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 2vse_1_A DATA FIRST_RESID 31 DATA SEQUENCE SPNSPKDNTW IQAASLTWLM DMSSLLYQLI STRIPSFASP NGLHMREQTI DATA SEQUENCE DSNTGQIQID NEHRLLRWDR RPPNDIFLNG FIPRVTNQNL SPVEDTHLLN DATA SEQUENCE YLRTNSPSIF VSTTRARYNN LGLEITPWTP HSANNNIIYR YEIFAPGGID DATA SEQUENCE INASFSRNXX XXPNEDEITF PGGIRPEFIR STYEYHNGEI VRIWINPNFI DATA SEQUENCE NPSTLNDVSG PSNISKVFWH ENHSEGNNMD SXXXXXXXXX NQDFDMFAPN DATA SEQUENCE GEIPNNNLLN NNSLNVIQNS EYQIKNKKDR NIVVTLDSDY GGSPVESYKN DATA SEQUENCE FGFENQKWNI KYDSKKNAYK IYNRETPTLL LSWNSNSSNG EQVIRGYTES DATA SEQUENCE GSNNQYWTIE KNVNGFYKFR NLSDPSKILD LKDGNTLNKT PLVVSSENSS DATA SEQUENCE SSQEWLIEKT NYQTVKDGTY QVSSKLNENK VIEQISTNKV HIFSNSDKEN DATA SEQUENCE QVWNLIYNPI LKAYKIKSLK YPNYSLAWDS NNTRTIVAAT GDYNDQYWLI DATA SEQUENCE ERNEDNTYII RNYENRKIVL DLSNGSTTDG NGLLGFEFHG GINQRWIIKP DATA SEQUENCE FSFNSIQDGI YQFMTVINQD LIADLTTNNY TIATKTNNYS SNQKWTVTYN DATA SEQUENCE DKKRAYKIRN LQHAHLSLAW DSNHSDKIFG ATGDYDDQYW IPILQTDGSF DATA SEQUENCE IFRNYKNPNK IFGTNGQPIN DIPLKAQDVT GQNNQKWYLR HLNSSNNFTG DATA SEQUENCE YFNISSKKNF NKIITMNSNK TQAVIFDNIG INNQSWKLKY NDNKNAYQIH DATA SEQUENCE ILDNFLYFQG GHNIVATMRN VTNDDLRSYW YVEYNFNKDG FIIRNAFDTS DATA SEQUENCE YVLDVFQGNF ANNTPIITYQ NYLNDNQLWN FIPSLG 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 31 S HA 0.000 nan 4.470 nan 0.000 0.327 31 S C 0.000 174.603 174.600 0.005 0.000 1.055 31 S CA 0.000 58.228 58.200 0.048 0.000 1.107 31 S CB 0.000 63.257 63.200 0.095 0.000 0.593 32 P HA 0.552 nan 4.420 nan 0.000 0.277 32 P C -0.064 177.206 177.300 -0.050 0.000 1.240 32 P CA -0.268 62.819 63.100 -0.022 0.000 0.798 32 P CB -0.070 31.625 31.700 -0.007 0.000 0.979 33 N N -2.151 116.494 118.700 -0.091 0.000 2.857 33 N HA -0.226 4.514 4.740 -0.000 0.000 0.242 33 N C 0.157 175.479 175.510 -0.314 0.000 0.983 33 N CA 1.326 54.292 53.050 -0.141 0.000 0.934 33 N CB -2.080 36.364 38.487 -0.071 0.000 1.115 33 N HN 0.605 nan 8.380 nan 0.000 0.593 34 S N -0.063 115.391 115.700 -0.410 0.000 2.617 34 S HA 0.444 4.914 4.470 -0.000 0.000 0.255 34 S C -2.085 172.083 174.600 -0.720 0.000 1.318 34 S CA -1.040 56.621 58.200 -0.898 0.000 0.978 34 S CB 0.257 63.125 63.200 -0.552 0.000 0.961 34 S HN -0.024 nan 8.310 nan 0.000 0.582 35 P HA 0.252 nan 4.420 nan 0.000 0.269 35 P C 0.041 177.168 177.300 -0.289 0.000 1.209 35 P CA -0.384 62.379 63.100 -0.561 0.000 0.776 35 P CB 0.350 31.600 31.700 -0.749 0.000 0.876 36 K N 0.629 120.906 120.400 -0.205 0.000 2.211 36 K HA -0.069 4.251 4.320 -0.000 0.000 0.203 36 K C 0.402 176.970 176.600 -0.053 0.000 1.050 36 K CA 1.364 57.581 56.287 -0.117 0.000 0.945 36 K CB -0.164 32.275 32.500 -0.101 0.000 0.732 36 K HN 0.702 nan 8.250 nan 0.000 0.451 37 D N -3.266 117.124 120.400 -0.017 0.000 2.664 37 D HA 0.104 4.743 4.640 -0.000 0.000 0.292 37 D C -0.115 176.287 176.300 0.170 0.000 1.214 37 D CA -0.814 53.218 54.000 0.053 0.000 0.932 37 D CB 0.101 40.920 40.800 0.032 0.000 1.420 37 D HN -0.336 nan 8.370 nan 0.000 0.471 38 N N -1.062 117.726 118.700 0.146 0.000 2.192 38 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 38 N C 1.267 176.879 175.510 0.170 0.000 1.013 38 N CA 1.942 55.079 53.050 0.145 0.000 0.863 38 N CB -0.402 38.116 38.487 0.052 0.000 0.990 38 N HN 0.505 nan 8.380 nan 0.000 0.430 39 T N 0.484 115.143 114.554 0.175 0.000 2.685 39 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 39 T C 1.486 176.268 174.700 0.136 0.000 1.034 39 T CA 1.538 63.706 62.100 0.113 0.000 1.149 39 T CB -0.470 68.445 68.868 0.078 0.000 0.860 39 T HN 0.578 nan 8.240 nan 0.000 0.449 40 W N 2.968 124.242 121.300 -0.044 0.000 2.387 40 W HA 0.013 4.673 4.660 -0.000 0.000 0.272 40 W C 1.178 177.676 176.519 -0.035 0.000 1.224 40 W CA 0.675 57.985 57.345 -0.057 0.000 1.210 40 W CB -1.061 28.369 29.460 -0.050 0.000 1.125 40 W HN 0.464 nan 8.180 nan 0.000 0.572 41 I N -1.995 118.295 120.570 -0.467 0.000 3.966 41 I HA 0.267 4.437 4.170 -0.000 0.000 0.324 41 I C 1.751 177.725 176.117 -0.239 0.000 1.517 41 I CA -0.364 60.644 61.300 -0.487 0.000 1.117 41 I CB -0.223 37.252 38.000 -0.875 0.000 1.190 41 I HN -0.162 nan 8.210 nan 0.000 0.466 42 Q N 1.793 121.516 119.800 -0.130 0.000 2.364 42 Q HA 0.011 4.351 4.340 -0.000 0.000 0.207 42 Q C 2.209 178.179 176.000 -0.051 0.000 0.970 42 Q CA 1.435 57.195 55.803 -0.072 0.000 0.888 42 Q CB 0.180 28.895 28.738 -0.039 0.000 0.951 42 Q HN 0.788 nan 8.270 nan 0.000 0.469 43 A N 0.510 123.273 122.820 -0.095 0.000 2.178 43 A HA 0.307 4.627 4.320 -0.000 0.000 0.211 43 A C 0.985 178.603 177.584 0.057 0.000 1.157 43 A CA 0.313 52.277 52.037 -0.121 0.000 0.780 43 A CB -0.077 18.750 19.000 -0.290 0.000 0.828 43 A HN 0.298 nan 8.150 nan 0.000 0.476 44 A N 0.349 123.155 122.820 -0.022 0.000 2.591 44 A HA 0.235 4.555 4.320 -0.000 0.000 0.244 44 A C 1.551 179.103 177.584 -0.053 0.000 1.031 44 A CA 0.774 52.760 52.037 -0.085 0.000 0.767 44 A CB -0.074 18.787 19.000 -0.231 0.000 0.942 44 A HN 0.598 nan 8.150 nan 0.000 0.514 45 S N 2.214 117.886 115.700 -0.047 0.000 2.383 45 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 45 S C 0.903 175.434 174.600 -0.117 0.000 1.026 45 S CA 0.873 59.052 58.200 -0.035 0.000 0.981 45 S CB -0.522 62.674 63.200 -0.007 0.000 0.818 45 S HN 0.612 nan 8.310 nan 0.000 0.472 46 L N 3.338 124.402 121.223 -0.265 0.000 2.415 46 L HA 0.136 4.476 4.340 -0.000 0.000 0.269 46 L C 1.809 178.227 176.870 -0.753 0.000 1.244 46 L CA -0.011 54.480 54.840 -0.581 0.000 1.113 46 L CB -0.201 41.346 42.059 -0.854 0.000 1.352 46 L HN 0.441 nan 8.230 nan 0.000 0.433 47 T N -2.346 111.978 114.554 -0.384 0.000 2.803 47 T HA -0.207 4.143 4.350 -0.000 0.000 0.269 47 T C 1.588 176.176 174.700 -0.188 0.000 1.052 47 T CA 0.874 62.856 62.100 -0.197 0.000 1.136 47 T CB -0.271 68.597 68.868 -0.001 0.000 0.864 47 T HN 0.750 nan 8.240 nan 0.000 0.467 48 W N 0.871 122.144 121.300 -0.045 0.000 2.468 48 W HA 0.095 4.755 4.660 -0.000 0.000 0.262 48 W C 1.492 177.968 176.519 -0.071 0.000 1.241 48 W CA -0.267 57.036 57.345 -0.070 0.000 1.232 48 W CB -1.072 28.324 29.460 -0.106 0.000 1.124 48 W HN 0.213 nan 8.180 nan 0.000 0.597 49 L N 1.295 122.218 121.223 -0.501 0.000 2.291 49 L HA -0.013 4.327 4.340 -0.000 0.000 0.214 49 L C 2.577 179.315 176.870 -0.220 0.000 1.120 49 L CA 1.431 56.020 54.840 -0.418 0.000 0.799 49 L CB -0.600 40.994 42.059 -0.775 0.000 0.925 49 L HN -0.157 nan 8.230 nan 0.000 0.446 50 M N -0.460 119.026 119.600 -0.191 0.000 2.279 50 M HA -0.168 4.312 4.480 -0.000 0.000 0.264 50 M C 0.531 176.796 176.300 -0.059 0.000 1.062 50 M CA 1.738 56.955 55.300 -0.138 0.000 1.099 50 M CB -0.403 32.144 32.600 -0.088 0.000 1.394 50 M HN 0.386 nan 8.290 nan 0.000 0.426 51 D N -1.277 119.117 120.400 -0.011 0.000 2.463 51 D HA 0.104 4.744 4.640 -0.000 0.000 0.224 51 D C 0.422 176.750 176.300 0.047 0.000 1.174 51 D CA 0.134 54.149 54.000 0.024 0.000 0.829 51 D CB -0.108 40.711 40.800 0.031 0.000 0.993 51 D HN 0.277 nan 8.370 nan 0.000 0.497 52 M N 0.126 119.754 119.600 0.048 0.000 2.876 52 M HA 0.212 4.692 4.480 -0.000 0.000 0.367 52 M C 1.317 177.705 176.300 0.147 0.000 1.242 52 M CA -0.344 55.013 55.300 0.095 0.000 0.889 52 M CB 1.156 33.822 32.600 0.110 0.000 1.353 52 M HN 0.030 nan 8.290 nan 0.000 0.511 53 S N 0.622 116.428 115.700 0.178 0.000 2.359 53 S HA -0.165 4.305 4.470 -0.000 0.000 0.222 53 S C 1.960 176.819 174.600 0.431 0.000 1.038 53 S CA 2.529 60.963 58.200 0.391 0.000 1.051 53 S CB 0.077 63.533 63.200 0.427 0.000 0.944 53 S HN 0.587 nan 8.310 nan 0.000 0.433 54 S N 1.362 117.219 115.700 0.262 0.000 2.359 54 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 54 S C 1.804 176.575 174.600 0.285 0.000 1.039 54 S CA 1.674 60.008 58.200 0.223 0.000 1.042 54 S CB -0.750 62.537 63.200 0.146 0.000 0.915 54 S HN 0.534 nan 8.310 nan 0.000 0.439 55 L N 1.109 122.489 121.223 0.262 0.000 2.027 55 L HA 0.006 4.346 4.340 -0.000 0.000 0.206 55 L C 2.142 179.191 176.870 0.299 0.000 1.074 55 L CA 1.350 56.357 54.840 0.278 0.000 0.745 55 L CB -0.486 41.730 42.059 0.263 0.000 0.898 55 L HN 0.256 nan 8.230 nan 0.000 0.433 56 L N -1.342 120.072 121.223 0.318 0.000 2.079 56 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 56 L C 2.345 179.485 176.870 0.450 0.000 1.081 56 L CA 1.898 56.937 54.840 0.332 0.000 0.752 56 L CB -0.839 41.366 42.059 0.244 0.000 0.896 56 L HN 0.473 nan 8.230 nan 0.000 0.433 57 Y N -0.233 120.315 120.300 0.413 0.000 2.242 57 Y HA -0.278 4.272 4.550 -0.000 0.000 0.291 57 Y C 2.746 178.731 175.900 0.142 0.000 1.137 57 Y CA 2.136 60.370 58.100 0.224 0.000 1.181 57 Y CB -0.172 38.281 38.460 -0.011 0.000 0.989 57 Y HN 0.417 nan 8.280 nan 0.000 0.527 58 Q N 0.133 120.074 119.800 0.235 0.000 2.050 58 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 58 Q C 2.121 178.159 176.000 0.063 0.000 0.980 58 Q CA 2.246 58.134 55.803 0.141 0.000 0.840 58 Q CB -0.289 28.576 28.738 0.210 0.000 0.898 58 Q HN 0.625 nan 8.270 nan 0.000 0.424 59 L N 0.263 121.536 121.223 0.084 0.000 2.083 59 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 59 L C 2.438 179.319 176.870 0.018 0.000 1.083 59 L CA 0.871 55.705 54.840 -0.011 0.000 0.752 59 L CB -0.409 41.655 42.059 0.008 0.000 0.899 59 L HN 0.296 nan 8.230 nan 0.000 0.433 60 I N -0.750 119.865 120.570 0.075 0.000 2.202 60 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 60 I C 2.601 178.723 176.117 0.007 0.000 1.091 60 I CA 1.165 62.532 61.300 0.111 0.000 1.368 60 I CB -0.305 37.808 38.000 0.189 0.000 1.058 60 I HN 0.154 nan 8.210 nan 0.000 0.410 61 S N 0.470 116.071 115.700 -0.165 0.000 2.382 61 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 61 S C 2.109 176.700 174.600 -0.015 0.000 1.027 61 S CA 1.935 60.026 58.200 -0.182 0.000 0.991 61 S CB -0.605 62.376 63.200 -0.365 0.000 0.823 61 S HN 0.615 nan 8.310 nan 0.000 0.469 62 T N 1.194 115.768 114.554 0.033 0.000 2.803 62 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 62 T C 1.390 176.200 174.700 0.183 0.000 1.052 62 T CA 0.828 63.000 62.100 0.120 0.000 1.136 62 T CB -0.267 68.703 68.868 0.170 0.000 0.864 62 T HN 0.207 nan 8.240 nan 0.000 0.467 63 R N 0.927 121.524 120.500 0.162 0.000 2.391 63 R HA 0.415 4.754 4.340 -0.000 0.000 0.249 63 R C -0.008 176.433 176.300 0.234 0.000 0.957 63 R CA -0.060 56.161 56.100 0.201 0.000 1.093 63 R CB -0.437 29.902 30.300 0.065 0.000 1.156 63 R HN 0.501 nan 8.270 nan 0.000 0.526 64 I N 3.752 124.422 120.570 0.167 0.000 2.359 64 I HA 0.220 4.390 4.170 -0.000 0.000 0.284 64 I C -2.052 174.112 176.117 0.079 0.000 1.018 64 I CA -2.243 59.144 61.300 0.146 0.000 1.173 64 I CB 1.827 39.911 38.000 0.140 0.000 1.326 64 I HN -0.263 nan 8.210 nan 0.000 0.462 65 P HA 0.023 nan 4.420 nan 0.000 0.268 65 P C 0.799 178.034 177.300 -0.108 0.000 1.205 65 P CA 0.075 63.215 63.100 0.067 0.000 0.771 65 P CB 1.358 33.263 31.700 0.342 0.000 0.858 66 S N 2.890 118.366 115.700 -0.374 0.000 2.380 66 S HA -0.232 4.238 4.470 -0.000 0.000 0.229 66 S C 1.634 176.109 174.600 -0.208 0.000 1.043 66 S CA 1.857 59.796 58.200 -0.435 0.000 1.038 66 S CB -1.009 61.638 63.200 -0.922 0.000 0.872 66 S HN 0.565 nan 8.310 nan 0.000 0.456 67 F N 1.897 121.695 119.950 -0.254 0.000 2.216 67 F HA 0.185 4.712 4.527 -0.000 0.000 0.300 67 F C 2.126 177.929 175.800 0.006 0.000 1.085 67 F CA 0.848 58.822 58.000 -0.044 0.000 1.326 67 F CB -1.121 37.914 39.000 0.059 0.000 1.027 67 F HN 0.211 nan 8.300 nan 0.000 0.497 68 A N -0.707 121.508 122.820 -1.008 0.000 2.066 68 A HA 0.093 4.413 4.320 -0.000 0.000 0.218 68 A C 1.429 178.885 177.584 -0.213 0.000 1.157 68 A CA 1.096 52.676 52.037 -0.761 0.000 0.670 68 A CB -0.668 18.007 19.000 -0.541 0.000 0.804 68 A HN 0.377 nan 8.150 nan 0.000 0.453 69 S N -0.895 114.688 115.700 -0.194 0.000 2.356 69 S HA 0.463 4.933 4.470 -0.000 0.000 0.171 69 S C -2.419 172.088 174.600 -0.155 0.000 1.399 69 S CA -1.000 57.080 58.200 -0.201 0.000 1.225 69 S CB 0.892 63.929 63.200 -0.271 0.000 1.271 69 S HN 0.087 nan 8.310 nan 0.000 0.427 70 P HA 0.050 nan 4.420 nan 0.000 0.219 70 P C 0.353 177.615 177.300 -0.063 0.000 1.150 70 P CA 1.056 64.115 63.100 -0.067 0.000 0.814 70 P CB -0.048 31.635 31.700 -0.028 0.000 0.787 71 N N -1.126 117.527 118.700 -0.078 0.000 2.236 71 N HA 0.288 5.028 4.740 -0.000 0.000 0.196 71 N C 0.581 176.046 175.510 -0.074 0.000 1.114 71 N CA 0.262 53.275 53.050 -0.063 0.000 0.859 71 N CB 0.275 38.734 38.487 -0.048 0.000 0.982 71 N HN 0.073 nan 8.380 nan 0.000 0.493 72 G N 1.112 109.850 108.800 -0.103 0.000 2.814 72 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.677 72 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.677 72 G C -0.493 174.309 174.900 -0.163 0.000 1.429 72 G CA -0.817 44.224 45.100 -0.100 0.000 0.868 72 G HN 0.153 nan 8.290 nan 0.000 0.553 73 L N -0.903 120.212 121.223 -0.180 0.000 2.456 73 L HA 0.661 5.001 4.340 -0.000 0.000 0.272 73 L C 0.615 177.407 176.870 -0.131 0.000 1.189 73 L CA -0.531 54.163 54.840 -0.243 0.000 0.846 73 L CB 0.393 42.298 42.059 -0.256 0.000 1.111 73 L HN 0.766 nan 8.230 nan 0.000 0.475 74 H N 2.837 121.784 119.070 -0.205 0.000 2.517 74 H HA 0.555 5.111 4.556 -0.000 0.000 0.317 74 H C -0.675 174.584 175.328 -0.115 0.000 1.080 74 H CA -0.677 55.284 56.048 -0.146 0.000 1.301 74 H CB 0.850 30.533 29.762 -0.132 0.000 1.425 74 H HN 0.543 nan 8.280 nan 0.000 0.471 75 M N 4.177 123.613 119.600 -0.273 0.000 2.264 75 M HA 0.291 4.771 4.480 -0.000 0.000 0.352 75 M C 0.259 176.547 176.300 -0.020 0.000 1.173 75 M CA -0.353 54.882 55.300 -0.108 0.000 1.075 75 M CB 1.216 33.729 32.600 -0.144 0.000 1.621 75 M HN 0.654 nan 8.290 nan 0.000 0.457 76 R N 1.706 122.249 120.500 0.073 0.000 2.504 76 R HA 0.019 4.359 4.340 -0.000 0.000 0.291 76 R C -0.060 176.298 176.300 0.096 0.000 0.974 76 R CA 0.504 56.679 56.100 0.125 0.000 1.077 76 R CB 0.341 30.701 30.300 0.101 0.000 0.926 76 R HN 0.603 nan 8.270 nan 0.000 0.407 77 E N 1.981 122.266 120.200 0.142 0.000 2.283 77 E HA 0.038 4.388 4.350 -0.000 0.000 0.267 77 E C -0.079 176.607 176.600 0.144 0.000 1.045 77 E CA -0.574 55.886 56.400 0.100 0.000 0.884 77 E CB 1.021 30.781 29.700 0.099 0.000 1.106 77 E HN 0.398 nan 8.360 nan 0.000 0.408 78 Q N -0.237 119.604 119.800 0.069 0.000 2.494 78 Q HA -0.203 4.137 4.340 -0.000 0.000 0.272 78 Q C 0.912 176.793 176.000 -0.199 0.000 1.145 78 Q CA 1.165 56.977 55.803 0.014 0.000 0.943 78 Q CB -2.466 26.354 28.738 0.136 0.000 1.338 78 Q HN 0.880 nan 8.270 nan 0.000 0.492 79 T N -3.322 111.165 114.554 -0.112 0.000 3.043 79 T HA 0.275 4.625 4.350 -0.000 0.000 0.263 79 T C 0.875 175.495 174.700 -0.133 0.000 1.094 79 T CA 0.465 62.471 62.100 -0.156 0.000 1.127 79 T CB 0.305 69.185 68.868 0.019 0.000 0.905 79 T HN 0.201 nan 8.240 nan 0.000 0.490 80 I N 1.283 121.799 120.570 -0.090 0.000 2.693 80 I HA 0.446 4.616 4.170 -0.000 0.000 0.303 80 I C -0.043 176.037 176.117 -0.061 0.000 1.025 80 I CA -1.013 60.252 61.300 -0.059 0.000 1.086 80 I CB 1.972 39.956 38.000 -0.028 0.000 1.268 80 I HN 0.002 nan 8.210 nan 0.000 0.440 81 D N 1.469 121.841 120.400 -0.046 0.000 2.398 81 D HA 0.251 4.891 4.640 -0.000 0.000 0.247 81 D C -0.073 176.214 176.300 -0.022 0.000 1.227 81 D CA 0.225 54.206 54.000 -0.032 0.000 0.980 81 D CB 1.233 42.018 40.800 -0.025 0.000 1.106 81 D HN 0.396 nan 8.370 nan 0.000 0.493 82 S N 0.523 116.214 115.700 -0.015 0.000 2.855 82 S HA 0.207 4.677 4.470 -0.000 0.000 0.249 82 S C 0.454 175.047 174.600 -0.011 0.000 1.033 82 S CA -0.496 57.697 58.200 -0.013 0.000 1.038 82 S CB -0.053 63.140 63.200 -0.011 0.000 0.960 82 S HN 0.426 nan 8.310 nan 0.000 0.548 83 N N 0.671 119.365 118.700 -0.011 0.000 2.159 83 N HA 0.059 4.799 4.740 -0.000 0.000 0.217 83 N C 0.803 176.307 175.510 -0.010 0.000 1.223 83 N CA 0.689 53.734 53.050 -0.009 0.000 0.896 83 N CB 1.230 39.714 38.487 -0.005 0.000 1.064 83 N HN 0.487 nan 8.380 nan 0.000 0.518 84 T N -5.159 109.388 114.554 -0.012 0.000 3.151 84 T HA 0.242 4.592 4.350 -0.000 0.000 0.257 84 T C 1.359 176.049 174.700 -0.017 0.000 0.872 84 T CA 0.699 62.791 62.100 -0.014 0.000 0.873 84 T CB 0.936 69.796 68.868 -0.013 0.000 1.272 84 T HN 0.086 nan 8.240 nan 0.000 0.543 85 G N 1.626 110.416 108.800 -0.017 0.000 2.205 85 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.261 85 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.261 85 G C 0.059 174.950 174.900 -0.015 0.000 0.980 85 G CA 0.252 45.343 45.100 -0.015 0.000 0.632 85 G HN 0.704 nan 8.290 nan 0.000 0.533 86 Q N 0.054 119.842 119.800 -0.020 0.000 2.394 86 Q HA 0.536 4.876 4.340 -0.000 0.000 0.248 86 Q C 0.862 176.852 176.000 -0.017 0.000 0.992 86 Q CA -0.610 55.180 55.803 -0.021 0.000 0.888 86 Q CB 0.443 29.162 28.738 -0.033 0.000 1.257 86 Q HN 0.379 nan 8.270 nan 0.000 0.462 87 I N 2.253 122.823 120.570 -0.000 0.000 2.683 87 I HA -0.137 4.033 4.170 -0.000 0.000 0.286 87 I C 0.837 176.955 176.117 0.003 0.000 1.175 87 I CA 0.655 61.968 61.300 0.021 0.000 1.429 87 I CB 0.182 38.238 38.000 0.093 0.000 1.371 87 I HN 0.175 nan 8.210 nan 0.000 0.569 88 Q N 6.776 126.563 119.800 -0.022 0.000 2.296 88 Q HA 0.323 4.663 4.340 -0.000 0.000 0.263 88 Q C -0.591 175.450 176.000 0.067 0.000 1.026 88 Q CA 0.037 55.814 55.803 -0.043 0.000 0.912 88 Q CB 0.959 29.575 28.738 -0.203 0.000 1.198 88 Q HN 0.472 nan 8.270 nan 0.000 0.407 89 I N 4.173 124.740 120.570 -0.004 0.000 2.412 89 I HA 0.150 4.320 4.170 -0.000 0.000 0.279 89 I C -0.616 175.501 176.117 0.000 0.000 1.063 89 I CA -0.333 60.871 61.300 -0.160 0.000 1.193 89 I CB 0.699 38.407 38.000 -0.487 0.000 1.370 89 I HN 0.523 nan 8.210 nan 0.000 0.479 90 D N 1.550 122.111 120.400 0.269 0.000 2.615 90 D HA 0.238 4.877 4.640 -0.000 0.000 0.267 90 D C 0.129 176.594 176.300 0.275 0.000 1.236 90 D CA -0.863 53.269 54.000 0.220 0.000 0.839 90 D CB 0.597 41.491 40.800 0.157 0.000 1.380 90 D HN 0.154 nan 8.370 nan 0.000 0.433 91 N N -0.205 118.511 118.700 0.027 0.000 2.091 91 N HA -0.264 4.476 4.740 -0.000 0.000 0.193 91 N C 1.224 176.690 175.510 -0.073 0.000 1.021 91 N CA 1.307 54.227 53.050 -0.216 0.000 0.862 91 N CB -0.034 37.956 38.487 -0.829 0.000 1.018 91 N HN 0.616 nan 8.380 nan 0.000 0.429 92 E N 0.058 120.198 120.200 -0.100 0.000 2.265 92 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 92 E C 0.561 176.937 176.600 -0.375 0.000 0.996 92 E CA 1.100 57.354 56.400 -0.243 0.000 0.832 92 E CB 0.163 29.640 29.700 -0.372 0.000 0.756 92 E HN 0.583 nan 8.360 nan 0.000 0.491 93 H N -1.678 117.478 119.070 0.144 0.000 2.784 93 H HA 0.257 4.812 4.556 -0.000 0.000 0.273 93 H C -0.164 175.218 175.328 0.090 0.000 1.112 93 H CA -0.415 55.726 56.048 0.155 0.000 1.162 93 H CB 0.434 30.319 29.762 0.206 0.000 1.586 93 H HN -0.146 nan 8.280 nan 0.000 0.548 94 R N 1.887 122.456 120.500 0.114 0.000 2.449 94 R HA 0.230 4.570 4.340 -0.000 0.000 0.296 94 R C -0.940 175.270 176.300 -0.150 0.000 1.047 94 R CA 0.019 55.985 56.100 -0.223 0.000 1.018 94 R CB 0.160 30.462 30.300 0.003 0.000 0.962 94 R HN 0.191 nan 8.270 nan 0.000 0.428 95 L N 5.440 126.498 121.223 -0.274 0.000 2.319 95 L HA 0.584 4.924 4.340 -0.000 0.000 0.267 95 L C -0.640 176.138 176.870 -0.154 0.000 1.011 95 L CA -1.122 53.648 54.840 -0.117 0.000 0.818 95 L CB 1.723 43.773 42.059 -0.014 0.000 1.316 95 L HN 0.485 nan 8.230 nan 0.000 0.432 96 L N 1.728 122.889 121.223 -0.103 0.000 2.401 96 L HA 0.653 4.993 4.340 -0.000 0.000 0.266 96 L C -0.624 176.161 176.870 -0.142 0.000 0.991 96 L CA -0.597 54.144 54.840 -0.164 0.000 0.818 96 L CB 2.382 44.306 42.059 -0.224 0.000 1.321 96 L HN 0.548 nan 8.230 nan 0.000 0.413 97 R N 1.611 122.017 120.500 -0.156 0.000 2.502 97 R HA 0.361 4.701 4.340 -0.000 0.000 0.300 97 R C -1.846 174.441 176.300 -0.022 0.000 0.984 97 R CA -0.548 55.487 56.100 -0.107 0.000 0.882 97 R CB 1.196 31.312 30.300 -0.306 0.000 1.180 97 R HN 0.513 nan 8.270 nan 0.000 0.444 98 W N 3.958 125.377 121.300 0.198 0.000 2.304 98 W HA 0.267 4.927 4.660 -0.000 0.000 0.313 98 W C 0.259 176.944 176.519 0.277 0.000 1.323 98 W CA 0.180 57.677 57.345 0.252 0.000 1.223 98 W CB 0.683 30.282 29.460 0.231 0.000 1.237 98 W HN 0.304 nan 8.180 nan 0.000 0.535 99 D N 1.824 122.575 120.400 0.584 0.000 2.837 99 D HA 0.200 4.840 4.640 -0.000 0.000 0.220 99 D C 0.672 177.299 176.300 0.544 0.000 1.236 99 D CA -0.560 53.747 54.000 0.512 0.000 0.838 99 D CB 1.749 42.860 40.800 0.518 0.000 1.647 99 D HN 0.286 nan 8.370 nan 0.000 0.486 100 R N 1.485 122.232 120.500 0.412 0.000 2.275 100 R HA 0.119 4.459 4.340 -0.000 0.000 0.199 100 R C 0.419 176.940 176.300 0.370 0.000 0.989 100 R CA 0.144 56.473 56.100 0.382 0.000 1.016 100 R CB 0.273 30.723 30.300 0.251 0.000 0.918 100 R HN 0.193 nan 8.270 nan 0.000 0.473 101 R N 1.986 122.652 120.500 0.277 0.000 2.340 101 R HA 0.170 4.510 4.340 -0.000 0.000 0.300 101 R C -2.105 174.126 176.300 -0.116 0.000 1.069 101 R CA -1.509 54.653 56.100 0.104 0.000 0.984 101 R CB 0.435 30.766 30.300 0.051 0.000 1.003 101 R HN 0.002 nan 8.270 nan 0.000 0.459 102 P HA 0.155 nan 4.420 nan 0.000 0.277 102 P C -2.299 174.553 177.300 -0.747 0.000 1.271 102 P CA -1.695 60.918 63.100 -0.812 0.000 0.795 102 P CB 0.651 32.149 31.700 -0.338 0.000 1.101 103 P HA -0.144 nan 4.420 nan 0.000 0.215 103 P C 1.207 178.045 177.300 -0.771 0.000 1.153 103 P CA 1.544 63.819 63.100 -1.375 0.000 0.853 103 P CB -0.306 30.245 31.700 -1.915 0.000 0.788 104 N N -0.841 117.735 118.700 -0.207 0.000 2.334 104 N HA -0.167 4.573 4.740 -0.000 0.000 0.187 104 N C 1.400 176.963 175.510 0.087 0.000 1.016 104 N CA 1.267 54.453 53.050 0.226 0.000 0.879 104 N CB -0.700 37.886 38.487 0.164 0.000 0.965 104 N HN 0.222 nan 8.380 nan 0.000 0.438 105 D N -0.344 119.979 120.400 -0.128 0.000 2.468 105 D HA 0.064 4.704 4.640 -0.000 0.000 0.243 105 D C 1.858 178.004 176.300 -0.257 0.000 0.994 105 D CA 0.192 54.115 54.000 -0.128 0.000 0.932 105 D CB 0.076 40.807 40.800 -0.115 0.000 1.078 105 D HN -0.105 nan 8.370 nan 0.000 0.473 106 I N 0.834 121.131 120.570 -0.456 0.000 2.252 106 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 106 I C 2.102 177.905 176.117 -0.524 0.000 1.102 106 I CA 0.778 61.689 61.300 -0.649 0.000 1.385 106 I CB -1.148 36.215 38.000 -1.061 0.000 1.064 106 I HN 0.043 nan 8.210 nan 0.000 0.414 107 F N 0.446 119.916 119.950 -0.799 0.000 2.365 107 F HA -0.103 4.423 4.527 -0.000 0.000 0.300 107 F C 2.314 177.730 175.800 -0.640 0.000 1.090 107 F CA 0.543 57.967 58.000 -0.960 0.000 1.408 107 F CB -1.146 36.707 39.000 -1.912 0.000 1.060 107 F HN 0.046 nan 8.300 nan 0.000 0.534 108 L N 0.070 121.186 121.223 -0.179 0.000 2.127 108 L HA 0.002 4.342 4.340 -0.000 0.000 0.203 108 L C 1.801 178.683 176.870 0.020 0.000 1.080 108 L CA 1.698 56.609 54.840 0.118 0.000 0.768 108 L CB -0.442 41.762 42.059 0.243 0.000 0.924 108 L HN -0.083 nan 8.230 nan 0.000 0.444 109 N N -0.446 118.209 118.700 -0.074 0.000 2.294 109 N HA 0.219 4.959 4.740 -0.000 0.000 0.186 109 N C 0.938 176.371 175.510 -0.127 0.000 1.107 109 N CA 0.839 53.851 53.050 -0.064 0.000 0.884 109 N CB 0.626 39.082 38.487 -0.053 0.000 1.030 109 N HN 0.418 nan 8.380 nan 0.000 0.482 110 G N 1.358 110.001 108.800 -0.260 0.000 2.645 110 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.239 110 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.239 110 G C -0.993 173.619 174.900 -0.480 0.000 1.331 110 G CA -0.566 44.313 45.100 -0.368 0.000 0.890 110 G HN 0.149 nan 8.290 nan 0.000 0.572 111 F N 0.722 120.611 119.950 -0.102 0.000 2.303 111 F HA 0.564 5.091 4.527 -0.000 0.000 0.368 111 F C 1.033 176.801 175.800 -0.052 0.000 1.105 111 F CA -0.630 57.312 58.000 -0.097 0.000 1.153 111 F CB 0.758 39.692 39.000 -0.109 0.000 1.362 111 F HN 0.355 nan 8.300 nan 0.000 0.511 112 I N 5.441 126.076 120.570 0.109 0.000 2.371 112 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 112 I C -1.986 174.181 176.117 0.083 0.000 1.028 112 I CA -1.929 59.413 61.300 0.070 0.000 1.345 112 I CB 0.780 38.808 38.000 0.047 0.000 1.407 112 I HN 0.277 nan 8.210 nan 0.000 0.501 113 P HA 0.176 nan 4.420 nan 0.000 0.271 113 P C 0.230 177.562 177.300 0.052 0.000 1.233 113 P CA -0.345 62.777 63.100 0.038 0.000 0.789 113 P CB 0.580 32.257 31.700 -0.039 0.000 0.951 114 R N -0.229 120.308 120.500 0.062 0.000 2.148 114 R HA 0.045 4.385 4.340 -0.000 0.000 0.227 114 R C 0.073 176.408 176.300 0.059 0.000 1.103 114 R CA 0.699 56.842 56.100 0.071 0.000 0.983 114 R CB -0.218 30.135 30.300 0.089 0.000 0.874 114 R HN 0.266 nan 8.270 nan 0.000 0.451 115 V N 0.800 120.736 119.914 0.037 0.000 2.398 115 V HA 0.141 4.261 4.120 -0.000 0.000 0.286 115 V C 0.732 176.870 176.094 0.073 0.000 1.026 115 V CA -0.210 62.119 62.300 0.049 0.000 0.868 115 V CB 1.683 33.521 31.823 0.025 0.000 0.982 115 V HN 0.306 nan 8.190 nan 0.000 0.443 116 T N -0.306 114.324 114.554 0.126 0.000 3.144 116 T HA 0.137 4.487 4.350 -0.000 0.000 0.290 116 T C 0.443 175.312 174.700 0.281 0.000 0.966 116 T CA -0.346 61.881 62.100 0.212 0.000 0.907 116 T CB -0.308 68.659 68.868 0.165 0.000 1.152 116 T HN 0.468 nan 8.240 nan 0.000 0.532 117 N N 2.166 120.977 118.700 0.185 0.000 2.454 117 N HA 0.083 4.823 4.740 -0.000 0.000 0.260 117 N C 1.068 176.600 175.510 0.037 0.000 1.218 117 N CA 0.224 53.334 53.050 0.099 0.000 0.904 117 N CB 0.866 39.418 38.487 0.108 0.000 1.065 117 N HN 0.354 nan 8.380 nan 0.000 0.462 118 Q N 1.615 121.260 119.800 -0.259 0.000 2.311 118 Q HA -0.068 4.272 4.340 -0.000 0.000 0.203 118 Q C -0.149 175.787 176.000 -0.106 0.000 0.954 118 Q CA 0.572 55.973 55.803 -0.670 0.000 0.885 118 Q CB 0.015 28.238 28.738 -0.859 0.000 0.963 118 Q HN 0.578 nan 8.270 nan 0.000 0.471 119 N N 1.164 119.928 118.700 0.106 0.000 2.968 119 N HA 0.105 4.844 4.740 -0.000 0.000 0.271 119 N C -1.125 174.524 175.510 0.231 0.000 1.174 119 N CA 0.041 53.243 53.050 0.254 0.000 1.096 119 N CB -0.116 38.478 38.487 0.178 0.000 1.403 119 N HN 0.068 nan 8.380 nan 0.000 0.522 120 L N 0.721 122.090 121.223 0.243 0.000 2.426 120 L HA 0.215 4.555 4.340 -0.000 0.000 0.271 120 L C 0.771 177.769 176.870 0.214 0.000 1.169 120 L CA -0.236 54.736 54.840 0.219 0.000 0.836 120 L CB 0.871 43.066 42.059 0.227 0.000 1.112 120 L HN 0.332 nan 8.230 nan 0.000 0.465 121 S N 3.214 118.987 115.700 0.122 0.000 2.513 121 S HA 0.532 5.002 4.470 -0.000 0.000 0.299 121 S C -1.864 172.700 174.600 -0.060 0.000 1.087 121 S CA -1.499 56.728 58.200 0.046 0.000 1.012 121 S CB 1.826 65.056 63.200 0.049 0.000 1.044 121 S HN 0.423 nan 8.310 nan 0.000 0.485 122 P HA 0.046 nan 4.420 nan 0.000 0.236 122 P C 1.420 178.626 177.300 -0.156 0.000 1.177 122 P CA 0.343 63.307 63.100 -0.225 0.000 0.773 122 P CB -0.025 31.338 31.700 -0.562 0.000 0.878 123 V N 0.483 120.277 119.914 -0.200 0.000 2.261 123 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 123 V C 2.443 178.370 176.094 -0.277 0.000 1.047 123 V CA 1.979 64.013 62.300 -0.443 0.000 1.015 123 V CB -0.649 30.760 31.823 -0.691 0.000 0.642 123 V HN 0.122 nan 8.190 nan 0.000 0.446 124 E N -1.659 118.481 120.200 -0.100 0.000 2.905 124 E HA 0.024 4.373 4.350 -0.000 0.000 0.197 124 E C 1.870 178.534 176.600 0.106 0.000 1.016 124 E CA 0.355 56.789 56.400 0.057 0.000 1.307 124 E CB -0.393 29.313 29.700 0.009 0.000 1.255 124 E HN 0.397 nan 8.360 nan 0.000 0.527 125 D N 1.067 121.492 120.400 0.041 0.000 2.191 125 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 125 D C 1.623 177.906 176.300 -0.028 0.000 1.003 125 D CA 2.303 56.312 54.000 0.015 0.000 0.867 125 D CB -0.213 40.600 40.800 0.021 0.000 0.926 125 D HN 0.312 nan 8.370 nan 0.000 0.450 126 T N -3.137 111.449 114.554 0.054 0.000 3.182 126 T HA 0.030 4.380 4.350 -0.000 0.000 0.277 126 T C 0.317 175.274 174.700 0.430 0.000 1.013 126 T CA -0.569 61.597 62.100 0.111 0.000 0.900 126 T CB -0.175 68.739 68.868 0.076 0.000 1.098 126 T HN -0.044 nan 8.240 nan 0.000 0.543 127 H N 2.072 121.300 119.070 0.262 0.000 3.014 127 H HA 0.413 4.969 4.556 -0.000 0.000 0.266 127 H C 1.014 176.500 175.328 0.262 0.000 1.455 127 H CA -1.742 54.438 56.048 0.221 0.000 1.402 127 H CB 0.170 30.012 29.762 0.134 0.000 1.626 127 H HN 0.170 nan 8.280 nan 0.000 0.520 128 L N 4.219 125.599 121.223 0.262 0.000 2.012 128 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 128 L C 1.778 178.549 176.870 -0.166 0.000 1.073 128 L CA 1.657 56.408 54.840 -0.149 0.000 0.748 128 L CB -0.528 41.358 42.059 -0.287 0.000 0.891 128 L HN 0.651 nan 8.230 nan 0.000 0.431 129 L N -0.761 120.310 121.223 -0.253 0.000 2.141 129 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 129 L C 2.252 178.915 176.870 -0.344 0.000 1.094 129 L CA 1.381 55.996 54.840 -0.375 0.000 0.763 129 L CB -0.555 41.317 42.059 -0.311 0.000 0.908 129 L HN 0.409 nan 8.230 nan 0.000 0.437 130 N N -0.648 117.717 118.700 -0.559 0.000 2.142 130 N HA -0.269 4.471 4.740 -0.000 0.000 0.186 130 N C 1.878 177.322 175.510 -0.111 0.000 1.023 130 N CA 1.079 53.902 53.050 -0.378 0.000 0.852 130 N CB -0.194 37.989 38.487 -0.507 0.000 0.998 130 N HN 0.296 nan 8.380 nan 0.000 0.424 131 Y N 1.037 121.246 120.300 -0.153 0.000 2.081 131 Y HA -0.173 4.377 4.550 -0.000 0.000 0.280 131 Y C 1.762 177.640 175.900 -0.036 0.000 1.163 131 Y CA 1.676 59.746 58.100 -0.050 0.000 1.135 131 Y CB -0.486 38.003 38.460 0.047 0.000 0.970 131 Y HN 0.098 nan 8.280 nan 0.000 0.498 132 L N -0.224 120.908 121.223 -0.152 0.000 2.131 132 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 132 L C 2.625 179.480 176.870 -0.025 0.000 1.092 132 L CA 1.462 56.185 54.840 -0.195 0.000 0.759 132 L CB -0.447 41.476 42.059 -0.227 0.000 0.903 132 L HN 0.183 nan 8.230 nan 0.000 0.435 133 R N -1.500 118.983 120.500 -0.029 0.000 2.189 133 R HA 0.038 4.378 4.340 -0.000 0.000 0.203 133 R C 1.536 177.946 176.300 0.185 0.000 1.012 133 R CA 1.025 57.152 56.100 0.045 0.000 1.015 133 R CB 0.259 30.534 30.300 -0.042 0.000 0.938 133 R HN 0.191 nan 8.270 nan 0.000 0.472 134 T N -0.746 113.827 114.554 0.032 0.000 2.975 134 T HA 0.046 4.396 4.350 -0.000 0.000 0.261 134 T C -0.027 174.404 174.700 -0.449 0.000 0.984 134 T CA -0.189 61.854 62.100 -0.095 0.000 0.911 134 T CB 0.246 69.084 68.868 -0.051 0.000 1.127 134 T HN 0.184 nan 8.240 nan 0.000 0.514 135 N N 2.343 120.675 118.700 -0.613 0.000 2.735 135 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 135 N C -0.100 175.264 175.510 -0.244 0.000 1.083 135 N CA 0.611 53.248 53.050 -0.689 0.000 0.703 135 N CB -1.299 36.442 38.487 -1.243 0.000 1.005 135 N HN 0.556 nan 8.380 nan 0.000 0.550 136 S N -0.643 115.012 115.700 -0.074 0.000 2.579 136 S HA 0.432 4.902 4.470 -0.000 0.000 0.275 136 S C -2.219 172.467 174.600 0.144 0.000 1.345 136 S CA -1.053 57.170 58.200 0.038 0.000 1.031 136 S CB 1.102 64.338 63.200 0.060 0.000 0.892 136 S HN 0.231 nan 8.310 nan 0.000 0.529 137 P HA 0.181 nan 4.420 nan 0.000 0.267 137 P C -0.213 177.159 177.300 0.120 0.000 1.205 137 P CA 0.053 63.223 63.100 0.116 0.000 0.765 137 P CB 0.771 32.517 31.700 0.076 0.000 0.828 138 S N 2.246 118.002 115.700 0.094 0.000 2.790 138 S HA 0.399 4.869 4.470 -0.000 0.000 0.292 138 S C 0.798 175.281 174.600 -0.193 0.000 1.197 138 S CA -0.742 57.440 58.200 -0.030 0.000 0.851 138 S CB 0.404 63.642 63.200 0.064 0.000 1.217 138 S HN 0.381 nan 8.310 nan 0.000 0.526 139 I N -1.190 119.074 120.570 -0.510 0.000 3.735 139 I HA 0.461 4.631 4.170 -0.000 0.000 0.310 139 I C -0.912 174.853 176.117 -0.587 0.000 1.270 139 I CA -0.284 60.706 61.300 -0.515 0.000 1.207 139 I CB -0.498 37.181 38.000 -0.536 0.000 1.013 139 I HN 0.247 nan 8.210 nan 0.000 0.452 140 F N 1.328 121.099 119.950 -0.298 0.000 2.385 140 F HA 0.603 5.130 4.527 -0.000 0.000 0.336 140 F C 0.168 175.836 175.800 -0.219 0.000 1.100 140 F CA -0.925 56.826 58.000 -0.416 0.000 1.116 140 F CB 1.435 39.825 39.000 -1.018 0.000 1.166 140 F HN -0.319 nan 8.300 nan 0.000 0.511 141 V N 2.149 122.160 119.914 0.161 0.000 2.525 141 V HA 0.391 4.511 4.120 -0.000 0.000 0.299 141 V C -0.439 175.793 176.094 0.229 0.000 1.034 141 V CA -0.725 61.677 62.300 0.171 0.000 0.863 141 V CB 1.809 33.686 31.823 0.091 0.000 0.999 141 V HN 0.816 nan 8.190 nan 0.000 0.423 142 S N 2.940 118.773 115.700 0.222 0.000 2.617 142 S HA 0.834 5.304 4.470 -0.000 0.000 0.283 142 S C 0.162 174.783 174.600 0.034 0.000 1.189 142 S CA -0.503 57.798 58.200 0.168 0.000 1.036 142 S CB 1.794 65.085 63.200 0.152 0.000 1.014 142 S HN 0.994 nan 8.310 nan 0.000 0.522 143 T N -1.252 113.338 114.554 0.061 0.000 2.865 143 T HA 0.709 5.059 4.350 -0.000 0.000 0.294 143 T C -0.646 174.048 174.700 -0.010 0.000 1.119 143 T CA -0.761 61.346 62.100 0.011 0.000 1.007 143 T CB 1.751 70.668 68.868 0.081 0.000 1.225 143 T HN 0.432 nan 8.240 nan 0.000 0.515 144 T N 0.436 114.989 114.554 -0.002 0.000 2.861 144 T HA 0.492 4.842 4.350 -0.000 0.000 0.287 144 T C -0.198 174.526 174.700 0.040 0.000 1.003 144 T CA -0.809 61.290 62.100 -0.001 0.000 0.977 144 T CB 0.782 69.676 68.868 0.044 0.000 0.996 144 T HN 0.689 nan 8.240 nan 0.000 0.448 145 R N 2.082 122.605 120.500 0.039 0.000 2.698 145 R HA 0.389 4.729 4.340 -0.000 0.000 0.266 145 R C 0.512 176.849 176.300 0.062 0.000 1.026 145 R CA -0.237 55.894 56.100 0.051 0.000 1.102 145 R CB 0.237 30.567 30.300 0.051 0.000 0.978 145 R HN 0.701 nan 8.270 nan 0.000 0.436 146 A N 3.446 126.303 122.820 0.063 0.000 2.371 146 A HA 0.245 4.565 4.320 -0.000 0.000 0.257 146 A C -0.022 177.571 177.584 0.014 0.000 1.089 146 A CA -0.265 51.786 52.037 0.024 0.000 0.794 146 A CB 0.471 19.522 19.000 0.086 0.000 1.029 146 A HN 0.675 nan 8.150 nan 0.000 0.488 147 R N 0.394 120.772 120.500 -0.204 0.000 2.562 147 R HA 0.598 4.938 4.340 -0.000 0.000 0.298 147 R C -1.797 174.243 176.300 -0.432 0.000 0.961 147 R CA -0.274 55.743 56.100 -0.139 0.000 0.881 147 R CB 1.554 31.831 30.300 -0.038 0.000 1.159 147 R HN 0.749 nan 8.270 nan 0.000 0.450 148 Y N 0.303 120.631 120.300 0.048 0.000 2.553 148 Y HA 0.204 4.754 4.550 -0.000 0.000 0.347 148 Y C 0.170 176.093 175.900 0.038 0.000 1.019 148 Y CA -1.177 56.950 58.100 0.046 0.000 1.032 148 Y CB 1.804 40.290 38.460 0.043 0.000 1.284 148 Y HN 0.689 nan 8.280 nan 0.000 0.466 149 N N 0.147 118.959 118.700 0.186 0.000 2.413 149 N HA 0.103 4.843 4.740 -0.000 0.000 0.266 149 N C 0.321 175.900 175.510 0.115 0.000 1.238 149 N CA -0.615 52.507 53.050 0.119 0.000 0.972 149 N CB 0.514 39.051 38.487 0.083 0.000 1.210 149 N HN 0.646 nan 8.380 nan 0.000 0.547 150 N N 0.074 118.820 118.700 0.075 0.000 2.609 150 N HA -0.106 4.634 4.740 -0.000 0.000 0.190 150 N C 0.472 176.013 175.510 0.051 0.000 1.157 150 N CA 0.706 53.790 53.050 0.056 0.000 0.918 150 N CB -0.335 38.176 38.487 0.041 0.000 0.978 150 N HN 0.615 nan 8.380 nan 0.000 0.448 151 L N -1.457 119.804 121.223 0.064 0.000 2.766 151 L HA 0.359 4.698 4.340 -0.000 0.000 0.242 151 L C 1.179 178.090 176.870 0.068 0.000 1.136 151 L CA 0.200 55.073 54.840 0.056 0.000 0.933 151 L CB 0.194 42.285 42.059 0.054 0.000 1.241 151 L HN 0.232 nan 8.230 nan 0.000 0.522 152 G N 0.938 109.797 108.800 0.098 0.000 2.141 152 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 152 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 152 G C 0.023 175.067 174.900 0.239 0.000 0.982 152 G CA -0.276 44.885 45.100 0.102 0.000 0.662 152 G HN 0.178 nan 8.290 nan 0.000 0.527 153 L N 0.762 122.129 121.223 0.240 0.000 2.312 153 L HA 0.475 4.815 4.340 -0.000 0.000 0.281 153 L C 0.934 177.949 176.870 0.241 0.000 1.070 153 L CA -0.693 54.288 54.840 0.234 0.000 0.805 153 L CB 1.315 43.451 42.059 0.129 0.000 1.174 153 L HN 0.330 nan 8.230 nan 0.000 0.434 154 E N 3.250 123.544 120.200 0.156 0.000 2.376 154 E HA 0.208 4.558 4.350 -0.000 0.000 0.266 154 E C -0.789 175.736 176.600 -0.125 0.000 1.009 154 E CA -0.156 56.118 56.400 -0.209 0.000 0.902 154 E CB 0.705 30.302 29.700 -0.173 0.000 0.972 154 E HN 0.379 nan 8.360 nan 0.000 0.439 155 I N 2.762 123.212 120.570 -0.200 0.000 2.707 155 I HA 0.134 4.304 4.170 -0.000 0.000 0.309 155 I C 0.276 176.368 176.117 -0.042 0.000 1.001 155 I CA -1.004 60.252 61.300 -0.074 0.000 1.129 155 I CB 1.877 39.848 38.000 -0.049 0.000 1.308 155 I HN 0.482 nan 8.210 nan 0.000 0.466 156 T N 5.616 120.176 114.554 0.012 0.000 2.778 156 T HA 0.087 4.437 4.350 -0.000 0.000 0.282 156 T C -2.243 172.495 174.700 0.063 0.000 0.983 156 T CA -0.569 61.561 62.100 0.049 0.000 1.193 156 T CB -0.283 68.605 68.868 0.033 0.000 0.938 156 T HN 0.316 nan 8.240 nan 0.000 0.523 157 P HA 0.206 nan 4.420 nan 0.000 0.293 157 P C -0.486 176.957 177.300 0.238 0.000 1.304 157 P CA -1.090 62.126 63.100 0.193 0.000 0.767 157 P CB 0.506 32.362 31.700 0.261 0.000 1.247 158 W N 0.715 122.086 121.300 0.119 0.000 2.347 158 W HA 0.185 4.845 4.660 -0.000 0.000 0.333 158 W C -0.814 175.726 176.519 0.036 0.000 1.383 158 W CA 1.280 58.660 57.345 0.059 0.000 1.283 158 W CB -0.120 29.374 29.460 0.058 0.000 1.253 158 W HN 0.108 nan 8.180 nan 0.000 0.563 159 T N 9.321 123.412 114.554 -0.772 0.000 2.881 159 T HA 0.261 4.611 4.350 -0.000 0.000 0.291 159 T C -2.488 171.419 174.700 -1.321 0.000 0.990 159 T CA -1.284 60.215 62.100 -1.002 0.000 0.976 159 T CB 1.595 70.097 68.868 -0.609 0.000 0.970 159 T HN 0.184 nan 8.240 nan 0.000 0.438 160 P HA 0.080 nan 4.420 nan 0.000 0.266 160 P C 0.528 177.472 177.300 -0.592 0.000 1.195 160 P CA -0.124 62.430 63.100 -0.911 0.000 0.768 160 P CB 0.679 32.048 31.700 -0.551 0.000 0.838 161 H N 1.176 120.006 119.070 -0.401 0.000 2.456 161 H HA -0.078 4.478 4.556 -0.000 0.000 0.296 161 H C 1.730 176.946 175.328 -0.187 0.000 1.079 161 H CA 1.962 57.847 56.048 -0.271 0.000 1.322 161 H CB -0.642 29.009 29.762 -0.185 0.000 1.388 161 H HN 0.479 nan 8.280 nan 0.000 0.538 162 S N -0.312 115.369 115.700 -0.032 0.000 2.575 162 S HA 0.267 4.737 4.470 -0.000 0.000 0.215 162 S C 2.146 176.696 174.600 -0.085 0.000 0.966 162 S CA 0.241 58.434 58.200 -0.011 0.000 0.911 162 S CB 0.113 63.362 63.200 0.082 0.000 0.780 162 S HN 0.366 nan 8.310 nan 0.000 0.514 163 A N 2.773 125.467 122.820 -0.211 0.000 2.076 163 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 163 A C 1.769 179.225 177.584 -0.214 0.000 1.160 163 A CA 1.443 53.300 52.037 -0.299 0.000 0.653 163 A CB -0.522 18.118 19.000 -0.601 0.000 0.801 163 A HN 0.587 nan 8.150 nan 0.000 0.455 164 N N 0.417 119.029 118.700 -0.146 0.000 2.280 164 N HA 0.048 4.788 4.740 -0.000 0.000 0.192 164 N C -0.576 174.914 175.510 -0.033 0.000 1.109 164 N CA 0.067 53.069 53.050 -0.080 0.000 0.855 164 N CB 0.033 38.477 38.487 -0.072 0.000 0.974 164 N HN 0.498 nan 8.380 nan 0.000 0.482 165 N N 1.565 120.246 118.700 -0.033 0.000 2.408 165 N HA 0.201 4.941 4.740 -0.000 0.000 0.280 165 N C -0.224 175.282 175.510 -0.006 0.000 1.002 165 N CA -0.289 52.754 53.050 -0.013 0.000 0.907 165 N CB 1.464 39.945 38.487 -0.010 0.000 1.161 165 N HN 0.116 nan 8.380 nan 0.000 0.488 166 N N 0.084 118.777 118.700 -0.011 0.000 1.527 166 N HA -0.267 4.473 4.740 -0.000 0.000 0.109 166 N C -0.720 174.758 175.510 -0.053 0.000 0.829 166 N CA 0.774 53.802 53.050 -0.038 0.000 0.846 166 N CB -0.465 38.004 38.487 -0.029 0.000 0.864 166 N HN 0.484 nan 8.380 nan 0.000 0.691 167 I N 1.072 121.591 120.570 -0.086 0.000 2.301 167 I HA 0.436 4.606 4.170 -0.000 0.000 0.292 167 I C -0.146 175.969 176.117 -0.003 0.000 1.046 167 I CA -0.006 61.225 61.300 -0.115 0.000 1.282 167 I CB 0.350 38.245 38.000 -0.175 0.000 1.409 167 I HN 0.278 nan 8.210 nan 0.000 0.484 168 I N 5.862 126.436 120.570 0.006 0.000 3.042 168 I HA 0.497 4.667 4.170 -0.000 0.000 0.310 168 I C -1.441 174.708 176.117 0.052 0.000 1.117 168 I CA -0.723 60.664 61.300 0.144 0.000 1.003 168 I CB 2.546 40.680 38.000 0.224 0.000 1.228 168 I HN 0.330 nan 8.210 nan 0.000 0.443 169 Y N 3.557 124.063 120.300 0.343 0.000 2.485 169 Y HA 0.530 5.080 4.550 -0.000 0.000 0.345 169 Y C -0.268 175.687 175.900 0.091 0.000 0.998 169 Y CA -0.753 57.449 58.100 0.169 0.000 1.059 169 Y CB 1.647 40.035 38.460 -0.119 0.000 1.234 169 Y HN 0.325 nan 8.280 nan 0.000 0.461 170 R N 3.044 123.550 120.500 0.010 0.000 2.363 170 R HA 0.322 4.662 4.340 -0.000 0.000 0.297 170 R C -1.858 174.183 176.300 -0.431 0.000 1.208 170 R CA -0.532 55.327 56.100 -0.402 0.000 1.121 170 R CB 0.168 30.152 30.300 -0.527 0.000 1.124 170 R HN 0.730 nan 8.270 nan 0.000 0.561 171 Y N 1.554 121.775 120.300 -0.132 0.000 2.377 171 Y HA 0.087 4.637 4.550 -0.000 0.000 0.330 171 Y C 0.714 176.544 175.900 -0.117 0.000 1.108 171 Y CA 0.190 58.284 58.100 -0.010 0.000 1.308 171 Y CB 0.848 39.457 38.460 0.248 0.000 1.216 171 Y HN 0.410 nan 8.280 nan 0.000 0.518 172 E N 4.296 124.519 120.200 0.038 0.000 2.174 172 E HA 0.518 4.868 4.350 -0.000 0.000 0.282 172 E C -1.425 175.166 176.600 -0.014 0.000 0.992 172 E CA -0.433 55.918 56.400 -0.081 0.000 0.803 172 E CB 0.691 30.324 29.700 -0.111 0.000 1.090 172 E HN 0.615 nan 8.360 nan 0.000 0.396 173 I N 4.346 124.822 120.570 -0.156 0.000 2.582 173 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 173 I C -1.170 174.786 176.117 -0.269 0.000 1.066 173 I CA -0.735 60.542 61.300 -0.039 0.000 1.053 173 I CB 1.491 39.493 38.000 0.002 0.000 1.241 173 I HN 0.470 nan 8.210 nan 0.000 0.421 174 F N 5.073 125.212 119.950 0.314 0.000 2.513 174 F HA 0.738 5.265 4.527 -0.000 0.000 0.358 174 F C 0.208 176.165 175.800 0.262 0.000 1.118 174 F CA -0.476 57.717 58.000 0.322 0.000 1.037 174 F CB 1.664 40.928 39.000 0.439 0.000 1.276 174 F HN 0.426 nan 8.300 nan 0.000 0.446 175 A N 4.225 127.160 122.820 0.191 0.000 2.413 175 A HA 0.924 5.244 4.320 -0.000 0.000 0.307 175 A C -2.844 174.685 177.584 -0.090 0.000 1.087 175 A CA -1.994 49.922 52.037 -0.201 0.000 0.750 175 A CB 1.711 20.476 19.000 -0.393 0.000 1.296 175 A HN 0.313 nan 8.150 nan 0.000 0.423 176 P HA 0.390 nan 4.420 nan 0.000 0.271 176 P C 0.885 178.222 177.300 0.063 0.000 1.218 176 P CA 1.575 64.616 63.100 -0.099 0.000 0.780 176 P CB 0.762 32.357 31.700 -0.174 0.000 0.901 177 G N 1.354 110.192 108.800 0.064 0.000 2.566 177 G HA2 0.201 4.161 3.960 -0.000 0.000 0.280 177 G HA3 0.201 4.161 3.960 -0.000 0.000 0.280 177 G C 0.134 174.960 174.900 -0.124 0.000 1.225 177 G CA 0.544 45.671 45.100 0.046 0.000 0.966 177 G HN 1.302 nan 8.290 nan 0.000 0.560 178 G N -2.165 106.410 108.800 -0.374 0.000 2.675 178 G HA2 0.321 4.281 3.960 -0.000 0.000 0.686 178 G HA3 0.321 4.281 3.960 -0.000 0.000 0.686 178 G C -0.467 174.246 174.900 -0.311 0.000 1.215 178 G CA -0.029 44.514 45.100 -0.929 0.000 0.777 178 G HN 1.544 nan 8.290 nan 0.000 0.638 179 I N 1.177 121.605 120.570 -0.237 0.000 2.331 179 I HA 0.244 4.414 4.170 -0.000 0.000 0.292 179 I C -0.081 176.002 176.117 -0.057 0.000 0.998 179 I CA -0.578 60.693 61.300 -0.048 0.000 1.267 179 I CB 1.659 39.681 38.000 0.037 0.000 1.386 179 I HN 0.506 nan 8.210 nan 0.000 0.476 180 D N 7.410 127.810 120.400 0.000 0.000 2.402 180 D HA 0.118 4.758 4.640 -0.000 0.000 0.235 180 D C 1.122 177.408 176.300 -0.024 0.000 1.226 180 D CA -0.226 53.770 54.000 -0.006 0.000 0.918 180 D CB 0.764 41.577 40.800 0.021 0.000 1.043 180 D HN 0.287 nan 8.370 nan 0.000 0.506 181 I N 3.496 124.067 120.570 0.001 0.000 2.163 181 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 181 I C 2.038 178.192 176.117 0.061 0.000 1.085 181 I CA 0.939 62.288 61.300 0.081 0.000 1.347 181 I CB -1.213 36.838 38.000 0.084 0.000 1.044 181 I HN 0.437 nan 8.210 nan 0.000 0.408 182 N N 1.433 120.130 118.700 -0.005 0.000 2.104 182 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 182 N C 1.736 177.204 175.510 -0.070 0.000 1.024 182 N CA 1.914 54.949 53.050 -0.025 0.000 0.853 182 N CB -0.132 38.328 38.487 -0.045 0.000 1.008 182 N HN 0.327 nan 8.380 nan 0.000 0.424 183 A N -1.155 121.589 122.820 -0.126 0.000 2.121 183 A HA 0.036 4.355 4.320 -0.000 0.000 0.218 183 A C 2.183 179.656 177.584 -0.185 0.000 1.154 183 A CA 1.391 53.313 52.037 -0.192 0.000 0.679 183 A CB -0.342 18.433 19.000 -0.374 0.000 0.795 183 A HN 0.359 nan 8.150 nan 0.000 0.458 184 S N -1.493 114.058 115.700 -0.249 0.000 2.456 184 S HA 0.352 4.822 4.470 -0.000 0.000 0.224 184 S C -0.105 174.032 174.600 -0.772 0.000 1.035 184 S CA 0.280 58.129 58.200 -0.584 0.000 0.940 184 S CB -0.051 62.620 63.200 -0.882 0.000 0.799 184 S HN 0.423 nan 8.310 nan 0.000 0.508 185 F N 0.216 120.111 119.950 -0.092 0.000 2.588 185 F HA 0.510 5.037 4.527 -0.000 0.000 0.314 185 F C 0.205 175.939 175.800 -0.110 0.000 1.069 185 F CA -1.049 56.881 58.000 -0.118 0.000 0.931 185 F CB 1.842 40.770 39.000 -0.119 0.000 1.260 185 F HN -0.316 nan 8.300 nan 0.000 0.465 186 S N 2.378 118.133 115.700 0.091 0.000 2.217 186 S HA 0.320 4.790 4.470 -0.000 0.000 0.168 186 S C -0.930 173.668 174.600 -0.004 0.000 1.526 186 S CA -0.662 57.549 58.200 0.019 0.000 1.150 186 S CB -0.371 62.824 63.200 -0.008 0.000 1.158 186 S HN 0.523 nan 8.310 nan 0.000 0.473 187 R N 1.988 122.485 120.500 -0.005 0.000 2.476 187 R HA 0.448 4.788 4.340 -0.000 0.000 0.305 187 R C -0.697 175.582 176.300 -0.035 0.000 0.965 187 R CA -0.630 55.449 56.100 -0.035 0.000 0.867 187 R CB 0.347 30.592 30.300 -0.092 0.000 1.176 187 R HN 0.239 nan 8.270 nan 0.000 0.447 194 N N 2.146 120.761 118.700 -0.142 0.000 2.521 194 N HA 0.048 4.788 4.740 -0.000 0.000 0.236 194 N C 1.131 176.552 175.510 -0.149 0.000 1.067 194 N CA -0.254 52.674 53.050 -0.203 0.000 0.939 194 N CB 0.958 39.042 38.487 -0.673 0.000 1.201 194 N HN 0.518 nan 8.380 nan 0.000 0.511 195 E N 0.912 121.082 120.200 -0.049 0.000 2.401 195 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 195 E C -0.321 176.254 176.600 -0.043 0.000 1.023 195 E CA 0.920 57.299 56.400 -0.035 0.000 0.859 195 E CB 0.144 29.841 29.700 -0.005 0.000 0.780 195 E HN 0.392 nan 8.360 nan 0.000 0.523 196 D N 1.105 121.469 120.400 -0.059 0.000 2.368 196 D HA 0.028 4.668 4.640 -0.000 0.000 0.218 196 D C -0.399 175.845 176.300 -0.093 0.000 1.112 196 D CA 0.028 54.001 54.000 -0.045 0.000 0.834 196 D CB 0.221 41.031 40.800 0.017 0.000 0.953 196 D HN 0.308 nan 8.370 nan 0.000 0.505 197 E N 1.372 121.479 120.200 -0.154 0.000 2.324 197 E HA 0.106 4.456 4.350 -0.000 0.000 0.271 197 E C -0.488 176.075 176.600 -0.063 0.000 1.028 197 E CA -0.102 56.204 56.400 -0.158 0.000 0.890 197 E CB 0.522 30.092 29.700 -0.218 0.000 1.004 197 E HN -0.085 nan 8.360 nan 0.000 0.431 198 I N 4.320 124.879 120.570 -0.019 0.000 2.436 198 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 198 I C -0.183 175.952 176.117 0.031 0.000 1.010 198 I CA -0.594 60.700 61.300 -0.011 0.000 1.098 198 I CB 1.472 39.488 38.000 0.027 0.000 1.266 198 I HN 0.463 nan 8.210 nan 0.000 0.434 199 T N 6.443 120.960 114.554 -0.062 0.000 2.823 199 T HA 0.595 4.945 4.350 -0.000 0.000 0.279 199 T C -0.589 174.059 174.700 -0.086 0.000 0.998 199 T CA -0.245 61.879 62.100 0.040 0.000 0.994 199 T CB 0.961 69.844 68.868 0.025 0.000 0.960 199 T HN 0.140 nan 8.240 nan 0.000 0.448 200 F N 4.082 124.090 119.950 0.096 0.000 2.375 200 F HA 0.375 4.902 4.527 -0.000 0.000 0.361 200 F C -2.233 173.611 175.800 0.075 0.000 1.117 200 F CA -2.550 55.489 58.000 0.066 0.000 1.037 200 F CB 1.645 40.653 39.000 0.013 0.000 1.192 200 F HN 0.281 nan 8.300 nan 0.000 0.452 201 P HA 0.220 nan 4.420 nan 0.000 0.276 201 P C 0.674 177.869 177.300 -0.175 0.000 1.243 201 P CA 0.403 63.489 63.100 -0.024 0.000 0.768 201 P CB 0.993 32.655 31.700 -0.064 0.000 0.856 202 G N 2.403 111.057 108.800 -0.243 0.000 2.157 202 G HA2 0.027 3.987 3.960 -0.000 0.000 0.248 202 G HA3 0.027 3.987 3.960 -0.000 0.000 0.248 202 G C 0.583 175.408 174.900 -0.126 0.000 0.979 202 G CA 0.271 45.215 45.100 -0.261 0.000 0.650 202 G HN 0.979 nan 8.290 nan 0.000 0.529 203 G N -0.917 107.875 108.800 -0.013 0.000 2.642 203 G HA2 0.056 4.016 3.960 -0.000 0.000 0.231 203 G HA3 0.056 4.016 3.960 -0.000 0.000 0.231 203 G C -0.247 174.678 174.900 0.042 0.000 1.338 203 G CA 0.010 45.142 45.100 0.053 0.000 0.883 203 G HN 1.430 nan 8.290 nan 0.000 0.570 204 I N 0.507 121.115 120.570 0.063 0.000 2.478 204 I HA 0.391 4.561 4.170 -0.000 0.000 0.287 204 I C 0.740 176.940 176.117 0.139 0.000 1.042 204 I CA -0.826 60.504 61.300 0.050 0.000 1.067 204 I CB 1.948 39.916 38.000 -0.053 0.000 1.233 204 I HN 0.512 nan 8.210 nan 0.000 0.431 205 R N 6.240 126.881 120.500 0.236 0.000 2.694 205 R HA 0.153 4.493 4.340 -0.000 0.000 0.268 205 R C -1.397 174.906 176.300 0.004 0.000 1.061 205 R CA -1.202 54.963 56.100 0.108 0.000 1.133 205 R CB 0.522 30.877 30.300 0.092 0.000 1.020 205 R HN 0.377 nan 8.270 nan 0.000 0.475 206 P HA -0.177 nan 4.420 nan 0.000 0.223 206 P C 0.578 177.779 177.300 -0.165 0.000 1.151 206 P CA 1.230 64.239 63.100 -0.152 0.000 0.787 206 P CB 0.088 31.700 31.700 -0.146 0.000 0.788 207 E N -0.384 119.632 120.200 -0.306 0.000 2.472 207 E HA -0.118 4.231 4.350 -0.000 0.000 0.200 207 E C 0.675 177.032 176.600 -0.406 0.000 1.046 207 E CA 0.737 56.895 56.400 -0.403 0.000 0.871 207 E CB -0.813 28.556 29.700 -0.552 0.000 0.806 207 E HN 0.262 nan 8.360 nan 0.000 0.533 208 F N 0.925 120.933 119.950 0.097 0.000 2.695 208 F HA 0.353 4.880 4.527 -0.000 0.000 0.303 208 F C 0.892 176.921 175.800 0.381 0.000 1.091 208 F CA -0.387 57.749 58.000 0.226 0.000 1.300 208 F CB 0.240 39.294 39.000 0.091 0.000 1.071 208 F HN -0.140 nan 8.300 nan 0.000 0.578 209 I N 0.686 121.474 120.570 0.363 0.000 2.306 209 I HA 0.265 4.435 4.170 -0.000 0.000 0.288 209 I C 1.407 177.568 176.117 0.075 0.000 1.036 209 I CA -0.252 61.185 61.300 0.229 0.000 1.221 209 I CB 1.442 39.516 38.000 0.123 0.000 1.385 209 I HN 0.020 nan 8.210 nan 0.000 0.472 210 R N 4.057 124.485 120.500 -0.120 0.000 2.100 210 R HA 0.044 4.384 4.340 -0.000 0.000 0.220 210 R C 0.497 176.666 176.300 -0.218 0.000 1.091 210 R CA 0.995 56.768 56.100 -0.546 0.000 0.986 210 R CB 0.416 30.009 30.300 -1.178 0.000 0.888 210 R HN 0.810 nan 8.270 nan 0.000 0.444 211 S N -2.227 113.472 115.700 -0.001 0.000 2.636 211 S HA 0.394 4.864 4.470 -0.000 0.000 0.268 211 S C -0.903 173.851 174.600 0.256 0.000 1.159 211 S CA -0.764 57.545 58.200 0.182 0.000 0.815 211 S CB 2.108 65.362 63.200 0.091 0.000 1.130 211 S HN -0.005 nan 8.310 nan 0.000 0.471 212 T N 0.549 115.251 114.554 0.246 0.000 2.932 212 T HA 0.602 4.952 4.350 -0.000 0.000 0.318 212 T C -2.246 172.564 174.700 0.185 0.000 1.265 212 T CA -0.417 61.654 62.100 -0.048 0.000 1.036 212 T CB 0.844 69.372 68.868 -0.566 0.000 1.209 212 T HN 0.525 nan 8.240 nan 0.000 0.484 213 Y N 2.034 122.310 120.300 -0.040 0.000 2.320 213 Y HA 0.499 5.049 4.550 -0.000 0.000 0.334 213 Y C 0.667 176.535 175.900 -0.054 0.000 1.055 213 Y CA -1.624 56.418 58.100 -0.098 0.000 1.143 213 Y CB 1.060 39.373 38.460 -0.244 0.000 1.193 213 Y HN 0.614 nan 8.280 nan 0.000 0.477 214 E N 3.098 123.346 120.200 0.080 0.000 2.146 214 E HA 0.294 4.644 4.350 -0.000 0.000 0.282 214 E C -1.773 174.710 176.600 -0.195 0.000 0.989 214 E CA -0.470 55.896 56.400 -0.058 0.000 0.799 214 E CB 0.535 30.377 29.700 0.236 0.000 1.088 214 E HN 0.544 nan 8.360 nan 0.000 0.397 215 Y N 2.763 123.022 120.300 -0.069 0.000 2.331 215 Y HA 0.257 4.807 4.550 -0.000 0.000 0.338 215 Y C -0.116 175.869 175.900 0.142 0.000 0.992 215 Y CA -0.555 57.578 58.100 0.054 0.000 1.121 215 Y CB 1.357 39.868 38.460 0.085 0.000 1.184 215 Y HN 0.487 nan 8.280 nan 0.000 0.469 216 H N 4.293 123.421 119.070 0.097 0.000 2.595 216 H HA 0.182 4.738 4.556 -0.000 0.000 0.313 216 H C -0.420 174.958 175.328 0.084 0.000 1.023 216 H CA -0.781 55.306 56.048 0.065 0.000 1.218 216 H CB 0.878 30.662 29.762 0.037 0.000 1.403 216 H HN 0.759 nan 8.280 nan 0.000 0.477 217 N N 3.113 121.890 118.700 0.129 0.000 2.705 217 N HA -0.220 4.519 4.740 -0.000 0.000 0.255 217 N C 1.232 176.803 175.510 0.102 0.000 1.008 217 N CA 1.243 54.344 53.050 0.085 0.000 0.742 217 N CB -0.908 37.619 38.487 0.066 0.000 0.906 217 N HN 1.183 nan 8.380 nan 0.000 0.541 218 G N -1.068 107.811 108.800 0.132 0.000 2.336 218 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 218 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 218 G C -0.168 174.911 174.900 0.298 0.000 1.053 218 G CA 0.459 45.634 45.100 0.126 0.000 0.625 218 G HN 0.474 nan 8.290 nan 0.000 0.511 219 E N 0.845 121.199 120.200 0.257 0.000 2.313 219 E HA 0.545 4.895 4.350 -0.000 0.000 0.272 219 E C 0.251 176.926 176.600 0.124 0.000 1.038 219 E CA -0.603 55.908 56.400 0.184 0.000 0.863 219 E CB 1.513 31.262 29.700 0.082 0.000 1.060 219 E HN 0.478 nan 8.360 nan 0.000 0.402 220 I N 1.900 122.413 120.570 -0.095 0.000 2.416 220 I HA -0.037 4.132 4.170 -0.000 0.000 0.288 220 I C 1.475 177.430 176.117 -0.270 0.000 1.051 220 I CA -0.251 60.797 61.300 -0.420 0.000 1.375 220 I CB 0.757 38.405 38.000 -0.587 0.000 1.407 220 I HN 0.365 nan 8.210 nan 0.000 0.516 221 V N 2.502 122.256 119.914 -0.267 0.000 3.431 221 V HA 0.382 4.502 4.120 -0.000 0.000 0.253 221 V C 0.711 176.655 176.094 -0.249 0.000 1.184 221 V CA 0.136 62.294 62.300 -0.238 0.000 1.104 221 V CB -0.157 31.482 31.823 -0.306 0.000 0.799 221 V HN 0.841 nan 8.190 nan 0.000 0.462 222 R N -0.433 119.907 120.500 -0.267 0.000 2.629 222 R HA 0.660 5.000 4.340 -0.000 0.000 0.266 222 R C -2.088 174.051 176.300 -0.268 0.000 1.051 222 R CA -0.726 55.181 56.100 -0.322 0.000 0.895 222 R CB 2.261 32.308 30.300 -0.421 0.000 1.246 222 R HN 0.316 nan 8.270 nan 0.000 0.459 223 I N 2.939 123.337 120.570 -0.285 0.000 2.382 223 I HA 0.335 4.505 4.170 -0.000 0.000 0.285 223 I C -0.900 175.146 176.117 -0.119 0.000 1.007 223 I CA -0.499 60.758 61.300 -0.072 0.000 1.142 223 I CB 1.206 39.187 38.000 -0.031 0.000 1.289 223 I HN 0.440 nan 8.210 nan 0.000 0.453 224 W N 7.151 128.511 121.300 0.099 0.000 2.365 224 W HA 0.599 5.259 4.660 -0.000 0.000 0.316 224 W C -0.228 176.419 176.519 0.213 0.000 1.164 224 W CA -0.285 57.156 57.345 0.160 0.000 1.204 224 W CB 0.976 30.546 29.460 0.183 0.000 1.213 224 W HN 0.203 nan 8.180 nan 0.000 0.539 225 I N 3.319 124.127 120.570 0.397 0.000 2.509 225 I HA 0.181 4.351 4.170 -0.000 0.000 0.293 225 I C -0.332 175.966 176.117 0.302 0.000 1.020 225 I CA -1.146 60.281 61.300 0.212 0.000 1.088 225 I CB 1.660 39.616 38.000 -0.074 0.000 1.267 225 I HN 0.301 nan 8.210 nan 0.000 0.430 226 N N 7.613 126.295 118.700 -0.030 0.000 2.500 226 N HA 0.324 5.064 4.740 -0.000 0.000 0.236 226 N C -2.018 173.557 175.510 0.109 0.000 1.022 226 N CA -2.369 50.542 53.050 -0.232 0.000 0.935 226 N CB 1.402 39.311 38.487 -0.963 0.000 1.147 226 N HN 0.200 nan 8.380 nan 0.000 0.512 227 P HA -0.118 nan 4.420 nan 0.000 0.218 227 P C 0.541 177.907 177.300 0.110 0.000 1.146 227 P CA 1.091 64.303 63.100 0.187 0.000 0.813 227 P CB 0.260 32.056 31.700 0.161 0.000 0.778 228 N N -1.664 117.092 118.700 0.093 0.000 2.383 228 N HA -0.040 4.700 4.740 -0.000 0.000 0.192 228 N C -0.004 175.507 175.510 0.001 0.000 1.141 228 N CA -0.329 52.740 53.050 0.031 0.000 0.851 228 N CB -0.768 37.741 38.487 0.038 0.000 0.976 228 N HN -0.097 nan 8.380 nan 0.000 0.465 229 F N 0.600 120.491 119.950 -0.098 0.000 2.602 229 F HA 0.014 4.541 4.527 -0.000 0.000 0.367 229 F C 1.544 177.298 175.800 -0.077 0.000 1.126 229 F CA -0.245 57.701 58.000 -0.090 0.000 1.321 229 F CB 0.377 39.360 39.000 -0.028 0.000 1.094 229 F HN 0.019 nan 8.300 nan 0.000 0.594 230 I N 3.188 123.155 120.570 -1.005 0.000 2.399 230 I HA -0.262 3.908 4.170 -0.000 0.000 0.254 230 I C 0.756 176.546 176.117 -0.544 0.000 1.146 230 I CA 1.339 62.206 61.300 -0.723 0.000 1.412 230 I CB -0.629 36.995 38.000 -0.626 0.000 1.076 230 I HN 0.575 nan 8.210 nan 0.000 0.432 231 N N 0.704 119.003 118.700 -0.668 0.000 2.800 231 N HA 0.247 4.987 4.740 -0.000 0.000 0.240 231 N C -2.115 173.451 175.510 0.093 0.000 1.096 231 N CA -2.018 50.925 53.050 -0.178 0.000 0.877 231 N CB 1.069 39.499 38.487 -0.095 0.000 1.138 231 N HN 0.074 nan 8.380 nan 0.000 0.509 232 P HA -0.017 nan 4.420 nan 0.000 0.242 232 P C 0.588 177.981 177.300 0.155 0.000 1.197 232 P CA 0.530 63.709 63.100 0.132 0.000 0.765 232 P CB 0.138 31.866 31.700 0.046 0.000 0.936 233 S N -1.589 114.188 115.700 0.130 0.000 2.540 233 S HA 0.041 4.511 4.470 -0.000 0.000 0.218 233 S C 1.292 175.977 174.600 0.141 0.000 0.977 233 S CA 0.369 58.650 58.200 0.135 0.000 0.918 233 S CB -1.052 62.201 63.200 0.088 0.000 0.806 233 S HN 0.192 nan 8.310 nan 0.000 0.496 234 T N -0.732 113.917 114.554 0.158 0.000 3.129 234 T HA 0.410 4.760 4.350 -0.000 0.000 0.267 234 T C 1.316 176.103 174.700 0.145 0.000 1.018 234 T CA -0.354 61.822 62.100 0.126 0.000 0.903 234 T CB -0.386 68.532 68.868 0.084 0.000 1.067 234 T HN 0.314 nan 8.240 nan 0.000 0.549 235 L N 0.870 122.223 121.223 0.217 0.000 2.275 235 L HA 0.091 4.431 4.340 -0.000 0.000 0.215 235 L C 1.935 178.940 176.870 0.224 0.000 1.119 235 L CA 0.774 55.760 54.840 0.243 0.000 0.790 235 L CB -0.475 41.825 42.059 0.402 0.000 0.919 235 L HN 0.343 nan 8.230 nan 0.000 0.443 236 N N -0.293 118.537 118.700 0.216 0.000 2.336 236 N HA -0.044 4.696 4.740 -0.000 0.000 0.189 236 N C 0.511 176.096 175.510 0.125 0.000 1.113 236 N CA 0.407 53.560 53.050 0.172 0.000 0.858 236 N CB 0.289 38.864 38.487 0.146 0.000 0.970 236 N HN 0.296 nan 8.380 nan 0.000 0.471 237 D N 0.163 120.628 120.400 0.107 0.000 2.339 237 D HA 0.038 4.678 4.640 -0.000 0.000 0.217 237 D C 0.425 176.774 176.300 0.082 0.000 1.050 237 D CA 0.121 54.169 54.000 0.079 0.000 0.856 237 D CB 0.796 41.625 40.800 0.048 0.000 0.922 237 D HN -0.074 nan 8.370 nan 0.000 0.518 238 V N 1.908 121.870 119.914 0.081 0.000 2.585 238 V HA 0.121 4.241 4.120 -0.000 0.000 0.296 238 V C 0.738 176.891 176.094 0.099 0.000 1.035 238 V CA 0.016 62.371 62.300 0.092 0.000 1.084 238 V CB 0.903 32.768 31.823 0.071 0.000 0.953 238 V HN 0.139 nan 8.190 nan 0.000 0.483 239 S N 3.232 119.012 115.700 0.134 0.000 2.634 239 S HA 1.016 5.486 4.470 -0.000 0.000 0.296 239 S C -0.145 174.548 174.600 0.155 0.000 1.104 239 S CA -0.128 58.143 58.200 0.119 0.000 0.920 239 S CB 2.436 65.707 63.200 0.117 0.000 1.111 239 S HN 1.253 nan 8.310 nan 0.000 0.493 240 G N -0.262 108.575 108.800 0.060 0.000 2.490 240 G HA2 0.631 4.590 3.960 -0.000 0.000 0.308 240 G HA3 0.631 4.590 3.960 -0.000 0.000 0.308 240 G C -3.667 171.183 174.900 -0.083 0.000 1.286 240 G CA -0.969 44.102 45.100 -0.048 0.000 0.825 240 G HN 0.605 nan 8.290 nan 0.000 0.479 241 P HA 0.285 nan 4.420 nan 0.000 0.275 241 P C 0.449 177.697 177.300 -0.087 0.000 1.228 241 P CA -0.212 62.826 63.100 -0.102 0.000 0.786 241 P CB 0.946 32.570 31.700 -0.127 0.000 0.927 242 S N 1.302 116.974 115.700 -0.047 0.000 2.569 242 S HA -0.025 4.445 4.470 -0.000 0.000 0.274 242 S C 0.712 175.285 174.600 -0.046 0.000 1.353 242 S CA 0.052 58.232 58.200 -0.032 0.000 1.023 242 S CB -0.794 62.399 63.200 -0.011 0.000 0.876 242 S HN 0.690 nan 8.310 nan 0.000 0.540 243 N N -0.843 117.837 118.700 -0.034 0.000 2.714 243 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 243 N C -1.176 174.294 175.510 -0.066 0.000 1.117 243 N CA 0.817 53.845 53.050 -0.037 0.000 0.719 243 N CB -1.275 37.196 38.487 -0.027 0.000 1.081 243 N HN 0.690 nan 8.380 nan 0.000 0.557 244 I N 0.787 121.302 120.570 -0.092 0.000 2.418 244 I HA 0.211 4.381 4.170 -0.000 0.000 0.287 244 I C 0.338 176.373 176.117 -0.136 0.000 1.008 244 I CA -0.860 60.359 61.300 -0.134 0.000 1.104 244 I CB 1.732 39.618 38.000 -0.190 0.000 1.264 244 I HN 0.171 nan 8.210 nan 0.000 0.438 245 S N 6.250 121.864 115.700 -0.144 0.000 2.564 245 S HA 0.334 4.804 4.470 -0.000 0.000 0.278 245 S C -0.290 174.187 174.600 -0.204 0.000 1.333 245 S CA -0.621 57.494 58.200 -0.141 0.000 1.048 245 S CB 0.750 63.872 63.200 -0.130 0.000 0.900 245 S HN 0.491 nan 8.310 nan 0.000 0.505 246 K N 1.750 122.042 120.400 -0.181 0.000 2.185 246 K HA 0.593 4.913 4.320 -0.000 0.000 0.269 246 K C -0.834 175.596 176.600 -0.284 0.000 0.987 246 K CA -0.860 55.285 56.287 -0.236 0.000 0.865 246 K CB 1.809 34.189 32.500 -0.201 0.000 1.090 246 K HN 0.590 nan 8.250 nan 0.000 0.450 247 V N 3.051 122.746 119.914 -0.365 0.000 2.638 247 V HA 0.467 4.587 4.120 -0.000 0.000 0.306 247 V C -1.351 174.694 176.094 -0.081 0.000 1.052 247 V CA -0.869 61.270 62.300 -0.268 0.000 0.885 247 V CB 0.978 32.593 31.823 -0.348 0.000 0.999 247 V HN 0.565 nan 8.190 nan 0.000 0.424 248 F N 6.029 126.106 119.950 0.211 0.000 2.471 248 F HA 0.339 4.866 4.527 -0.000 0.000 0.365 248 F C 0.254 176.335 175.800 0.468 0.000 1.095 248 F CA 0.162 58.352 58.000 0.318 0.000 1.174 248 F CB 0.396 39.529 39.000 0.223 0.000 1.105 248 F HN 0.787 nan 8.300 nan 0.000 0.535 249 W N 6.330 127.976 121.300 0.577 0.000 2.190 249 W HA 0.339 4.999 4.660 -0.000 0.000 0.330 249 W C -0.350 176.427 176.519 0.431 0.000 1.299 249 W CA -0.046 57.615 57.345 0.527 0.000 1.215 249 W CB 0.260 30.090 29.460 0.617 0.000 1.147 249 W HN 0.653 nan 8.180 nan 0.000 0.563 250 H N 0.953 119.745 119.070 -0.463 0.000 2.946 250 H HA 0.421 4.977 4.556 -0.000 0.000 0.365 250 H C -0.903 173.524 175.328 -1.502 0.000 1.197 250 H CA -1.352 54.227 56.048 -0.781 0.000 1.131 250 H CB 0.678 30.321 29.762 -0.200 0.000 1.849 250 H HN 0.505 nan 8.280 nan 0.000 0.555 251 E N 0.143 119.844 120.200 -0.833 0.000 2.413 251 E HA 0.047 4.397 4.350 -0.000 0.000 0.263 251 E C -0.674 175.871 176.600 -0.091 0.000 1.015 251 E CA -0.120 56.014 56.400 -0.443 0.000 0.916 251 E CB 0.006 29.684 29.700 -0.038 0.000 0.947 251 E HN 0.820 nan 8.360 nan 0.000 0.440 252 N N 0.371 119.078 118.700 0.012 0.000 2.735 252 N HA -0.246 4.494 4.740 -0.000 0.000 0.248 252 N C -0.776 174.785 175.510 0.084 0.000 1.083 252 N CA 0.582 53.677 53.050 0.075 0.000 0.703 252 N CB -1.171 37.361 38.487 0.074 0.000 1.005 252 N HN 0.602 nan 8.380 nan 0.000 0.550 253 H N 1.061 120.057 119.070 -0.124 0.000 3.070 253 H HA 0.044 4.600 4.556 -0.000 0.000 0.313 253 H C 1.487 176.855 175.328 0.067 0.000 0.997 253 H CA 1.405 57.366 56.048 -0.146 0.000 1.438 253 H CB 0.833 30.417 29.762 -0.297 0.000 1.455 253 H HN 0.400 nan 8.280 nan 0.000 0.575 254 S N 3.356 119.108 115.700 0.087 0.000 2.383 254 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 254 S C 1.115 175.894 174.600 0.299 0.000 1.030 254 S CA 1.526 59.824 58.200 0.163 0.000 1.002 254 S CB 0.078 63.324 63.200 0.077 0.000 0.829 254 S HN 0.652 nan 8.310 nan 0.000 0.467 255 E N 0.749 121.281 120.200 0.552 0.000 2.423 255 E HA 0.385 4.735 4.350 -0.000 0.000 0.198 255 E C 1.097 178.014 176.600 0.528 0.000 1.038 255 E CA 0.179 56.872 56.400 0.488 0.000 1.011 255 E CB 0.322 30.287 29.700 0.442 0.000 1.118 255 E HN 0.611 nan 8.360 nan 0.000 0.451 256 G N 0.640 109.651 108.800 0.351 0.000 3.159 256 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.232 256 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.232 256 G C 0.412 175.282 174.900 -0.050 0.000 1.116 256 G CA -0.340 44.751 45.100 -0.015 0.000 0.767 256 G HN 0.322 nan 8.290 nan 0.000 0.547 257 N N -0.298 118.455 118.700 0.088 0.000 2.679 257 N HA 0.138 4.878 4.740 -0.000 0.000 0.302 257 N C -0.980 174.618 175.510 0.146 0.000 1.941 257 N CA -0.694 52.397 53.050 0.067 0.000 0.875 257 N CB 0.270 38.786 38.487 0.048 0.000 1.278 257 N HN -0.231 nan 8.380 nan 0.000 0.490 258 N N 2.230 121.073 118.700 0.238 0.000 2.420 258 N HA 0.217 4.957 4.740 -0.000 0.000 0.262 258 N C -0.384 175.293 175.510 0.278 0.000 1.144 258 N CA 0.241 53.458 53.050 0.279 0.000 0.952 258 N CB 0.729 39.461 38.487 0.407 0.000 1.081 258 N HN 0.660 nan 8.380 nan 0.000 0.480 259 M N -1.184 118.520 119.600 0.173 0.000 2.622 259 M HA 0.548 5.028 4.480 -0.000 0.000 0.276 259 M C -1.373 174.976 176.300 0.081 0.000 1.265 259 M CA -1.070 54.322 55.300 0.153 0.000 0.850 259 M CB 1.660 34.353 32.600 0.154 0.000 1.720 259 M HN -0.099 nan 8.290 nan 0.000 0.465 260 D N 1.875 122.316 120.400 0.069 0.000 2.361 260 D HA 0.345 4.985 4.640 -0.000 0.000 0.239 260 D C -0.114 176.209 176.300 0.038 0.000 1.200 260 D CA 0.128 54.150 54.000 0.037 0.000 0.915 260 D CB 1.024 41.842 40.800 0.031 0.000 1.170 260 D HN 0.601 nan 8.370 nan 0.000 0.444 272 Q N -1.072 118.814 119.800 0.143 0.000 2.234 272 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 272 Q C -0.414 175.705 176.000 0.199 0.000 0.980 272 Q CA 1.704 57.607 55.803 0.167 0.000 0.869 272 Q CB -0.349 28.477 28.738 0.147 0.000 0.912 272 Q HN 0.649 nan 8.270 nan 0.000 0.436 273 D N -0.163 120.348 120.400 0.185 0.000 2.325 273 D HA 0.027 4.667 4.640 -0.000 0.000 0.225 273 D C 0.930 177.344 176.300 0.190 0.000 1.096 273 D CA -0.146 53.958 54.000 0.172 0.000 0.844 273 D CB -0.077 40.806 40.800 0.138 0.000 0.925 273 D HN 0.206 nan 8.370 nan 0.000 0.513 274 F N 2.134 122.140 119.950 0.094 0.000 2.091 274 F HA -0.215 4.311 4.527 -0.000 0.000 0.299 274 F C 1.585 177.492 175.800 0.179 0.000 1.103 274 F CA 1.499 59.563 58.000 0.106 0.000 1.228 274 F CB 0.300 39.352 39.000 0.086 0.000 0.984 274 F HN -0.136 nan 8.300 nan 0.000 0.477 275 D N -0.746 119.843 120.400 0.315 0.000 2.340 275 D HA -0.000 4.640 4.640 -0.000 0.000 0.220 275 D C 1.812 178.321 176.300 0.348 0.000 1.039 275 D CA 0.382 54.538 54.000 0.260 0.000 0.866 275 D CB 0.299 41.278 40.800 0.298 0.000 0.913 275 D HN 0.315 nan 8.370 nan 0.000 0.523 276 M N -0.366 119.402 119.600 0.280 0.000 2.382 276 M HA 0.097 4.577 4.480 -0.000 0.000 0.247 276 M C 0.176 176.477 176.300 0.002 0.000 1.104 276 M CA -0.312 55.087 55.300 0.166 0.000 1.030 276 M CB -0.276 32.381 32.600 0.095 0.000 1.424 276 M HN -0.143 nan 8.290 nan 0.000 0.486 277 F N 1.793 121.685 119.950 -0.097 0.000 2.533 277 F HA 0.314 4.841 4.527 -0.000 0.000 0.378 277 F C 1.432 177.192 175.800 -0.068 0.000 1.070 277 F CA -0.508 57.377 58.000 -0.193 0.000 1.172 277 F CB 0.481 39.327 39.000 -0.257 0.000 1.085 277 F HN 0.223 nan 8.300 nan 0.000 0.552 278 A N 7.355 129.911 122.820 -0.440 0.000 1.929 278 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 278 A C -0.534 176.944 177.584 -0.177 0.000 1.211 278 A CA 2.109 53.992 52.037 -0.257 0.000 0.657 278 A CB -2.134 16.652 19.000 -0.356 0.000 0.827 278 A HN 0.692 nan 8.150 nan 0.000 0.462 279 P HA -0.026 nan 4.420 nan 0.000 0.234 279 P C 0.324 177.457 177.300 -0.279 0.000 1.167 279 P CA 0.796 63.665 63.100 -0.384 0.000 0.763 279 P CB -0.062 31.348 31.700 -0.483 0.000 0.835 280 N N -0.562 117.955 118.700 -0.304 0.000 2.276 280 N HA 0.208 4.948 4.740 -0.000 0.000 0.212 280 N C 0.818 175.861 175.510 -0.780 0.000 1.127 280 N CA 0.362 53.182 53.050 -0.384 0.000 0.834 280 N CB 0.716 38.965 38.487 -0.396 0.000 1.014 280 N HN 0.127 nan 8.380 nan 0.000 0.491 281 G N -0.038 108.158 108.800 -1.006 0.000 2.550 281 G HA2 0.526 4.486 3.960 -0.000 0.000 0.293 281 G HA3 0.526 4.486 3.960 -0.000 0.000 0.293 281 G C -1.685 172.474 174.900 -1.236 0.000 1.402 281 G CA -0.631 43.463 45.100 -1.676 0.000 0.784 281 G HN 0.158 nan 8.290 nan 0.000 0.482 282 E N -1.795 117.619 120.200 -1.310 0.000 2.432 282 E HA 0.424 4.774 4.350 -0.000 0.000 0.279 282 E C -1.426 174.824 176.600 -0.583 0.000 1.099 282 E CA -1.079 54.900 56.400 -0.702 0.000 0.859 282 E CB 1.005 30.585 29.700 -0.199 0.000 1.402 282 E HN 0.471 nan 8.360 nan 0.000 0.451 283 I N 1.977 122.426 120.570 -0.202 0.000 2.363 283 I HA 0.192 4.362 4.170 -0.000 0.000 0.292 283 I C -1.737 174.325 176.117 -0.092 0.000 1.075 283 I CA -1.742 59.503 61.300 -0.092 0.000 1.333 283 I CB 0.543 38.558 38.000 0.026 0.000 1.415 283 I HN 0.472 nan 8.210 nan 0.000 0.502 284 P HA -0.047 nan 4.420 nan 0.000 0.218 284 P C -0.495 176.776 177.300 -0.049 0.000 1.152 284 P CA 1.017 64.066 63.100 -0.086 0.000 0.826 284 P CB 0.128 31.769 31.700 -0.098 0.000 0.790 285 N N -3.513 115.168 118.700 -0.031 0.000 3.413 285 N HA 0.096 4.836 4.740 -0.000 0.000 0.273 285 N C -1.070 174.439 175.510 -0.001 0.000 1.458 285 N CA -0.757 52.284 53.050 -0.014 0.000 0.860 285 N CB -0.523 37.956 38.487 -0.015 0.000 1.556 285 N HN -0.378 nan 8.380 nan 0.000 0.475 286 N N -0.480 118.223 118.700 0.005 0.000 2.458 286 N HA 0.218 4.958 4.740 -0.000 0.000 0.274 286 N C -0.990 174.528 175.510 0.014 0.000 1.242 286 N CA -0.305 52.752 53.050 0.012 0.000 0.904 286 N CB -0.445 38.051 38.487 0.015 0.000 1.206 286 N HN 0.398 nan 8.380 nan 0.000 0.510 287 N N 0.728 119.435 118.700 0.013 0.000 2.503 287 N HA 0.209 4.949 4.740 -0.000 0.000 0.267 287 N C 0.301 175.824 175.510 0.022 0.000 1.214 287 N CA -0.121 52.940 53.050 0.017 0.000 0.959 287 N CB 1.279 39.776 38.487 0.017 0.000 1.142 287 N HN 0.146 nan 8.380 nan 0.000 0.455 288 L N 1.729 122.968 121.223 0.027 0.000 2.416 288 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 288 L C 0.181 177.075 176.870 0.039 0.000 1.161 288 L CA -0.461 54.399 54.840 0.033 0.000 0.845 288 L CB 0.178 42.260 42.059 0.038 0.000 1.119 288 L HN 0.208 nan 8.230 nan 0.000 0.464 289 L N 3.259 124.510 121.223 0.045 0.000 2.357 289 L HA 0.258 4.598 4.340 -0.000 0.000 0.273 289 L C 0.400 177.306 176.870 0.060 0.000 1.080 289 L CA 0.023 54.902 54.840 0.064 0.000 0.803 289 L CB 0.831 42.942 42.059 0.086 0.000 1.174 289 L HN 0.484 nan 8.230 nan 0.000 0.443 290 N N 2.557 121.288 118.700 0.052 0.000 2.416 290 N HA 0.117 4.856 4.740 -0.000 0.000 0.265 290 N C -0.736 174.793 175.510 0.031 0.000 1.195 290 N CA 0.466 53.535 53.050 0.032 0.000 0.943 290 N CB -0.146 38.349 38.487 0.013 0.000 1.115 290 N HN 0.590 nan 8.380 nan 0.000 0.481 291 N N 1.517 120.243 118.700 0.044 0.000 3.479 291 N HA 0.366 5.106 4.740 -0.000 0.000 0.336 291 N C -1.059 174.482 175.510 0.053 0.000 1.623 291 N CA -0.633 52.452 53.050 0.059 0.000 0.759 291 N CB 0.233 38.781 38.487 0.101 0.000 2.016 291 N HN 0.502 nan 8.380 nan 0.000 0.637 292 N N -0.834 117.907 118.700 0.069 0.000 2.689 292 N HA -0.178 4.562 4.740 -0.000 0.000 0.263 292 N C -0.736 174.800 175.510 0.043 0.000 0.987 292 N CA 0.420 53.507 53.050 0.062 0.000 0.782 292 N CB -0.674 37.854 38.487 0.068 0.000 0.903 292 N HN 0.192 nan 8.380 nan 0.000 0.547 293 S N -0.658 115.060 115.700 0.031 0.000 2.650 293 S HA 0.341 4.811 4.470 -0.000 0.000 0.240 293 S C 0.923 175.534 174.600 0.018 0.000 1.007 293 S CA -0.436 57.776 58.200 0.020 0.000 0.984 293 S CB 0.638 63.841 63.200 0.005 0.000 0.910 293 S HN 0.336 nan 8.310 nan 0.000 0.509 294 L N -0.006 121.228 121.223 0.018 0.000 3.383 294 L HA 0.416 4.755 4.340 -0.000 0.000 0.169 294 L C 0.267 177.140 176.870 0.005 0.000 1.161 294 L CA -0.091 54.752 54.840 0.005 0.000 0.847 294 L CB -0.239 41.815 42.059 -0.008 0.000 1.514 294 L HN 0.137 nan 8.230 nan 0.000 0.582 295 N N 1.270 119.981 118.700 0.018 0.000 2.738 295 N HA -0.143 4.597 4.740 -0.000 0.000 0.249 295 N C -0.661 174.856 175.510 0.012 0.000 1.047 295 N CA 0.587 53.657 53.050 0.033 0.000 0.707 295 N CB -0.387 38.127 38.487 0.044 0.000 0.937 295 N HN 0.257 nan 8.380 nan 0.000 0.545 296 V N -2.214 117.679 119.914 -0.034 0.000 3.103 296 V HA 0.676 4.796 4.120 -0.000 0.000 0.318 296 V C 0.592 176.676 176.094 -0.017 0.000 1.114 296 V CA -1.149 61.095 62.300 -0.093 0.000 1.020 296 V CB 2.114 33.684 31.823 -0.422 0.000 1.085 296 V HN -0.017 nan 8.190 nan 0.000 0.446 297 I N 2.564 123.142 120.570 0.013 0.000 2.337 297 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 297 I C 0.425 176.668 176.117 0.210 0.000 1.046 297 I CA -0.112 61.162 61.300 -0.044 0.000 1.324 297 I CB 0.757 38.487 38.000 -0.451 0.000 1.409 297 I HN 0.743 nan 8.210 nan 0.000 0.494 298 Q N 4.507 124.486 119.800 0.299 0.000 2.361 298 Q HA 0.062 4.402 4.340 -0.000 0.000 0.276 298 Q C -0.172 176.168 176.000 0.568 0.000 1.022 298 Q CA -0.136 55.900 55.803 0.388 0.000 0.898 298 Q CB 0.381 29.327 28.738 0.347 0.000 1.246 298 Q HN 0.339 nan 8.270 nan 0.000 0.410 299 N N 1.283 120.258 118.700 0.459 0.000 2.429 299 N HA 0.055 4.795 4.740 -0.000 0.000 0.271 299 N C -0.347 175.421 175.510 0.430 0.000 1.272 299 N CA 0.326 53.642 53.050 0.443 0.000 0.921 299 N CB 0.514 39.198 38.487 0.329 0.000 1.128 299 N HN 0.416 nan 8.380 nan 0.000 0.481 300 S N 0.408 116.330 115.700 0.369 0.000 2.671 300 S HA 0.193 4.663 4.470 -0.000 0.000 0.270 300 S C -1.633 172.889 174.600 -0.131 0.000 1.166 300 S CA -0.837 57.368 58.200 0.009 0.000 0.868 300 S CB 0.685 63.644 63.200 -0.401 0.000 1.190 300 S HN 0.575 nan 8.310 nan 0.000 0.494 301 E N 0.547 120.560 120.200 -0.312 0.000 2.229 301 E HA 0.495 4.845 4.350 -0.000 0.000 0.283 301 E C -1.681 174.664 176.600 -0.424 0.000 1.030 301 E CA -0.074 56.216 56.400 -0.183 0.000 0.836 301 E CB 0.486 30.146 29.700 -0.067 0.000 1.068 301 E HN 0.468 nan 8.360 nan 0.000 0.401 302 Y N 1.361 121.701 120.300 0.066 0.000 2.605 302 Y HA 0.285 4.835 4.550 -0.000 0.000 0.343 302 Y C -0.031 175.945 175.900 0.127 0.000 1.036 302 Y CA -0.934 57.199 58.100 0.055 0.000 1.065 302 Y CB 1.913 40.401 38.460 0.047 0.000 1.288 302 Y HN 0.406 nan 8.280 nan 0.000 0.481 303 Q N 1.566 121.540 119.800 0.291 0.000 2.306 303 Q HA 0.620 4.960 4.340 -0.000 0.000 0.265 303 Q C -1.349 174.792 176.000 0.235 0.000 1.022 303 Q CA -0.819 55.145 55.803 0.268 0.000 0.853 303 Q CB 2.665 31.519 28.738 0.193 0.000 1.327 303 Q HN 0.533 nan 8.270 nan 0.000 0.449 304 I N 2.380 123.069 120.570 0.199 0.000 2.354 304 I HA 0.323 4.493 4.170 -0.000 0.000 0.286 304 I C -0.433 175.855 176.117 0.284 0.000 1.007 304 I CA -0.469 60.905 61.300 0.122 0.000 1.167 304 I CB 0.887 38.733 38.000 -0.256 0.000 1.320 304 I HN 0.239 nan 8.210 nan 0.000 0.458 305 K N 4.855 125.488 120.400 0.388 0.000 2.221 305 K HA 0.348 4.668 4.320 -0.000 0.000 0.258 305 K C -0.473 176.371 176.600 0.407 0.000 0.944 305 K CA -0.929 55.579 56.287 0.367 0.000 0.823 305 K CB 1.921 34.566 32.500 0.242 0.000 1.113 305 K HN 0.475 nan 8.250 nan 0.000 0.431 306 N N 2.440 121.239 118.700 0.166 0.000 2.525 306 N HA -0.022 4.718 4.740 -0.000 0.000 0.271 306 N C 0.569 175.962 175.510 -0.196 0.000 1.194 306 N CA 0.287 53.134 53.050 -0.340 0.000 0.964 306 N CB 1.144 39.305 38.487 -0.544 0.000 1.126 306 N HN 0.578 nan 8.380 nan 0.000 0.452 307 K N 2.791 122.996 120.400 -0.324 0.000 2.103 307 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 307 K C 1.552 178.009 176.600 -0.238 0.000 1.052 307 K CA 1.032 57.160 56.287 -0.264 0.000 0.945 307 K CB 0.057 32.234 32.500 -0.538 0.000 0.722 307 K HN 0.493 nan 8.250 nan 0.000 0.443 308 K N 0.047 120.284 120.400 -0.273 0.000 2.147 308 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 308 K C -0.257 176.264 176.600 -0.132 0.000 1.049 308 K CA 1.222 57.389 56.287 -0.199 0.000 0.936 308 K CB 0.229 32.606 32.500 -0.205 0.000 0.722 308 K HN 0.031 nan 8.250 nan 0.000 0.446 309 D N -0.844 119.487 120.400 -0.116 0.000 2.365 309 D HA 0.139 4.779 4.640 -0.000 0.000 0.235 309 D C -0.267 176.021 176.300 -0.020 0.000 1.368 309 D CA -0.255 53.709 54.000 -0.060 0.000 1.001 309 D CB 0.834 41.601 40.800 -0.054 0.000 1.364 309 D HN -0.062 nan 8.370 nan 0.000 0.577 310 R N 1.539 122.044 120.500 0.008 0.000 2.285 310 R HA 0.019 4.359 4.340 -0.000 0.000 0.213 310 R C 1.046 177.386 176.300 0.066 0.000 1.068 310 R CA 0.465 56.598 56.100 0.055 0.000 1.004 310 R CB 0.219 30.559 30.300 0.068 0.000 0.873 310 R HN 0.300 nan 8.270 nan 0.000 0.467 311 N N 1.074 119.800 118.700 0.043 0.000 2.494 311 N HA -0.032 4.708 4.740 -0.000 0.000 0.182 311 N C 0.771 176.325 175.510 0.073 0.000 1.076 311 N CA 0.652 53.731 53.050 0.050 0.000 0.908 311 N CB 0.115 38.606 38.487 0.008 0.000 0.967 311 N HN 0.366 nan 8.380 nan 0.000 0.449 312 I N -1.348 119.272 120.570 0.083 0.000 2.460 312 I HA 0.538 4.708 4.170 -0.000 0.000 0.298 312 I C -0.127 176.107 176.117 0.195 0.000 0.989 312 I CA -1.072 60.304 61.300 0.127 0.000 1.173 312 I CB 1.886 39.936 38.000 0.084 0.000 1.338 312 I HN -0.296 nan 8.210 nan 0.000 0.456 313 V N 3.218 123.282 119.914 0.250 0.000 3.001 313 V HA 0.561 4.681 4.120 -0.000 0.000 0.314 313 V C 0.048 176.320 176.094 0.297 0.000 1.099 313 V CA -0.970 61.501 62.300 0.286 0.000 0.989 313 V CB 1.444 33.427 31.823 0.266 0.000 1.040 313 V HN 0.632 nan 8.190 nan 0.000 0.434 314 V N 2.564 122.626 119.914 0.246 0.000 2.493 314 V HA 0.418 4.538 4.120 -0.000 0.000 0.292 314 V C 0.718 177.075 176.094 0.438 0.000 1.016 314 V CA 1.300 63.689 62.300 0.149 0.000 1.097 314 V CB 0.395 32.026 31.823 -0.318 0.000 0.947 314 V HN 1.235 nan 8.190 nan 0.000 0.479 315 T N 5.626 120.397 114.554 0.363 0.000 2.921 315 T HA 0.523 4.873 4.350 -0.000 0.000 0.297 315 T C -1.059 173.775 174.700 0.223 0.000 1.013 315 T CA -0.739 61.539 62.100 0.297 0.000 0.990 315 T CB 1.348 70.328 68.868 0.186 0.000 1.023 315 T HN 0.436 nan 8.240 nan 0.000 0.447 316 L N 4.443 125.713 121.223 0.079 0.000 2.313 316 L HA 0.423 4.763 4.340 -0.000 0.000 0.282 316 L C 1.229 178.018 176.870 -0.136 0.000 1.092 316 L CA 0.288 55.117 54.840 -0.019 0.000 0.831 316 L CB 0.795 42.757 42.059 -0.162 0.000 1.159 316 L HN 0.914 nan 8.230 nan 0.000 0.442 317 D N 1.797 122.120 120.400 -0.128 0.000 2.104 317 D HA -0.109 4.531 4.640 -0.000 0.000 0.194 317 D C 0.682 176.834 176.300 -0.247 0.000 0.994 317 D CA 1.600 55.500 54.000 -0.168 0.000 0.830 317 D CB 0.464 41.196 40.800 -0.114 0.000 0.959 317 D HN 0.550 nan 8.370 nan 0.000 0.452 318 S N -1.979 113.512 115.700 -0.348 0.000 2.911 318 S HA 0.355 4.825 4.470 -0.000 0.000 0.319 318 S C -1.345 173.015 174.600 -0.400 0.000 1.154 318 S CA -0.155 57.809 58.200 -0.394 0.000 0.857 318 S CB 1.062 63.938 63.200 -0.540 0.000 1.279 318 S HN 0.242 nan 8.310 nan 0.000 0.593 319 D N 0.242 120.456 120.400 -0.310 0.000 2.593 319 D HA 0.206 4.846 4.640 -0.000 0.000 0.241 319 D C -0.309 175.943 176.300 -0.080 0.000 1.257 319 D CA -0.231 53.661 54.000 -0.180 0.000 0.828 319 D CB -0.557 40.186 40.800 -0.096 0.000 1.049 319 D HN 0.430 nan 8.370 nan 0.000 0.490 320 Y N -1.740 118.528 120.300 -0.054 0.000 2.549 320 Y HA 0.776 5.326 4.550 -0.000 0.000 0.339 320 Y C 0.707 176.572 175.900 -0.058 0.000 1.053 320 Y CA -2.199 55.876 58.100 -0.041 0.000 1.105 320 Y CB 0.544 38.984 38.460 -0.033 0.000 1.258 320 Y HN -0.090 nan 8.280 nan 0.000 0.478 321 G N 0.266 109.196 108.800 0.216 0.000 2.305 321 G HA2 0.372 4.332 3.960 -0.000 0.000 0.243 321 G HA3 0.372 4.332 3.960 -0.000 0.000 0.243 321 G C 0.919 175.849 174.900 0.051 0.000 1.288 321 G CA 0.107 45.273 45.100 0.108 0.000 0.901 321 G HN 1.973 nan 8.290 nan 0.000 0.516 322 G N 1.159 109.686 108.800 -0.455 0.000 2.162 322 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 322 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 322 G C 0.684 175.464 174.900 -0.199 0.000 0.976 322 G CA 0.408 45.187 45.100 -0.536 0.000 0.655 322 G HN 1.173 nan 8.290 nan 0.000 0.533 323 S N 2.893 118.443 115.700 -0.250 0.000 2.537 323 S HA 0.418 4.888 4.470 -0.000 0.000 0.286 323 S C -1.365 173.127 174.600 -0.180 0.000 1.299 323 S CA -0.262 57.744 58.200 -0.323 0.000 1.067 323 S CB 1.297 64.093 63.200 -0.674 0.000 0.864 323 S HN 0.458 nan 8.310 nan 0.000 0.494 324 P HA 0.120 nan 4.420 nan 0.000 0.269 324 P C -0.808 176.487 177.300 -0.008 0.000 1.215 324 P CA -0.303 62.788 63.100 -0.015 0.000 0.780 324 P CB 0.468 32.185 31.700 0.028 0.000 0.898 325 V N 3.288 123.218 119.914 0.026 0.000 2.370 325 V HA 0.265 4.385 4.120 -0.000 0.000 0.279 325 V C 0.540 176.668 176.094 0.056 0.000 1.029 325 V CA -0.055 62.277 62.300 0.052 0.000 0.870 325 V CB 0.714 32.541 31.823 0.008 0.000 0.984 325 V HN 0.553 nan 8.190 nan 0.000 0.451 326 E N 1.942 122.200 120.200 0.097 0.000 2.359 326 E HA 0.558 4.908 4.350 -0.000 0.000 0.266 326 E C -0.675 176.029 176.600 0.174 0.000 0.920 326 E CA -0.745 55.730 56.400 0.125 0.000 0.788 326 E CB 2.066 31.853 29.700 0.144 0.000 1.279 326 E HN 0.718 nan 8.360 nan 0.000 0.438 327 S N 0.707 116.515 115.700 0.180 0.000 2.545 327 S HA 0.420 4.890 4.470 -0.000 0.000 0.275 327 S C -0.899 173.856 174.600 0.258 0.000 1.299 327 S CA -0.446 57.882 58.200 0.213 0.000 1.048 327 S CB 0.422 63.719 63.200 0.161 0.000 0.938 327 S HN 0.543 nan 8.310 nan 0.000 0.496 328 Y N 0.800 121.193 120.300 0.154 0.000 2.562 328 Y HA 0.413 4.963 4.550 -0.000 0.000 0.345 328 Y C -0.187 175.834 175.900 0.202 0.000 1.045 328 Y CA -1.089 57.116 58.100 0.174 0.000 1.028 328 Y CB 1.629 40.199 38.460 0.183 0.000 1.297 328 Y HN 0.868 nan 8.280 nan 0.000 0.463 329 K N 3.444 123.956 120.400 0.186 0.000 2.491 329 K HA -0.061 4.259 4.320 -0.000 0.000 0.279 329 K C -0.319 176.506 176.600 0.374 0.000 1.026 329 K CA 0.031 56.444 56.287 0.211 0.000 1.070 329 K CB 0.209 32.778 32.500 0.114 0.000 0.887 329 K HN 0.650 nan 8.250 nan 0.000 0.481 330 N N 4.092 122.901 118.700 0.181 0.000 2.434 330 N HA -0.054 4.686 4.740 -0.000 0.000 0.268 330 N C -0.776 174.712 175.510 -0.037 0.000 1.256 330 N CA 0.451 53.599 53.050 0.163 0.000 0.914 330 N CB 0.028 38.582 38.487 0.112 0.000 1.088 330 N HN 0.497 nan 8.380 nan 0.000 0.478 331 F N 0.546 120.586 119.950 0.150 0.000 2.724 331 F HA 0.305 4.832 4.527 -0.000 0.000 0.310 331 F C 1.639 177.213 175.800 -0.376 0.000 1.107 331 F CA -0.125 57.798 58.000 -0.129 0.000 1.218 331 F CB 0.256 39.162 39.000 -0.156 0.000 1.042 331 F HN 0.610 nan 8.300 nan 0.000 0.540 332 G N 0.910 109.689 108.800 -0.036 0.000 2.273 332 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.280 332 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.280 332 G C 0.010 174.837 174.900 -0.122 0.000 1.047 332 G CA -0.319 44.744 45.100 -0.062 0.000 0.869 332 G HN 0.175 nan 8.290 nan 0.000 0.502 333 F N 0.069 120.035 119.950 0.026 0.000 2.450 333 F HA 0.362 4.889 4.527 -0.000 0.000 0.339 333 F C 1.811 177.556 175.800 -0.091 0.000 1.146 333 F CA -0.409 57.555 58.000 -0.061 0.000 1.267 333 F CB 0.648 39.599 39.000 -0.083 0.000 1.178 333 F HN 0.022 nan 8.300 nan 0.000 0.585 334 E N 1.352 121.598 120.200 0.077 0.000 2.118 334 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 334 E C 1.736 178.258 176.600 -0.129 0.000 0.992 334 E CA 1.458 57.832 56.400 -0.044 0.000 0.804 334 E CB -0.574 29.078 29.700 -0.080 0.000 0.741 334 E HN 0.623 nan 8.360 nan 0.000 0.458 335 N N 0.814 119.434 118.700 -0.134 0.000 2.609 335 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 335 N C 0.868 176.214 175.510 -0.274 0.000 1.157 335 N CA 0.592 53.480 53.050 -0.269 0.000 0.918 335 N CB -0.202 38.130 38.487 -0.259 0.000 0.978 335 N HN 0.236 nan 8.380 nan 0.000 0.448 336 Q N -0.555 119.182 119.800 -0.106 0.000 2.188 336 Q HA 0.247 4.587 4.340 -0.000 0.000 0.212 336 Q C -0.549 175.447 176.000 -0.006 0.000 0.846 336 Q CA -0.001 55.815 55.803 0.021 0.000 0.989 336 Q CB 0.554 29.403 28.738 0.185 0.000 1.114 336 Q HN 0.335 nan 8.270 nan 0.000 0.488 337 K N -0.028 120.229 120.400 -0.240 0.000 2.375 337 K HA 0.496 4.816 4.320 -0.000 0.000 0.249 337 K C -1.517 174.856 176.600 -0.378 0.000 0.942 337 K CA -0.556 55.661 56.287 -0.117 0.000 0.806 337 K CB 1.633 34.125 32.500 -0.012 0.000 1.227 337 K HN -0.086 nan 8.250 nan 0.000 0.430 338 W N 0.726 122.070 121.300 0.073 0.000 2.883 338 W HA 0.362 5.022 4.660 -0.000 0.000 0.335 338 W C -0.439 176.172 176.519 0.155 0.000 1.083 338 W CA -0.540 56.858 57.345 0.087 0.000 1.233 338 W CB 1.161 30.637 29.460 0.027 0.000 1.412 338 W HN 0.436 nan 8.180 nan 0.000 0.490 339 N N 2.658 121.596 118.700 0.397 0.000 2.408 339 N HA 0.414 5.154 4.740 -0.000 0.000 0.257 339 N C -0.736 175.063 175.510 0.482 0.000 1.064 339 N CA -0.376 52.898 53.050 0.373 0.000 0.952 339 N CB 0.830 39.480 38.487 0.271 0.000 1.093 339 N HN 0.197 nan 8.380 nan 0.000 0.490 340 I N 2.392 123.251 120.570 0.482 0.000 2.331 340 I HA 0.214 4.384 4.170 -0.000 0.000 0.292 340 I C 0.184 176.597 176.117 0.492 0.000 0.998 340 I CA -0.348 61.212 61.300 0.433 0.000 1.267 340 I CB 1.073 39.226 38.000 0.255 0.000 1.386 340 I HN 0.324 nan 8.210 nan 0.000 0.476 341 K N 6.442 127.158 120.400 0.526 0.000 2.463 341 K HA 0.298 4.618 4.320 -0.000 0.000 0.255 341 K C -1.494 175.406 176.600 0.500 0.000 0.942 341 K CA -0.675 55.908 56.287 0.494 0.000 0.814 341 K CB 1.742 34.536 32.500 0.491 0.000 1.122 341 K HN 0.409 nan 8.250 nan 0.000 0.425 342 Y N 2.866 123.318 120.300 0.253 0.000 2.299 342 Y HA 0.206 4.756 4.550 -0.000 0.000 0.326 342 Y C -0.435 175.452 175.900 -0.022 0.000 1.164 342 Y CA -0.437 57.612 58.100 -0.085 0.000 1.234 342 Y CB 1.030 39.407 38.460 -0.139 0.000 1.219 342 Y HN 0.548 nan 8.280 nan 0.000 0.497 343 D N 3.267 123.297 120.400 -0.616 0.000 2.381 343 D HA 0.187 4.827 4.640 -0.000 0.000 0.235 343 D C 0.162 175.853 176.300 -1.015 0.000 1.068 343 D CA -0.068 53.616 54.000 -0.527 0.000 0.832 343 D CB 1.917 42.639 40.800 -0.131 0.000 1.101 343 D HN 0.766 nan 8.370 nan 0.000 0.515 344 S N 3.244 118.512 115.700 -0.721 0.000 2.351 344 S HA -0.172 4.298 4.470 -0.000 0.000 0.220 344 S C 1.687 176.100 174.600 -0.310 0.000 1.035 344 S CA 1.154 59.053 58.200 -0.500 0.000 1.031 344 S CB 0.100 63.190 63.200 -0.183 0.000 0.928 344 S HN 0.541 nan 8.310 nan 0.000 0.433 345 K N 0.880 121.144 120.400 -0.227 0.000 2.152 345 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 345 K C 1.743 178.242 176.600 -0.168 0.000 1.048 345 K CA 1.178 57.372 56.287 -0.155 0.000 0.933 345 K CB -0.037 32.386 32.500 -0.128 0.000 0.721 345 K HN 0.274 nan 8.250 nan 0.000 0.447 346 K N -0.073 120.185 120.400 -0.236 0.000 2.353 346 K HA 0.049 4.369 4.320 -0.000 0.000 0.195 346 K C 0.100 176.608 176.600 -0.153 0.000 1.031 346 K CA -0.008 56.145 56.287 -0.225 0.000 1.079 346 K CB 0.299 32.581 32.500 -0.363 0.000 0.857 346 K HN 0.013 nan 8.250 nan 0.000 0.535 347 N N 1.117 119.709 118.700 -0.179 0.000 2.699 347 N HA -0.250 4.490 4.740 -0.000 0.000 0.256 347 N C -1.382 174.182 175.510 0.090 0.000 0.993 347 N CA 0.847 53.896 53.050 -0.001 0.000 0.759 347 N CB -0.889 37.658 38.487 0.100 0.000 0.906 347 N HN 0.388 nan 8.380 nan 0.000 0.541 348 A N 0.041 122.834 122.820 -0.044 0.000 2.588 348 A HA 0.756 5.076 4.320 -0.000 0.000 0.290 348 A C -1.583 176.078 177.584 0.129 0.000 1.136 348 A CA -0.686 51.456 52.037 0.175 0.000 0.681 348 A CB 1.087 20.218 19.000 0.218 0.000 1.282 348 A HN 0.218 nan 8.150 nan 0.000 0.421 349 Y N 0.153 120.714 120.300 0.435 0.000 2.512 349 Y HA 0.577 5.127 4.550 -0.000 0.000 0.348 349 Y C 0.191 176.231 175.900 0.233 0.000 0.990 349 Y CA -0.718 57.605 58.100 0.371 0.000 1.033 349 Y CB 2.288 40.944 38.460 0.327 0.000 1.259 349 Y HN 0.584 nan 8.280 nan 0.000 0.461 350 K N 2.819 123.351 120.400 0.220 0.000 2.123 350 K HA 0.681 5.001 4.320 -0.000 0.000 0.259 350 K C -1.244 175.355 176.600 -0.003 0.000 0.960 350 K CA -0.616 55.615 56.287 -0.093 0.000 0.872 350 K CB 1.637 33.886 32.500 -0.418 0.000 1.079 350 K HN 0.533 nan 8.250 nan 0.000 0.440 351 I N 3.348 123.830 120.570 -0.146 0.000 2.466 351 I HA 0.228 4.398 4.170 -0.000 0.000 0.279 351 I C -1.244 174.923 176.117 0.083 0.000 1.033 351 I CA -0.765 60.539 61.300 0.006 0.000 1.123 351 I CB 0.691 38.578 38.000 -0.188 0.000 1.237 351 I HN 0.461 nan 8.210 nan 0.000 0.460 352 Y N 4.334 124.843 120.300 0.349 0.000 2.330 352 Y HA 0.272 4.822 4.550 -0.000 0.000 0.336 352 Y C 0.839 176.906 175.900 0.279 0.000 1.036 352 Y CA -0.485 57.789 58.100 0.291 0.000 1.125 352 Y CB 0.887 39.444 38.460 0.161 0.000 1.194 352 Y HN 0.513 nan 8.280 nan 0.000 0.469 353 N N 2.648 121.460 118.700 0.187 0.000 2.492 353 N HA -0.010 4.730 4.740 -0.000 0.000 0.260 353 N C 0.909 176.286 175.510 -0.222 0.000 1.215 353 N CA -0.032 52.748 53.050 -0.450 0.000 0.923 353 N CB 0.716 38.816 38.487 -0.644 0.000 1.092 353 N HN 0.741 nan 8.380 nan 0.000 0.448 354 R N 2.039 122.349 120.500 -0.316 0.000 2.075 354 R HA -0.123 4.217 4.340 -0.000 0.000 0.226 354 R C 1.536 177.745 176.300 -0.151 0.000 1.114 354 R CA 1.011 57.016 56.100 -0.159 0.000 0.972 354 R CB -0.352 29.873 30.300 -0.126 0.000 0.869 354 R HN 0.720 nan 8.270 nan 0.000 0.437 355 E N 0.396 120.472 120.200 -0.207 0.000 2.077 355 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 355 E C -0.224 176.295 176.600 -0.134 0.000 0.989 355 E CA 1.257 57.558 56.400 -0.165 0.000 0.800 355 E CB 0.213 29.797 29.700 -0.194 0.000 0.746 355 E HN 0.007 nan 8.360 nan 0.000 0.452 356 T N 1.833 116.298 114.554 -0.148 0.000 3.327 356 T HA 0.242 4.592 4.350 -0.000 0.000 0.373 356 T C -2.361 172.316 174.700 -0.038 0.000 1.589 356 T CA -1.282 60.764 62.100 -0.090 0.000 1.497 356 T CB 1.410 70.217 68.868 -0.101 0.000 1.032 356 T HN 0.035 nan 8.240 nan 0.000 0.640 357 P HA -0.124 nan 4.420 nan 0.000 0.219 357 P C 1.792 179.173 177.300 0.135 0.000 1.146 357 P CA 1.071 64.200 63.100 0.047 0.000 0.808 357 P CB -0.214 31.476 31.700 -0.016 0.000 0.779 358 T N -4.052 110.558 114.554 0.093 0.000 3.163 358 T HA 0.048 4.398 4.350 -0.000 0.000 0.260 358 T C 0.584 175.381 174.700 0.162 0.000 1.156 358 T CA 0.359 62.538 62.100 0.131 0.000 1.072 358 T CB -0.692 68.224 68.868 0.080 0.000 0.937 358 T HN 0.000 nan 8.240 nan 0.000 0.528 359 L N 1.579 122.889 121.223 0.146 0.000 2.296 359 L HA 0.543 4.883 4.340 -0.000 0.000 0.286 359 L C -0.930 176.047 176.870 0.177 0.000 1.023 359 L CA -1.220 53.695 54.840 0.125 0.000 0.812 359 L CB 1.631 43.714 42.059 0.039 0.000 1.223 359 L HN 0.078 nan 8.230 nan 0.000 0.421 360 L N 3.935 125.243 121.223 0.142 0.000 2.325 360 L HA 0.408 4.748 4.340 -0.000 0.000 0.278 360 L C -0.082 176.876 176.870 0.147 0.000 1.023 360 L CA -0.283 54.598 54.840 0.069 0.000 0.811 360 L CB 1.593 43.585 42.059 -0.111 0.000 1.249 360 L HN 0.438 nan 8.230 nan 0.000 0.431 361 L N 2.620 123.911 121.223 0.113 0.000 2.597 361 L HA 0.175 4.515 4.340 -0.000 0.000 0.271 361 L C -0.291 176.724 176.870 0.242 0.000 1.157 361 L CA 0.750 55.574 54.840 -0.027 0.000 0.928 361 L CB -0.086 41.633 42.059 -0.567 0.000 1.216 361 L HN 0.720 nan 8.230 nan 0.000 0.481 362 S N 3.863 119.745 115.700 0.302 0.000 2.548 362 S HA 0.444 4.914 4.470 -0.000 0.000 0.286 362 S C -1.675 173.239 174.600 0.523 0.000 1.098 362 S CA -0.513 57.941 58.200 0.424 0.000 0.930 362 S CB 1.539 64.975 63.200 0.393 0.000 1.070 362 S HN 0.620 nan 8.310 nan 0.000 0.480 363 W N 3.852 125.318 121.300 0.276 0.000 2.411 363 W HA 0.499 5.159 4.660 -0.000 0.000 0.317 363 W C -0.562 176.020 176.519 0.104 0.000 1.030 363 W CA -0.899 56.566 57.345 0.199 0.000 1.239 363 W CB 0.550 30.118 29.460 0.180 0.000 1.304 363 W HN 0.600 nan 8.180 nan 0.000 0.437 364 N N 3.384 121.922 118.700 -0.271 0.000 2.549 364 N HA -0.042 4.698 4.740 -0.000 0.000 0.267 364 N C 1.175 176.147 175.510 -0.897 0.000 1.182 364 N CA 0.802 53.581 53.050 -0.451 0.000 1.019 364 N CB 0.585 38.944 38.487 -0.213 0.000 1.380 364 N HN 0.400 nan 8.380 nan 0.000 0.505 365 S N 1.890 116.901 115.700 -1.148 0.000 2.547 365 S HA -0.004 4.466 4.470 -0.000 0.000 0.235 365 S C 0.780 175.050 174.600 -0.550 0.000 0.980 365 S CA 0.329 57.793 58.200 -1.226 0.000 0.941 365 S CB -0.064 62.516 63.200 -1.033 0.000 0.763 365 S HN 0.475 nan 8.310 nan 0.000 0.532 366 N N 2.233 120.691 118.700 -0.403 0.000 2.235 366 N HA 0.119 4.859 4.740 -0.000 0.000 0.209 366 N C -0.134 175.265 175.510 -0.186 0.000 1.122 366 N CA 0.309 53.214 53.050 -0.242 0.000 0.845 366 N CB 0.784 39.150 38.487 -0.202 0.000 1.004 366 N HN 0.629 nan 8.380 nan 0.000 0.499 367 S N 0.352 115.931 115.700 -0.200 0.000 2.548 367 S HA 0.305 4.775 4.470 -0.000 0.000 0.277 367 S C 0.764 175.327 174.600 -0.062 0.000 1.315 367 S CA -0.785 57.349 58.200 -0.111 0.000 1.050 367 S CB 1.319 64.470 63.200 -0.082 0.000 0.918 367 S HN 0.221 nan 8.310 nan 0.000 0.497 368 S N 2.501 118.181 115.700 -0.034 0.000 2.600 368 S HA 0.361 4.831 4.470 -0.000 0.000 0.265 368 S C 0.545 175.153 174.600 0.012 0.000 1.325 368 S CA -0.272 57.923 58.200 -0.009 0.000 1.002 368 S CB -0.115 63.082 63.200 -0.005 0.000 0.921 368 S HN 0.943 nan 8.310 nan 0.000 0.554 369 N N -0.023 118.693 118.700 0.026 0.000 2.924 369 N HA -0.160 4.580 4.740 -0.000 0.000 0.210 369 N C 0.843 176.392 175.510 0.065 0.000 0.902 369 N CA 1.907 54.984 53.050 0.045 0.000 1.061 369 N CB -1.885 36.633 38.487 0.052 0.000 0.985 369 N HN 1.915 nan 8.380 nan 0.000 0.600 370 G N 1.577 110.412 108.800 0.059 0.000 2.356 370 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.296 370 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.296 370 G C 0.025 175.030 174.900 0.175 0.000 1.022 370 G CA 1.102 46.260 45.100 0.097 0.000 0.961 370 G HN 0.981 nan 8.290 nan 0.000 0.510 371 E N -0.867 119.429 120.200 0.161 0.000 2.467 371 E HA 0.202 4.552 4.350 -0.000 0.000 0.264 371 E C 0.681 177.548 176.600 0.445 0.000 1.020 371 E CA 0.018 56.556 56.400 0.229 0.000 0.945 371 E CB 0.640 30.451 29.700 0.185 0.000 0.942 371 E HN 0.289 nan 8.360 nan 0.000 0.449 372 Q N 1.328 121.339 119.800 0.351 0.000 2.247 372 Q HA 0.104 4.444 4.340 -0.000 0.000 0.211 372 Q C 0.620 176.762 176.000 0.237 0.000 0.861 372 Q CA 0.121 56.110 55.803 0.309 0.000 0.949 372 Q CB 0.693 29.500 28.738 0.114 0.000 1.115 372 Q HN 0.634 nan 8.270 nan 0.000 0.507 373 V N -1.102 118.980 119.914 0.280 0.000 3.051 373 V HA 0.276 4.395 4.120 -0.000 0.000 0.306 373 V C 0.390 176.668 176.094 0.307 0.000 1.083 373 V CA -0.664 61.769 62.300 0.222 0.000 1.104 373 V CB 0.755 32.679 31.823 0.168 0.000 1.027 373 V HN -0.071 nan 8.190 nan 0.000 0.483 374 I N 3.598 124.288 120.570 0.201 0.000 2.428 374 I HA 0.640 4.810 4.170 -0.000 0.000 0.296 374 I C 0.476 176.674 176.117 0.134 0.000 0.985 374 I CA -0.169 61.250 61.300 0.199 0.000 1.260 374 I CB 1.247 39.277 38.000 0.049 0.000 1.389 374 I HN 0.878 nan 8.210 nan 0.000 0.484 375 R N 2.794 123.379 120.500 0.142 0.000 2.855 375 R HA 0.691 5.031 4.340 -0.000 0.000 0.266 375 R C -0.246 176.028 176.300 -0.044 0.000 1.034 375 R CA -1.059 55.032 56.100 -0.015 0.000 0.944 375 R CB 1.563 31.773 30.300 -0.151 0.000 1.219 375 R HN 0.750 nan 8.270 nan 0.000 0.474 376 G N 1.019 109.717 108.800 -0.169 0.000 2.347 376 G HA2 0.504 4.464 3.960 -0.000 0.000 0.314 376 G HA3 0.504 4.464 3.960 -0.000 0.000 0.314 376 G C -1.317 173.431 174.900 -0.254 0.000 1.126 376 G CA -0.052 44.994 45.100 -0.090 0.000 0.929 376 G HN 0.278 nan 8.290 nan 0.000 0.441 377 Y N 0.483 120.831 120.300 0.079 0.000 2.562 377 Y HA 0.511 5.061 4.550 -0.000 0.000 0.343 377 Y C 1.204 177.142 175.900 0.062 0.000 1.025 377 Y CA -0.801 57.338 58.100 0.064 0.000 1.082 377 Y CB 1.908 40.398 38.460 0.050 0.000 1.264 377 Y HN 0.645 nan 8.280 nan 0.000 0.478 378 T N -1.655 113.052 114.554 0.255 0.000 2.856 378 T HA 0.082 4.432 4.350 -0.000 0.000 0.306 378 T C 0.038 174.822 174.700 0.141 0.000 1.062 378 T CA -0.847 61.355 62.100 0.170 0.000 1.083 378 T CB 0.519 69.469 68.868 0.136 0.000 0.984 378 T HN 0.604 nan 8.240 nan 0.000 0.542 379 E N 0.932 121.209 120.200 0.127 0.000 2.752 379 E HA 0.009 4.359 4.350 -0.000 0.000 0.241 379 E C 1.007 177.650 176.600 0.071 0.000 1.016 379 E CA 0.405 56.864 56.400 0.098 0.000 0.952 379 E CB 0.014 29.794 29.700 0.134 0.000 0.921 379 E HN 0.762 nan 8.360 nan 0.000 0.515 380 S N 2.936 118.664 115.700 0.046 0.000 2.497 380 S HA 0.264 4.734 4.470 -0.000 0.000 0.221 380 S C 1.566 176.184 174.600 0.030 0.000 1.037 380 S CA 0.242 58.455 58.200 0.020 0.000 0.920 380 S CB 0.582 63.766 63.200 -0.027 0.000 0.800 380 S HN 0.923 nan 8.310 nan 0.000 0.505 381 G N 0.944 109.782 108.800 0.063 0.000 2.218 381 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 381 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 381 G C 0.171 175.133 174.900 0.104 0.000 0.994 381 G CA 0.151 45.303 45.100 0.087 0.000 0.637 381 G HN 0.912 nan 8.290 nan 0.000 0.505 382 S N 0.154 115.898 115.700 0.073 0.000 2.592 382 S HA 0.458 4.928 4.470 -0.000 0.000 0.271 382 S C 1.469 176.155 174.600 0.144 0.000 1.326 382 S CA 0.334 58.563 58.200 0.049 0.000 1.024 382 S CB 0.676 63.862 63.200 -0.023 0.000 0.921 382 S HN 0.231 nan 8.310 nan 0.000 0.527 383 N N 2.659 121.403 118.700 0.074 0.000 2.512 383 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 383 N C 1.102 176.643 175.510 0.053 0.000 1.073 383 N CA 0.750 53.859 53.050 0.099 0.000 0.911 383 N CB -0.589 37.870 38.487 -0.048 0.000 0.964 383 N HN 0.808 nan 8.380 nan 0.000 0.447 384 N N 0.452 119.139 118.700 -0.023 0.000 2.571 384 N HA -0.122 4.618 4.740 -0.000 0.000 0.189 384 N C 0.569 175.991 175.510 -0.146 0.000 1.154 384 N CA 0.736 53.729 53.050 -0.096 0.000 0.907 384 N CB -0.246 38.158 38.487 -0.138 0.000 0.977 384 N HN 0.303 nan 8.380 nan 0.000 0.449 385 Q N -1.085 118.661 119.800 -0.091 0.000 2.188 385 Q HA 0.200 4.540 4.340 -0.000 0.000 0.212 385 Q C -0.904 174.924 176.000 -0.288 0.000 0.846 385 Q CA -0.211 55.523 55.803 -0.115 0.000 0.989 385 Q CB 0.260 28.947 28.738 -0.086 0.000 1.114 385 Q HN 0.394 nan 8.270 nan 0.000 0.488 386 Y N -0.621 119.485 120.300 -0.323 0.000 2.446 386 Y HA 0.423 4.973 4.550 -0.000 0.000 0.338 386 Y C -0.803 174.819 175.900 -0.464 0.000 1.055 386 Y CA -0.867 57.116 58.100 -0.195 0.000 1.101 386 Y CB 1.244 39.652 38.460 -0.086 0.000 1.221 386 Y HN 0.016 nan 8.280 nan 0.000 0.460 387 W N 1.124 122.621 121.300 0.328 0.000 2.957 387 W HA 0.486 5.146 4.660 -0.000 0.000 0.336 387 W C -0.747 175.981 176.519 0.349 0.000 1.087 387 W CA -1.029 56.491 57.345 0.292 0.000 1.235 387 W CB 1.776 31.407 29.460 0.285 0.000 1.399 387 W HN 0.441 nan 8.180 nan 0.000 0.480 388 T N 0.368 115.190 114.554 0.447 0.000 2.889 388 T HA 0.725 5.075 4.350 -0.000 0.000 0.291 388 T C -0.485 174.365 174.700 0.250 0.000 0.995 388 T CA -0.452 61.875 62.100 0.378 0.000 1.092 388 T CB 1.051 70.066 68.868 0.245 0.000 0.954 388 T HN 0.345 nan 8.240 nan 0.000 0.506 389 I N 2.254 122.919 120.570 0.159 0.000 2.420 389 I HA 0.329 4.499 4.170 -0.000 0.000 0.282 389 I C -0.171 175.949 176.117 0.005 0.000 1.019 389 I CA -0.681 60.508 61.300 -0.185 0.000 1.130 389 I CB 1.437 39.060 38.000 -0.627 0.000 1.262 389 I HN 0.709 nan 8.210 nan 0.000 0.454 390 E N 5.808 126.025 120.200 0.029 0.000 2.171 390 E HA 0.370 4.720 4.350 -0.000 0.000 0.271 390 E C -0.759 175.863 176.600 0.036 0.000 0.916 390 E CA -0.913 55.527 56.400 0.067 0.000 0.774 390 E CB 2.594 32.330 29.700 0.059 0.000 1.128 390 E HN 0.337 nan 8.360 nan 0.000 0.403 391 K N 2.659 123.035 120.400 -0.039 0.000 2.205 391 K HA 0.143 4.463 4.320 -0.000 0.000 0.279 391 K C -0.223 176.286 176.600 -0.151 0.000 1.027 391 K CA -0.551 55.558 56.287 -0.297 0.000 0.932 391 K CB 0.530 32.783 32.500 -0.410 0.000 1.032 391 K HN 0.491 nan 8.250 nan 0.000 0.466 392 N N 1.385 120.002 118.700 -0.137 0.000 2.491 392 N HA 0.028 4.768 4.740 -0.000 0.000 0.279 392 N C 0.968 176.453 175.510 -0.042 0.000 1.236 392 N CA -0.639 52.383 53.050 -0.047 0.000 0.982 392 N CB 0.094 38.584 38.487 0.005 0.000 1.194 392 N HN 0.169 nan 8.380 nan 0.000 0.582 393 V N 0.456 120.364 119.914 -0.010 0.000 2.313 393 V HA -0.345 3.775 4.120 -0.000 0.000 0.253 393 V C 1.135 177.230 176.094 0.002 0.000 1.070 393 V CA 2.513 64.811 62.300 -0.004 0.000 1.057 393 V CB -1.223 30.605 31.823 0.007 0.000 0.653 393 V HN 0.730 nan 8.190 nan 0.000 0.450 394 N N -0.326 118.404 118.700 0.050 0.000 2.412 394 N HA 0.293 5.033 4.740 -0.000 0.000 0.184 394 N C 1.160 176.657 175.510 -0.022 0.000 1.101 394 N CA 0.812 53.919 53.050 0.096 0.000 0.881 394 N CB 0.557 39.199 38.487 0.259 0.000 0.969 394 N HN 0.538 nan 8.380 nan 0.000 0.459 395 G N -0.594 108.133 108.800 -0.120 0.000 2.130 395 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 395 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 395 G C -0.291 174.259 174.900 -0.583 0.000 0.999 395 G CA -0.451 44.440 45.100 -0.349 0.000 0.686 395 G HN 0.226 nan 8.290 nan 0.000 0.515 396 F N -0.725 119.067 119.950 -0.263 0.000 2.450 396 F HA 0.784 5.311 4.527 -0.000 0.000 0.328 396 F C 0.520 176.105 175.800 -0.359 0.000 1.068 396 F CA -1.145 56.733 58.000 -0.204 0.000 1.007 396 F CB 0.977 39.942 39.000 -0.059 0.000 1.251 396 F HN 0.020 nan 8.300 nan 0.000 0.492 397 Y N 0.871 121.299 120.300 0.213 0.000 2.377 397 Y HA 0.439 4.989 4.550 -0.000 0.000 0.339 397 Y C -0.255 175.719 175.900 0.123 0.000 1.011 397 Y CA -1.098 57.024 58.100 0.037 0.000 1.093 397 Y CB 1.327 39.683 38.460 -0.172 0.000 1.201 397 Y HN 0.204 nan 8.280 nan 0.000 0.455 398 K N 3.579 124.073 120.400 0.158 0.000 2.182 398 K HA 0.425 4.745 4.320 -0.000 0.000 0.262 398 K C -1.496 175.127 176.600 0.039 0.000 0.957 398 K CA -0.637 55.777 56.287 0.211 0.000 0.842 398 K CB 1.664 34.261 32.500 0.162 0.000 1.099 398 K HN 0.507 nan 8.250 nan 0.000 0.438 399 F N 2.944 122.976 119.950 0.136 0.000 2.404 399 F HA 0.353 4.880 4.527 -0.000 0.000 0.354 399 F C 0.885 176.833 175.800 0.247 0.000 1.122 399 F CA -0.789 57.266 58.000 0.093 0.000 1.080 399 F CB 1.289 40.143 39.000 -0.243 0.000 1.131 399 F HN 0.304 nan 8.300 nan 0.000 0.471 400 R N 2.958 123.742 120.500 0.474 0.000 2.561 400 R HA 0.360 4.700 4.340 -0.000 0.000 0.297 400 R C -1.030 175.487 176.300 0.361 0.000 0.969 400 R CA -0.851 55.484 56.100 0.393 0.000 0.879 400 R CB 1.398 31.823 30.300 0.208 0.000 1.178 400 R HN 0.606 nan 8.270 nan 0.000 0.445 401 N N 2.743 121.527 118.700 0.141 0.000 2.458 401 N HA -0.069 4.671 4.740 -0.000 0.000 0.258 401 N C 0.751 176.190 175.510 -0.119 0.000 1.219 401 N CA -0.106 52.744 53.050 -0.335 0.000 0.902 401 N CB 0.949 39.192 38.487 -0.406 0.000 1.076 401 N HN 0.642 nan 8.380 nan 0.000 0.455 402 L N 4.454 125.585 121.223 -0.153 0.000 2.093 402 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 402 L C 2.525 179.381 176.870 -0.024 0.000 1.085 402 L CA 1.832 56.650 54.840 -0.037 0.000 0.755 402 L CB -0.826 41.223 42.059 -0.017 0.000 0.904 402 L HN 0.781 nan 8.230 nan 0.000 0.435 403 S N -2.033 113.655 115.700 -0.020 0.000 2.423 403 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 403 S C 0.878 175.525 174.600 0.079 0.000 1.014 403 S CA 0.806 59.019 58.200 0.021 0.000 0.965 403 S CB -0.257 62.951 63.200 0.014 0.000 0.785 403 S HN 0.555 nan 8.310 nan 0.000 0.495 404 D N 1.177 121.647 120.400 0.116 0.000 2.328 404 D HA 0.300 4.940 4.640 -0.000 0.000 0.243 404 D C -2.496 173.837 176.300 0.055 0.000 1.324 404 D CA -1.872 52.198 54.000 0.118 0.000 0.966 404 D CB 1.881 42.821 40.800 0.233 0.000 1.324 404 D HN 0.022 nan 8.370 nan 0.000 0.549 405 P HA -0.089 nan 4.420 nan 0.000 0.234 405 P C 1.144 178.472 177.300 0.046 0.000 1.167 405 P CA 0.519 63.649 63.100 0.050 0.000 0.763 405 P CB 0.129 31.859 31.700 0.051 0.000 0.835 406 S N -1.734 113.984 115.700 0.030 0.000 2.522 406 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 406 S C 0.969 175.564 174.600 -0.009 0.000 0.986 406 S CA 0.239 58.450 58.200 0.018 0.000 0.929 406 S CB -0.580 62.631 63.200 0.018 0.000 0.769 406 S HN -0.085 nan 8.310 nan 0.000 0.529 407 K N 1.756 122.129 120.400 -0.045 0.000 2.264 407 K HA 0.492 4.812 4.320 -0.000 0.000 0.277 407 K C -0.925 175.673 176.600 -0.003 0.000 1.067 407 K CA -0.281 55.926 56.287 -0.134 0.000 0.900 407 K CB 0.955 33.198 32.500 -0.428 0.000 1.124 407 K HN 0.334 nan 8.250 nan 0.000 0.469 408 I N 2.879 123.470 120.570 0.035 0.000 2.412 408 I HA 0.170 4.340 4.170 -0.000 0.000 0.296 408 I C 0.060 176.264 176.117 0.146 0.000 0.987 408 I CA -1.182 60.204 61.300 0.143 0.000 1.180 408 I CB 1.289 39.366 38.000 0.129 0.000 1.340 408 I HN 0.261 nan 8.210 nan 0.000 0.455 409 L N 6.235 127.581 121.223 0.204 0.000 2.462 409 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 409 L C -0.488 176.562 176.870 0.299 0.000 1.166 409 L CA 1.194 56.079 54.840 0.075 0.000 0.880 409 L CB -0.144 41.736 42.059 -0.297 0.000 1.142 409 L HN 0.569 nan 8.230 nan 0.000 0.473 410 D N 3.119 123.658 120.400 0.232 0.000 2.615 410 D HA 0.433 5.073 4.640 -0.000 0.000 0.267 410 D C -1.411 175.007 176.300 0.197 0.000 1.236 410 D CA -0.398 53.739 54.000 0.229 0.000 0.839 410 D CB 1.337 42.194 40.800 0.095 0.000 1.380 410 D HN 0.392 nan 8.370 nan 0.000 0.433 411 L N 1.337 122.621 121.223 0.103 0.000 2.309 411 L HA 0.413 4.753 4.340 -0.000 0.000 0.282 411 L C 0.723 177.612 176.870 0.032 0.000 1.036 411 L CA -0.830 54.052 54.840 0.069 0.000 0.806 411 L CB 1.259 43.325 42.059 0.011 0.000 1.220 411 L HN 0.255 nan 8.230 nan 0.000 0.429 412 K N 3.132 123.555 120.400 0.039 0.000 2.491 412 K HA -0.102 4.218 4.320 -0.000 0.000 0.279 412 K C -0.015 176.592 176.600 0.012 0.000 1.026 412 K CA 0.289 56.593 56.287 0.028 0.000 1.070 412 K CB 0.203 32.725 32.500 0.037 0.000 0.887 412 K HN 0.661 nan 8.250 nan 0.000 0.481 413 D N 2.887 123.291 120.400 0.006 0.000 3.067 413 D HA -0.218 4.422 4.640 -0.000 0.000 0.216 413 D C 0.609 176.898 176.300 -0.018 0.000 1.162 413 D CA 1.624 55.622 54.000 -0.004 0.000 0.960 413 D CB -1.282 39.518 40.800 -0.000 0.000 1.129 413 D HN 1.039 nan 8.370 nan 0.000 0.408 414 G N 0.087 108.872 108.800 -0.025 0.000 2.176 414 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.252 414 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.252 414 G C -0.032 174.838 174.900 -0.051 0.000 1.024 414 G CA 0.386 45.456 45.100 -0.050 0.000 0.755 414 G HN 0.551 nan 8.290 nan 0.000 0.507 415 N N 0.030 118.711 118.700 -0.031 0.000 2.514 415 N HA 0.473 5.213 4.740 -0.000 0.000 0.277 415 N C 1.414 176.905 175.510 -0.032 0.000 1.126 415 N CA 0.296 53.329 53.050 -0.028 0.000 0.978 415 N CB 0.819 39.299 38.487 -0.012 0.000 1.106 415 N HN 0.300 nan 8.380 nan 0.000 0.461 416 T N -1.044 113.487 114.554 -0.039 0.000 3.054 416 T HA 0.126 4.476 4.350 -0.000 0.000 0.255 416 T C 0.706 175.387 174.700 -0.033 0.000 1.035 416 T CA -0.349 61.727 62.100 -0.040 0.000 0.941 416 T CB 0.203 69.037 68.868 -0.056 0.000 1.026 416 T HN 0.178 nan 8.240 nan 0.000 0.533 417 L N 3.031 124.235 121.223 -0.032 0.000 2.529 417 L HA 0.164 4.504 4.340 -0.000 0.000 0.287 417 L C 0.548 177.386 176.870 -0.053 0.000 1.241 417 L CA 0.457 55.272 54.840 -0.040 0.000 0.857 417 L CB -0.587 41.456 42.059 -0.027 0.000 1.113 417 L HN 0.424 nan 8.230 nan 0.000 0.504 418 N N 3.735 122.368 118.700 -0.112 0.000 2.407 418 N HA -0.029 4.711 4.740 -0.000 0.000 0.250 418 N C 0.529 176.001 175.510 -0.065 0.000 1.236 418 N CA 0.198 53.123 53.050 -0.208 0.000 0.879 418 N CB 0.294 38.503 38.487 -0.463 0.000 1.088 418 N HN 0.436 nan 8.380 nan 0.000 0.450 419 K N -1.545 118.880 120.400 0.042 0.000 3.547 419 K HA -0.188 4.132 4.320 -0.000 0.000 0.309 419 K C -0.303 176.351 176.600 0.090 0.000 1.324 419 K CA 1.032 57.398 56.287 0.132 0.000 0.988 419 K CB -1.696 30.882 32.500 0.131 0.000 1.261 419 K HN 0.834 nan 8.250 nan 0.000 0.444 420 T N 0.814 115.405 114.554 0.062 0.000 2.817 420 T HA 0.323 4.673 4.350 -0.000 0.000 0.295 420 T C -2.380 172.363 174.700 0.073 0.000 0.958 420 T CA -1.366 60.767 62.100 0.055 0.000 1.157 420 T CB 0.897 69.785 68.868 0.034 0.000 0.898 420 T HN -0.150 nan 8.240 nan 0.000 0.536 421 P HA 0.180 nan 4.420 nan 0.000 0.266 421 P C -0.281 177.063 177.300 0.073 0.000 1.195 421 P CA -0.610 62.534 63.100 0.073 0.000 0.768 421 P CB 0.328 32.071 31.700 0.071 0.000 0.838 422 L N 3.752 125.014 121.223 0.065 0.000 2.410 422 L HA 0.206 4.546 4.340 -0.000 0.000 0.273 422 L C 0.591 177.487 176.870 0.043 0.000 1.152 422 L CA 0.486 55.354 54.840 0.047 0.000 0.855 422 L CB 0.384 42.418 42.059 -0.043 0.000 1.129 422 L HN 0.228 nan 8.230 nan 0.000 0.463 423 V N 2.034 121.975 119.914 0.044 0.000 3.155 423 V HA 0.716 4.836 4.120 -0.000 0.000 0.313 423 V C -0.604 175.481 176.094 -0.015 0.000 1.162 423 V CA -0.931 61.388 62.300 0.032 0.000 1.048 423 V CB 2.044 33.888 31.823 0.035 0.000 1.092 423 V HN 0.326 nan 8.190 nan 0.000 0.447 424 V N 1.802 121.655 119.914 -0.102 0.000 2.547 424 V HA 0.889 5.009 4.120 -0.000 0.000 0.299 424 V C 0.088 176.091 176.094 -0.152 0.000 1.040 424 V CA 0.860 63.039 62.300 -0.201 0.000 0.913 424 V CB 1.787 33.243 31.823 -0.612 0.000 0.992 424 V HN 1.584 nan 8.190 nan 0.000 0.449 425 S N 3.345 118.989 115.700 -0.092 0.000 2.596 425 S HA 0.620 5.090 4.470 -0.000 0.000 0.270 425 S C -0.443 174.136 174.600 -0.034 0.000 1.155 425 S CA -0.145 58.023 58.200 -0.054 0.000 0.827 425 S CB 1.702 64.892 63.200 -0.016 0.000 1.130 425 S HN 1.274 nan 8.310 nan 0.000 0.467 426 S N 0.321 116.008 115.700 -0.022 0.000 2.593 426 S HA 0.372 4.842 4.470 -0.000 0.000 0.269 426 S C 0.073 174.677 174.600 0.006 0.000 1.334 426 S CA -0.475 57.721 58.200 -0.007 0.000 1.015 426 S CB 0.105 63.304 63.200 -0.003 0.000 0.912 426 S HN 0.941 nan 8.310 nan 0.000 0.541 427 E N 0.739 120.947 120.200 0.014 0.000 2.465 427 E HA 0.053 4.402 4.350 -0.000 0.000 0.260 427 E C -0.206 176.398 176.600 0.007 0.000 0.980 427 E CA 0.369 56.781 56.400 0.018 0.000 0.927 427 E CB 0.145 29.859 29.700 0.023 0.000 0.934 427 E HN 0.676 nan 8.360 nan 0.000 0.459 428 N N 0.978 119.680 118.700 0.002 0.000 2.402 428 N HA 0.145 4.885 4.740 -0.000 0.000 0.294 428 N C 0.051 175.548 175.510 -0.021 0.000 1.203 428 N CA -0.343 52.699 53.050 -0.013 0.000 0.838 428 N CB 1.362 39.835 38.487 -0.023 0.000 1.306 428 N HN 0.485 nan 8.380 nan 0.000 0.510 429 S N -0.907 114.775 115.700 -0.030 0.000 2.593 429 S HA 0.005 4.475 4.470 -0.000 0.000 0.217 429 S C 0.743 175.304 174.600 -0.064 0.000 0.966 429 S CA -0.385 57.790 58.200 -0.041 0.000 0.914 429 S CB 0.029 63.208 63.200 -0.036 0.000 0.776 429 S HN 0.393 nan 8.310 nan 0.000 0.523 430 S N 1.004 116.663 115.700 -0.067 0.000 2.580 430 S HA 0.314 4.784 4.470 -0.000 0.000 0.274 430 S C 0.939 175.457 174.600 -0.137 0.000 1.329 430 S CA -0.579 57.565 58.200 -0.093 0.000 1.036 430 S CB 0.850 64.002 63.200 -0.079 0.000 0.919 430 S HN 0.324 nan 8.310 nan 0.000 0.515 431 S N 2.540 118.133 115.700 -0.178 0.000 2.562 431 S HA -0.026 4.444 4.470 -0.000 0.000 0.221 431 S C 1.848 176.254 174.600 -0.322 0.000 0.975 431 S CA 0.618 58.661 58.200 -0.262 0.000 0.918 431 S CB -0.163 62.870 63.200 -0.278 0.000 0.772 431 S HN 0.875 nan 8.310 nan 0.000 0.531 432 S N 1.929 117.468 115.700 -0.267 0.000 2.522 432 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 432 S C 1.536 175.903 174.600 -0.388 0.000 0.986 432 S CA 0.262 58.264 58.200 -0.329 0.000 0.929 432 S CB -0.373 62.708 63.200 -0.197 0.000 0.769 432 S HN 0.774 nan 8.310 nan 0.000 0.529 433 Q N 0.330 119.983 119.800 -0.245 0.000 2.247 433 Q HA 0.344 4.684 4.340 -0.000 0.000 0.204 433 Q C -0.332 175.614 176.000 -0.090 0.000 0.872 433 Q CA -0.247 55.511 55.803 -0.074 0.000 0.951 433 Q CB 0.011 28.791 28.738 0.069 0.000 1.099 433 Q HN 0.517 nan 8.270 nan 0.000 0.501 434 E N 0.629 120.621 120.200 -0.348 0.000 2.191 434 E HA 0.340 4.690 4.350 -0.000 0.000 0.278 434 E C -1.524 174.862 176.600 -0.357 0.000 0.972 434 E CA -0.534 55.746 56.400 -0.201 0.000 0.804 434 E CB 0.864 30.402 29.700 -0.270 0.000 1.110 434 E HN 0.178 nan 8.360 nan 0.000 0.394 435 W N 2.133 123.578 121.300 0.242 0.000 2.950 435 W HA 0.447 5.107 4.660 -0.000 0.000 0.340 435 W C -0.881 175.886 176.519 0.413 0.000 1.139 435 W CA -0.624 56.900 57.345 0.298 0.000 1.188 435 W CB 0.964 30.628 29.460 0.341 0.000 1.426 435 W HN 0.235 nan 8.180 nan 0.000 0.531 436 L N 3.053 124.624 121.223 0.580 0.000 2.295 436 L HA 0.531 4.871 4.340 -0.000 0.000 0.285 436 L C -0.303 176.759 176.870 0.319 0.000 1.035 436 L CA -0.823 54.270 54.840 0.421 0.000 0.806 436 L CB 0.950 43.186 42.059 0.294 0.000 1.214 436 L HN 0.281 nan 8.230 nan 0.000 0.426 437 I N 3.154 123.832 120.570 0.181 0.000 2.337 437 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 437 I C 0.034 176.204 176.117 0.088 0.000 1.041 437 I CA -0.137 61.145 61.300 -0.029 0.000 1.199 437 I CB 1.032 38.730 38.000 -0.503 0.000 1.370 437 I HN 0.627 nan 8.210 nan 0.000 0.470 438 E N 6.140 126.461 120.200 0.202 0.000 2.156 438 E HA 0.230 4.580 4.350 -0.000 0.000 0.279 438 E C -0.452 176.316 176.600 0.279 0.000 0.965 438 E CA -1.017 55.513 56.400 0.216 0.000 0.789 438 E CB 1.254 31.039 29.700 0.143 0.000 1.098 438 E HN 0.253 nan 8.360 nan 0.000 0.397 439 K N 2.997 123.520 120.400 0.206 0.000 2.416 439 K HA 0.044 4.364 4.320 -0.000 0.000 0.283 439 K C -0.622 175.881 176.600 -0.162 0.000 1.037 439 K CA -0.040 56.189 56.287 -0.097 0.000 0.995 439 K CB 0.531 32.943 32.500 -0.148 0.000 0.938 439 K HN 0.503 nan 8.250 nan 0.000 0.475 440 T N 1.919 116.315 114.554 -0.265 0.000 2.919 440 T HA 0.266 4.616 4.350 -0.000 0.000 0.302 440 T C -0.158 174.277 174.700 -0.441 0.000 1.031 440 T CA -0.765 61.140 62.100 -0.325 0.000 1.127 440 T CB 0.589 69.306 68.868 -0.251 0.000 0.952 440 T HN 0.655 nan 8.240 nan 0.000 0.540 441 N N 1.327 119.643 118.700 -0.639 0.000 2.455 441 N HA 0.336 5.076 4.740 -0.000 0.000 0.285 441 N C -1.153 174.039 175.510 -0.530 0.000 1.080 441 N CA -0.754 52.034 53.050 -0.436 0.000 0.932 441 N CB 1.162 39.550 38.487 -0.166 0.000 1.610 441 N HN 0.632 nan 8.380 nan 0.000 0.493 442 Y N 0.977 121.339 120.300 0.103 0.000 2.638 442 Y HA 0.341 4.891 4.550 -0.000 0.000 0.275 442 Y C 0.851 176.833 175.900 0.138 0.000 1.122 442 Y CA -0.139 58.065 58.100 0.172 0.000 1.266 442 Y CB 0.295 38.902 38.460 0.244 0.000 1.317 442 Y HN 0.520 nan 8.280 nan 0.000 0.501 443 Q N 1.334 121.160 119.800 0.044 0.000 2.664 443 Q HA 0.083 4.423 4.340 -0.000 0.000 0.223 443 Q C 0.645 176.645 176.000 -0.001 0.000 1.298 443 Q CA 0.055 55.660 55.803 -0.329 0.000 0.965 443 Q CB 0.432 28.743 28.738 -0.712 0.000 1.510 443 Q HN 0.256 nan 8.270 nan 0.000 0.567 444 T N 0.788 115.426 114.554 0.140 0.000 3.031 444 T HA 0.080 4.430 4.350 -0.000 0.000 0.254 444 T C 0.275 174.996 174.700 0.036 0.000 1.060 444 T CA 0.707 62.866 62.100 0.097 0.000 1.135 444 T CB 0.421 69.373 68.868 0.140 0.000 0.896 444 T HN 0.466 nan 8.240 nan 0.000 0.472 445 V N -0.111 119.792 119.914 -0.018 0.000 2.823 445 V HA 0.638 4.758 4.120 -0.000 0.000 0.312 445 V C -0.442 175.717 176.094 0.108 0.000 1.072 445 V CA -1.518 60.725 62.300 -0.096 0.000 0.937 445 V CB 1.876 33.384 31.823 -0.525 0.000 1.013 445 V HN 0.058 nan 8.190 nan 0.000 0.430 446 K N 2.121 122.626 120.400 0.175 0.000 2.414 446 K HA 0.128 4.448 4.320 -0.000 0.000 0.272 446 K C -0.171 176.646 176.600 0.361 0.000 0.993 446 K CA -0.198 56.237 56.287 0.248 0.000 0.964 446 K CB 0.337 32.972 32.500 0.225 0.000 0.925 446 K HN 0.889 nan 8.250 nan 0.000 0.487 447 D N 1.559 122.151 120.400 0.321 0.000 2.493 447 D HA 0.235 4.875 4.640 -0.000 0.000 0.240 447 D C 0.367 176.855 176.300 0.313 0.000 1.142 447 D CA 1.102 55.306 54.000 0.341 0.000 0.872 447 D CB 1.078 42.032 40.800 0.256 0.000 1.173 447 D HN 0.728 nan 8.370 nan 0.000 0.467 448 G N 0.775 109.791 108.800 0.361 0.000 2.351 448 G HA2 0.291 4.251 3.960 -0.000 0.000 0.279 448 G HA3 0.291 4.251 3.960 -0.000 0.000 0.279 448 G C -0.983 174.003 174.900 0.144 0.000 1.297 448 G CA -0.368 44.837 45.100 0.175 0.000 0.886 448 G HN 0.479 nan 8.290 nan 0.000 0.493 449 T N -1.366 113.143 114.554 -0.075 0.000 2.837 449 T HA 0.745 5.095 4.350 -0.000 0.000 0.285 449 T C -0.966 173.570 174.700 -0.273 0.000 0.984 449 T CA -0.235 61.865 62.100 -0.000 0.000 1.049 449 T CB 1.425 70.359 68.868 0.111 0.000 0.947 449 T HN 0.578 nan 8.240 nan 0.000 0.472 450 Y N 0.001 120.407 120.300 0.178 0.000 2.588 450 Y HA 0.536 5.086 4.550 -0.000 0.000 0.343 450 Y C 0.010 176.011 175.900 0.167 0.000 1.065 450 Y CA -1.263 56.934 58.100 0.162 0.000 1.038 450 Y CB 2.544 41.053 38.460 0.082 0.000 1.297 450 Y HN 0.643 nan 8.280 nan 0.000 0.467 451 Q N 1.117 121.112 119.800 0.326 0.000 2.312 451 Q HA 0.739 5.079 4.340 -0.000 0.000 0.263 451 Q C -1.813 174.327 176.000 0.232 0.000 0.995 451 Q CA -0.801 55.146 55.803 0.239 0.000 0.853 451 Q CB 1.804 30.646 28.738 0.173 0.000 1.300 451 Q HN 0.549 nan 8.270 nan 0.000 0.448 452 V N 3.222 123.251 119.914 0.192 0.000 2.409 452 V HA 0.575 4.695 4.120 -0.000 0.000 0.291 452 V C -0.548 175.667 176.094 0.202 0.000 1.020 452 V CA -0.496 61.862 62.300 0.097 0.000 0.848 452 V CB 1.203 32.917 31.823 -0.181 0.000 0.990 452 V HN 0.877 nan 8.190 nan 0.000 0.430 453 S N 2.626 118.510 115.700 0.308 0.000 2.632 453 S HA 0.714 5.184 4.470 -0.000 0.000 0.289 453 S C -0.384 174.442 174.600 0.377 0.000 1.115 453 S CA -0.693 57.710 58.200 0.339 0.000 0.889 453 S CB 1.934 65.256 63.200 0.204 0.000 1.116 453 S HN 0.712 nan 8.310 nan 0.000 0.486 454 S N 0.192 115.990 115.700 0.162 0.000 2.565 454 S HA 0.289 4.759 4.470 -0.000 0.000 0.274 454 S C 1.025 175.520 174.600 -0.175 0.000 1.309 454 S CA -0.470 57.572 58.200 -0.262 0.000 1.043 454 S CB 0.948 63.930 63.200 -0.364 0.000 0.939 454 S HN 0.828 nan 8.310 nan 0.000 0.504 455 K N 3.829 124.070 120.400 -0.265 0.000 2.211 455 K HA 0.008 4.328 4.320 -0.000 0.000 0.204 455 K C 1.638 178.160 176.600 -0.130 0.000 1.047 455 K CA 1.590 57.783 56.287 -0.157 0.000 0.935 455 K CB -0.650 31.746 32.500 -0.174 0.000 0.728 455 K HN 0.760 nan 8.250 nan 0.000 0.452 456 L N -0.154 120.968 121.223 -0.168 0.000 2.191 456 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 456 L C 0.512 177.334 176.870 -0.080 0.000 1.103 456 L CA 0.773 55.540 54.840 -0.121 0.000 0.769 456 L CB -0.148 41.829 42.059 -0.136 0.000 0.908 456 L HN 0.258 nan 8.230 nan 0.000 0.438 457 N N -0.801 117.859 118.700 -0.066 0.000 2.905 457 N HA -0.021 4.719 4.740 -0.000 0.000 0.255 457 N C 0.101 175.611 175.510 -0.000 0.000 1.199 457 N CA -0.105 52.926 53.050 -0.032 0.000 0.911 457 N CB 1.078 39.545 38.487 -0.034 0.000 1.550 457 N HN 0.225 nan 8.380 nan 0.000 0.599 458 E N 1.205 121.414 120.200 0.015 0.000 2.482 458 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 458 E C -0.014 176.628 176.600 0.069 0.000 1.047 458 E CA 0.647 57.077 56.400 0.050 0.000 0.869 458 E CB 0.032 29.763 29.700 0.052 0.000 0.836 458 E HN 0.421 nan 8.360 nan 0.000 0.520 459 N N 0.506 119.236 118.700 0.051 0.000 2.322 459 N HA 0.022 4.762 4.740 -0.000 0.000 0.194 459 N C -0.544 175.006 175.510 0.068 0.000 1.126 459 N CA -0.006 53.081 53.050 0.060 0.000 0.845 459 N CB 0.378 38.890 38.487 0.041 0.000 0.976 459 N HN -0.046 nan 8.380 nan 0.000 0.475 460 K N 1.981 122.422 120.400 0.069 0.000 2.299 460 K HA 0.215 4.535 4.320 -0.000 0.000 0.268 460 K C -0.096 176.598 176.600 0.158 0.000 1.075 460 K CA -0.370 55.968 56.287 0.085 0.000 0.936 460 K CB 1.039 33.564 32.500 0.042 0.000 1.228 460 K HN -0.089 nan 8.250 nan 0.000 0.454 461 V N 0.289 120.314 119.914 0.184 0.000 2.834 461 V HA 0.540 4.660 4.120 -0.000 0.000 0.313 461 V C 0.507 176.756 176.094 0.258 0.000 1.060 461 V CA -1.139 61.293 62.300 0.221 0.000 0.989 461 V CB 1.235 33.174 31.823 0.193 0.000 1.041 461 V HN 0.504 nan 8.190 nan 0.000 0.459 462 I N 2.688 123.403 120.570 0.242 0.000 2.505 462 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 462 I C 0.460 176.859 176.117 0.471 0.000 1.104 462 I CA 0.518 61.959 61.300 0.234 0.000 1.387 462 I CB 0.261 38.203 38.000 -0.098 0.000 1.404 462 I HN 0.872 nan 8.210 nan 0.000 0.528 463 E N 7.322 127.781 120.200 0.432 0.000 2.199 463 E HA 0.230 4.580 4.350 -0.000 0.000 0.269 463 E C -0.987 175.810 176.600 0.328 0.000 0.899 463 E CA -0.771 55.847 56.400 0.364 0.000 0.772 463 E CB 1.638 31.518 29.700 0.301 0.000 1.155 463 E HN 0.542 nan 8.360 nan 0.000 0.408 464 Q N 4.901 124.805 119.800 0.173 0.000 2.349 464 Q HA 0.328 4.668 4.340 -0.000 0.000 0.254 464 Q C -1.073 174.896 176.000 -0.052 0.000 0.980 464 Q CA -0.431 55.422 55.803 0.083 0.000 0.924 464 Q CB 0.817 29.544 28.738 -0.019 0.000 1.209 464 Q HN 0.612 nan 8.270 nan 0.000 0.445 465 I N 3.062 123.545 120.570 -0.145 0.000 2.525 465 I HA 0.250 4.420 4.170 -0.000 0.000 0.301 465 I C 0.406 176.412 176.117 -0.186 0.000 0.992 465 I CA 0.391 61.579 61.300 -0.188 0.000 1.162 465 I CB 1.365 39.189 38.000 -0.294 0.000 1.332 465 I HN 1.100 nan 8.210 nan 0.000 0.458 466 S N 3.153 118.752 115.700 -0.168 0.000 4.046 466 S HA -0.388 4.082 4.470 -0.000 0.000 0.572 466 S C 1.014 175.376 174.600 -0.397 0.000 2.022 466 S CA 1.815 59.876 58.200 -0.230 0.000 4.201 466 S CB -2.038 61.039 63.200 -0.204 0.000 0.438 466 S HN 1.001 nan 8.310 nan 0.000 0.618 467 T N -0.759 113.494 114.554 -0.503 0.000 3.098 467 T HA 0.211 4.561 4.350 -0.000 0.000 0.246 467 T C 1.315 175.700 174.700 -0.525 0.000 0.983 467 T CA 0.745 62.364 62.100 -0.802 0.000 1.094 467 T CB -0.760 67.369 68.868 -1.232 0.000 1.035 467 T HN 0.820 nan 8.240 nan 0.000 0.456 468 N N 1.309 119.827 118.700 -0.304 0.000 2.463 468 N HA 0.097 4.837 4.740 -0.000 0.000 0.181 468 N C 0.424 175.913 175.510 -0.035 0.000 1.078 468 N CA 0.238 53.233 53.050 -0.093 0.000 0.902 468 N CB -0.045 38.425 38.487 -0.028 0.000 0.970 468 N HN 0.450 nan 8.380 nan 0.000 0.451 469 K N 0.859 121.208 120.400 -0.085 0.000 2.159 469 K HA 0.420 4.740 4.320 -0.000 0.000 0.266 469 K C -1.054 175.509 176.600 -0.062 0.000 0.975 469 K CA -0.791 55.453 56.287 -0.071 0.000 0.865 469 K CB 1.674 34.100 32.500 -0.124 0.000 1.087 469 K HN -0.014 nan 8.250 nan 0.000 0.446 470 V N 2.327 122.237 119.914 -0.006 0.000 2.823 470 V HA 0.708 4.828 4.120 -0.000 0.000 0.312 470 V C -1.172 174.991 176.094 0.115 0.000 1.072 470 V CA -0.317 62.021 62.300 0.063 0.000 0.937 470 V CB 1.490 33.390 31.823 0.130 0.000 1.013 470 V HN 1.115 nan 8.190 nan 0.000 0.430 471 H N 2.400 121.560 119.070 0.150 0.000 2.948 471 H HA 0.686 5.241 4.556 -0.000 0.000 0.315 471 H C -1.496 173.960 175.328 0.213 0.000 1.360 471 H CA -1.237 54.912 56.048 0.168 0.000 1.125 471 H CB 2.034 31.907 29.762 0.185 0.000 1.844 471 H HN 0.779 nan 8.280 nan 0.000 0.529 472 I N 1.192 121.927 120.570 0.275 0.000 2.519 472 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 472 I C -1.260 174.917 176.117 0.099 0.000 1.047 472 I CA 0.178 61.591 61.300 0.188 0.000 1.381 472 I CB 0.243 38.327 38.000 0.141 0.000 1.417 472 I HN 0.485 nan 8.210 nan 0.000 0.540 473 F N 3.768 123.703 119.950 -0.024 0.000 2.654 473 F HA 0.364 4.891 4.527 -0.000 0.000 0.308 473 F C 0.032 175.834 175.800 0.003 0.000 1.108 473 F CA -0.630 57.330 58.000 -0.067 0.000 0.957 473 F CB 1.690 40.642 39.000 -0.081 0.000 1.309 473 F HN 0.275 nan 8.300 nan 0.000 0.446 474 S N 2.180 117.905 115.700 0.042 0.000 2.549 474 S HA 0.021 4.491 4.470 -0.000 0.000 0.286 474 S C -0.358 174.357 174.600 0.192 0.000 1.314 474 S CA -0.158 58.094 58.200 0.087 0.000 1.062 474 S CB 0.161 63.374 63.200 0.021 0.000 0.865 474 S HN 0.553 nan 8.310 nan 0.000 0.498 475 N N 1.194 119.973 118.700 0.132 0.000 2.513 475 N HA 0.109 4.849 4.740 -0.000 0.000 0.268 475 N C 0.292 175.870 175.510 0.113 0.000 1.180 475 N CA 0.108 53.233 53.050 0.125 0.000 0.948 475 N CB 0.518 39.069 38.487 0.107 0.000 1.083 475 N HN 0.492 nan 8.380 nan 0.000 0.455 476 S N 0.923 116.685 115.700 0.104 0.000 3.082 476 S HA 0.194 4.664 4.470 -0.000 0.000 0.253 476 S C -0.706 173.957 174.600 0.104 0.000 0.961 476 S CA -0.577 57.680 58.200 0.096 0.000 1.129 476 S CB -0.138 63.117 63.200 0.092 0.000 1.083 476 S HN 0.647 nan 8.310 nan 0.000 0.605 477 D N 2.023 122.476 120.400 0.087 0.000 2.800 477 D HA -0.123 4.517 4.640 -0.000 0.000 0.232 477 D C -0.214 176.162 176.300 0.127 0.000 1.137 477 D CA 1.105 55.167 54.000 0.103 0.000 0.718 477 D CB -1.131 39.840 40.800 0.285 0.000 1.084 477 D HN 0.776 nan 8.370 nan 0.000 0.432 478 K N -0.011 120.425 120.400 0.061 0.000 2.095 478 K HA 0.459 4.779 4.320 -0.000 0.000 0.252 478 K C 1.134 177.796 176.600 0.104 0.000 0.977 478 K CA -0.784 55.577 56.287 0.124 0.000 0.900 478 K CB 1.694 34.209 32.500 0.026 0.000 1.060 478 K HN -0.170 nan 8.250 nan 0.000 0.449 479 E N 1.130 121.408 120.200 0.130 0.000 2.114 479 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 479 E C 1.242 177.739 176.600 -0.171 0.000 1.008 479 E CA 1.944 58.343 56.400 -0.002 0.000 0.810 479 E CB -0.163 29.432 29.700 -0.174 0.000 0.739 479 E HN 0.697 nan 8.360 nan 0.000 0.456 480 N N 0.596 119.180 118.700 -0.193 0.000 2.515 480 N HA -0.131 4.609 4.740 -0.000 0.000 0.191 480 N C 0.722 176.075 175.510 -0.262 0.000 1.182 480 N CA 0.600 53.493 53.050 -0.263 0.000 0.879 480 N CB 0.101 38.491 38.487 -0.162 0.000 0.984 480 N HN 0.246 nan 8.380 nan 0.000 0.453 481 Q N -0.293 119.377 119.800 -0.217 0.000 2.179 481 Q HA 0.298 4.638 4.340 -0.000 0.000 0.213 481 Q C -0.779 175.082 176.000 -0.232 0.000 0.833 481 Q CA -0.131 55.590 55.803 -0.137 0.000 0.990 481 Q CB 1.394 30.096 28.738 -0.061 0.000 1.132 481 Q HN 0.124 nan 8.270 nan 0.000 0.493 482 V N 0.492 120.155 119.914 -0.419 0.000 2.604 482 V HA 0.431 4.550 4.120 -0.000 0.000 0.305 482 V C -1.219 174.624 176.094 -0.419 0.000 1.043 482 V CA -0.745 61.366 62.300 -0.315 0.000 0.888 482 V CB 1.306 32.974 31.823 -0.257 0.000 0.995 482 V HN 0.195 nan 8.190 nan 0.000 0.429 483 W N 1.927 123.250 121.300 0.038 0.000 2.736 483 W HA 0.537 5.197 4.660 -0.000 0.000 0.335 483 W C -0.057 176.540 176.519 0.129 0.000 1.059 483 W CA -0.535 56.849 57.345 0.064 0.000 1.226 483 W CB 1.382 30.853 29.460 0.017 0.000 1.416 483 W HN 0.408 nan 8.180 nan 0.000 0.505 484 N N 1.985 120.894 118.700 0.349 0.000 2.439 484 N HA 0.384 5.124 4.740 -0.000 0.000 0.249 484 N C -1.530 174.170 175.510 0.318 0.000 1.003 484 N CA -0.260 52.967 53.050 0.294 0.000 0.942 484 N CB 0.507 39.120 38.487 0.209 0.000 1.115 484 N HN 0.238 nan 8.380 nan 0.000 0.505 485 L N 4.216 125.652 121.223 0.355 0.000 2.257 485 L HA 0.515 4.855 4.340 -0.000 0.000 0.290 485 L C -0.115 176.997 176.870 0.404 0.000 1.044 485 L CA -0.445 54.586 54.840 0.318 0.000 0.810 485 L CB 0.802 42.931 42.059 0.117 0.000 1.193 485 L HN 0.514 nan 8.230 nan 0.000 0.425 486 I N 2.814 123.617 120.570 0.388 0.000 2.436 486 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 486 I C -1.163 175.113 176.117 0.265 0.000 1.010 486 I CA -0.728 60.765 61.300 0.321 0.000 1.098 486 I CB 1.261 39.385 38.000 0.207 0.000 1.266 486 I HN 0.474 nan 8.210 nan 0.000 0.434 487 Y N 7.549 127.821 120.300 -0.047 0.000 2.359 487 Y HA 0.343 4.893 4.550 -0.000 0.000 0.330 487 Y C -0.149 175.643 175.900 -0.179 0.000 1.143 487 Y CA -0.112 57.739 58.100 -0.415 0.000 1.318 487 Y CB 0.623 38.809 38.460 -0.455 0.000 1.234 487 Y HN 0.674 nan 8.280 nan 0.000 0.522 488 N N 7.704 126.016 118.700 -0.647 0.000 2.469 488 N HA 0.290 5.030 4.740 -0.000 0.000 0.253 488 N C -2.384 172.543 175.510 -0.972 0.000 0.970 488 N CA -2.446 50.246 53.050 -0.597 0.000 0.940 488 N CB 1.763 39.956 38.487 -0.491 0.000 1.128 488 N HN 0.345 nan 8.380 nan 0.000 0.503 489 P HA -0.030 nan 4.420 nan 0.000 0.222 489 P C 1.353 178.387 177.300 -0.444 0.000 1.147 489 P CA 0.658 63.436 63.100 -0.536 0.000 0.790 489 P CB 0.505 32.062 31.700 -0.239 0.000 0.780 490 I N -1.701 118.612 120.570 -0.427 0.000 2.339 490 I HA -0.081 4.089 4.170 -0.000 0.000 0.245 490 I C 1.931 177.798 176.117 -0.417 0.000 1.096 490 I CA 1.117 62.201 61.300 -0.360 0.000 1.408 490 I CB -1.348 36.465 38.000 -0.313 0.000 1.092 490 I HN -0.044 nan 8.210 nan 0.000 0.423 491 L N 1.062 121.941 121.223 -0.573 0.000 2.395 491 L HA 0.025 4.365 4.340 -0.000 0.000 0.218 491 L C 0.923 177.475 176.870 -0.529 0.000 1.130 491 L CA 0.706 55.138 54.840 -0.679 0.000 0.826 491 L CB -0.495 40.911 42.059 -1.088 0.000 0.941 491 L HN 0.236 nan 8.230 nan 0.000 0.451 492 K N -1.258 118.790 120.400 -0.586 0.000 3.071 492 K HA -0.196 4.124 4.320 -0.000 0.000 0.265 492 K C 0.155 176.673 176.600 -0.137 0.000 1.060 492 K CA 0.873 56.912 56.287 -0.414 0.000 0.767 492 K CB -2.503 29.696 32.500 -0.502 0.000 1.241 492 K HN 0.337 nan 8.250 nan 0.000 0.486 493 A N -0.297 122.332 122.820 -0.318 0.000 2.564 493 A HA 0.811 5.131 4.320 -0.000 0.000 0.288 493 A C -1.421 176.196 177.584 0.054 0.000 1.164 493 A CA -0.846 51.216 52.037 0.043 0.000 0.712 493 A CB 1.041 20.075 19.000 0.056 0.000 1.303 493 A HN 0.159 nan 8.150 nan 0.000 0.418 494 Y N 0.394 120.895 120.300 0.334 0.000 2.377 494 Y HA 0.523 5.073 4.550 -0.000 0.000 0.339 494 Y C 0.445 176.480 175.900 0.225 0.000 1.011 494 Y CA -0.286 57.998 58.100 0.308 0.000 1.093 494 Y CB 1.971 40.568 38.460 0.228 0.000 1.201 494 Y HN 0.661 nan 8.280 nan 0.000 0.455 495 K N 3.572 124.082 120.400 0.185 0.000 2.234 495 K HA 0.495 4.815 4.320 -0.000 0.000 0.282 495 K C -1.138 175.547 176.600 0.143 0.000 1.039 495 K CA -0.240 56.003 56.287 -0.074 0.000 0.928 495 K CB 0.481 32.797 32.500 -0.306 0.000 1.039 495 K HN 0.626 nan 8.250 nan 0.000 0.470 496 I N 5.167 125.815 120.570 0.129 0.000 2.337 496 I HA 0.200 4.370 4.170 -0.000 0.000 0.285 496 I C -0.488 175.774 176.117 0.242 0.000 1.041 496 I CA -0.542 60.817 61.300 0.097 0.000 1.199 496 I CB 1.082 38.960 38.000 -0.203 0.000 1.370 496 I HN 0.354 nan 8.210 nan 0.000 0.470 497 K N 4.057 124.669 120.400 0.352 0.000 2.206 497 K HA 0.347 4.667 4.320 -0.000 0.000 0.264 497 K C 0.126 176.988 176.600 0.436 0.000 0.967 497 K CA -0.554 55.954 56.287 0.368 0.000 0.844 497 K CB 1.888 34.516 32.500 0.213 0.000 1.099 497 K HN 0.514 nan 8.250 nan 0.000 0.441 498 S N 2.753 118.654 115.700 0.334 0.000 2.593 498 S HA -0.071 4.399 4.470 -0.000 0.000 0.300 498 S C 1.074 175.603 174.600 -0.118 0.000 1.267 498 S CA -0.413 57.691 58.200 -0.161 0.000 1.065 498 S CB 0.275 63.476 63.200 0.002 0.000 0.807 498 S HN 0.592 nan 8.310 nan 0.000 0.499 499 L N 4.808 125.869 121.223 -0.271 0.000 2.072 499 L HA 0.212 4.552 4.340 -0.000 0.000 0.205 499 L C 2.322 179.066 176.870 -0.210 0.000 1.079 499 L CA 1.888 56.635 54.840 -0.156 0.000 0.752 499 L CB -0.745 41.240 42.059 -0.123 0.000 0.906 499 L HN 0.808 nan 8.230 nan 0.000 0.436 500 K N -1.244 118.952 120.400 -0.341 0.000 2.148 500 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 500 K C -0.419 175.740 176.600 -0.736 0.000 1.050 500 K CA 1.125 57.066 56.287 -0.576 0.000 0.942 500 K CB -0.001 32.043 32.500 -0.761 0.000 0.724 500 K HN 0.330 nan 8.250 nan 0.000 0.446 501 Y N -0.597 119.665 120.300 -0.064 0.000 2.705 501 Y HA 0.286 4.836 4.550 -0.000 0.000 0.355 501 Y C -2.158 173.821 175.900 0.132 0.000 1.039 501 Y CA -2.661 55.464 58.100 0.042 0.000 1.233 501 Y CB 1.481 39.946 38.460 0.008 0.000 1.103 501 Y HN 0.042 nan 8.280 nan 0.000 0.624 502 P HA -0.133 nan 4.420 nan 0.000 0.220 502 P C 1.197 178.582 177.300 0.142 0.000 1.148 502 P CA 1.349 64.528 63.100 0.132 0.000 0.803 502 P CB 0.491 32.234 31.700 0.072 0.000 0.782 503 N N -1.551 117.243 118.700 0.155 0.000 2.443 503 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 503 N C 0.067 175.503 175.510 -0.124 0.000 1.037 503 N CA 0.845 53.891 53.050 -0.008 0.000 0.896 503 N CB -0.250 38.181 38.487 -0.092 0.000 0.959 503 N HN 0.320 nan 8.380 nan 0.000 0.442 504 Y N -0.162 120.203 120.300 0.109 0.000 2.360 504 Y HA 0.313 4.863 4.550 -0.000 0.000 0.337 504 Y C 0.579 176.581 175.900 0.171 0.000 1.039 504 Y CA -0.944 57.229 58.100 0.121 0.000 1.109 504 Y CB 1.525 40.053 38.460 0.113 0.000 1.201 504 Y HN -0.181 nan 8.280 nan 0.000 0.458 505 S N 2.197 118.067 115.700 0.283 0.000 2.599 505 S HA 0.584 5.054 4.470 -0.000 0.000 0.294 505 S C -1.277 173.478 174.600 0.258 0.000 1.094 505 S CA -0.977 57.380 58.200 0.262 0.000 0.931 505 S CB 1.573 64.848 63.200 0.126 0.000 1.093 505 S HN 0.514 nan 8.310 nan 0.000 0.488 506 L N 2.063 123.392 121.223 0.177 0.000 2.477 506 L HA 0.572 4.912 4.340 -0.000 0.000 0.272 506 L C 0.274 177.356 176.870 0.353 0.000 1.157 506 L CA 0.847 55.724 54.840 0.063 0.000 0.889 506 L CB -0.065 41.762 42.059 -0.387 0.000 1.158 506 L HN 1.041 nan 8.230 nan 0.000 0.473 507 A N 4.611 127.644 122.820 0.356 0.000 2.469 507 A HA 0.564 4.884 4.320 -0.000 0.000 0.299 507 A C -1.888 176.007 177.584 0.519 0.000 1.098 507 A CA -0.640 51.668 52.037 0.452 0.000 0.737 507 A CB 0.718 19.878 19.000 0.266 0.000 1.312 507 A HN 0.658 nan 8.150 nan 0.000 0.414 508 W N 1.694 123.169 121.300 0.291 0.000 2.331 508 W HA 0.480 5.140 4.660 -0.000 0.000 0.306 508 W C -0.483 176.105 176.519 0.115 0.000 1.162 508 W CA -0.606 56.870 57.345 0.220 0.000 1.232 508 W CB 1.199 30.772 29.460 0.189 0.000 1.235 508 W HN 0.668 nan 8.180 nan 0.000 0.479 509 D N 3.383 123.689 120.400 -0.157 0.000 2.671 509 D HA -0.043 4.597 4.640 -0.000 0.000 0.228 509 D C 1.685 177.552 176.300 -0.721 0.000 1.102 509 D CA 0.577 54.397 54.000 -0.301 0.000 1.044 509 D CB 0.017 40.752 40.800 -0.108 0.000 1.113 509 D HN 0.346 nan 8.370 nan 0.000 0.480 510 S N 1.822 116.923 115.700 -0.998 0.000 2.399 510 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 510 S C 1.406 175.588 174.600 -0.697 0.000 1.022 510 S CA 0.598 57.946 58.200 -1.420 0.000 0.983 510 S CB -0.064 62.520 63.200 -1.027 0.000 0.803 510 S HN 0.342 nan 8.310 nan 0.000 0.480 511 N N 1.540 119.991 118.700 -0.415 0.000 2.353 511 N HA 0.192 4.932 4.740 -0.000 0.000 0.185 511 N C 0.901 176.305 175.510 -0.177 0.000 1.098 511 N CA 0.482 53.385 53.050 -0.245 0.000 0.872 511 N CB -0.026 38.351 38.487 -0.184 0.000 0.970 511 N HN 0.630 nan 8.380 nan 0.000 0.467 512 N N -0.296 118.291 118.700 -0.187 0.000 2.936 512 N HA -0.041 4.698 4.740 -0.000 0.000 0.165 512 N C 1.173 176.638 175.510 -0.075 0.000 1.621 512 N CA 1.313 54.300 53.050 -0.105 0.000 1.214 512 N CB -0.450 37.990 38.487 -0.078 0.000 0.959 512 N HN -0.070 nan 8.380 nan 0.000 0.573 513 T N -1.066 113.457 114.554 -0.051 0.000 3.072 513 T HA 0.146 4.496 4.350 -0.000 0.000 0.266 513 T C 0.511 175.248 174.700 0.061 0.000 1.127 513 T CA 0.687 62.796 62.100 0.014 0.000 1.107 513 T CB -0.292 68.599 68.868 0.039 0.000 0.910 513 T HN 0.485 nan 8.240 nan 0.000 0.513 514 R N 0.232 120.721 120.500 -0.017 0.000 4.000 514 R HA -0.141 4.199 4.340 -0.000 0.000 0.348 514 R C -0.151 176.421 176.300 0.453 0.000 1.204 514 R CA 1.026 57.216 56.100 0.151 0.000 0.987 514 R CB -2.798 27.703 30.300 0.335 0.000 1.446 514 R HN 0.444 nan 8.270 nan 0.000 0.555 515 T N 1.171 115.878 114.554 0.256 0.000 2.882 515 T HA 0.358 4.708 4.350 -0.000 0.000 0.287 515 T C 0.765 175.668 174.700 0.339 0.000 1.014 515 T CA -0.381 61.884 62.100 0.275 0.000 1.049 515 T CB 0.830 69.795 68.868 0.163 0.000 1.001 515 T HN 0.021 nan 8.240 nan 0.000 0.525 516 I N 3.556 124.299 120.570 0.290 0.000 2.441 516 I HA 0.343 4.513 4.170 -0.000 0.000 0.287 516 I C 0.550 176.762 176.117 0.158 0.000 1.049 516 I CA -0.158 61.288 61.300 0.243 0.000 1.381 516 I CB 0.238 38.301 38.000 0.105 0.000 1.409 516 I HN 0.386 nan 8.210 nan 0.000 0.523 517 V N 3.196 123.208 119.914 0.164 0.000 3.167 517 V HA 0.987 5.107 4.120 -0.000 0.000 0.310 517 V C -0.436 175.751 176.094 0.154 0.000 1.207 517 V CA -1.027 61.352 62.300 0.130 0.000 1.059 517 V CB 1.756 33.647 31.823 0.113 0.000 1.079 517 V HN 0.777 nan 8.190 nan 0.000 0.446 518 A N 0.640 123.560 122.820 0.167 0.000 2.318 518 A HA 1.044 5.364 4.320 -0.000 0.000 0.324 518 A C -0.030 177.744 177.584 0.315 0.000 1.170 518 A CA -0.040 52.147 52.037 0.250 0.000 0.810 518 A CB 0.948 20.107 19.000 0.265 0.000 1.198 518 A HN 2.492 nan 8.150 nan 0.000 0.484 519 A N 1.302 124.324 122.820 0.337 0.000 2.587 519 A HA 0.843 5.162 4.320 -0.000 0.000 0.293 519 A C 0.227 177.840 177.584 0.048 0.000 1.087 519 A CA 0.048 52.246 52.037 0.268 0.000 0.692 519 A CB 0.486 19.586 19.000 0.167 0.000 1.291 519 A HN 1.683 nan 8.150 nan 0.000 0.407 520 T N -0.819 113.620 114.554 -0.191 0.000 2.698 520 T HA 0.644 4.994 4.350 -0.000 0.000 0.295 520 T C 0.879 175.529 174.700 -0.082 0.000 1.007 520 T CA 0.564 62.476 62.100 -0.314 0.000 0.980 520 T CB 0.540 69.187 68.868 -0.368 0.000 1.036 520 T HN 2.715 nan 8.240 nan 0.000 0.526 521 G N 0.059 108.788 108.800 -0.119 0.000 2.712 521 G HA2 0.050 4.010 3.960 -0.000 0.000 0.683 521 G HA3 0.050 4.010 3.960 -0.000 0.000 0.683 521 G C -0.740 174.046 174.900 -0.191 0.000 1.320 521 G CA -0.094 44.914 45.100 -0.153 0.000 0.847 521 G HN 1.069 nan 8.290 nan 0.000 0.553 522 D N -0.516 119.648 120.400 -0.394 0.000 2.879 522 D HA 0.498 5.138 4.640 -0.000 0.000 0.351 522 D C -0.382 175.798 176.300 -0.200 0.000 1.239 522 D CA -0.318 53.558 54.000 -0.207 0.000 0.771 522 D CB -0.174 40.542 40.800 -0.141 0.000 1.176 522 D HN 0.438 nan 8.370 nan 0.000 0.496 523 Y N 0.233 120.580 120.300 0.079 0.000 2.354 523 Y HA 0.288 4.838 4.550 -0.000 0.000 0.322 523 Y C 1.780 177.772 175.900 0.153 0.000 1.253 523 Y CA -0.843 57.304 58.100 0.077 0.000 1.272 523 Y CB 0.757 39.238 38.460 0.036 0.000 1.255 523 Y HN -0.023 nan 8.280 nan 0.000 0.500 524 N N 1.006 119.868 118.700 0.269 0.000 2.223 524 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 524 N C 0.794 176.442 175.510 0.229 0.000 1.016 524 N CA 1.485 54.643 53.050 0.179 0.000 0.863 524 N CB -0.334 38.218 38.487 0.109 0.000 0.983 524 N HN 0.707 nan 8.380 nan 0.000 0.429 525 D N -0.116 120.386 120.400 0.171 0.000 2.324 525 D HA -0.062 4.578 4.640 -0.000 0.000 0.235 525 D C 0.563 176.831 176.300 -0.053 0.000 1.095 525 D CA 0.341 54.370 54.000 0.048 0.000 0.871 525 D CB -0.423 40.414 40.800 0.062 0.000 0.906 525 D HN 0.297 nan 8.370 nan 0.000 0.522 526 Q N -0.862 118.954 119.800 0.026 0.000 2.198 526 Q HA 0.151 4.491 4.340 -0.000 0.000 0.209 526 Q C -0.638 175.219 176.000 -0.239 0.000 0.848 526 Q CA -0.196 55.583 55.803 -0.040 0.000 0.974 526 Q CB 0.458 29.214 28.738 0.031 0.000 1.115 526 Q HN 0.338 nan 8.270 nan 0.000 0.494 527 Y N -0.733 119.410 120.300 -0.261 0.000 2.457 527 Y HA 0.389 4.939 4.550 -0.000 0.000 0.333 527 Y C -0.698 174.971 175.900 -0.385 0.000 1.119 527 Y CA -0.861 57.124 58.100 -0.191 0.000 1.143 527 Y CB 1.181 39.501 38.460 -0.235 0.000 1.230 527 Y HN -0.004 nan 8.280 nan 0.000 0.469 528 W N 3.237 124.692 121.300 0.257 0.000 2.839 528 W HA 0.628 5.288 4.660 -0.000 0.000 0.334 528 W C -1.594 175.085 176.519 0.266 0.000 1.064 528 W CA -0.678 56.781 57.345 0.189 0.000 1.236 528 W CB 1.155 30.645 29.460 0.050 0.000 1.405 528 W HN 0.160 nan 8.180 nan 0.000 0.478 529 L N 4.702 126.176 121.223 0.418 0.000 2.281 529 L HA 0.442 4.782 4.340 -0.000 0.000 0.285 529 L C -0.119 176.928 176.870 0.295 0.000 1.074 529 L CA -0.458 54.604 54.840 0.370 0.000 0.817 529 L CB 0.350 42.563 42.059 0.256 0.000 1.168 529 L HN 0.327 nan 8.230 nan 0.000 0.434 530 I N 3.943 124.687 120.570 0.291 0.000 2.330 530 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 530 I C -0.199 176.024 176.117 0.177 0.000 1.025 530 I CA -0.330 61.038 61.300 0.114 0.000 1.197 530 I CB 0.983 38.854 38.000 -0.215 0.000 1.358 530 I HN 0.622 nan 8.210 nan 0.000 0.467 531 E N 6.129 126.437 120.200 0.179 0.000 2.171 531 E HA 0.433 4.783 4.350 -0.000 0.000 0.271 531 E C -0.532 176.160 176.600 0.153 0.000 0.916 531 E CA -0.946 55.532 56.400 0.129 0.000 0.774 531 E CB 2.279 31.996 29.700 0.029 0.000 1.128 531 E HN 0.401 nan 8.360 nan 0.000 0.403 532 R N 3.062 123.591 120.500 0.049 0.000 2.265 532 R HA 0.169 4.509 4.340 -0.000 0.000 0.314 532 R C -0.298 175.881 176.300 -0.202 0.000 1.053 532 R CA -0.393 55.573 56.100 -0.223 0.000 0.931 532 R CB 0.410 30.583 30.300 -0.211 0.000 1.024 532 R HN 0.484 nan 8.270 nan 0.000 0.457 533 N N 2.292 120.839 118.700 -0.255 0.000 2.413 533 N HA 0.001 4.740 4.740 -0.000 0.000 0.266 533 N C 0.405 175.820 175.510 -0.159 0.000 1.238 533 N CA -0.275 52.687 53.050 -0.146 0.000 0.972 533 N CB 0.787 39.216 38.487 -0.096 0.000 1.210 533 N HN 0.631 nan 8.380 nan 0.000 0.547 534 E N -0.213 119.927 120.200 -0.099 0.000 2.208 534 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 534 E C 0.020 176.568 176.600 -0.087 0.000 0.988 534 E CA 0.820 57.167 56.400 -0.089 0.000 0.828 534 E CB 0.069 29.736 29.700 -0.056 0.000 0.763 534 E HN 0.531 nan 8.360 nan 0.000 0.478 535 D N -0.745 119.602 120.400 -0.088 0.000 2.325 535 D HA -0.037 4.603 4.640 -0.000 0.000 0.234 535 D C -0.267 175.975 176.300 -0.096 0.000 1.122 535 D CA 0.052 54.007 54.000 -0.074 0.000 0.850 535 D CB -0.605 40.159 40.800 -0.060 0.000 0.921 535 D HN 0.120 nan 8.370 nan 0.000 0.513 536 N N -1.207 117.399 118.700 -0.156 0.000 2.863 536 N HA -0.212 4.528 4.740 -0.000 0.000 0.245 536 N C -0.167 175.168 175.510 -0.292 0.000 1.001 536 N CA 1.271 54.190 53.050 -0.218 0.000 0.901 536 N CB -1.385 37.050 38.487 -0.087 0.000 1.124 536 N HN 0.599 nan 8.380 nan 0.000 0.582 537 T N -2.732 111.681 114.554 -0.236 0.000 2.824 537 T HA 0.552 4.902 4.350 -0.000 0.000 0.277 537 T C -0.239 174.261 174.700 -0.333 0.000 0.975 537 T CA -0.246 61.764 62.100 -0.150 0.000 0.966 537 T CB 1.118 69.960 68.868 -0.044 0.000 1.054 537 T HN 0.152 nan 8.240 nan 0.000 0.533 538 Y N -0.893 119.444 120.300 0.063 0.000 2.545 538 Y HA 0.590 5.140 4.550 -0.000 0.000 0.348 538 Y C -0.111 175.872 175.900 0.138 0.000 1.002 538 Y CA -1.588 56.549 58.100 0.062 0.000 1.039 538 Y CB 1.640 40.111 38.460 0.018 0.000 1.271 538 Y HN 0.452 nan 8.280 nan 0.000 0.467 539 I N 3.933 124.657 120.570 0.258 0.000 2.359 539 I HA 0.323 4.493 4.170 -0.000 0.000 0.294 539 I C -0.330 175.890 176.117 0.170 0.000 0.987 539 I CA -0.865 60.567 61.300 0.221 0.000 1.225 539 I CB 1.038 39.081 38.000 0.072 0.000 1.366 539 I HN 0.507 nan 8.210 nan 0.000 0.466 540 I N 6.401 127.060 120.570 0.149 0.000 2.359 540 I HA 0.387 4.557 4.170 -0.000 0.000 0.284 540 I C 0.257 176.503 176.117 0.215 0.000 1.018 540 I CA -0.521 60.807 61.300 0.047 0.000 1.173 540 I CB 0.897 38.721 38.000 -0.294 0.000 1.326 540 I HN 0.492 nan 8.210 nan 0.000 0.462 541 R N 5.955 126.642 120.500 0.312 0.000 2.494 541 R HA 0.291 4.631 4.340 -0.000 0.000 0.305 541 R C -0.299 176.155 176.300 0.256 0.000 0.959 541 R CA -0.653 55.586 56.100 0.231 0.000 0.864 541 R CB 1.356 31.659 30.300 0.006 0.000 1.159 541 R HN 0.620 nan 8.270 nan 0.000 0.446 542 N N 3.643 122.353 118.700 0.017 0.000 2.447 542 N HA -0.141 4.599 4.740 -0.000 0.000 0.263 542 N C 0.539 175.907 175.510 -0.236 0.000 1.226 542 N CA 0.328 53.097 53.050 -0.468 0.000 0.906 542 N CB 0.543 38.700 38.487 -0.550 0.000 1.060 542 N HN 0.652 nan 8.380 nan 0.000 0.468 543 Y N 3.772 123.882 120.300 -0.317 0.000 2.181 543 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 543 Y C 2.170 177.984 175.900 -0.144 0.000 1.146 543 Y CA 1.926 59.924 58.100 -0.170 0.000 1.164 543 Y CB 0.178 38.564 38.460 -0.123 0.000 0.982 543 Y HN 0.737 nan 8.280 nan 0.000 0.515 544 E N -0.425 119.727 120.200 -0.080 0.000 2.190 544 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 544 E C -0.273 176.277 176.600 -0.083 0.000 0.978 544 E CA 0.314 56.664 56.400 -0.083 0.000 0.839 544 E CB 0.169 29.905 29.700 0.060 0.000 0.787 544 E HN 0.375 nan 8.360 nan 0.000 0.473 545 N N 1.033 119.687 118.700 -0.075 0.000 2.776 545 N HA 0.159 4.899 4.740 -0.000 0.000 0.245 545 N C -0.257 175.148 175.510 -0.175 0.000 1.121 545 N CA -0.103 52.919 53.050 -0.046 0.000 0.852 545 N CB 1.150 39.696 38.487 0.098 0.000 1.142 545 N HN 0.062 nan 8.380 nan 0.000 0.514 546 R N 0.603 120.949 120.500 -0.256 0.000 2.276 546 R HA 0.048 4.388 4.340 -0.000 0.000 0.203 546 R C 1.339 177.456 176.300 -0.305 0.000 1.017 546 R CA 0.584 56.433 56.100 -0.418 0.000 1.010 546 R CB 0.299 30.138 30.300 -0.768 0.000 0.900 546 R HN 0.289 nan 8.270 nan 0.000 0.469 547 K N 0.266 120.532 120.400 -0.224 0.000 2.365 547 K HA 0.014 4.334 4.320 -0.000 0.000 0.199 547 K C 0.444 177.059 176.600 0.025 0.000 1.045 547 K CA 0.584 56.810 56.287 -0.102 0.000 0.962 547 K CB 0.269 32.617 32.500 -0.252 0.000 0.759 547 K HN 0.016 nan 8.250 nan 0.000 0.469 548 I N 2.235 122.712 120.570 -0.154 0.000 2.331 548 I HA 0.116 4.286 4.170 -0.000 0.000 0.292 548 I C 0.164 176.225 176.117 -0.094 0.000 0.998 548 I CA -0.633 60.495 61.300 -0.287 0.000 1.267 548 I CB 0.981 38.470 38.000 -0.851 0.000 1.386 548 I HN -0.221 nan 8.210 nan 0.000 0.476 549 V N 4.831 124.764 119.914 0.032 0.000 3.040 549 V HA 0.559 4.679 4.120 -0.000 0.000 0.312 549 V C -0.421 175.766 176.094 0.155 0.000 1.115 549 V CA -1.230 61.167 62.300 0.162 0.000 0.998 549 V CB 2.134 34.088 31.823 0.220 0.000 1.042 549 V HN 0.374 nan 8.190 nan 0.000 0.433 550 L N 3.250 124.537 121.223 0.108 0.000 2.513 550 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 550 L C 0.141 177.239 176.870 0.380 0.000 1.187 550 L CA 1.249 56.102 54.840 0.023 0.000 0.895 550 L CB -0.354 41.437 42.059 -0.446 0.000 1.147 550 L HN 0.970 nan 8.230 nan 0.000 0.483 551 D N 3.928 124.528 120.400 0.335 0.000 2.855 551 D HA 0.134 4.774 4.640 -0.000 0.000 0.241 551 D C -1.261 175.208 176.300 0.281 0.000 1.277 551 D CA -0.674 53.499 54.000 0.288 0.000 0.918 551 D CB 1.729 42.633 40.800 0.174 0.000 1.462 551 D HN 0.268 nan 8.370 nan 0.000 0.559 552 L N 3.672 125.044 121.223 0.247 0.000 2.385 552 L HA 0.216 4.555 4.340 -0.000 0.000 0.281 552 L C 0.236 177.133 176.870 0.045 0.000 1.106 552 L CA 0.148 55.090 54.840 0.168 0.000 0.856 552 L CB 0.694 42.784 42.059 0.052 0.000 1.186 552 L HN 0.342 nan 8.230 nan 0.000 0.453 553 S N 5.791 121.526 115.700 0.059 0.000 2.737 553 S HA -0.036 4.434 4.470 -0.000 0.000 0.315 553 S C 0.963 175.544 174.600 -0.031 0.000 1.236 553 S CA 0.460 58.664 58.200 0.006 0.000 1.093 553 S CB -0.487 62.743 63.200 0.050 0.000 0.832 553 S HN 0.909 nan 8.310 nan 0.000 0.507 554 N N 3.019 121.668 118.700 -0.085 0.000 2.713 554 N HA -0.208 4.532 4.740 -0.000 0.000 0.251 554 N C 0.713 176.180 175.510 -0.072 0.000 1.117 554 N CA 1.398 54.399 53.050 -0.081 0.000 0.770 554 N CB -1.793 36.665 38.487 -0.049 0.000 1.137 554 N HN 1.337 nan 8.380 nan 0.000 0.566 555 G N -0.346 108.409 108.800 -0.074 0.000 2.283 555 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.280 555 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.280 555 G C -0.012 174.848 174.900 -0.067 0.000 1.029 555 G CA 0.921 45.973 45.100 -0.079 0.000 0.840 555 G HN 0.877 nan 8.290 nan 0.000 0.505 556 S N -0.517 115.154 115.700 -0.049 0.000 2.442 556 S HA 0.647 5.117 4.470 -0.000 0.000 0.297 556 S C 1.245 175.821 174.600 -0.041 0.000 1.131 556 S CA 0.620 58.795 58.200 -0.043 0.000 1.092 556 S CB 1.145 64.327 63.200 -0.030 0.000 0.998 556 S HN 1.073 nan 8.310 nan 0.000 0.478 557 T N 0.943 115.464 114.554 -0.055 0.000 3.214 557 T HA 0.199 4.549 4.350 -0.000 0.000 0.264 557 T C 0.650 175.294 174.700 -0.092 0.000 1.012 557 T CA -0.268 61.795 62.100 -0.061 0.000 0.901 557 T CB -0.240 68.590 68.868 -0.062 0.000 1.070 557 T HN 0.593 nan 8.240 nan 0.000 0.561 558 T N 2.048 116.547 114.554 -0.092 0.000 2.870 558 T HA 0.133 4.483 4.350 -0.000 0.000 0.300 558 T C -0.202 174.376 174.700 -0.204 0.000 0.989 558 T CA -0.481 61.540 62.100 -0.131 0.000 1.139 558 T CB -0.160 68.653 68.868 -0.091 0.000 0.920 558 T HN 0.236 nan 8.240 nan 0.000 0.537 559 D N 3.582 123.764 120.400 -0.363 0.000 2.581 559 D HA 0.237 4.877 4.640 -0.000 0.000 0.238 559 D C 1.459 177.508 176.300 -0.417 0.000 1.145 559 D CA 1.941 55.514 54.000 -0.713 0.000 0.866 559 D CB 0.207 40.290 40.800 -1.196 0.000 1.151 559 D HN 1.021 nan 8.370 nan 0.000 0.500 560 G N 2.458 111.060 108.800 -0.331 0.000 2.194 560 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.236 560 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.236 560 G C 0.569 175.515 174.900 0.076 0.000 0.987 560 G CA 0.010 45.049 45.100 -0.101 0.000 0.635 560 G HN 0.619 nan 8.290 nan 0.000 0.520 561 N N 1.318 120.029 118.700 0.017 0.000 2.454 561 N HA 0.486 5.226 4.740 -0.000 0.000 0.254 561 N C 0.985 176.584 175.510 0.148 0.000 1.228 561 N CA 1.226 54.319 53.050 0.072 0.000 0.900 561 N CB 0.572 39.075 38.487 0.027 0.000 1.089 561 N HN 0.640 nan 8.380 nan 0.000 0.449 562 G N 1.335 110.224 108.800 0.147 0.000 2.504 562 G HA2 0.533 4.493 3.960 -0.000 0.000 0.288 562 G HA3 0.533 4.493 3.960 -0.000 0.000 0.288 562 G C -0.783 174.214 174.900 0.162 0.000 1.182 562 G CA -0.436 44.766 45.100 0.171 0.000 0.894 562 G HN 0.493 nan 8.290 nan 0.000 0.521 563 L N -0.449 120.871 121.223 0.161 0.000 2.331 563 L HA 0.563 4.903 4.340 -0.000 0.000 0.275 563 L C 0.101 177.077 176.870 0.178 0.000 1.022 563 L CA -0.334 54.600 54.840 0.157 0.000 0.812 563 L CB 1.832 43.942 42.059 0.086 0.000 1.257 563 L HN 0.301 nan 8.230 nan 0.000 0.435 564 L N 0.914 122.257 121.223 0.201 0.000 2.333 564 L HA 0.687 5.027 4.340 -0.000 0.000 0.269 564 L C 0.464 177.485 176.870 0.252 0.000 1.010 564 L CA -0.870 54.135 54.840 0.275 0.000 0.818 564 L CB 1.676 43.920 42.059 0.307 0.000 1.306 564 L HN 0.679 nan 8.230 nan 0.000 0.430 565 G N 1.079 110.049 108.800 0.284 0.000 2.393 565 G HA2 0.473 4.433 3.960 -0.000 0.000 0.311 565 G HA3 0.473 4.433 3.960 -0.000 0.000 0.311 565 G C -1.319 173.584 174.900 0.005 0.000 1.067 565 G CA 0.003 44.989 45.100 -0.190 0.000 1.000 565 G HN 0.278 nan 8.290 nan 0.000 0.422 566 F N 1.110 121.007 119.950 -0.088 0.000 2.561 566 F HA 0.464 4.991 4.527 -0.000 0.000 0.321 566 F C 0.481 176.279 175.800 -0.004 0.000 1.065 566 F CA -1.254 56.750 58.000 0.006 0.000 0.934 566 F CB 2.075 41.116 39.000 0.068 0.000 1.215 566 F HN 0.509 nan 8.300 nan 0.000 0.471 567 E N 3.428 123.463 120.200 -0.276 0.000 2.529 567 E HA -0.030 4.320 4.350 -0.000 0.000 0.259 567 E C -0.893 175.863 176.600 0.260 0.000 0.966 567 E CA -0.169 56.228 56.400 -0.004 0.000 0.937 567 E CB 0.350 29.996 29.700 -0.090 0.000 0.923 567 E HN 0.447 nan 8.360 nan 0.000 0.468 568 F N 6.053 126.135 119.950 0.221 0.000 2.541 568 F HA 0.069 4.596 4.527 -0.000 0.000 0.378 568 F C 0.370 176.238 175.800 0.114 0.000 1.068 568 F CA 0.258 58.329 58.000 0.118 0.000 1.199 568 F CB 0.357 39.440 39.000 0.138 0.000 1.091 568 F HN 0.619 nan 8.300 nan 0.000 0.555 569 H N 2.820 121.622 119.070 -0.446 0.000 3.457 569 H HA 0.350 4.906 4.556 -0.000 0.000 0.255 569 H C 1.366 176.244 175.328 -0.750 0.000 1.082 569 H CA -0.232 55.484 56.048 -0.554 0.000 1.189 569 H CB -0.037 29.632 29.762 -0.154 0.000 1.511 569 H HN 0.785 nan 8.280 nan 0.000 0.527 570 G N 0.328 108.738 108.800 -0.651 0.000 2.179 570 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 570 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 570 G C 0.862 175.768 174.900 0.011 0.000 0.977 570 G CA 0.278 45.229 45.100 -0.247 0.000 0.641 570 G HN 0.922 nan 8.290 nan 0.000 0.533 571 G N -0.660 108.284 108.800 0.240 0.000 2.716 571 G HA2 0.420 4.380 3.960 -0.000 0.000 0.251 571 G HA3 0.420 4.380 3.960 -0.000 0.000 0.251 571 G C 1.311 176.232 174.900 0.035 0.000 1.224 571 G CA 0.065 45.249 45.100 0.141 0.000 0.891 571 G HN 0.763 nan 8.290 nan 0.000 0.561 572 I N 0.361 120.909 120.570 -0.035 0.000 2.335 572 I HA -0.186 3.984 4.170 -0.000 0.000 0.251 572 I C 2.187 178.188 176.117 -0.192 0.000 1.129 572 I CA 1.504 62.739 61.300 -0.107 0.000 1.402 572 I CB -0.005 37.932 38.000 -0.105 0.000 1.069 572 I HN 0.628 nan 8.210 nan 0.000 0.424 573 N N 0.553 119.166 118.700 -0.144 0.000 2.515 573 N HA -0.155 4.585 4.740 -0.000 0.000 0.191 573 N C 0.982 176.328 175.510 -0.273 0.000 1.182 573 N CA 0.527 53.438 53.050 -0.231 0.000 0.879 573 N CB -0.045 38.370 38.487 -0.120 0.000 0.984 573 N HN 0.589 nan 8.380 nan 0.000 0.453 574 Q N -0.297 119.374 119.800 -0.215 0.000 2.189 574 Q HA 0.257 4.597 4.340 -0.000 0.000 0.223 574 Q C -0.336 175.577 176.000 -0.145 0.000 0.828 574 Q CA -0.215 55.539 55.803 -0.082 0.000 0.967 574 Q CB 1.001 29.738 28.738 -0.001 0.000 1.139 574 Q HN 0.271 nan 8.270 nan 0.000 0.497 575 R N -0.074 120.176 120.500 -0.418 0.000 2.460 575 R HA 0.421 4.761 4.340 -0.000 0.000 0.303 575 R C -1.449 174.538 176.300 -0.522 0.000 0.968 575 R CA -0.217 55.724 56.100 -0.265 0.000 0.889 575 R CB 1.073 31.289 30.300 -0.140 0.000 1.123 575 R HN -0.036 nan 8.270 nan 0.000 0.455 576 W N 3.032 124.364 121.300 0.054 0.000 2.883 576 W HA 0.464 5.124 4.660 -0.000 0.000 0.335 576 W C -0.457 176.140 176.519 0.130 0.000 1.083 576 W CA -0.597 56.780 57.345 0.053 0.000 1.233 576 W CB 1.096 30.554 29.460 -0.004 0.000 1.412 576 W HN 0.287 nan 8.180 nan 0.000 0.490 577 I N 4.133 124.898 120.570 0.325 0.000 2.371 577 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 577 I C -0.148 176.123 176.117 0.257 0.000 1.028 577 I CA -0.401 61.064 61.300 0.276 0.000 1.345 577 I CB 0.462 38.569 38.000 0.179 0.000 1.407 577 I HN 0.218 nan 8.210 nan 0.000 0.501 578 I N 7.450 128.159 120.570 0.233 0.000 2.359 578 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 578 I C -0.105 176.130 176.117 0.196 0.000 1.018 578 I CA -0.435 60.894 61.300 0.048 0.000 1.173 578 I CB 0.853 38.602 38.000 -0.418 0.000 1.326 578 I HN 0.491 nan 8.210 nan 0.000 0.462 579 K N 8.036 128.614 120.400 0.297 0.000 2.323 579 K HA 0.510 4.829 4.320 -0.000 0.000 0.259 579 K C -2.607 174.218 176.600 0.376 0.000 0.947 579 K CA -1.895 54.583 56.287 0.319 0.000 0.819 579 K CB 1.838 34.478 32.500 0.234 0.000 1.109 579 K HN 0.092 nan 8.250 nan 0.000 0.429 580 P HA -0.093 nan 4.420 nan 0.000 0.261 580 P C -1.321 176.007 177.300 0.046 0.000 1.173 580 P CA 0.444 63.515 63.100 -0.049 0.000 0.760 580 P CB 0.153 31.853 31.700 0.001 0.000 0.783 581 F N 2.653 122.494 119.950 -0.183 0.000 2.547 581 F HA 0.527 5.054 4.527 -0.000 0.000 0.316 581 F C -0.449 175.236 175.800 -0.192 0.000 1.121 581 F CA -0.389 57.514 58.000 -0.162 0.000 0.911 581 F CB 1.623 40.523 39.000 -0.166 0.000 1.179 581 F HN 0.088 nan 8.300 nan 0.000 0.443 582 S N 5.117 120.487 115.700 -0.550 0.000 2.561 582 S HA 0.412 4.882 4.470 -0.000 0.000 0.303 582 S C 0.285 174.654 174.600 -0.384 0.000 1.110 582 S CA -0.451 57.577 58.200 -0.287 0.000 1.034 582 S CB 0.652 63.733 63.200 -0.198 0.000 1.010 582 S HN 0.634 nan 8.310 nan 0.000 0.482 583 F N 2.822 122.802 119.950 0.049 0.000 2.293 583 F HA 0.105 4.632 4.527 -0.000 0.000 0.297 583 F C 1.793 177.612 175.800 0.030 0.000 1.089 583 F CA 0.548 58.650 58.000 0.170 0.000 1.377 583 F CB 0.070 39.285 39.000 0.359 0.000 1.051 583 F HN 0.602 nan 8.300 nan 0.000 0.511 584 N N 0.094 118.687 118.700 -0.179 0.000 3.188 584 N HA -0.000 4.740 4.740 -0.000 0.000 0.279 584 N C 0.646 176.076 175.510 -0.135 0.000 1.213 584 N CA 0.541 53.342 53.050 -0.415 0.000 1.138 584 N CB 0.250 37.944 38.487 -1.322 0.000 1.417 584 N HN 0.135 nan 8.380 nan 0.000 0.526 585 S N 0.748 116.416 115.700 -0.053 0.000 2.406 585 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 585 S C 1.168 175.666 174.600 -0.170 0.000 1.020 585 S CA 0.209 58.303 58.200 -0.175 0.000 0.965 585 S CB -0.439 62.655 63.200 -0.177 0.000 0.798 585 S HN 0.681 nan 8.310 nan 0.000 0.488 586 I N -0.256 120.218 120.570 -0.159 0.000 2.797 586 I HA 0.552 4.722 4.170 -0.000 0.000 0.307 586 I C -0.532 175.555 176.117 -0.050 0.000 1.033 586 I CA -1.389 59.778 61.300 -0.222 0.000 1.071 586 I CB 1.823 39.486 38.000 -0.562 0.000 1.255 586 I HN 0.141 nan 8.210 nan 0.000 0.445 587 Q N 2.183 121.972 119.800 -0.018 0.000 2.260 587 Q HA 0.319 4.658 4.340 -0.000 0.000 0.242 587 Q C -1.151 174.942 176.000 0.155 0.000 0.932 587 Q CA -0.729 55.118 55.803 0.074 0.000 0.891 587 Q CB 1.313 30.091 28.738 0.066 0.000 1.222 587 Q HN 0.556 nan 8.270 nan 0.000 0.453 588 D N 0.941 121.475 120.400 0.224 0.000 2.472 588 D HA 0.449 5.089 4.640 -0.000 0.000 0.237 588 D C 0.119 176.566 176.300 0.245 0.000 1.141 588 D CA 1.372 55.537 54.000 0.275 0.000 0.875 588 D CB 0.995 41.932 40.800 0.229 0.000 1.192 588 D HN 0.829 nan 8.370 nan 0.000 0.450 589 G N -0.038 108.942 108.800 0.299 0.000 2.317 589 G HA2 0.281 4.241 3.960 -0.000 0.000 0.293 589 G HA3 0.281 4.241 3.960 -0.000 0.000 0.293 589 G C -1.383 173.630 174.900 0.189 0.000 1.287 589 G CA -0.941 44.281 45.100 0.203 0.000 0.850 589 G HN 0.384 nan 8.290 nan 0.000 0.515 590 I N 0.606 121.212 120.570 0.059 0.000 2.353 590 I HA 0.557 4.727 4.170 -0.000 0.000 0.293 590 I C -0.847 175.235 176.117 -0.059 0.000 0.992 590 I CA -0.566 60.784 61.300 0.083 0.000 1.268 590 I CB 1.274 39.310 38.000 0.060 0.000 1.387 590 I HN 0.432 nan 8.210 nan 0.000 0.478 591 Y N 3.745 124.082 120.300 0.061 0.000 2.576 591 Y HA 0.451 5.001 4.550 -0.000 0.000 0.346 591 Y C -0.320 175.538 175.900 -0.070 0.000 1.018 591 Y CA -0.782 57.266 58.100 -0.086 0.000 1.050 591 Y CB 1.989 40.207 38.460 -0.403 0.000 1.280 591 Y HN 0.435 nan 8.280 nan 0.000 0.474 592 Q N 1.590 121.422 119.800 0.053 0.000 2.345 592 Q HA 0.501 4.841 4.340 -0.000 0.000 0.268 592 Q C -1.756 174.158 176.000 -0.144 0.000 1.054 592 Q CA -0.932 54.914 55.803 0.071 0.000 0.835 592 Q CB 2.414 31.214 28.738 0.103 0.000 1.339 592 Q HN 0.516 nan 8.270 nan 0.000 0.447 593 F N 1.929 121.938 119.950 0.098 0.000 2.332 593 F HA 0.409 4.936 4.527 -0.000 0.000 0.368 593 F C 0.083 176.146 175.800 0.438 0.000 1.110 593 F CA -0.547 57.518 58.000 0.108 0.000 1.087 593 F CB 0.728 39.447 39.000 -0.468 0.000 1.235 593 F HN 0.235 nan 8.300 nan 0.000 0.470 594 M N 2.928 122.889 119.600 0.601 0.000 2.264 594 M HA 0.286 4.766 4.480 -0.000 0.000 0.352 594 M C 0.340 176.906 176.300 0.442 0.000 1.173 594 M CA -0.775 54.815 55.300 0.485 0.000 1.075 594 M CB 1.605 34.429 32.600 0.372 0.000 1.621 594 M HN 0.639 nan 8.290 nan 0.000 0.457 595 T N -0.247 114.387 114.554 0.134 0.000 2.930 595 T HA 0.156 4.506 4.350 -0.000 0.000 0.306 595 T C 1.074 175.724 174.700 -0.083 0.000 1.045 595 T CA -0.860 61.065 62.100 -0.292 0.000 1.134 595 T CB 0.852 69.490 68.868 -0.382 0.000 0.961 595 T HN 0.449 nan 8.240 nan 0.000 0.545 596 V N 3.110 122.888 119.914 -0.226 0.000 2.407 596 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 596 V C 2.445 178.544 176.094 0.009 0.000 1.055 596 V CA 1.627 63.854 62.300 -0.122 0.000 1.049 596 V CB -0.694 30.926 31.823 -0.339 0.000 0.662 596 V HN 0.889 nan 8.190 nan 0.000 0.455 597 I N -0.157 120.368 120.570 -0.074 0.000 2.353 597 I HA -0.059 4.111 4.170 -0.000 0.000 0.248 597 I C 0.969 177.094 176.117 0.012 0.000 1.119 597 I CA 0.962 62.242 61.300 -0.033 0.000 1.417 597 I CB 0.106 38.063 38.000 -0.073 0.000 1.078 597 I HN 0.323 nan 8.210 nan 0.000 0.421 598 N N 0.305 119.012 118.700 0.012 0.000 2.607 598 N HA 0.145 4.885 4.740 -0.000 0.000 0.271 598 N C 0.130 175.687 175.510 0.079 0.000 1.142 598 N CA -0.159 52.918 53.050 0.046 0.000 0.810 598 N CB 1.109 39.612 38.487 0.027 0.000 1.306 598 N HN 0.060 nan 8.380 nan 0.000 0.536 599 Q N 0.563 120.438 119.800 0.125 0.000 2.364 599 Q HA -0.066 4.274 4.340 -0.000 0.000 0.207 599 Q C 0.010 176.089 176.000 0.132 0.000 0.970 599 Q CA 0.979 56.884 55.803 0.170 0.000 0.888 599 Q CB 0.329 29.190 28.738 0.204 0.000 0.951 599 Q HN 0.541 nan 8.270 nan 0.000 0.469 600 D N 0.173 120.630 120.400 0.095 0.000 2.310 600 D HA -0.025 4.615 4.640 -0.000 0.000 0.212 600 D C 0.079 176.409 176.300 0.049 0.000 0.965 600 D CA 0.774 54.812 54.000 0.063 0.000 0.879 600 D CB 0.162 40.995 40.800 0.054 0.000 0.921 600 D HN 0.185 nan 8.370 nan 0.000 0.510 601 L N 1.311 122.577 121.223 0.071 0.000 2.275 601 L HA 0.379 4.719 4.340 -0.000 0.000 0.288 601 L C -0.095 176.870 176.870 0.157 0.000 1.046 601 L CA -0.926 53.964 54.840 0.083 0.000 0.805 601 L CB 1.111 43.206 42.059 0.059 0.000 1.193 601 L HN -0.136 nan 8.230 nan 0.000 0.426 602 I N 0.646 121.324 120.570 0.180 0.000 3.002 602 I HA 0.782 4.952 4.170 -0.000 0.000 0.310 602 I C 0.045 176.356 176.117 0.323 0.000 1.087 602 I CA -0.976 60.498 61.300 0.290 0.000 1.017 602 I CB 1.645 39.755 38.000 0.182 0.000 1.226 602 I HN 0.466 nan 8.210 nan 0.000 0.443 603 A N 1.869 124.900 122.820 0.351 0.000 2.444 603 A HA 0.429 4.748 4.320 -0.000 0.000 0.273 603 A C -0.492 177.275 177.584 0.305 0.000 1.136 603 A CA 0.055 52.190 52.037 0.163 0.000 0.799 603 A CB -0.419 18.358 19.000 -0.371 0.000 1.081 603 A HN 0.742 nan 8.150 nan 0.000 0.509 604 D N 2.963 123.511 120.400 0.247 0.000 2.502 604 D HA 0.305 4.945 4.640 -0.000 0.000 0.249 604 D C -1.053 175.392 176.300 0.242 0.000 1.092 604 D CA -0.526 53.617 54.000 0.239 0.000 0.839 604 D CB 1.449 42.326 40.800 0.128 0.000 1.264 604 D HN 0.357 nan 8.370 nan 0.000 0.511 605 L N 4.917 126.294 121.223 0.258 0.000 2.515 605 L HA 0.218 4.558 4.340 -0.000 0.000 0.281 605 L C 0.605 177.521 176.870 0.077 0.000 1.131 605 L CA 0.131 55.079 54.840 0.180 0.000 0.905 605 L CB -0.202 41.893 42.059 0.061 0.000 1.246 605 L HN 0.420 nan 8.230 nan 0.000 0.463 606 T N 0.213 114.809 114.554 0.070 0.000 2.770 606 T HA 0.130 4.480 4.350 -0.000 0.000 0.281 606 T C 0.921 175.603 174.700 -0.030 0.000 0.981 606 T CA 0.134 62.247 62.100 0.022 0.000 0.955 606 T CB 1.029 69.911 68.868 0.024 0.000 1.060 606 T HN 0.539 nan 8.240 nan 0.000 0.531 607 T N -0.131 114.389 114.554 -0.056 0.000 3.086 607 T HA 0.143 4.493 4.350 -0.000 0.000 0.250 607 T C 0.613 175.221 174.700 -0.152 0.000 1.074 607 T CA -0.328 61.700 62.100 -0.119 0.000 0.988 607 T CB -0.848 67.970 68.868 -0.084 0.000 0.988 607 T HN 0.651 nan 8.240 nan 0.000 0.530 608 N N 2.356 120.998 118.700 -0.098 0.000 2.415 608 N HA 0.221 4.960 4.740 -0.000 0.000 0.246 608 N C 0.578 176.028 175.510 -0.101 0.000 1.078 608 N CA 0.130 53.127 53.050 -0.087 0.000 0.942 608 N CB -0.146 38.317 38.487 -0.040 0.000 1.140 608 N HN 0.241 nan 8.380 nan 0.000 0.501 609 N N 2.978 121.584 118.700 -0.157 0.000 1.241 609 N HA -0.346 4.394 4.740 -0.000 0.000 0.135 609 N C -0.756 174.523 175.510 -0.386 0.000 0.723 609 N CA 2.103 55.042 53.050 -0.185 0.000 0.950 609 N CB -0.972 37.504 38.487 -0.018 0.000 1.215 609 N HN 0.649 nan 8.380 nan 0.000 0.520 610 Y N -0.256 120.090 120.300 0.078 0.000 2.715 610 Y HA 0.277 4.827 4.550 -0.000 0.000 0.255 610 Y C 0.250 176.249 175.900 0.164 0.000 1.139 610 Y CA 0.223 58.390 58.100 0.111 0.000 1.151 610 Y CB 0.262 38.827 38.460 0.174 0.000 1.201 610 Y HN 0.430 nan 8.280 nan 0.000 0.556 611 T N -0.882 113.788 114.554 0.193 0.000 2.907 611 T HA 0.502 4.852 4.350 -0.000 0.000 0.298 611 T C -0.067 174.719 174.700 0.144 0.000 1.017 611 T CA -0.291 61.920 62.100 0.185 0.000 1.118 611 T CB 0.812 69.742 68.868 0.103 0.000 0.948 611 T HN 0.191 nan 8.240 nan 0.000 0.531 612 I N 2.789 123.438 120.570 0.131 0.000 2.353 612 I HA 0.622 4.792 4.170 -0.000 0.000 0.293 612 I C 0.472 176.625 176.117 0.061 0.000 0.992 612 I CA -0.718 60.629 61.300 0.078 0.000 1.268 612 I CB 1.253 39.225 38.000 -0.045 0.000 1.387 612 I HN 0.964 nan 8.210 nan 0.000 0.478 613 A N 3.437 126.308 122.820 0.084 0.000 2.527 613 A HA 0.752 5.072 4.320 -0.000 0.000 0.293 613 A C -0.320 177.344 177.584 0.132 0.000 1.117 613 A CA -0.650 51.446 52.037 0.097 0.000 0.723 613 A CB 1.475 20.520 19.000 0.076 0.000 1.313 613 A HN 0.662 nan 8.150 nan 0.000 0.411 614 T N 0.015 114.655 114.554 0.144 0.000 2.761 614 T HA 0.586 4.936 4.350 -0.000 0.000 0.296 614 T C -0.321 174.439 174.700 0.100 0.000 0.934 614 T CA -0.117 62.076 62.100 0.156 0.000 1.091 614 T CB -0.023 68.918 68.868 0.121 0.000 0.896 614 T HN 0.576 nan 8.240 nan 0.000 0.515 615 K N 1.984 122.443 120.400 0.099 0.000 2.477 615 K HA 0.450 4.770 4.320 -0.000 0.000 0.255 615 K C -0.306 176.318 176.600 0.040 0.000 0.952 615 K CA -0.924 55.398 56.287 0.058 0.000 0.826 615 K CB 1.948 34.478 32.500 0.050 0.000 1.331 615 K HN 0.582 nan 8.250 nan 0.000 0.437 616 T N 1.950 116.513 114.554 0.015 0.000 2.905 616 T HA -0.080 4.270 4.350 -0.000 0.000 0.299 616 T C 0.183 174.862 174.700 -0.035 0.000 1.024 616 T CA 0.334 62.429 62.100 -0.008 0.000 1.151 616 T CB -0.077 68.778 68.868 -0.021 0.000 0.987 616 T HN 0.436 nan 8.240 nan 0.000 0.535 617 N N 2.538 121.196 118.700 -0.069 0.000 2.520 617 N HA 0.103 4.842 4.740 -0.000 0.000 0.273 617 N C 0.559 175.964 175.510 -0.176 0.000 1.155 617 N CA -0.119 52.831 53.050 -0.166 0.000 0.967 617 N CB 0.446 38.757 38.487 -0.294 0.000 1.092 617 N HN 0.439 nan 8.380 nan 0.000 0.457 618 N N 2.115 120.710 118.700 -0.175 0.000 2.143 618 N HA 0.043 4.783 4.740 -0.000 0.000 0.222 618 N C -0.694 174.835 175.510 0.033 0.000 1.264 618 N CA 0.079 53.092 53.050 -0.063 0.000 0.897 618 N CB 0.243 38.707 38.487 -0.038 0.000 1.092 618 N HN 0.568 nan 8.380 nan 0.000 0.516 619 Y N 0.276 120.498 120.300 -0.129 0.000 4.177 619 Y HA -0.286 4.264 4.550 -0.000 0.000 0.227 619 Y C 0.445 176.307 175.900 -0.063 0.000 1.154 619 Y CA 0.288 58.322 58.100 -0.110 0.000 1.887 619 Y CB -2.508 35.852 38.460 -0.166 0.000 1.594 619 Y HN -0.031 nan 8.280 nan 0.000 0.668 620 S N -1.969 113.741 115.700 0.016 0.000 2.632 620 S HA 0.407 4.877 4.470 -0.000 0.000 0.267 620 S C 1.346 175.914 174.600 -0.053 0.000 1.276 620 S CA -0.327 57.863 58.200 -0.015 0.000 0.998 620 S CB 1.842 65.022 63.200 -0.033 0.000 0.953 620 S HN 0.220 nan 8.310 nan 0.000 0.547 621 S N 2.157 117.809 115.700 -0.080 0.000 2.383 621 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 621 S C 1.905 176.374 174.600 -0.218 0.000 1.030 621 S CA 1.464 59.585 58.200 -0.132 0.000 1.002 621 S CB -0.688 62.427 63.200 -0.142 0.000 0.829 621 S HN 0.912 nan 8.310 nan 0.000 0.467 622 N N 1.164 119.751 118.700 -0.189 0.000 2.571 622 N HA -0.098 4.642 4.740 -0.000 0.000 0.189 622 N C 0.719 176.061 175.510 -0.280 0.000 1.154 622 N CA 0.429 53.331 53.050 -0.247 0.000 0.907 622 N CB -0.213 38.219 38.487 -0.091 0.000 0.977 622 N HN 0.528 nan 8.380 nan 0.000 0.449 623 Q N -0.328 119.363 119.800 -0.182 0.000 2.194 623 Q HA 0.259 4.599 4.340 -0.000 0.000 0.214 623 Q C -0.442 175.565 176.000 0.011 0.000 0.838 623 Q CA 0.017 55.810 55.803 -0.017 0.000 0.972 623 Q CB 0.794 29.527 28.738 -0.009 0.000 1.131 623 Q HN 0.288 nan 8.270 nan 0.000 0.498 624 K N 0.119 120.376 120.400 -0.238 0.000 2.318 624 K HA 0.527 4.847 4.320 -0.000 0.000 0.249 624 K C -1.531 174.845 176.600 -0.372 0.000 0.942 624 K CA -0.552 55.678 56.287 -0.095 0.000 0.808 624 K CB 1.573 34.045 32.500 -0.047 0.000 1.189 624 K HN -0.102 nan 8.250 nan 0.000 0.428 625 W N 0.525 121.879 121.300 0.090 0.000 3.129 625 W HA 0.206 4.865 4.660 -0.000 0.000 0.333 625 W C -0.336 176.260 176.519 0.129 0.000 1.141 625 W CA -0.766 56.643 57.345 0.106 0.000 1.224 625 W CB 1.640 31.213 29.460 0.188 0.000 1.393 625 W HN 0.495 nan 8.180 nan 0.000 0.499 626 T N -0.557 114.172 114.554 0.292 0.000 2.761 626 T HA 0.572 4.922 4.350 -0.000 0.000 0.296 626 T C -0.650 174.222 174.700 0.287 0.000 0.934 626 T CA -0.503 61.749 62.100 0.253 0.000 1.091 626 T CB 0.719 69.683 68.868 0.161 0.000 0.896 626 T HN 0.235 nan 8.240 nan 0.000 0.515 627 V N 4.613 124.720 119.914 0.322 0.000 2.370 627 V HA 0.543 4.663 4.120 -0.000 0.000 0.283 627 V C 0.195 176.495 176.094 0.344 0.000 1.023 627 V CA -0.591 61.873 62.300 0.273 0.000 0.857 627 V CB 1.516 33.367 31.823 0.047 0.000 0.985 627 V HN 1.147 nan 8.190 nan 0.000 0.443 628 T N 4.538 119.311 114.554 0.364 0.000 2.879 628 T HA 0.392 4.742 4.350 -0.000 0.000 0.290 628 T C -0.953 173.879 174.700 0.219 0.000 0.993 628 T CA -0.422 61.857 62.100 0.298 0.000 0.975 628 T CB 1.149 70.121 68.868 0.173 0.000 0.981 628 T HN 0.469 nan 8.240 nan 0.000 0.439 629 Y N 3.490 123.730 120.300 -0.099 0.000 2.359 629 Y HA 0.422 4.972 4.550 -0.000 0.000 0.330 629 Y C 0.290 176.057 175.900 -0.221 0.000 1.143 629 Y CA -0.553 57.235 58.100 -0.521 0.000 1.318 629 Y CB 0.608 38.751 38.460 -0.529 0.000 1.234 629 Y HN 0.539 nan 8.280 nan 0.000 0.522 630 N N 4.478 122.673 118.700 -0.842 0.000 2.417 630 N HA 0.139 4.879 4.740 -0.000 0.000 0.274 630 N C 0.121 175.039 175.510 -0.987 0.000 0.987 630 N CA -0.354 52.305 53.050 -0.653 0.000 0.912 630 N CB 1.081 39.340 38.487 -0.379 0.000 1.177 630 N HN 0.741 nan 8.380 nan 0.000 0.490 631 D N 2.681 122.731 120.400 -0.583 0.000 2.116 631 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 631 D C 1.005 177.089 176.300 -0.359 0.000 0.998 631 D CA 1.792 55.572 54.000 -0.367 0.000 0.836 631 D CB 0.433 41.144 40.800 -0.149 0.000 0.951 631 D HN 0.521 nan 8.370 nan 0.000 0.449 632 K N 0.232 120.418 120.400 -0.356 0.000 2.103 632 K HA 0.039 4.359 4.320 -0.000 0.000 0.204 632 K C 1.891 178.238 176.600 -0.422 0.000 1.052 632 K CA 0.787 56.884 56.287 -0.316 0.000 0.945 632 K CB 0.177 32.520 32.500 -0.261 0.000 0.722 632 K HN 0.015 nan 8.250 nan 0.000 0.443 633 K N 0.170 120.194 120.400 -0.627 0.000 2.314 633 K HA 0.137 4.457 4.320 -0.000 0.000 0.198 633 K C -0.079 176.028 176.600 -0.822 0.000 1.045 633 K CA 0.125 55.860 56.287 -0.920 0.000 0.988 633 K CB 0.288 31.994 32.500 -1.324 0.000 0.783 633 K HN 0.063 nan 8.250 nan 0.000 0.484 634 R N 0.281 120.358 120.500 -0.704 0.000 3.322 634 R HA -0.205 4.135 4.340 -0.000 0.000 0.253 634 R C -0.254 175.856 176.300 -0.317 0.000 0.987 634 R CA 0.493 56.266 56.100 -0.545 0.000 0.666 634 R CB -1.929 27.970 30.300 -0.669 0.000 1.072 634 R HN 0.346 nan 8.270 nan 0.000 0.447 635 A N -0.384 122.181 122.820 -0.425 0.000 2.588 635 A HA 0.737 5.057 4.320 -0.000 0.000 0.290 635 A C -1.513 176.076 177.584 0.009 0.000 1.136 635 A CA -0.829 51.210 52.037 0.004 0.000 0.681 635 A CB 1.014 19.977 19.000 -0.063 0.000 1.282 635 A HN 0.187 nan 8.150 nan 0.000 0.421 636 Y N 0.359 120.856 120.300 0.329 0.000 2.420 636 Y HA 0.595 5.145 4.550 -0.000 0.000 0.334 636 Y C 0.439 176.427 175.900 0.146 0.000 1.094 636 Y CA -0.297 57.971 58.100 0.281 0.000 1.126 636 Y CB 1.936 40.566 38.460 0.284 0.000 1.217 636 Y HN 0.671 nan 8.280 nan 0.000 0.462 637 K N 3.122 123.595 120.400 0.122 0.000 2.185 637 K HA 0.566 4.886 4.320 -0.000 0.000 0.269 637 K C -1.320 175.319 176.600 0.065 0.000 0.987 637 K CA -0.340 55.867 56.287 -0.134 0.000 0.865 637 K CB 0.580 32.905 32.500 -0.292 0.000 1.090 637 K HN 0.642 nan 8.250 nan 0.000 0.450 638 I N 5.569 126.152 120.570 0.021 0.000 2.460 638 I HA 0.283 4.453 4.170 -0.000 0.000 0.277 638 I C -0.253 175.953 176.117 0.148 0.000 1.057 638 I CA -0.571 60.746 61.300 0.030 0.000 1.179 638 I CB 0.987 38.798 38.000 -0.315 0.000 1.329 638 I HN 0.403 nan 8.210 nan 0.000 0.478 639 R N 3.646 124.284 120.500 0.231 0.000 2.368 639 R HA 0.298 4.638 4.340 -0.000 0.000 0.302 639 R C 0.130 176.587 176.300 0.262 0.000 1.002 639 R CA -0.777 55.450 56.100 0.211 0.000 0.929 639 R CB 1.170 31.526 30.300 0.095 0.000 1.073 639 R HN 0.503 nan 8.270 nan 0.000 0.464 640 N N 2.325 121.045 118.700 0.034 0.000 2.492 640 N HA -0.066 4.674 4.740 -0.000 0.000 0.260 640 N C 0.641 175.960 175.510 -0.319 0.000 1.215 640 N CA -0.047 52.665 53.050 -0.564 0.000 0.923 640 N CB 0.979 39.044 38.487 -0.702 0.000 1.092 640 N HN 0.403 nan 8.380 nan 0.000 0.448 641 L N 3.924 124.911 121.223 -0.394 0.000 2.095 641 L HA -0.085 4.255 4.340 -0.000 0.000 0.204 641 L C 2.507 179.256 176.870 -0.202 0.000 1.080 641 L CA 1.640 56.357 54.840 -0.206 0.000 0.759 641 L CB -0.690 41.271 42.059 -0.163 0.000 0.914 641 L HN 0.713 nan 8.230 nan 0.000 0.439 642 Q N -0.477 119.158 119.800 -0.276 0.000 2.020 642 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 642 Q C 0.316 176.079 176.000 -0.394 0.000 0.982 642 Q CA 1.665 57.270 55.803 -0.330 0.000 0.838 642 Q CB -0.037 28.490 28.738 -0.351 0.000 0.899 642 Q HN 0.539 nan 8.270 nan 0.000 0.423 643 H N -0.405 118.585 119.070 -0.133 0.000 2.572 643 H HA 0.420 4.976 4.556 -0.000 0.000 0.248 643 H C 0.101 175.362 175.328 -0.113 0.000 1.397 643 H CA 0.251 56.261 56.048 -0.063 0.000 1.319 643 H CB 1.012 30.679 29.762 -0.159 0.000 1.452 643 H HN 0.420 nan 8.280 nan 0.000 0.535 644 A N 2.503 125.392 122.820 0.115 0.000 2.019 644 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 644 A C 1.951 179.594 177.584 0.098 0.000 1.164 644 A CA 1.182 53.264 52.037 0.074 0.000 0.644 644 A CB -0.576 18.465 19.000 0.069 0.000 0.805 644 A HN 0.727 nan 8.150 nan 0.000 0.449 645 H N -0.717 118.364 119.070 0.020 0.000 2.561 645 H HA 0.193 4.749 4.556 -0.000 0.000 0.278 645 H C 0.133 175.449 175.328 -0.020 0.000 1.014 645 H CA 0.294 56.343 56.048 0.002 0.000 1.211 645 H CB -0.783 28.981 29.762 0.003 0.000 1.365 645 H HN 0.390 nan 8.280 nan 0.000 0.594 646 L N 2.080 123.102 121.223 -0.335 0.000 2.322 646 L HA 0.368 4.708 4.340 -0.000 0.000 0.281 646 L C -0.012 176.809 176.870 -0.082 0.000 1.014 646 L CA -0.856 53.825 54.840 -0.265 0.000 0.815 646 L CB 1.994 43.854 42.059 -0.333 0.000 1.247 646 L HN 0.126 nan 8.230 nan 0.000 0.421 647 S N 2.901 118.548 115.700 -0.088 0.000 2.513 647 S HA 0.544 5.014 4.470 -0.000 0.000 0.299 647 S C -0.601 173.934 174.600 -0.109 0.000 1.087 647 S CA -0.886 57.299 58.200 -0.025 0.000 1.012 647 S CB 1.936 65.091 63.200 -0.075 0.000 1.044 647 S HN 0.606 nan 8.310 nan 0.000 0.485 648 L N 2.722 123.830 121.223 -0.191 0.000 2.615 648 L HA 0.440 4.779 4.340 -0.000 0.000 0.271 648 L C 0.121 176.911 176.870 -0.134 0.000 1.183 648 L CA 0.519 55.077 54.840 -0.469 0.000 0.933 648 L CB -0.189 41.161 42.059 -1.181 0.000 1.199 648 L HN 1.016 nan 8.230 nan 0.000 0.487 649 A N 5.321 128.073 122.820 -0.112 0.000 2.498 649 A HA 0.511 4.831 4.320 -0.000 0.000 0.298 649 A C -1.897 175.907 177.584 0.366 0.000 1.075 649 A CA -0.605 51.498 52.037 0.109 0.000 0.714 649 A CB 0.934 19.794 19.000 -0.233 0.000 1.299 649 A HN 0.748 nan 8.150 nan 0.000 0.407 650 W N 1.801 123.266 121.300 0.275 0.000 2.390 650 W HA 0.515 5.175 4.660 -0.000 0.000 0.312 650 W C -0.544 176.141 176.519 0.277 0.000 1.123 650 W CA -0.772 56.752 57.345 0.298 0.000 1.202 650 W CB 1.271 30.875 29.460 0.240 0.000 1.251 650 W HN 0.644 nan 8.180 nan 0.000 0.511 651 D N 3.485 124.067 120.400 0.304 0.000 2.885 651 D HA -0.046 4.594 4.640 -0.000 0.000 0.234 651 D C 1.614 177.556 176.300 -0.597 0.000 1.129 651 D CA 0.585 54.585 54.000 -0.001 0.000 0.991 651 D CB -0.160 40.667 40.800 0.045 0.000 1.137 651 D HN 0.428 nan 8.370 nan 0.000 0.459 652 S N 0.980 115.878 115.700 -1.336 0.000 2.368 652 S HA -0.270 4.200 4.470 -0.000 0.000 0.226 652 S C 1.779 175.869 174.600 -0.849 0.000 1.044 652 S CA 0.802 57.818 58.200 -1.973 0.000 1.062 652 S CB -0.247 61.873 63.200 -1.799 0.000 0.931 652 S HN 0.399 nan 8.310 nan 0.000 0.440 653 N N 1.576 119.884 118.700 -0.653 0.000 2.205 653 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 653 N C 1.583 176.814 175.510 -0.465 0.000 1.015 653 N CA 1.845 54.553 53.050 -0.570 0.000 0.862 653 N CB -0.322 37.736 38.487 -0.716 0.000 0.986 653 N HN 0.726 nan 8.380 nan 0.000 0.429 654 H N -1.898 117.080 119.070 -0.154 0.000 2.338 654 H HA 0.287 4.843 4.556 -0.000 0.000 0.291 654 H C 0.562 175.881 175.328 -0.016 0.000 0.989 654 H CA 0.266 56.268 56.048 -0.076 0.000 1.281 654 H CB 0.672 30.382 29.762 -0.086 0.000 1.484 654 H HN -0.024 nan 8.280 nan 0.000 0.576 655 S N -0.455 115.335 115.700 0.150 0.000 2.776 655 S HA 0.090 4.559 4.470 -0.000 0.000 0.292 655 S C -0.854 173.961 174.600 0.358 0.000 1.187 655 S CA -0.355 57.958 58.200 0.189 0.000 0.834 655 S CB 1.020 64.290 63.200 0.116 0.000 1.199 655 S HN 0.408 nan 8.310 nan 0.000 0.514 656 D N 0.637 121.225 120.400 0.313 0.000 2.319 656 D HA 0.129 4.769 4.640 -0.000 0.000 0.230 656 D C 0.365 176.862 176.300 0.328 0.000 1.094 656 D CA -0.065 54.144 54.000 0.348 0.000 0.856 656 D CB -0.173 40.729 40.800 0.169 0.000 0.915 656 D HN 0.325 nan 8.370 nan 0.000 0.517 657 K N 0.997 121.581 120.400 0.307 0.000 2.401 657 K HA 0.080 4.400 4.320 -0.000 0.000 0.278 657 K C -0.397 176.442 176.600 0.399 0.000 1.018 657 K CA -0.305 56.124 56.287 0.236 0.000 0.981 657 K CB 0.535 33.065 32.500 0.050 0.000 0.933 657 K HN 0.007 nan 8.250 nan 0.000 0.477 658 I N 6.747 127.503 120.570 0.310 0.000 2.336 658 I HA 0.381 4.551 4.170 -0.000 0.000 0.292 658 I C -0.089 176.229 176.117 0.336 0.000 0.991 658 I CA -0.419 61.056 61.300 0.293 0.000 1.227 658 I CB 0.263 38.298 38.000 0.057 0.000 1.366 658 I HN 0.619 nan 8.210 nan 0.000 0.466 659 F N 2.481 122.442 119.950 0.018 0.000 2.741 659 F HA 0.742 5.269 4.527 -0.000 0.000 0.311 659 F C -0.043 175.777 175.800 0.033 0.000 1.149 659 F CA -1.283 56.741 58.000 0.040 0.000 0.930 659 F CB 1.401 40.455 39.000 0.090 0.000 1.312 659 F HN 0.434 nan 8.300 nan 0.000 0.450 660 G N 1.309 110.068 108.800 -0.068 0.000 2.372 660 G HA2 0.553 4.513 3.960 -0.000 0.000 0.286 660 G HA3 0.553 4.513 3.960 -0.000 0.000 0.286 660 G C -0.836 173.755 174.900 -0.514 0.000 1.153 660 G CA 0.063 45.042 45.100 -0.203 0.000 0.985 660 G HN 1.017 nan 8.290 nan 0.000 0.429 661 A N 2.815 125.233 122.820 -0.670 0.000 2.355 661 A HA 0.836 5.156 4.320 -0.000 0.000 0.324 661 A C 0.376 177.780 177.584 -0.300 0.000 1.117 661 A CA -0.511 51.169 52.037 -0.595 0.000 0.785 661 A CB 1.699 20.238 19.000 -0.768 0.000 1.254 661 A HN 0.702 nan 8.150 nan 0.000 0.453 662 T N 0.227 114.661 114.554 -0.201 0.000 2.816 662 T HA 0.560 4.910 4.350 -0.000 0.000 0.282 662 T C 1.015 175.685 174.700 -0.050 0.000 0.993 662 T CA 1.430 63.468 62.100 -0.104 0.000 0.994 662 T CB 0.206 69.038 68.868 -0.061 0.000 1.025 662 T HN 2.564 nan 8.240 nan 0.000 0.529 663 G N 2.005 110.794 108.800 -0.018 0.000 2.562 663 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.250 663 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.250 663 G C -0.647 174.256 174.900 0.004 0.000 1.269 663 G CA 0.373 45.469 45.100 -0.006 0.000 0.919 663 G HN 1.017 nan 8.290 nan 0.000 0.574 664 D N -1.808 118.604 120.400 0.020 0.000 2.936 664 D HA 0.656 5.296 4.640 -0.000 0.000 0.238 664 D C -1.238 175.138 176.300 0.127 0.000 1.248 664 D CA -0.388 53.662 54.000 0.082 0.000 0.903 664 D CB 1.052 41.897 40.800 0.075 0.000 1.544 664 D HN 0.639 nan 8.370 nan 0.000 0.543 665 Y N 1.849 122.217 120.300 0.113 0.000 2.624 665 Y HA 0.188 4.738 4.550 -0.000 0.000 0.334 665 Y C 0.237 176.244 175.900 0.179 0.000 1.155 665 Y CA -1.194 56.960 58.100 0.089 0.000 1.046 665 Y CB 1.795 40.262 38.460 0.012 0.000 1.316 665 Y HN 0.343 nan 8.280 nan 0.000 0.457 666 D N 0.441 121.156 120.400 0.526 0.000 2.149 666 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 666 D C 1.167 177.553 176.300 0.144 0.000 1.001 666 D CA 2.308 56.495 54.000 0.312 0.000 0.849 666 D CB -0.152 40.742 40.800 0.157 0.000 0.939 666 D HN 0.686 nan 8.370 nan 0.000 0.449 667 D N -0.042 120.307 120.400 -0.085 0.000 2.378 667 D HA -0.119 4.521 4.640 -0.000 0.000 0.227 667 D C 0.919 177.119 176.300 -0.166 0.000 1.012 667 D CA 0.410 54.321 54.000 -0.148 0.000 0.905 667 D CB -0.629 40.018 40.800 -0.255 0.000 0.895 667 D HN 0.291 nan 8.370 nan 0.000 0.532 668 Q N -0.946 118.813 119.800 -0.069 0.000 2.220 668 Q HA 0.155 4.495 4.340 -0.000 0.000 0.205 668 Q C -0.683 175.116 176.000 -0.334 0.000 0.865 668 Q CA -0.141 55.593 55.803 -0.115 0.000 0.960 668 Q CB 0.268 28.948 28.738 -0.097 0.000 1.097 668 Q HN 0.340 nan 8.270 nan 0.000 0.493 669 Y N -0.428 119.640 120.300 -0.387 0.000 2.393 669 Y HA 0.408 4.958 4.550 -0.000 0.000 0.341 669 Y C -0.849 174.788 175.900 -0.439 0.000 0.988 669 Y CA -0.965 56.977 58.100 -0.264 0.000 1.078 669 Y CB 1.225 39.547 38.460 -0.231 0.000 1.203 669 Y HN 0.013 nan 8.280 nan 0.000 0.453 670 W N 3.894 125.399 121.300 0.342 0.000 2.936 670 W HA 0.717 5.377 4.660 -0.000 0.000 0.338 670 W C -1.403 175.407 176.519 0.486 0.000 1.121 670 W CA -0.710 56.870 57.345 0.391 0.000 1.209 670 W CB 1.263 30.938 29.460 0.358 0.000 1.420 670 W HN 0.184 nan 8.180 nan 0.000 0.516 671 I N 4.320 125.289 120.570 0.665 0.000 2.359 671 I HA 0.281 4.451 4.170 -0.000 0.000 0.284 671 I C -2.273 174.059 176.117 0.358 0.000 1.018 671 I CA -2.205 59.434 61.300 0.566 0.000 1.173 671 I CB 1.127 39.455 38.000 0.546 0.000 1.326 671 I HN -0.081 nan 8.210 nan 0.000 0.462 672 P HA 0.296 nan 4.420 nan 0.000 0.282 672 P C -0.695 176.580 177.300 -0.043 0.000 1.262 672 P CA -0.119 62.854 63.100 -0.211 0.000 0.773 672 P CB 0.704 32.165 31.700 -0.398 0.000 0.879 673 I N 4.517 125.012 120.570 -0.125 0.000 2.411 673 I HA 0.169 4.339 4.170 -0.000 0.000 0.284 673 I C -0.115 175.753 176.117 -0.415 0.000 1.012 673 I CA -0.840 60.347 61.300 -0.188 0.000 1.119 673 I CB 1.285 39.220 38.000 -0.108 0.000 1.261 673 I HN 0.186 nan 8.210 nan 0.000 0.448 674 L N 7.501 128.334 121.223 -0.649 0.000 2.601 674 L HA 0.046 4.386 4.340 -0.000 0.000 0.277 674 L C 0.059 176.601 176.870 -0.548 0.000 1.219 674 L CA 0.966 55.207 54.840 -0.998 0.000 0.915 674 L CB -0.093 41.481 42.059 -0.808 0.000 1.160 674 L HN 0.502 nan 8.230 nan 0.000 0.494 675 Q N 2.403 121.886 119.800 -0.529 0.000 2.193 675 Q HA 0.278 4.618 4.340 -0.000 0.000 0.246 675 Q C 1.250 177.137 176.000 -0.188 0.000 0.959 675 Q CA 0.328 55.956 55.803 -0.290 0.000 0.904 675 Q CB 1.146 29.722 28.738 -0.270 0.000 1.238 675 Q HN 0.797 nan 8.270 nan 0.000 0.469 676 T N -2.636 111.860 114.554 -0.095 0.000 2.977 676 T HA -0.140 4.210 4.350 -0.000 0.000 0.271 676 T C 0.652 175.365 174.700 0.021 0.000 1.105 676 T CA 1.465 63.554 62.100 -0.020 0.000 1.116 676 T CB -0.114 68.756 68.868 0.003 0.000 0.878 676 T HN 0.589 nan 8.240 nan 0.000 0.509 677 D N 0.133 120.530 120.400 -0.005 0.000 2.363 677 D HA 0.305 4.945 4.640 -0.000 0.000 0.214 677 D C 1.563 177.940 176.300 0.128 0.000 1.093 677 D CA 0.273 54.320 54.000 0.079 0.000 0.837 677 D CB -0.477 40.361 40.800 0.064 0.000 0.948 677 D HN 0.516 nan 8.370 nan 0.000 0.507 678 G N 0.149 108.960 108.800 0.018 0.000 2.195 678 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.246 678 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.246 678 G C 0.516 175.362 174.900 -0.089 0.000 0.984 678 G CA 0.394 45.513 45.100 0.031 0.000 0.633 678 G HN 0.810 nan 8.290 nan 0.000 0.525 679 S N -0.507 115.022 115.700 -0.285 0.000 2.661 679 S HA 0.831 5.301 4.470 -0.000 0.000 0.265 679 S C -0.184 174.145 174.600 -0.451 0.000 1.225 679 S CA -0.491 57.445 58.200 -0.440 0.000 0.986 679 S CB 1.477 64.174 63.200 -0.839 0.000 1.008 679 S HN 0.507 nan 8.310 nan 0.000 0.565 680 F N -0.758 119.026 119.950 -0.277 0.000 2.577 680 F HA 0.657 5.184 4.527 -0.000 0.000 0.318 680 F C -0.022 175.560 175.800 -0.362 0.000 1.065 680 F CA -0.955 56.807 58.000 -0.396 0.000 0.929 680 F CB 1.780 40.403 39.000 -0.628 0.000 1.237 680 F HN 0.465 nan 8.300 nan 0.000 0.468 681 I N 1.620 122.015 120.570 -0.292 0.000 2.569 681 I HA 0.403 4.573 4.170 -0.000 0.000 0.296 681 I C -1.445 174.430 176.117 -0.402 0.000 1.028 681 I CA -0.653 60.520 61.300 -0.211 0.000 1.082 681 I CB 1.848 39.767 38.000 -0.136 0.000 1.264 681 I HN 0.386 nan 8.210 nan 0.000 0.429 682 F N 5.378 125.219 119.950 -0.181 0.000 2.366 682 F HA 0.487 5.014 4.527 -0.000 0.000 0.366 682 F C 0.188 176.100 175.800 0.185 0.000 1.096 682 F CA -0.646 57.305 58.000 -0.082 0.000 1.060 682 F CB 0.943 39.657 39.000 -0.477 0.000 1.282 682 F HN 0.187 nan 8.300 nan 0.000 0.450 683 R N 1.685 122.420 120.500 0.392 0.000 2.441 683 R HA 0.153 4.492 4.340 -0.000 0.000 0.284 683 R C 0.140 176.705 176.300 0.441 0.000 1.070 683 R CA -0.634 55.681 56.100 0.359 0.000 1.047 683 R CB 0.631 31.075 30.300 0.240 0.000 1.016 683 R HN 0.521 nan 8.270 nan 0.000 0.477 684 N N 2.032 120.865 118.700 0.221 0.000 2.497 684 N HA -0.092 4.648 4.740 -0.000 0.000 0.271 684 N C 0.565 176.074 175.510 -0.001 0.000 1.142 684 N CA 0.140 53.080 53.050 -0.183 0.000 0.965 684 N CB 0.600 38.936 38.487 -0.252 0.000 1.077 684 N HN 0.541 nan 8.380 nan 0.000 0.462 685 Y N 4.593 124.793 120.300 -0.167 0.000 2.151 685 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 685 Y C 2.352 178.218 175.900 -0.057 0.000 1.166 685 Y CA 2.007 60.062 58.100 -0.074 0.000 1.163 685 Y CB 0.038 38.451 38.460 -0.079 0.000 0.974 685 Y HN 0.649 nan 8.280 nan 0.000 0.511 686 K N -0.321 120.015 120.400 -0.106 0.000 2.103 686 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 686 K C 0.056 176.628 176.600 -0.047 0.000 1.052 686 K CA 1.347 57.544 56.287 -0.149 0.000 0.945 686 K CB -0.042 32.394 32.500 -0.107 0.000 0.722 686 K HN 0.176 nan 8.250 nan 0.000 0.443 687 N N -0.183 118.572 118.700 0.092 0.000 2.675 687 N HA 0.207 4.947 4.740 -0.000 0.000 0.254 687 N C -2.636 172.892 175.510 0.030 0.000 1.224 687 N CA -1.854 51.246 53.050 0.083 0.000 0.777 687 N CB 1.757 40.377 38.487 0.222 0.000 1.256 687 N HN -0.157 nan 8.380 nan 0.000 0.531 688 P HA -0.032 nan 4.420 nan 0.000 0.229 688 P C 0.842 178.174 177.300 0.055 0.000 1.150 688 P CA 0.753 63.892 63.100 0.066 0.000 0.765 688 P CB 0.306 32.054 31.700 0.081 0.000 0.783 689 N N -0.462 118.251 118.700 0.022 0.000 2.494 689 N HA -0.066 4.674 4.740 -0.000 0.000 0.182 689 N C 0.248 175.735 175.510 -0.038 0.000 1.076 689 N CA 0.759 53.814 53.050 0.008 0.000 0.908 689 N CB -0.211 38.284 38.487 0.013 0.000 0.967 689 N HN -0.104 nan 8.380 nan 0.000 0.449 690 K N 1.041 121.385 120.400 -0.094 0.000 2.156 690 K HA 0.303 4.622 4.320 -0.000 0.000 0.271 690 K C 0.114 176.708 176.600 -0.010 0.000 0.995 690 K CA -0.558 55.608 56.287 -0.202 0.000 0.890 690 K CB 1.629 33.743 32.500 -0.645 0.000 1.073 690 K HN 0.231 nan 8.250 nan 0.000 0.454 691 I N -1.079 119.504 120.570 0.022 0.000 3.042 691 I HA 0.583 4.753 4.170 -0.000 0.000 0.310 691 I C -0.600 175.599 176.117 0.136 0.000 1.117 691 I CA -1.473 59.911 61.300 0.140 0.000 1.003 691 I CB 1.789 39.809 38.000 0.033 0.000 1.228 691 I HN 0.364 nan 8.210 nan 0.000 0.443 692 F N 1.402 121.383 119.950 0.052 0.000 2.410 692 F HA 0.958 5.485 4.527 -0.000 0.000 0.349 692 F C 0.127 176.048 175.800 0.202 0.000 1.117 692 F CA -0.280 57.690 58.000 -0.049 0.000 1.104 692 F CB 0.967 39.712 39.000 -0.426 0.000 1.122 692 F HN 0.792 nan 8.300 nan 0.000 0.483 693 G N 1.627 110.623 108.800 0.326 0.000 2.753 693 G HA2 0.596 4.556 3.960 -0.000 0.000 0.303 693 G HA3 0.596 4.556 3.960 -0.000 0.000 0.303 693 G C -1.435 173.561 174.900 0.160 0.000 1.242 693 G CA -0.448 44.799 45.100 0.245 0.000 0.810 693 G HN 0.887 nan 8.290 nan 0.000 0.515 694 T N -1.542 113.021 114.554 0.016 0.000 2.885 694 T HA 0.562 4.912 4.350 -0.000 0.000 0.285 694 T C -0.525 174.169 174.700 -0.009 0.000 1.019 694 T CA -0.790 61.316 62.100 0.011 0.000 1.010 694 T CB 1.897 70.743 68.868 -0.037 0.000 1.022 694 T HN 0.307 nan 8.240 nan 0.000 0.466 695 N N 1.394 120.099 118.700 0.007 0.000 2.431 695 N HA 0.493 5.233 4.740 -0.000 0.000 0.265 695 N C 1.126 176.629 175.510 -0.013 0.000 1.184 695 N CA 1.777 54.827 53.050 -0.001 0.000 0.943 695 N CB -0.036 38.458 38.487 0.011 0.000 1.080 695 N HN 1.188 nan 8.380 nan 0.000 0.477 696 G N 2.288 111.074 108.800 -0.023 0.000 2.575 696 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.267 696 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.267 696 G C -0.757 174.118 174.900 -0.041 0.000 1.264 696 G CA -0.455 44.628 45.100 -0.028 0.000 0.935 696 G HN 0.567 nan 8.290 nan 0.000 0.568 697 Q N 1.716 121.495 119.800 -0.035 0.000 2.311 697 Q HA 0.311 4.651 4.340 -0.000 0.000 0.272 697 Q C -1.771 174.205 176.000 -0.040 0.000 1.012 697 Q CA -1.035 54.743 55.803 -0.041 0.000 0.891 697 Q CB 0.646 29.368 28.738 -0.026 0.000 1.201 697 Q HN 0.517 nan 8.270 nan 0.000 0.391 698 P HA 0.136 nan 4.420 nan 0.000 0.271 698 P C -0.394 176.894 177.300 -0.020 0.000 1.233 698 P CA 0.142 63.211 63.100 -0.052 0.000 0.764 698 P CB 0.272 31.911 31.700 -0.101 0.000 0.825 699 I N -0.680 119.888 120.570 -0.002 0.000 3.145 699 I HA 0.545 4.715 4.170 -0.000 0.000 0.313 699 I C -0.251 175.877 176.117 0.019 0.000 1.122 699 I CA -1.699 59.606 61.300 0.009 0.000 0.987 699 I CB 1.709 39.714 38.000 0.009 0.000 1.236 699 I HN -0.036 nan 8.210 nan 0.000 0.453 700 N N 2.448 121.160 118.700 0.020 0.000 2.359 700 N HA -0.018 4.722 4.740 -0.000 0.000 0.261 700 N C 0.198 175.723 175.510 0.025 0.000 1.267 700 N CA 1.354 54.419 53.050 0.024 0.000 0.864 700 N CB 0.002 38.499 38.487 0.017 0.000 1.063 700 N HN 0.820 nan 8.380 nan 0.000 0.474 701 D N 0.783 121.203 120.400 0.034 0.000 3.099 701 D HA -0.194 4.446 4.640 -0.000 0.000 0.213 701 D C -0.659 175.662 176.300 0.036 0.000 1.121 701 D CA 0.804 54.825 54.000 0.034 0.000 0.951 701 D CB -1.372 39.441 40.800 0.022 0.000 1.102 701 D HN 0.648 nan 8.370 nan 0.000 0.423 702 I N -1.542 119.051 120.570 0.040 0.000 2.365 702 I HA 0.526 4.696 4.170 -0.000 0.000 0.291 702 I C -2.210 173.941 176.117 0.058 0.000 1.004 702 I CA -1.680 59.644 61.300 0.040 0.000 1.311 702 I CB 1.188 39.206 38.000 0.030 0.000 1.401 702 I HN -0.266 nan 8.210 nan 0.000 0.491 703 P HA 0.135 nan 4.420 nan 0.000 0.268 703 P C -0.384 176.970 177.300 0.089 0.000 1.205 703 P CA -0.134 63.010 63.100 0.072 0.000 0.771 703 P CB 0.737 32.475 31.700 0.064 0.000 0.858 704 L N 2.747 124.035 121.223 0.107 0.000 2.483 704 L HA 0.209 4.549 4.340 -0.000 0.000 0.276 704 L C 1.086 178.031 176.870 0.125 0.000 1.213 704 L CA 0.450 55.375 54.840 0.142 0.000 0.843 704 L CB -0.239 41.887 42.059 0.112 0.000 1.107 704 L HN 0.311 nan 8.230 nan 0.000 0.487 705 K N 1.587 122.069 120.400 0.135 0.000 2.464 705 K HA 0.576 4.896 4.320 -0.000 0.000 0.253 705 K C -0.889 175.769 176.600 0.097 0.000 0.933 705 K CA -0.640 55.715 56.287 0.113 0.000 0.801 705 K CB 2.321 34.868 32.500 0.078 0.000 1.271 705 K HN 0.646 nan 8.250 nan 0.000 0.430 706 A N 2.849 125.697 122.820 0.046 0.000 2.409 706 A HA 0.412 4.732 4.320 -0.000 0.000 0.262 706 A C -0.351 177.153 177.584 -0.134 0.000 1.113 706 A CA -0.041 51.919 52.037 -0.128 0.000 0.790 706 A CB 0.100 18.745 19.000 -0.592 0.000 1.046 706 A HN 0.690 nan 8.150 nan 0.000 0.496 707 Q N 1.530 121.255 119.800 -0.125 0.000 2.462 707 Q HA 0.416 4.756 4.340 -0.000 0.000 0.285 707 Q C -1.714 174.233 176.000 -0.087 0.000 1.035 707 Q CA -1.173 54.580 55.803 -0.083 0.000 0.799 707 Q CB 1.097 29.816 28.738 -0.031 0.000 1.452 707 Q HN 0.548 nan 8.270 nan 0.000 0.404 708 D N 1.687 122.050 120.400 -0.061 0.000 2.493 708 D HA 0.104 4.744 4.640 -0.000 0.000 0.240 708 D C 0.298 176.581 176.300 -0.028 0.000 1.142 708 D CA 0.007 53.983 54.000 -0.041 0.000 0.872 708 D CB 0.864 41.653 40.800 -0.019 0.000 1.173 708 D HN 0.454 nan 8.370 nan 0.000 0.467 709 V N 0.857 120.760 119.914 -0.018 0.000 2.617 709 V HA 0.078 4.198 4.120 -0.000 0.000 0.304 709 V C 1.101 177.185 176.094 -0.016 0.000 1.040 709 V CA 0.163 62.454 62.300 -0.014 0.000 1.149 709 V CB 0.771 32.593 31.823 -0.001 0.000 0.914 709 V HN 0.676 nan 8.190 nan 0.000 0.487 710 T N 2.100 116.638 114.554 -0.026 0.000 3.009 710 T HA 0.420 4.770 4.350 -0.000 0.000 0.267 710 T C 1.442 176.122 174.700 -0.034 0.000 0.942 710 T CA 1.145 63.230 62.100 -0.027 0.000 0.883 710 T CB -0.228 68.623 68.868 -0.028 0.000 1.192 710 T HN 2.033 nan 8.240 nan 0.000 0.524 711 G N 1.703 110.477 108.800 -0.043 0.000 2.212 711 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.266 711 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.266 711 G C 0.134 174.994 174.900 -0.066 0.000 0.978 711 G CA 0.406 45.474 45.100 -0.054 0.000 0.632 711 G HN 0.568 nan 8.290 nan 0.000 0.537 712 Q N 0.121 119.882 119.800 -0.065 0.000 2.492 712 Q HA 0.244 4.584 4.340 -0.000 0.000 0.238 712 Q C 1.280 177.217 176.000 -0.104 0.000 1.045 712 Q CA -0.307 55.453 55.803 -0.072 0.000 0.934 712 Q CB 0.218 28.919 28.738 -0.062 0.000 1.276 712 Q HN 0.252 nan 8.270 nan 0.000 0.521 713 N N 1.342 119.976 118.700 -0.109 0.000 2.289 713 N HA -0.155 4.585 4.740 -0.000 0.000 0.184 713 N C 0.978 176.364 175.510 -0.206 0.000 1.016 713 N CA 1.063 54.023 53.050 -0.150 0.000 0.872 713 N CB -0.255 38.162 38.487 -0.117 0.000 0.973 713 N HN 0.568 nan 8.380 nan 0.000 0.433 714 N N 0.275 118.871 118.700 -0.174 0.000 2.575 714 N HA -0.083 4.657 4.740 -0.000 0.000 0.192 714 N C 0.682 176.047 175.510 -0.242 0.000 1.200 714 N CA 0.584 53.507 53.050 -0.210 0.000 0.897 714 N CB -0.123 38.283 38.487 -0.134 0.000 0.990 714 N HN 0.326 nan 8.380 nan 0.000 0.449 715 Q N -0.953 118.713 119.800 -0.224 0.000 2.189 715 Q HA 0.232 4.572 4.340 -0.000 0.000 0.223 715 Q C -0.523 175.358 176.000 -0.199 0.000 0.828 715 Q CA -0.016 55.688 55.803 -0.166 0.000 0.967 715 Q CB 0.689 29.372 28.738 -0.091 0.000 1.139 715 Q HN 0.316 nan 8.270 nan 0.000 0.497 716 K N 0.129 120.312 120.400 -0.363 0.000 2.259 716 K HA 0.487 4.807 4.320 -0.000 0.000 0.249 716 K C -1.500 174.826 176.600 -0.456 0.000 0.942 716 K CA -0.447 55.666 56.287 -0.291 0.000 0.816 716 K CB 1.469 33.792 32.500 -0.294 0.000 1.155 716 K HN -0.109 nan 8.250 nan 0.000 0.428 717 W N 1.288 122.506 121.300 -0.137 0.000 2.915 717 W HA 0.355 5.015 4.660 -0.000 0.000 0.337 717 W C -0.968 175.507 176.519 -0.073 0.000 1.102 717 W CA -0.547 56.791 57.345 -0.011 0.000 1.224 717 W CB 0.782 30.399 29.460 0.261 0.000 1.416 717 W HN 0.372 nan 8.180 nan 0.000 0.503 718 Y N 2.452 122.918 120.300 0.276 0.000 2.308 718 Y HA 0.503 5.053 4.550 -0.000 0.000 0.329 718 Y C 0.368 176.411 175.900 0.238 0.000 1.111 718 Y CA -0.831 57.355 58.100 0.144 0.000 1.179 718 Y CB 0.763 39.200 38.460 -0.038 0.000 1.201 718 Y HN 0.049 nan 8.280 nan 0.000 0.483 719 L N 4.404 125.845 121.223 0.364 0.000 2.264 719 L HA 0.490 4.830 4.340 -0.000 0.000 0.289 719 L C 0.060 177.105 176.870 0.292 0.000 1.044 719 L CA -0.670 54.293 54.840 0.206 0.000 0.807 719 L CB 1.157 43.231 42.059 0.025 0.000 1.192 719 L HN 0.509 nan 8.230 nan 0.000 0.425 720 R N 2.618 123.266 120.500 0.246 0.000 2.198 720 R HA 0.172 4.512 4.340 -0.000 0.000 0.339 720 R C -0.280 176.126 176.300 0.176 0.000 1.020 720 R CA -0.422 55.824 56.100 0.244 0.000 0.864 720 R CB 0.356 30.795 30.300 0.230 0.000 1.105 720 R HN 0.591 nan 8.270 nan 0.000 0.463 721 H N 6.130 125.177 119.070 -0.037 0.000 2.969 721 H HA 0.093 4.649 4.556 -0.000 0.000 0.269 721 H C 0.636 175.854 175.328 -0.184 0.000 1.223 721 H CA -0.380 55.431 56.048 -0.394 0.000 1.400 721 H CB 0.702 30.262 29.762 -0.338 0.000 1.500 721 H HN 0.692 nan 8.280 nan 0.000 0.486 722 L N 3.408 124.581 121.223 -0.083 0.000 2.141 722 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 722 L C 2.286 179.080 176.870 -0.128 0.000 1.094 722 L CA 0.914 55.745 54.840 -0.015 0.000 0.763 722 L CB -0.286 41.810 42.059 0.060 0.000 0.908 722 L HN 0.705 nan 8.230 nan 0.000 0.437 723 N N -0.160 118.368 118.700 -0.288 0.000 2.521 723 N HA -0.064 4.676 4.740 -0.000 0.000 0.188 723 N C 0.991 176.208 175.510 -0.489 0.000 1.146 723 N CA 0.214 53.086 53.050 -0.297 0.000 0.893 723 N CB 0.320 38.717 38.487 -0.150 0.000 0.975 723 N HN 0.370 nan 8.380 nan 0.000 0.451 724 S N -0.453 114.806 115.700 -0.734 0.000 2.625 724 S HA 0.113 4.583 4.470 -0.000 0.000 0.262 724 S C 1.092 175.544 174.600 -0.245 0.000 1.223 724 S CA -0.150 57.677 58.200 -0.620 0.000 0.993 724 S CB 1.173 64.053 63.200 -0.533 0.000 1.051 724 S HN 0.163 nan 8.310 nan 0.000 0.562 725 S N -1.106 114.501 115.700 -0.155 0.000 2.650 725 S HA 0.271 4.741 4.470 -0.000 0.000 0.240 725 S C 0.094 174.618 174.600 -0.128 0.000 1.007 725 S CA -0.690 57.445 58.200 -0.108 0.000 0.984 725 S CB -0.737 62.436 63.200 -0.045 0.000 0.910 725 S HN 0.654 nan 8.310 nan 0.000 0.509 726 N N 3.723 122.337 118.700 -0.143 0.000 3.254 726 N HA 0.193 4.933 4.740 -0.000 0.000 0.308 726 N C -1.008 174.327 175.510 -0.293 0.000 1.281 726 N CA 0.072 53.017 53.050 -0.174 0.000 1.212 726 N CB 0.080 38.501 38.487 -0.110 0.000 1.478 726 N HN 0.483 nan 8.380 nan 0.000 0.548 727 N N 0.670 119.170 118.700 -0.333 0.000 2.370 727 N HA 0.306 5.046 4.740 -0.000 0.000 0.303 727 N C -0.379 174.964 175.510 -0.279 0.000 1.103 727 N CA -0.370 52.440 53.050 -0.400 0.000 0.848 727 N CB 1.101 39.107 38.487 -0.803 0.000 1.235 727 N HN 0.025 nan 8.380 nan 0.000 0.496 728 F N 0.789 120.694 119.950 -0.076 0.000 2.484 728 F HA 0.195 4.722 4.527 -0.000 0.000 0.360 728 F C 1.443 177.354 175.800 0.187 0.000 1.101 728 F CA -0.041 57.908 58.000 -0.085 0.000 1.251 728 F CB 0.640 39.248 39.000 -0.652 0.000 1.132 728 F HN 0.300 nan 8.300 nan 0.000 0.570 729 T N 0.218 115.050 114.554 0.463 0.000 2.900 729 T HA 0.810 5.160 4.350 -0.000 0.000 0.295 729 T C -0.058 174.833 174.700 0.320 0.000 1.044 729 T CA -0.322 61.990 62.100 0.354 0.000 0.995 729 T CB 1.550 70.540 68.868 0.204 0.000 1.072 729 T HN 1.299 nan 8.240 nan 0.000 0.473 730 G N 1.139 110.010 108.800 0.117 0.000 2.508 730 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.220 730 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.220 730 G C -1.374 173.319 174.900 -0.344 0.000 1.287 730 G CA -0.555 44.460 45.100 -0.142 0.000 0.916 730 G HN 0.971 nan 8.290 nan 0.000 0.574 731 Y N -0.433 119.652 120.300 -0.359 0.000 2.409 731 Y HA 0.767 5.317 4.550 -0.000 0.000 0.339 731 Y C 0.209 175.793 175.900 -0.528 0.000 1.033 731 Y CA -0.411 57.537 58.100 -0.253 0.000 1.094 731 Y CB 1.784 40.148 38.460 -0.158 0.000 1.210 731 Y HN 0.510 nan 8.280 nan 0.000 0.456 732 F N 0.350 120.460 119.950 0.266 0.000 2.608 732 F HA 0.357 4.884 4.527 -0.000 0.000 0.309 732 F C -0.615 175.319 175.800 0.223 0.000 1.103 732 F CA -1.230 56.911 58.000 0.234 0.000 0.954 732 F CB 1.604 40.754 39.000 0.250 0.000 1.267 732 F HN 0.393 nan 8.300 nan 0.000 0.444 733 N N 2.525 121.436 118.700 0.351 0.000 2.472 733 N HA 0.518 5.258 4.740 -0.000 0.000 0.277 733 N C -1.104 174.507 175.510 0.168 0.000 1.081 733 N CA -0.412 52.798 53.050 0.266 0.000 0.973 733 N CB 1.225 39.834 38.487 0.204 0.000 1.105 733 N HN 0.412 nan 8.380 nan 0.000 0.470 734 I N 2.156 122.758 120.570 0.053 0.000 2.307 734 I HA 0.119 4.289 4.170 -0.000 0.000 0.287 734 I C 0.234 176.379 176.117 0.047 0.000 1.054 734 I CA -0.377 60.770 61.300 -0.255 0.000 1.218 734 I CB 0.362 37.986 38.000 -0.628 0.000 1.398 734 I HN 0.498 nan 8.210 nan 0.000 0.475 735 S N 3.725 119.508 115.700 0.139 0.000 2.608 735 S HA 0.478 4.948 4.470 -0.000 0.000 0.291 735 S C -0.125 174.652 174.600 0.294 0.000 1.146 735 S CA -0.691 57.668 58.200 0.264 0.000 1.043 735 S CB 1.949 65.289 63.200 0.233 0.000 1.037 735 S HN 0.470 nan 8.310 nan 0.000 0.520 736 S N 0.856 116.656 115.700 0.167 0.000 2.523 736 S HA 0.220 4.690 4.470 -0.000 0.000 0.275 736 S C 1.116 175.646 174.600 -0.116 0.000 1.281 736 S CA -0.684 57.423 58.200 -0.154 0.000 1.050 736 S CB 0.622 63.791 63.200 -0.052 0.000 0.937 736 S HN 0.880 nan 8.310 nan 0.000 0.492 737 K N 3.691 123.978 120.400 -0.188 0.000 2.160 737 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 737 K C 1.905 178.426 176.600 -0.132 0.000 1.047 737 K CA 1.678 57.906 56.287 -0.098 0.000 0.930 737 K CB -0.147 32.289 32.500 -0.106 0.000 0.720 737 K HN 0.667 nan 8.250 nan 0.000 0.450 738 K N 0.288 120.549 120.400 -0.232 0.000 2.097 738 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 738 K C 0.234 176.572 176.600 -0.438 0.000 1.049 738 K CA 1.202 57.280 56.287 -0.348 0.000 0.933 738 K CB 0.143 32.350 32.500 -0.488 0.000 0.717 738 K HN 0.016 nan 8.250 nan 0.000 0.442 739 N N -0.379 118.039 118.700 -0.469 0.000 2.599 739 N HA 0.013 4.753 4.740 -0.000 0.000 0.283 739 N C -0.076 175.311 175.510 -0.206 0.000 1.160 739 N CA -0.593 52.217 53.050 -0.400 0.000 0.869 739 N CB 0.758 38.866 38.487 -0.632 0.000 1.448 739 N HN 0.058 nan 8.380 nan 0.000 0.535 740 F N 2.996 122.899 119.950 -0.079 0.000 2.451 740 F HA 0.213 4.740 4.527 -0.000 0.000 0.299 740 F C 1.137 176.956 175.800 0.032 0.000 1.101 740 F CA 0.569 58.571 58.000 0.004 0.000 1.436 740 F CB -0.161 38.865 39.000 0.043 0.000 1.074 740 F HN 0.323 nan 8.300 nan 0.000 0.553 741 N N 0.096 118.428 118.700 -0.615 0.000 2.336 741 N HA 0.011 4.750 4.740 -0.000 0.000 0.189 741 N C -0.536 174.899 175.510 -0.125 0.000 1.113 741 N CA 0.141 52.955 53.050 -0.393 0.000 0.858 741 N CB 0.064 38.195 38.487 -0.593 0.000 0.970 741 N HN 0.017 nan 8.380 nan 0.000 0.471 742 K N 1.230 121.600 120.400 -0.050 0.000 2.240 742 K HA 0.322 4.642 4.320 -0.000 0.000 0.271 742 K C -0.237 176.494 176.600 0.218 0.000 1.018 742 K CA -0.497 55.857 56.287 0.111 0.000 0.874 742 K CB 1.340 33.979 32.500 0.232 0.000 1.098 742 K HN 0.237 nan 8.250 nan 0.000 0.458 743 I N -0.448 120.266 120.570 0.240 0.000 2.828 743 I HA 0.491 4.661 4.170 -0.000 0.000 0.302 743 I C -0.222 176.056 176.117 0.268 0.000 1.101 743 I CA -1.318 60.142 61.300 0.266 0.000 1.031 743 I CB 1.604 39.733 38.000 0.216 0.000 1.231 743 I HN 0.354 nan 8.210 nan 0.000 0.427 744 I N 3.283 123.973 120.570 0.200 0.000 2.598 744 I HA 0.138 4.308 4.170 -0.000 0.000 0.284 744 I C -0.226 176.117 176.117 0.376 0.000 1.140 744 I CA 0.766 62.136 61.300 0.117 0.000 1.420 744 I CB 0.650 38.446 38.000 -0.340 0.000 1.387 744 I HN 0.642 nan 8.210 nan 0.000 0.553 745 T N 7.364 122.108 114.554 0.316 0.000 2.881 745 T HA 0.315 4.665 4.350 -0.000 0.000 0.290 745 T C -0.278 174.566 174.700 0.240 0.000 1.000 745 T CA -0.609 61.650 62.100 0.265 0.000 0.978 745 T CB 1.724 70.676 68.868 0.141 0.000 0.997 745 T HN 0.512 nan 8.240 nan 0.000 0.443 746 M N 4.588 124.290 119.600 0.170 0.000 2.219 746 M HA 0.251 4.731 4.480 -0.000 0.000 0.353 746 M C 0.436 176.728 176.300 -0.013 0.000 1.304 746 M CA -0.577 54.780 55.300 0.094 0.000 1.115 746 M CB 0.373 32.932 32.600 -0.067 0.000 1.664 746 M HN 0.720 nan 8.290 nan 0.000 0.459 747 N N 2.974 121.677 118.700 0.005 0.000 2.317 747 N HA 0.058 4.798 4.740 -0.000 0.000 0.245 747 N C 0.578 176.051 175.510 -0.061 0.000 1.294 747 N CA 0.120 53.147 53.050 -0.037 0.000 0.924 747 N CB 0.107 38.589 38.487 -0.009 0.000 1.186 747 N HN 0.730 nan 8.380 nan 0.000 0.495 748 S N -0.291 115.365 115.700 -0.073 0.000 2.383 748 S HA -0.183 4.286 4.470 -0.000 0.000 0.229 748 S C 1.194 175.763 174.600 -0.051 0.000 1.030 748 S CA 0.887 59.043 58.200 -0.073 0.000 1.002 748 S CB -0.549 62.608 63.200 -0.070 0.000 0.829 748 S HN 0.610 nan 8.310 nan 0.000 0.467 749 N N 1.714 120.393 118.700 -0.035 0.000 2.453 749 N HA 0.018 4.758 4.740 -0.000 0.000 0.183 749 N C -0.096 175.402 175.510 -0.020 0.000 1.041 749 N CA 0.682 53.717 53.050 -0.025 0.000 0.900 749 N CB -0.423 38.054 38.487 -0.017 0.000 0.961 749 N HN 0.576 nan 8.380 nan 0.000 0.443 750 K N -1.109 119.280 120.400 -0.018 0.000 3.161 750 K HA -0.155 4.165 4.320 -0.000 0.000 0.270 750 K C 0.485 177.096 176.600 0.018 0.000 1.115 750 K CA 0.998 57.282 56.287 -0.004 0.000 0.789 750 K CB -2.275 30.216 32.500 -0.015 0.000 1.256 750 K HN 0.462 nan 8.250 nan 0.000 0.492 751 T N -3.672 110.894 114.554 0.020 0.000 2.999 751 T HA 0.071 4.421 4.350 -0.000 0.000 0.247 751 T C 0.517 175.243 174.700 0.043 0.000 1.012 751 T CA -0.016 62.098 62.100 0.022 0.000 1.048 751 T CB 0.401 69.271 68.868 0.004 0.000 1.020 751 T HN 0.284 nan 8.240 nan 0.000 0.478 752 Q N 0.241 120.070 119.800 0.049 0.000 2.421 752 Q HA 0.740 5.079 4.340 -0.000 0.000 0.280 752 Q C -1.509 174.540 176.000 0.082 0.000 1.085 752 Q CA -1.132 54.704 55.803 0.054 0.000 0.807 752 Q CB 2.475 31.225 28.738 0.021 0.000 1.405 752 Q HN 0.410 nan 8.270 nan 0.000 0.419 753 A N 1.246 124.111 122.820 0.075 0.000 2.331 753 A HA 0.693 5.013 4.320 -0.000 0.000 0.283 753 A C -0.107 177.512 177.584 0.058 0.000 1.142 753 A CA -0.341 51.742 52.037 0.078 0.000 0.812 753 A CB 0.322 19.300 19.000 -0.037 0.000 1.074 753 A HN 0.544 nan 8.150 nan 0.000 0.497 754 V N 0.451 120.422 119.914 0.095 0.000 3.158 754 V HA 0.826 4.946 4.120 -0.000 0.000 0.311 754 V C -0.504 175.681 176.094 0.152 0.000 1.181 754 V CA -0.992 61.373 62.300 0.107 0.000 1.054 754 V CB 1.422 33.320 31.823 0.125 0.000 1.085 754 V HN 0.808 nan 8.190 nan 0.000 0.446 755 I N 1.292 121.958 120.570 0.160 0.000 2.488 755 I HA 0.835 5.005 4.170 -0.000 0.000 0.299 755 I C -0.850 175.435 176.117 0.279 0.000 0.984 755 I CA -0.628 60.793 61.300 0.200 0.000 1.250 755 I CB 1.326 39.391 38.000 0.109 0.000 1.389 755 I HN 0.778 nan 8.210 nan 0.000 0.488 756 F N 4.521 124.532 119.950 0.101 0.000 2.708 756 F HA 0.280 4.807 4.527 -0.000 0.000 0.309 756 F C -0.895 174.942 175.800 0.061 0.000 1.120 756 F CA -0.989 57.053 58.000 0.069 0.000 0.978 756 F CB 1.059 40.090 39.000 0.052 0.000 1.283 756 F HN 0.420 nan 8.300 nan 0.000 0.439 757 D N 2.832 123.147 120.400 -0.141 0.000 2.548 757 D HA -0.081 4.559 4.640 -0.000 0.000 0.231 757 D C -0.134 176.287 176.300 0.202 0.000 1.142 757 D CA 0.572 54.568 54.000 -0.006 0.000 0.866 757 D CB 0.460 41.191 40.800 -0.113 0.000 1.190 757 D HN 0.375 nan 8.370 nan 0.000 0.469 758 N N 1.883 120.640 118.700 0.095 0.000 2.427 758 N HA 0.006 4.746 4.740 -0.000 0.000 0.269 758 N C 0.409 175.960 175.510 0.070 0.000 1.235 758 N CA -0.038 53.066 53.050 0.090 0.000 0.934 758 N CB 0.020 38.532 38.487 0.043 0.000 1.121 758 N HN 0.420 nan 8.380 nan 0.000 0.480 759 I N 0.036 120.660 120.570 0.090 0.000 4.050 759 I HA 0.413 4.583 4.170 -0.000 0.000 0.327 759 I C 1.029 177.148 176.117 0.004 0.000 1.473 759 I CA -0.590 60.743 61.300 0.056 0.000 1.124 759 I CB 0.067 38.131 38.000 0.105 0.000 1.129 759 I HN 0.429 nan 8.210 nan 0.000 0.428 760 G N 3.172 111.967 108.800 -0.008 0.000 2.221 760 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.265 760 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.265 760 G C 0.104 174.969 174.900 -0.058 0.000 1.041 760 G CA 0.656 45.736 45.100 -0.034 0.000 0.807 760 G HN 0.772 nan 8.290 nan 0.000 0.502 761 I N -4.243 116.285 120.570 -0.070 0.000 2.783 761 I HA 0.482 4.652 4.170 -0.000 0.000 0.312 761 I C 1.326 177.356 176.117 -0.145 0.000 0.988 761 I CA -1.275 59.961 61.300 -0.107 0.000 1.182 761 I CB 0.711 38.637 38.000 -0.123 0.000 1.368 761 I HN -0.143 nan 8.210 nan 0.000 0.511 762 N N 2.401 121.003 118.700 -0.164 0.000 2.137 762 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 762 N C 0.975 176.312 175.510 -0.287 0.000 1.017 762 N CA 1.583 54.509 53.050 -0.207 0.000 0.859 762 N CB -0.499 37.878 38.487 -0.184 0.000 1.002 762 N HN 0.648 nan 8.380 nan 0.000 0.428 763 N N 1.027 119.561 118.700 -0.278 0.000 2.571 763 N HA -0.032 4.708 4.740 -0.000 0.000 0.189 763 N C 0.653 175.921 175.510 -0.402 0.000 1.154 763 N CA 0.444 53.277 53.050 -0.362 0.000 0.907 763 N CB 0.147 38.483 38.487 -0.252 0.000 0.977 763 N HN 0.453 nan 8.380 nan 0.000 0.449 764 Q N -1.604 118.011 119.800 -0.308 0.000 2.164 764 Q HA 0.228 4.568 4.340 -0.000 0.000 0.226 764 Q C -0.437 175.480 176.000 -0.139 0.000 0.813 764 Q CA -0.066 55.657 55.803 -0.134 0.000 0.978 764 Q CB 0.903 29.641 28.738 0.000 0.000 1.149 764 Q HN -0.014 nan 8.270 nan 0.000 0.489 765 S N 0.516 116.025 115.700 -0.319 0.000 2.528 765 S HA 0.344 4.814 4.470 -0.000 0.000 0.303 765 S C -1.469 173.037 174.600 -0.156 0.000 1.123 765 S CA -0.623 57.505 58.200 -0.121 0.000 1.138 765 S CB 0.075 63.211 63.200 -0.106 0.000 0.984 765 S HN 0.193 nan 8.310 nan 0.000 0.474 766 W N 3.704 125.057 121.300 0.087 0.000 2.390 766 W HA 0.492 5.152 4.660 -0.000 0.000 0.312 766 W C 0.280 176.787 176.519 -0.022 0.000 1.123 766 W CA -0.886 56.461 57.345 0.004 0.000 1.202 766 W CB 0.759 30.193 29.460 -0.044 0.000 1.251 766 W HN 0.417 nan 8.180 nan 0.000 0.511 767 K N 2.454 122.803 120.400 -0.085 0.000 2.276 767 K HA 0.394 4.714 4.320 -0.000 0.000 0.283 767 K C -1.207 175.348 176.600 -0.074 0.000 1.044 767 K CA -0.257 55.771 56.287 -0.432 0.000 0.944 767 K CB 0.425 32.392 32.500 -0.888 0.000 1.012 767 K HN 0.409 nan 8.250 nan 0.000 0.472 768 L N 4.677 125.954 121.223 0.091 0.000 2.262 768 L HA 0.362 4.702 4.340 -0.000 0.000 0.288 768 L C -0.241 176.841 176.870 0.352 0.000 1.035 768 L CA 0.098 55.076 54.840 0.229 0.000 0.820 768 L CB 1.108 43.222 42.059 0.092 0.000 1.204 768 L HN 0.558 nan 8.230 nan 0.000 0.424 769 K N 3.768 124.412 120.400 0.406 0.000 2.299 769 K HA 0.202 4.522 4.320 -0.000 0.000 0.268 769 K C -1.181 175.626 176.600 0.344 0.000 1.075 769 K CA -0.688 55.813 56.287 0.357 0.000 0.936 769 K CB 0.499 33.196 32.500 0.329 0.000 1.228 769 K HN 0.390 nan 8.250 nan 0.000 0.454 770 Y N 4.001 124.378 120.300 0.127 0.000 2.377 770 Y HA 0.142 4.692 4.550 -0.000 0.000 0.330 770 Y C -0.321 175.528 175.900 -0.085 0.000 1.108 770 Y CA -0.278 57.707 58.100 -0.193 0.000 1.308 770 Y CB 0.672 38.998 38.460 -0.224 0.000 1.216 770 Y HN 0.553 nan 8.280 nan 0.000 0.518 771 N N 4.862 123.150 118.700 -0.687 0.000 2.476 771 N HA 0.063 4.803 4.740 -0.000 0.000 0.257 771 N C 0.082 175.024 175.510 -0.947 0.000 0.970 771 N CA -0.195 52.530 53.050 -0.542 0.000 0.938 771 N CB 1.114 39.481 38.487 -0.199 0.000 1.144 771 N HN 0.891 nan 8.380 nan 0.000 0.500 772 D N 2.863 122.864 120.400 -0.665 0.000 2.178 772 D HA -0.056 4.584 4.640 -0.000 0.000 0.201 772 D C 1.004 177.128 176.300 -0.294 0.000 0.980 772 D CA 1.197 54.928 54.000 -0.449 0.000 0.842 772 D CB 0.396 41.120 40.800 -0.127 0.000 0.948 772 D HN 0.475 nan 8.370 nan 0.000 0.472 773 N N -0.062 118.478 118.700 -0.267 0.000 2.270 773 N HA -0.064 4.676 4.740 -0.000 0.000 0.181 773 N C 1.296 176.667 175.510 -0.231 0.000 1.016 773 N CA 0.786 53.715 53.050 -0.202 0.000 0.870 773 N CB 0.048 38.425 38.487 -0.184 0.000 0.979 773 N HN 0.305 nan 8.380 nan 0.000 0.431 774 K N 0.260 120.451 120.400 -0.348 0.000 2.361 774 K HA 0.142 4.462 4.320 -0.000 0.000 0.194 774 K C -0.247 176.187 176.600 -0.276 0.000 1.032 774 K CA -0.051 56.018 56.287 -0.363 0.000 1.048 774 K CB 0.301 32.424 32.500 -0.628 0.000 0.842 774 K HN 0.099 nan 8.250 nan 0.000 0.526 775 N N 0.064 118.583 118.700 -0.302 0.000 2.714 775 N HA -0.232 4.508 4.740 -0.000 0.000 0.250 775 N C -0.840 174.626 175.510 -0.074 0.000 1.117 775 N CA 0.685 53.672 53.050 -0.104 0.000 0.719 775 N CB -0.821 37.710 38.487 0.073 0.000 1.081 775 N HN 0.326 nan 8.380 nan 0.000 0.557 776 A N -0.819 121.787 122.820 -0.357 0.000 2.532 776 A HA 0.801 5.121 4.320 -0.000 0.000 0.290 776 A C -1.341 176.143 177.584 -0.167 0.000 1.143 776 A CA -0.605 51.281 52.037 -0.252 0.000 0.728 776 A CB 1.143 19.802 19.000 -0.569 0.000 1.317 776 A HN 0.168 nan 8.150 nan 0.000 0.414 777 Y N 0.382 120.804 120.300 0.204 0.000 2.393 777 Y HA 0.493 5.043 4.550 -0.000 0.000 0.341 777 Y C 0.501 176.506 175.900 0.175 0.000 0.988 777 Y CA -0.344 57.899 58.100 0.238 0.000 1.078 777 Y CB 1.839 40.412 38.460 0.189 0.000 1.203 777 Y HN 0.671 nan 8.280 nan 0.000 0.453 778 Q N 3.023 122.949 119.800 0.210 0.000 2.259 778 Q HA 0.539 4.879 4.340 -0.000 0.000 0.249 778 Q C -1.072 175.157 176.000 0.381 0.000 0.914 778 Q CA -0.332 55.593 55.803 0.204 0.000 0.904 778 Q CB 1.495 30.302 28.738 0.114 0.000 1.213 778 Q HN 0.562 nan 8.270 nan 0.000 0.428 779 I N 3.260 124.048 120.570 0.363 0.000 2.411 779 I HA 0.320 4.489 4.170 -0.000 0.000 0.284 779 I C -0.773 175.539 176.117 0.324 0.000 1.012 779 I CA -0.627 60.797 61.300 0.206 0.000 1.119 779 I CB 0.780 38.686 38.000 -0.156 0.000 1.261 779 I HN 0.733 nan 8.210 nan 0.000 0.448 780 H N 5.040 124.223 119.070 0.189 0.000 3.012 780 H HA 0.728 5.284 4.556 -0.000 0.000 0.367 780 H C -1.651 173.653 175.328 -0.040 0.000 1.211 780 H CA -0.953 55.071 56.048 -0.040 0.000 1.139 780 H CB 1.754 30.988 29.762 -0.881 0.000 1.838 780 H HN 0.370 nan 8.280 nan 0.000 0.550 781 I N 4.298 124.749 120.570 -0.199 0.000 2.411 781 I HA 0.182 4.352 4.170 -0.000 0.000 0.284 781 I C 0.193 176.225 176.117 -0.141 0.000 1.012 781 I CA -0.600 60.512 61.300 -0.314 0.000 1.119 781 I CB 1.000 38.661 38.000 -0.565 0.000 1.261 781 I HN 0.741 nan 8.210 nan 0.000 0.448 782 L N 3.914 125.109 121.223 -0.048 0.000 6.032 782 L HA -0.343 3.997 4.340 -0.000 0.000 0.053 782 L C 0.895 177.802 176.870 0.061 0.000 2.286 782 L CA 1.652 56.515 54.840 0.038 0.000 1.682 782 L CB -0.756 41.296 42.059 -0.011 0.000 2.737 782 L HN 0.813 nan 8.230 nan 0.000 0.986 783 D N -0.070 120.346 120.400 0.026 0.000 2.395 783 D HA 0.084 4.724 4.640 -0.000 0.000 0.226 783 D C -0.029 176.343 176.300 0.120 0.000 1.146 783 D CA 0.062 54.112 54.000 0.082 0.000 0.830 783 D CB -0.566 40.315 40.800 0.135 0.000 0.958 783 D HN 0.340 nan 8.370 nan 0.000 0.501 784 N N 0.767 119.454 118.700 -0.021 0.000 2.424 784 N HA 0.264 5.003 4.740 -0.000 0.000 0.271 784 N C -1.089 174.465 175.510 0.072 0.000 0.985 784 N CA -0.352 52.754 53.050 0.092 0.000 0.921 784 N CB 1.160 39.671 38.487 0.041 0.000 1.149 784 N HN 0.015 nan 8.380 nan 0.000 0.492 785 F N 1.144 121.227 119.950 0.222 0.000 2.495 785 F HA 0.316 4.843 4.527 -0.000 0.000 0.327 785 F C 0.460 176.463 175.800 0.338 0.000 1.103 785 F CA -1.094 57.086 58.000 0.300 0.000 0.949 785 F CB 1.300 40.430 39.000 0.216 0.000 1.142 785 F HN 0.162 nan 8.300 nan 0.000 0.457 786 L N 4.178 125.671 121.223 0.450 0.000 2.584 786 L HA -0.013 4.327 4.340 -0.000 0.000 0.272 786 L C -1.102 176.182 176.870 0.690 0.000 1.195 786 L CA 0.576 55.586 54.840 0.284 0.000 0.920 786 L CB -0.742 41.152 42.059 -0.275 0.000 1.173 786 L HN 0.505 nan 8.230 nan 0.000 0.489 787 Y N 4.831 125.407 120.300 0.459 0.000 2.386 787 Y HA 0.330 4.880 4.550 -0.000 0.000 0.334 787 Y C -0.651 175.484 175.900 0.392 0.000 1.002 787 Y CA -1.198 57.139 58.100 0.395 0.000 1.068 787 Y CB 1.268 39.854 38.460 0.210 0.000 1.203 787 Y HN 0.479 nan 8.280 nan 0.000 0.443 788 F N 5.463 125.298 119.950 -0.191 0.000 2.484 788 F HA 0.256 4.783 4.527 -0.000 0.000 0.360 788 F C 0.460 176.166 175.800 -0.156 0.000 1.101 788 F CA 0.371 58.294 58.000 -0.129 0.000 1.251 788 F CB 0.970 39.760 39.000 -0.349 0.000 1.132 788 F HN 0.576 nan 8.300 nan 0.000 0.570 789 Q N 4.618 123.976 119.800 -0.737 0.000 2.118 789 Q HA 0.306 4.646 4.340 -0.000 0.000 0.219 789 Q C 0.162 175.682 176.000 -0.800 0.000 0.794 789 Q CA 0.340 55.813 55.803 -0.550 0.000 1.035 789 Q CB 0.830 29.441 28.738 -0.212 0.000 1.177 789 Q HN 1.005 nan 8.270 nan 0.000 0.478 790 G N -0.056 107.710 108.800 -1.723 0.000 2.576 790 G HA2 0.005 3.965 3.960 -0.000 0.000 0.686 790 G HA3 0.005 3.965 3.960 -0.000 0.000 0.686 790 G C -0.062 174.406 174.900 -0.721 0.000 1.242 790 G CA -0.677 43.802 45.100 -1.035 0.000 0.819 790 G HN 0.240 nan 8.290 nan 0.000 0.655 791 G N -0.737 107.716 108.800 -0.578 0.000 2.491 791 G HA2 0.508 4.467 3.960 -0.000 0.000 0.238 791 G HA3 0.508 4.467 3.960 -0.000 0.000 0.238 791 G C 0.781 175.579 174.900 -0.170 0.000 1.277 791 G CA 1.350 45.964 45.100 -0.810 0.000 0.851 791 G HN 2.100 nan 8.290 nan 0.000 0.573 792 H N -0.177 118.871 119.070 -0.038 0.000 3.898 792 H HA -0.175 4.381 4.556 -0.000 0.000 0.171 792 H C -0.008 175.313 175.328 -0.011 0.000 0.920 792 H CA 1.260 57.371 56.048 0.106 0.000 1.238 792 H CB -0.753 29.077 29.762 0.113 0.000 0.997 792 H HN 0.552 nan 8.280 nan 0.000 0.380 793 N N 0.771 119.430 118.700 -0.069 0.000 2.430 793 N HA 0.342 5.082 4.740 -0.000 0.000 0.298 793 N C 0.262 175.694 175.510 -0.129 0.000 1.130 793 N CA -0.444 52.520 53.050 -0.143 0.000 0.894 793 N CB 1.139 39.523 38.487 -0.172 0.000 1.209 793 N HN 0.173 nan 8.380 nan 0.000 0.503 794 I N 0.845 121.327 120.570 -0.147 0.000 2.775 794 I HA -0.096 4.074 4.170 -0.000 0.000 0.290 794 I C 0.256 176.351 176.117 -0.036 0.000 1.203 794 I CA -0.014 61.226 61.300 -0.101 0.000 1.433 794 I CB 0.307 38.238 38.000 -0.114 0.000 1.354 794 I HN 0.040 nan 8.210 nan 0.000 0.579 795 V N 7.088 127.010 119.914 0.013 0.000 2.508 795 V HA 0.276 4.396 4.120 -0.000 0.000 0.281 795 V C 0.800 176.948 176.094 0.090 0.000 1.041 795 V CA -0.425 61.923 62.300 0.081 0.000 1.016 795 V CB 0.705 32.565 31.823 0.061 0.000 0.984 795 V HN 0.870 nan 8.190 nan 0.000 0.478 796 A N 4.299 127.214 122.820 0.157 0.000 2.272 796 A HA 0.730 5.050 4.320 -0.000 0.000 0.275 796 A C 0.530 178.242 177.584 0.213 0.000 1.096 796 A CA -0.142 51.989 52.037 0.156 0.000 0.822 796 A CB 0.591 19.683 19.000 0.152 0.000 1.088 796 A HN 0.961 nan 8.150 nan 0.000 0.495 797 T N -0.191 114.467 114.554 0.172 0.000 2.791 797 T HA 0.632 4.982 4.350 -0.000 0.000 0.288 797 T C -0.378 174.407 174.700 0.142 0.000 0.999 797 T CA -0.593 61.639 62.100 0.219 0.000 0.952 797 T CB 0.446 69.445 68.868 0.217 0.000 0.938 797 T HN 0.434 nan 8.240 nan 0.000 0.444 798 M N 3.100 122.791 119.600 0.152 0.000 2.364 798 M HA 0.468 4.948 4.480 -0.000 0.000 0.334 798 M C 0.283 176.642 176.300 0.099 0.000 1.107 798 M CA -0.584 54.700 55.300 -0.027 0.000 0.988 798 M CB 2.394 34.726 32.600 -0.447 0.000 1.673 798 M HN 0.662 nan 8.290 nan 0.000 0.441 799 R N 1.542 122.061 120.500 0.032 0.000 2.543 799 R HA 0.346 4.686 4.340 -0.000 0.000 0.268 799 R C 0.400 176.695 176.300 -0.009 0.000 1.067 799 R CA -0.490 55.658 56.100 0.080 0.000 1.142 799 R CB 0.482 30.803 30.300 0.036 0.000 1.110 799 R HN 0.700 nan 8.270 nan 0.000 0.549 800 N N -0.897 117.811 118.700 0.014 0.000 2.829 800 N HA -0.148 4.592 4.740 -0.000 0.000 0.250 800 N C -0.394 175.024 175.510 -0.154 0.000 1.090 800 N CA 1.095 54.111 53.050 -0.057 0.000 0.781 800 N CB -1.407 37.042 38.487 -0.062 0.000 1.124 800 N HN 0.432 nan 8.380 nan 0.000 0.559 801 V N -0.325 119.408 119.914 -0.302 0.000 2.614 801 V HA 0.563 4.683 4.120 -0.000 0.000 0.291 801 V C 1.251 177.142 176.094 -0.338 0.000 1.049 801 V CA 0.090 62.152 62.300 -0.398 0.000 1.038 801 V CB 1.327 32.784 31.823 -0.610 0.000 0.980 801 V HN 0.313 nan 8.190 nan 0.000 0.481 802 T N 1.763 116.208 114.554 -0.182 0.000 2.882 802 T HA 0.257 4.607 4.350 -0.000 0.000 0.287 802 T C 0.831 175.476 174.700 -0.092 0.000 1.014 802 T CA 0.459 62.493 62.100 -0.110 0.000 1.049 802 T CB 0.306 69.145 68.868 -0.048 0.000 1.001 802 T HN 0.780 nan 8.240 nan 0.000 0.525 803 N N 0.368 119.043 118.700 -0.040 0.000 2.364 803 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 803 N C 0.722 176.319 175.510 0.145 0.000 1.022 803 N CA 0.763 53.835 53.050 0.037 0.000 0.883 803 N CB 0.062 38.567 38.487 0.030 0.000 0.965 803 N HN 0.595 nan 8.380 nan 0.000 0.438 804 D N -0.175 120.268 120.400 0.073 0.000 2.369 804 D HA -0.019 4.621 4.640 -0.000 0.000 0.211 804 D C -0.421 175.933 176.300 0.089 0.000 1.077 804 D CA 0.255 54.284 54.000 0.049 0.000 0.842 804 D CB 0.003 40.800 40.800 -0.005 0.000 0.947 804 D HN 0.126 nan 8.370 nan 0.000 0.509 805 D N 1.353 121.829 120.400 0.126 0.000 2.383 805 D HA 0.021 4.661 4.640 -0.000 0.000 0.245 805 D C 1.566 177.961 176.300 0.159 0.000 1.263 805 D CA -0.110 53.955 54.000 0.108 0.000 0.936 805 D CB 0.422 41.272 40.800 0.084 0.000 1.053 805 D HN 0.094 nan 8.370 nan 0.000 0.507 806 L N 3.235 124.545 121.223 0.144 0.000 2.261 806 L HA -0.143 4.196 4.340 -0.000 0.000 0.216 806 L C 2.330 179.168 176.870 -0.053 0.000 1.114 806 L CA 0.729 55.639 54.840 0.116 0.000 0.777 806 L CB -0.152 41.962 42.059 0.091 0.000 0.910 806 L HN 0.299 nan 8.230 nan 0.000 0.440 807 R N -0.180 120.201 120.500 -0.199 0.000 2.193 807 R HA -0.100 4.239 4.340 -0.000 0.000 0.229 807 R C 2.230 178.148 176.300 -0.636 0.000 1.110 807 R CA 1.445 57.209 56.100 -0.559 0.000 0.988 807 R CB -0.222 29.460 30.300 -1.029 0.000 0.871 807 R HN 0.428 nan 8.270 nan 0.000 0.458 808 S N -1.159 114.341 115.700 -0.332 0.000 2.556 808 S HA 0.083 4.553 4.470 -0.000 0.000 0.216 808 S C 0.000 174.412 174.600 -0.314 0.000 0.970 808 S CA -0.431 57.702 58.200 -0.111 0.000 0.912 808 S CB 0.116 63.304 63.200 -0.021 0.000 0.790 808 S HN 0.095 nan 8.310 nan 0.000 0.504 809 Y N 0.583 120.615 120.300 -0.446 0.000 2.361 809 Y HA 0.597 5.147 4.550 -0.000 0.000 0.332 809 Y C -0.649 174.774 175.900 -0.795 0.000 1.101 809 Y CA -1.036 56.812 58.100 -0.420 0.000 1.137 809 Y CB 0.994 39.221 38.460 -0.388 0.000 1.207 809 Y HN 0.230 nan 8.280 nan 0.000 0.463 810 W N 2.574 123.850 121.300 -0.040 0.000 2.998 810 W HA 0.495 5.155 4.660 -0.000 0.000 0.335 810 W C -1.631 174.831 176.519 -0.095 0.000 1.110 810 W CA -1.063 56.234 57.345 -0.079 0.000 1.230 810 W CB 0.837 30.290 29.460 -0.013 0.000 1.405 810 W HN 0.321 nan 8.180 nan 0.000 0.493 811 Y N 1.603 122.088 120.300 0.308 0.000 2.304 811 Y HA 0.487 5.037 4.550 -0.000 0.000 0.328 811 Y C 0.333 176.433 175.900 0.333 0.000 1.123 811 Y CA -0.987 57.274 58.100 0.268 0.000 1.218 811 Y CB 0.694 39.240 38.460 0.143 0.000 1.207 811 Y HN 0.007 nan 8.280 nan 0.000 0.495 812 V N 4.067 124.266 119.914 0.475 0.000 2.334 812 V HA 0.324 4.444 4.120 -0.000 0.000 0.281 812 V C -0.560 175.825 176.094 0.486 0.000 1.016 812 V CA -0.952 61.531 62.300 0.305 0.000 0.832 812 V CB 0.854 32.537 31.823 -0.234 0.000 0.999 812 V HN 0.737 nan 8.190 nan 0.000 0.439 813 E N 3.653 124.178 120.200 0.542 0.000 2.191 813 E HA 0.356 4.705 4.350 -0.000 0.000 0.263 813 E C -1.398 175.473 176.600 0.452 0.000 0.881 813 E CA -0.833 55.864 56.400 0.494 0.000 0.757 813 E CB 2.371 32.303 29.700 0.388 0.000 1.147 813 E HN 0.631 nan 8.360 nan 0.000 0.414 814 Y N 3.526 123.943 120.300 0.195 0.000 2.377 814 Y HA 0.073 4.623 4.550 -0.000 0.000 0.330 814 Y C -0.127 175.610 175.900 -0.272 0.000 1.108 814 Y CA -0.132 57.758 58.100 -0.349 0.000 1.308 814 Y CB 0.580 38.690 38.460 -0.582 0.000 1.216 814 Y HN 0.444 nan 8.280 nan 0.000 0.518 815 N N 5.885 123.985 118.700 -1.000 0.000 2.444 815 N HA 0.092 4.832 4.740 -0.000 0.000 0.262 815 N C -0.030 174.901 175.510 -0.965 0.000 0.974 815 N CA -0.170 52.491 53.050 -0.648 0.000 0.933 815 N CB 0.471 38.785 38.487 -0.289 0.000 1.137 815 N HN 0.727 nan 8.380 nan 0.000 0.498 816 F N 2.647 122.237 119.950 -0.601 0.000 2.206 816 F HA -0.070 4.456 4.527 -0.000 0.000 0.298 816 F C 2.322 178.013 175.800 -0.181 0.000 1.090 816 F CA 0.916 58.679 58.000 -0.396 0.000 1.323 816 F CB -0.037 38.664 39.000 -0.498 0.000 1.028 816 F HN 0.553 nan 8.300 nan 0.000 0.492 817 N N 0.363 119.101 118.700 0.064 0.000 2.173 817 N HA -0.140 4.599 4.740 -0.000 0.000 0.184 817 N C 1.531 177.036 175.510 -0.008 0.000 1.025 817 N CA 1.258 54.350 53.050 0.070 0.000 0.852 817 N CB -0.002 38.543 38.487 0.097 0.000 0.998 817 N HN -0.166 nan 8.380 nan 0.000 0.427 818 K N 0.147 120.501 120.400 -0.077 0.000 2.418 818 K HA 0.006 4.326 4.320 -0.000 0.000 0.195 818 K C -0.106 176.414 176.600 -0.133 0.000 1.035 818 K CA 0.350 56.587 56.287 -0.083 0.000 1.003 818 K CB -0.472 31.987 32.500 -0.069 0.000 0.793 818 K HN 0.284 nan 8.250 nan 0.000 0.494 819 D N 0.137 120.379 120.400 -0.263 0.000 2.778 819 D HA -0.118 4.522 4.640 -0.000 0.000 0.246 819 D C -0.259 175.908 176.300 -0.222 0.000 1.107 819 D CA 1.293 55.145 54.000 -0.246 0.000 0.732 819 D CB -1.129 39.653 40.800 -0.031 0.000 1.055 819 D HN 0.411 nan 8.370 nan 0.000 0.429 820 G N -0.490 108.038 108.800 -0.453 0.000 2.506 820 G HA2 0.534 4.494 3.960 -0.000 0.000 0.292 820 G HA3 0.534 4.494 3.960 -0.000 0.000 0.292 820 G C -1.305 173.411 174.900 -0.307 0.000 1.425 820 G CA -0.957 44.027 45.100 -0.194 0.000 0.788 820 G HN 0.061 nan 8.290 nan 0.000 0.490 821 F N -0.009 120.067 119.950 0.209 0.000 2.443 821 F HA 0.643 5.170 4.527 -0.000 0.000 0.335 821 F C 0.658 176.663 175.800 0.342 0.000 1.104 821 F CA -0.620 57.563 58.000 0.306 0.000 1.013 821 F CB 1.950 41.243 39.000 0.490 0.000 1.136 821 F HN 0.159 nan 8.300 nan 0.000 0.470 822 I N 3.989 124.843 120.570 0.474 0.000 2.440 822 I HA 0.328 4.497 4.170 -0.000 0.000 0.294 822 I C -0.449 175.943 176.117 0.459 0.000 0.995 822 I CA -0.401 61.163 61.300 0.441 0.000 1.306 822 I CB 1.255 39.448 38.000 0.321 0.000 1.407 822 I HN 0.397 nan 8.210 nan 0.000 0.501 823 I N 6.234 127.046 120.570 0.402 0.000 2.390 823 I HA 0.395 4.565 4.170 -0.000 0.000 0.283 823 I C -0.159 176.208 176.117 0.417 0.000 1.016 823 I CA -0.459 61.016 61.300 0.291 0.000 1.151 823 I CB 0.987 38.942 38.000 -0.076 0.000 1.293 823 I HN 0.536 nan 8.210 nan 0.000 0.458 824 R N 5.946 126.755 120.500 0.515 0.000 2.514 824 R HA 0.349 4.689 4.340 -0.000 0.000 0.301 824 R C -0.427 176.159 176.300 0.476 0.000 0.962 824 R CA -0.608 55.794 56.100 0.503 0.000 0.882 824 R CB 1.453 32.020 30.300 0.444 0.000 1.143 824 R HN 0.646 nan 8.270 nan 0.000 0.452 825 N N 2.114 120.950 118.700 0.226 0.000 2.479 825 N HA -0.012 4.728 4.740 -0.000 0.000 0.257 825 N C 0.288 175.653 175.510 -0.243 0.000 1.232 825 N CA 0.436 53.242 53.050 -0.406 0.000 0.920 825 N CB 1.428 39.463 38.487 -0.753 0.000 1.105 825 N HN 0.720 nan 8.380 nan 0.000 0.444 826 A N 3.731 126.285 122.820 -0.445 0.000 2.081 826 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 826 A C 1.633 179.128 177.584 -0.148 0.000 1.158 826 A CA 0.182 52.075 52.037 -0.239 0.000 0.724 826 A CB -0.369 18.346 19.000 -0.476 0.000 0.826 826 A HN 0.792 nan 8.150 nan 0.000 0.463 827 F N 0.681 120.393 119.950 -0.396 0.000 2.128 827 F HA 0.042 4.569 4.527 -0.000 0.000 0.295 827 F C 0.206 175.861 175.800 -0.242 0.000 1.100 827 F CA 1.490 59.314 58.000 -0.295 0.000 1.260 827 F CB 0.359 39.178 39.000 -0.302 0.000 1.009 827 F HN 0.186 nan 8.300 nan 0.000 0.476 828 D N -0.316 119.888 120.400 -0.328 0.000 2.473 828 D HA 0.133 4.773 4.640 -0.000 0.000 0.253 828 D C 0.464 176.672 176.300 -0.153 0.000 1.233 828 D CA 0.132 54.001 54.000 -0.219 0.000 0.908 828 D CB 1.400 42.218 40.800 0.030 0.000 1.170 828 D HN 0.204 nan 8.370 nan 0.000 0.558 829 T N -0.224 114.281 114.554 -0.082 0.000 3.215 829 T HA 0.017 4.367 4.350 -0.000 0.000 0.254 829 T C 1.366 176.021 174.700 -0.075 0.000 1.149 829 T CA 0.128 62.230 62.100 0.004 0.000 1.042 829 T CB 0.066 68.969 68.868 0.058 0.000 0.966 829 T HN 0.090 nan 8.240 nan 0.000 0.534 830 S N 0.280 115.833 115.700 -0.245 0.000 2.527 830 S HA 0.224 4.694 4.470 -0.000 0.000 0.222 830 S C -0.454 173.745 174.600 -0.667 0.000 0.985 830 S CA -0.062 57.824 58.200 -0.524 0.000 0.921 830 S CB -0.181 62.526 63.200 -0.822 0.000 0.772 830 S HN 0.660 nan 8.310 nan 0.000 0.529 831 Y N 0.529 120.868 120.300 0.064 0.000 2.446 831 Y HA 0.597 5.147 4.550 -0.000 0.000 0.345 831 Y C -0.064 175.975 175.900 0.232 0.000 0.984 831 Y CA -1.533 56.659 58.100 0.154 0.000 1.058 831 Y CB 1.325 39.951 38.460 0.276 0.000 1.220 831 Y HN -0.104 nan 8.280 nan 0.000 0.455 832 V N 1.101 121.276 119.914 0.436 0.000 2.962 832 V HA 0.616 4.736 4.120 -0.000 0.000 0.313 832 V C -0.692 175.660 176.094 0.429 0.000 1.099 832 V CA -1.435 61.119 62.300 0.423 0.000 0.971 832 V CB 1.785 33.812 31.823 0.341 0.000 1.028 832 V HN 0.710 nan 8.190 nan 0.000 0.430 833 L N 3.156 124.591 121.223 0.354 0.000 2.525 833 L HA 0.386 4.726 4.340 -0.000 0.000 0.278 833 L C -0.030 177.122 176.870 0.470 0.000 1.218 833 L CA 0.738 55.727 54.840 0.249 0.000 0.878 833 L CB 0.205 42.166 42.059 -0.165 0.000 1.127 833 L HN 0.907 nan 8.230 nan 0.000 0.492 834 D N 2.194 122.831 120.400 0.396 0.000 2.966 834 D HA 0.172 4.812 4.640 -0.000 0.000 0.222 834 D C -1.064 175.379 176.300 0.238 0.000 1.292 834 D CA -0.440 53.757 54.000 0.328 0.000 0.907 834 D CB 2.314 43.286 40.800 0.287 0.000 1.621 834 D HN 0.082 nan 8.370 nan 0.000 0.557 835 V N 5.164 125.159 119.914 0.136 0.000 2.415 835 V HA 0.065 4.185 4.120 -0.000 0.000 0.267 835 V C 0.783 176.828 176.094 -0.081 0.000 1.042 835 V CA -0.548 61.724 62.300 -0.046 0.000 1.000 835 V CB -0.439 31.134 31.823 -0.416 0.000 1.015 835 V HN 0.462 nan 8.190 nan 0.000 0.478 836 F N 5.738 125.596 119.950 -0.153 0.000 2.580 836 F HA 0.001 4.528 4.527 -0.000 0.000 0.398 836 F C 1.272 176.969 175.800 -0.172 0.000 1.023 836 F CA 0.395 58.301 58.000 -0.156 0.000 1.188 836 F CB -0.382 38.537 39.000 -0.136 0.000 1.005 836 F HN 0.813 nan 8.300 nan 0.000 0.546 837 Q N 3.439 122.872 119.800 -0.611 0.000 2.362 837 Q HA -0.239 4.101 4.340 -0.000 0.000 0.220 837 Q C 1.106 176.888 176.000 -0.364 0.000 0.713 837 Q CA 0.993 56.389 55.803 -0.678 0.000 1.345 837 Q CB -1.773 26.258 28.738 -1.180 0.000 1.570 837 Q HN 1.540 nan 8.270 nan 0.000 0.701 838 G N 0.918 109.554 108.800 -0.274 0.000 2.258 838 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.274 838 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.274 838 G C -0.247 174.539 174.900 -0.190 0.000 1.021 838 G CA 0.556 45.553 45.100 -0.171 0.000 0.798 838 G HN 0.385 nan 8.290 nan 0.000 0.507 839 N N -0.442 118.053 118.700 -0.342 0.000 2.419 839 N HA 0.515 5.255 4.740 -0.000 0.000 0.264 839 N C 0.439 175.744 175.510 -0.341 0.000 1.031 839 N CA -1.043 51.869 53.050 -0.231 0.000 0.951 839 N CB 0.237 38.588 38.487 -0.227 0.000 1.101 839 N HN 0.027 nan 8.380 nan 0.000 0.488 840 F N 1.444 121.354 119.950 -0.067 0.000 2.660 840 F HA 0.390 4.917 4.527 -0.000 0.000 0.302 840 F C 1.368 177.124 175.800 -0.072 0.000 1.103 840 F CA -0.425 57.538 58.000 -0.061 0.000 1.340 840 F CB -0.069 38.883 39.000 -0.079 0.000 1.048 840 F HN 0.464 nan 8.300 nan 0.000 0.551 841 A N 0.523 123.352 122.820 0.016 0.000 2.498 841 A HA 0.062 4.382 4.320 -0.000 0.000 0.239 841 A C 0.507 178.063 177.584 -0.047 0.000 1.068 841 A CA -0.426 51.598 52.037 -0.023 0.000 0.766 841 A CB -0.068 18.919 19.000 -0.021 0.000 1.003 841 A HN 0.245 nan 8.150 nan 0.000 0.497 842 N N 2.487 121.107 118.700 -0.133 0.000 2.292 842 N HA -0.066 4.674 4.740 -0.000 0.000 0.258 842 N C 0.505 176.037 175.510 0.038 0.000 1.261 842 N CA 0.964 53.890 53.050 -0.208 0.000 0.845 842 N CB -0.097 38.036 38.487 -0.589 0.000 1.064 842 N HN 0.682 nan 8.380 nan 0.000 0.471 843 N N -0.944 117.874 118.700 0.196 0.000 2.979 843 N HA -0.155 4.585 4.740 -0.000 0.000 0.234 843 N C -0.907 174.671 175.510 0.113 0.000 0.938 843 N CA 0.699 53.869 53.050 0.200 0.000 0.961 843 N CB -1.325 37.274 38.487 0.187 0.000 1.089 843 N HN 0.480 nan 8.380 nan 0.000 0.576 844 T N 3.460 118.063 114.554 0.081 0.000 2.867 844 T HA 0.180 4.529 4.350 -0.000 0.000 0.297 844 T C -2.010 172.740 174.700 0.082 0.000 0.989 844 T CA -0.348 61.802 62.100 0.082 0.000 1.159 844 T CB 1.194 70.068 68.868 0.010 0.000 0.928 844 T HN 0.103 nan 8.240 nan 0.000 0.538 845 P HA 0.150 nan 4.420 nan 0.000 0.270 845 P C -0.349 176.980 177.300 0.049 0.000 1.223 845 P CA -0.456 62.657 63.100 0.023 0.000 0.785 845 P CB 0.535 32.185 31.700 -0.084 0.000 0.923 846 I N 2.795 123.385 120.570 0.033 0.000 2.365 846 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 846 I C 1.056 177.190 176.117 0.029 0.000 1.004 846 I CA -0.567 60.763 61.300 0.050 0.000 1.311 846 I CB 0.187 38.181 38.000 -0.009 0.000 1.401 846 I HN 0.365 nan 8.210 nan 0.000 0.491 847 I N 2.840 123.453 120.570 0.072 0.000 3.217 847 I HA 0.769 4.939 4.170 -0.000 0.000 0.308 847 I C 0.166 176.395 176.117 0.186 0.000 1.091 847 I CA -0.668 60.672 61.300 0.066 0.000 1.013 847 I CB 2.092 40.097 38.000 0.010 0.000 1.250 847 I HN 0.565 nan 8.210 nan 0.000 0.496 848 T N -0.604 114.094 114.554 0.240 0.000 2.856 848 T HA 0.665 5.015 4.350 -0.000 0.000 0.283 848 T C -1.056 173.929 174.700 0.475 0.000 1.008 848 T CA -0.520 61.823 62.100 0.405 0.000 0.997 848 T CB 1.496 70.706 68.868 0.570 0.000 0.992 848 T HN 0.686 nan 8.240 nan 0.000 0.454 849 Y N 0.345 120.872 120.300 0.378 0.000 2.638 849 Y HA 0.468 5.018 4.550 -0.000 0.000 0.335 849 Y C -0.682 175.416 175.900 0.329 0.000 1.155 849 Y CA -1.136 57.175 58.100 0.353 0.000 1.046 849 Y CB 1.828 40.400 38.460 0.187 0.000 1.303 849 Y HN 0.734 nan 8.280 nan 0.000 0.460 850 Q N 1.785 121.383 119.800 -0.337 0.000 2.386 850 Q HA 0.097 4.437 4.340 -0.000 0.000 0.282 850 Q C -0.554 175.268 176.000 -0.297 0.000 1.050 850 Q CA 0.326 55.901 55.803 -0.380 0.000 0.918 850 Q CB 0.105 28.511 28.738 -0.553 0.000 1.266 850 Q HN 0.428 nan 8.270 nan 0.000 0.423 851 N N 1.028 119.646 118.700 -0.138 0.000 2.420 851 N HA 0.011 4.751 4.740 -0.000 0.000 0.262 851 N C -1.084 174.470 175.510 0.073 0.000 1.144 851 N CA 0.347 53.400 53.050 0.004 0.000 0.952 851 N CB 0.320 38.855 38.487 0.079 0.000 1.081 851 N HN 0.476 nan 8.380 nan 0.000 0.480 852 Y N 3.436 123.825 120.300 0.149 0.000 2.481 852 Y HA 0.344 4.894 4.550 -0.000 0.000 0.247 852 Y C 0.855 176.807 175.900 0.087 0.000 1.151 852 Y CA -0.435 57.735 58.100 0.117 0.000 1.238 852 Y CB -0.159 38.387 38.460 0.143 0.000 1.179 852 Y HN 0.507 nan 8.280 nan 0.000 0.524 853 L N 0.062 121.418 121.223 0.223 0.000 4.001 853 L HA -0.331 4.009 4.340 -0.000 0.000 0.413 853 L C -0.337 176.604 176.870 0.117 0.000 1.185 853 L CA 0.084 55.005 54.840 0.136 0.000 0.963 853 L CB -1.624 40.491 42.059 0.093 0.000 1.976 853 L HN 0.212 nan 8.230 nan 0.000 0.939 854 N N 0.722 119.522 118.700 0.165 0.000 2.453 854 N HA 0.024 4.764 4.740 -0.000 0.000 0.253 854 N C 1.067 176.603 175.510 0.044 0.000 1.252 854 N CA -0.121 53.001 53.050 0.120 0.000 0.917 854 N CB 0.622 39.215 38.487 0.177 0.000 1.117 854 N HN 0.097 nan 8.380 nan 0.000 0.442 855 D N 0.165 120.574 120.400 0.015 0.000 2.182 855 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 855 D C 1.127 177.381 176.300 -0.076 0.000 0.986 855 D CA 1.049 55.024 54.000 -0.041 0.000 0.847 855 D CB -0.145 40.630 40.800 -0.041 0.000 0.942 855 D HN 0.611 nan 8.370 nan 0.000 0.467 856 N N 0.451 119.158 118.700 0.012 0.000 2.515 856 N HA -0.106 4.634 4.740 -0.000 0.000 0.191 856 N C 0.652 176.079 175.510 -0.138 0.000 1.182 856 N CA 0.261 53.309 53.050 -0.002 0.000 0.879 856 N CB 0.021 38.539 38.487 0.052 0.000 0.984 856 N HN 0.294 nan 8.380 nan 0.000 0.453 857 Q N -0.058 119.670 119.800 -0.121 0.000 2.189 857 Q HA 0.378 4.718 4.340 -0.000 0.000 0.223 857 Q C -0.385 175.534 176.000 -0.135 0.000 0.828 857 Q CA -0.093 55.711 55.803 0.001 0.000 0.967 857 Q CB 1.212 30.046 28.738 0.159 0.000 1.139 857 Q HN 0.256 nan 8.270 nan 0.000 0.497 858 L N 0.419 121.374 121.223 -0.448 0.000 2.334 858 L HA 0.557 4.897 4.340 -0.000 0.000 0.276 858 L C -1.255 175.252 176.870 -0.605 0.000 1.014 858 L CA -0.696 53.960 54.840 -0.306 0.000 0.815 858 L CB 1.204 43.187 42.059 -0.127 0.000 1.268 858 L HN 0.035 nan 8.230 nan 0.000 0.428 859 W N 1.287 122.657 121.300 0.116 0.000 3.032 859 W HA 0.481 5.140 4.660 -0.000 0.000 0.335 859 W C -0.492 176.102 176.519 0.124 0.000 1.154 859 W CA -0.576 56.778 57.345 0.015 0.000 1.204 859 W CB 1.351 30.701 29.460 -0.182 0.000 1.416 859 W HN 0.288 nan 8.180 nan 0.000 0.521 860 N N 1.244 120.082 118.700 0.231 0.000 2.384 860 N HA 0.527 5.267 4.740 -0.000 0.000 0.301 860 N C -1.651 173.790 175.510 -0.114 0.000 1.133 860 N CA -0.678 52.522 53.050 0.250 0.000 0.853 860 N CB 1.727 40.365 38.487 0.252 0.000 1.241 860 N HN 0.179 nan 8.380 nan 0.000 0.502 861 F N 1.203 121.193 119.950 0.067 0.000 2.382 861 F HA 0.485 5.012 4.527 -0.000 0.000 0.361 861 F C 0.194 176.165 175.800 0.285 0.000 1.109 861 F CA -0.683 57.293 58.000 -0.039 0.000 1.031 861 F CB 0.813 39.416 39.000 -0.662 0.000 1.234 861 F HN 0.151 nan 8.300 nan 0.000 0.445 862 I N 5.500 126.351 120.570 0.467 0.000 2.312 862 I HA 0.326 4.496 4.170 -0.000 0.000 0.290 862 I C -2.298 174.094 176.117 0.460 0.000 1.008 862 I CA -2.327 59.242 61.300 0.448 0.000 1.226 862 I CB 1.154 39.357 38.000 0.339 0.000 1.371 862 I HN 0.261 nan 8.210 nan 0.000 0.468 863 P HA -0.054 nan 4.420 nan 0.000 0.261 863 P C -0.435 176.904 177.300 0.066 0.000 1.165 863 P CA 0.432 63.568 63.100 0.061 0.000 0.759 863 P CB 0.453 32.212 31.700 0.098 0.000 0.772 864 S N 3.095 118.784 115.700 -0.019 0.000 2.900 864 S HA 0.697 5.167 4.470 -0.000 0.000 0.320 864 S C -0.795 173.783 174.600 -0.037 0.000 1.130 864 S CA -0.876 57.336 58.200 0.019 0.000 0.863 864 S CB 0.727 63.963 63.200 0.059 0.000 1.295 864 S HN 0.183 nan 8.310 nan 0.000 0.596 865 L N 0.440 121.605 121.223 -0.096 0.000 2.334 865 L HA 0.771 5.111 4.340 -0.000 0.000 0.273 865 L C 0.602 177.190 176.870 -0.470 0.000 1.013 865 L CA -0.440 54.275 54.840 -0.208 0.000 0.816 865 L CB 1.935 43.904 42.059 -0.149 0.000 1.278 865 L HN 1.020 nan 8.230 nan 0.000 0.431 866 G N 0.000 108.323 108.800 -0.794 0.000 5.446 866 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 866 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 866 G CA 0.000 44.316 45.100 -1.306 0.000 0.502 866 G HN 0.000 nan 8.290 nan 0.000 0.925