 4.086 4.340 0.001 0.000 0.215 492 L C 2.402 179.277 176.870 0.007 0.000 1.095 492 L CA 1.000 55.855 54.840 0.025 0.000 0.764 492 L CB -0.603 41.458 42.059 0.004 0.000 0.897 492 L HN 0.168 nan 8.230 nan 0.000 0.436 493 N N 0.466 119.191 118.700 0.041 0.000 2.106 493 N HA -0.077 4.664 4.740 0.001 0.000 0.188 493 N C 1.035 176.633 175.510 0.147 0.000 1.029 493 N CA 0.639 53.757 53.050 0.113 0.000 0.848 493 N CB 0.040 38.608 38.487 0.134 0.000 1.007 493 N HN 0.173 nan 8.380 nan 0.000 0.423 497 A N 1.404 124.330 122.820 0.176 0.000 1.655 497 A HA 0.141 4.461 4.320 0.001 0.000 0.342 497 A C 1.402 179.102 177.584 0.194 0.000 0.810 497 A CA 2.004 54.218 52.037 0.295 0.000 1.558 497 A CB -1.231 17.848 19.000 0.132 0.000 0.633 497 A HN 1.561 nan 8.150 nan 0.000 0.178 498 G N 1.783 110.721 108.800 0.230 0.000 4.269 498 G HA2 -0.327 3.634 3.960 0.001 0.000 0.290 498 G HA3 -0.327 3.634 3.960 0.001 0.000 0.290 498 G C 1.070 176.022 174.900 0.086 0.000 1.570 498 G CA 1.108 46.269 45.100 0.101 0.000 1.072 498 G HN 1.931 nan 8.290 nan 0.000 0.681 499 E N 1.822 122.045 120.200 0.038 0.000 2.058 499 E HA 0.084 4.435 4.350 0.001 0.000 0.194 499 E C 2.626 179.235 176.600 0.015 0.000 0.997 499 E CA 2.871 59.277 56.400 0.011 0.000 0.801 499 E CB -1.234 28.448 29.700 -0.031 0.000 0.746 499 E HN 0.970 nan 8.360 nan 0.000 0.450 500 G N 0.409 109.207 108.800 -0.004 0.000 2.514 500 G HA2 -0.323 3.637 3.960 0.001 0.000 0.217 500 G HA3 -0.323 3.637 3.960 0.001 0.000 0.217 500 G C 1.555 176.396 174.900 -0.098 0.000 1.198 500 G CA 1.260 46.314 45.100 -0.077 0.000 0.780 500 G HN 0.397 nan 8.290 nan 0.000 0.565 501 H N 0.582 119.645 119.070 -0.012 0.000 2.390 501 H HA -0.059 4.497 4.556 0.001 0.000 0.298 501 H C 3.031 178.355 175.328 -0.007 0.000 1.106 501 H CA 1.503 57.544 56.048 -0.012 0.000 1.297 501 H CB -0.179 29.576 29.762 -0.012 0.000 1.375 501 H HN 0.313 nan 8.280 nan 0.000 0.509 502 S N 0.332 116.095 115.700 0.104 0.000 2.382 502 S HA -0.095 4.376 4.470 0.001 0.000 0.228 502 S C 2.195 176.819 174.600 0.041 0.000 1.027 502 S CA 0.819 59.056 58.200 0.062 0.000 0.991 502 S CB 0.058 63.285 63.200 0.045 0.000 0.823 502 S HN 0.443 nan 8.310 nan 0.000 0.469 503 R N 0.485 121.001 120.500 0.027 0.000 2.057 503 R HA 0.049 4.389 4.340 0.001 0.000 0.229 503 R C 2.276 178.582 176.300 0.009 0.000 1.136 503 R CA 0.799 56.913 56.100 0.023 0.000 0.952 503 R CB -0.653 29.660 30.300 0.022 0.000 0.848 503 R HN 0.241 nan 8.270 nan 0.000 0.430 504 L N 1.977 123.190 121.223 -0.017 0.000 2.021 504 L HA -0.228 4.113 4.340 0.001 0.000 0.215 504 L C 1.984 178.857 176.870 0.005 0.000 1.074 504 L CA 1.956 56.778 54.840 -0.029 0.000 0.760 504 L CB -0.898 41.123 42.059 -0.064 0.000 0.889 504 L HN 0.171 nan 8.230 nan 0.000 0.433 505 E N -0.308 119.907 120.200 0.026 0.000 2.038 505 E HA -0.271 4.080 4.350 0.001 0.000 0.195 505 E C 2.328 178.947 176.600 0.031 0.000 1.000 505 E CA 1.324 57.744 56.400 0.033 0.000 0.803 505 E CB -0.323 29.402 29.700 0.042 0.000 0.750 505 E HN 0.447 nan 8.360 nan 0.000 0.448 506 R N 0.342 120.860 120.500 0.030 0.000 2.127 506 R HA -0.161 4.180 4.340 0.001 0.000 0.238 506 R C 2.370 178.684 176.300 0.024 0.000 1.134 506 R CA 0.896 57.013 56.100 0.028 0.000 0.975 506 R CB -0.266 30.053 30.300 0.032 0.000 0.865 506 R HN 0.091 nan 8.270 nan 0.000 0.447 507 L N 1.071 122.313 121.223 0.032 0.000 2.027 507 L HA -0.116 4.225 4.340 0.001 0.000 0.206 507 L C 1.618 178.568 176.870 0.134 0.000 1.074 507 L CA 1.861 56.736 54.840 0.058 0.000 0.745 507 L CB -0.374 41.721 42.059 0.060 0.000 0.898 507 L HN 0.050 nan 8.230 nan 0.000 0.433 508 K N -0.388 120.068 120.400 0.093 0.000 2.032 508 K HA -0.208 4.113 4.320 0.001 0.000 0.209 508 K C 2.081 178.742 176.600 0.102 0.000 1.048 508 K CA 1.757 58.102 56.287 0.097 0.000 0.927 508 K CB -0.251 32.267 32.500 0.029 0.000 0.712 508 K HN 0.317 nan 8.250 nan 0.000 0.441 509 K N 0.634 121.069 120.400 0.058 0.000 2.113 509 K HA -0.152 4.169 4.320 0.001 0.000 0.208 509 K C 2.232 178.854 176.600 0.036 0.000 1.047 509 K CA 1.122 57.437 56.287 0.046 0.000 0.928 509 K CB -0.101 32.418 32.500 0.032 0.000 0.716 509 K HN 0.146 nan 8.250 nan 0.000 0.446 510 R N -0.017 120.473 120.500 -0.017 0.000 2.080 510 R HA -0.160 4.181 4.340 0.001 0.000 0.236 510 R C 2.169 178.357 176.300 -0.188 0.000 1.137 510 R CA 1.812 57.828 56.100 -0.140 0.000 0.943 510 R CB -0.397 29.694 30.300 -0.349 0.000 0.846 510 R HN 0.324 nan 8.270 nan 0.000 0.431 511 Y N 0.059 120.271 120.300 -0.146 0.000 2.516 511 Y HA -0.003 4.547 4.550 0.001 0.000 0.291 511 Y C 2.054 177.957 175.900 0.005 0.000 1.131 511 Y CA 0.506 58.476 58.100 -0.217 0.000 1.281 511 Y CB -0.055 38.248 38.460 -0.262 0.000 1.013 511 Y HN 0.051 nan 8.280 nan 0.000 0.554 512 I N -1.768 118.900 120.570 0.163 0.000 2.584 512 I HA -0.198 3.973 4.170 0.001 0.000 0.255 512 I C 2.455 178.665 176.117 0.155 0.000 1.145 512 I CA 0.851 62.235 61.300 0.140 0.000 1.462 512 I CB -0.327 37.726 38.000 0.088 0.000 1.102 512 I HN 0.054 nan 8.210 nan 0.000 0.433 513 S N -0.037 115.752 115.700 0.149 0.000 2.440 513 S HA -0.135 4.336 4.470 0.001 0.000 0.238 513 S C 1.010 175.735 174.600 0.208 0.000 1.010 513 S CA 0.831 59.117 58.200 0.144 0.000 0.972 513 S CB -0.238 63.034 63.200 0.120 0.000 0.774 513 S HN 0.188 nan 8.310 nan 0.000 0.501 517 S N 1.307 117.087 115.700 0.133 0.000 2.369 517 S HA -0.326 4.145 4.470 0.001 0.000 0.225 517 S C 1.493 176.132 174.600 0.064 0.000 1.043 517 S CA 2.160 60.391 58.200 0.052 0.000 1.074 517 S CB -0.617 62.548 63.200 -0.057 0.000 0.962 517 S HN 0.590 nan 8.310 nan 0.000 0.433 518 D N 0.741 121.156 120.400 0.025 0.000 2.254 518 D HA -0.149 4.492 4.640 0.001 0.000 0.201 518 D C 1.350 177.572 176.300 -0.130 0.000 0.998 518 D CA 1.417 55.358 54.000 -0.099 0.000 0.885 518 D CB -0.340 40.334 40.800 -0.210 0.000 0.915 518 D HN 0.704 nan 8.370 nan 0.000 0.460 519 W N 0.802 122.081 121.300 -0.035 0.000 2.576 519 W HA 0.125 4.785 4.660 0.001 0.000 0.275 519 W C 2.631 179.157 176.519 0.012 0.000 1.241 519 W CA -0.166 57.166 57.345 -0.021 0.000 1.328 519 W CB -0.212 29.245 29.460 -0.006 0.000 1.092 519 W HN -0.147 nan 8.180 nan 0.000 0.586 520 R N 0.585 121.227 120.500 0.236 0.000 2.091 520 R HA -0.150 4.190 4.340 0.001 0.000 0.238 520 R C 1.598 177.960 176.300 0.104 0.000 1.136 520 R CA 1.729 57.918 56.100 0.148 0.000 0.959 520 R CB -0.634 29.722 30.300 0.093 0.000 0.856 520 R HN 0.182 nan 8.270 nan 0.000 0.437 521 D N 1.086 121.522 120.400 0.060 0.000 2.137 521 D HA -0.234 4.407 4.640 0.001 0.000 0.193 521 D C 1.949 178.271 176.300 0.038 0.000 0.993 521 D CA 1.097 55.110 54.000 0.022 0.000 0.846 521 D CB -0.552 40.234 40.800 -0.024 0.000 0.990 521 D HN 0.104 nan 8.370 nan 0.000 0.448 522 L N 0.763 121.990 121.223 0.006 0.000 2.058 522 L HA -0.323 4.018 4.340 0.001 0.000 0.226 522 L C 2.334 179.303 176.870 0.164 0.000 1.089 522 L CA 2.012 56.854 54.840 0.004 0.000 0.799 522 L CB -0.534 41.460 42.059 -0.109 0.000 0.900 522 L HN 0.135 nan 8.230 nan 0.000 0.442 523 T N -0.384 114.309 114.554 0.232 0.000 2.523 523 T HA -0.156 4.195 4.350 0.001 0.000 0.253 523 T C 1.808 176.587 174.700 0.131 0.000 1.139 523 T CA 1.362 63.626 62.100 0.274 0.000 1.230 523 T CB -0.627 68.390 68.868 0.248 0.000 0.871 523 T HN 0.566 nan 8.240 nan 0.000 0.396 524 A N 2.455 125.329 122.820 0.089 0.000 1.958 524 A HA -0.279 4.041 4.320 0.001 0.000 0.221 524 A C 2.206 179.803 177.584 0.021 0.000 1.178 524 A CA 2.135 54.197 52.037 0.042 0.000 0.642 524 A CB -1.183 17.840 19.000 0.039 0.000 0.816 524 A HN 0.582 nan 8.150 nan 0.000 0.453 525 N N 0.018 118.738 118.700 0.034 0.000 2.036 525 N HA -0.167 4.574 4.740 0.001 0.000 0.199 525 N C 0.805 176.310 175.510 -0.007 0.000 1.036 525 N CA 1.644 54.705 53.050 0.019 0.000 0.870 525 N CB -0.296 38.207 38.487 0.028 0.000 1.055 525 N HN 0.525 nan 8.380 nan 0.000 0.436 545 I N 2.677 123.317 120.570 0.118 0.000 2.233 545 I HA -0.156 4.014 4.170 0.001 0.000 0.243 545 I C 2.486 178.912 176.117 0.515 0.000 1.093 545 I CA 2.193 63.665 61.300 0.286 0.000 1.380 545 I CB -1.068 37.050 38.000 0.197 0.000 1.067 545 I HN 0.540 nan 8.210 nan 0.000 0.413 546 K N 1.369 122.060 120.400 0.484 0.000 2.020 546 K HA -0.269 4.052 4.320 0.001 0.000 0.212 546 K C 1.930 178.777 176.600 0.411 0.000 1.050 546 K CA 1.937 58.544 56.287 0.534 0.000 0.929 546 K CB -0.760 31.956 32.500 0.360 0.000 0.714 546 K HN 0.321 nan 8.250 nan 0.000 0.443 547 E N 1.666 122.029 120.200 0.272 0.000 2.065 547 E HA -0.281 4.069 4.350 0.001 0.000 0.201 547 E C 2.246 178.985 176.600 0.230 0.000 1.016 547 E CA 1.951 58.476 56.400 0.209 0.000 0.818 547 E CB -0.036 29.749 29.700 0.141 0.000 0.749 547 E HN 0.396 nan 8.360 nan 0.000 0.453 548 K N -0.560 119.978 120.400 0.230 0.000 2.152 548 K HA -0.173 4.148 4.320 0.001 0.000 0.206 548 K C 1.907 178.603 176.600 0.160 0.000 1.048 548 K CA 1.462 57.848 56.287 0.164 0.000 0.933 548 K CB -0.276 32.326 32.500 0.170 0.000 0.721 548 K HN 0.129 nan 8.250 nan 0.000 0.447 549 F N 0.828 120.982 119.950 0.339 0.000 2.060 549 F HA -0.098 4.430 4.527 0.001 0.000 0.295 549 F C 2.745 178.752 175.800 0.345 0.000 1.120 549 F CA 1.617 59.840 58.000 0.372 0.000 1.205 549 F CB -0.266 38.959 39.000 0.375 0.000 0.986 549 F HN -0.010 nan 8.300 nan 0.000 0.470 550 R N 0.948 121.746 120.500 0.497 0.000 2.136 550 R HA -0.267 4.073 4.340 0.001 0.000 0.242 550 R C 2.156 178.638 176.300 0.303 0.000 1.131 550 R CA 2.311 58.627 56.100 0.360 0.000 0.937 550 R CB -0.345 30.112 30.300 0.262 0.000 0.863 550 R HN 0.205 nan 8.270 nan 0.000 0.435 551 K N -0.690 119.855 120.400 0.241 0.000 2.077 551 K HA -0.257 4.064 4.320 0.001 0.000 0.213 551 K C 1.998 178.713 176.600 0.192 0.000 1.051 551 K CA 2.209 58.599 56.287 0.171 0.000 0.929 551 K CB -0.436 32.141 32.500 0.127 0.000 0.715 551 K HN 0.228 nan 8.250 nan 0.000 0.451 552 F N 2.319 122.346 119.950 0.127 0.000 2.074 552 F HA -0.170 4.357 4.527 0.001 0.000 0.293 552 F C 2.028 177.962 175.800 0.224 0.000 1.116 552 F CA 1.315 59.406 58.000 0.152 0.000 1.212 552 F CB -0.240 38.856 39.000 0.160 0.000 0.998 552 F HN 0.011 nan 8.300 nan 0.000 0.471 553 N N 0.790 119.832 118.700 0.571 0.000 2.037 553 N HA -0.279 4.461 4.740 0.001 0.000 0.196 553 N C 1.909 177.577 175.510 0.263 0.000 1.034 553 N CA 1.931 55.263 53.050 0.470 0.000 0.861 553 N CB -0.842 37.983 38.487 0.563 0.000 1.039 553 N HN 0.550 nan 8.380 nan 0.000 0.427 554 E N 0.168 120.494 120.200 0.210 0.000 2.017 554 E HA -0.120 4.230 4.350 0.001 0.000 0.193 554 E C 2.047 178.648 176.600 0.002 0.000 0.997 554 E CA 1.360 57.829 56.400 0.114 0.000 0.804 554 E CB -0.452 29.307 29.700 0.099 0.000 0.757 554 E HN 0.370 nan 8.360 nan 0.000 0.448 555 G N 0.218 108.991 108.800 -0.045 0.000 2.485 555 G HA2 -0.303 3.658 3.960 0.001 0.000 0.221 555 G HA3 -0.303 3.658 3.960 0.001 0.000 0.221 555 G C 1.321 176.035 174.900 -0.309 0.000 1.115 555 G CA 0.826 45.826 45.100 -0.168 0.000 0.751 555 G HN 0.350 nan 8.290 nan 0.000 0.567 556 F N 1.613 121.280 119.950 -0.472 0.000 2.060 556 F HA -0.006 4.522 4.527 0.001 0.000 0.295 556 F C 2.744 178.327 175.800 -0.361 0.000 1.120 556 F CA 2.003 59.675 58.000 -0.547 0.000 1.205 556 F CB -0.407 38.214 39.000 -0.631 0.000 0.986 556 F HN 0.290 nan 8.300 nan 0.000 0.470 557 E N -0.241 119.853 120.200 -0.177 0.000 2.114 557 E HA -0.313 4.038 4.350 0.001 0.000 0.199 557 E C 2.004 178.451 176.600 -0.255 0.000 1.008 557 E CA 1.467 57.773 56.400 -0.156 0.000 0.810 557 E CB -0.539 29.182 29.700 0.034 0.000 0.739 557 E HN 0.516 nan 8.360 nan 0.000 0.456 558 D N 1.050 121.297 120.400 -0.256 0.000 2.087 558 D HA -0.168 4.473 4.640 0.001 0.000 0.192 558 D C 2.071 178.149 176.300 -0.370 0.000 0.993 558 D CA 1.064 54.911 54.000 -0.256 0.000 0.828 558 D CB -0.071 40.596 40.800 -0.222 0.000 0.968 558 D HN 0.150 nan 8.370 nan 0.000 0.448 559 L N 0.403 121.259 121.223 -0.611 0.000 2.191 559 L HA -0.153 4.188 4.340 0.001 0.000 0.212 559 L C 2.647 179.152 176.870 -0.610 0.000 1.103 559 L CA 0.350 54.687 54.840 -0.838 0.000 0.769 559 L CB -0.199 40.834 42.059 -1.710 0.000 0.908 559 L HN 0.003 nan 8.230 nan 0.000 0.438 560 V N -0.251 119.328 119.914 -0.559 0.000 2.244 560 V HA -0.283 3.838 4.120 0.001 0.000 0.244 560 V C 2.658 178.666 176.094 -0.143 0.000 1.042 560 V CA 1.998 64.136 62.300 -0.271 0.000 1.006 560 V CB -0.834 30.795 31.823 -0.324 0.000 0.641 560 V HN 0.626 nan 8.190 nan 0.000 0.446 561 S N 0.575 116.178 115.700 -0.161 0.000 2.359 561 S HA -0.323 4.147 4.470 0.001 0.000 0.223 561 S C 1.965 176.510 174.600 -0.092 0.000 1.039 561 S CA 1.896 60.033 58.200 -0.104 0.000 1.042 561 S CB -0.619 62.520 63.200 -0.100 0.000 0.915 561 S HN 0.590 nan 8.310 nan 0.000 0.439 562 K N 0.790 121.125 120.400 -0.108 0.000 2.020 562 K HA -0.100 4.221 4.320 0.001 0.000 0.212 562 K C 2.466 179.114 176.600 0.080 0.000 1.050 562 K CA 1.937 58.202 56.287 -0.038 0.000 0.929 562 K CB -0.868 31.594 32.500 -0.063 0.000 0.714 562 K HN 0.466 nan 8.250 nan 0.000 0.443 563 T N 1.384 115.985 114.554 0.079 0.000 2.881 563 T HA -0.107 4.244 4.350 0.001 0.000 0.270 563 T C 1.455 176.243 174.700 0.146 0.000 1.068 563 T CA 1.186 63.408 62.100 0.203 0.000 1.131 563 T CB -0.051 68.973 68.868 0.261 0.000 0.871 563 T HN 0.247 nan 8.240 nan 0.000 0.479 564 K N 0.931 121.352 120.400 0.034 0.000 2.442 564 K HA -0.007 4.313 4.320 0.001 0.000 0.198 564 K C 2.242 178.779 176.600 -0.105 0.000 1.042 564 K CA 0.695 56.971 56.287 -0.019 0.000 0.958 564 K CB -0.022 32.457 32.500 -0.035 0.000 0.766 564 K HN 0.466 nan 8.250 nan 0.000 0.474 565 Q N -0.423 119.250 119.800 -0.211 0.000 2.432 565 Q HA -0.037 4.304 4.340 0.001 0.000 0.205 565 Q C -0.525 175.013 176.000 -0.771 0.000 0.945 565 Q CA 0.628 56.126 55.803 -0.507 0.000 0.924 565 Q CB 0.290 28.589 28.738 -0.731 0.000 1.016 565 Q HN 0.288 nan 8.270 nan 0.000 0.503 566 Y N 1.212 121.305 120.300 -0.344 0.000 2.345 566 Y HA 0.267 4.817 4.550 0.001 0.000 0.331 566 Y C -0.513 175.209 175.900 -0.298 0.000 0.959 566 Y CA -1.531 56.162 58.100 -0.679 0.000 1.204 566 Y CB 0.715 38.555 38.460 -1.033 0.000 1.135 566 Y HN -0.157 nan 8.280 nan 0.000 0.477 567 K N 2.482 122.863 120.400 -0.032 0.000 2.159 567 K HA 0.734 5.055 4.320 0.001 0.000 0.266 567 K C -1.514 175.301 176.600 0.359 0.000 0.975 567 K CA -0.660 55.710 56.287 0.139 0.000 0.865 567 K CB 1.234 33.781 32.500 0.077 0.000 1.087 567 K HN 0.408 nan 8.250 nan 0.000 0.446 568 L N 1.540 122.934 121.223 0.285 0.000 2.317 568 L HA 0.373 4.714 4.340 0.001 0.000 0.281 568 L C 0.400 177.344 176.870 0.122 0.000 1.024 568 L CA -0.330 54.661 54.840 0.253 0.000 0.810 568 L CB 1.999 44.179 42.059 0.201 0.000 1.240 568 L HN 0.780 nan 8.230 nan 0.000 0.427 569 S N 0.110 115.855 115.700 0.075 0.000 2.727 569 S HA 0.002 4.473 4.470 0.001 0.000 0.226 569 S C 0.095 174.705 174.600 0.018 0.000 0.963 569 S CA 0.308 58.530 58.200 0.037 0.000 0.950 569 S CB -0.682 62.525 63.200 0.012 0.000 0.779 569 S HN 0.665 nan 8.310 nan 0.000 0.532 570 D N 0.007 120.421 120.400 0.023 0.000 2.896 570 D HA 0.282 4.923 4.640 0.001 0.000 0.241 570 D C -2.400 173.913 176.300 0.022 0.000 1.188 570 D CA -2.069 51.938 54.000 0.012 0.000 0.879 570 D CB 2.286 43.083 40.800 -0.006 0.000 1.553 570 D HN -0.189 nan 8.370 nan 0.000 0.515 571 P HA -0.077 nan 4.420 nan 0.000 0.213 571 P C 1.416 178.725 177.300 0.015 0.000 1.170 571 P CA 0.980 64.090 63.100 0.016 0.000 0.893 571 P CB 0.345 32.051 31.700 0.011 0.000 0.784 572 S N 0.002 115.708 115.700 0.009 0.000 2.378 572 S HA -0.219 4.252 4.470 0.001 0.000 0.229 572 S C 1.907 176.514 174.600 0.012 0.000 1.052 572 S CA 1.479 59.684 58.200 0.008 0.000 1.084 572 S CB -1.514 61.689 63.200 0.005 0.000 0.950 572 S HN 0.092 nan 8.310 nan 0.000 0.440 573 L N 1.065 122.298 121.223 0.016 0.000 2.012 573 L HA -0.196 4.145 4.340 0.001 0.000 0.210 573 L C 2.560 179.451 176.870 0.033 0.000 1.073 573 L CA 1.487 56.343 54.840 0.026 0.000 0.748 573 L CB -0.621 41.455 42.059 0.029 0.000 0.891 573 L HN 0.294 nan 8.230 nan 0.000 0.431 574 K N -0.142 120.281 120.400 0.038 0.000 2.001 574 K HA -0.193 4.128 4.320 0.001 0.000 0.214 574 K C 2.020 178.631 176.600 0.017 0.000 1.050 574 K CA 1.776 58.086 56.287 0.038 0.000 0.934 574 K CB -0.493 32.031 32.500 0.039 0.000 0.718 574 K HN 0.091 nan 8.250 nan 0.000 0.443 575 V N 1.415 121.336 119.914 0.011 0.000 2.255 575 V HA -0.289 3.832 4.120 0.001 0.000 0.247 575 V C 2.274 178.364 176.094 -0.007 0.000 1.051 575 V CA 2.355 64.655 62.300 0.001 0.000 1.018 575 V CB -0.923 30.901 31.823 0.002 0.000 0.641 575 V HN 0.442 nan 8.190 nan 0.000 0.445 576 T N 0.276 114.830 114.554 -0.001 0.000 2.665 576 T HA -0.233 4.117 4.350 0.001 0.000 0.268 576 T C 1.911 176.602 174.700 -0.016 0.000 1.035 576 T CA 1.912 64.010 62.100 -0.004 0.000 1.151 576 T CB -0.360 68.513 68.868 0.007 0.000 0.862 576 T HN 0.312 nan 8.240 nan 0.000 0.438 577 L N 0.372 121.589 121.223 -0.009 0.000 2.093 577 L HA -0.111 4.230 4.340 0.001 0.000 0.208 577 L C 2.528 179.348 176.870 -0.084 0.000 1.085 577 L CA 1.569 56.391 54.840 -0.030 0.000 0.755 577 L CB -0.294 41.771 42.059 0.011 0.000 0.904 577 L HN 0.285 nan 8.230 nan 0.000 0.435 578 K N -0.076 120.288 120.400 -0.060 0.000 1.988 578 K HA -0.227 4.094 4.320 0.001 0.000 0.221 578 K C 2.171 178.706 176.600 -0.110 0.000 1.053 578 K CA 2.293 58.530 56.287 -0.083 0.000 0.959 578 K CB -0.413 32.062 32.500 -0.042 0.000 0.728 578 K HN 0.462 nan 8.250 nan 0.000 0.447 579 S N 1.380 117.037 115.700 -0.071 0.000 2.351 579 S HA -0.202 4.269 4.470 0.001 0.000 0.220 579 S C 1.907 176.457 174.600 -0.083 0.000 1.035 579 S CA 1.029 59.191 58.200 -0.064 0.000 1.031 579 S CB -0.502 62.677 63.200 -0.036 0.000 0.928 579 S HN 0.181 nan 8.310 nan 0.000 0.433 580 E N 1.428 121.582 120.200 -0.077 0.000 2.136 580 E HA -0.182 4.168 4.350 0.001 0.000 0.208 580 E C 2.003 178.522 176.600 -0.134 0.000 1.035 580 E CA 1.632 57.986 56.400 -0.077 0.000 0.838 580 E CB -0.542 29.123 29.700 -0.057 0.000 0.748 580 E HN 0.660 nan 8.360 nan 0.000 0.459 581 I N 0.273 120.691 120.570 -0.253 0.000 2.133 581 I HA -0.272 3.898 4.170 0.001 0.000 0.238 581 I C 2.568 178.523 176.117 -0.270 0.000 1.074 581 I CA 0.833 61.864 61.300 -0.448 0.000 1.342 581 I CB -0.385 37.095 38.000 -0.867 0.000 1.053 581 I HN 0.059 nan 8.210 nan 0.000 0.404 582 I N 1.079 121.525 120.570 -0.206 0.000 2.113 582 I HA -0.338 3.833 4.170 0.001 0.000 0.242 582 I C 2.267 178.358 176.117 -0.043 0.000 1.064 582 I CA 1.993 63.234 61.300 -0.097 0.000 1.320 582 I CB -0.544 37.414 38.000 -0.070 0.000 1.028 582 I HN 0.324 nan 8.210 nan 0.000 0.406 583 S N 0.229 115.903 115.700 -0.043 0.000 2.981 583 S HA 0.022 4.493 4.470 0.001 0.000 0.235 583 S C 0.991 175.592 174.600 0.002 0.000 0.983 583 S CA 0.377 58.569 58.200 -0.013 0.000 1.051 583 S CB -0.005 63.186 63.200 -0.014 0.000 0.814 583 S HN 0.475 nan 8.310 nan 0.000 0.518 584 L N -0.944 120.285 121.223 0.010 0.000 2.877 584 L HA 0.484 4.825 4.340 0.001 0.000 0.275 584 L C 0.179 177.110 176.870 0.101 0.000 1.027 584 L CA 0.370 55.237 54.840 0.045 0.000 1.135 584 L CB 0.027 42.105 42.059 0.032 0.000 2.080 584 L HN 0.140 nan 8.230 nan 0.000 0.560 590 E N 1.324 121.629 120.200 0.174 0.000 2.086 590 E HA -0.273 4.077 4.350 0.001 0.000 0.200 590 E C 1.774 178.424 176.600 0.084 0.000 1.012 590 E CA 1.952 58.439 56.400 0.145 0.000 0.812 590 E CB -0.173 29.593 29.700 0.110 0.000 0.743 590 E HN 0.411 nan 8.360 nan 0.000 0.453 591 R N 0.066 120.585 120.500 0.031 0.000 2.148 591 R HA -0.205 4.136 4.340 0.001 0.000 0.230 591 R C 2.322 178.569 176.300 -0.087 0.000 1.120 591 R CA 1.927 58.016 56.100 -0.018 0.000 0.902 591 R CB -0.833 29.454 30.300 -0.023 0.000 0.839 591 R HN 0.175 nan 8.270 nan 0.000 0.431 592 F N 0.800 120.564 119.950 -0.311 0.000 2.115 592 F HA -0.332 4.196 4.527 0.001 0.000 0.300 592 F C 2.231 177.819 175.800 -0.354 0.000 1.092 592 F CA 1.672 59.384 58.000 -0.480 0.000 1.245 592 F CB -0.511 38.144 39.000 -0.575 0.000 0.995 592 F HN 0.111 nan 8.300 nan 0.000 0.481 593 Y N 1.235 121.352 120.300 -0.306 0.000 2.044 593 Y HA -0.324 4.227 4.550 0.001 0.000 0.264 593 Y C 2.990 178.840 175.900 -0.083 0.000 1.111 593 Y CA 2.574 60.568 58.100 -0.178 0.000 1.088 593 Y CB -1.242 37.114 38.460 -0.174 0.000 0.981 593 Y HN 0.149 nan 8.280 nan 0.000 0.478 594 S N 0.667 116.375 115.700 0.013 0.000 2.387 594 S HA -0.308 4.163 4.470 0.001 0.000 0.230 594 S C 2.143 176.671 174.600 -0.121 0.000 1.035 594 S CA 1.474 59.636 58.200 -0.064 0.000 1.014 594 S CB -0.786 62.479 63.200 0.108 0.000 0.836 594 S HN 0.596 nan 8.310 nan 0.000 0.466 595 R N 0.855 121.266 120.500 -0.149 0.000 2.092 595 R HA -0.042 4.298 4.340 0.001 0.000 0.226 595 R C 1.555 177.856 176.300 0.001 0.000 1.140 595 R CA 1.842 57.866 56.100 -0.128 0.000 0.910 595 R CB -0.567 29.552 30.300 -0.301 0.000 0.822 595 R HN 0.614 nan 8.270 nan 0.000 0.433 596 Y N 0.798 120.886 120.300 -0.352 0.000 2.471 596 Y HA -0.016 4.534 4.550 0.001 0.000 0.321 596 Y C 1.974 177.825 175.900 -0.083 0.000 1.195 596 Y CA -0.451 57.483 58.100 -0.277 0.000 1.272 596 Y CB 0.127 38.278 38.460 -0.515 0.000 1.097 596 Y HN 0.336 nan 8.280 nan 0.000 0.507 597 K N 1.039 121.410 120.400 -0.048 0.000 1.991 597 K HA -0.156 4.165 4.320 0.001 0.000 0.207 597 K C 1.043 177.659 176.600 0.028 0.000 1.045 597 K CA 1.620 57.795 56.287 -0.187 0.000 0.937 597 K CB -0.036 32.176 32.500 -0.480 0.000 0.720 597 K HN 0.238 nan 8.250 nan 0.000 0.438 598 D N 0.895 121.306 120.400 0.018 0.000 2.403 598 D HA -0.061 4.579 4.640 0.001 0.000 0.227 598 D C 1.146 177.494 176.300 0.081 0.000 0.995 598 D CA 0.565 54.593 54.000 0.047 0.000 0.928 598 D CB 0.153 40.959 40.800 0.010 0.000 0.887 598 D HN 0.201 nan 8.370 nan 0.000 0.529 599 S N 0.061 115.836 115.700 0.124 0.000 2.603 599 S HA 0.002 4.473 4.470 0.001 0.000 0.229 599 S C 0.524 174.988 174.600 -0.227 0.000 0.972 599 S CA 0.349 58.497 58.200 -0.087 0.000 0.935 599 S CB 0.088 63.146 63.200 -0.236 0.000 0.769 599 S HN 0.118 nan 8.310 nan 0.000 0.536 600 F N 0.620 120.550 119.950 -0.033 0.000 2.697 600 F HA 0.523 5.051 4.527 0.001 0.000 0.386 600 F C 1.448 177.254 175.800 0.010 0.000 1.154 600 F CA -1.321 56.679 58.000 -0.000 0.000 1.108 600 F CB 0.634 39.681 39.000 0.078 0.000 1.429 600 F HN -0.365 nan 8.300 nan 0.000 0.509 601 K N -0.482 120.086 120.400 0.279 0.000 2.190 601 K HA 0.081 4.401 4.320 0.001 0.000 0.202 601 K C -0.076 176.592 176.600 0.114 0.000 1.045 601 K CA 0.742 57.118 56.287 0.148 0.000 0.976 601 K CB 0.118 32.690 32.500 0.121 0.000 0.849 601 K HN 0.321 nan 8.250 nan 0.000 0.468 602 N N 0.516 119.289 118.700 0.122 0.000 2.690 602 N HA 0.191 4.932 4.740 0.001 0.000 0.255 602 N C -2.556 172.903 175.510 -0.085 0.000 1.195 602 N CA -1.992 51.064 53.050 0.010 0.000 0.790 602 N CB 1.475 39.951 38.487 -0.018 0.000 1.216 602 N HN -0.243 nan 8.380 nan 0.000 0.528 603 P HA -0.188 nan 4.420 nan 0.000 0.218 603 P C 0.871 177.982 177.300 -0.314 0.000 1.154 603 P CA 1.206 64.119 63.100 -0.312 0.000 0.872 603 P CB 0.329 31.870 31.700 -0.265 0.000 0.790 604 R N -0.203 120.179 120.500 -0.197 0.000 2.371 604 R HA -0.104 4.237 4.340 0.001 0.000 0.226 604 R C 1.640 177.803 176.300 -0.228 0.000 1.132 604 R CA 1.080 57.079 56.100 -0.168 0.000 1.027 604 R CB -0.953 29.282 30.300 -0.109 0.000 0.848 604 R HN 0.426 nan 8.270 nan 0.000 0.479 605 K N -0.803 119.387 120.400 -0.351 0.000 2.172 605 K HA 0.080 4.400 4.320 0.001 0.000 0.203 605 K C 1.666 177.945 176.600 -0.536 0.000 1.040 605 K CA 0.531 56.528 56.287 -0.484 0.000 0.974 605 K CB 0.052 32.124 32.500 -0.713 0.000 0.857 605 K HN 0.258 nan 8.250 nan 0.000 0.464 606 H N -0.089 118.838 119.070 -0.239 0.000 2.520 606 H HA 0.175 4.732 4.556 0.001 0.000 0.279 606 H C 0.306 175.424 175.328 -0.350 0.000 0.990 606 H CA 0.303 56.202 56.048 -0.248 0.000 1.288 606 H CB 0.292 29.895 29.762 -0.265 0.000 1.446 606 H HN 0.010 nan 8.280 nan 0.000 0.538 607 I N 1.682 121.975 120.570 -0.462 0.000 2.331 607 I HA 0.070 4.240 4.170 0.001 0.000 0.292 607 I C 1.566 177.571 176.117 -0.186 0.000 0.998 607 I CA -0.019 60.987 61.300 -0.489 0.000 1.267 607 I CB 2.237 39.804 38.000 -0.722 0.000 1.386 607 I HN -0.065 nan 8.210 nan 0.000 0.476 608 K N 5.009 125.392 120.400 -0.027 0.000 2.029 608 K HA 0.050 4.371 4.320 0.001 0.000 0.205 608 K C -0.165 176.335 176.600 -0.167 0.000 1.042 608 K CA 0.985 57.222 56.287 -0.083 0.000 0.949 608 K CB 0.140 32.636 32.500 -0.005 0.000 0.740 608 K HN 0.434 nan 8.250 nan 0.000 0.442 609 Y N 0.802 121.152 120.300 0.083 0.000 2.352 609 Y HA 0.217 4.768 4.550 0.001 0.000 0.326 609 Y C -0.114 175.798 175.900 0.021 0.000 1.166 609 Y CA -0.518 57.587 58.100 0.007 0.000 1.182 609 Y CB 1.978 40.374 38.460 -0.107 0.000 1.216 609 Y HN -0.118 nan 8.280 nan 0.000 0.474 610 T N 5.408 119.982 114.554 0.034 0.000 2.794 610 T HA 0.150 4.501 4.350 0.001 0.000 0.280 610 T C -1.652 172.881 174.700 -0.278 0.000 0.987 610 T CA -1.545 60.426 62.100 -0.216 0.000 0.993 610 T CB 1.470 70.258 68.868 -0.133 0.000 0.939 610 T HN 0.469 nan 8.240 nan 0.000 0.449 611 P HA -0.237 nan 4.420 nan 0.000 0.218 611 P C 0.846 178.052 177.300 -0.157 0.000 1.154 611 P CA 1.521 64.497 63.100 -0.206 0.000 0.872 611 P CB 0.307 31.918 31.700 -0.149 0.000 0.790 612 D N 0.205 120.519 120.400 -0.143 0.000 2.097 612 D HA -0.153 4.488 4.640 0.001 0.000 0.195 612 D C 2.061 178.331 176.300 -0.049 0.000 0.989 612 D CA 1.138 55.095 54.000 -0.071 0.000 0.827 612 D CB -0.408 40.360 40.800 -0.053 0.000 0.966 612 D HN 0.390 nan 8.370 nan 0.000 0.456 613 E N 0.780 120.954 120.200 -0.044 0.000 2.038 613 E HA -0.141 4.210 4.350 0.001 0.000 0.195 613 E C 2.531 179.146 176.600 0.025 0.000 1.000 613 E CA 0.503 56.916 56.400 0.021 0.000 0.803 613 E CB -0.209 29.534 29.700 0.072 0.000 0.750 613 E HN 0.215 nan 8.360 nan 0.000 0.448 614 L N 0.840 122.015 121.223 -0.079 0.000 2.021 614 L HA -0.254 4.087 4.340 0.001 0.000 0.215 614 L C 2.639 179.470 176.870 -0.066 0.000 1.074 614 L CA 1.489 56.192 54.840 -0.229 0.000 0.760 614 L CB -0.790 40.918 42.059 -0.585 0.000 0.889 614 L HN 0.213 nan 8.230 nan 0.000 0.433 615 T N -1.270 113.249 114.554 -0.058 0.000 2.737 615 T HA -0.198 4.153 4.350 0.001 0.000 0.269 615 T C 1.829 176.540 174.700 0.018 0.000 1.040 615 T CA 1.908 64.001 62.100 -0.013 0.000 1.142 615 T CB -0.276 68.582 68.868 -0.017 0.000 0.861 615 T HN 0.427 nan 8.240 nan 0.000 0.456 616 T N 1.710 116.280 114.554 0.027 0.000 2.732 616 T HA -0.041 4.310 4.350 0.001 0.000 0.261 616 T C 2.250 176.992 174.700 0.071 0.000 1.040 616 T CA 0.946 63.071 62.100 0.042 0.000 1.145 616 T CB -0.569 68.325 68.868 0.044 0.000 0.866 616 T HN 0.185 nan 8.240 nan 0.000 0.427 617 V N 2.107 122.086 119.914 0.109 0.000 2.278 617 V HA -0.197 3.924 4.120 0.001 0.000 0.251 617 V C 2.498 178.680 176.094 0.148 0.000 1.062 617 V CA 1.669 64.067 62.300 0.162 0.000 1.038 617 V CB -0.902 31.081 31.823 0.268 0.000 0.646 617 V HN 0.442 nan 8.190 nan 0.000 0.447 618 L N 0.079 121.395 121.223 0.154 0.000 2.275 618 L HA -0.104 4.237 4.340 0.001 0.000 0.215 618 L C 2.247 179.135 176.870 0.031 0.000 1.119 618 L CA 1.106 56.002 54.840 0.094 0.000 0.790 618 L CB -0.604 41.495 42.059 0.066 0.000 0.919 618 L HN 0.418 nan 8.230 nan 0.000 0.443 619 N N -0.158 118.563 118.700 0.035 0.000 2.446 619 N HA -0.095 4.646 4.740 0.001 0.000 0.179 619 N C 1.476 177.001 175.510 0.024 0.000 1.054 619 N CA 0.635 53.696 53.050 0.019 0.000 0.905 619 N CB 0.162 38.660 38.487 0.017 0.000 0.973 619 N HN 0.516 nan 8.380 nan 0.000 0.448 620 Q N 0.131 119.954 119.800 0.039 0.000 2.444 620 Q HA 0.141 4.482 4.340 0.001 0.000 0.206 620 Q C 0.776 176.796 176.000 0.033 0.000 0.948 620 Q CA 0.167 55.992 55.803 0.037 0.000 0.946 620 Q CB 0.240 29.007 28.738 0.048 0.000 1.027 620 Q HN 0.299 nan 8.270 nan 0.000 0.513 621 L N 1.103 122.344 121.223 0.031 0.000 2.855 621 L HA 0.020 4.361 4.340 0.001 0.000 0.245 621 L C 1.376 178.262 176.870 0.026 0.000 1.276 621 L CA -0.068 54.790 54.840 0.031 0.000 1.118 621 L CB 0.019 42.093 42.059 0.026 0.000 1.444 621 L HN 0.095 nan 8.230 nan 0.000 0.440 622 V N -0.808 119.120 119.914 0.024 0.000 3.471 622 V HA 0.112 4.233 4.120 0.001 0.000 0.258 622 V C 1.610 177.720 176.094 0.027 0.000 1.192 622 V CA 0.245 62.559 62.300 0.023 0.000 1.116 622 V CB 0.048 31.882 31.823 0.018 0.000 0.792 622 V HN 0.438 nan 8.190 nan 0.000 0.459 623 R N 0.000 120.515 120.500 0.025 0.000 2.786 623 R HA 0.000 4.341 4.340 0.001 0.000 0.208 623 R CA 0.000 56.112 56.100 0.021 0.000 0.921 623 R CB 0.000 30.308 30.300 0.014 0.000 0.687 623 R HN 0.000 nan 8.270 nan 0.000 0.535