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 3gqa_1_A DATA FIRST_RESID 88 DATA SEQUENCE HFADLVIQVI DELKQFGVSV KTYGAKGDGV TDDIRAFEKA IESGFPVYVP DATA SEQUENCE YGTFMVSRGI KLPSNTVLTG AGKRNAVIRF MDSVGRGESL MYNENVTTGN DATA SEQUENCE ENIFLSSFTL DGNNKRLGQG ISGIGGSRES NLSIRACHNV YIRDIEAVDC DATA SEQUENCE TLHGIDITCG GLDYPYLGDG TTAPNPSENI WIENCEATGF GDDGITTHHS DATA SEQUENCE QYINILNCYS HDPRLTANCN GFEIDDGSRH VVLSNNRSKG CYGGIEIKAH DATA SEQUENCE GDAPAAYNIS INGHMSVEDV RSYNFRHIGH HAATAPQSVS AKNIVASNLV DATA SEQUENCE SIRPNNKRGF QDNATPRVLA VSAYYGVVIN GLTGYTDDPN LLTETVVSVQ DATA SEQUENCE FRARNCSLNG VVLTGFSNSE NGIYVIGGSR GGDAVNISNV TLNNSGRYGV DATA SEQUENCE SIGSGIENVS ITNISGIGDG INSPVALVST INSNPEISGL SSIGYPTVAR DATA SEQUENCE VAGTDYNDGL TLFNGAFRAS TTSSGKIHSE GFIMGSTSGC EASVSKSGVL DATA SEQUENCE TSSSSKTSSE RSLIAGSSTS EAKGTYNTIL GSLGAVADEQ FAALISASQS DATA SEQUENCE RASGNHNLIL SSYGINTTGS YKVNGGFEKI NWELDSLNGR IKARDTVTGG DATA SEQUENCE NTWS 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 88 H HA 0.000 nan 4.556 nan 0.000 0.296 88 H C 0.000 175.380 175.328 0.086 0.000 0.993 88 H CA 0.000 56.085 56.048 0.062 0.000 1.023 88 H CB 0.000 29.799 29.762 0.062 0.000 1.292 89 F N 2.970 122.921 119.950 0.000 0.000 2.113 89 F HA 0.223 4.750 4.527 0.000 0.000 0.297 89 F C 2.676 178.477 175.800 0.001 0.000 1.103 89 F CA 2.995 60.995 58.000 0.000 0.000 1.248 89 F CB -0.783 38.217 39.000 0.001 0.000 0.999 89 F HN 0.475 nan 8.300 nan 0.000 0.475 90 A N 0.370 123.074 122.820 -0.193 0.000 1.917 90 A HA -0.241 4.079 4.320 0.000 0.000 0.219 90 A C 1.901 179.344 177.584 -0.235 0.000 1.182 90 A CA 2.189 54.057 52.037 -0.281 0.000 0.633 90 A CB -1.213 17.760 19.000 -0.045 0.000 0.819 90 A HN 0.503 nan 8.150 nan 0.000 0.448 91 D N -0.062 120.261 120.400 -0.129 0.000 2.149 91 D HA -0.123 4.517 4.640 0.000 0.000 0.198 91 D C 1.877 178.098 176.300 -0.132 0.000 0.990 91 D CA 0.912 54.852 54.000 -0.100 0.000 0.839 91 D CB -0.312 40.458 40.800 -0.050 0.000 0.948 91 D HN 0.450 nan 8.370 nan 0.000 0.460 92 L N 0.095 121.220 121.223 -0.164 0.000 2.056 92 L HA -0.128 4.212 4.340 0.000 0.000 0.207 92 L C 2.407 179.149 176.870 -0.213 0.000 1.078 92 L CA 0.600 55.346 54.840 -0.156 0.000 0.749 92 L CB -0.303 41.691 42.059 -0.109 0.000 0.901 92 L HN -0.009 nan 8.230 nan 0.000 0.433 93 V N 0.403 120.094 119.914 -0.371 0.000 2.261 93 V HA -0.322 3.798 4.120 0.000 0.000 0.246 93 V C 2.358 178.341 176.094 -0.185 0.000 1.047 93 V CA 1.927 64.031 62.300 -0.327 0.000 1.015 93 V CB -0.327 31.201 31.823 -0.492 0.000 0.642 93 V HN 0.304 nan 8.190 nan 0.000 0.446 94 I N -0.365 120.105 120.570 -0.167 0.000 2.151 94 I HA -0.372 3.798 4.170 0.000 0.000 0.243 94 I C 2.734 178.796 176.117 -0.092 0.000 1.080 94 I CA 1.785 63.025 61.300 -0.101 0.000 1.339 94 I CB -0.492 37.459 38.000 -0.082 0.000 1.039 94 I HN 0.407 nan 8.210 nan 0.000 0.409 95 Q N -0.020 119.719 119.800 -0.102 0.000 2.152 95 Q HA -0.199 4.141 4.340 0.000 0.000 0.206 95 Q C 2.421 178.369 176.000 -0.086 0.000 0.985 95 Q CA 1.719 57.466 55.803 -0.094 0.000 0.863 95 Q CB -0.186 28.500 28.738 -0.086 0.000 0.904 95 Q HN 0.440 nan 8.270 nan 0.000 0.422 96 V N 0.873 120.737 119.914 -0.084 0.000 2.307 96 V HA -0.252 3.868 4.120 0.000 0.000 0.245 96 V C 2.167 178.224 176.094 -0.063 0.000 1.045 96 V CA 1.512 63.770 62.300 -0.069 0.000 1.024 96 V CB -0.469 31.315 31.823 -0.066 0.000 0.651 96 V HN 0.319 nan 8.190 nan 0.000 0.449 97 I N 0.519 121.054 120.570 -0.059 0.000 2.151 97 I HA -0.299 3.871 4.170 0.000 0.000 0.243 97 I C 2.280 178.374 176.117 -0.038 0.000 1.080 97 I CA 1.910 63.187 61.300 -0.039 0.000 1.339 97 I CB -0.596 37.392 38.000 -0.019 0.000 1.039 97 I HN 0.323 nan 8.210 nan 0.000 0.409 98 D N 0.520 120.888 120.400 -0.053 0.000 2.149 98 D HA -0.200 4.440 4.640 0.000 0.000 0.198 98 D C 2.083 178.322 176.300 -0.101 0.000 0.990 98 D CA 1.135 55.092 54.000 -0.072 0.000 0.839 98 D CB -0.274 40.462 40.800 -0.105 0.000 0.948 98 D HN 0.397 nan 8.370 nan 0.000 0.460 99 E N -0.177 119.965 120.200 -0.097 0.000 2.204 99 E HA -0.053 4.297 4.350 0.000 0.000 0.194 99 E C 2.103 178.651 176.600 -0.087 0.000 0.989 99 E CA 0.094 56.434 56.400 -0.099 0.000 0.824 99 E CB 0.020 29.674 29.700 -0.076 0.000 0.756 99 E HN 0.265 nan 8.360 nan 0.000 0.477 100 L N 0.512 121.691 121.223 -0.073 0.000 2.201 100 L HA -0.115 4.225 4.340 0.000 0.000 0.212 100 L C 0.435 177.256 176.870 -0.082 0.000 1.105 100 L CA 0.785 55.582 54.840 -0.071 0.000 0.775 100 L CB -0.156 41.863 42.059 -0.067 0.000 0.913 100 L HN 0.063 nan 8.230 nan 0.000 0.440 101 K N 0.481 120.832 120.400 -0.081 0.000 3.451 101 K HA -0.264 4.056 4.320 0.000 0.000 0.273 101 K C 0.890 177.438 176.600 -0.087 0.000 0.944 101 K CA 0.109 56.350 56.287 -0.077 0.000 0.734 101 K CB -0.974 31.454 32.500 -0.120 0.000 1.437 101 K HN 0.458 nan 8.250 nan 0.000 0.454 102 Q N -0.641 119.078 119.800 -0.134 0.000 2.230 102 Q HA -0.101 4.239 4.340 0.000 0.000 0.202 102 Q C 0.953 176.655 176.000 -0.497 0.000 0.963 102 Q CA 1.298 56.895 55.803 -0.344 0.000 0.866 102 Q CB 0.069 28.511 28.738 -0.493 0.000 0.931 102 Q HN 0.555 nan 8.270 nan 0.000 0.452 103 F N -1.158 118.666 119.950 -0.209 0.000 2.706 103 F HA 0.328 4.855 4.527 0.000 0.000 0.308 103 F C 1.235 176.978 175.800 -0.095 0.000 1.095 103 F CA 0.324 58.161 58.000 -0.273 0.000 1.244 103 F CB 1.106 39.679 39.000 -0.713 0.000 1.063 103 F HN 0.087 nan 8.300 nan 0.000 0.582 104 G N 0.527 109.390 108.800 0.104 0.000 2.460 104 G HA2 -0.000 3.960 3.960 0.000 0.000 0.207 104 G HA3 -0.000 3.960 3.960 0.000 0.000 0.207 104 G C -1.097 173.846 174.900 0.072 0.000 1.170 104 G CA -0.580 44.590 45.100 0.117 0.000 1.151 104 G HN 0.485 nan 8.290 nan 0.000 0.575 105 V N -1.589 118.380 119.914 0.092 0.000 2.435 105 V HA 0.816 4.936 4.120 0.000 0.000 0.290 105 V C 0.630 176.802 176.094 0.129 0.000 1.030 105 V CA 0.305 62.647 62.300 0.071 0.000 0.881 105 V CB 1.118 33.000 31.823 0.098 0.000 0.983 105 V HN 1.894 nan 8.190 nan 0.000 0.445 106 S N 3.111 118.883 115.700 0.120 0.000 2.565 106 S HA 0.256 4.726 4.470 0.000 0.000 0.276 106 S C 1.262 175.868 174.600 0.011 0.000 1.326 106 S CA -0.114 58.132 58.200 0.077 0.000 1.045 106 S CB 1.380 64.638 63.200 0.097 0.000 0.918 106 S HN 1.756 nan 8.310 nan 0.000 0.505 107 V N 3.833 123.622 119.914 -0.208 0.000 2.568 107 V HA -0.105 4.015 4.120 0.000 0.000 0.253 107 V C 2.066 178.107 176.094 -0.089 0.000 1.072 107 V CA 1.538 63.645 62.300 -0.322 0.000 1.084 107 V CB -0.930 30.306 31.823 -0.978 0.000 0.676 107 V HN 0.867 nan 8.190 nan 0.000 0.469 108 K N 0.534 120.916 120.400 -0.030 0.000 2.148 108 K HA -0.081 4.239 4.320 0.000 0.000 0.204 108 K C 2.255 178.862 176.600 0.011 0.000 1.050 108 K CA 1.673 57.988 56.287 0.047 0.000 0.942 108 K CB -0.520 32.028 32.500 0.079 0.000 0.724 108 K HN 0.580 nan 8.250 nan 0.000 0.446 109 T N 0.540 115.081 114.554 -0.021 0.000 2.778 109 T HA -0.166 4.184 4.350 0.000 0.000 0.269 109 T C 1.098 175.627 174.700 -0.286 0.000 1.050 109 T CA 1.382 63.383 62.100 -0.164 0.000 1.137 109 T CB -0.224 68.503 68.868 -0.234 0.000 0.860 109 T HN 0.252 nan 8.240 nan 0.000 0.468 110 Y N 0.309 120.574 120.300 -0.058 0.000 2.493 110 Y HA 0.436 4.986 4.550 0.000 0.000 0.275 110 Y C 1.769 177.659 175.900 -0.017 0.000 1.183 110 Y CA -0.199 57.877 58.100 -0.041 0.000 1.258 110 Y CB 0.152 38.579 38.460 -0.056 0.000 1.108 110 Y HN 0.309 nan 8.280 nan 0.000 0.521 111 G N -0.538 108.310 108.800 0.080 0.000 2.168 111 G HA2 -0.126 3.834 3.960 0.000 0.000 0.197 111 G HA3 -0.126 3.834 3.960 0.000 0.000 0.197 111 G C 0.279 175.237 174.900 0.097 0.000 0.997 111 G CA -0.376 44.766 45.100 0.071 0.000 0.658 111 G HN 0.538 nan 8.290 nan 0.000 0.513 112 A N 0.228 123.120 122.820 0.121 0.000 2.511 112 A HA 0.624 4.944 4.320 0.000 0.000 0.242 112 A C 1.417 179.110 177.584 0.183 0.000 1.069 112 A CA 0.937 53.099 52.037 0.207 0.000 0.763 112 A CB 0.483 19.634 19.000 0.252 0.000 1.001 112 A HN 0.156 nan 8.150 nan 0.000 0.498 113 K N 1.885 122.363 120.400 0.131 0.000 2.168 113 K HA 0.131 4.451 4.320 0.000 0.000 0.201 113 K C 1.271 177.762 176.600 -0.182 0.000 1.049 113 K CA 0.974 57.265 56.287 0.006 0.000 0.974 113 K CB -0.381 32.111 32.500 -0.014 0.000 0.792 113 K HN 1.664 nan 8.250 nan 0.000 0.463 114 G N 4.090 112.636 108.800 -0.424 0.000 2.314 114 G HA2 -0.224 3.736 3.960 0.000 0.000 0.292 114 G HA3 -0.224 3.736 3.960 0.000 0.000 0.292 114 G C -0.142 174.351 174.900 -0.678 0.000 1.059 114 G CA 0.850 45.198 45.100 -1.253 0.000 0.982 114 G HN 0.455 nan 8.290 nan 0.000 0.505 115 D N -1.616 118.572 120.400 -0.354 0.000 2.440 115 D HA 0.392 5.032 4.640 0.000 0.000 0.216 115 D C 1.733 177.940 176.300 -0.153 0.000 1.150 115 D CA 0.265 54.140 54.000 -0.208 0.000 0.832 115 D CB -0.303 40.430 40.800 -0.112 0.000 0.992 115 D HN 1.418 nan 8.370 nan 0.000 0.502 116 G N -0.421 108.273 108.800 -0.177 0.000 2.189 116 G HA2 -0.331 3.629 3.960 0.000 0.000 0.267 116 G HA3 -0.331 3.629 3.960 0.000 0.000 0.267 116 G C 0.824 175.691 174.900 -0.055 0.000 0.975 116 G CA 0.730 45.768 45.100 -0.103 0.000 0.644 116 G HN 0.420 nan 8.290 nan 0.000 0.537 117 V N -0.709 119.174 119.914 -0.051 0.000 3.141 117 V HA 0.212 4.332 4.120 0.000 0.000 0.225 117 V C 1.524 177.613 176.094 -0.009 0.000 1.352 117 V CA 1.336 63.623 62.300 -0.022 0.000 1.316 117 V CB 0.037 31.849 31.823 -0.018 0.000 1.126 117 V HN 0.304 nan 8.190 nan 0.000 0.493 118 T N 2.103 116.650 114.554 -0.012 0.000 2.901 118 T HA 0.140 4.490 4.350 0.000 0.000 0.301 118 T C -0.272 174.448 174.700 0.033 0.000 1.012 118 T CA 0.263 62.370 62.100 0.012 0.000 1.135 118 T CB 0.714 69.590 68.868 0.014 0.000 0.936 118 T HN 0.308 nan 8.240 nan 0.000 0.539 119 D N 1.877 122.304 120.400 0.044 0.000 2.342 119 D HA 0.045 4.685 4.640 0.000 0.000 0.260 119 D C 0.198 176.555 176.300 0.095 0.000 1.278 119 D CA -0.329 53.707 54.000 0.061 0.000 0.910 119 D CB 0.419 41.250 40.800 0.050 0.000 1.079 119 D HN 0.326 nan 8.370 nan 0.000 0.496 120 D N 3.737 124.220 120.400 0.138 0.000 2.342 120 D HA -0.027 4.613 4.640 0.000 0.000 0.221 120 D C 1.774 178.233 176.300 0.266 0.000 1.101 120 D CA -0.245 53.899 54.000 0.240 0.000 0.837 120 D CB 0.314 41.370 40.800 0.427 0.000 0.938 120 D HN 0.428 nan 8.370 nan 0.000 0.508 121 I N 1.271 121.925 120.570 0.139 0.000 2.208 121 I HA -0.266 3.904 4.170 0.000 0.000 0.245 121 I C 1.996 178.196 176.117 0.138 0.000 1.097 121 I CA 1.489 62.850 61.300 0.102 0.000 1.363 121 I CB 0.154 38.182 38.000 0.047 0.000 1.051 121 I HN -0.187 nan 8.210 nan 0.000 0.413 122 R N 0.677 121.247 120.500 0.117 0.000 2.092 122 R HA -0.002 4.338 4.340 0.000 0.000 0.231 122 R C 2.256 178.615 176.300 0.098 0.000 1.119 122 R CA 1.351 57.506 56.100 0.091 0.000 0.970 122 R CB -1.337 29.009 30.300 0.078 0.000 0.864 122 R HN 0.508 nan 8.270 nan 0.000 0.440 123 A N 0.422 123.323 122.820 0.135 0.000 1.877 123 A HA -0.144 4.176 4.320 0.000 0.000 0.216 123 A C 2.091 179.655 177.584 -0.034 0.000 1.186 123 A CA 1.181 53.276 52.037 0.096 0.000 0.620 123 A CB -0.695 18.370 19.000 0.110 0.000 0.822 123 A HN 0.184 nan 8.150 nan 0.000 0.443 124 F N 0.301 120.202 119.950 -0.081 0.000 2.095 124 F HA -0.173 4.354 4.527 0.000 0.000 0.298 124 F C 2.509 178.212 175.800 -0.161 0.000 1.104 124 F CA 2.033 59.944 58.000 -0.150 0.000 1.232 124 F CB -0.482 38.425 39.000 -0.155 0.000 0.987 124 F HN 0.318 nan 8.300 nan 0.000 0.475 125 E N 0.035 120.275 120.200 0.067 0.000 2.058 125 E HA -0.236 4.114 4.350 0.000 0.000 0.194 125 E C 2.147 178.691 176.600 -0.092 0.000 0.997 125 E CA 1.433 57.825 56.400 -0.014 0.000 0.801 125 E CB -0.192 29.511 29.700 0.005 0.000 0.746 125 E HN 0.407 nan 8.360 nan 0.000 0.450 126 K N 0.542 120.870 120.400 -0.120 0.000 2.002 126 K HA -0.142 4.179 4.320 0.000 0.000 0.209 126 K C 2.279 178.529 176.600 -0.582 0.000 1.048 126 K CA 1.151 57.306 56.287 -0.219 0.000 0.930 126 K CB -0.236 32.232 32.500 -0.054 0.000 0.714 126 K HN 0.054 nan 8.250 nan 0.000 0.438 127 A N 1.490 123.793 122.820 -0.862 0.000 1.892 127 A HA -0.200 4.120 4.320 0.000 0.000 0.218 127 A C 2.146 179.495 177.584 -0.392 0.000 1.188 127 A CA 1.605 53.076 52.037 -0.943 0.000 0.631 127 A CB -0.712 17.908 19.000 -0.633 0.000 0.822 127 A HN 0.231 nan 8.150 nan 0.000 0.447 128 I N 0.104 120.527 120.570 -0.246 0.000 2.394 128 I HA -0.227 3.943 4.170 0.000 0.000 0.251 128 I C 2.442 178.505 176.117 -0.090 0.000 1.136 128 I CA 1.600 62.828 61.300 -0.118 0.000 1.425 128 I CB -0.267 37.690 38.000 -0.071 0.000 1.079 128 I HN 0.660 nan 8.210 nan 0.000 0.425 129 E N 0.592 120.727 120.200 -0.109 0.000 2.481 129 E HA -0.103 4.247 4.350 0.000 0.000 0.195 129 E C 1.897 178.466 176.600 -0.051 0.000 1.047 129 E CA 0.937 57.296 56.400 -0.068 0.000 0.867 129 E CB -0.111 29.557 29.700 -0.054 0.000 0.858 129 E HN 0.446 nan 8.360 nan 0.000 0.513 130 S N 0.171 115.840 115.700 -0.052 0.000 2.453 130 S HA 0.099 4.569 4.470 0.000 0.000 0.231 130 S C 1.847 176.428 174.600 -0.032 0.000 1.005 130 S CA 0.683 58.917 58.200 0.058 0.000 0.949 130 S CB -0.244 63.092 63.200 0.226 0.000 0.774 130 S HN 0.614 nan 8.310 nan 0.000 0.510 131 G N -0.086 108.665 108.800 -0.081 0.000 2.195 131 G HA2 -0.226 3.734 3.960 0.000 0.000 0.246 131 G HA3 -0.226 3.734 3.960 0.000 0.000 0.246 131 G C -0.041 174.710 174.900 -0.249 0.000 0.984 131 G CA 0.144 45.126 45.100 -0.197 0.000 0.633 131 G HN 0.523 nan 8.290 nan 0.000 0.525 132 F N 1.618 121.578 119.950 0.017 0.000 2.377 132 F HA 0.571 5.098 4.527 0.000 0.000 0.328 132 F C -1.582 174.239 175.800 0.035 0.000 1.094 132 F CA -2.293 55.728 58.000 0.035 0.000 1.093 132 F CB 0.875 39.910 39.000 0.058 0.000 1.214 132 F HN -0.183 nan 8.300 nan 0.000 0.518 133 P HA 0.067 nan 4.420 nan 0.000 0.265 133 P C -0.990 176.419 177.300 0.182 0.000 1.193 133 P CA 0.011 63.224 63.100 0.188 0.000 0.765 133 P CB 0.501 32.302 31.700 0.169 0.000 0.823 134 V N 4.387 124.377 119.914 0.128 0.000 2.483 134 V HA 0.308 4.428 4.120 0.000 0.000 0.295 134 V C -0.512 175.640 176.094 0.096 0.000 1.035 134 V CA -0.481 61.856 62.300 0.061 0.000 0.896 134 V CB 1.011 32.800 31.823 -0.056 0.000 0.986 134 V HN 0.413 nan 8.190 nan 0.000 0.447 135 Y N 4.103 124.350 120.300 -0.089 0.000 2.393 135 Y HA 0.697 5.247 4.550 0.000 0.000 0.341 135 Y C -0.513 175.220 175.900 -0.278 0.000 0.988 135 Y CA -0.945 57.075 58.100 -0.134 0.000 1.078 135 Y CB 1.992 40.379 38.460 -0.121 0.000 1.203 135 Y HN 0.377 nan 8.280 nan 0.000 0.453 136 V N 9.049 128.400 119.914 -0.938 0.000 2.334 136 V HA 0.421 4.541 4.120 0.000 0.000 0.281 136 V C -2.182 173.255 176.094 -1.095 0.000 1.016 136 V CA -1.656 60.078 62.300 -0.944 0.000 0.832 136 V CB 0.944 32.334 31.823 -0.722 0.000 0.999 136 V HN 0.693 nan 8.190 nan 0.000 0.439 137 P HA 0.198 nan 4.420 nan 0.000 0.306 137 P C -0.599 176.737 177.300 0.060 0.000 1.309 137 P CA -0.726 62.160 63.100 -0.357 0.000 0.759 137 P CB 0.688 32.366 31.700 -0.036 0.000 1.314 138 Y N 0.205 120.546 120.300 0.068 0.000 2.811 138 Y HA 0.331 4.881 4.550 0.000 0.000 0.334 138 Y C 0.523 176.498 175.900 0.124 0.000 1.247 138 Y CA 1.957 60.121 58.100 0.106 0.000 1.526 138 Y CB -0.664 37.835 38.460 0.064 0.000 1.284 138 Y HN 0.838 nan 8.280 nan 0.000 0.586 139 G N 3.197 111.397 108.800 -1.001 0.000 2.353 139 G HA2 0.206 4.166 3.960 0.000 0.000 0.308 139 G HA3 0.206 4.166 3.960 0.000 0.000 0.308 139 G C -1.509 172.980 174.900 -0.686 0.000 1.418 139 G CA -0.704 43.695 45.100 -1.168 0.000 0.966 139 G HN 0.662 nan 8.290 nan 0.000 0.638 140 T N 1.343 115.502 114.554 -0.658 0.000 2.801 140 T HA 0.546 4.896 4.350 0.000 0.000 0.306 140 T C -0.740 173.718 174.700 -0.403 0.000 1.020 140 T CA 0.015 61.918 62.100 -0.328 0.000 0.948 140 T CB 0.201 68.954 68.868 -0.191 0.000 0.962 140 T HN 0.356 nan 8.240 nan 0.000 0.465 141 F N 4.102 124.005 119.950 -0.079 0.000 2.350 141 F HA 0.427 4.954 4.527 0.000 0.000 0.365 141 F C 0.630 176.370 175.800 -0.099 0.000 1.122 141 F CA -1.161 56.819 58.000 -0.034 0.000 1.139 141 F CB 0.675 39.734 39.000 0.099 0.000 1.220 141 F HN 0.191 nan 8.300 nan 0.000 0.499 142 M N 3.489 123.121 119.600 0.053 0.000 2.235 142 M HA 0.415 4.895 4.480 0.000 0.000 0.351 142 M C -0.498 175.813 176.300 0.020 0.000 1.178 142 M CA -0.538 54.775 55.300 0.022 0.000 1.143 142 M CB 1.417 34.028 32.600 0.018 0.000 1.530 142 M HN 0.267 nan 8.290 nan 0.000 0.461 143 V N 2.196 122.123 119.914 0.023 0.000 2.686 143 V HA 0.303 4.423 4.120 0.000 0.000 0.306 143 V C 0.665 176.855 176.094 0.161 0.000 1.065 143 V CA -0.228 62.086 62.300 0.023 0.000 0.894 143 V CB 2.398 34.129 31.823 -0.152 0.000 1.004 143 V HN 1.048 nan 8.190 nan 0.000 0.424 144 S N 5.015 120.784 115.700 0.116 0.000 2.548 144 S HA 0.248 4.718 4.470 0.000 0.000 0.215 144 S C 0.502 175.162 174.600 0.100 0.000 0.976 144 S CA -0.186 58.069 58.200 0.092 0.000 0.908 144 S CB 0.053 63.279 63.200 0.044 0.000 0.781 144 S HN 0.840 nan 8.310 nan 0.000 0.519 145 R N -1.015 119.601 120.500 0.193 0.000 2.752 145 R HA 0.672 5.012 4.340 0.000 0.000 0.271 145 R C 0.006 176.526 176.300 0.368 0.000 1.026 145 R CA -0.788 55.459 56.100 0.245 0.000 0.901 145 R CB 0.034 30.405 30.300 0.119 0.000 1.243 145 R HN 0.021 nan 8.270 nan 0.000 0.463 146 G N 0.989 110.035 108.800 0.410 0.000 2.484 146 G HA2 0.291 4.251 3.960 0.000 0.000 0.235 146 G HA3 0.291 4.251 3.960 0.000 0.000 0.235 146 G C -0.118 174.774 174.900 -0.013 0.000 1.282 146 G CA -0.686 44.589 45.100 0.292 0.000 0.857 146 G HN 0.427 nan 8.290 nan 0.000 0.571 147 I N 1.765 122.236 120.570 -0.166 0.000 2.301 147 I HA 0.155 4.325 4.170 0.000 0.000 0.292 147 I C 0.454 176.355 176.117 -0.360 0.000 1.046 147 I CA -0.100 61.059 61.300 -0.234 0.000 1.282 147 I CB 0.883 38.724 38.000 -0.266 0.000 1.409 147 I HN 0.277 nan 8.210 nan 0.000 0.484 148 K N 7.401 127.585 120.400 -0.360 0.000 2.183 148 K HA 0.578 4.898 4.320 0.000 0.000 0.274 148 K C -0.926 175.535 176.600 -0.232 0.000 1.009 148 K CA -0.564 55.449 56.287 -0.457 0.000 0.888 148 K CB 1.585 33.859 32.500 -0.377 0.000 1.078 148 K HN 0.487 nan 8.250 nan 0.000 0.459 149 L N 5.664 126.772 121.223 -0.192 0.000 2.287 149 L HA 0.412 4.752 4.340 0.000 0.000 0.287 149 L C -2.011 174.823 176.870 -0.061 0.000 1.022 149 L CA -2.100 52.687 54.840 -0.089 0.000 0.814 149 L CB 1.241 43.272 42.059 -0.048 0.000 1.217 149 L HN 0.441 nan 8.230 nan 0.000 0.420 150 P HA 0.211 nan 4.420 nan 0.000 0.282 150 P C -0.375 176.913 177.300 -0.021 0.000 1.287 150 P CA -0.540 62.542 63.100 -0.030 0.000 0.792 150 P CB 0.895 32.578 31.700 -0.029 0.000 1.163 151 S N 0.214 115.905 115.700 -0.015 0.000 2.584 151 S HA 0.056 4.526 4.470 0.000 0.000 0.270 151 S C 0.485 175.085 174.600 0.001 0.000 1.346 151 S CA -0.033 58.160 58.200 -0.012 0.000 1.018 151 S CB -0.910 62.286 63.200 -0.006 0.000 0.899 151 S HN 0.538 nan 8.310 nan 0.000 0.542 152 N N 0.639 119.347 118.700 0.012 0.000 2.727 152 N HA -0.138 4.602 4.740 0.000 0.000 0.251 152 N C -0.865 174.695 175.510 0.084 0.000 1.040 152 N CA 0.700 53.793 53.050 0.073 0.000 0.712 152 N CB -1.538 36.989 38.487 0.066 0.000 0.912 152 N HN 0.490 nan 8.380 nan 0.000 0.545 153 T N 0.421 115.012 114.554 0.063 0.000 2.794 153 T HA 0.503 4.853 4.350 0.000 0.000 0.280 153 T C 0.411 175.229 174.700 0.196 0.000 0.987 153 T CA -0.407 61.746 62.100 0.088 0.000 0.993 153 T CB 2.399 71.289 68.868 0.037 0.000 0.939 153 T HN -0.041 nan 8.240 nan 0.000 0.449 154 V N 4.935 124.978 119.914 0.214 0.000 2.378 154 V HA 0.526 4.646 4.120 0.000 0.000 0.288 154 V C -0.755 175.454 176.094 0.192 0.000 1.016 154 V CA -0.777 61.682 62.300 0.264 0.000 0.840 154 V CB 1.323 33.281 31.823 0.224 0.000 0.994 154 V HN 0.628 nan 8.190 nan 0.000 0.431 155 L N 5.504 126.857 121.223 0.217 0.000 2.372 155 L HA 0.791 5.131 4.340 0.000 0.000 0.273 155 L C -0.196 176.847 176.870 0.289 0.000 0.989 155 L CA 0.302 55.251 54.840 0.182 0.000 0.841 155 L CB 1.934 44.073 42.059 0.133 0.000 1.225 155 L HN 0.765 nan 8.230 nan 0.000 0.414 156 T N 2.475 117.174 114.554 0.241 0.000 2.876 156 T HA 0.880 5.230 4.350 0.000 0.000 0.289 156 T C -0.075 174.739 174.700 0.189 0.000 1.014 156 T CA 0.017 62.300 62.100 0.306 0.000 0.986 156 T CB 1.386 70.431 68.868 0.296 0.000 1.021 156 T HN 0.792 nan 8.240 nan 0.000 0.458 157 G N 0.858 109.810 108.800 0.253 0.000 2.601 157 G HA2 0.623 4.583 3.960 0.000 0.000 0.317 157 G HA3 0.623 4.583 3.960 0.000 0.000 0.317 157 G C 0.946 175.865 174.900 0.031 0.000 1.246 157 G CA -0.337 44.764 45.100 0.001 0.000 1.012 157 G HN 1.071 nan 8.290 nan 0.000 0.494 158 A N -1.453 121.320 122.820 -0.077 0.000 2.168 158 A HA 0.536 4.856 4.320 0.000 0.000 0.215 158 A C 1.328 179.010 177.584 0.163 0.000 1.152 158 A CA 1.560 53.668 52.037 0.118 0.000 0.716 158 A CB -0.738 18.327 19.000 0.107 0.000 0.794 158 A HN 2.393 nan 8.150 nan 0.000 0.465 159 G N -1.171 107.722 108.800 0.156 0.000 2.334 159 G HA2 0.151 4.111 3.960 0.000 0.000 0.566 159 G HA3 0.151 4.111 3.960 0.000 0.000 0.566 159 G C -0.925 174.064 174.900 0.147 0.000 1.413 159 G CA -0.803 44.384 45.100 0.145 0.000 0.993 159 G HN 0.292 nan 8.290 nan 0.000 0.642 160 K N 0.719 121.189 120.400 0.116 0.000 2.524 160 K HA 0.285 4.605 4.320 0.000 0.000 0.279 160 K C 1.070 177.747 176.600 0.128 0.000 0.993 160 K CA 0.631 56.986 56.287 0.114 0.000 1.030 160 K CB 0.198 32.752 32.500 0.091 0.000 0.891 160 K HN 0.707 nan 8.250 nan 0.000 0.488 161 R N 0.339 120.918 120.500 0.133 0.000 3.863 161 R HA -0.284 4.056 4.340 0.000 0.000 0.313 161 R C 0.468 176.868 176.300 0.168 0.000 1.202 161 R CA 0.852 57.032 56.100 0.133 0.000 0.852 161 R CB -1.576 28.795 30.300 0.117 0.000 1.292 161 R HN 0.753 nan 8.270 nan 0.000 0.519 162 N N -0.013 118.799 118.700 0.187 0.000 3.166 162 N HA 0.143 4.883 4.740 0.000 0.000 0.242 162 N C -0.482 175.154 175.510 0.211 0.000 1.017 162 N CA 0.936 54.143 53.050 0.261 0.000 1.113 162 N CB 0.350 38.971 38.487 0.224 0.000 1.629 162 N HN 0.218 nan 8.380 nan 0.000 0.601 163 A N 2.022 124.948 122.820 0.176 0.000 2.302 163 A HA 0.601 4.921 4.320 0.000 0.000 0.295 163 A C -0.698 177.004 177.584 0.197 0.000 1.235 163 A CA -0.283 51.855 52.037 0.168 0.000 0.876 163 A CB 0.273 19.317 19.000 0.073 0.000 1.133 163 A HN 0.074 nan 8.150 nan 0.000 0.533 164 V N 4.721 124.752 119.914 0.195 0.000 2.531 164 V HA 0.419 4.539 4.120 0.000 0.000 0.301 164 V C -0.297 175.888 176.094 0.152 0.000 1.034 164 V CA -0.250 62.139 62.300 0.149 0.000 0.865 164 V CB 1.550 33.420 31.823 0.078 0.000 0.995 164 V HN 0.772 nan 8.190 nan 0.000 0.424 165 I N 4.867 125.473 120.570 0.060 0.000 2.404 165 I HA 0.666 4.836 4.170 0.000 0.000 0.293 165 I C -0.106 175.956 176.117 -0.092 0.000 0.992 165 I CA -0.527 60.729 61.300 -0.073 0.000 1.149 165 I CB 1.776 39.612 38.000 -0.273 0.000 1.315 165 I HN 0.555 nan 8.210 nan 0.000 0.446 166 R N 5.829 126.265 120.500 -0.107 0.000 2.548 166 R HA 0.449 4.789 4.340 0.000 0.000 0.280 166 R C -1.444 174.849 176.300 -0.012 0.000 1.061 166 R CA -0.600 55.466 56.100 -0.057 0.000 0.915 166 R CB 1.670 31.971 30.300 0.003 0.000 1.210 166 R HN 0.432 nan 8.270 nan 0.000 0.442 167 F N 4.188 124.122 119.950 -0.026 0.000 2.572 167 F HA 0.110 4.637 4.527 0.000 0.000 0.370 167 F C 1.124 176.912 175.800 -0.020 0.000 1.103 167 F CA -0.067 57.919 58.000 -0.025 0.000 1.286 167 F CB 0.838 39.832 39.000 -0.011 0.000 1.105 167 F HN 0.302 nan 8.300 nan 0.000 0.583 168 M N 3.167 122.898 119.600 0.219 0.000 2.240 168 M HA -0.042 4.438 4.480 0.000 0.000 0.333 168 M C 1.094 177.417 176.300 0.038 0.000 1.110 168 M CA -0.175 55.177 55.300 0.087 0.000 1.173 168 M CB 0.435 33.067 32.600 0.055 0.000 1.458 168 M HN 0.553 nan 8.290 nan 0.000 0.458 169 D N 0.321 120.733 120.400 0.020 0.000 2.190 169 D HA -0.133 4.507 4.640 0.000 0.000 0.200 169 D C 1.786 178.068 176.300 -0.030 0.000 0.992 169 D CA 1.852 55.852 54.000 -0.001 0.000 0.854 169 D CB -0.110 40.690 40.800 0.000 0.000 0.936 169 D HN 0.684 nan 8.370 nan 0.000 0.462 170 S N -0.473 115.206 115.700 -0.034 0.000 2.593 170 S HA 0.065 4.535 4.470 0.000 0.000 0.217 170 S C 0.846 175.392 174.600 -0.090 0.000 0.966 170 S CA -0.405 57.765 58.200 -0.050 0.000 0.914 170 S CB -0.050 63.131 63.200 -0.032 0.000 0.776 170 S HN -0.087 nan 8.310 nan 0.000 0.523 171 V N 2.682 122.510 119.914 -0.144 0.000 2.599 171 V HA 0.425 4.545 4.120 0.000 0.000 0.300 171 V C 1.518 177.461 176.094 -0.252 0.000 1.034 171 V CA 0.162 62.302 62.300 -0.267 0.000 1.115 171 V CB 0.106 31.582 31.823 -0.578 0.000 0.934 171 V HN 0.503 nan 8.190 nan 0.000 0.485 172 G N 5.494 114.168 108.800 -0.210 0.000 2.514 172 G HA2 0.334 4.294 3.960 0.000 0.000 0.245 172 G HA3 0.334 4.294 3.960 0.000 0.000 0.245 172 G C -0.013 174.776 174.900 -0.186 0.000 1.488 172 G CA -0.605 44.399 45.100 -0.159 0.000 1.063 172 G HN 0.544 nan 8.290 nan 0.000 0.557 173 R N -1.118 119.306 120.500 -0.126 0.000 2.668 173 R HA 0.585 4.925 4.340 0.000 0.000 0.279 173 R C 0.614 176.858 176.300 -0.093 0.000 0.976 173 R CA -0.010 56.025 56.100 -0.107 0.000 0.978 173 R CB 0.955 31.209 30.300 -0.075 0.000 1.133 173 R HN 1.208 nan 8.270 nan 0.000 0.484 174 G N 0.672 109.423 108.800 -0.082 0.000 2.336 174 G HA2 -0.180 3.780 3.960 0.000 0.000 0.194 174 G HA3 -0.180 3.780 3.960 0.000 0.000 0.194 174 G C -0.183 174.668 174.900 -0.081 0.000 0.999 174 G CA -0.434 44.620 45.100 -0.076 0.000 0.669 174 G HN 0.459 nan 8.290 nan 0.000 0.482 175 E N 0.972 121.150 120.200 -0.037 0.000 2.199 175 E HA 0.589 4.939 4.350 0.000 0.000 0.269 175 E C -0.342 176.339 176.600 0.135 0.000 0.899 175 E CA -0.499 55.909 56.400 0.014 0.000 0.772 175 E CB 1.712 31.534 29.700 0.203 0.000 1.155 175 E HN 0.155 nan 8.360 nan 0.000 0.408 176 S N 2.195 117.893 115.700 -0.004 0.000 2.584 176 S HA 0.035 4.505 4.470 0.000 0.000 0.270 176 S C 1.274 176.050 174.600 0.293 0.000 1.346 176 S CA -0.360 57.920 58.200 0.134 0.000 1.018 176 S CB 0.601 63.826 63.200 0.041 0.000 0.899 176 S HN 0.520 nan 8.310 nan 0.000 0.542 177 L N 0.920 122.164 121.223 0.035 0.000 2.083 177 L HA 0.127 4.467 4.340 0.000 0.000 0.209 177 L C 0.678 177.453 176.870 -0.158 0.000 1.083 177 L CA 1.322 55.891 54.840 -0.451 0.000 0.752 177 L CB -0.027 41.676 42.059 -0.593 0.000 0.899 177 L HN 0.635 nan 8.230 nan 0.000 0.433 178 M N -0.804 118.826 119.600 0.050 0.000 2.324 178 M HA 0.342 4.822 4.480 0.000 0.000 0.288 178 M C -1.968 174.461 176.300 0.215 0.000 1.097 178 M CA -0.719 54.604 55.300 0.039 0.000 0.928 178 M CB 2.085 34.687 32.600 0.004 0.000 1.648 178 M HN 0.067 nan 8.290 nan 0.000 0.460 179 Y N 1.107 121.410 120.300 0.005 0.000 2.641 179 Y HA 0.504 5.054 4.550 0.000 0.000 0.333 179 Y C -1.485 174.425 175.900 0.017 0.000 1.174 179 Y CA -1.612 56.500 58.100 0.019 0.000 1.057 179 Y CB 0.338 38.810 38.460 0.021 0.000 1.322 179 Y HN 0.833 nan 8.280 nan 0.000 0.457 180 N N 1.147 119.927 118.700 0.133 0.000 2.518 180 N HA 0.066 4.806 4.740 0.000 0.000 0.266 180 N C 0.808 176.348 175.510 0.050 0.000 1.196 180 N CA -0.211 52.864 53.050 0.041 0.000 0.947 180 N CB 1.295 39.819 38.487 0.062 0.000 1.098 180 N HN 0.891 nan 8.380 nan 0.000 0.450 181 E N 2.047 122.226 120.200 -0.035 0.000 2.065 181 E HA -0.353 3.997 4.350 0.000 0.000 0.201 181 E C -0.223 176.409 176.600 0.054 0.000 1.016 181 E CA 1.267 57.653 56.400 -0.024 0.000 0.818 181 E CB -0.220 29.456 29.700 -0.040 0.000 0.749 181 E HN 0.760 nan 8.360 nan 0.000 0.453 182 N N 0.839 119.566 118.700 0.046 0.000 2.482 182 N HA 0.021 4.761 4.740 0.000 0.000 0.242 182 N C 0.597 176.144 175.510 0.062 0.000 1.100 182 N CA -0.014 53.063 53.050 0.045 0.000 0.946 182 N CB 1.096 39.596 38.487 0.022 0.000 1.227 182 N HN -0.076 nan 8.380 nan 0.000 0.508 183 V N 2.422 122.380 119.914 0.074 0.000 2.667 183 V HA -0.156 3.964 4.120 0.000 0.000 0.252 183 V C 2.220 178.327 176.094 0.022 0.000 1.065 183 V CA 2.236 64.574 62.300 0.063 0.000 1.083 183 V CB -0.532 31.321 31.823 0.051 0.000 0.692 183 V HN 0.795 nan 8.190 nan 0.000 0.468 184 T N -2.736 111.827 114.554 0.015 0.000 3.021 184 T HA -0.069 4.281 4.350 0.000 0.000 0.245 184 T C 1.620 176.324 174.700 0.006 0.000 1.028 184 T CA 1.278 63.379 62.100 0.001 0.000 1.139 184 T CB -0.115 68.750 68.868 -0.005 0.000 0.884 184 T HN 0.519 nan 8.240 nan 0.000 0.457 185 T N -1.870 112.690 114.554 0.011 0.000 3.040 185 T HA 0.568 4.918 4.350 0.000 0.000 0.266 185 T C 1.182 175.891 174.700 0.015 0.000 1.005 185 T CA 0.400 62.506 62.100 0.010 0.000 0.906 185 T CB -0.016 68.851 68.868 -0.001 0.000 1.082 185 T HN 1.194 nan 8.240 nan 0.000 0.531 186 G N 1.296 110.111 108.800 0.026 0.000 2.728 186 G HA2 -0.078 3.882 3.960 0.000 0.000 0.294 186 G HA3 -0.078 3.882 3.960 0.000 0.000 0.294 186 G C -1.222 173.690 174.900 0.020 0.000 1.342 186 G CA -0.517 44.606 45.100 0.039 0.000 0.866 186 G HN 0.567 nan 8.290 nan 0.000 0.534 187 N N 0.164 118.882 118.700 0.031 0.000 2.761 187 N HA 0.661 5.401 4.740 0.000 0.000 0.283 187 N C -0.648 174.874 175.510 0.020 0.000 1.377 187 N CA -0.084 52.973 53.050 0.011 0.000 0.791 187 N CB 2.115 40.606 38.487 0.008 0.000 1.540 187 N HN 0.949 nan 8.380 nan 0.000 0.539 188 E N -0.629 119.573 120.200 0.004 0.000 2.383 188 E HA 0.414 4.764 4.350 0.000 0.000 0.275 188 E C -1.208 175.375 176.600 -0.027 0.000 0.918 188 E CA -0.752 55.661 56.400 0.021 0.000 0.764 188 E CB 1.385 31.103 29.700 0.030 0.000 1.252 188 E HN 0.347 nan 8.360 nan 0.000 0.449 189 N N 0.801 119.461 118.700 -0.066 0.000 2.663 189 N HA -0.150 4.590 4.740 0.000 0.000 0.263 189 N C -1.265 173.873 175.510 -0.621 0.000 1.109 189 N CA 0.804 53.693 53.050 -0.268 0.000 0.701 189 N CB -1.252 37.274 38.487 0.065 0.000 0.879 189 N HN 0.593 nan 8.380 nan 0.000 0.550 190 I N 1.130 121.255 120.570 -0.742 0.000 2.389 190 I HA 0.413 4.583 4.170 0.000 0.000 0.288 190 I C -0.360 175.379 176.117 -0.630 0.000 0.999 190 I CA -0.663 60.324 61.300 -0.522 0.000 1.129 190 I CB 0.806 38.707 38.000 -0.164 0.000 1.288 190 I HN 0.002 nan 8.210 nan 0.000 0.444 191 F N 7.083 127.129 119.950 0.160 0.000 2.434 191 F HA 0.539 5.066 4.527 0.000 0.000 0.355 191 F C -0.473 175.426 175.800 0.165 0.000 1.115 191 F CA -0.606 57.492 58.000 0.162 0.000 1.010 191 F CB 0.996 40.039 39.000 0.071 0.000 1.234 191 F HN 0.081 nan 8.300 nan 0.000 0.439 192 L N 3.264 124.666 121.223 0.299 0.000 2.333 192 L HA 0.745 5.085 4.340 0.000 0.000 0.280 192 L C -0.542 176.422 176.870 0.157 0.000 1.004 192 L CA -0.467 54.539 54.840 0.276 0.000 0.820 192 L CB 2.035 44.243 42.059 0.248 0.000 1.247 192 L HN 0.536 nan 8.230 nan 0.000 0.416 193 S N 0.341 116.136 115.700 0.158 0.000 2.536 193 S HA 0.465 4.935 4.470 0.000 0.000 0.271 193 S C -0.378 174.219 174.600 -0.007 0.000 1.134 193 S CA -0.805 57.415 58.200 0.033 0.000 0.897 193 S CB 1.893 65.169 63.200 0.127 0.000 1.094 193 S HN 0.608 nan 8.310 nan 0.000 0.473 194 S N 0.827 116.452 115.700 -0.125 0.000 3.886 194 S HA -0.116 4.354 4.470 0.000 0.000 0.398 194 S C -0.486 174.188 174.600 0.124 0.000 0.931 194 S CA 1.132 59.339 58.200 0.012 0.000 1.217 194 S CB -2.013 61.261 63.200 0.124 0.000 0.874 194 S HN 1.189 nan 8.310 nan 0.000 0.521 195 F N -2.971 117.012 119.950 0.056 0.000 2.741 195 F HA 0.790 5.317 4.527 0.000 0.000 0.313 195 F C -0.343 175.485 175.800 0.047 0.000 1.153 195 F CA -1.212 56.812 58.000 0.040 0.000 0.931 195 F CB 0.771 39.778 39.000 0.011 0.000 1.335 195 F HN -0.091 nan 8.300 nan 0.000 0.460 196 T N 2.564 117.314 114.554 0.326 0.000 2.837 196 T HA 0.652 5.002 4.350 0.000 0.000 0.285 196 T C -0.589 174.270 174.700 0.266 0.000 0.984 196 T CA -0.449 61.780 62.100 0.214 0.000 1.049 196 T CB 1.074 70.030 68.868 0.147 0.000 0.947 196 T HN 0.540 nan 8.240 nan 0.000 0.472 197 L N 3.357 124.690 121.223 0.182 0.000 2.298 197 L HA 0.429 4.769 4.340 0.000 0.000 0.284 197 L C -0.222 176.678 176.870 0.050 0.000 1.013 197 L CA -0.796 54.111 54.840 0.112 0.000 0.824 197 L CB 1.212 43.340 42.059 0.115 0.000 1.221 197 L HN 0.540 nan 8.230 nan 0.000 0.418 198 D N 2.458 122.868 120.400 0.016 0.000 2.441 198 D HA 0.237 4.877 4.640 0.000 0.000 0.231 198 D C 0.992 177.298 176.300 0.009 0.000 1.073 198 D CA -0.402 53.613 54.000 0.025 0.000 0.850 198 D CB 2.085 42.905 40.800 0.034 0.000 1.062 198 D HN 0.603 nan 8.370 nan 0.000 0.524 199 G N 3.156 111.980 108.800 0.039 0.000 2.679 199 G HA2 -0.200 3.760 3.960 0.000 0.000 0.212 199 G HA3 -0.200 3.760 3.960 0.000 0.000 0.212 199 G C 0.866 175.891 174.900 0.208 0.000 1.137 199 G CA -0.096 45.064 45.100 0.099 0.000 0.787 199 G HN 0.856 nan 8.290 nan 0.000 0.534 200 N N -0.180 118.599 118.700 0.132 0.000 2.705 200 N HA -0.285 4.455 4.740 0.000 0.000 0.255 200 N C 1.221 176.793 175.510 0.104 0.000 1.008 200 N CA 0.473 53.593 53.050 0.117 0.000 0.742 200 N CB -0.888 37.685 38.487 0.143 0.000 0.906 200 N HN 0.468 nan 8.380 nan 0.000 0.541 201 N N 0.677 119.428 118.700 0.084 0.000 2.223 201 N HA -0.117 4.623 4.740 0.000 0.000 0.185 201 N C 1.481 177.009 175.510 0.029 0.000 1.016 201 N CA 1.490 54.574 53.050 0.057 0.000 0.863 201 N CB 0.093 38.609 38.487 0.048 0.000 0.983 201 N HN 0.379 nan 8.380 nan 0.000 0.429 202 K N 0.285 120.701 120.400 0.026 0.000 2.144 202 K HA -0.258 4.062 4.320 0.000 0.000 0.209 202 K C 1.987 178.591 176.600 0.008 0.000 1.047 202 K CA 1.814 58.109 56.287 0.013 0.000 0.927 202 K CB -0.217 32.293 32.500 0.016 0.000 0.716 202 K HN 0.449 nan 8.250 nan 0.000 0.454 203 R N 0.858 121.364 120.500 0.011 0.000 2.200 203 R HA -0.135 4.205 4.340 0.000 0.000 0.234 203 R C 1.479 177.771 176.300 -0.014 0.000 1.127 203 R CA 1.317 57.416 56.100 -0.002 0.000 0.989 203 R CB -0.372 29.926 30.300 -0.004 0.000 0.869 203 R HN 0.207 nan 8.270 nan 0.000 0.459 204 L N 0.680 121.895 121.223 -0.013 0.000 2.592 204 L HA 0.298 4.638 4.340 0.000 0.000 0.227 204 L C 0.803 177.663 176.870 -0.017 0.000 1.127 204 L CA 0.263 55.090 54.840 -0.021 0.000 0.884 204 L CB -0.045 42.001 42.059 -0.022 0.000 1.065 204 L HN 0.560 nan 8.230 nan 0.000 0.457 205 G N 0.133 108.926 108.800 -0.012 0.000 2.756 205 G HA2 -0.157 3.803 3.960 0.000 0.000 0.678 205 G HA3 -0.157 3.803 3.960 0.000 0.000 0.678 205 G C -0.766 174.126 174.900 -0.012 0.000 1.349 205 G CA -0.872 44.221 45.100 -0.012 0.000 0.847 205 G HN 0.020 nan 8.290 nan 0.000 0.548 206 Q N -0.050 119.742 119.800 -0.014 0.000 2.221 206 Q HA 0.581 4.921 4.340 0.000 0.000 0.242 206 Q C 1.299 177.288 176.000 -0.018 0.000 0.940 206 Q CA 0.708 56.501 55.803 -0.016 0.000 0.896 206 Q CB 1.061 29.787 28.738 -0.019 0.000 1.226 206 Q HN 2.516 nan 8.270 nan 0.000 0.463 207 G N 0.998 109.786 108.800 -0.020 0.000 2.141 207 G HA2 -0.232 3.728 3.960 0.000 0.000 0.242 207 G HA3 -0.232 3.728 3.960 0.000 0.000 0.242 207 G C 0.050 174.942 174.900 -0.014 0.000 0.982 207 G CA -0.054 45.033 45.100 -0.020 0.000 0.662 207 G HN 0.451 nan 8.290 nan 0.000 0.527 208 I N 0.876 121.440 120.570 -0.010 0.000 2.437 208 I HA 0.630 4.800 4.170 0.000 0.000 0.298 208 I C 0.565 176.682 176.117 0.000 0.000 0.984 208 I CA -0.471 60.824 61.300 -0.007 0.000 1.214 208 I CB 1.855 39.848 38.000 -0.011 0.000 1.365 208 I HN 0.146 nan 8.210 nan 0.000 0.469 209 S N 2.800 118.499 115.700 -0.000 0.000 2.823 209 S HA 0.690 5.160 4.470 0.000 0.000 0.316 209 S C -0.044 174.549 174.600 -0.012 0.000 1.116 209 S CA -0.511 57.690 58.200 0.002 0.000 0.911 209 S CB 1.564 64.772 63.200 0.012 0.000 1.276 209 S HN 0.758 nan 8.310 nan 0.000 0.565 210 G N 0.851 109.635 108.800 -0.027 0.000 2.484 210 G HA2 0.242 4.202 3.960 0.000 0.000 0.235 210 G HA3 0.242 4.202 3.960 0.000 0.000 0.235 210 G C 0.640 175.520 174.900 -0.033 0.000 1.282 210 G CA -0.165 44.911 45.100 -0.041 0.000 0.857 210 G HN 0.745 nan 8.290 nan 0.000 0.571 211 I N 0.743 121.288 120.570 -0.041 0.000 2.928 211 I HA 0.270 4.440 4.170 0.000 0.000 0.266 211 I C 1.108 177.201 176.117 -0.040 0.000 1.234 211 I CA 1.161 62.437 61.300 -0.040 0.000 1.483 211 I CB -0.088 37.884 38.000 -0.047 0.000 1.097 211 I HN 0.684 nan 8.210 nan 0.000 0.455 212 G N -0.605 108.166 108.800 -0.047 0.000 2.270 212 G HA2 0.407 4.367 3.960 0.000 0.000 0.295 212 G HA3 0.407 4.367 3.960 0.000 0.000 0.295 212 G C -0.080 174.772 174.900 -0.079 0.000 1.732 212 G CA -0.481 44.592 45.100 -0.044 0.000 0.909 212 G HN 0.540 nan 8.290 nan 0.000 0.730 213 G N 1.355 110.123 108.800 -0.053 0.000 2.574 213 G HA2 0.011 3.971 3.960 0.000 0.000 0.286 213 G HA3 0.011 3.971 3.960 0.000 0.000 0.286 213 G C 1.655 176.365 174.900 -0.317 0.000 1.212 213 G CA 1.434 46.417 45.100 -0.196 0.000 0.979 213 G HN 2.357 nan 8.290 nan 0.000 0.557 214 S N 0.527 115.848 115.700 -0.631 0.000 2.634 214 S HA 0.329 4.799 4.470 0.000 0.000 0.221 214 S C 0.957 175.438 174.600 -0.199 0.000 0.952 214 S CA 0.592 58.523 58.200 -0.448 0.000 0.930 214 S CB 0.054 62.887 63.200 -0.613 0.000 0.780 214 S HN 0.725 nan 8.310 nan 0.000 0.498 215 R N 1.710 122.097 120.500 -0.189 0.000 2.543 215 R HA 0.270 4.610 4.340 0.000 0.000 0.277 215 R C 0.087 176.332 176.300 -0.091 0.000 1.074 215 R CA 0.244 56.254 56.100 -0.152 0.000 1.076 215 R CB -0.031 30.186 30.300 -0.138 0.000 0.993 215 R HN 0.452 nan 8.270 nan 0.000 0.459 216 E N -0.677 119.489 120.200 -0.056 0.000 3.169 216 E HA -0.153 4.197 4.350 0.000 0.000 0.305 216 E C -0.778 175.848 176.600 0.044 0.000 0.912 216 E CA 0.176 56.590 56.400 0.022 0.000 1.029 216 E CB -1.250 28.456 29.700 0.010 0.000 1.514 216 E HN 0.553 nan 8.360 nan 0.000 0.412 217 S N 0.227 115.949 115.700 0.038 0.000 2.614 217 S HA 0.195 4.665 4.470 0.000 0.000 0.265 217 S C 1.235 175.888 174.600 0.089 0.000 1.303 217 S CA -0.493 57.753 58.200 0.077 0.000 1.000 217 S CB 0.759 64.040 63.200 0.135 0.000 0.935 217 S HN 0.213 nan 8.310 nan 0.000 0.551 218 N N 0.046 118.795 118.700 0.083 0.000 2.120 218 N HA 0.012 4.752 4.740 0.000 0.000 0.188 218 N C -0.144 175.402 175.510 0.061 0.000 1.024 218 N CA 0.834 53.914 53.050 0.050 0.000 0.852 218 N CB -0.249 38.267 38.487 0.048 0.000 1.003 218 N HN 0.370 nan 8.380 nan 0.000 0.424 219 L N -0.397 120.879 121.223 0.089 0.000 2.439 219 L HA 0.497 4.837 4.340 0.000 0.000 0.270 219 L C -1.290 175.653 176.870 0.122 0.000 0.972 219 L CA -0.348 54.557 54.840 0.110 0.000 0.836 219 L CB 2.013 44.131 42.059 0.099 0.000 1.255 219 L HN -0.246 nan 8.230 nan 0.000 0.404 220 S N 6.148 121.938 115.700 0.150 0.000 2.561 220 S HA 0.736 5.206 4.470 0.000 0.000 0.303 220 S C -0.888 173.799 174.600 0.145 0.000 1.110 220 S CA -0.489 57.792 58.200 0.135 0.000 1.034 220 S CB 1.411 64.662 63.200 0.085 0.000 1.010 220 S HN 0.425 nan 8.310 nan 0.000 0.482 221 I N 3.724 124.363 120.570 0.114 0.000 2.410 221 I HA 0.429 4.599 4.170 0.000 0.000 0.286 221 I C -0.136 176.034 176.117 0.089 0.000 1.009 221 I CA -0.455 60.904 61.300 0.099 0.000 1.111 221 I CB 1.468 39.512 38.000 0.073 0.000 1.262 221 I HN 0.526 nan 8.210 nan 0.000 0.443 222 R N 4.601 125.153 120.500 0.087 0.000 2.476 222 R HA 0.628 4.968 4.340 0.000 0.000 0.305 222 R C 0.471 176.814 176.300 0.072 0.000 0.965 222 R CA -0.599 55.543 56.100 0.069 0.000 0.867 222 R CB 1.946 32.273 30.300 0.046 0.000 1.176 222 R HN 0.742 nan 8.270 nan 0.000 0.447 223 A N 1.075 123.939 122.820 0.074 0.000 2.860 223 A HA -0.207 4.113 4.320 0.000 0.000 0.267 223 A C 0.054 177.736 177.584 0.163 0.000 1.421 223 A CA 0.792 52.889 52.037 0.099 0.000 0.831 223 A CB -2.286 16.758 19.000 0.073 0.000 1.041 223 A HN 0.708 nan 8.150 nan 0.000 0.623 224 C N 0.208 119.596 119.300 0.146 0.000 2.364 224 C HA 0.694 5.154 4.460 0.000 0.000 0.356 224 C C 0.577 175.719 174.990 0.254 0.000 1.201 224 C CA -0.486 58.640 59.018 0.180 0.000 2.227 224 C CB 0.593 28.388 27.740 0.092 0.000 2.387 224 C HN 0.605 nan 8.230 nan 0.000 0.546 225 H N 2.429 121.515 119.070 0.027 0.000 2.489 225 H HA 0.270 4.826 4.556 0.000 0.000 0.343 225 H C -0.609 174.754 175.328 0.059 0.000 1.086 225 H CA -0.396 55.682 56.048 0.051 0.000 1.198 225 H CB 1.118 30.920 29.762 0.065 0.000 1.490 225 H HN 0.783 nan 8.280 nan 0.000 0.504 226 N N 1.429 120.235 118.700 0.177 0.000 2.681 226 N HA -0.147 4.593 4.740 0.000 0.000 0.265 226 N C -1.270 174.319 175.510 0.131 0.000 1.157 226 N CA 0.245 53.429 53.050 0.224 0.000 0.674 226 N CB -1.352 37.312 38.487 0.296 0.000 0.887 226 N HN 0.226 nan 8.380 nan 0.000 0.557 227 V N 1.730 121.685 119.914 0.068 0.000 2.487 227 V HA 0.495 4.615 4.120 0.000 0.000 0.298 227 V C -0.440 175.701 176.094 0.079 0.000 1.028 227 V CA -0.652 61.675 62.300 0.045 0.000 0.860 227 V CB 1.494 33.328 31.823 0.018 0.000 0.991 227 V HN 0.252 nan 8.190 nan 0.000 0.427 228 Y N 4.750 125.144 120.300 0.157 0.000 2.328 228 Y HA 0.672 5.222 4.550 0.000 0.000 0.333 228 Y C -0.030 175.983 175.900 0.188 0.000 0.958 228 Y CA -0.909 57.349 58.100 0.263 0.000 1.167 228 Y CB 1.716 40.382 38.460 0.343 0.000 1.151 228 Y HN 0.472 nan 8.280 nan 0.000 0.470 229 I N 5.136 125.861 120.570 0.258 0.000 2.411 229 I HA 0.516 4.686 4.170 0.000 0.000 0.284 229 I C -0.532 175.663 176.117 0.131 0.000 1.012 229 I CA -0.560 60.831 61.300 0.152 0.000 1.119 229 I CB 1.010 39.068 38.000 0.096 0.000 1.261 229 I HN 0.473 nan 8.210 nan 0.000 0.448 230 R N 4.905 125.456 120.500 0.086 0.000 2.628 230 R HA 0.340 4.680 4.340 0.000 0.000 0.288 230 R C -0.901 175.394 176.300 -0.008 0.000 0.980 230 R CA -0.946 55.198 56.100 0.073 0.000 0.891 230 R CB 1.773 32.139 30.300 0.109 0.000 1.188 230 R HN 0.535 nan 8.270 nan 0.000 0.450 231 D N 1.735 122.142 120.400 0.012 0.000 2.708 231 D HA -0.169 4.471 4.640 0.000 0.000 0.236 231 D C -0.444 175.793 176.300 -0.106 0.000 1.146 231 D CA 1.122 55.116 54.000 -0.009 0.000 0.662 231 D CB -0.386 40.424 40.800 0.017 0.000 1.059 231 D HN 0.266 nan 8.370 nan 0.000 0.428 232 I N 0.876 121.364 120.570 -0.137 0.000 2.359 232 I HA 0.217 4.387 4.170 0.000 0.000 0.294 232 I C 0.796 176.870 176.117 -0.071 0.000 0.987 232 I CA -0.398 60.761 61.300 -0.234 0.000 1.225 232 I CB 1.605 39.423 38.000 -0.304 0.000 1.366 232 I HN -0.043 nan 8.210 nan 0.000 0.466 233 E N 5.151 125.332 120.200 -0.033 0.000 2.133 233 E HA 0.630 4.980 4.350 0.000 0.000 0.274 233 E C -1.146 175.477 176.600 0.039 0.000 0.930 233 E CA -0.658 55.763 56.400 0.034 0.000 0.770 233 E CB 1.551 31.293 29.700 0.070 0.000 1.104 233 E HN 0.728 nan 8.360 nan 0.000 0.403 234 A N 4.629 127.470 122.820 0.034 0.000 2.267 234 A HA 0.517 4.837 4.320 0.000 0.000 0.315 234 A C -0.480 177.133 177.584 0.048 0.000 1.297 234 A CA -0.623 51.439 52.037 0.042 0.000 0.865 234 A CB 0.678 19.696 19.000 0.029 0.000 1.165 234 A HN 0.463 nan 8.150 nan 0.000 0.513 235 V N -0.101 119.844 119.914 0.052 0.000 2.960 235 V HA 0.775 4.895 4.120 0.000 0.000 0.315 235 V C 0.060 176.184 176.094 0.049 0.000 1.087 235 V CA -0.509 61.816 62.300 0.043 0.000 0.982 235 V CB 1.510 33.357 31.823 0.039 0.000 1.039 235 V HN 0.917 nan 8.190 nan 0.000 0.437 236 D N 0.911 121.332 120.400 0.034 0.000 2.740 236 D HA -0.176 4.464 4.640 0.000 0.000 0.231 236 D C -0.107 176.232 176.300 0.066 0.000 1.194 236 D CA 0.946 54.968 54.000 0.037 0.000 0.673 236 D CB -1.117 39.706 40.800 0.037 0.000 0.995 236 D HN 1.040 nan 8.370 nan 0.000 0.411 237 C N 0.604 119.957 119.300 0.089 0.000 2.388 237 C HA 0.460 4.920 4.460 0.000 0.000 0.362 237 C C 2.168 177.220 174.990 0.103 0.000 1.266 237 C CA -0.621 58.465 59.018 0.114 0.000 2.028 237 C CB 1.097 28.933 27.740 0.160 0.000 2.440 237 C HN 0.488 nan 8.230 nan 0.000 0.547 238 T N 1.400 116.008 114.554 0.089 0.000 2.698 238 T HA -0.074 4.276 4.350 0.000 0.000 0.260 238 T C 1.549 176.268 174.700 0.031 0.000 1.044 238 T CA 1.073 63.208 62.100 0.057 0.000 1.149 238 T CB -0.038 68.862 68.868 0.053 0.000 0.864 238 T HN 0.576 nan 8.240 nan 0.000 0.419 239 L N -0.775 120.444 121.223 -0.006 0.000 2.597 239 L HA 0.273 4.613 4.340 0.000 0.000 0.188 239 L C 0.679 177.492 176.870 -0.096 0.000 1.333 239 L CA 0.130 54.886 54.840 -0.140 0.000 1.543 239 L CB 0.065 41.961 42.059 -0.273 0.000 1.504 239 L HN 0.309 nan 8.230 nan 0.000 0.813 240 H N -1.443 117.684 119.070 0.094 0.000 2.559 240 H HA 0.238 4.794 4.556 0.000 0.000 0.343 240 H C 0.594 175.919 175.328 -0.006 0.000 1.209 240 H CA -0.002 56.054 56.048 0.013 0.000 1.287 240 H CB 1.257 31.015 29.762 -0.007 0.000 1.650 240 H HN 0.424 nan 8.280 nan 0.000 0.567 241 G N 0.515 109.324 108.800 0.015 0.000 2.454 241 G HA2 0.044 4.004 3.960 0.000 0.000 0.214 241 G HA3 0.044 4.004 3.960 0.000 0.000 0.214 241 G C 0.395 175.306 174.900 0.019 0.000 1.217 241 G CA 0.352 45.450 45.100 -0.004 0.000 0.799 241 G HN 0.479 nan 8.290 nan 0.000 0.538 242 I N 0.559 121.113 120.570 -0.027 0.000 2.478 242 I HA 0.336 4.506 4.170 0.000 0.000 0.287 242 I C -1.826 174.288 176.117 -0.005 0.000 1.042 242 I CA -0.735 60.567 61.300 0.003 0.000 1.067 242 I CB 2.528 40.518 38.000 -0.017 0.000 1.233 242 I HN -0.035 nan 8.210 nan 0.000 0.431 243 D N 7.407 127.847 120.400 0.068 0.000 2.629 243 D HA 0.463 5.103 4.640 0.000 0.000 0.250 243 D C -1.096 175.268 176.300 0.106 0.000 1.126 243 D CA -0.346 53.711 54.000 0.094 0.000 0.852 243 D CB 1.644 42.606 40.800 0.271 0.000 1.335 243 D HN 0.130 nan 8.370 nan 0.000 0.518 244 I N 2.917 123.533 120.570 0.077 0.000 2.339 244 I HA 0.424 4.594 4.170 0.000 0.000 0.290 244 I C 0.621 176.825 176.117 0.144 0.000 0.994 244 I CA -0.454 60.888 61.300 0.069 0.000 1.191 244 I CB 0.755 38.749 38.000 -0.010 0.000 1.343 244 I HN 0.346 nan 8.210 nan 0.000 0.458 245 T N 5.051 119.700 114.554 0.158 0.000 2.812 245 T HA 0.500 4.850 4.350 0.000 0.000 0.294 245 T C 0.063 174.846 174.700 0.138 0.000 1.159 245 T CA -0.382 61.851 62.100 0.221 0.000 1.008 245 T CB 1.223 70.276 68.868 0.308 0.000 1.289 245 T HN 0.799 nan 8.240 nan 0.000 0.514 246 C N 0.756 120.151 119.300 0.158 0.000 2.711 246 C HA 0.857 5.317 4.460 0.000 0.000 0.306 246 C C 1.539 176.548 174.990 0.032 0.000 1.479 246 C CA -0.286 58.780 59.018 0.079 0.000 2.271 246 C CB -1.399 26.371 27.740 0.049 0.000 2.155 246 C HN 1.039 nan 8.230 nan 0.000 0.674 247 G N -0.434 108.372 108.800 0.010 0.000 2.554 247 G HA2 0.536 4.496 3.960 0.000 0.000 0.238 247 G HA3 0.536 4.496 3.960 0.000 0.000 0.238 247 G C 0.434 175.307 174.900 -0.045 0.000 1.259 247 G CA 0.545 45.641 45.100 -0.007 0.000 0.843 247 G HN 2.487 nan 8.290 nan 0.000 0.582 248 G N -0.183 108.585 108.800 -0.053 0.000 2.697 248 G HA2 -0.084 3.876 3.960 0.000 0.000 0.686 248 G HA3 -0.084 3.876 3.960 0.000 0.000 0.686 248 G C 0.553 175.371 174.900 -0.137 0.000 1.179 248 G CA -0.232 44.817 45.100 -0.085 0.000 0.765 248 G HN 0.851 nan 8.290 nan 0.000 0.649 249 L N 0.244 121.378 121.223 -0.150 0.000 2.156 249 L HA 0.123 4.463 4.340 0.000 0.000 0.208 249 L C 1.179 177.864 176.870 -0.308 0.000 1.095 249 L CA 0.766 55.479 54.840 -0.211 0.000 0.770 249 L CB -0.218 41.738 42.059 -0.172 0.000 0.914 249 L HN 0.511 nan 8.230 nan 0.000 0.439 250 D N -1.317 118.933 120.400 -0.250 0.000 2.294 250 D HA 0.194 4.834 4.640 0.000 0.000 0.250 250 D C -0.690 175.416 176.300 -0.322 0.000 1.058 250 D CA -0.220 53.620 54.000 -0.267 0.000 0.950 250 D CB 0.888 41.623 40.800 -0.108 0.000 1.158 250 D HN -0.102 nan 8.370 nan 0.000 0.453 251 Y N 1.049 121.294 120.300 -0.092 0.000 2.316 251 Y HA 0.233 4.783 4.550 0.000 0.000 0.331 251 Y C -1.395 174.337 175.900 -0.280 0.000 1.083 251 Y CA -1.705 56.281 58.100 -0.190 0.000 1.206 251 Y CB 0.654 38.981 38.460 -0.221 0.000 1.195 251 Y HN 0.053 nan 8.280 nan 0.000 0.497 252 P HA 0.116 nan 4.420 nan 0.000 0.278 252 P C -1.501 175.517 177.300 -0.471 0.000 1.238 252 P CA -0.333 62.603 63.100 -0.273 0.000 0.794 252 P CB 0.809 32.316 31.700 -0.322 0.000 0.955 253 Y N 1.706 122.033 120.300 0.045 0.000 2.805 253 Y HA 0.292 4.842 4.550 0.000 0.000 0.339 253 Y C 1.088 177.020 175.900 0.054 0.000 1.012 253 Y CA -0.320 57.828 58.100 0.079 0.000 1.262 253 Y CB 0.828 39.333 38.460 0.075 0.000 1.100 253 Y HN 0.122 nan 8.280 nan 0.000 0.559 254 L N 1.908 123.200 121.223 0.114 0.000 2.607 254 L HA 0.476 4.816 4.340 0.000 0.000 0.228 254 L C 0.950 177.880 176.870 0.101 0.000 1.123 254 L CA 0.167 55.053 54.840 0.078 0.000 0.890 254 L CB -0.049 42.021 42.059 0.019 0.000 1.103 254 L HN 0.746 nan 8.230 nan 0.000 0.468 255 G N 0.449 109.341 108.800 0.152 0.000 2.619 255 G HA2 -0.192 3.768 3.960 0.000 0.000 0.686 255 G HA3 -0.192 3.768 3.960 0.000 0.000 0.686 255 G C -1.008 173.980 174.900 0.147 0.000 1.256 255 G CA -0.863 44.323 45.100 0.143 0.000 0.826 255 G HN 0.073 nan 8.290 nan 0.000 0.619 256 D N -0.006 120.486 120.400 0.154 0.000 2.423 256 D HA 0.511 5.151 4.640 0.000 0.000 0.238 256 D C 1.610 177.944 176.300 0.057 0.000 1.142 256 D CA 1.910 55.985 54.000 0.126 0.000 0.884 256 D CB 0.523 41.382 40.800 0.098 0.000 1.199 256 D HN 2.080 nan 8.370 nan 0.000 0.438 257 G N 1.794 110.607 108.800 0.022 0.000 2.160 257 G HA2 -0.212 3.748 3.960 0.000 0.000 0.251 257 G HA3 -0.212 3.748 3.960 0.000 0.000 0.251 257 G C 0.404 175.311 174.900 0.011 0.000 1.008 257 G CA 0.844 45.936 45.100 -0.014 0.000 0.724 257 G HN 0.868 nan 8.290 nan 0.000 0.514 258 T N -2.864 111.717 114.554 0.045 0.000 2.940 258 T HA 0.777 5.127 4.350 0.000 0.000 0.288 258 T C -0.336 174.409 174.700 0.075 0.000 1.045 258 T CA -0.014 62.116 62.100 0.050 0.000 1.018 258 T CB 2.635 71.534 68.868 0.051 0.000 1.151 258 T HN 0.426 nan 8.240 nan 0.000 0.529 259 T N 1.420 116.010 114.554 0.061 0.000 2.890 259 T HA 0.689 5.039 4.350 0.000 0.000 0.295 259 T C 0.073 174.791 174.700 0.029 0.000 0.993 259 T CA -0.561 61.582 62.100 0.073 0.000 0.979 259 T CB 1.030 69.940 68.868 0.070 0.000 0.967 259 T HN 1.043 nan 8.240 nan 0.000 0.441 260 A N 5.375 128.199 122.820 0.007 0.000 2.445 260 A HA 0.623 4.943 4.320 0.000 0.000 0.242 260 A C -1.927 175.628 177.584 -0.049 0.000 1.075 260 A CA -1.085 50.891 52.037 -0.103 0.000 0.777 260 A CB -0.333 18.447 19.000 -0.368 0.000 1.013 260 A HN 0.544 nan 8.150 nan 0.000 0.493 261 P HA 0.121 nan 4.420 nan 0.000 0.272 261 P C -0.640 176.655 177.300 -0.010 0.000 1.230 261 P CA -0.286 62.803 63.100 -0.018 0.000 0.788 261 P CB 0.242 31.930 31.700 -0.020 0.000 0.949 262 N N -2.013 116.700 118.700 0.022 0.000 2.726 262 N HA -0.085 4.655 4.740 0.000 0.000 0.253 262 N C -2.193 173.350 175.510 0.055 0.000 1.059 262 N CA 0.300 53.379 53.050 0.048 0.000 0.701 262 N CB -1.605 36.899 38.487 0.028 0.000 0.899 262 N HN 0.427 nan 8.380 nan 0.000 0.548 263 P HA 0.098 nan 4.420 nan 0.000 0.272 263 P C 0.179 177.480 177.300 0.001 0.000 1.230 263 P CA 0.028 63.133 63.100 0.010 0.000 0.788 263 P CB 0.722 32.389 31.700 -0.055 0.000 0.949 264 S N 0.359 116.043 115.700 -0.027 0.000 2.617 264 S HA 0.303 4.773 4.470 0.000 0.000 0.269 264 S C 0.067 174.540 174.600 -0.211 0.000 1.292 264 S CA -0.239 57.922 58.200 -0.065 0.000 1.010 264 S CB 0.277 63.464 63.200 -0.021 0.000 0.944 264 S HN 0.579 nan 8.310 nan 0.000 0.536 265 E N 1.216 121.241 120.200 -0.293 0.000 2.363 265 E HA 0.305 4.655 4.350 0.000 0.000 0.281 265 E C -1.316 175.192 176.600 -0.155 0.000 0.953 265 E CA -0.627 55.580 56.400 -0.323 0.000 0.778 265 E CB 0.758 30.128 29.700 -0.551 0.000 1.220 265 E HN 0.520 nan 8.360 nan 0.000 0.431 266 N N 3.353 122.038 118.700 -0.025 0.000 2.573 266 N HA -0.125 4.615 4.740 0.000 0.000 0.275 266 N C -1.769 173.700 175.510 -0.068 0.000 1.208 266 N CA 0.764 53.822 53.050 0.013 0.000 0.688 266 N CB -0.761 37.811 38.487 0.141 0.000 0.882 266 N HN 0.482 nan 8.380 nan 0.000 0.548 267 I N 1.441 121.878 120.570 -0.222 0.000 2.545 267 I HA 0.479 4.649 4.170 0.000 0.000 0.292 267 I C -0.167 175.736 176.117 -0.355 0.000 1.040 267 I CA -0.444 60.740 61.300 -0.193 0.000 1.068 267 I CB 1.187 39.105 38.000 -0.137 0.000 1.251 267 I HN 0.291 nan 8.210 nan 0.000 0.424 268 W N 6.260 127.396 121.300 -0.274 0.000 2.781 268 W HA 0.651 5.311 4.660 0.000 0.000 0.333 268 W C -0.601 175.881 176.519 -0.061 0.000 1.047 268 W CA -0.292 56.944 57.345 -0.183 0.000 1.236 268 W CB 1.587 30.884 29.460 -0.273 0.000 1.394 268 W HN 0.150 nan 8.180 nan 0.000 0.466 269 I N 3.551 124.226 120.570 0.175 0.000 2.411 269 I HA 0.352 4.522 4.170 0.000 0.000 0.284 269 I C -0.504 175.718 176.117 0.174 0.000 1.012 269 I CA -0.816 60.572 61.300 0.146 0.000 1.119 269 I CB 1.429 39.485 38.000 0.094 0.000 1.261 269 I HN 0.355 nan 8.210 nan 0.000 0.448 270 E N 5.819 126.123 120.200 0.174 0.000 2.275 270 E HA 0.367 4.717 4.350 0.000 0.000 0.270 270 E C -0.641 176.039 176.600 0.133 0.000 0.882 270 E CA -0.853 55.647 56.400 0.167 0.000 0.758 270 E CB 1.699 31.511 29.700 0.188 0.000 1.195 270 E HN 0.511 nan 8.360 nan 0.000 0.419 271 N N 0.459 119.239 118.700 0.133 0.000 2.725 271 N HA -0.162 4.578 4.740 0.000 0.000 0.249 271 N C -0.809 174.770 175.510 0.114 0.000 1.103 271 N CA 0.686 53.808 53.050 0.119 0.000 0.707 271 N CB -1.498 37.045 38.487 0.093 0.000 1.043 271 N HN 0.378 nan 8.380 nan 0.000 0.553 272 C N 0.550 119.928 119.300 0.130 0.000 2.358 272 C HA 0.561 5.021 4.460 0.000 0.000 0.354 272 C C 0.983 176.060 174.990 0.145 0.000 1.183 272 C CA -0.657 58.422 59.018 0.102 0.000 2.150 272 C CB 2.026 29.808 27.740 0.071 0.000 2.361 272 C HN 0.318 nan 8.230 nan 0.000 0.535 273 E N 0.609 120.876 120.200 0.112 0.000 2.248 273 E HA 0.663 5.013 4.350 0.000 0.000 0.267 273 E C -1.318 175.302 176.600 0.033 0.000 0.877 273 E CA -0.348 56.132 56.400 0.133 0.000 0.759 273 E CB 1.693 31.514 29.700 0.201 0.000 1.182 273 E HN 0.851 nan 8.360 nan 0.000 0.418 274 A N 3.052 125.847 122.820 -0.042 0.000 2.356 274 A HA 0.680 5.000 4.320 0.000 0.000 0.310 274 A C -0.796 176.753 177.584 -0.060 0.000 1.075 274 A CA -0.461 51.537 52.037 -0.065 0.000 0.746 274 A CB 2.149 21.029 19.000 -0.199 0.000 1.221 274 A HN 0.480 nan 8.150 nan 0.000 0.443 275 T N 0.193 114.746 114.554 -0.001 0.000 2.868 275 T HA 0.571 4.921 4.350 0.000 0.000 0.306 275 T C 0.529 175.171 174.700 -0.097 0.000 1.224 275 T CA 0.868 62.846 62.100 -0.204 0.000 1.012 275 T CB 1.144 69.612 68.868 -0.666 0.000 1.221 275 T HN 2.494 nan 8.240 nan 0.000 0.499 276 G N 2.574 111.160 108.800 -0.357 0.000 2.295 276 G HA2 -0.194 3.766 3.960 0.000 0.000 0.287 276 G HA3 -0.194 3.766 3.960 0.000 0.000 0.287 276 G C -0.115 174.690 174.900 -0.159 0.000 1.055 276 G CA 0.745 45.688 45.100 -0.263 0.000 0.922 276 G HN 0.923 nan 8.290 nan 0.000 0.503 277 F N -2.127 117.800 119.950 -0.038 0.000 2.408 277 F HA 0.769 5.296 4.527 0.000 0.000 0.325 277 F C 1.241 177.053 175.800 0.020 0.000 1.082 277 F CA -1.156 56.842 58.000 -0.005 0.000 1.032 277 F CB 0.750 39.752 39.000 0.003 0.000 1.259 277 F HN 0.021 nan 8.300 nan 0.000 0.503 278 G N -0.826 108.117 108.800 0.238 0.000 2.545 278 G HA2 -0.011 3.949 3.960 0.000 0.000 0.212 278 G HA3 -0.011 3.949 3.960 0.000 0.000 0.212 278 G C 0.460 175.486 174.900 0.211 0.000 1.144 278 G CA 0.784 45.967 45.100 0.139 0.000 0.813 278 G HN 0.660 nan 8.290 nan 0.000 0.531 279 D N -0.447 120.140 120.400 0.312 0.000 3.013 279 D HA 0.129 4.769 4.640 0.000 0.000 0.235 279 D C -0.540 176.061 176.300 0.502 0.000 1.540 279 D CA 0.059 54.267 54.000 0.348 0.000 1.303 279 D CB 0.632 41.580 40.800 0.246 0.000 0.980 279 D HN -0.019 nan 8.370 nan 0.000 0.250 280 D N -0.830 119.810 120.400 0.401 0.000 2.433 280 D HA 0.421 5.061 4.640 0.000 0.000 0.236 280 D C 0.757 176.441 176.300 -1.026 0.000 1.026 280 D CA -0.550 53.338 54.000 -0.187 0.000 0.884 280 D CB 1.990 42.693 40.800 -0.161 0.000 1.384 280 D HN 0.322 nan 8.370 nan 0.000 0.477 281 G N 0.659 108.427 108.800 -1.721 0.000 2.424 281 G HA2 0.032 3.992 3.960 0.000 0.000 0.214 281 G HA3 0.032 3.992 3.960 0.000 0.000 0.214 281 G C 0.586 175.050 174.900 -0.728 0.000 1.202 281 G CA 0.568 44.733 45.100 -1.557 0.000 0.793 281 G HN 0.483 nan 8.290 nan 0.000 0.534 282 I N -0.131 120.050 120.570 -0.649 0.000 2.499 282 I HA 0.477 4.647 4.170 0.000 0.000 0.288 282 I C -0.738 175.191 176.117 -0.313 0.000 1.048 282 I CA -0.369 60.702 61.300 -0.382 0.000 1.062 282 I CB 2.752 40.587 38.000 -0.275 0.000 1.238 282 I HN 0.041 nan 8.210 nan 0.000 0.426 283 T N 3.376 117.759 114.554 -0.286 0.000 2.900 283 T HA 0.707 5.057 4.350 0.000 0.000 0.303 283 T C -0.949 173.557 174.700 -0.324 0.000 1.142 283 T CA -0.402 61.483 62.100 -0.359 0.000 1.007 283 T CB 1.720 70.251 68.868 -0.562 0.000 1.156 283 T HN 0.711 nan 8.240 nan 0.000 0.490 284 T N 0.962 115.248 114.554 -0.445 0.000 2.893 284 T HA 0.785 5.135 4.350 0.000 0.000 0.293 284 T C -1.315 173.012 174.700 -0.622 0.000 1.027 284 T CA -0.726 61.157 62.100 -0.363 0.000 0.988 284 T CB 1.319 70.028 68.868 -0.264 0.000 1.043 284 T HN 0.730 nan 8.240 nan 0.000 0.461 285 H N 0.435 119.410 119.070 -0.158 0.000 2.894 285 H HA 0.493 5.049 4.556 0.000 0.000 0.367 285 H C -0.269 174.967 175.328 -0.154 0.000 1.144 285 H CA -0.711 55.196 56.048 -0.235 0.000 1.180 285 H CB 0.891 30.594 29.762 -0.098 0.000 1.758 285 H HN 0.841 nan 8.280 nan 0.000 0.541 286 H N 0.231 119.298 119.070 -0.005 0.000 2.655 286 H HA -0.144 4.412 4.556 0.000 0.000 0.313 286 H C -0.611 174.664 175.328 -0.089 0.000 1.141 286 H CA 1.063 57.084 56.048 -0.046 0.000 1.138 286 H CB -1.381 28.381 29.762 -0.001 0.000 1.446 286 H HN 0.510 nan 8.280 nan 0.000 0.415 287 S N -0.147 115.488 115.700 -0.108 0.000 2.638 287 S HA 0.604 5.074 4.470 0.000 0.000 0.274 287 S C -0.249 174.173 174.600 -0.296 0.000 1.157 287 S CA -0.933 57.169 58.200 -0.163 0.000 0.826 287 S CB 3.439 66.570 63.200 -0.114 0.000 1.139 287 S HN 0.464 nan 8.310 nan 0.000 0.474 288 Q N -0.133 119.444 119.800 -0.372 0.000 2.534 288 Q HA 0.617 4.957 4.340 0.000 0.000 0.290 288 Q C -1.607 174.102 176.000 -0.484 0.000 0.991 288 Q CA -1.113 54.370 55.803 -0.533 0.000 0.783 288 Q CB 1.101 29.366 28.738 -0.788 0.000 1.470 288 Q HN 0.801 nan 8.270 nan 0.000 0.406 289 Y N -0.238 119.995 120.300 -0.111 0.000 2.978 289 Y HA -0.171 4.379 4.550 0.000 0.000 0.142 289 Y C -0.881 174.835 175.900 -0.307 0.000 1.837 289 Y CA -0.182 57.810 58.100 -0.179 0.000 0.947 289 Y CB -1.660 36.712 38.460 -0.146 0.000 1.519 289 Y HN 0.477 nan 8.280 nan 0.000 0.359 290 I N 2.034 122.475 120.570 -0.216 0.000 2.582 290 I HA 0.351 4.521 4.170 0.000 0.000 0.292 290 I C -0.283 175.598 176.117 -0.394 0.000 1.066 290 I CA -0.774 60.327 61.300 -0.331 0.000 1.053 290 I CB 2.050 39.910 38.000 -0.234 0.000 1.241 290 I HN 0.350 nan 8.210 nan 0.000 0.421 291 N N 6.936 125.309 118.700 -0.545 0.000 2.372 291 N HA 0.575 5.315 4.740 0.000 0.000 0.285 291 N C -1.175 174.235 175.510 -0.167 0.000 1.008 291 N CA -0.483 52.323 53.050 -0.407 0.000 0.880 291 N CB 2.635 40.733 38.487 -0.648 0.000 1.239 291 N HN 0.403 nan 8.380 nan 0.000 0.484 292 I N 3.924 124.442 120.570 -0.087 0.000 2.382 292 I HA 0.385 4.555 4.170 0.000 0.000 0.285 292 I C -0.697 175.431 176.117 0.019 0.000 1.007 292 I CA -0.453 60.851 61.300 0.006 0.000 1.142 292 I CB 1.117 39.129 38.000 0.020 0.000 1.289 292 I HN 0.234 nan 8.210 nan 0.000 0.453 293 L N 6.491 127.767 121.223 0.088 0.000 2.410 293 L HA 0.514 4.854 4.340 0.000 0.000 0.270 293 L C -0.063 176.872 176.870 0.109 0.000 0.983 293 L CA -0.873 54.020 54.840 0.089 0.000 0.822 293 L CB 1.663 43.803 42.059 0.134 0.000 1.285 293 L HN 0.582 nan 8.230 nan 0.000 0.409 294 N N 0.043 118.793 118.700 0.083 0.000 2.708 294 N HA -0.172 4.568 4.740 0.000 0.000 0.249 294 N C -0.457 175.147 175.510 0.157 0.000 1.097 294 N CA 0.599 53.706 53.050 0.095 0.000 0.710 294 N CB -1.840 36.696 38.487 0.083 0.000 1.032 294 N HN 0.509 nan 8.380 nan 0.000 0.551 295 C N -0.062 119.379 119.300 0.234 0.000 2.335 295 C HA 0.602 5.062 4.460 0.000 0.000 0.363 295 C C 0.510 175.816 174.990 0.527 0.000 1.198 295 C CA -0.769 58.464 59.018 0.358 0.000 2.279 295 C CB 0.846 28.847 27.740 0.436 0.000 2.334 295 C HN 0.401 nan 8.230 nan 0.000 0.559 296 Y N 0.854 121.341 120.300 0.312 0.000 2.327 296 Y HA 0.509 5.059 4.550 0.000 0.000 0.325 296 Y C -0.474 175.597 175.900 0.285 0.000 0.999 296 Y CA -0.747 57.539 58.100 0.310 0.000 1.195 296 Y CB 1.132 39.715 38.460 0.206 0.000 1.132 296 Y HN 0.679 nan 8.280 nan 0.000 0.455 297 S N 6.596 122.380 115.700 0.140 0.000 2.498 297 S HA 0.583 5.053 4.470 0.000 0.000 0.317 297 S C -1.376 173.232 174.600 0.013 0.000 1.090 297 S CA -0.532 57.578 58.200 -0.150 0.000 1.089 297 S CB 0.348 63.171 63.200 -0.627 0.000 0.997 297 S HN 0.846 nan 8.310 nan 0.000 0.470 298 H N -0.833 118.163 119.070 -0.124 0.000 3.016 298 H HA 0.578 5.134 4.556 0.000 0.000 0.362 298 H C -1.505 173.770 175.328 -0.089 0.000 1.233 298 H CA -1.110 54.871 56.048 -0.113 0.000 1.124 298 H CB 0.525 30.067 29.762 -0.366 0.000 1.850 298 H HN 0.333 nan 8.280 nan 0.000 0.549 299 D N 1.096 121.488 120.400 -0.014 0.000 3.278 299 D HA -0.108 4.532 4.640 0.000 0.000 0.233 299 D C -2.336 173.706 176.300 -0.430 0.000 1.149 299 D CA 0.339 54.276 54.000 -0.107 0.000 0.957 299 D CB -0.708 40.088 40.800 -0.008 0.000 0.913 299 D HN 0.486 nan 8.370 nan 0.000 0.409 300 P HA 0.061 nan 4.420 nan 0.000 0.272 300 P C 1.088 178.176 177.300 -0.352 0.000 1.223 300 P CA -0.200 62.392 63.100 -0.846 0.000 0.784 300 P CB 0.848 32.332 31.700 -0.361 0.000 0.923 301 R N 0.541 120.857 120.500 -0.308 0.000 2.073 301 R HA 0.041 4.381 4.340 0.000 0.000 0.229 301 R C 0.999 177.240 176.300 -0.098 0.000 1.120 301 R CA 0.968 56.977 56.100 -0.151 0.000 0.967 301 R CB -0.345 29.894 30.300 -0.102 0.000 0.862 301 R HN 0.446 nan 8.270 nan 0.000 0.436 302 L N -1.435 119.755 121.223 -0.055 0.000 2.544 302 L HA 0.263 4.603 4.340 0.000 0.000 0.256 302 L C 0.875 177.749 176.870 0.006 0.000 1.097 302 L CA -0.306 54.522 54.840 -0.020 0.000 0.812 302 L CB 1.282 43.356 42.059 0.025 0.000 1.440 302 L HN -0.161 nan 8.230 nan 0.000 0.496 303 T N -0.568 113.971 114.554 -0.024 0.000 3.275 303 T HA 0.367 4.717 4.350 0.000 0.000 0.298 303 T C 0.344 175.097 174.700 0.089 0.000 0.988 303 T CA 0.046 62.056 62.100 -0.151 0.000 0.936 303 T CB 0.439 69.118 68.868 -0.315 0.000 1.159 303 T HN 0.629 nan 8.240 nan 0.000 0.519 304 A N 1.688 124.599 122.820 0.150 0.000 3.293 304 A HA 0.510 4.830 4.320 0.000 0.000 0.163 304 A C 0.748 178.396 177.584 0.107 0.000 2.052 304 A CA -0.266 51.830 52.037 0.099 0.000 1.062 304 A CB -0.239 18.805 19.000 0.074 0.000 1.908 304 A HN 0.294 nan 8.150 nan 0.000 0.790 305 N N -0.273 118.469 118.700 0.070 0.000 3.254 305 N HA 0.170 4.910 4.740 0.000 0.000 0.308 305 N C -1.299 174.332 175.510 0.201 0.000 1.281 305 N CA -0.072 53.024 53.050 0.075 0.000 1.212 305 N CB -0.860 37.688 38.487 0.100 0.000 1.478 305 N HN 0.416 nan 8.380 nan 0.000 0.548 306 C N 2.087 121.532 119.300 0.241 0.000 2.203 306 C HA 0.459 4.919 4.460 0.000 0.000 0.325 306 C C -0.186 174.946 174.990 0.236 0.000 1.156 306 C CA -1.184 58.018 59.018 0.306 0.000 1.597 306 C CB -1.265 26.705 27.740 0.384 0.000 2.148 306 C HN 0.517 nan 8.230 nan 0.000 0.472 307 N N 1.218 120.047 118.700 0.215 0.000 2.370 307 N HA 0.353 5.093 4.740 0.000 0.000 0.303 307 N C 1.001 176.524 175.510 0.021 0.000 1.103 307 N CA -0.258 52.844 53.050 0.087 0.000 0.848 307 N CB 1.869 40.383 38.487 0.044 0.000 1.235 307 N HN 0.656 nan 8.380 nan 0.000 0.496 308 G N 0.529 109.333 108.800 0.007 0.000 2.433 308 G HA2 -0.090 3.870 3.960 0.000 0.000 0.216 308 G HA3 -0.090 3.870 3.960 0.000 0.000 0.216 308 G C -0.202 174.356 174.900 -0.570 0.000 1.186 308 G CA 0.884 45.888 45.100 -0.159 0.000 0.779 308 G HN 0.474 nan 8.290 nan 0.000 0.543 309 F N -0.079 119.815 119.950 -0.093 0.000 2.499 309 F HA 0.491 5.018 4.527 0.000 0.000 0.333 309 F C -0.237 175.474 175.800 -0.149 0.000 1.138 309 F CA -0.985 56.935 58.000 -0.132 0.000 0.945 309 F CB 2.405 41.340 39.000 -0.108 0.000 1.181 309 F HN 0.001 nan 8.300 nan 0.000 0.435 310 E N 4.352 124.504 120.200 -0.079 0.000 2.141 310 E HA 0.398 4.748 4.350 0.000 0.000 0.259 310 E C -1.142 175.334 176.600 -0.208 0.000 0.883 310 E CA -0.549 55.778 56.400 -0.122 0.000 0.744 310 E CB 0.804 30.419 29.700 -0.142 0.000 1.150 310 E HN 0.394 nan 8.360 nan 0.000 0.420 311 I N 4.351 124.820 120.570 -0.168 0.000 2.282 311 I HA 0.249 4.419 4.170 0.000 0.000 0.290 311 I C 0.199 176.166 176.117 -0.251 0.000 1.090 311 I CA -0.197 60.964 61.300 -0.232 0.000 1.231 311 I CB 0.017 37.898 38.000 -0.198 0.000 1.434 311 I HN 0.590 nan 8.210 nan 0.000 0.487 312 D N 4.013 124.189 120.400 -0.374 0.000 2.616 312 D HA 0.228 4.868 4.640 0.000 0.000 0.260 312 D C -0.638 175.480 176.300 -0.304 0.000 1.158 312 D CA -0.479 53.331 54.000 -0.318 0.000 1.085 312 D CB 1.169 41.715 40.800 -0.423 0.000 1.222 312 D HN 0.266 nan 8.370 nan 0.000 0.626 313 D N -0.110 120.189 120.400 -0.169 0.000 3.683 313 D HA 0.149 4.789 4.640 0.000 0.000 0.201 313 D C 1.155 177.074 176.300 -0.634 0.000 1.100 313 D CA 1.767 55.617 54.000 -0.250 0.000 0.742 313 D CB -0.223 40.493 40.800 -0.140 0.000 1.168 313 D HN 0.694 nan 8.370 nan 0.000 0.585 314 G N 1.837 110.386 108.800 -0.420 0.000 2.179 314 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 314 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 314 G C 0.584 175.276 174.900 -0.347 0.000 0.977 314 G CA 0.422 45.315 45.100 -0.345 0.000 0.641 314 G HN 0.597 nan 8.290 nan 0.000 0.533 315 S N 1.228 116.690 115.700 -0.396 0.000 2.579 315 S HA 0.650 5.120 4.470 0.000 0.000 0.275 315 S C 0.528 174.758 174.600 -0.617 0.000 1.345 315 S CA 0.557 58.504 58.200 -0.422 0.000 1.031 315 S CB 0.980 63.957 63.200 -0.372 0.000 0.892 315 S HN 1.010 nan 8.310 nan 0.000 0.529 316 R N 1.306 121.386 120.500 -0.699 0.000 2.664 316 R HA 0.259 4.599 4.340 0.000 0.000 0.266 316 R C -1.636 174.202 176.300 -0.771 0.000 1.046 316 R CA -0.662 54.790 56.100 -1.081 0.000 0.885 316 R CB 0.145 29.262 30.300 -1.971 0.000 1.254 316 R HN 0.826 nan 8.270 nan 0.000 0.465 317 H N -0.900 117.991 119.070 -0.299 0.000 2.847 317 H HA -0.076 4.480 4.556 0.000 0.000 0.336 317 H C -0.980 174.261 175.328 -0.144 0.000 1.221 317 H CA 0.525 56.498 56.048 -0.124 0.000 1.162 317 H CB -1.886 27.901 29.762 0.042 0.000 1.566 317 H HN 0.435 nan 8.280 nan 0.000 0.430 318 V N 0.926 120.769 119.914 -0.117 0.000 2.604 318 V HA 0.527 4.647 4.120 0.000 0.000 0.305 318 V C 0.481 176.487 176.094 -0.148 0.000 1.043 318 V CA -0.919 61.285 62.300 -0.161 0.000 0.888 318 V CB 2.910 34.608 31.823 -0.208 0.000 0.995 318 V HN 0.174 nan 8.190 nan 0.000 0.429 319 V N 5.746 125.564 119.914 -0.159 0.000 2.448 319 V HA 0.532 4.652 4.120 0.000 0.000 0.295 319 V C -0.611 175.398 176.094 -0.142 0.000 1.025 319 V CA -0.480 61.736 62.300 -0.140 0.000 0.859 319 V CB 1.663 33.411 31.823 -0.125 0.000 0.988 319 V HN 0.640 nan 8.190 nan 0.000 0.431 320 L N 4.154 125.293 121.223 -0.140 0.000 2.322 320 L HA 0.757 5.097 4.340 0.000 0.000 0.281 320 L C 0.045 176.855 176.870 -0.100 0.000 1.014 320 L CA 0.229 54.980 54.840 -0.149 0.000 0.815 320 L CB 1.942 43.864 42.059 -0.228 0.000 1.247 320 L HN 0.650 nan 8.230 nan 0.000 0.421 321 S N 2.332 117.992 115.700 -0.067 0.000 2.572 321 S HA 0.462 4.932 4.470 0.000 0.000 0.274 321 S C -0.325 174.271 174.600 -0.008 0.000 1.150 321 S CA -0.585 57.600 58.200 -0.025 0.000 0.944 321 S CB 0.629 63.824 63.200 -0.009 0.000 1.071 321 S HN 0.695 nan 8.310 nan 0.000 0.479 322 N N 2.280 120.979 118.700 -0.002 0.000 2.725 322 N HA -0.141 4.599 4.740 0.000 0.000 0.249 322 N C -0.625 174.871 175.510 -0.022 0.000 1.103 322 N CA 0.957 53.999 53.050 -0.013 0.000 0.707 322 N CB -1.476 37.011 38.487 -0.000 0.000 1.043 322 N HN 0.676 nan 8.380 nan 0.000 0.553 323 N N 0.652 119.332 118.700 -0.034 0.000 2.434 323 N HA 0.346 5.086 4.740 0.000 0.000 0.266 323 N C 0.347 175.749 175.510 -0.179 0.000 1.223 323 N CA -0.158 52.876 53.050 -0.027 0.000 0.972 323 N CB 1.489 39.831 38.487 -0.242 0.000 1.207 323 N HN 0.226 nan 8.380 nan 0.000 0.525 324 R N -0.089 120.449 120.500 0.064 0.000 2.628 324 R HA 0.348 4.688 4.340 0.000 0.000 0.288 324 R C -1.082 175.527 176.300 0.515 0.000 0.980 324 R CA -0.505 55.599 56.100 0.007 0.000 0.891 324 R CB 1.094 31.369 30.300 -0.043 0.000 1.188 324 R HN 0.791 nan 8.270 nan 0.000 0.450 325 S N 2.637 118.602 115.700 0.442 0.000 2.536 325 S HA 0.585 5.055 4.470 0.000 0.000 0.298 325 S C -0.944 173.877 174.600 0.369 0.000 1.083 325 S CA -0.914 57.603 58.200 0.529 0.000 0.995 325 S CB 2.257 65.795 63.200 0.563 0.000 1.058 325 S HN 0.644 nan 8.310 nan 0.000 0.488 326 K N 0.367 120.968 120.400 0.336 0.000 2.535 326 K HA 0.541 4.861 4.320 0.000 0.000 0.251 326 K C 0.409 177.131 176.600 0.202 0.000 0.942 326 K CA -0.012 56.433 56.287 0.263 0.000 0.798 326 K CB 1.059 33.756 32.500 0.328 0.000 1.267 326 K HN 1.440 nan 8.250 nan 0.000 0.434 327 G N 2.175 111.069 108.800 0.157 0.000 2.198 327 G HA2 -0.255 3.705 3.960 0.000 0.000 0.260 327 G HA3 -0.255 3.705 3.960 0.000 0.000 0.260 327 G C -0.025 174.972 174.900 0.163 0.000 1.025 327 G CA 0.337 45.542 45.100 0.175 0.000 0.769 327 G HN 0.605 nan 8.290 nan 0.000 0.507 328 C N -1.992 117.307 119.300 -0.002 0.000 2.451 328 C HA 0.707 5.167 4.460 0.000 0.000 0.391 328 C C 1.645 176.207 174.990 -0.713 0.000 1.286 328 C CA -0.093 58.774 59.018 -0.251 0.000 1.935 328 C CB 1.017 28.728 27.740 -0.049 0.000 2.188 328 C HN 0.425 nan 8.230 nan 0.000 0.523 329 Y N 1.503 121.133 120.300 -1.116 0.000 2.117 329 Y HA 0.250 4.800 4.550 0.000 0.000 0.277 329 Y C 1.350 177.045 175.900 -0.341 0.000 1.104 329 Y CA 1.762 59.360 58.100 -0.837 0.000 1.089 329 Y CB -0.965 37.151 38.460 -0.573 0.000 0.999 329 Y HN 0.683 nan 8.280 nan 0.000 0.480 330 G N -0.200 108.324 108.800 -0.461 0.000 2.356 330 G HA2 0.414 4.374 3.960 0.000 0.000 0.298 330 G HA3 0.414 4.374 3.960 0.000 0.000 0.298 330 G C 0.773 175.548 174.900 -0.209 0.000 1.145 330 G CA -0.094 44.761 45.100 -0.407 0.000 0.850 330 G HN 0.672 nan 8.290 nan 0.000 0.487 331 G N 1.272 109.928 108.800 -0.240 0.000 2.496 331 G HA2 0.053 4.013 3.960 0.000 0.000 0.214 331 G HA3 0.053 4.013 3.960 0.000 0.000 0.214 331 G C 0.548 175.425 174.900 -0.038 0.000 1.234 331 G CA 0.232 45.267 45.100 -0.109 0.000 0.807 331 G HN 0.575 nan 8.290 nan 0.000 0.543 332 I N 0.772 121.227 120.570 -0.192 0.000 2.382 332 I HA 0.312 4.482 4.170 0.000 0.000 0.286 332 I C -0.724 175.415 176.117 0.037 0.000 1.002 332 I CA -0.422 60.850 61.300 -0.048 0.000 1.135 332 I CB 2.207 40.159 38.000 -0.080 0.000 1.288 332 I HN 0.204 nan 8.210 nan 0.000 0.448 333 E N 7.645 127.869 120.200 0.041 0.000 2.166 333 E HA 0.587 4.937 4.350 0.000 0.000 0.275 333 E C -1.302 175.337 176.600 0.065 0.000 0.941 333 E CA -0.594 55.848 56.400 0.069 0.000 0.784 333 E CB 1.496 31.215 29.700 0.032 0.000 1.115 333 E HN 0.519 nan 8.360 nan 0.000 0.399 334 I N 5.488 126.135 120.570 0.130 0.000 2.410 334 I HA 0.386 4.556 4.170 0.000 0.000 0.286 334 I C -0.275 175.902 176.117 0.099 0.000 1.009 334 I CA -0.494 60.794 61.300 -0.020 0.000 1.111 334 I CB 1.236 39.051 38.000 -0.309 0.000 1.262 334 I HN 0.594 nan 8.210 nan 0.000 0.443 335 K N 5.295 125.737 120.400 0.069 0.000 2.644 335 K HA 0.933 5.253 4.320 0.000 0.000 0.284 335 K C -1.981 174.592 176.600 -0.044 0.000 1.023 335 K CA -0.901 55.458 56.287 0.120 0.000 0.809 335 K CB 1.845 34.402 32.500 0.095 0.000 1.504 335 K HN 0.474 nan 8.250 nan 0.000 0.365 336 A N 0.452 123.232 122.820 -0.065 0.000 2.587 336 A HA 0.544 4.864 4.320 0.000 0.000 0.293 336 A C -1.223 176.418 177.584 0.095 0.000 1.087 336 A CA -0.878 51.138 52.037 -0.036 0.000 0.692 336 A CB 0.794 19.710 19.000 -0.140 0.000 1.291 336 A HN 0.672 nan 8.150 nan 0.000 0.407 337 H N 0.278 119.496 119.070 0.247 0.000 2.730 337 H HA 0.286 4.842 4.556 0.000 0.000 0.376 337 H C 1.264 176.757 175.328 0.275 0.000 1.299 337 H CA 1.060 57.255 56.048 0.244 0.000 1.447 337 H CB 0.527 30.445 29.762 0.259 0.000 1.493 337 H HN 0.898 nan 8.280 nan 0.000 0.619 338 G N -0.114 108.838 108.800 0.254 0.000 2.554 338 G HA2 -0.017 3.943 3.960 0.000 0.000 0.238 338 G HA3 -0.017 3.943 3.960 0.000 0.000 0.238 338 G C -0.100 174.924 174.900 0.207 0.000 1.259 338 G CA -0.131 45.048 45.100 0.133 0.000 0.843 338 G HN 0.800 nan 8.290 nan 0.000 0.582 339 D N -1.867 118.657 120.400 0.206 0.000 3.076 339 D HA -0.154 4.486 4.640 0.000 0.000 0.218 339 D C 0.538 177.076 176.300 0.397 0.000 1.156 339 D CA 1.655 55.802 54.000 0.246 0.000 0.921 339 D CB -1.536 39.364 40.800 0.167 0.000 1.113 339 D HN 0.974 nan 8.370 nan 0.000 0.418 340 A N -0.315 122.768 122.820 0.439 0.000 2.469 340 A HA 0.750 5.070 4.320 0.000 0.000 0.299 340 A C -2.730 175.030 177.584 0.294 0.000 1.098 340 A CA -1.301 50.958 52.037 0.370 0.000 0.737 340 A CB 2.287 21.523 19.000 0.393 0.000 1.312 340 A HN -0.127 nan 8.150 nan 0.000 0.414 341 P HA 0.415 nan 4.420 nan 0.000 0.280 341 P C -0.062 177.136 177.300 -0.170 0.000 1.244 341 P CA 0.158 63.277 63.100 0.033 0.000 0.784 341 P CB 1.240 32.986 31.700 0.076 0.000 0.913 342 A N 3.525 126.034 122.820 -0.517 0.000 2.425 342 A HA 0.449 4.769 4.320 0.000 0.000 0.242 342 A C 0.710 178.202 177.584 -0.153 0.000 1.077 342 A CA -0.112 51.599 52.037 -0.543 0.000 0.781 342 A CB -0.445 18.042 19.000 -0.855 0.000 1.020 342 A HN 0.660 nan 8.150 nan 0.000 0.494 343 A N 0.853 123.613 122.820 -0.100 0.000 2.540 343 A HA 0.493 4.813 4.320 0.000 0.000 0.239 343 A C -0.157 177.457 177.584 0.050 0.000 1.061 343 A CA 0.585 52.550 52.037 -0.122 0.000 0.758 343 A CB -0.531 18.374 19.000 -0.159 0.000 0.991 343 A HN 1.620 nan 8.150 nan 0.000 0.502 344 Y N -0.386 119.838 120.300 -0.126 0.000 2.553 344 Y HA 0.622 5.172 4.550 0.000 0.000 0.347 344 Y C -0.002 175.815 175.900 -0.138 0.000 1.019 344 Y CA -1.486 56.572 58.100 -0.071 0.000 1.032 344 Y CB 1.082 39.500 38.460 -0.069 0.000 1.284 344 Y HN 0.744 nan 8.280 nan 0.000 0.466 345 N N 1.253 120.031 118.700 0.129 0.000 2.681 345 N HA -0.144 4.596 4.740 0.000 0.000 0.259 345 N C -1.803 173.676 175.510 -0.052 0.000 1.066 345 N CA 0.554 53.655 53.050 0.085 0.000 0.717 345 N CB -0.763 37.889 38.487 0.275 0.000 0.885 345 N HN 0.673 nan 8.380 nan 0.000 0.547 346 I N 0.015 120.507 120.570 -0.129 0.000 2.474 346 I HA 0.414 4.584 4.170 0.000 0.000 0.294 346 I C 0.518 176.518 176.117 -0.195 0.000 1.005 346 I CA -0.689 60.492 61.300 -0.198 0.000 1.113 346 I CB 1.521 39.343 38.000 -0.296 0.000 1.289 346 I HN 0.317 nan 8.210 nan 0.000 0.436 347 S N 6.969 122.571 115.700 -0.163 0.000 2.478 347 S HA 0.709 5.179 4.470 0.000 0.000 0.312 347 S C -0.763 173.748 174.600 -0.148 0.000 1.094 347 S CA -0.554 57.562 58.200 -0.141 0.000 1.081 347 S CB 0.740 63.883 63.200 -0.094 0.000 1.007 347 S HN 0.418 nan 8.310 nan 0.000 0.475 348 I N 4.849 125.332 120.570 -0.146 0.000 2.359 348 I HA 0.312 4.482 4.170 0.000 0.000 0.284 348 I C -0.115 175.951 176.117 -0.086 0.000 1.018 348 I CA -0.592 60.636 61.300 -0.121 0.000 1.173 348 I CB 1.261 39.187 38.000 -0.122 0.000 1.326 348 I HN 0.561 nan 8.210 nan 0.000 0.462 349 N N 5.903 124.565 118.700 -0.063 0.000 3.301 349 N HA 0.409 5.149 4.740 0.000 0.000 0.289 349 N C -0.090 175.406 175.510 -0.023 0.000 1.343 349 N CA 0.187 53.212 53.050 -0.042 0.000 1.136 349 N CB 0.412 38.878 38.487 -0.035 0.000 1.402 349 N HN 0.850 nan 8.380 nan 0.000 0.516 350 G N 1.524 110.313 108.800 -0.019 0.000 3.019 350 G HA2 -0.073 3.887 3.960 0.000 0.000 0.686 350 G HA3 -0.073 3.887 3.960 0.000 0.000 0.686 350 G C -1.341 173.605 174.900 0.076 0.000 1.056 350 G CA -0.592 44.513 45.100 0.008 0.000 0.774 350 G HN 0.785 nan 8.290 nan 0.000 0.583 351 H N 1.498 120.569 119.070 0.001 0.000 3.046 351 H HA 0.747 5.303 4.556 0.000 0.000 0.361 351 H C -0.532 174.878 175.328 0.137 0.000 1.235 351 H CA -0.768 55.320 56.048 0.066 0.000 1.146 351 H CB 1.671 31.536 29.762 0.172 0.000 1.859 351 H HN 0.827 nan 8.280 nan 0.000 0.548 352 M N 4.004 123.339 119.600 -0.442 0.000 2.190 352 M HA 0.377 4.857 4.480 0.000 0.000 0.312 352 M C -1.314 174.874 176.300 -0.186 0.000 0.990 352 M CA -0.608 54.589 55.300 -0.171 0.000 0.927 352 M CB 1.141 33.653 32.600 -0.146 0.000 1.571 352 M HN 0.557 nan 8.290 nan 0.000 0.427 353 S N 4.840 120.586 115.700 0.076 0.000 2.456 353 S HA 0.640 5.110 4.470 0.000 0.000 0.316 353 S C -1.241 173.399 174.600 0.067 0.000 1.089 353 S CA -0.578 57.669 58.200 0.078 0.000 1.101 353 S CB 1.020 64.182 63.200 -0.064 0.000 0.995 353 S HN 0.578 nan 8.310 nan 0.000 0.468 354 V N 5.407 125.373 119.914 0.086 0.000 2.334 354 V HA 0.448 4.568 4.120 0.000 0.000 0.281 354 V C 0.270 176.422 176.094 0.096 0.000 1.016 354 V CA -0.565 61.788 62.300 0.087 0.000 0.832 354 V CB 0.543 32.418 31.823 0.088 0.000 0.999 354 V HN 1.120 nan 8.190 nan 0.000 0.439 355 E N 1.760 122.012 120.200 0.087 0.000 2.360 355 E HA -0.198 4.152 4.350 0.000 0.000 0.238 355 E C -0.111 176.538 176.600 0.082 0.000 1.186 355 E CA 0.504 56.959 56.400 0.092 0.000 0.719 355 E CB -0.569 29.192 29.700 0.102 0.000 1.236 355 E HN 0.798 nan 8.360 nan 0.000 0.386 356 D N -0.886 119.532 120.400 0.031 0.000 2.423 356 D HA 0.156 4.796 4.640 0.000 0.000 0.255 356 D C 1.469 177.737 176.300 -0.053 0.000 1.174 356 D CA -0.320 53.653 54.000 -0.046 0.000 1.008 356 D CB 1.386 42.112 40.800 -0.123 0.000 1.101 356 D HN -0.106 nan 8.370 nan 0.000 0.516 357 V N 0.446 120.278 119.914 -0.136 0.000 2.331 357 V HA -0.054 4.066 4.120 0.000 0.000 0.242 357 V C 1.017 176.998 176.094 -0.190 0.000 1.034 357 V CA 1.281 63.530 62.300 -0.085 0.000 1.027 357 V CB -0.150 31.692 31.823 0.032 0.000 0.667 357 V HN 0.320 nan 8.190 nan 0.000 0.457 358 R N -0.230 120.025 120.500 -0.409 0.000 2.407 358 R HA 0.393 4.734 4.340 0.000 0.000 0.298 358 R C 0.894 176.952 176.300 -0.404 0.000 1.166 358 R CA -0.065 55.808 56.100 -0.377 0.000 1.006 358 R CB 1.488 31.510 30.300 -0.463 0.000 1.145 358 R HN 0.229 nan 8.270 nan 0.000 0.538 359 S N 1.510 116.995 115.700 -0.359 0.000 2.365 359 S HA -0.133 4.337 4.470 0.000 0.000 0.225 359 S C 0.170 174.179 174.600 -0.985 0.000 1.039 359 S CA 1.396 59.236 58.200 -0.600 0.000 1.033 359 S CB -0.080 62.803 63.200 -0.529 0.000 0.887 359 S HN 0.463 nan 8.310 nan 0.000 0.447 360 Y N 0.777 120.934 120.300 -0.239 0.000 2.326 360 Y HA 0.494 5.044 4.550 0.000 0.000 0.329 360 Y C -0.052 175.474 175.900 -0.623 0.000 0.973 360 Y CA -0.790 57.072 58.100 -0.396 0.000 1.162 360 Y CB 0.962 39.162 38.460 -0.434 0.000 1.147 360 Y HN 0.051 nan 8.280 nan 0.000 0.456 361 N N 4.946 123.402 118.700 -0.407 0.000 2.577 361 N HA 0.409 5.149 4.740 0.000 0.000 0.275 361 N C -1.973 173.531 175.510 -0.010 0.000 1.091 361 N CA -0.306 52.572 53.050 -0.286 0.000 0.843 361 N CB 0.794 39.153 38.487 -0.212 0.000 1.295 361 N HN 0.495 nan 8.380 nan 0.000 0.530 362 F N 3.700 123.643 119.950 -0.012 0.000 2.444 362 F HA 0.577 5.104 4.527 0.000 0.000 0.342 362 F C 0.673 176.597 175.800 0.208 0.000 1.121 362 F CA -1.050 56.934 58.000 -0.028 0.000 0.997 362 F CB 1.461 40.308 39.000 -0.254 0.000 1.130 362 F HN 0.294 nan 8.300 nan 0.000 0.454 363 R N 1.299 122.146 120.500 0.579 0.000 2.728 363 R HA 0.434 4.774 4.340 0.000 0.000 0.274 363 R C -2.200 174.441 176.300 0.568 0.000 1.030 363 R CA -1.090 55.361 56.100 0.585 0.000 0.876 363 R CB 2.336 32.858 30.300 0.369 0.000 1.259 363 R HN 0.835 nan 8.270 nan 0.000 0.468 364 H N 1.476 120.781 119.070 0.391 0.000 3.108 364 H HA 0.366 4.922 4.556 0.000 0.000 0.301 364 H C -0.617 174.559 175.328 -0.253 0.000 1.139 364 H CA -0.784 55.283 56.048 0.033 0.000 1.552 364 H CB 0.950 30.648 29.762 -0.107 0.000 1.663 364 H HN 0.491 nan 8.280 nan 0.000 0.517 365 I N 4.173 124.779 120.570 0.060 0.000 2.752 365 I HA -0.021 4.149 4.170 0.000 0.000 0.289 365 I C 1.405 177.343 176.117 -0.298 0.000 1.197 365 I CA 1.850 63.082 61.300 -0.114 0.000 1.432 365 I CB 0.683 38.714 38.000 0.052 0.000 1.359 365 I HN 1.057 nan 8.210 nan 0.000 0.571 366 G N 4.356 112.900 108.800 -0.427 0.000 2.176 366 G HA2 -0.264 3.696 3.960 0.000 0.000 0.232 366 G HA3 -0.264 3.696 3.960 0.000 0.000 0.232 366 G C 0.226 174.562 174.900 -0.940 0.000 0.986 366 G CA -0.117 44.629 45.100 -0.589 0.000 0.643 366 G HN 0.813 nan 8.290 nan 0.000 0.522 367 H N -1.547 117.194 119.070 -0.548 0.000 2.750 367 H HA 0.454 5.010 4.556 0.000 0.000 0.239 367 H C 1.191 176.382 175.328 -0.228 0.000 1.210 367 H CA -0.033 55.782 56.048 -0.387 0.000 0.936 367 H CB 0.239 29.732 29.762 -0.448 0.000 2.074 367 H HN 0.569 nan 8.280 nan 0.000 0.622 368 H N -0.593 118.494 119.070 0.028 0.000 2.545 368 H HA 0.431 4.987 4.556 0.000 0.000 0.283 368 H C 1.255 176.670 175.328 0.145 0.000 0.997 368 H CA 0.159 56.270 56.048 0.105 0.000 1.269 368 H CB 0.752 30.509 29.762 -0.008 0.000 1.451 368 H HN 0.284 nan 8.280 nan 0.000 0.508 369 A N 1.192 124.109 122.820 0.162 0.000 2.483 369 A HA 0.340 4.660 4.320 0.000 0.000 0.238 369 A C 1.698 179.344 177.584 0.104 0.000 1.070 369 A CA 0.448 52.561 52.037 0.128 0.000 0.770 369 A CB -0.011 19.017 19.000 0.047 0.000 1.008 369 A HN 0.522 nan 8.150 nan 0.000 0.497 370 A N 1.422 124.299 122.820 0.095 0.000 2.024 370 A HA -0.068 4.252 4.320 0.000 0.000 0.220 370 A C 1.866 179.472 177.584 0.038 0.000 1.164 370 A CA 2.317 54.391 52.037 0.060 0.000 0.643 370 A CB -0.841 18.185 19.000 0.044 0.000 0.806 370 A HN 1.484 nan 8.150 nan 0.000 0.451 371 T N -3.538 111.033 114.554 0.029 0.000 3.092 371 T HA 0.639 4.989 4.350 0.000 0.000 0.258 371 T C 0.511 175.209 174.700 -0.005 0.000 1.031 371 T CA 0.323 62.430 62.100 0.011 0.000 0.925 371 T CB -0.102 68.770 68.868 0.007 0.000 1.036 371 T HN 0.556 nan 8.240 nan 0.000 0.544 372 A N 2.833 125.647 122.820 -0.009 0.000 2.271 372 A HA 0.729 5.049 4.320 0.000 0.000 0.288 372 A C -2.316 175.262 177.584 -0.009 0.000 1.094 372 A CA -1.868 50.141 52.037 -0.047 0.000 0.828 372 A CB 0.144 19.082 19.000 -0.103 0.000 1.091 372 A HN 0.310 nan 8.150 nan 0.000 0.493 373 P HA 0.181 nan 4.420 nan 0.000 0.271 373 P C -0.686 176.702 177.300 0.147 0.000 1.216 373 P CA -0.209 62.931 63.100 0.066 0.000 0.776 373 P CB 0.482 32.230 31.700 0.081 0.000 0.881 374 Q N 1.856 121.703 119.800 0.078 0.000 2.330 374 Q HA 0.102 4.442 4.340 0.000 0.000 0.279 374 Q C 0.174 176.159 176.000 -0.025 0.000 1.024 374 Q CA 0.276 56.109 55.803 0.050 0.000 0.900 374 Q CB 0.151 28.898 28.738 0.015 0.000 1.221 374 Q HN 0.440 nan 8.270 nan 0.000 0.396 375 S N 2.590 118.190 115.700 -0.167 0.000 2.563 375 S HA 0.015 4.485 4.470 0.000 0.000 0.294 375 S C 0.800 175.265 174.600 -0.225 0.000 1.279 375 S CA 0.003 57.933 58.200 -0.450 0.000 1.069 375 S CB 0.118 63.161 63.200 -0.261 0.000 0.828 375 S HN 0.730 nan 8.310 nan 0.000 0.497 376 V N 2.866 122.652 119.914 -0.214 0.000 3.649 376 V HA 0.185 4.305 4.120 0.000 0.000 0.275 376 V C 1.322 177.305 176.094 -0.185 0.000 1.281 376 V CA 1.055 63.258 62.300 -0.161 0.000 1.143 376 V CB -0.357 31.394 31.823 -0.120 0.000 0.892 376 V HN 0.878 nan 8.190 nan 0.000 0.441 377 S N 0.315 115.900 115.700 -0.192 0.000 2.575 377 S HA 0.489 4.959 4.470 0.000 0.000 0.230 377 S C 1.305 175.780 174.600 -0.208 0.000 1.062 377 S CA 0.512 58.584 58.200 -0.213 0.000 0.913 377 S CB 0.008 63.119 63.200 -0.147 0.000 0.837 377 S HN 0.994 nan 8.310 nan 0.000 0.487 378 A N 2.125 124.757 122.820 -0.313 0.000 2.785 378 A HA 0.555 4.875 4.320 0.000 0.000 0.294 378 A C -0.055 177.413 177.584 -0.193 0.000 1.597 378 A CA -0.146 51.502 52.037 -0.648 0.000 1.283 378 A CB -0.561 17.802 19.000 -1.061 0.000 1.088 378 A HN 0.512 nan 8.150 nan 0.000 0.568 379 K N 1.404 121.905 120.400 0.169 0.000 2.527 379 K HA 0.472 4.792 4.320 0.000 0.000 0.260 379 K C -1.089 175.711 176.600 0.334 0.000 0.937 379 K CA -1.119 55.364 56.287 0.328 0.000 0.826 379 K CB 1.611 34.223 32.500 0.186 0.000 1.359 379 K HN 0.488 nan 8.250 nan 0.000 0.434 380 N N 1.165 120.021 118.700 0.259 0.000 2.411 380 N HA -0.164 4.576 4.740 0.000 0.000 0.286 380 N C -1.695 173.808 175.510 -0.011 0.000 1.382 380 N CA 0.589 53.708 53.050 0.116 0.000 0.630 380 N CB -0.913 37.661 38.487 0.145 0.000 0.904 380 N HN 0.485 nan 8.380 nan 0.000 0.516 381 I N 1.032 121.526 120.570 -0.126 0.000 2.499 381 I HA 0.461 4.631 4.170 0.000 0.000 0.288 381 I C -0.339 175.655 176.117 -0.204 0.000 1.048 381 I CA -1.068 60.060 61.300 -0.286 0.000 1.062 381 I CB 1.979 39.604 38.000 -0.626 0.000 1.238 381 I HN 0.003 nan 8.210 nan 0.000 0.426 382 V N 5.423 125.232 119.914 -0.175 0.000 2.378 382 V HA 0.768 4.888 4.120 0.000 0.000 0.288 382 V C -0.080 175.934 176.094 -0.134 0.000 1.016 382 V CA -0.414 61.813 62.300 -0.122 0.000 0.840 382 V CB 1.515 33.289 31.823 -0.080 0.000 0.994 382 V HN 0.810 nan 8.190 nan 0.000 0.431 383 A N 3.877 126.630 122.820 -0.112 0.000 2.374 383 A HA 0.918 5.238 4.320 0.000 0.000 0.305 383 A C -0.419 177.102 177.584 -0.105 0.000 1.053 383 A CA -0.424 51.544 52.037 -0.116 0.000 0.726 383 A CB 1.805 20.752 19.000 -0.090 0.000 1.229 383 A HN 0.682 nan 8.150 nan 0.000 0.431 384 S N 1.134 116.771 115.700 -0.104 0.000 2.595 384 S HA 0.563 5.033 4.470 0.000 0.000 0.281 384 S C -0.018 174.536 174.600 -0.077 0.000 1.117 384 S CA -0.694 57.457 58.200 -0.081 0.000 0.873 384 S CB 1.290 64.456 63.200 -0.056 0.000 1.108 384 S HN 0.887 nan 8.310 nan 0.000 0.477 385 N N 1.331 119.997 118.700 -0.058 0.000 2.686 385 N HA -0.150 4.590 4.740 0.000 0.000 0.261 385 N C -1.081 174.406 175.510 -0.039 0.000 1.001 385 N CA 0.430 53.459 53.050 -0.036 0.000 0.764 385 N CB -1.084 37.391 38.487 -0.021 0.000 0.898 385 N HN 0.569 nan 8.380 nan 0.000 0.544 386 L N 0.688 121.860 121.223 -0.085 0.000 2.276 386 L HA 0.410 4.750 4.340 0.000 0.000 0.286 386 L C 0.557 177.456 176.870 0.050 0.000 1.061 386 L CA -0.706 54.061 54.840 -0.122 0.000 0.807 386 L CB 1.425 43.206 42.059 -0.464 0.000 1.177 386 L HN -0.172 nan 8.230 nan 0.000 0.429 387 V N 2.307 122.335 119.914 0.191 0.000 2.459 387 V HA 0.423 4.543 4.120 0.000 0.000 0.295 387 V C -0.037 176.243 176.094 0.311 0.000 1.029 387 V CA -0.418 62.001 62.300 0.198 0.000 0.874 387 V CB 1.790 33.678 31.823 0.108 0.000 0.985 387 V HN 0.798 nan 8.190 nan 0.000 0.438 388 S N 5.555 121.418 115.700 0.271 0.000 2.605 388 S HA 0.772 5.242 4.470 0.000 0.000 0.308 388 S C -1.055 173.679 174.600 0.224 0.000 1.113 388 S CA -0.464 57.877 58.200 0.236 0.000 1.049 388 S CB 0.735 64.085 63.200 0.250 0.000 1.001 388 S HN 0.533 nan 8.310 nan 0.000 0.480 389 I N 4.355 125.027 120.570 0.172 0.000 2.436 389 I HA 0.521 4.691 4.170 0.000 0.000 0.289 389 I C 0.348 176.558 176.117 0.155 0.000 1.010 389 I CA -0.824 60.583 61.300 0.177 0.000 1.098 389 I CB 1.605 39.675 38.000 0.117 0.000 1.266 389 I HN 0.779 nan 8.210 nan 0.000 0.434 390 R N 3.116 123.710 120.500 0.156 0.000 3.225 390 R HA -0.141 4.199 4.340 0.000 0.000 0.245 390 R C -2.394 173.982 176.300 0.126 0.000 0.928 390 R CA -0.231 55.932 56.100 0.105 0.000 0.632 390 R CB -1.655 28.695 30.300 0.083 0.000 1.038 390 R HN 0.372 nan 8.270 nan 0.000 0.461 391 P HA 0.015 nan 4.420 nan 0.000 0.271 391 P C -0.653 176.728 177.300 0.134 0.000 1.216 391 P CA 0.183 63.361 63.100 0.131 0.000 0.771 391 P CB 0.857 32.635 31.700 0.129 0.000 0.864 392 N N 0.636 119.403 118.700 0.112 0.000 3.046 392 N HA 0.257 4.997 4.740 0.000 0.000 0.243 392 N C -1.002 174.596 175.510 0.147 0.000 1.452 392 N CA -0.815 52.307 53.050 0.120 0.000 0.882 392 N CB 0.391 38.942 38.487 0.108 0.000 1.425 392 N HN 0.046 nan 8.380 nan 0.000 0.517 393 N N -0.447 118.344 118.700 0.152 0.000 2.599 393 N HA 0.260 5.000 4.740 0.000 0.000 0.309 393 N C -0.394 175.203 175.510 0.145 0.000 1.743 393 N CA -0.218 52.952 53.050 0.200 0.000 0.918 393 N CB 0.298 38.911 38.487 0.211 0.000 1.339 393 N HN 0.597 nan 8.380 nan 0.000 0.493 394 K N -0.325 120.148 120.400 0.122 0.000 2.152 394 K HA -0.027 4.293 4.320 0.000 0.000 0.206 394 K C 1.398 178.019 176.600 0.035 0.000 1.048 394 K CA 1.056 57.386 56.287 0.072 0.000 0.933 394 K CB 0.271 32.811 32.500 0.067 0.000 0.721 394 K HN 0.207 nan 8.250 nan 0.000 0.447 395 R N -0.607 119.915 120.500 0.036 0.000 2.275 395 R HA 0.001 4.341 4.340 0.000 0.000 0.199 395 R C 0.817 176.986 176.300 -0.219 0.000 0.989 395 R CA 0.654 56.672 56.100 -0.136 0.000 1.016 395 R CB 0.370 30.500 30.300 -0.284 0.000 0.918 395 R HN 0.397 nan 8.270 nan 0.000 0.473 396 G N 1.071 109.831 108.800 -0.068 0.000 2.160 396 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 396 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 396 G C 0.017 174.886 174.900 -0.051 0.000 1.022 396 G CA -0.346 44.726 45.100 -0.046 0.000 0.741 396 G HN 0.193 nan 8.290 nan 0.000 0.508 397 F N 0.429 120.400 119.950 0.035 0.000 2.595 397 F HA 0.311 4.838 4.527 0.000 0.000 0.359 397 F C 1.815 177.544 175.800 -0.118 0.000 1.147 397 F CA 1.231 59.223 58.000 -0.013 0.000 1.341 397 F CB 0.504 39.565 39.000 0.101 0.000 1.104 397 F HN 0.316 nan 8.300 nan 0.000 0.603 398 Q N 2.169 121.952 119.800 -0.028 0.000 2.451 398 Q HA -0.276 4.064 4.340 0.000 0.000 0.305 398 Q C -0.569 175.391 176.000 -0.067 0.000 1.345 398 Q CA 0.994 56.690 55.803 -0.179 0.000 0.854 398 Q CB -1.620 26.785 28.738 -0.555 0.000 1.162 398 Q HN 0.819 nan 8.270 nan 0.000 0.440 399 D N 0.522 120.905 120.400 -0.029 0.000 2.689 399 D HA -0.202 4.438 4.640 0.000 0.000 0.237 399 D C 0.048 176.358 176.300 0.017 0.000 1.148 399 D CA 1.280 55.274 54.000 -0.010 0.000 0.656 399 D CB -1.202 39.590 40.800 -0.014 0.000 1.050 399 D HN 0.617 nan 8.370 nan 0.000 0.426 400 N N -2.840 115.884 118.700 0.040 0.000 2.740 400 N HA -0.225 4.515 4.740 0.000 0.000 0.248 400 N C 0.358 175.923 175.510 0.092 0.000 1.062 400 N CA 1.109 54.201 53.050 0.071 0.000 0.704 400 N CB -1.441 37.075 38.487 0.048 0.000 0.968 400 N HN 0.667 nan 8.380 nan 0.000 0.547 401 A N 0.577 123.464 122.820 0.111 0.000 2.586 401 A HA 0.265 4.585 4.320 0.000 0.000 0.231 401 A C 1.222 178.908 177.584 0.169 0.000 1.055 401 A CA 0.837 52.964 52.037 0.150 0.000 0.756 401 A CB 0.150 19.290 19.000 0.233 0.000 0.988 401 A HN 0.451 nan 8.150 nan 0.000 0.509 402 T N 1.351 115.986 114.554 0.134 0.000 2.897 402 T HA 0.527 4.877 4.350 0.000 0.000 0.294 402 T C -2.571 172.191 174.700 0.103 0.000 1.004 402 T CA -1.527 60.641 62.100 0.112 0.000 1.106 402 T CB 0.691 69.613 68.868 0.091 0.000 0.949 402 T HN 0.432 nan 8.240 nan 0.000 0.520 403 P HA 0.362 nan 4.420 nan 0.000 0.272 403 P C -0.283 177.025 177.300 0.013 0.000 1.230 403 P CA -0.550 62.584 63.100 0.057 0.000 0.788 403 P CB 0.464 32.217 31.700 0.089 0.000 0.949 404 R N 1.045 121.522 120.500 -0.038 0.000 2.626 404 R HA 0.231 4.571 4.340 0.000 0.000 0.274 404 R C 0.627 176.873 176.300 -0.091 0.000 1.031 404 R CA -0.787 55.266 56.100 -0.078 0.000 0.898 404 R CB 1.263 31.506 30.300 -0.095 0.000 1.222 404 R HN 0.109 nan 8.270 nan 0.000 0.455 405 V N 1.389 121.236 119.914 -0.112 0.000 2.307 405 V HA -0.053 4.067 4.120 0.000 0.000 0.245 405 V C 0.688 176.775 176.094 -0.011 0.000 1.045 405 V CA 1.425 63.698 62.300 -0.046 0.000 1.024 405 V CB -0.168 31.608 31.823 -0.079 0.000 0.651 405 V HN 0.545 nan 8.190 nan 0.000 0.449 406 L N -0.558 120.620 121.223 -0.076 0.000 2.455 406 L HA 0.785 5.125 4.340 0.000 0.000 0.264 406 L C -0.877 175.895 176.870 -0.163 0.000 0.968 406 L CA -0.369 54.398 54.840 -0.120 0.000 0.827 406 L CB 1.737 43.731 42.059 -0.109 0.000 1.317 406 L HN -0.027 nan 8.230 nan 0.000 0.407 407 A N 4.686 127.362 122.820 -0.240 0.000 2.357 407 A HA 0.799 5.119 4.320 0.000 0.000 0.295 407 A C -1.607 175.871 177.584 -0.176 0.000 1.121 407 A CA -0.499 51.444 52.037 -0.157 0.000 0.742 407 A CB 1.469 20.403 19.000 -0.109 0.000 1.181 407 A HN 0.533 nan 8.150 nan 0.000 0.454 408 V N 2.449 122.328 119.914 -0.058 0.000 2.495 408 V HA 0.811 4.931 4.120 0.000 0.000 0.298 408 V C 0.122 176.303 176.094 0.145 0.000 1.031 408 V CA -0.163 62.178 62.300 0.069 0.000 0.871 408 V CB 1.540 33.426 31.823 0.104 0.000 0.988 408 V HN 1.197 nan 8.190 nan 0.000 0.432 409 S N 2.564 118.417 115.700 0.255 0.000 2.579 409 S HA 0.831 5.301 4.470 0.000 0.000 0.272 409 S C 0.365 175.234 174.600 0.448 0.000 1.141 409 S CA 0.276 58.644 58.200 0.281 0.000 0.843 409 S CB 2.013 65.264 63.200 0.086 0.000 1.122 409 S HN 2.341 nan 8.310 nan 0.000 0.468 410 A N 0.054 123.137 122.820 0.438 0.000 3.292 410 A HA -0.242 4.078 4.320 0.000 0.000 0.241 410 A C 0.197 177.895 177.584 0.189 0.000 0.569 410 A CA 1.476 53.713 52.037 0.333 0.000 1.149 410 A CB -2.733 16.461 19.000 0.325 0.000 1.321 410 A HN 1.205 nan 8.150 nan 0.000 0.679 411 Y N -0.778 119.650 120.300 0.213 0.000 2.411 411 Y HA 0.423 4.973 4.550 0.000 0.000 0.333 411 Y C 0.438 176.432 175.900 0.156 0.000 1.186 411 Y CA 1.087 59.285 58.100 0.164 0.000 1.381 411 Y CB 0.254 38.792 38.460 0.131 0.000 1.273 411 Y HN 0.461 nan 8.280 nan 0.000 0.546 412 Y N 1.469 121.870 120.300 0.168 0.000 2.323 412 Y HA 0.504 5.054 4.550 0.000 0.000 0.331 412 Y C 0.531 176.507 175.900 0.127 0.000 1.092 412 Y CA -0.724 57.442 58.100 0.110 0.000 1.150 412 Y CB 1.280 39.766 38.460 0.043 0.000 1.200 412 Y HN 0.799 nan 8.280 nan 0.000 0.472 413 G N 4.026 112.361 108.800 -0.775 0.000 2.385 413 G HA2 -0.161 3.799 3.960 0.000 0.000 0.294 413 G HA3 -0.161 3.799 3.960 0.000 0.000 0.294 413 G C -1.306 173.468 174.900 -0.210 0.000 1.070 413 G CA 0.088 44.796 45.100 -0.653 0.000 1.172 413 G HN 0.773 nan 8.290 nan 0.000 0.516 414 V N 0.654 120.485 119.914 -0.138 0.000 2.370 414 V HA 0.597 4.717 4.120 0.000 0.000 0.283 414 V C 0.470 176.523 176.094 -0.068 0.000 1.023 414 V CA -0.805 61.451 62.300 -0.074 0.000 0.857 414 V CB 1.948 33.782 31.823 0.019 0.000 0.985 414 V HN 0.433 nan 8.190 nan 0.000 0.443 415 V N 6.358 126.230 119.914 -0.070 0.000 2.350 415 V HA 0.496 4.616 4.120 0.000 0.000 0.285 415 V C -0.343 175.723 176.094 -0.047 0.000 1.014 415 V CA -0.444 61.822 62.300 -0.058 0.000 0.831 415 V CB 1.609 33.395 31.823 -0.061 0.000 1.000 415 V HN 0.592 nan 8.190 nan 0.000 0.433 416 I N 4.223 124.771 120.570 -0.036 0.000 2.378 416 I HA 0.477 4.647 4.170 0.000 0.000 0.291 416 I C -0.281 175.810 176.117 -0.043 0.000 0.992 416 I CA -0.383 60.893 61.300 -0.040 0.000 1.154 416 I CB 1.538 39.518 38.000 -0.033 0.000 1.315 416 I HN 0.668 nan 8.210 nan 0.000 0.448 417 N N 3.642 122.312 118.700 -0.050 0.000 2.430 417 N HA 0.591 5.331 4.740 0.000 0.000 0.290 417 N C -0.258 175.228 175.510 -0.040 0.000 1.063 417 N CA -0.139 52.887 53.050 -0.039 0.000 0.883 417 N CB 1.617 40.084 38.487 -0.033 0.000 1.465 417 N HN 0.886 nan 8.380 nan 0.000 0.493 418 G N 2.352 111.135 108.800 -0.028 0.000 2.738 418 G HA2 -0.153 3.807 3.960 0.000 0.000 0.262 418 G HA3 -0.153 3.807 3.960 0.000 0.000 0.262 418 G C -1.281 173.602 174.900 -0.028 0.000 1.032 418 G CA -0.139 44.948 45.100 -0.021 0.000 1.278 418 G HN 0.601 nan 8.290 nan 0.000 0.537 419 L N 2.052 123.266 121.223 -0.015 0.000 2.356 419 L HA 0.925 5.265 4.340 0.000 0.000 0.277 419 L C 0.052 176.946 176.870 0.038 0.000 0.996 419 L CA -0.194 54.640 54.840 -0.010 0.000 0.822 419 L CB 2.487 44.527 42.059 -0.032 0.000 1.256 419 L HN 0.527 nan 8.230 nan 0.000 0.413 420 T N 3.511 118.108 114.554 0.073 0.000 2.809 420 T HA 0.793 5.143 4.350 0.000 0.000 0.284 420 T C -0.262 174.548 174.700 0.184 0.000 0.992 420 T CA -0.135 62.038 62.100 0.122 0.000 0.957 420 T CB 0.619 69.556 68.868 0.113 0.000 0.942 420 T HN 0.924 nan 8.240 nan 0.000 0.439 421 G N 3.489 112.428 108.800 0.231 0.000 2.416 421 G HA2 0.608 4.568 3.960 0.000 0.000 0.324 421 G HA3 0.608 4.568 3.960 0.000 0.000 0.324 421 G C -1.953 173.236 174.900 0.482 0.000 1.194 421 G CA -0.554 44.753 45.100 0.344 0.000 0.922 421 G HN 0.731 nan 8.290 nan 0.000 0.467 422 Y N 1.039 121.504 120.300 0.274 0.000 2.421 422 Y HA 0.668 5.218 4.550 0.000 0.000 0.339 422 Y C -0.306 175.519 175.900 -0.124 0.000 0.996 422 Y CA -0.602 57.534 58.100 0.061 0.000 1.046 422 Y CB 2.651 41.132 38.460 0.035 0.000 1.226 422 Y HN 0.707 nan 8.280 nan 0.000 0.445 423 T N 2.972 117.038 114.554 -0.813 0.000 2.896 423 T HA 0.287 4.637 4.350 0.000 0.000 0.297 423 T C -0.763 173.591 174.700 -0.577 0.000 1.108 423 T CA -0.460 61.308 62.100 -0.553 0.000 1.004 423 T CB 1.084 69.517 68.868 -0.724 0.000 1.159 423 T HN 0.751 nan 8.240 nan 0.000 0.499 424 D N 0.895 121.170 120.400 -0.209 0.000 2.479 424 D HA 0.229 4.869 4.640 0.000 0.000 0.218 424 D C -0.281 175.953 176.300 -0.110 0.000 1.177 424 D CA -0.147 53.781 54.000 -0.119 0.000 0.830 424 D CB 0.454 41.286 40.800 0.053 0.000 1.014 424 D HN 0.360 nan 8.370 nan 0.000 0.503 425 D N 0.685 121.000 120.400 -0.142 0.000 2.402 425 D HA 0.236 4.876 4.640 0.000 0.000 0.252 425 D C -2.094 174.144 176.300 -0.103 0.000 1.294 425 D CA -1.854 52.094 54.000 -0.087 0.000 0.948 425 D CB 2.343 43.120 40.800 -0.037 0.000 1.202 425 D HN -0.247 nan 8.370 nan 0.000 0.561 426 P HA 0.002 nan 4.420 nan 0.000 0.225 426 P C 0.772 178.070 177.300 -0.004 0.000 1.148 426 P CA 0.560 63.622 63.100 -0.064 0.000 0.779 426 P CB 0.400 32.068 31.700 -0.053 0.000 0.780 427 N N -1.064 117.635 118.700 -0.001 0.000 2.412 427 N HA 0.086 4.826 4.740 0.000 0.000 0.184 427 N C 1.475 177.010 175.510 0.042 0.000 1.101 427 N CA 0.418 53.481 53.050 0.022 0.000 0.881 427 N CB -0.179 38.317 38.487 0.014 0.000 0.969 427 N HN 0.248 nan 8.380 nan 0.000 0.459 428 L N -0.128 121.123 121.223 0.046 0.000 2.131 428 L HA 0.121 4.461 4.340 0.000 0.000 0.206 428 L C 0.875 177.808 176.870 0.105 0.000 1.087 428 L CA 0.702 55.584 54.840 0.071 0.000 0.767 428 L CB 0.108 42.208 42.059 0.068 0.000 0.917 428 L HN 0.076 nan 8.230 nan 0.000 0.441 429 L N -1.048 120.260 121.223 0.142 0.000 2.372 429 L HA 0.301 4.641 4.340 0.000 0.000 0.274 429 L C 0.143 177.105 176.870 0.155 0.000 0.988 429 L CA -0.030 54.913 54.840 0.172 0.000 0.833 429 L CB 1.899 44.124 42.059 0.276 0.000 1.236 429 L HN -0.226 nan 8.230 nan 0.000 0.410 430 T N 1.820 116.438 114.554 0.106 0.000 3.009 430 T HA 0.102 4.452 4.350 0.000 0.000 0.267 430 T C 0.808 175.551 174.700 0.071 0.000 0.942 430 T CA 0.236 62.387 62.100 0.086 0.000 0.883 430 T CB 0.557 69.466 68.868 0.069 0.000 1.192 430 T HN 0.772 nan 8.240 nan 0.000 0.524 431 E N 0.682 120.922 120.200 0.068 0.000 2.068 431 E HA 0.139 4.489 4.350 0.000 0.000 0.201 431 E C -0.366 176.263 176.600 0.048 0.000 0.947 431 E CA 0.625 57.061 56.400 0.060 0.000 0.909 431 E CB 0.737 30.479 29.700 0.070 0.000 1.015 431 E HN 0.129 nan 8.360 nan 0.000 0.484 432 T N 0.597 115.176 114.554 0.041 0.000 2.881 432 T HA 0.261 4.611 4.350 0.000 0.000 0.290 432 T C 0.645 175.314 174.700 -0.052 0.000 1.000 432 T CA -0.629 61.486 62.100 0.024 0.000 0.978 432 T CB 2.081 71.004 68.868 0.092 0.000 0.997 432 T HN 0.016 nan 8.240 nan 0.000 0.443 433 V N 2.651 122.482 119.914 -0.139 0.000 2.323 433 V HA 0.058 4.178 4.120 0.000 0.000 0.244 433 V C 0.712 176.682 176.094 -0.207 0.000 1.041 433 V CA 0.962 63.070 62.300 -0.320 0.000 1.025 433 V CB -0.041 31.424 31.823 -0.597 0.000 0.656 433 V HN 0.634 nan 8.190 nan 0.000 0.451 434 V N 1.137 120.978 119.914 -0.122 0.000 2.525 434 V HA 0.568 4.688 4.120 0.000 0.000 0.299 434 V C -0.472 175.600 176.094 -0.036 0.000 1.034 434 V CA -0.299 61.951 62.300 -0.084 0.000 0.863 434 V CB 1.816 33.592 31.823 -0.079 0.000 0.999 434 V HN 0.460 nan 8.190 nan 0.000 0.423 435 S N 3.908 119.582 115.700 -0.042 0.000 2.500 435 S HA 0.828 5.298 4.470 0.000 0.000 0.301 435 S C -0.953 173.611 174.600 -0.059 0.000 1.092 435 S CA -0.759 57.418 58.200 -0.038 0.000 1.030 435 S CB 1.953 65.146 63.200 -0.012 0.000 1.031 435 S HN 0.403 nan 8.310 nan 0.000 0.483 436 V N 3.481 123.339 119.914 -0.094 0.000 2.325 436 V HA 0.529 4.649 4.120 0.000 0.000 0.280 436 V C -0.298 175.706 176.094 -0.151 0.000 1.016 436 V CA -0.231 62.023 62.300 -0.076 0.000 0.818 436 V CB 0.329 32.119 31.823 -0.056 0.000 1.019 436 V HN 1.011 nan 8.190 nan 0.000 0.434 437 Q N 2.164 121.888 119.800 -0.128 0.000 2.814 437 Q HA 0.640 4.980 4.340 0.000 0.000 0.322 437 Q C -0.810 175.122 176.000 -0.113 0.000 0.888 437 Q CA -1.265 54.350 55.803 -0.315 0.000 0.768 437 Q CB 2.224 30.566 28.738 -0.661 0.000 1.443 437 Q HN 0.490 nan 8.270 nan 0.000 0.497 438 F N 1.100 121.022 119.950 -0.046 0.000 2.983 438 F HA -0.300 4.227 4.527 0.000 0.000 0.288 438 F C 0.573 176.439 175.800 0.111 0.000 0.980 438 F CA 0.844 58.852 58.000 0.013 0.000 0.965 438 F CB -1.200 37.743 39.000 -0.095 0.000 0.967 438 F HN 0.674 nan 8.300 nan 0.000 0.800 439 R N -3.020 117.584 120.500 0.174 0.000 3.840 439 R HA -0.186 4.154 4.340 0.000 0.000 0.464 439 R C 0.689 177.084 176.300 0.159 0.000 0.986 439 R CA 0.629 56.824 56.100 0.159 0.000 1.305 439 R CB -1.628 28.785 30.300 0.189 0.000 1.950 439 R HN 0.690 nan 8.270 nan 0.000 0.526 440 A N 2.031 124.946 122.820 0.159 0.000 2.540 440 A HA 0.342 4.662 4.320 0.000 0.000 0.239 440 A C 0.663 178.304 177.584 0.094 0.000 1.061 440 A CA 0.642 52.771 52.037 0.153 0.000 0.758 440 A CB 0.139 19.219 19.000 0.134 0.000 0.991 440 A HN 0.412 nan 8.150 nan 0.000 0.502 441 R N 1.605 122.166 120.500 0.102 0.000 2.739 441 R HA 0.537 4.877 4.340 0.000 0.000 0.271 441 R C -0.552 175.747 176.300 -0.001 0.000 1.010 441 R CA -0.897 55.245 56.100 0.071 0.000 0.897 441 R CB 0.765 31.141 30.300 0.126 0.000 1.236 441 R HN 0.629 nan 8.270 nan 0.000 0.466 442 N N -0.158 118.523 118.700 -0.031 0.000 2.714 442 N HA -0.165 4.575 4.740 0.000 0.000 0.253 442 N C -0.996 174.405 175.510 -0.182 0.000 1.024 442 N CA 1.073 54.043 53.050 -0.133 0.000 0.726 442 N CB -1.049 37.283 38.487 -0.259 0.000 0.908 442 N HN 0.540 nan 8.380 nan 0.000 0.542 443 C N 0.166 119.411 119.300 -0.091 0.000 2.397 443 C HA 0.696 5.156 4.460 0.000 0.000 0.343 443 C C 0.927 175.884 174.990 -0.055 0.000 1.188 443 C CA -0.428 58.549 59.018 -0.069 0.000 1.992 443 C CB 1.989 29.715 27.740 -0.024 0.000 2.358 443 C HN 0.469 nan 8.230 nan 0.000 0.518 444 S N 1.725 117.396 115.700 -0.049 0.000 2.614 444 S HA 0.764 5.234 4.470 0.000 0.000 0.288 444 S C -1.438 173.143 174.600 -0.032 0.000 1.137 444 S CA -0.460 57.716 58.200 -0.040 0.000 0.992 444 S CB 0.374 63.548 63.200 -0.044 0.000 1.026 444 S HN 0.605 nan 8.310 nan 0.000 0.486 445 L N 4.988 126.194 121.223 -0.028 0.000 2.356 445 L HA 0.653 4.993 4.340 0.000 0.000 0.277 445 L C -0.150 176.707 176.870 -0.023 0.000 0.996 445 L CA -0.694 54.130 54.840 -0.027 0.000 0.822 445 L CB 1.807 43.850 42.059 -0.026 0.000 1.256 445 L HN 0.609 nan 8.230 nan 0.000 0.413 446 N N 2.183 120.870 118.700 -0.022 0.000 2.336 446 N HA 0.393 5.133 4.740 0.000 0.000 0.290 446 N C -0.137 175.365 175.510 -0.014 0.000 1.058 446 N CA 0.216 53.256 53.050 -0.016 0.000 0.865 446 N CB 2.668 41.146 38.487 -0.015 0.000 1.581 446 N HN 0.773 nan 8.380 nan 0.000 0.480 447 G N 1.613 110.409 108.800 -0.007 0.000 2.470 447 G HA2 -0.156 3.804 3.960 0.000 0.000 0.286 447 G HA3 -0.156 3.804 3.960 0.000 0.000 0.286 447 G C -0.910 173.991 174.900 0.002 0.000 1.115 447 G CA 0.044 45.144 45.100 -0.001 0.000 1.122 447 G HN 0.459 nan 8.290 nan 0.000 0.522 448 V N 0.546 120.464 119.914 0.007 0.000 2.495 448 V HA 0.698 4.818 4.120 0.000 0.000 0.298 448 V C 0.326 176.441 176.094 0.035 0.000 1.031 448 V CA -0.876 61.433 62.300 0.015 0.000 0.871 448 V CB 2.156 33.981 31.823 0.003 0.000 0.988 448 V HN 0.589 nan 8.190 nan 0.000 0.432 449 V N 6.323 126.272 119.914 0.057 0.000 2.407 449 V HA 0.512 4.632 4.120 0.000 0.000 0.291 449 V C -0.432 175.735 176.094 0.123 0.000 1.018 449 V CA -0.449 61.902 62.300 0.084 0.000 0.842 449 V CB 1.521 33.400 31.823 0.093 0.000 0.996 449 V HN 0.646 nan 8.190 nan 0.000 0.426 450 L N 4.339 125.639 121.223 0.128 0.000 2.305 450 L HA 0.714 5.054 4.340 0.000 0.000 0.284 450 L C -0.084 176.928 176.870 0.236 0.000 1.013 450 L CA -0.113 54.850 54.840 0.204 0.000 0.819 450 L CB 2.034 44.158 42.059 0.109 0.000 1.227 450 L HN 0.573 nan 8.230 nan 0.000 0.417 451 T N 1.328 116.027 114.554 0.242 0.000 2.879 451 T HA 0.564 4.915 4.350 0.000 0.000 0.290 451 T C 0.669 175.149 174.700 -0.366 0.000 0.993 451 T CA 0.196 62.286 62.100 -0.016 0.000 0.975 451 T CB 1.771 70.614 68.868 -0.042 0.000 0.981 451 T HN 0.946 nan 8.240 nan 0.000 0.439 452 G N 2.052 110.666 108.800 -0.311 0.000 2.176 452 G HA2 -0.214 3.746 3.960 0.000 0.000 0.232 452 G HA3 -0.214 3.746 3.960 0.000 0.000 0.232 452 G C 0.154 174.778 174.900 -0.460 0.000 0.986 452 G CA -0.586 44.220 45.100 -0.490 0.000 0.643 452 G HN 0.665 nan 8.290 nan 0.000 0.522 453 F N 2.923 122.815 119.950 -0.096 0.000 2.733 453 F HA 0.373 4.900 4.527 0.000 0.000 0.344 453 F C 1.926 177.704 175.800 -0.036 0.000 1.179 453 F CA 0.425 58.395 58.000 -0.051 0.000 1.316 453 F CB 0.422 39.408 39.000 -0.023 0.000 1.577 453 F HN 0.213 nan 8.300 nan 0.000 0.591 454 S N -1.620 114.095 115.700 0.024 0.000 2.607 454 S HA -0.077 4.393 4.470 0.000 0.000 0.224 454 S C 1.269 175.876 174.600 0.010 0.000 0.969 454 S CA 0.406 58.608 58.200 0.004 0.000 0.927 454 S CB -0.233 62.938 63.200 -0.047 0.000 0.772 454 S HN 0.439 nan 8.310 nan 0.000 0.533 455 N N 1.870 120.593 118.700 0.038 0.000 2.291 455 N HA 0.180 4.920 4.740 0.000 0.000 0.244 455 N C -0.519 175.031 175.510 0.067 0.000 1.216 455 N CA -0.086 52.985 53.050 0.036 0.000 0.879 455 N CB 0.885 39.385 38.487 0.022 0.000 1.167 455 N HN 0.486 nan 8.380 nan 0.000 0.515 456 S N -1.155 114.605 115.700 0.100 0.000 2.585 456 S HA 0.290 4.760 4.470 0.000 0.000 0.277 456 S C 1.141 175.789 174.600 0.079 0.000 1.241 456 S CA -0.563 57.695 58.200 0.096 0.000 1.041 456 S CB 2.229 65.497 63.200 0.114 0.000 0.987 456 S HN 0.132 nan 8.310 nan 0.000 0.512 457 E N 1.980 122.222 120.200 0.070 0.000 2.072 457 E HA -0.028 4.322 4.350 0.000 0.000 0.191 457 E C -0.213 176.458 176.600 0.117 0.000 0.985 457 E CA 1.160 57.613 56.400 0.088 0.000 0.801 457 E CB 0.118 29.852 29.700 0.056 0.000 0.750 457 E HN 0.727 nan 8.360 nan 0.000 0.452 458 N N -1.001 117.734 118.700 0.059 0.000 2.249 458 N HA 0.248 4.988 4.740 0.000 0.000 0.296 458 N C 0.136 175.669 175.510 0.039 0.000 1.051 458 N CA 0.227 53.304 53.050 0.045 0.000 0.815 458 N CB 1.824 40.284 38.487 -0.046 0.000 1.487 458 N HN 0.153 nan 8.380 nan 0.000 0.475 459 G N 1.417 110.249 108.800 0.053 0.000 2.551 459 G HA2 0.121 4.081 3.960 0.000 0.000 0.214 459 G HA3 0.121 4.081 3.960 0.000 0.000 0.214 459 G C 0.381 175.273 174.900 -0.014 0.000 1.250 459 G CA 0.493 45.596 45.100 0.005 0.000 0.825 459 G HN 0.529 nan 8.290 nan 0.000 0.549 460 I N -0.332 120.251 120.570 0.022 0.000 2.406 460 I HA 0.360 4.530 4.170 0.000 0.000 0.290 460 I C -1.576 174.610 176.117 0.115 0.000 0.999 460 I CA -0.919 60.400 61.300 0.032 0.000 1.124 460 I CB 2.235 40.240 38.000 0.008 0.000 1.289 460 I HN 0.103 nan 8.210 nan 0.000 0.441 461 Y N 7.105 127.368 120.300 -0.061 0.000 2.326 461 Y HA 0.607 5.157 4.550 0.000 0.000 0.329 461 Y C -1.172 174.676 175.900 -0.087 0.000 0.973 461 Y CA -1.288 56.767 58.100 -0.075 0.000 1.162 461 Y CB 1.438 39.850 38.460 -0.080 0.000 1.147 461 Y HN 0.201 nan 8.280 nan 0.000 0.456 462 V N 7.933 127.773 119.914 -0.123 0.000 2.459 462 V HA 0.543 4.663 4.120 0.000 0.000 0.295 462 V C -0.265 175.596 176.094 -0.389 0.000 1.029 462 V CA -0.740 61.415 62.300 -0.242 0.000 0.874 462 V CB 1.689 33.450 31.823 -0.102 0.000 0.985 462 V HN 0.633 nan 8.190 nan 0.000 0.438 463 I N 3.316 123.627 120.570 -0.432 0.000 2.498 463 I HA 0.690 4.860 4.170 0.000 0.000 0.290 463 I C 0.669 176.641 176.117 -0.240 0.000 1.032 463 I CA -0.324 60.746 61.300 -0.383 0.000 1.073 463 I CB 2.168 39.840 38.000 -0.546 0.000 1.251 463 I HN 0.732 nan 8.210 nan 0.000 0.426 464 G N 2.579 111.286 108.800 -0.154 0.000 2.613 464 G HA2 0.540 4.500 3.960 0.000 0.000 0.303 464 G HA3 0.540 4.500 3.960 0.000 0.000 0.303 464 G C 0.477 175.337 174.900 -0.066 0.000 1.312 464 G CA -0.331 44.715 45.100 -0.089 0.000 1.036 464 G HN 0.750 nan 8.290 nan 0.000 0.513 465 G N -1.216 107.568 108.800 -0.026 0.000 3.377 465 G HA2 0.340 4.300 3.960 0.000 0.000 0.257 465 G HA3 0.340 4.300 3.960 0.000 0.000 0.257 465 G C 0.405 175.309 174.900 0.007 0.000 1.038 465 G CA 0.623 45.721 45.100 -0.003 0.000 0.809 465 G HN 0.747 nan 8.290 nan 0.000 0.526 466 S N 0.482 116.184 115.700 0.002 0.000 2.429 466 S HA 0.719 5.189 4.470 0.000 0.000 0.302 466 S C -0.058 174.547 174.600 0.008 0.000 1.115 466 S CA -0.661 57.538 58.200 -0.001 0.000 1.095 466 S CB 0.745 63.942 63.200 -0.006 0.000 0.987 466 S HN 0.363 nan 8.310 nan 0.000 0.474 467 R N 2.319 122.828 120.500 0.014 0.000 2.795 467 R HA 0.594 4.934 4.340 0.000 0.000 0.275 467 R C 0.285 176.597 176.300 0.021 0.000 0.981 467 R CA -0.877 55.235 56.100 0.020 0.000 0.917 467 R CB 1.423 31.742 30.300 0.032 0.000 1.202 467 R HN 0.675 nan 8.270 nan 0.000 0.469 468 G N -0.426 108.384 108.800 0.018 0.000 2.442 468 G HA2 0.378 4.338 3.960 0.000 0.000 0.249 468 G HA3 0.378 4.338 3.960 0.000 0.000 0.249 468 G C 0.838 175.755 174.900 0.028 0.000 1.263 468 G CA 0.289 45.399 45.100 0.017 0.000 0.846 468 G HN 0.820 nan 8.290 nan 0.000 0.555 469 G N 1.351 110.169 108.800 0.030 0.000 2.155 469 G HA2 -0.266 3.694 3.960 0.000 0.000 0.257 469 G HA3 -0.266 3.694 3.960 0.000 0.000 0.257 469 G C 0.338 175.276 174.900 0.063 0.000 0.983 469 G CA 0.530 45.656 45.100 0.044 0.000 0.676 469 G HN 0.918 nan 8.290 nan 0.000 0.528 470 D N 0.504 120.934 120.400 0.051 0.000 2.358 470 D HA 0.753 5.393 4.640 0.000 0.000 0.244 470 D C 0.349 176.666 176.300 0.029 0.000 1.163 470 D CA 0.917 54.948 54.000 0.051 0.000 0.945 470 D CB 1.267 42.089 40.800 0.037 0.000 1.152 470 D HN 1.208 nan 8.370 nan 0.000 0.451 471 A N 0.998 123.828 122.820 0.016 0.000 2.594 471 A HA 0.512 4.832 4.320 0.000 0.000 0.296 471 A C -1.755 175.819 177.584 -0.016 0.000 1.061 471 A CA -0.643 51.394 52.037 -0.000 0.000 0.689 471 A CB 1.364 20.365 19.000 0.002 0.000 1.280 471 A HN 0.390 nan 8.150 nan 0.000 0.406 472 V N 2.725 122.627 119.914 -0.020 0.000 2.577 472 V HA 0.655 4.775 4.120 0.000 0.000 0.303 472 V C -1.622 174.455 176.094 -0.027 0.000 1.042 472 V CA -0.815 61.468 62.300 -0.028 0.000 0.872 472 V CB 1.930 33.733 31.823 -0.033 0.000 0.998 472 V HN 0.850 nan 8.190 nan 0.000 0.423 473 N N 7.277 125.960 118.700 -0.028 0.000 2.407 473 N HA 0.586 5.326 4.740 0.000 0.000 0.277 473 N C -1.102 174.392 175.510 -0.027 0.000 0.995 473 N CA -0.155 52.880 53.050 -0.025 0.000 0.903 473 N CB 2.177 40.652 38.487 -0.020 0.000 1.218 473 N HN 0.615 nan 8.380 nan 0.000 0.487 474 I N 1.346 121.899 120.570 -0.028 0.000 2.439 474 I HA 0.308 4.478 4.170 0.000 0.000 0.285 474 I C -0.246 175.856 176.117 -0.026 0.000 1.021 474 I CA -0.548 60.736 61.300 -0.027 0.000 1.091 474 I CB 1.473 39.457 38.000 -0.028 0.000 1.242 474 I HN 0.417 nan 8.210 nan 0.000 0.439 475 S N 3.973 119.661 115.700 -0.020 0.000 2.564 475 S HA 0.514 4.984 4.470 0.000 0.000 0.274 475 S C -0.369 174.224 174.600 -0.012 0.000 1.124 475 S CA -0.879 57.311 58.200 -0.017 0.000 0.869 475 S CB 1.872 65.065 63.200 -0.011 0.000 1.105 475 S HN 0.663 nan 8.310 nan 0.000 0.472 476 N N -0.371 118.323 118.700 -0.009 0.000 2.708 476 N HA -0.108 4.632 4.740 0.000 0.000 0.255 476 N C -1.031 174.479 175.510 -0.000 0.000 1.046 476 N CA 0.638 53.687 53.050 -0.003 0.000 0.715 476 N CB -1.399 37.088 38.487 0.000 0.000 0.895 476 N HN 0.634 nan 8.380 nan 0.000 0.545 477 V N 0.169 120.082 119.914 -0.002 0.000 2.513 477 V HA 0.653 4.773 4.120 0.000 0.000 0.299 477 V C 0.640 176.741 176.094 0.011 0.000 1.035 477 V CA -0.410 61.892 62.300 0.003 0.000 0.889 477 V CB 2.241 34.061 31.823 -0.005 0.000 0.988 477 V HN 0.358 nan 8.190 nan 0.000 0.440 478 T N 5.869 120.440 114.554 0.027 0.000 2.881 478 T HA 0.703 5.053 4.350 0.000 0.000 0.290 478 T C -1.269 173.467 174.700 0.061 0.000 1.000 478 T CA -0.376 61.747 62.100 0.040 0.000 0.978 478 T CB 0.790 69.683 68.868 0.041 0.000 0.997 478 T HN 0.455 nan 8.240 nan 0.000 0.443 479 L N 4.904 126.172 121.223 0.075 0.000 2.349 479 L HA 0.546 4.886 4.340 0.000 0.000 0.278 479 L C -0.051 176.890 176.870 0.118 0.000 0.996 479 L CA -0.900 54.003 54.840 0.106 0.000 0.825 479 L CB 1.772 43.904 42.059 0.122 0.000 1.243 479 L HN 0.645 nan 8.230 nan 0.000 0.412 480 N N 3.474 122.237 118.700 0.105 0.000 2.558 480 N HA 0.215 4.955 4.740 0.000 0.000 0.242 480 N C -0.370 175.169 175.510 0.048 0.000 0.979 480 N CA -0.365 52.728 53.050 0.070 0.000 0.931 480 N CB 0.371 38.888 38.487 0.050 0.000 1.122 480 N HN 0.503 nan 8.380 nan 0.000 0.508 481 N N 1.301 120.024 118.700 0.039 0.000 2.714 481 N HA -0.178 4.562 4.740 0.000 0.000 0.252 481 N C -1.316 174.227 175.510 0.055 0.000 1.014 481 N CA 0.897 53.947 53.050 -0.001 0.000 0.735 481 N CB -1.092 37.368 38.487 -0.045 0.000 0.924 481 N HN 0.355 nan 8.380 nan 0.000 0.540 482 S N 0.097 115.877 115.700 0.132 0.000 2.539 482 S HA 0.650 5.120 4.470 0.000 0.000 0.235 482 S C 0.492 175.202 174.600 0.182 0.000 1.326 482 S CA -0.135 58.186 58.200 0.202 0.000 1.183 482 S CB 1.654 65.020 63.200 0.277 0.000 1.073 482 S HN 0.807 nan 8.310 nan 0.000 0.480 483 G N 2.467 111.359 108.800 0.154 0.000 3.444 483 G HA2 -0.119 3.841 3.960 0.000 0.000 0.685 483 G HA3 -0.119 3.841 3.960 0.000 0.000 0.685 483 G C 0.151 175.158 174.900 0.179 0.000 1.145 483 G CA -0.996 44.195 45.100 0.150 0.000 0.973 483 G HN 0.559 nan 8.290 nan 0.000 0.525 484 R N 0.441 121.003 120.500 0.102 0.000 2.105 484 R HA -0.080 4.260 4.340 0.000 0.000 0.239 484 R C 0.281 176.566 176.300 -0.025 0.000 1.135 484 R CA 1.332 57.438 56.100 0.010 0.000 0.967 484 R CB 0.018 30.292 30.300 -0.044 0.000 0.861 484 R HN 0.575 nan 8.270 nan 0.000 0.442 485 Y N -0.636 119.717 120.300 0.089 0.000 2.356 485 Y HA 0.239 4.789 4.550 0.000 0.000 0.334 485 Y C 1.290 177.201 175.900 0.020 0.000 0.958 485 Y CA -0.641 57.478 58.100 0.032 0.000 1.196 485 Y CB 1.808 40.225 38.460 -0.072 0.000 1.137 485 Y HN 0.002 nan 8.280 nan 0.000 0.485 486 G N 2.251 111.096 108.800 0.074 0.000 2.434 486 G HA2 -0.031 3.929 3.960 0.000 0.000 0.214 486 G HA3 -0.031 3.929 3.960 0.000 0.000 0.214 486 G C -0.098 174.813 174.900 0.019 0.000 1.202 486 G CA 0.554 45.663 45.100 0.014 0.000 0.788 486 G HN 0.375 nan 8.290 nan 0.000 0.539 487 V N 0.427 120.339 119.914 -0.003 0.000 2.409 487 V HA 0.579 4.699 4.120 0.000 0.000 0.290 487 V C -0.642 175.475 176.094 0.037 0.000 1.017 487 V CA -0.700 61.608 62.300 0.013 0.000 0.841 487 V CB 1.540 33.352 31.823 -0.019 0.000 1.003 487 V HN 0.263 nan 8.190 nan 0.000 0.426 488 S N 6.066 121.806 115.700 0.067 0.000 2.478 488 S HA 0.737 5.207 4.470 0.000 0.000 0.312 488 S C -0.783 173.918 174.600 0.168 0.000 1.094 488 S CA -0.616 57.619 58.200 0.058 0.000 1.081 488 S CB 0.714 63.825 63.200 -0.148 0.000 1.007 488 S HN 0.479 nan 8.310 nan 0.000 0.475 489 I N 4.770 125.396 120.570 0.094 0.000 2.339 489 I HA 0.424 4.594 4.170 0.000 0.000 0.290 489 I C 1.121 177.290 176.117 0.086 0.000 0.994 489 I CA -0.399 60.944 61.300 0.071 0.000 1.191 489 I CB 0.587 38.594 38.000 0.011 0.000 1.343 489 I HN 0.765 nan 8.210 nan 0.000 0.458 490 G N 4.624 113.469 108.800 0.075 0.000 2.695 490 G HA2 0.442 4.402 3.960 0.000 0.000 0.213 490 G HA3 0.442 4.402 3.960 0.000 0.000 0.213 490 G C 0.056 174.944 174.900 -0.020 0.000 1.406 490 G CA -0.254 44.883 45.100 0.062 0.000 1.049 490 G HN 0.645 nan 8.290 nan 0.000 0.573 491 S N -2.010 113.667 115.700 -0.038 0.000 2.614 491 S HA 0.457 4.927 4.470 0.000 0.000 0.265 491 S C 1.235 175.801 174.600 -0.056 0.000 1.303 491 S CA 0.684 58.861 58.200 -0.038 0.000 1.000 491 S CB 0.952 64.133 63.200 -0.031 0.000 0.935 491 S HN 2.397 nan 8.310 nan 0.000 0.551 492 G N 0.002 108.779 108.800 -0.038 0.000 2.148 492 G HA2 -0.220 3.740 3.960 0.000 0.000 0.254 492 G HA3 -0.220 3.740 3.960 0.000 0.000 0.254 492 G C -0.192 174.688 174.900 -0.034 0.000 0.981 492 G CA 0.292 45.370 45.100 -0.035 0.000 0.670 492 G HN 0.816 nan 8.290 nan 0.000 0.528 493 I N 0.550 121.100 120.570 -0.033 0.000 2.382 493 I HA 0.349 4.519 4.170 0.000 0.000 0.286 493 I C 1.022 177.128 176.117 -0.018 0.000 1.002 493 I CA -0.622 60.661 61.300 -0.029 0.000 1.135 493 I CB 1.472 39.448 38.000 -0.039 0.000 1.288 493 I HN 0.062 nan 8.210 nan 0.000 0.448 494 E N 3.869 124.063 120.200 -0.011 0.000 2.389 494 E HA 0.167 4.517 4.350 0.000 0.000 0.199 494 E C -0.142 176.455 176.600 -0.005 0.000 0.978 494 E CA 0.337 56.733 56.400 -0.006 0.000 0.912 494 E CB 0.494 30.193 29.700 -0.001 0.000 0.907 494 E HN 0.525 nan 8.360 nan 0.000 0.494 495 N N 1.354 120.051 118.700 -0.006 0.000 2.626 495 N HA 0.175 4.915 4.740 0.000 0.000 0.249 495 N C -0.769 174.733 175.510 -0.012 0.000 1.021 495 N CA -0.011 53.036 53.050 -0.004 0.000 0.886 495 N CB 2.264 40.755 38.487 0.006 0.000 1.149 495 N HN -0.119 nan 8.380 nan 0.000 0.517 496 V N -0.820 119.081 119.914 -0.021 0.000 2.709 496 V HA 0.664 4.784 4.120 0.000 0.000 0.308 496 V C -0.075 175.994 176.094 -0.042 0.000 1.062 496 V CA -0.786 61.495 62.300 -0.031 0.000 0.901 496 V CB 1.923 33.725 31.823 -0.036 0.000 1.003 496 V HN 0.394 nan 8.190 nan 0.000 0.425 497 S N 4.508 120.184 115.700 -0.041 0.000 2.596 497 S HA 0.784 5.254 4.470 0.000 0.000 0.318 497 S C -0.829 173.735 174.600 -0.059 0.000 1.097 497 S CA -0.551 57.616 58.200 -0.054 0.000 1.080 497 S CB 0.469 63.654 63.200 -0.025 0.000 0.991 497 S HN 0.723 nan 8.310 nan 0.000 0.471 498 I N 4.994 125.513 120.570 -0.085 0.000 2.420 498 I HA 0.364 4.534 4.170 0.000 0.000 0.282 498 I C -0.244 175.820 176.117 -0.089 0.000 1.019 498 I CA -0.363 60.891 61.300 -0.076 0.000 1.130 498 I CB 1.977 39.931 38.000 -0.077 0.000 1.262 498 I HN 0.678 nan 8.210 nan 0.000 0.454 499 T N 1.364 115.880 114.554 -0.062 0.000 2.886 499 T HA 0.448 4.798 4.350 0.000 0.000 0.292 499 T C -0.210 174.468 174.700 -0.036 0.000 1.012 499 T CA -0.861 61.206 62.100 -0.056 0.000 0.982 499 T CB 1.549 70.396 68.868 -0.035 0.000 1.018 499 T HN 0.503 nan 8.240 nan 0.000 0.451 500 N N 1.310 119.990 118.700 -0.034 0.000 2.648 500 N HA -0.106 4.634 4.740 0.000 0.000 0.265 500 N C -0.927 174.570 175.510 -0.022 0.000 1.100 500 N CA 0.416 53.453 53.050 -0.021 0.000 0.715 500 N CB -1.104 37.379 38.487 -0.008 0.000 0.881 500 N HN 0.699 nan 8.380 nan 0.000 0.548 501 I N 0.266 120.816 120.570 -0.033 0.000 2.404 501 I HA 0.403 4.573 4.170 0.000 0.000 0.293 501 I C 0.833 176.931 176.117 -0.032 0.000 0.992 501 I CA -0.656 60.623 61.300 -0.036 0.000 1.149 501 I CB 1.631 39.597 38.000 -0.057 0.000 1.315 501 I HN 0.292 nan 8.210 nan 0.000 0.446 502 S N 3.690 119.381 115.700 -0.015 0.000 2.570 502 S HA 0.976 5.446 4.470 0.000 0.000 0.286 502 S C -0.410 174.202 174.600 0.020 0.000 1.099 502 S CA -0.764 57.435 58.200 -0.001 0.000 0.913 502 S CB 2.608 65.817 63.200 0.015 0.000 1.085 502 S HN 0.954 nan 8.310 nan 0.000 0.480 503 G N 0.608 109.439 108.800 0.053 0.000 2.746 503 G HA2 0.631 4.591 3.960 0.000 0.000 0.297 503 G HA3 0.631 4.591 3.960 0.000 0.000 0.297 503 G C -1.553 173.487 174.900 0.234 0.000 1.426 503 G CA -0.809 44.385 45.100 0.156 0.000 0.989 503 G HN 0.782 nan 8.290 nan 0.000 0.520 504 I N 1.658 122.353 120.570 0.208 0.000 2.362 504 I HA 0.469 4.639 4.170 0.000 0.000 0.289 504 I C 1.088 177.218 176.117 0.021 0.000 0.994 504 I CA -0.616 60.752 61.300 0.113 0.000 1.158 504 I CB 2.322 40.354 38.000 0.054 0.000 1.315 504 I HN 0.659 nan 8.210 nan 0.000 0.451 505 G N 3.207 111.903 108.800 -0.173 0.000 3.228 505 G HA2 -0.006 3.954 3.960 0.000 0.000 0.245 505 G HA3 -0.006 3.954 3.960 0.000 0.000 0.245 505 G C 0.773 175.478 174.900 -0.325 0.000 1.051 505 G CA -0.081 44.689 45.100 -0.550 0.000 0.809 505 G HN 0.535 nan 8.290 nan 0.000 0.531 506 D N 1.564 121.860 120.400 -0.173 0.000 2.158 506 D HA -0.104 4.536 4.640 0.000 0.000 0.197 506 D C 2.322 178.559 176.300 -0.105 0.000 0.995 506 D CA 1.490 55.420 54.000 -0.115 0.000 0.846 506 D CB -0.007 40.754 40.800 -0.066 0.000 0.941 506 D HN 0.368 nan 8.370 nan 0.000 0.456 507 G N -0.240 108.499 108.800 -0.102 0.000 3.189 507 G HA2 0.203 4.163 3.960 0.000 0.000 0.225 507 G HA3 0.203 4.163 3.960 0.000 0.000 0.225 507 G C 0.704 175.548 174.900 -0.094 0.000 1.159 507 G CA -0.307 44.743 45.100 -0.083 0.000 0.763 507 G HN 0.142 nan 8.290 nan 0.000 0.549 508 I N 0.945 121.435 120.570 -0.134 0.000 2.474 508 I HA 0.063 4.233 4.170 0.000 0.000 0.287 508 I C 0.351 176.402 176.117 -0.109 0.000 1.048 508 I CA -0.486 60.736 61.300 -0.131 0.000 1.383 508 I CB 1.330 39.206 38.000 -0.207 0.000 1.412 508 I HN 0.046 nan 8.210 nan 0.000 0.531 509 N N 4.783 123.439 118.700 -0.074 0.000 2.400 509 N HA -0.029 4.711 4.740 0.000 0.000 0.267 509 N C -0.412 175.058 175.510 -0.067 0.000 1.208 509 N CA 0.070 53.085 53.050 -0.058 0.000 0.951 509 N CB 0.259 38.726 38.487 -0.033 0.000 1.227 509 N HN 0.719 nan 8.380 nan 0.000 0.488 510 S N 1.648 117.301 115.700 -0.079 0.000 3.667 510 S HA -0.093 4.377 4.470 0.000 0.000 0.405 510 S C -2.425 172.102 174.600 -0.121 0.000 0.913 510 S CA -0.177 57.972 58.200 -0.085 0.000 1.288 510 S CB -1.135 62.032 63.200 -0.056 0.000 0.905 510 S HN 0.689 nan 8.310 nan 0.000 0.550 511 P HA 0.288 nan 4.420 nan 0.000 0.271 511 P C 0.635 177.833 177.300 -0.170 0.000 1.218 511 P CA -0.333 62.632 63.100 -0.226 0.000 0.780 511 P CB 1.022 32.444 31.700 -0.465 0.000 0.901 512 V N 1.233 121.027 119.914 -0.201 0.000 2.870 512 V HA 0.435 4.555 4.120 0.000 0.000 0.232 512 V C 0.837 176.860 176.094 -0.118 0.000 1.161 512 V CA 1.365 63.491 62.300 -0.289 0.000 1.204 512 V CB -0.378 30.991 31.823 -0.756 0.000 1.003 512 V HN 0.794 nan 8.190 nan 0.000 0.499 513 A N -0.762 121.987 122.820 -0.119 0.000 2.547 513 A HA 0.581 4.901 4.320 0.000 0.000 0.297 513 A C 0.145 177.547 177.584 -0.303 0.000 1.056 513 A CA -0.368 51.635 52.037 -0.057 0.000 0.688 513 A CB 1.394 20.378 19.000 -0.026 0.000 1.282 513 A HN 0.151 nan 8.150 nan 0.000 0.400 514 L N 1.178 122.008 121.223 -0.655 0.000 2.017 514 L HA 0.024 4.364 4.340 0.000 0.000 0.208 514 L C -0.047 176.612 176.870 -0.352 0.000 1.073 514 L CA 1.975 56.269 54.840 -0.910 0.000 0.745 514 L CB 0.034 41.710 42.059 -0.638 0.000 0.894 514 L HN 0.540 nan 8.230 nan 0.000 0.432 515 V N -0.802 119.006 119.914 -0.177 0.000 2.709 515 V HA 0.394 4.514 4.120 0.000 0.000 0.308 515 V C -0.511 175.594 176.094 0.017 0.000 1.062 515 V CA -0.502 61.760 62.300 -0.063 0.000 0.901 515 V CB 1.747 33.529 31.823 -0.070 0.000 1.003 515 V HN 0.247 nan 8.190 nan 0.000 0.425 516 S N 2.739 118.474 115.700 0.057 0.000 2.541 516 S HA 0.808 5.278 4.470 0.000 0.000 0.280 516 S C -0.876 173.743 174.600 0.032 0.000 1.112 516 S CA -0.287 57.962 58.200 0.082 0.000 0.925 516 S CB 2.143 65.448 63.200 0.175 0.000 1.067 516 S HN 0.777 nan 8.310 nan 0.000 0.479 517 T N 4.872 119.443 114.554 0.027 0.000 2.971 517 T HA 0.427 4.777 4.350 0.000 0.000 0.304 517 T C 0.755 175.463 174.700 0.013 0.000 1.038 517 T CA -0.600 61.507 62.100 0.012 0.000 1.007 517 T CB 1.119 69.987 68.868 0.001 0.000 1.055 517 T HN 0.550 nan 8.240 nan 0.000 0.451 518 I N 2.106 122.681 120.570 0.007 0.000 2.339 518 I HA 0.022 4.192 4.170 0.000 0.000 0.245 518 I C 1.503 177.623 176.117 0.006 0.000 1.096 518 I CA 0.775 62.079 61.300 0.006 0.000 1.408 518 I CB -0.697 37.305 38.000 0.004 0.000 1.092 518 I HN 0.679 nan 8.210 nan 0.000 0.423 519 N N 1.592 120.293 118.700 0.001 0.000 2.453 519 N HA -0.087 4.653 4.740 0.000 0.000 0.253 519 N C 0.869 176.380 175.510 0.002 0.000 1.252 519 N CA 0.741 53.791 53.050 -0.001 0.000 0.917 519 N CB 0.876 39.359 38.487 -0.007 0.000 1.117 519 N HN 0.145 nan 8.380 nan 0.000 0.442 520 S N -0.275 115.427 115.700 0.004 0.000 2.501 520 S HA -0.092 4.378 4.470 0.000 0.000 0.220 520 S C 0.505 175.102 174.600 -0.006 0.000 0.997 520 S CA -0.120 58.085 58.200 0.009 0.000 0.919 520 S CB -0.509 62.701 63.200 0.017 0.000 0.778 520 S HN 0.794 nan 8.310 nan 0.000 0.523 521 N N 1.901 120.592 118.700 -0.014 0.000 2.761 521 N HA 0.340 5.080 4.740 0.000 0.000 0.317 521 N C -3.113 172.372 175.510 -0.043 0.000 1.546 521 N CA -1.859 51.176 53.050 -0.025 0.000 1.015 521 N CB 0.146 38.627 38.487 -0.009 0.000 1.343 521 N HN 0.261 nan 8.380 nan 0.000 0.504 522 P HA 0.170 nan 4.420 nan 0.000 0.274 522 P C -0.474 176.752 177.300 -0.123 0.000 1.231 522 P CA 0.023 63.077 63.100 -0.077 0.000 0.790 522 P CB 1.379 33.033 31.700 -0.078 0.000 0.951 523 E N 1.866 121.984 120.200 -0.137 0.000 2.167 523 E HA 0.480 4.830 4.350 0.000 0.000 0.284 523 E C -0.281 176.155 176.600 -0.273 0.000 1.016 523 E CA -0.382 55.872 56.400 -0.243 0.000 0.817 523 E CB 0.736 30.315 29.700 -0.202 0.000 1.080 523 E HN 0.405 nan 8.360 nan 0.000 0.397 524 I N 2.139 122.488 120.570 -0.368 0.000 2.619 524 I HA 0.281 4.451 4.170 0.000 0.000 0.292 524 I C -0.513 175.403 176.117 -0.336 0.000 1.100 524 I CA -0.503 60.625 61.300 -0.287 0.000 1.043 524 I CB 2.087 39.949 38.000 -0.230 0.000 1.239 524 I HN 0.540 nan 8.210 nan 0.000 0.420 525 S N 2.666 118.229 115.700 -0.229 0.000 2.588 525 S HA 0.735 5.205 4.470 0.000 0.000 0.269 525 S C 0.016 174.562 174.600 -0.090 0.000 1.157 525 S CA -0.093 58.010 58.200 -0.163 0.000 0.824 525 S CB 1.782 64.895 63.200 -0.145 0.000 1.126 525 S HN 1.492 nan 8.310 nan 0.000 0.464 526 G N 0.686 109.452 108.800 -0.056 0.000 2.272 526 G HA2 -0.168 3.792 3.960 0.000 0.000 0.280 526 G HA3 -0.168 3.792 3.960 0.000 0.000 0.280 526 G C -0.292 174.586 174.900 -0.037 0.000 1.067 526 G CA 0.278 45.359 45.100 -0.032 0.000 0.902 526 G HN 0.961 nan 8.290 nan 0.000 0.500 527 L N 0.205 121.401 121.223 -0.045 0.000 2.326 527 L HA 0.713 5.053 4.340 0.000 0.000 0.278 527 L C 0.623 177.478 176.870 -0.026 0.000 1.092 527 L CA -0.310 54.503 54.840 -0.045 0.000 0.810 527 L CB 1.866 43.891 42.059 -0.058 0.000 1.153 527 L HN 0.267 nan 8.230 nan 0.000 0.439 528 S N 1.736 117.423 115.700 -0.022 0.000 2.619 528 S HA 0.733 5.203 4.470 0.000 0.000 0.280 528 S C -0.799 173.806 174.600 0.008 0.000 1.150 528 S CA -0.477 57.722 58.200 -0.002 0.000 0.978 528 S CB 1.474 64.678 63.200 0.006 0.000 1.041 528 S HN 0.757 nan 8.310 nan 0.000 0.485 529 S N 4.289 120.006 115.700 0.029 0.000 2.607 529 S HA 0.810 5.280 4.470 0.000 0.000 0.273 529 S C -1.250 173.407 174.600 0.095 0.000 1.148 529 S CA -0.818 57.429 58.200 0.079 0.000 0.833 529 S CB 1.462 64.718 63.200 0.092 0.000 1.130 529 S HN 0.912 nan 8.310 nan 0.000 0.470 530 I N 0.207 120.853 120.570 0.128 0.000 2.656 530 I HA 0.596 4.766 4.170 0.000 0.000 0.292 530 I C 0.679 176.843 176.117 0.078 0.000 1.144 530 I CA 0.418 61.769 61.300 0.084 0.000 1.038 530 I CB 1.511 39.539 38.000 0.046 0.000 1.244 530 I HN 1.382 nan 8.210 nan 0.000 0.420 531 G N 4.472 113.289 108.800 0.028 0.000 2.176 531 G HA2 -0.299 3.661 3.960 0.000 0.000 0.253 531 G HA3 -0.299 3.661 3.960 0.000 0.000 0.253 531 G C -0.514 174.295 174.900 -0.152 0.000 0.979 531 G CA 0.028 45.087 45.100 -0.068 0.000 0.641 531 G HN 0.564 nan 8.290 nan 0.000 0.530 532 Y N 0.411 120.692 120.300 -0.032 0.000 2.326 532 Y HA 0.462 5.012 4.550 0.000 0.000 0.337 532 Y C -0.754 175.120 175.900 -0.044 0.000 1.023 532 Y CA -1.676 56.396 58.100 -0.048 0.000 1.143 532 Y CB 1.698 40.131 38.460 -0.045 0.000 1.183 532 Y HN -0.042 nan 8.280 nan 0.000 0.485 533 P HA -0.074 nan 4.420 nan 0.000 0.218 533 P C -0.195 177.129 177.300 0.040 0.000 1.149 533 P CA 1.326 64.444 63.100 0.030 0.000 0.817 533 P CB 0.341 32.038 31.700 -0.005 0.000 0.785 534 T N -1.153 113.436 114.554 0.057 0.000 2.841 534 T HA 0.298 4.648 4.350 0.000 0.000 0.283 534 T C 1.149 175.870 174.700 0.036 0.000 1.000 534 T CA -0.610 61.512 62.100 0.036 0.000 0.977 534 T CB 2.379 71.258 68.868 0.019 0.000 0.979 534 T HN -0.366 nan 8.240 nan 0.000 0.446 535 V N 1.424 121.352 119.914 0.024 0.000 2.278 535 V HA 0.302 4.422 4.120 0.000 0.000 0.238 535 V C 1.170 177.246 176.094 -0.031 0.000 1.039 535 V CA 1.012 63.302 62.300 -0.016 0.000 1.017 535 V CB -0.443 31.384 31.823 0.007 0.000 0.657 535 V HN 0.971 nan 8.190 nan 0.000 0.462 536 A N 0.426 123.267 122.820 0.036 0.000 2.331 536 A HA 0.727 5.047 4.320 0.000 0.000 0.320 536 A C -0.194 177.459 177.584 0.116 0.000 1.138 536 A CA -0.529 51.541 52.037 0.056 0.000 0.790 536 A CB 0.884 19.912 19.000 0.047 0.000 1.206 536 A HN 0.365 nan 8.150 nan 0.000 0.470 537 R N 2.630 123.186 120.500 0.093 0.000 2.275 537 R HA 0.558 4.898 4.340 0.000 0.000 0.326 537 R C -1.770 174.592 176.300 0.104 0.000 0.973 537 R CA -0.209 55.956 56.100 0.107 0.000 0.854 537 R CB 1.013 31.372 30.300 0.100 0.000 1.156 537 R HN 0.455 nan 8.270 nan 0.000 0.487 538 V N 4.219 124.217 119.914 0.141 0.000 2.328 538 V HA 0.361 4.481 4.120 0.000 0.000 0.278 538 V C 0.542 176.689 176.094 0.088 0.000 1.021 538 V CA -0.234 62.126 62.300 0.099 0.000 0.838 538 V CB 1.188 33.069 31.823 0.097 0.000 0.999 538 V HN 1.036 nan 8.190 nan 0.000 0.447 539 A N 4.382 127.233 122.820 0.053 0.000 2.550 539 A HA -0.016 4.304 4.320 0.000 0.000 0.298 539 A C 1.811 179.421 177.584 0.045 0.000 1.485 539 A CA 1.513 53.574 52.037 0.041 0.000 0.780 539 A CB -1.465 17.557 19.000 0.035 0.000 1.045 539 A HN 2.559 nan 8.150 nan 0.000 0.423 540 G N -2.708 106.121 108.800 0.048 0.000 2.199 540 G HA2 -0.088 3.872 3.960 0.000 0.000 0.254 540 G HA3 -0.088 3.872 3.960 0.000 0.000 0.254 540 G C 0.350 175.265 174.900 0.025 0.000 0.982 540 G CA 0.766 45.888 45.100 0.037 0.000 0.632 540 G HN 1.809 nan 8.290 nan 0.000 0.529 541 T N 2.167 116.745 114.554 0.040 0.000 2.771 541 T HA 0.534 4.884 4.350 0.000 0.000 0.281 541 T C -0.709 173.961 174.700 -0.049 0.000 0.982 541 T CA -0.427 61.661 62.100 -0.020 0.000 0.978 541 T CB 1.629 70.495 68.868 -0.003 0.000 0.930 541 T HN 0.184 nan 8.240 nan 0.000 0.447 542 D N 2.075 122.376 120.400 -0.166 0.000 2.255 542 D HA 0.298 4.938 4.640 0.000 0.000 0.249 542 D C -0.768 175.302 176.300 -0.383 0.000 1.078 542 D CA 0.125 54.041 54.000 -0.139 0.000 0.896 542 D CB 0.692 41.437 40.800 -0.092 0.000 1.194 542 D HN 0.479 nan 8.370 nan 0.000 0.429 543 Y N 1.439 121.731 120.300 -0.014 0.000 2.349 543 Y HA 0.255 4.805 4.550 0.000 0.000 0.324 543 Y C 0.685 176.574 175.900 -0.018 0.000 1.005 543 Y CA -0.655 57.434 58.100 -0.018 0.000 1.240 543 Y CB 1.150 39.594 38.460 -0.027 0.000 1.117 543 Y HN 0.202 nan 8.280 nan 0.000 0.463 544 N N 1.147 119.894 118.700 0.078 0.000 2.184 544 N HA 0.038 4.778 4.740 0.000 0.000 0.206 544 N C -0.366 175.174 175.510 0.050 0.000 1.151 544 N CA 0.355 53.436 53.050 0.051 0.000 0.878 544 N CB 0.732 39.230 38.487 0.019 0.000 1.014 544 N HN 0.656 nan 8.380 nan 0.000 0.512 545 D N 0.325 120.766 120.400 0.068 0.000 2.623 545 D HA 0.278 4.918 4.640 0.000 0.000 0.252 545 D C 0.462 176.792 176.300 0.050 0.000 1.294 545 D CA 0.042 54.072 54.000 0.050 0.000 0.824 545 D CB 1.258 42.083 40.800 0.043 0.000 1.070 545 D HN 0.165 nan 8.370 nan 0.000 0.487 546 G N 1.067 109.897 108.800 0.049 0.000 2.697 546 G HA2 -0.078 3.882 3.960 0.000 0.000 0.686 546 G HA3 -0.078 3.882 3.960 0.000 0.000 0.686 546 G C -1.279 173.621 174.900 0.000 0.000 1.179 546 G CA -0.907 44.204 45.100 0.017 0.000 0.765 546 G HN 0.167 nan 8.290 nan 0.000 0.649 547 L N 1.052 122.236 121.223 -0.066 0.000 2.526 547 L HA 0.728 5.068 4.340 0.000 0.000 0.263 547 L C -0.436 176.334 176.870 -0.166 0.000 0.943 547 L CA -0.768 53.970 54.840 -0.169 0.000 0.859 547 L CB 2.645 44.543 42.059 -0.268 0.000 1.313 547 L HN 0.793 nan 8.230 nan 0.000 0.406 548 T N 5.080 119.528 114.554 -0.176 0.000 2.847 548 T HA 0.582 4.932 4.350 0.000 0.000 0.291 548 T C -0.664 173.892 174.700 -0.241 0.000 0.998 548 T CA -0.324 61.666 62.100 -0.184 0.000 0.967 548 T CB 1.096 69.940 68.868 -0.039 0.000 0.954 548 T HN 0.279 nan 8.240 nan 0.000 0.441 549 L N 3.872 124.862 121.223 -0.388 0.000 2.356 549 L HA 0.689 5.029 4.340 0.000 0.000 0.277 549 L C -1.075 175.502 176.870 -0.490 0.000 0.996 549 L CA -0.842 53.797 54.840 -0.334 0.000 0.822 549 L CB 1.427 43.313 42.059 -0.289 0.000 1.256 549 L HN 0.532 nan 8.230 nan 0.000 0.413 550 F N 0.969 120.847 119.950 -0.120 0.000 2.561 550 F HA 0.516 5.043 4.527 0.000 0.000 0.321 550 F C 0.266 176.040 175.800 -0.044 0.000 1.065 550 F CA -0.724 57.238 58.000 -0.063 0.000 0.934 550 F CB 2.065 41.045 39.000 -0.033 0.000 1.215 550 F HN 0.421 nan 8.300 nan 0.000 0.471 551 N N 0.270 119.098 118.700 0.214 0.000 2.432 551 N HA 0.703 5.443 4.740 0.000 0.000 0.292 551 N C -0.003 175.596 175.510 0.148 0.000 1.193 551 N CA 0.084 53.211 53.050 0.127 0.000 0.878 551 N CB 1.599 40.129 38.487 0.073 0.000 1.252 551 N HN 0.906 nan 8.380 nan 0.000 0.520 552 G N -0.394 108.469 108.800 0.105 0.000 2.828 552 G HA2 0.114 4.074 3.960 0.000 0.000 0.463 552 G HA3 0.114 4.074 3.960 0.000 0.000 0.463 552 G C -0.297 174.682 174.900 0.132 0.000 1.394 552 G CA -0.399 44.755 45.100 0.090 0.000 0.862 552 G HN 0.849 nan 8.290 nan 0.000 0.540 553 A N -0.401 122.475 122.820 0.093 0.000 2.584 553 A HA 0.443 4.763 4.320 0.000 0.000 0.239 553 A C -0.075 177.627 177.584 0.197 0.000 1.043 553 A CA 1.345 53.455 52.037 0.122 0.000 0.756 553 A CB 0.001 19.030 19.000 0.049 0.000 0.963 553 A HN 2.029 nan 8.150 nan 0.000 0.511 554 F N 2.696 122.694 119.950 0.079 0.000 2.495 554 F HA 0.694 5.221 4.527 0.000 0.000 0.327 554 F C 0.137 175.979 175.800 0.071 0.000 1.103 554 F CA -0.795 57.241 58.000 0.060 0.000 0.949 554 F CB 1.541 40.591 39.000 0.083 0.000 1.142 554 F HN 0.672 nan 8.300 nan 0.000 0.457 555 R N 4.273 124.280 120.500 -0.821 0.000 2.564 555 R HA 0.832 5.172 4.340 0.000 0.000 0.284 555 R C -2.002 173.782 176.300 -0.859 0.000 1.031 555 R CA -0.711 55.001 56.100 -0.646 0.000 0.904 555 R CB 1.742 31.871 30.300 -0.285 0.000 1.199 555 R HN 0.856 nan 8.270 nan 0.000 0.443 556 A N 1.429 123.893 122.820 -0.594 0.000 2.498 556 A HA 0.479 4.799 4.320 0.000 0.000 0.298 556 A C -0.131 177.355 177.584 -0.163 0.000 1.075 556 A CA -0.075 51.743 52.037 -0.365 0.000 0.714 556 A CB 1.560 20.402 19.000 -0.263 0.000 1.299 556 A HN 1.340 nan 8.150 nan 0.000 0.407 557 S N -0.700 114.934 115.700 -0.109 0.000 3.486 557 S HA -0.156 4.314 4.470 0.000 0.000 0.371 557 S C 0.085 174.653 174.600 -0.053 0.000 1.001 557 S CA 1.352 59.516 58.200 -0.060 0.000 1.164 557 S CB -2.408 60.774 63.200 -0.030 0.000 0.911 557 S HN 1.747 nan 8.310 nan 0.000 0.472 558 T N 0.893 115.404 114.554 -0.073 0.000 3.031 558 T HA 0.542 4.892 4.350 0.000 0.000 0.305 558 T C 1.255 175.918 174.700 -0.062 0.000 0.985 558 T CA -0.285 61.780 62.100 -0.057 0.000 1.008 558 T CB 1.772 70.605 68.868 -0.060 0.000 1.005 558 T HN 0.557 nan 8.240 nan 0.000 0.444 559 T N -0.353 114.174 114.554 -0.045 0.000 2.985 559 T HA 0.143 4.493 4.350 0.000 0.000 0.266 559 T C 0.963 175.638 174.700 -0.042 0.000 1.076 559 T CA 0.676 62.750 62.100 -0.043 0.000 1.135 559 T CB -0.006 68.843 68.868 -0.032 0.000 0.890 559 T HN 0.703 nan 8.240 nan 0.000 0.480 560 S N 0.069 115.746 115.700 -0.038 0.000 2.570 560 S HA 0.697 5.167 4.470 0.000 0.000 0.270 560 S C -0.923 173.656 174.600 -0.034 0.000 1.149 560 S CA -0.294 57.885 58.200 -0.036 0.000 0.837 560 S CB 2.074 65.257 63.200 -0.028 0.000 1.124 560 S HN 1.049 nan 8.310 nan 0.000 0.465 561 S N 0.301 115.981 115.700 -0.033 0.000 2.587 561 S HA 0.836 5.306 4.470 0.000 0.000 0.269 561 S C 0.288 174.872 174.600 -0.027 0.000 1.154 561 S CA -0.494 57.688 58.200 -0.030 0.000 0.824 561 S CB 0.661 63.840 63.200 -0.035 0.000 1.118 561 S HN 1.651 nan 8.310 nan 0.000 0.462 562 G N 0.570 109.355 108.800 -0.025 0.000 2.504 562 G HA2 0.476 4.436 3.960 0.000 0.000 0.257 562 G HA3 0.476 4.436 3.960 0.000 0.000 0.257 562 G C -0.285 174.602 174.900 -0.022 0.000 1.451 562 G CA -0.627 44.460 45.100 -0.022 0.000 1.059 562 G HN 0.859 nan 8.290 nan 0.000 0.550 563 K N -0.411 119.978 120.400 -0.018 0.000 2.448 563 K HA 0.203 4.523 4.320 0.000 0.000 0.278 563 K C -0.408 176.187 176.600 -0.008 0.000 1.009 563 K CA 0.417 56.697 56.287 -0.012 0.000 0.995 563 K CB -0.088 32.409 32.500 -0.005 0.000 0.917 563 K HN 0.226 nan 8.250 nan 0.000 0.481 564 I N 4.606 125.176 120.570 -0.001 0.000 2.418 564 I HA 0.159 4.329 4.170 0.000 0.000 0.287 564 I C 0.242 176.386 176.117 0.045 0.000 1.008 564 I CA -1.029 60.281 61.300 0.016 0.000 1.104 564 I CB 1.372 39.381 38.000 0.015 0.000 1.264 564 I HN 0.644 nan 8.210 nan 0.000 0.438 565 H N 4.603 123.655 119.070 -0.030 0.000 2.852 565 H HA -0.001 4.555 4.556 0.000 0.000 0.362 565 H C 1.194 176.528 175.328 0.010 0.000 1.122 565 H CA 0.902 56.939 56.048 -0.019 0.000 1.419 565 H CB 1.427 31.166 29.762 -0.039 0.000 1.401 565 H HN 0.792 nan 8.280 nan 0.000 0.609 566 S N 2.281 117.795 115.700 -0.310 0.000 2.469 566 S HA -0.121 4.349 4.470 0.000 0.000 0.238 566 S C 0.696 175.360 174.600 0.107 0.000 0.998 566 S CA 1.142 59.286 58.200 -0.093 0.000 0.957 566 S CB -0.008 63.087 63.200 -0.177 0.000 0.764 566 S HN 0.714 nan 8.310 nan 0.000 0.514 567 E N 1.025 121.430 120.200 0.342 0.000 2.723 567 E HA 0.475 4.825 4.350 0.000 0.000 0.219 567 E C 0.349 177.064 176.600 0.191 0.000 1.060 567 E CA -0.377 56.181 56.400 0.264 0.000 1.291 567 E CB 0.688 30.521 29.700 0.222 0.000 1.265 567 E HN 0.589 nan 8.360 nan 0.000 0.438 568 G N 0.842 109.752 108.800 0.184 0.000 2.766 568 G HA2 0.705 4.665 3.960 0.000 0.000 0.288 568 G HA3 0.705 4.665 3.960 0.000 0.000 0.288 568 G C -1.277 173.722 174.900 0.164 0.000 1.408 568 G CA -0.773 44.349 45.100 0.037 0.000 0.852 568 G HN 0.170 nan 8.290 nan 0.000 0.487 569 F N -2.050 117.961 119.950 0.102 0.000 2.719 569 F HA 0.790 5.317 4.527 0.000 0.000 0.309 569 F C -1.629 174.206 175.800 0.058 0.000 1.138 569 F CA -1.484 56.592 58.000 0.127 0.000 0.943 569 F CB 1.394 40.537 39.000 0.239 0.000 1.304 569 F HN 0.443 nan 8.300 nan 0.000 0.445 570 I N 3.155 123.890 120.570 0.275 0.000 2.499 570 I HA 0.552 4.722 4.170 0.000 0.000 0.288 570 I C -1.002 175.213 176.117 0.164 0.000 1.048 570 I CA -0.691 60.719 61.300 0.183 0.000 1.062 570 I CB 2.155 40.175 38.000 0.033 0.000 1.238 570 I HN 0.631 nan 8.210 nan 0.000 0.426 571 M N 3.266 122.980 119.600 0.190 0.000 2.550 571 M HA 0.471 4.951 4.480 0.000 0.000 0.292 571 M C 0.626 176.960 176.300 0.056 0.000 1.221 571 M CA -0.656 54.693 55.300 0.081 0.000 0.873 571 M CB 2.173 34.831 32.600 0.096 0.000 1.727 571 M HN 0.782 nan 8.290 nan 0.000 0.459 572 G N 1.782 110.593 108.800 0.018 0.000 2.356 572 G HA2 -0.193 3.767 3.960 0.000 0.000 0.296 572 G HA3 -0.193 3.767 3.960 0.000 0.000 0.296 572 G C -0.387 174.523 174.900 0.017 0.000 1.022 572 G CA 0.568 45.677 45.100 0.015 0.000 0.961 572 G HN 0.630 nan 8.290 nan 0.000 0.510 573 S N -1.365 114.339 115.700 0.008 0.000 2.634 573 S HA 0.881 5.351 4.470 0.000 0.000 0.296 573 S C 0.496 175.093 174.600 -0.004 0.000 1.104 573 S CA -0.059 58.146 58.200 0.008 0.000 0.920 573 S CB 2.131 65.339 63.200 0.013 0.000 1.111 573 S HN 1.047 nan 8.310 nan 0.000 0.493 574 T N -0.977 113.575 114.554 -0.003 0.000 2.876 574 T HA 0.646 4.996 4.350 0.000 0.000 0.277 574 T C 0.476 175.169 174.700 -0.011 0.000 0.997 574 T CA -0.659 61.436 62.100 -0.008 0.000 0.966 574 T CB 0.470 69.335 68.868 -0.005 0.000 1.312 574 T HN 0.679 nan 8.240 nan 0.000 0.598 575 S N -0.981 114.712 115.700 -0.012 0.000 2.576 575 S HA 0.456 4.926 4.470 0.000 0.000 0.272 575 S C 1.466 176.058 174.600 -0.013 0.000 1.352 575 S CA 0.017 58.208 58.200 -0.015 0.000 1.021 575 S CB -0.273 62.918 63.200 -0.014 0.000 0.887 575 S HN 2.391 nan 8.310 nan 0.000 0.542 576 G N -0.288 108.502 108.800 -0.016 0.000 2.175 576 G HA2 -0.224 3.736 3.960 0.000 0.000 0.244 576 G HA3 -0.224 3.736 3.960 0.000 0.000 0.244 576 G C 0.222 175.112 174.900 -0.018 0.000 0.982 576 G CA -0.097 44.994 45.100 -0.016 0.000 0.641 576 G HN 1.006 nan 8.290 nan 0.000 0.527 577 C N 1.382 120.670 119.300 -0.019 0.000 2.459 577 C HA 0.745 5.205 4.460 0.000 0.000 0.374 577 C C 0.390 175.363 174.990 -0.029 0.000 1.241 577 C CA -0.273 58.732 59.018 -0.023 0.000 2.352 577 C CB 0.795 28.524 27.740 -0.018 0.000 2.490 577 C HN 0.640 nan 8.230 nan 0.000 0.583 578 E N 0.508 120.685 120.200 -0.037 0.000 2.390 578 E HA 0.667 5.017 4.350 0.000 0.000 0.277 578 E C -1.432 175.129 176.600 -0.065 0.000 0.939 578 E CA -0.820 55.554 56.400 -0.043 0.000 0.769 578 E CB 1.773 31.453 29.700 -0.034 0.000 1.251 578 E HN 0.624 nan 8.360 nan 0.000 0.450 579 A N 1.104 123.882 122.820 -0.071 0.000 2.984 579 A HA 0.344 4.664 4.320 0.000 0.000 0.320 579 A C 0.225 177.772 177.584 -0.062 0.000 1.142 579 A CA -0.541 51.428 52.037 -0.112 0.000 0.772 579 A CB 0.144 19.031 19.000 -0.189 0.000 1.195 579 A HN 0.589 nan 8.150 nan 0.000 0.459 580 S N 0.051 115.719 115.700 -0.052 0.000 2.575 580 S HA 0.313 4.783 4.470 0.000 0.000 0.215 580 S C 0.670 175.272 174.600 0.003 0.000 0.966 580 S CA 0.579 58.780 58.200 0.001 0.000 0.911 580 S CB -0.791 62.403 63.200 -0.011 0.000 0.780 580 S HN 1.621 nan 8.310 nan 0.000 0.514 581 V N -2.128 117.701 119.914 -0.142 0.000 3.126 581 V HA 0.732 4.852 4.120 0.000 0.000 0.314 581 V C 0.130 175.793 176.094 -0.718 0.000 1.138 581 V CA -1.063 61.000 62.300 -0.395 0.000 1.034 581 V CB 1.084 32.746 31.823 -0.267 0.000 1.075 581 V HN 0.124 nan 8.190 nan 0.000 0.442 582 S N 1.235 116.321 115.700 -1.023 0.000 2.552 582 S HA 0.187 4.657 4.470 0.000 0.000 0.289 582 S C 0.508 174.919 174.600 -0.316 0.000 1.304 582 S CA 0.746 58.558 58.200 -0.647 0.000 1.063 582 S CB -0.768 62.214 63.200 -0.364 0.000 0.848 582 S HN 1.033 nan 8.310 nan 0.000 0.499 583 K N 1.225 121.519 120.400 -0.176 0.000 3.244 583 K HA -0.147 4.173 4.320 0.000 0.000 0.270 583 K C -0.451 176.027 176.600 -0.203 0.000 1.016 583 K CA 0.861 57.064 56.287 -0.141 0.000 0.754 583 K CB -2.498 29.917 32.500 -0.141 0.000 1.326 583 K HN 0.741 nan 8.250 nan 0.000 0.465 584 S N -0.838 114.714 115.700 -0.246 0.000 2.548 584 S HA 0.872 5.342 4.470 0.000 0.000 0.286 584 S C -0.020 174.278 174.600 -0.503 0.000 1.098 584 S CA -0.212 57.811 58.200 -0.294 0.000 0.930 584 S CB 2.831 65.887 63.200 -0.240 0.000 1.070 584 S HN 0.516 nan 8.310 nan 0.000 0.480 585 G N 0.311 108.768 108.800 -0.570 0.000 2.742 585 G HA2 0.586 4.546 3.960 0.000 0.000 0.296 585 G HA3 0.586 4.546 3.960 0.000 0.000 0.296 585 G C -1.926 172.720 174.900 -0.424 0.000 1.436 585 G CA -0.650 43.819 45.100 -1.051 0.000 0.928 585 G HN 0.987 nan 8.290 nan 0.000 0.520 586 V N 1.700 121.470 119.914 -0.240 0.000 2.588 586 V HA 0.632 4.752 4.120 0.000 0.000 0.304 586 V C -0.244 175.943 176.094 0.154 0.000 1.042 586 V CA -0.592 61.701 62.300 -0.012 0.000 0.877 586 V CB 1.454 33.259 31.823 -0.030 0.000 0.996 586 V HN 0.655 nan 8.190 nan 0.000 0.425 587 L N 3.284 124.600 121.223 0.154 0.000 2.354 587 L HA 0.585 4.925 4.340 0.000 0.000 0.269 587 L C 0.685 177.604 176.870 0.081 0.000 1.005 587 L CA -0.648 54.282 54.840 0.150 0.000 0.819 587 L CB 2.177 44.333 42.059 0.161 0.000 1.311 587 L HN 0.924 nan 8.230 nan 0.000 0.423 588 T N -1.590 113.002 114.554 0.063 0.000 3.795 588 T HA -0.184 4.166 4.350 0.000 0.000 0.370 588 T C 0.052 174.772 174.700 0.033 0.000 0.761 588 T CA 0.792 62.917 62.100 0.041 0.000 1.923 588 T CB -1.858 67.034 68.868 0.040 0.000 1.795 588 T HN 0.612 nan 8.240 nan 0.000 0.762 589 S N 0.157 115.874 115.700 0.028 0.000 2.667 589 S HA 0.887 5.357 4.470 0.000 0.000 0.292 589 S C -0.221 174.386 174.600 0.011 0.000 1.126 589 S CA -0.381 57.831 58.200 0.019 0.000 0.881 589 S CB 2.301 65.512 63.200 0.018 0.000 1.132 589 S HN 1.208 nan 8.310 nan 0.000 0.492 590 S N -0.111 115.593 115.700 0.007 0.000 2.526 590 S HA 0.668 5.138 4.470 0.000 0.000 0.293 590 S C -0.258 174.341 174.600 -0.001 0.000 1.092 590 S CA -0.639 57.562 58.200 0.002 0.000 0.980 590 S CB 1.287 64.489 63.200 0.003 0.000 1.048 590 S HN 0.876 nan 8.310 nan 0.000 0.483 591 S N 1.026 116.723 115.700 -0.006 0.000 3.427 591 S HA -0.128 4.342 4.470 0.000 0.000 0.373 591 S C 0.038 174.632 174.600 -0.011 0.000 0.973 591 S CA 0.908 59.102 58.200 -0.009 0.000 1.218 591 S CB -1.897 61.299 63.200 -0.007 0.000 0.912 591 S HN 0.864 nan 8.310 nan 0.000 0.483 592 S N 0.848 116.540 115.700 -0.013 0.000 2.521 592 S HA 0.625 5.095 4.470 0.000 0.000 0.295 592 S C -0.200 174.383 174.600 -0.028 0.000 1.098 592 S CA -1.022 57.167 58.200 -0.018 0.000 0.999 592 S CB 1.859 65.052 63.200 -0.012 0.000 1.034 592 S HN 0.389 nan 8.310 nan 0.000 0.483 593 K N 1.205 121.584 120.400 -0.034 0.000 2.427 593 K HA 0.629 4.949 4.320 0.000 0.000 0.252 593 K C -0.969 175.597 176.600 -0.057 0.000 0.931 593 K CA -0.686 55.575 56.287 -0.045 0.000 0.793 593 K CB 2.159 34.636 32.500 -0.038 0.000 1.211 593 K HN 0.501 nan 8.250 nan 0.000 0.426 594 T N 0.005 114.514 114.554 -0.075 0.000 2.841 594 T HA 0.271 4.621 4.350 0.000 0.000 0.285 594 T C -0.173 174.468 174.700 -0.098 0.000 0.991 594 T CA -0.573 61.473 62.100 -0.091 0.000 0.966 594 T CB 0.767 69.566 68.868 -0.115 0.000 0.962 594 T HN 0.549 nan 8.240 nan 0.000 0.438 595 S N 2.657 118.301 115.700 -0.093 0.000 2.711 595 S HA 0.332 4.802 4.470 0.000 0.000 0.247 595 S C 0.321 174.850 174.600 -0.118 0.000 1.079 595 S CA -0.638 57.504 58.200 -0.097 0.000 1.050 595 S CB 0.180 63.337 63.200 -0.071 0.000 0.885 595 S HN 0.578 nan 8.310 nan 0.000 0.498 596 S N 1.813 117.431 115.700 -0.138 0.000 2.422 596 S HA 0.315 4.785 4.470 0.000 0.000 0.308 596 S C -0.359 174.113 174.600 -0.212 0.000 1.097 596 S CA -0.446 57.658 58.200 -0.159 0.000 1.099 596 S CB 0.866 63.979 63.200 -0.144 0.000 0.976 596 S HN 0.571 nan 8.310 nan 0.000 0.471 597 E N 3.667 123.725 120.200 -0.238 0.000 2.299 597 E HA 0.156 4.506 4.350 0.000 0.000 0.272 597 E C -0.507 175.852 176.600 -0.401 0.000 1.043 597 E CA -0.018 56.208 56.400 -0.290 0.000 0.895 597 E CB 0.153 29.695 29.700 -0.263 0.000 1.011 597 E HN 0.714 nan 8.360 nan 0.000 0.432 598 R N 2.010 122.293 120.500 -0.362 0.000 2.598 598 R HA -0.127 4.213 4.340 0.000 0.000 0.323 598 R C -1.203 174.919 176.300 -0.297 0.000 0.993 598 R CA 0.694 56.563 56.100 -0.385 0.000 0.724 598 R CB -2.262 27.624 30.300 -0.690 0.000 2.060 598 R HN 0.650 nan 8.270 nan 0.000 0.470 599 S N 0.399 115.980 115.700 -0.197 0.000 2.570 599 S HA 0.855 5.325 4.470 0.000 0.000 0.270 599 S C -1.177 173.361 174.600 -0.103 0.000 1.149 599 S CA -1.187 56.927 58.200 -0.144 0.000 0.837 599 S CB 2.863 65.970 63.200 -0.156 0.000 1.124 599 S HN 0.355 nan 8.310 nan 0.000 0.465 600 L N 1.070 122.258 121.223 -0.057 0.000 2.493 600 L HA 0.701 5.041 4.340 0.000 0.000 0.265 600 L C -1.927 174.937 176.870 -0.011 0.000 0.954 600 L CA -0.549 54.279 54.840 -0.021 0.000 0.844 600 L CB 1.649 43.737 42.059 0.050 0.000 1.302 600 L HN 0.910 nan 8.230 nan 0.000 0.405 601 I N 4.508 125.071 120.570 -0.012 0.000 2.378 601 I HA 0.820 4.990 4.170 0.000 0.000 0.291 601 I C -0.217 175.922 176.117 0.036 0.000 0.992 601 I CA -0.558 60.744 61.300 0.004 0.000 1.154 601 I CB 1.774 39.764 38.000 -0.016 0.000 1.315 601 I HN 0.798 nan 8.210 nan 0.000 0.448 602 A N 3.692 126.537 122.820 0.042 0.000 2.498 602 A HA 0.732 5.052 4.320 0.000 0.000 0.298 602 A C 0.436 178.045 177.584 0.042 0.000 1.075 602 A CA -0.150 51.919 52.037 0.053 0.000 0.714 602 A CB 1.508 20.548 19.000 0.066 0.000 1.299 602 A HN 1.083 nan 8.150 nan 0.000 0.407 603 G N 0.550 109.374 108.800 0.041 0.000 2.341 603 G HA2 -0.054 3.906 3.960 0.000 0.000 0.292 603 G HA3 -0.054 3.906 3.960 0.000 0.000 0.292 603 G C 0.258 175.176 174.900 0.031 0.000 1.021 603 G CA 0.899 46.019 45.100 0.034 0.000 0.905 603 G HN 1.226 nan 8.290 nan 0.000 0.508 604 S N -1.257 114.459 115.700 0.027 0.000 2.667 604 S HA 0.910 5.380 4.470 0.000 0.000 0.292 604 S C 0.015 174.626 174.600 0.017 0.000 1.126 604 S CA 0.023 58.237 58.200 0.023 0.000 0.881 604 S CB 2.239 65.450 63.200 0.019 0.000 1.132 604 S HN 1.416 nan 8.310 nan 0.000 0.492 605 S N -0.479 115.231 115.700 0.016 0.000 2.570 605 S HA 0.635 5.105 4.470 0.000 0.000 0.286 605 S C -0.177 174.428 174.600 0.008 0.000 1.099 605 S CA -0.145 58.062 58.200 0.011 0.000 0.913 605 S CB 0.959 64.167 63.200 0.014 0.000 1.085 605 S HN 1.572 nan 8.310 nan 0.000 0.480 606 T N -0.758 113.798 114.554 0.002 0.000 3.708 606 T HA -0.156 4.194 4.350 0.000 0.000 0.375 606 T C 0.103 174.800 174.700 -0.006 0.000 0.763 606 T CA 0.989 63.088 62.100 -0.003 0.000 1.915 606 T CB -2.665 66.203 68.868 0.000 0.000 1.783 606 T HN 0.824 nan 8.240 nan 0.000 0.734 607 S N 0.408 116.103 115.700 -0.008 0.000 2.607 607 S HA 0.743 5.213 4.470 0.000 0.000 0.303 607 S C -0.356 174.231 174.600 -0.021 0.000 1.086 607 S CA -0.955 57.237 58.200 -0.013 0.000 0.995 607 S CB 2.308 65.504 63.200 -0.007 0.000 1.084 607 S HN 0.699 nan 8.310 nan 0.000 0.507 608 E N 0.356 120.540 120.200 -0.026 0.000 2.291 608 E HA 0.613 4.963 4.350 0.000 0.000 0.276 608 E C -1.630 174.946 176.600 -0.040 0.000 0.896 608 E CA -0.665 55.715 56.400 -0.034 0.000 0.774 608 E CB 1.434 31.114 29.700 -0.033 0.000 1.227 608 E HN 0.689 nan 8.360 nan 0.000 0.413 609 A N 4.107 126.897 122.820 -0.050 0.000 2.303 609 A HA 0.499 4.819 4.320 0.000 0.000 0.320 609 A C -0.229 177.315 177.584 -0.067 0.000 1.192 609 A CA -0.571 51.430 52.037 -0.058 0.000 0.821 609 A CB 0.701 19.660 19.000 -0.069 0.000 1.188 609 A HN 0.712 nan 8.150 nan 0.000 0.492 610 K N 2.383 122.746 120.400 -0.062 0.000 2.517 610 K HA 0.215 4.535 4.320 0.000 0.000 0.210 610 K C 1.022 177.584 176.600 -0.065 0.000 1.166 610 K CA 0.378 56.628 56.287 -0.062 0.000 1.030 610 K CB 1.323 33.794 32.500 -0.047 0.000 0.974 610 K HN 0.665 nan 8.250 nan 0.000 0.585 611 G N 1.498 110.256 108.800 -0.070 0.000 3.329 611 G HA2 0.275 4.235 3.960 0.000 0.000 0.180 611 G HA3 0.275 4.235 3.960 0.000 0.000 0.180 611 G C -0.109 174.728 174.900 -0.105 0.000 1.640 611 G CA 0.173 45.232 45.100 -0.068 0.000 1.018 611 G HN 0.172 nan 8.290 nan 0.000 0.581 612 T N -4.942 109.536 114.554 -0.125 0.000 2.883 612 T HA 0.429 4.779 4.350 0.000 0.000 0.301 612 T C -0.538 174.011 174.700 -0.251 0.000 1.158 612 T CA -0.626 61.343 62.100 -0.218 0.000 1.007 612 T CB 1.420 70.181 68.868 -0.177 0.000 1.186 612 T HN 0.843 nan 8.240 nan 0.000 0.499 613 Y N -0.486 119.561 120.300 -0.422 0.000 3.305 613 Y HA -0.200 4.350 4.550 0.000 0.000 0.212 613 Y C 0.266 175.972 175.900 -0.323 0.000 1.248 613 Y CA 0.068 57.864 58.100 -0.507 0.000 1.359 613 Y CB -2.010 35.742 38.460 -1.180 0.000 1.407 613 Y HN 0.652 nan 8.280 nan 0.000 0.572 614 N N 0.692 119.321 118.700 -0.119 0.000 2.456 614 N HA 0.452 5.192 4.740 0.000 0.000 0.288 614 N C -0.125 175.362 175.510 -0.038 0.000 1.059 614 N CA -0.269 52.740 53.050 -0.068 0.000 0.946 614 N CB 1.680 40.121 38.487 -0.077 0.000 1.150 614 N HN 0.064 nan 8.380 nan 0.000 0.479 615 T N 2.133 116.683 114.554 -0.006 0.000 2.841 615 T HA 0.558 4.908 4.350 0.000 0.000 0.285 615 T C 0.140 174.847 174.700 0.012 0.000 0.991 615 T CA -0.421 61.686 62.100 0.012 0.000 0.966 615 T CB 0.786 69.677 68.868 0.038 0.000 0.962 615 T HN 0.258 nan 8.240 nan 0.000 0.438 616 I N 4.311 124.887 120.570 0.010 0.000 2.439 616 I HA 0.471 4.641 4.170 0.000 0.000 0.285 616 I C -0.968 175.164 176.117 0.025 0.000 1.021 616 I CA -0.775 60.534 61.300 0.014 0.000 1.091 616 I CB 1.586 39.587 38.000 0.001 0.000 1.242 616 I HN 0.340 nan 8.210 nan 0.000 0.439 617 L N 4.859 126.102 121.223 0.034 0.000 2.386 617 L HA 0.588 4.928 4.340 0.000 0.000 0.271 617 L C 0.832 177.726 176.870 0.041 0.000 0.993 617 L CA -0.810 54.054 54.840 0.040 0.000 0.819 617 L CB 2.003 44.089 42.059 0.046 0.000 1.294 617 L HN 0.844 nan 8.230 nan 0.000 0.414 618 G N 1.937 110.761 108.800 0.040 0.000 2.395 618 G HA2 -0.229 3.731 3.960 0.000 0.000 0.300 618 G HA3 -0.229 3.731 3.960 0.000 0.000 0.300 618 G C -0.028 174.898 174.900 0.044 0.000 0.998 618 G CA 0.610 45.735 45.100 0.041 0.000 1.046 618 G HN 0.501 nan 8.290 nan 0.000 0.513 619 S N -1.246 114.477 115.700 0.038 0.000 2.632 619 S HA 0.811 5.281 4.470 0.000 0.000 0.289 619 S C -0.410 174.211 174.600 0.035 0.000 1.115 619 S CA -0.752 57.472 58.200 0.040 0.000 0.889 619 S CB 2.464 65.683 63.200 0.032 0.000 1.116 619 S HN 0.882 nan 8.310 nan 0.000 0.486 620 L N 1.244 122.491 121.223 0.041 0.000 2.406 620 L HA 0.649 4.989 4.340 0.000 0.000 0.272 620 L C 0.448 177.337 176.870 0.031 0.000 0.980 620 L CA -0.001 54.862 54.840 0.038 0.000 0.831 620 L CB 1.025 43.115 42.059 0.051 0.000 1.253 620 L HN 0.942 nan 8.230 nan 0.000 0.406 621 G N 3.567 112.377 108.800 0.015 0.000 2.323 621 G HA2 -0.176 3.784 3.960 0.000 0.000 0.292 621 G HA3 -0.176 3.784 3.960 0.000 0.000 0.292 621 G C 0.091 174.982 174.900 -0.014 0.000 1.040 621 G CA 0.383 45.483 45.100 0.001 0.000 0.942 621 G HN 1.084 nan 8.290 nan 0.000 0.506 622 A N -0.760 122.053 122.820 -0.011 0.000 2.305 622 A HA 0.862 5.182 4.320 0.000 0.000 0.322 622 A C -0.029 177.540 177.584 -0.025 0.000 1.187 622 A CA -0.375 51.651 52.037 -0.019 0.000 0.825 622 A CB 2.026 21.023 19.000 -0.006 0.000 1.164 622 A HN 1.207 nan 8.150 nan 0.000 0.498 623 V N 1.246 121.140 119.914 -0.033 0.000 2.531 623 V HA 0.688 4.808 4.120 0.000 0.000 0.301 623 V C 0.116 176.190 176.094 -0.034 0.000 1.034 623 V CA -0.299 61.981 62.300 -0.034 0.000 0.865 623 V CB 1.633 33.433 31.823 -0.038 0.000 0.995 623 V HN 1.237 nan 8.190 nan 0.000 0.424 624 A N 3.056 125.856 122.820 -0.033 0.000 2.285 624 A HA 0.764 5.084 4.320 0.000 0.000 0.310 624 A C -0.148 177.414 177.584 -0.037 0.000 1.266 624 A CA -0.446 51.572 52.037 -0.032 0.000 0.832 624 A CB 0.587 19.569 19.000 -0.029 0.000 1.163 624 A HN 0.912 nan 8.150 nan 0.000 0.499 625 D N 1.126 121.506 120.400 -0.032 0.000 2.620 625 D HA 0.297 4.937 4.640 0.000 0.000 0.260 625 D C -0.119 176.166 176.300 -0.025 0.000 1.367 625 D CA -0.038 53.942 54.000 -0.033 0.000 0.805 625 D CB 0.400 41.181 40.800 -0.031 0.000 1.096 625 D HN 0.383 nan 8.370 nan 0.000 0.488 626 E N 0.807 120.995 120.200 -0.020 0.000 2.416 626 E HA 0.256 4.606 4.350 0.000 0.000 0.273 626 E C -0.897 175.703 176.600 -0.001 0.000 0.935 626 E CA -0.782 55.615 56.400 -0.004 0.000 0.784 626 E CB 1.345 31.048 29.700 0.004 0.000 1.301 626 E HN 0.129 nan 8.360 nan 0.000 0.454 627 Q N 2.071 121.891 119.800 0.033 0.000 2.286 627 Q HA 0.131 4.471 4.340 0.000 0.000 0.290 627 Q C -0.593 175.469 176.000 0.103 0.000 1.049 627 Q CA 0.337 56.168 55.803 0.048 0.000 0.923 627 Q CB -0.110 28.737 28.738 0.182 0.000 1.183 627 Q HN 0.658 nan 8.270 nan 0.000 0.383 628 F N -1.111 118.753 119.950 -0.144 0.000 2.914 628 F HA -0.311 4.216 4.527 0.000 0.000 0.304 628 F C 0.671 176.360 175.800 -0.185 0.000 0.712 628 F CA 0.722 58.548 58.000 -0.291 0.000 1.211 628 F CB -1.872 36.574 39.000 -0.923 0.000 1.515 628 F HN 0.791 nan 8.300 nan 0.000 0.350 629 A N 0.359 123.190 122.820 0.017 0.000 2.407 629 A HA 0.788 5.108 4.320 0.000 0.000 0.248 629 A C 0.425 178.015 177.584 0.010 0.000 1.082 629 A CA 0.525 52.568 52.037 0.010 0.000 0.785 629 A CB 0.651 19.647 19.000 -0.006 0.000 1.020 629 A HN 1.283 nan 8.150 nan 0.000 0.489 630 A N 1.010 123.840 122.820 0.018 0.000 2.606 630 A HA 0.734 5.054 4.320 0.000 0.000 0.293 630 A C -1.587 176.010 177.584 0.022 0.000 1.082 630 A CA -0.488 51.564 52.037 0.024 0.000 0.685 630 A CB 1.026 20.054 19.000 0.047 0.000 1.284 630 A HN 0.978 nan 8.150 nan 0.000 0.408 631 L N 0.723 121.960 121.223 0.024 0.000 2.455 631 L HA 0.679 5.019 4.340 0.000 0.000 0.264 631 L C -0.918 175.977 176.870 0.041 0.000 0.968 631 L CA 0.090 54.946 54.840 0.027 0.000 0.827 631 L CB 1.985 44.050 42.059 0.010 0.000 1.317 631 L HN 0.623 nan 8.230 nan 0.000 0.407 632 I N 1.472 122.076 120.570 0.057 0.000 2.499 632 I HA 0.384 4.554 4.170 0.000 0.000 0.288 632 I C -0.065 176.097 176.117 0.075 0.000 1.048 632 I CA -0.676 60.663 61.300 0.065 0.000 1.062 632 I CB 1.997 40.041 38.000 0.074 0.000 1.238 632 I HN 0.653 nan 8.210 nan 0.000 0.426 633 S N 3.463 119.205 115.700 0.069 0.000 3.628 633 S HA -0.146 4.324 4.470 0.000 0.000 0.373 633 S C -0.156 174.499 174.600 0.090 0.000 0.968 633 S CA 0.726 58.973 58.200 0.080 0.000 1.215 633 S CB -0.888 62.365 63.200 0.088 0.000 0.912 633 S HN 0.871 nan 8.310 nan 0.000 0.495 634 A N 0.679 123.544 122.820 0.074 0.000 2.401 634 A HA 0.868 5.188 4.320 0.000 0.000 0.310 634 A C -0.017 177.611 177.584 0.074 0.000 1.075 634 A CA -0.488 51.592 52.037 0.071 0.000 0.746 634 A CB 1.878 20.899 19.000 0.035 0.000 1.277 634 A HN 0.402 nan 8.150 nan 0.000 0.425 635 S N 1.215 116.975 115.700 0.100 0.000 2.521 635 S HA 0.501 4.971 4.470 0.000 0.000 0.295 635 S C -0.755 173.865 174.600 0.034 0.000 1.098 635 S CA -0.376 57.901 58.200 0.128 0.000 0.999 635 S CB 1.377 64.738 63.200 0.268 0.000 1.034 635 S HN 0.700 nan 8.310 nan 0.000 0.483 636 Q N 0.652 120.448 119.800 -0.007 0.000 2.439 636 Q HA -0.155 4.185 4.340 0.000 0.000 0.325 636 Q C -0.698 175.179 176.000 -0.206 0.000 1.372 636 Q CA 0.682 56.413 55.803 -0.120 0.000 0.909 636 Q CB -1.868 26.747 28.738 -0.205 0.000 1.167 636 Q HN 0.623 nan 8.270 nan 0.000 0.418 637 S N -0.145 115.480 115.700 -0.126 0.000 2.569 637 S HA 0.768 5.238 4.470 0.000 0.000 0.280 637 S C -0.397 174.151 174.600 -0.088 0.000 1.111 637 S CA -0.930 57.192 58.200 -0.129 0.000 0.887 637 S CB 2.905 66.039 63.200 -0.110 0.000 1.095 637 S HN 0.375 nan 8.310 nan 0.000 0.476 638 R N 1.093 121.541 120.500 -0.088 0.000 2.502 638 R HA 0.676 5.016 4.340 0.000 0.000 0.300 638 R C -1.453 174.811 176.300 -0.060 0.000 0.984 638 R CA -0.546 55.514 56.100 -0.066 0.000 0.882 638 R CB 1.170 31.431 30.300 -0.064 0.000 1.180 638 R HN 0.734 nan 8.270 nan 0.000 0.444 639 A N 2.891 125.684 122.820 -0.046 0.000 2.253 639 A HA 0.385 4.705 4.320 0.000 0.000 0.316 639 A C -0.135 177.430 177.584 -0.031 0.000 1.327 639 A CA -0.465 51.549 52.037 -0.038 0.000 0.917 639 A CB 1.177 20.161 19.000 -0.026 0.000 1.162 639 A HN 0.765 nan 8.150 nan 0.000 0.535 640 S N 1.647 117.330 115.700 -0.030 0.000 2.650 640 S HA 0.285 4.755 4.470 0.000 0.000 0.240 640 S C 0.882 175.473 174.600 -0.014 0.000 1.007 640 S CA 0.261 58.448 58.200 -0.022 0.000 0.984 640 S CB 0.463 63.648 63.200 -0.025 0.000 0.910 640 S HN 1.002 nan 8.310 nan 0.000 0.509 641 G N 1.728 110.519 108.800 -0.015 0.000 2.477 641 G HA2 0.396 4.356 3.960 0.000 0.000 0.304 641 G HA3 0.396 4.356 3.960 0.000 0.000 0.304 641 G C -0.427 174.464 174.900 -0.015 0.000 1.175 641 G CA -0.601 44.491 45.100 -0.013 0.000 0.907 641 G HN 0.228 nan 8.290 nan 0.000 0.509 642 N N -0.073 118.609 118.700 -0.029 0.000 2.431 642 N HA 0.048 4.788 4.740 0.000 0.000 0.265 642 N C 0.142 175.567 175.510 -0.143 0.000 1.184 642 N CA 0.047 53.073 53.050 -0.040 0.000 0.943 642 N CB -0.308 38.153 38.487 -0.043 0.000 1.080 642 N HN 0.618 nan 8.380 nan 0.000 0.477 643 H N -0.235 118.691 119.070 -0.240 0.000 2.791 643 H HA -0.223 4.333 4.556 0.000 0.000 0.302 643 H C -0.721 174.523 175.328 -0.140 0.000 1.198 643 H CA 0.887 56.779 56.048 -0.261 0.000 1.145 643 H CB -1.762 27.576 29.762 -0.706 0.000 1.385 643 H HN 0.572 nan 8.280 nan 0.000 0.409 644 N N 0.926 119.631 118.700 0.009 0.000 2.426 644 N HA 0.375 5.115 4.740 0.000 0.000 0.257 644 N C -0.906 174.620 175.510 0.027 0.000 1.002 644 N CA -0.815 52.243 53.050 0.014 0.000 0.942 644 N CB 0.728 39.210 38.487 -0.008 0.000 1.112 644 N HN 0.308 nan 8.380 nan 0.000 0.499 645 L N 4.887 126.137 121.223 0.046 0.000 2.322 645 L HA 0.647 4.987 4.340 0.000 0.000 0.281 645 L C -1.045 175.842 176.870 0.029 0.000 1.014 645 L CA -0.488 54.385 54.840 0.054 0.000 0.815 645 L CB 0.971 43.087 42.059 0.095 0.000 1.247 645 L HN 0.520 nan 8.230 nan 0.000 0.421 646 I N 5.835 126.411 120.570 0.010 0.000 2.377 646 I HA 0.428 4.598 4.170 0.000 0.000 0.293 646 I C -0.769 175.370 176.117 0.037 0.000 0.987 646 I CA -0.516 60.765 61.300 -0.032 0.000 1.185 646 I CB 1.526 39.490 38.000 -0.060 0.000 1.341 646 I HN 0.497 nan 8.210 nan 0.000 0.455 647 L N 4.628 125.893 121.223 0.071 0.000 2.381 647 L HA 0.411 4.751 4.340 0.000 0.000 0.268 647 L C 0.366 177.356 176.870 0.200 0.000 0.997 647 L CA -0.780 54.169 54.840 0.183 0.000 0.818 647 L CB 1.883 44.144 42.059 0.337 0.000 1.310 647 L HN 0.612 nan 8.230 nan 0.000 0.416 648 S N 1.079 116.887 115.700 0.178 0.000 3.524 648 S HA -0.152 4.318 4.470 0.000 0.000 0.377 648 S C -0.123 174.601 174.600 0.207 0.000 0.949 648 S CA 0.614 58.932 58.200 0.197 0.000 1.264 648 S CB -0.899 62.445 63.200 0.241 0.000 0.918 648 S HN 0.702 nan 8.310 nan 0.000 0.517 649 S N 0.059 115.857 115.700 0.162 0.000 2.627 649 S HA 0.791 5.261 4.470 0.000 0.000 0.283 649 S C -1.098 173.625 174.600 0.205 0.000 1.127 649 S CA -0.737 57.557 58.200 0.157 0.000 0.863 649 S CB 1.837 65.050 63.200 0.021 0.000 1.121 649 S HN 0.463 nan 8.310 nan 0.000 0.479 650 Y N 0.235 120.565 120.300 0.052 0.000 2.406 650 Y HA 0.523 5.073 4.550 0.000 0.000 0.340 650 Y C 0.408 176.184 175.900 -0.206 0.000 0.975 650 Y CA 0.089 58.131 58.100 -0.097 0.000 1.056 650 Y CB 1.307 39.649 38.460 -0.197 0.000 1.210 650 Y HN 0.969 nan 8.280 nan 0.000 0.448 651 G N 5.746 113.942 108.800 -1.006 0.000 2.295 651 G HA2 -0.248 3.712 3.960 0.000 0.000 0.287 651 G HA3 -0.248 3.712 3.960 0.000 0.000 0.287 651 G C -0.421 174.210 174.900 -0.449 0.000 1.055 651 G CA 0.588 45.125 45.100 -0.938 0.000 0.922 651 G HN 1.190 nan 8.290 nan 0.000 0.503 652 I N -3.395 116.995 120.570 -0.299 0.000 2.785 652 I HA 0.783 4.953 4.170 0.000 0.000 0.302 652 I C -0.861 175.161 176.117 -0.157 0.000 1.069 652 I CA -1.558 59.624 61.300 -0.197 0.000 1.045 652 I CB 2.302 40.201 38.000 -0.167 0.000 1.236 652 I HN -0.093 nan 8.210 nan 0.000 0.429 653 N N 3.412 122.037 118.700 -0.125 0.000 2.399 653 N HA 0.489 5.229 4.740 0.000 0.000 0.280 653 N C -0.945 174.515 175.510 -0.084 0.000 1.008 653 N CA -0.373 52.618 53.050 -0.098 0.000 0.894 653 N CB 2.282 40.718 38.487 -0.085 0.000 1.273 653 N HN 0.878 nan 8.380 nan 0.000 0.486 654 T N -2.245 112.264 114.554 -0.075 0.000 2.908 654 T HA 0.549 4.899 4.350 0.000 0.000 0.290 654 T C 0.377 175.051 174.700 -0.044 0.000 1.034 654 T CA -0.475 61.586 62.100 -0.065 0.000 1.010 654 T CB 2.217 71.038 68.868 -0.079 0.000 1.068 654 T HN 0.231 nan 8.240 nan 0.000 0.481 655 T N 0.542 115.077 114.554 -0.032 0.000 3.130 655 T HA 0.399 4.749 4.350 0.000 0.000 0.288 655 T C 0.825 175.521 174.700 -0.007 0.000 0.936 655 T CA 0.159 62.247 62.100 -0.019 0.000 0.897 655 T CB -0.244 68.613 68.868 -0.018 0.000 1.178 655 T HN 1.024 nan 8.240 nan 0.000 0.543 656 G N 0.946 109.743 108.800 -0.004 0.000 2.503 656 G HA2 0.471 4.431 3.960 0.000 0.000 0.257 656 G HA3 0.471 4.431 3.960 0.000 0.000 0.257 656 G C -0.394 174.517 174.900 0.019 0.000 1.214 656 G CA -0.169 44.939 45.100 0.014 0.000 0.839 656 G HN 0.295 nan 8.290 nan 0.000 0.559 657 S N 0.076 115.803 115.700 0.044 0.000 2.513 657 S HA 0.314 4.784 4.470 0.000 0.000 0.276 657 S C -0.586 174.096 174.600 0.136 0.000 1.254 657 S CA -0.191 58.033 58.200 0.041 0.000 1.053 657 S CB 0.263 63.536 63.200 0.122 0.000 0.958 657 S HN 0.540 nan 8.310 nan 0.000 0.491 658 Y N 0.382 120.696 120.300 0.022 0.000 3.168 658 Y HA -0.227 4.323 4.550 0.000 0.000 0.207 658 Y C 0.304 176.219 175.900 0.025 0.000 1.280 658 Y CA 0.411 58.509 58.100 -0.003 0.000 1.235 658 Y CB -1.414 36.992 38.460 -0.090 0.000 1.370 658 Y HN 0.427 nan 8.280 nan 0.000 0.537 659 K N 0.094 120.567 120.400 0.121 0.000 2.316 659 K HA 0.764 5.084 4.320 0.000 0.000 0.251 659 K C -0.441 176.222 176.600 0.106 0.000 0.934 659 K CA -1.079 55.274 56.287 0.110 0.000 0.802 659 K CB 2.746 35.289 32.500 0.071 0.000 1.171 659 K HN -0.071 nan 8.250 nan 0.000 0.426 660 V N 2.826 122.833 119.914 0.155 0.000 2.427 660 V HA 0.341 4.461 4.120 0.000 0.000 0.286 660 V C -0.022 176.153 176.094 0.134 0.000 1.034 660 V CA -0.800 61.616 62.300 0.194 0.000 0.893 660 V CB 1.165 33.179 31.823 0.319 0.000 0.982 660 V HN 0.670 nan 8.190 nan 0.000 0.452 661 N N 2.275 120.879 118.700 -0.159 0.000 2.265 661 N HA 0.764 5.504 4.740 0.000 0.000 0.300 661 N C -0.286 174.461 175.510 -1.270 0.000 1.148 661 N CA -0.276 52.391 53.050 -0.638 0.000 0.772 661 N CB 2.789 41.065 38.487 -0.353 0.000 1.434 661 N HN 0.861 nan 8.380 nan 0.000 0.481 662 G N -1.335 106.234 108.800 -2.051 0.000 2.660 662 G HA2 0.775 4.735 3.960 0.000 0.000 0.294 662 G HA3 0.775 4.735 3.960 0.000 0.000 0.294 662 G C -0.900 173.516 174.900 -0.806 0.000 1.369 662 G CA -0.608 43.659 45.100 -1.388 0.000 0.912 662 G HN 0.691 nan 8.290 nan 0.000 0.479 663 G N -1.502 107.134 108.800 -0.272 0.000 2.441 663 G HA2 0.574 4.534 3.960 0.000 0.000 0.294 663 G HA3 0.574 4.534 3.960 0.000 0.000 0.294 663 G C -2.259 172.735 174.900 0.157 0.000 1.393 663 G CA -0.607 44.456 45.100 -0.062 0.000 0.796 663 G HN 1.135 nan 8.290 nan 0.000 0.494 664 F N 1.043 121.003 119.950 0.017 0.000 3.034 664 F HA 0.442 4.969 4.527 0.000 0.000 0.371 664 F C 0.940 176.788 175.800 0.081 0.000 1.233 664 F CA -0.234 57.830 58.000 0.107 0.000 1.134 664 F CB 0.823 39.902 39.000 0.131 0.000 1.495 664 F HN 0.842 nan 8.300 nan 0.000 0.563 665 E N 1.584 121.652 120.200 -0.220 0.000 4.205 665 E HA -0.291 4.059 4.350 0.000 0.000 0.310 665 E C -0.568 175.980 176.600 -0.087 0.000 0.654 665 E CA 1.561 57.848 56.400 -0.189 0.000 1.279 665 E CB -0.704 28.933 29.700 -0.106 0.000 1.720 665 E HN 0.610 nan 8.360 nan 0.000 0.403 666 K N 0.190 120.577 120.400 -0.022 0.000 2.512 666 K HA 0.591 4.911 4.320 0.000 0.000 0.263 666 K C -0.440 176.140 176.600 -0.032 0.000 0.966 666 K CA -0.904 55.368 56.287 -0.025 0.000 0.851 666 K CB 1.850 34.356 32.500 0.011 0.000 1.395 666 K HN -0.106 nan 8.250 nan 0.000 0.440 667 I N 1.858 122.391 120.570 -0.062 0.000 2.668 667 I HA -0.086 4.084 4.170 0.000 0.000 0.285 667 I C 0.541 176.626 176.117 -0.053 0.000 1.168 667 I CA 0.567 61.805 61.300 -0.102 0.000 1.424 667 I CB 0.044 37.981 38.000 -0.104 0.000 1.377 667 I HN 0.678 nan 8.210 nan 0.000 0.560 668 N N 5.800 124.452 118.700 -0.079 0.000 2.210 668 N HA 0.166 4.906 4.740 0.000 0.000 0.203 668 N C -0.895 174.714 175.510 0.167 0.000 1.175 668 N CA -0.292 52.788 53.050 0.050 0.000 0.894 668 N CB 0.647 39.207 38.487 0.121 0.000 1.041 668 N HN 0.641 nan 8.380 nan 0.000 0.506 669 W N 0.470 121.802 121.300 0.053 0.000 3.146 669 W HA 0.574 5.234 4.660 0.000 0.000 0.319 669 W C -1.922 174.623 176.519 0.044 0.000 1.258 669 W CA -0.579 56.794 57.345 0.047 0.000 1.189 669 W CB 0.894 30.385 29.460 0.051 0.000 1.412 669 W HN -0.289 nan 8.180 nan 0.000 0.567 670 E N 1.900 122.385 120.200 0.475 0.000 2.304 670 E HA 0.500 4.850 4.350 0.000 0.000 0.277 670 E C -1.950 174.865 176.600 0.357 0.000 0.898 670 E CA -0.699 55.905 56.400 0.340 0.000 0.764 670 E CB 2.441 32.226 29.700 0.142 0.000 1.216 670 E HN 0.545 nan 8.360 nan 0.000 0.419 671 L N 3.738 125.174 121.223 0.355 0.000 2.276 671 L HA 0.397 4.737 4.340 0.000 0.000 0.286 671 L C -0.545 176.422 176.870 0.160 0.000 1.024 671 L CA -0.865 54.105 54.840 0.216 0.000 0.826 671 L CB 1.207 43.385 42.059 0.198 0.000 1.211 671 L HN 0.485 nan 8.230 nan 0.000 0.422 672 D N 1.505 121.973 120.400 0.114 0.000 2.467 672 D HA 0.167 4.807 4.640 0.000 0.000 0.220 672 D C 0.797 177.139 176.300 0.071 0.000 1.103 672 D CA -0.230 53.827 54.000 0.094 0.000 0.886 672 D CB 1.393 42.238 40.800 0.074 0.000 1.025 672 D HN 0.361 nan 8.370 nan 0.000 0.514 673 S N 3.234 118.985 115.700 0.086 0.000 2.423 673 S HA -0.087 4.383 4.470 0.000 0.000 0.231 673 S C 1.817 176.402 174.600 -0.025 0.000 1.014 673 S CA 0.089 58.315 58.200 0.044 0.000 0.965 673 S CB 0.024 63.271 63.200 0.078 0.000 0.785 673 S HN 0.595 nan 8.310 nan 0.000 0.495 674 L N 1.621 122.843 121.223 -0.002 0.000 2.005 674 L HA -0.052 4.289 4.340 0.000 0.000 0.207 674 L C 1.298 178.129 176.870 -0.064 0.000 1.072 674 L CA 1.392 56.184 54.840 -0.081 0.000 0.744 674 L CB -0.211 41.848 42.059 0.001 0.000 0.895 674 L HN 0.327 nan 8.230 nan 0.000 0.433 675 N N -0.734 117.955 118.700 -0.018 0.000 2.220 675 N HA 0.075 4.815 4.740 0.000 0.000 0.195 675 N C 0.903 176.409 175.510 -0.007 0.000 1.123 675 N CA 0.898 53.940 53.050 -0.014 0.000 0.874 675 N CB 0.978 39.466 38.487 0.002 0.000 0.995 675 N HN 0.384 nan 8.380 nan 0.000 0.498 676 G N 1.867 110.667 108.800 -0.000 0.000 2.256 676 G HA2 -0.296 3.664 3.960 0.000 0.000 0.272 676 G HA3 -0.296 3.664 3.960 0.000 0.000 0.272 676 G C -0.166 174.744 174.900 0.017 0.000 1.076 676 G CA -0.046 45.057 45.100 0.006 0.000 0.882 676 G HN 0.277 nan 8.290 nan 0.000 0.497 677 R N -1.041 119.477 120.500 0.030 0.000 2.664 677 R HA 0.772 5.112 4.340 0.000 0.000 0.286 677 R C 0.119 176.453 176.300 0.057 0.000 0.967 677 R CA -0.804 55.319 56.100 0.038 0.000 0.933 677 R CB 1.488 31.811 30.300 0.038 0.000 1.146 677 R HN 0.253 nan 8.270 nan 0.000 0.468 678 I N 2.288 122.891 120.570 0.056 0.000 2.436 678 I HA 0.364 4.534 4.170 0.000 0.000 0.289 678 I C -0.584 175.583 176.117 0.082 0.000 1.010 678 I CA -0.665 60.681 61.300 0.075 0.000 1.098 678 I CB 1.885 39.916 38.000 0.052 0.000 1.266 678 I HN 0.344 nan 8.210 nan 0.000 0.434 679 K N 5.093 125.565 120.400 0.119 0.000 2.443 679 K HA 0.819 5.139 4.320 0.000 0.000 0.252 679 K C -1.123 175.573 176.600 0.159 0.000 0.933 679 K CA -0.651 55.705 56.287 0.114 0.000 0.792 679 K CB 2.758 35.319 32.500 0.101 0.000 1.185 679 K HN 0.642 nan 8.250 nan 0.000 0.425 680 A N 1.845 124.742 122.820 0.128 0.000 2.355 680 A HA 0.395 4.715 4.320 0.000 0.000 0.324 680 A C 0.748 178.399 177.584 0.111 0.000 1.117 680 A CA -0.681 51.446 52.037 0.150 0.000 0.785 680 A CB 1.403 20.474 19.000 0.117 0.000 1.254 680 A HN 0.951 nan 8.150 nan 0.000 0.453 681 R N 0.218 120.788 120.500 0.116 0.000 2.075 681 R HA -0.127 4.213 4.340 0.000 0.000 0.232 681 R C 0.871 177.211 176.300 0.067 0.000 1.126 681 R CA 2.308 58.456 56.100 0.081 0.000 0.963 681 R CB -0.069 30.279 30.300 0.081 0.000 0.858 681 R HN 0.911 nan 8.270 nan 0.000 0.435 682 D N -0.785 119.659 120.400 0.073 0.000 2.626 682 D HA 0.017 4.658 4.640 0.000 0.000 0.260 682 D C -0.253 176.074 176.300 0.044 0.000 1.281 682 D CA 1.028 55.059 54.000 0.052 0.000 1.098 682 D CB 0.234 41.063 40.800 0.048 0.000 0.923 682 D HN 0.193 nan 8.370 nan 0.000 0.233 683 T N -1.322 113.254 114.554 0.037 0.000 2.918 683 T HA 0.667 5.017 4.350 0.000 0.000 0.286 683 T C -0.472 174.244 174.700 0.027 0.000 1.026 683 T CA -0.861 61.254 62.100 0.024 0.000 1.031 683 T CB 1.618 70.490 68.868 0.007 0.000 1.046 683 T HN -0.000 nan 8.240 nan 0.000 0.479 684 V N 2.754 122.681 119.914 0.021 0.000 2.444 684 V HA 0.734 4.854 4.120 0.000 0.000 0.294 684 V C 0.204 176.301 176.094 0.006 0.000 1.022 684 V CA -0.658 61.652 62.300 0.018 0.000 0.850 684 V CB 1.145 32.982 31.823 0.024 0.000 0.992 684 V HN 1.323 nan 8.190 nan 0.000 0.426 685 T N 1.309 115.862 114.554 -0.001 0.000 2.900 685 T HA 0.834 5.184 4.350 0.000 0.000 0.303 685 T C -0.006 174.690 174.700 -0.006 0.000 1.142 685 T CA -0.286 61.807 62.100 -0.012 0.000 1.007 685 T CB 2.036 70.883 68.868 -0.035 0.000 1.156 685 T HN 0.864 nan 8.240 nan 0.000 0.490 686 G N -0.991 107.807 108.800 -0.005 0.000 2.705 686 G HA2 0.599 4.559 3.960 0.000 0.000 0.299 686 G HA3 0.599 4.559 3.960 0.000 0.000 0.299 686 G C 0.885 175.778 174.900 -0.013 0.000 1.315 686 G CA -0.538 44.566 45.100 0.007 0.000 1.045 686 G HN 2.048 nan 8.290 nan 0.000 0.517 687 G N -0.829 107.972 108.800 0.002 0.000 2.198 687 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 687 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 687 G C 0.236 175.104 174.900 -0.054 0.000 1.025 687 G CA 0.241 45.333 45.100 -0.013 0.000 0.769 687 G HN 0.625 nan 8.290 nan 0.000 0.507 688 N N -0.291 118.362 118.700 -0.079 0.000 2.495 688 N HA 0.622 5.362 4.740 0.000 0.000 0.280 688 N C -0.143 175.238 175.510 -0.215 0.000 1.168 688 N CA 0.337 53.228 53.050 -0.265 0.000 0.978 688 N CB 1.660 39.837 38.487 -0.518 0.000 1.191 688 N HN 0.219 nan 8.380 nan 0.000 0.497 689 T N -0.200 114.145 114.554 -0.348 0.000 2.901 689 T HA 0.402 4.752 4.350 0.000 0.000 0.293 689 T C -1.031 173.488 174.700 -0.302 0.000 1.084 689 T CA -0.534 61.504 62.100 -0.104 0.000 1.008 689 T CB 0.748 69.616 68.868 -0.000 0.000 1.170 689 T HN 0.377 nan 8.240 nan 0.000 0.509 690 W N 3.856 125.149 121.300 -0.012 0.000 1.843 690 W HA 0.457 5.117 4.660 0.000 0.000 0.309 690 W C 0.340 176.853 176.519 -0.009 0.000 0.773 690 W CA -0.623 56.715 57.345 -0.012 0.000 2.405 690 W CB -0.219 29.233 29.460 -0.013 0.000 2.324 690 W HN 0.793 nan 8.180 nan 0.000 0.517 691 S N 0.000 115.734 115.700 0.056 0.000 2.498 691 S HA 0.000 4.470 4.470 0.000 0.000 0.327 691 S CA 0.000 58.222 58.200 0.036 0.000 1.107 691 S CB 0.000 63.228 63.200 0.046 0.000 0.593 691 S HN 0.000 nan 8.310 nan 0.000 0.517