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 3f83_1_A DATA FIRST_RESID 23 DATA SEQUENCE ADKNPGSENM TNTIGPHDRG GSSPIYNILN SYLTAYNGSH HLYDRMSFLc DATA SEQUENCE LSSQNTLNGA cPSSDAPGTA TIDGETNITL QFTEKRSLIK RELQIKGYKQ DATA SEQUENCE FLFKNANcPS KLALNSSHFQ cNREQASGAT LSLYIPAGEL NKLPFGGVWN DATA SEQUENCE AVLKLNVKRR YDTTYGTYTI NITVNLTDKG NIQIWLPQFK SNARVDLNLR DATA SEQUENCE PTGGGTYIGR NSVDMcFYDG YSTNSSSLEI RFQDDNSKSD GKFYLKKIND DATA SEQUENCE DSKELVYTLS LLLAGKNLTP TNGQALNINT ASLETNWNRI TAVTMPEISV DATA SEQUENCE PVLcWPGRLQ LDAKVKNPEA GQYMGNIKIT FTPSSQTLDN KQVEKNITVT DATA SEQUENCE ASVDPVIDLL QADGNALPSA VKLAYSPASK TFESYRVMTQ VHTNDATKKV DATA SEQUENCE IVKLADTPQL TDVLNSTVQM PISVSWGGQV LSTTAKEFEA AALGYSASGV DATA SEQUENCE NGVSSSQELV ISAAPSTAGT APTAGNYSGV VSLVMTLGSD NKQVEKNITV DATA SEQUENCE TASVDPVI 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 23 A HA 0.000 nan 4.320 nan 0.000 0.244 23 A C 0.000 177.589 177.584 0.008 0.000 1.274 23 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 23 A CB 0.000 19.002 19.000 0.002 0.000 0.831 24 D N 1.169 121.629 120.400 0.100 0.000 2.339 24 D HA 0.517 5.157 4.640 0.001 0.000 0.245 24 D C -0.287 176.080 176.300 0.113 0.000 1.115 24 D CA 0.539 54.654 54.000 0.191 0.000 0.917 24 D CB 1.153 42.050 40.800 0.163 0.000 1.192 24 D HN 0.549 nan 8.370 nan 0.000 0.428 25 K N 1.589 122.065 120.400 0.127 0.000 2.553 25 K HA 0.227 4.548 4.320 0.001 0.000 0.250 25 K C -1.314 175.251 176.600 -0.057 0.000 0.953 25 K CA -0.710 55.591 56.287 0.023 0.000 0.800 25 K CB 1.054 33.537 32.500 -0.029 0.000 1.243 25 K HN 0.172 nan 8.250 nan 0.000 0.435 26 N N 4.889 123.550 118.700 -0.065 0.000 2.455 26 N HA 0.323 5.063 4.740 0.001 0.000 0.280 26 N C -2.439 172.921 175.510 -0.251 0.000 1.055 26 N CA -1.333 51.611 53.050 -0.177 0.000 0.961 26 N CB 1.202 39.692 38.487 0.006 0.000 1.121 26 N HN 0.500 nan 8.380 nan 0.000 0.476 27 P HA 0.241 nan 4.420 nan 0.000 0.269 27 P C -0.035 177.222 177.300 -0.072 0.000 1.209 27 P CA -0.111 62.793 63.100 -0.326 0.000 0.776 27 P CB 0.863 32.137 31.700 -0.710 0.000 0.876 28 G N 0.187 109.033 108.800 0.077 0.000 2.495 28 G HA2 0.344 4.305 3.960 0.001 0.000 0.294 28 G HA3 0.344 4.305 3.960 0.001 0.000 0.294 28 G C -1.263 173.777 174.900 0.232 0.000 1.397 28 G CA -0.560 44.621 45.100 0.135 0.000 0.790 28 G HN 0.383 nan 8.290 nan 0.000 0.486 29 S N 0.659 116.470 115.700 0.185 0.000 2.549 29 S HA 0.417 4.887 4.470 0.001 0.000 0.283 29 S C -0.302 174.420 174.600 0.203 0.000 1.320 29 S CA -0.056 58.274 58.200 0.216 0.000 1.058 29 S CB 0.640 63.917 63.200 0.128 0.000 0.882 29 S HN 0.456 nan 8.310 nan 0.000 0.498 30 E N 2.243 122.577 120.200 0.224 0.000 2.317 30 E HA 0.318 4.669 4.350 0.001 0.000 0.270 30 E C -1.046 175.532 176.600 -0.037 0.000 0.885 30 E CA -0.839 55.566 56.400 0.008 0.000 0.760 30 E CB 1.590 31.145 29.700 -0.240 0.000 1.227 30 E HN 0.485 nan 8.360 nan 0.000 0.434 31 N N 2.747 121.407 118.700 -0.066 0.000 2.407 31 N HA 0.446 5.187 4.740 0.001 0.000 0.277 31 N C -0.673 174.768 175.510 -0.116 0.000 0.995 31 N CA -0.170 52.839 53.050 -0.068 0.000 0.903 31 N CB 1.488 39.955 38.487 -0.033 0.000 1.218 31 N HN 0.349 nan 8.380 nan 0.000 0.487 32 M N 0.276 119.795 119.600 -0.136 0.000 2.691 32 M HA 0.514 4.994 4.480 0.001 0.000 0.293 32 M C -0.592 175.644 176.300 -0.106 0.000 1.259 32 M CA -0.742 54.465 55.300 -0.155 0.000 0.827 32 M CB 2.337 34.785 32.600 -0.255 0.000 1.753 32 M HN 0.083 nan 8.290 nan 0.000 0.465 33 T N 1.059 115.557 114.554 -0.094 0.000 2.952 33 T HA 0.477 4.828 4.350 0.001 0.000 0.305 33 T C -1.221 173.447 174.700 -0.053 0.000 1.064 33 T CA -0.815 61.249 62.100 -0.061 0.000 1.008 33 T CB 1.498 70.340 68.868 -0.044 0.000 1.078 33 T HN 0.601 nan 8.240 nan 0.000 0.459 34 N N 1.296 119.975 118.700 -0.035 0.000 2.225 34 N HA 0.544 5.284 4.740 0.001 0.000 0.298 34 N C -1.326 174.179 175.510 -0.007 0.000 1.076 34 N CA -0.569 52.468 53.050 -0.022 0.000 0.792 34 N CB 2.490 40.967 38.487 -0.017 0.000 1.498 34 N HN 0.423 nan 8.380 nan 0.000 0.474 35 T N 2.219 116.768 114.554 -0.008 0.000 2.847 35 T HA 0.417 4.768 4.350 0.001 0.000 0.291 35 T C -0.179 174.501 174.700 -0.033 0.000 0.998 35 T CA -0.473 61.625 62.100 -0.003 0.000 0.967 35 T CB 0.787 69.662 68.868 0.012 0.000 0.954 35 T HN 0.247 nan 8.240 nan 0.000 0.441 36 I N 3.156 123.673 120.570 -0.088 0.000 2.359 36 I HA 0.685 4.855 4.170 0.001 0.000 0.294 36 I C 1.127 177.160 176.117 -0.140 0.000 0.987 36 I CA 0.350 61.499 61.300 -0.253 0.000 1.225 36 I CB 0.563 38.259 38.000 -0.507 0.000 1.366 36 I HN 0.950 nan 8.210 nan 0.000 0.466 37 G N 8.169 116.932 108.800 -0.062 0.000 2.512 37 G HA2 -0.088 3.872 3.960 0.001 0.000 0.210 37 G HA3 -0.088 3.872 3.960 0.001 0.000 0.210 37 G C -2.634 172.317 174.900 0.084 0.000 1.295 37 G CA -0.908 44.238 45.100 0.078 0.000 0.934 37 G HN 0.542 nan 8.290 nan 0.000 0.554 38 P HA 0.373 nan 4.420 nan 0.000 0.268 38 P C -0.766 176.619 177.300 0.143 0.000 1.204 38 P CA 0.539 63.697 63.100 0.098 0.000 0.768 38 P CB 0.977 32.695 31.700 0.031 0.000 0.842 39 H N 0.324 119.436 119.070 0.070 0.000 2.572 39 H HA 0.425 4.982 4.556 0.001 0.000 0.359 39 H C -1.158 174.212 175.328 0.070 0.000 1.134 39 H CA -0.679 55.421 56.048 0.087 0.000 1.187 39 H CB 1.379 31.219 29.762 0.131 0.000 1.597 39 H HN 0.308 nan 8.280 nan 0.000 0.524 40 D N 1.821 121.863 120.400 -0.597 0.000 2.177 40 D HA 0.215 4.856 4.640 0.001 0.000 0.247 40 D C 0.747 176.818 176.300 -0.381 0.000 1.063 40 D CA -0.511 53.281 54.000 -0.348 0.000 0.867 40 D CB 1.117 41.783 40.800 -0.223 0.000 1.168 40 D HN 0.592 nan 8.370 nan 0.000 0.445 41 R N 2.261 122.713 120.500 -0.081 0.000 2.241 41 R HA -0.036 4.304 4.340 0.001 0.000 0.224 41 R C 1.897 178.197 176.300 0.000 0.000 1.101 41 R CA 0.869 56.981 56.100 0.020 0.000 0.995 41 R CB -0.070 30.283 30.300 0.088 0.000 0.870 41 R HN 0.545 nan 8.270 nan 0.000 0.463 42 G N 0.502 109.275 108.800 -0.044 0.000 2.498 42 G HA2 -0.082 3.879 3.960 0.001 0.000 0.219 42 G HA3 -0.082 3.879 3.960 0.001 0.000 0.219 42 G C 0.513 175.404 174.900 -0.016 0.000 1.119 42 G CA 0.678 45.766 45.100 -0.021 0.000 0.766 42 G HN 0.394 nan 8.290 nan 0.000 0.552 43 G N -0.920 107.857 108.800 -0.038 0.000 2.519 43 G HA2 0.445 4.406 3.960 0.001 0.000 0.307 43 G HA3 0.445 4.406 3.960 0.001 0.000 0.307 43 G C -0.666 174.330 174.900 0.161 0.000 1.266 43 G CA -0.200 44.920 45.100 0.034 0.000 0.970 43 G HN 0.144 nan 8.290 nan 0.000 0.481 44 S N -0.082 115.695 115.700 0.128 0.000 2.531 44 S HA 0.396 4.867 4.470 0.001 0.000 0.279 44 S C 1.086 175.760 174.600 0.122 0.000 1.305 44 S CA -0.178 58.089 58.200 0.112 0.000 1.058 44 S CB 0.069 63.294 63.200 0.042 0.000 0.899 44 S HN 1.212 nan 8.310 nan 0.000 0.493 45 S N 6.242 121.947 115.700 0.007 0.000 2.564 45 S HA 0.483 4.953 4.470 0.001 0.000 0.278 45 S C -2.283 172.179 174.600 -0.231 0.000 1.333 45 S CA -1.022 57.009 58.200 -0.281 0.000 1.048 45 S CB 0.808 63.786 63.200 -0.370 0.000 0.900 45 S HN 0.680 nan 8.310 nan 0.000 0.505 46 P HA 0.426 nan 4.420 nan 0.000 0.281 46 P C -0.299 176.686 177.300 -0.524 0.000 1.281 46 P CA -1.021 61.851 63.100 -0.380 0.000 0.811 46 P CB 0.636 32.101 31.700 -0.391 0.000 1.154 47 I N 0.497 120.869 120.570 -0.330 0.000 2.710 47 I HA -0.032 4.138 4.170 0.001 0.000 0.286 47 I C 0.027 175.927 176.117 -0.362 0.000 1.181 47 I CA 0.493 61.662 61.300 -0.217 0.000 1.430 47 I CB -0.356 37.574 38.000 -0.118 0.000 1.367 47 I HN 0.262 nan 8.210 nan 0.000 0.577 48 Y N 5.025 125.348 120.300 0.038 0.000 2.328 48 Y HA 0.307 4.857 4.550 0.001 0.000 0.336 48 Y C 0.304 176.250 175.900 0.076 0.000 0.960 48 Y CA -0.978 57.141 58.100 0.030 0.000 1.134 48 Y CB 0.913 39.378 38.460 0.008 0.000 1.166 48 Y HN 0.488 nan 8.280 nan 0.000 0.464 49 N N 3.809 122.616 118.700 0.178 0.000 2.520 49 N HA 0.233 4.974 4.740 0.001 0.000 0.273 49 N C 0.461 176.040 175.510 0.116 0.000 1.155 49 N CA 0.312 53.443 53.050 0.136 0.000 0.967 49 N CB 1.536 40.058 38.487 0.060 0.000 1.092 49 N HN 0.761 nan 8.380 nan 0.000 0.457 50 I N 1.134 121.756 120.570 0.086 0.000 3.445 50 I HA 0.175 4.345 4.170 0.001 0.000 0.288 50 I C 0.159 176.251 176.117 -0.041 0.000 1.198 50 I CA 0.577 61.889 61.300 0.021 0.000 1.417 50 I CB 0.492 38.502 38.000 0.016 0.000 1.205 50 I HN 0.199 nan 8.210 nan 0.000 0.448 51 L N 0.600 121.798 121.223 -0.042 0.000 2.482 51 L HA 0.381 4.722 4.340 0.001 0.000 0.263 51 L C -1.305 175.540 176.870 -0.041 0.000 0.957 51 L CA -0.586 54.211 54.840 -0.071 0.000 0.836 51 L CB 2.250 44.233 42.059 -0.127 0.000 1.324 51 L HN -0.026 nan 8.230 nan 0.000 0.406 52 N N 0.973 119.670 118.700 -0.005 0.000 2.623 52 N HA 0.286 5.026 4.740 0.001 0.000 0.256 52 N C -0.556 174.971 175.510 0.029 0.000 1.045 52 N CA -0.136 52.916 53.050 0.003 0.000 0.863 52 N CB 1.103 39.601 38.487 0.018 0.000 1.182 52 N HN 0.528 nan 8.380 nan 0.000 0.523 53 S N 1.588 117.294 115.700 0.009 0.000 3.711 53 S HA -0.258 4.212 4.470 0.001 0.000 0.374 53 S C -0.438 174.192 174.600 0.050 0.000 0.969 53 S CA 0.261 58.481 58.200 0.034 0.000 1.198 53 S CB -2.041 61.192 63.200 0.054 0.000 0.903 53 S HN 0.644 nan 8.310 nan 0.000 0.493 54 Y N 1.394 121.649 120.300 -0.075 0.000 2.402 54 Y HA 0.445 4.996 4.550 0.001 0.000 0.333 54 Y C 0.249 176.131 175.900 -0.030 0.000 1.076 54 Y CA -0.933 57.127 58.100 -0.068 0.000 1.299 54 Y CB 0.376 38.770 38.460 -0.111 0.000 1.197 54 Y HN 0.391 nan 8.280 nan 0.000 0.517 55 L N 7.114 127.985 121.223 -0.587 0.000 2.418 55 L HA 0.141 4.482 4.340 0.001 0.000 0.274 55 L C 1.101 177.712 176.870 -0.432 0.000 1.135 55 L CA 0.988 55.587 54.840 -0.402 0.000 0.870 55 L CB 0.467 42.317 42.059 -0.347 0.000 1.154 55 L HN 0.922 nan 8.230 nan 0.000 0.462 56 T N 1.496 116.003 114.554 -0.078 0.000 3.023 56 T HA 0.638 4.988 4.350 0.001 0.000 0.249 56 T C 0.469 175.138 174.700 -0.050 0.000 1.050 56 T CA 0.297 62.456 62.100 0.099 0.000 1.088 56 T CB 0.172 69.275 68.868 0.392 0.000 0.946 56 T HN 0.813 nan 8.240 nan 0.000 0.480 57 A N -0.185 122.587 122.820 -0.079 0.000 2.582 57 A HA 0.667 4.988 4.320 0.001 0.000 0.297 57 A C -2.112 175.507 177.584 0.058 0.000 1.059 57 A CA -0.898 51.010 52.037 -0.216 0.000 0.705 57 A CB 1.012 19.673 19.000 -0.565 0.000 1.279 57 A HN 0.442 nan 8.150 nan 0.000 0.404 58 Y N 1.029 121.311 120.300 -0.030 0.000 2.480 58 Y HA 0.618 5.168 4.550 0.001 0.000 0.329 58 Y C -1.161 174.855 175.900 0.193 0.000 1.127 58 Y CA -0.430 57.731 58.100 0.101 0.000 1.037 58 Y CB 2.029 40.503 38.460 0.024 0.000 1.320 58 Y HN 0.855 nan 8.280 nan 0.000 0.446 59 N N 2.265 120.830 118.700 -0.225 0.000 2.519 59 N HA 0.396 5.137 4.740 0.001 0.000 0.291 59 N C 0.187 175.458 175.510 -0.398 0.000 1.107 59 N CA 0.255 53.229 53.050 -0.127 0.000 0.904 59 N CB 1.759 40.215 38.487 -0.052 0.000 1.500 59 N HN 0.833 nan 8.380 nan 0.000 0.510 60 G N 0.503 109.208 108.800 -0.158 0.000 2.464 60 G HA2 -0.117 3.844 3.960 0.001 0.000 0.217 60 G HA3 -0.117 3.844 3.960 0.001 0.000 0.217 60 G C 0.971 175.731 174.900 -0.233 0.000 1.138 60 G CA 0.956 45.980 45.100 -0.128 0.000 0.793 60 G HN 0.591 nan 8.290 nan 0.000 0.539 61 S N -0.832 114.705 115.700 -0.272 0.000 2.483 61 S HA 0.212 4.682 4.470 0.001 0.000 0.221 61 S C 0.700 174.787 174.600 -0.855 0.000 1.030 61 S CA -0.184 57.722 58.200 -0.490 0.000 0.925 61 S CB 0.067 63.006 63.200 -0.435 0.000 0.795 61 S HN 0.384 nan 8.310 nan 0.000 0.511 62 H N 0.140 119.006 119.070 -0.339 0.000 2.797 62 H HA 0.393 4.950 4.556 0.001 0.000 0.372 62 H C -0.897 174.132 175.328 -0.498 0.000 1.168 62 H CA -0.610 55.202 56.048 -0.393 0.000 1.163 62 H CB 0.988 30.598 29.762 -0.254 0.000 1.778 62 H HN 0.283 nan 8.280 nan 0.000 0.551 63 H N 1.482 120.487 119.070 -0.109 0.000 2.638 63 H HA 0.147 4.704 4.556 0.001 0.000 0.293 63 H C 1.427 176.597 175.328 -0.264 0.000 1.316 63 H CA -0.148 55.780 56.048 -0.199 0.000 1.099 63 H CB 0.071 29.728 29.762 -0.175 0.000 1.515 63 H HN 0.348 nan 8.280 nan 0.000 0.505 64 L N -0.548 120.467 121.223 -0.346 0.000 2.083 64 L HA -0.171 4.170 4.340 0.001 0.000 0.209 64 L C 0.465 177.033 176.870 -0.504 0.000 1.083 64 L CA 1.398 55.903 54.840 -0.559 0.000 0.752 64 L CB -0.209 41.202 42.059 -1.081 0.000 0.899 64 L HN 0.541 nan 8.230 nan 0.000 0.433 65 Y N -0.327 119.937 120.300 -0.059 0.000 2.839 65 Y HA 0.080 4.630 4.550 0.001 0.000 0.361 65 Y C 0.710 176.586 175.900 -0.039 0.000 1.008 65 Y CA -0.816 57.246 58.100 -0.064 0.000 1.534 65 Y CB -0.424 37.972 38.460 -0.107 0.000 1.395 65 Y HN 0.261 nan 8.280 nan 0.000 0.534 66 D N -1.189 119.202 120.400 -0.015 0.000 2.349 66 D HA 0.059 4.699 4.640 0.001 0.000 0.214 66 D C 0.897 177.085 176.300 -0.187 0.000 1.063 66 D CA 0.018 53.904 54.000 -0.190 0.000 0.847 66 D CB 0.267 40.849 40.800 -0.362 0.000 0.933 66 D HN 0.153 nan 8.370 nan 0.000 0.513 67 R N 0.293 120.837 120.500 0.074 0.000 2.688 67 R HA 0.214 4.554 4.340 0.001 0.000 0.396 67 R C -0.403 176.063 176.300 0.276 0.000 1.081 67 R CA -0.674 55.540 56.100 0.190 0.000 1.093 67 R CB 0.532 30.895 30.300 0.105 0.000 1.338 67 R HN 0.143 nan 8.270 nan 0.000 0.613 68 M N 0.690 120.486 119.600 0.326 0.000 2.248 68 M HA 0.148 4.629 4.480 0.001 0.000 0.345 68 M C 0.353 176.594 176.300 -0.099 0.000 1.243 68 M CA 0.807 56.129 55.300 0.037 0.000 1.090 68 M CB 0.945 33.528 32.600 -0.028 0.000 1.683 68 M HN -0.042 nan 8.290 nan 0.000 0.450 69 S N 2.018 117.483 115.700 -0.392 0.000 2.595 69 S HA 0.830 5.301 4.470 0.001 0.000 0.281 69 S C -1.412 172.698 174.600 -0.817 0.000 1.117 69 S CA -0.588 57.388 58.200 -0.373 0.000 0.873 69 S CB 1.476 64.645 63.200 -0.052 0.000 1.108 69 S HN 0.427 nan 8.310 nan 0.000 0.477 70 F N 2.080 122.048 119.950 0.029 0.000 2.539 70 F HA 0.564 5.092 4.527 0.001 0.000 0.328 70 F C -0.462 175.350 175.800 0.019 0.000 1.148 70 F CA -0.663 57.331 58.000 -0.011 0.000 0.940 70 F CB 0.980 39.960 39.000 -0.033 0.000 1.194 70 F HN 0.144 nan 8.300 nan 0.000 0.438 71 L N 2.712 124.011 121.223 0.127 0.000 2.346 71 L HA 0.568 4.909 4.340 0.001 0.000 0.276 71 L C -0.283 176.647 176.870 0.099 0.000 1.006 71 L CA -0.844 54.064 54.840 0.113 0.000 0.817 71 L CB 1.800 43.925 42.059 0.109 0.000 1.272 71 L HN 0.637 nan 8.230 nan 0.000 0.421 72 c N 1.912 120.565 118.600 0.088 0.000 2.705 72 c HA 0.117 4.688 4.570 0.001 0.000 0.365 72 c C 2.057 176.188 174.090 0.067 0.000 1.353 72 c CA -0.393 55.977 56.329 0.068 0.000 2.339 72 c CB 0.265 42.807 42.510 0.053 0.000 2.576 72 c HN 0.734 nan 8.230 nan 0.000 0.716 73 L N 1.351 122.605 121.223 0.052 0.000 2.599 73 L HA 0.143 4.483 4.340 0.001 0.000 0.230 73 L C 0.881 177.783 176.870 0.053 0.000 1.141 73 L CA 0.812 55.684 54.840 0.052 0.000 0.877 73 L CB -0.681 41.399 42.059 0.035 0.000 1.009 73 L HN 0.710 nan 8.230 nan 0.000 0.447 74 S N -2.079 113.648 115.700 0.046 0.000 2.552 74 S HA 0.294 4.764 4.470 0.001 0.000 0.272 74 S C 0.323 174.942 174.600 0.032 0.000 1.150 74 S CA -0.508 57.714 58.200 0.037 0.000 0.849 74 S CB 1.838 65.054 63.200 0.027 0.000 1.113 74 S HN -0.060 nan 8.310 nan 0.000 0.458 75 S N 1.620 117.334 115.700 0.024 0.000 2.501 75 S HA 0.048 4.518 4.470 0.001 0.000 0.220 75 S C 1.386 175.996 174.600 0.016 0.000 0.997 75 S CA 0.720 58.932 58.200 0.020 0.000 0.919 75 S CB -0.003 63.205 63.200 0.013 0.000 0.778 75 S HN 0.728 nan 8.310 nan 0.000 0.523 76 Q N -0.068 119.741 119.800 0.015 0.000 2.313 76 Q HA 0.244 4.585 4.340 0.001 0.000 0.263 76 Q C 0.053 176.061 176.000 0.013 0.000 0.820 76 Q CA -0.124 55.687 55.803 0.012 0.000 0.974 76 Q CB -0.357 28.386 28.738 0.009 0.000 1.156 76 Q HN 0.302 nan 8.270 nan 0.000 0.517 77 N N 1.023 119.732 118.700 0.014 0.000 2.497 77 N HA 0.069 4.810 4.740 0.001 0.000 0.271 77 N C 0.139 175.657 175.510 0.013 0.000 1.142 77 N CA 0.403 53.461 53.050 0.014 0.000 0.965 77 N CB 1.286 39.781 38.487 0.013 0.000 1.077 77 N HN -0.042 nan 8.380 nan 0.000 0.462 78 T N 3.113 117.674 114.554 0.012 0.000 3.060 78 T HA 0.019 4.370 4.350 0.001 0.000 0.249 78 T C 1.624 176.323 174.700 -0.001 0.000 1.079 78 T CA -0.247 61.859 62.100 0.011 0.000 1.013 78 T CB -0.166 68.714 68.868 0.020 0.000 0.975 78 T HN 0.451 nan 8.240 nan 0.000 0.518 79 L N 2.066 123.288 121.223 -0.002 0.000 1.997 79 L HA -0.100 4.241 4.340 0.001 0.000 0.216 79 L C 1.202 178.050 176.870 -0.036 0.000 1.074 79 L CA 1.883 56.715 54.840 -0.014 0.000 0.763 79 L CB -0.165 41.890 42.059 -0.006 0.000 0.890 79 L HN 0.174 nan 8.230 nan 0.000 0.434 80 N N -0.271 118.413 118.700 -0.027 0.000 2.291 80 N HA 0.331 5.072 4.740 0.001 0.000 0.244 80 N C -0.143 175.350 175.510 -0.028 0.000 1.216 80 N CA 0.737 53.764 53.050 -0.038 0.000 0.879 80 N CB 0.838 39.313 38.487 -0.019 0.000 1.167 80 N HN 0.412 nan 8.380 nan 0.000 0.515 81 G N 0.606 109.393 108.800 -0.021 0.000 3.367 81 G HA2 0.160 4.121 3.960 0.001 0.000 0.686 81 G HA3 0.160 4.121 3.960 0.001 0.000 0.686 81 G C -1.031 173.876 174.900 0.011 0.000 1.146 81 G CA -0.500 44.597 45.100 -0.005 0.000 0.913 81 G HN 0.316 nan 8.290 nan 0.000 0.554 82 A N 1.548 124.377 122.820 0.015 0.000 2.304 82 A HA 1.064 5.384 4.320 0.001 0.000 0.323 82 A C 0.679 178.277 177.584 0.023 0.000 1.195 82 A CA 0.420 52.469 52.037 0.020 0.000 0.826 82 A CB 0.779 19.790 19.000 0.018 0.000 1.184 82 A HN 2.670 nan 8.150 nan 0.000 0.496 83 c N -0.485 118.133 118.600 0.030 0.000 3.211 83 c HA 0.703 5.274 4.570 0.001 0.000 0.350 83 c C -3.287 170.828 174.090 0.041 0.000 1.413 83 c CA -1.594 54.755 56.329 0.034 0.000 1.203 83 c CB 0.653 43.185 42.510 0.038 0.000 1.506 83 c HN 0.595 nan 8.230 nan 0.000 0.448 84 P HA 0.137 nan 4.420 nan 0.000 0.261 84 P C 0.513 177.850 177.300 0.062 0.000 1.173 84 P CA 0.913 64.041 63.100 0.047 0.000 0.760 84 P CB 0.551 32.283 31.700 0.054 0.000 0.783 85 S N 0.528 116.260 115.700 0.054 0.000 2.749 85 S HA 0.365 4.836 4.470 0.001 0.000 0.246 85 S C 0.173 174.827 174.600 0.089 0.000 1.023 85 S CA -0.228 58.022 58.200 0.083 0.000 1.012 85 S CB -0.323 62.920 63.200 0.072 0.000 0.942 85 S HN 0.454 nan 8.310 nan 0.000 0.531 86 S N 0.133 115.858 115.700 0.043 0.000 2.607 86 S HA 0.596 5.066 4.470 0.001 0.000 0.273 86 S C -1.491 173.128 174.600 0.031 0.000 1.148 86 S CA -0.763 57.425 58.200 -0.020 0.000 0.833 86 S CB 0.941 64.058 63.200 -0.138 0.000 1.130 86 S HN 0.060 nan 8.310 nan 0.000 0.470 87 D N 1.642 122.059 120.400 0.028 0.000 2.478 87 D HA 0.410 5.050 4.640 0.001 0.000 0.234 87 D C 0.712 177.035 176.300 0.039 0.000 1.154 87 D CA 0.637 54.669 54.000 0.054 0.000 0.874 87 D CB 0.461 41.290 40.800 0.049 0.000 1.198 87 D HN 0.893 nan 8.370 nan 0.000 0.455 88 A N 3.163 126.018 122.820 0.058 0.000 2.425 88 A HA 0.286 4.607 4.320 0.001 0.000 0.242 88 A C -1.095 176.511 177.584 0.036 0.000 1.077 88 A CA -0.837 51.231 52.037 0.051 0.000 0.781 88 A CB -0.155 18.887 19.000 0.071 0.000 1.020 88 A HN 0.386 nan 8.150 nan 0.000 0.494 89 P HA -0.042 nan 4.420 nan 0.000 0.205 89 P C 1.081 178.393 177.300 0.021 0.000 1.181 89 P CA 1.677 64.787 63.100 0.017 0.000 0.933 89 P CB -0.206 31.502 31.700 0.013 0.000 0.775 90 G N -2.028 106.784 108.800 0.021 0.000 2.702 90 G HA2 0.349 4.310 3.960 0.001 0.000 0.254 90 G HA3 0.349 4.310 3.960 0.001 0.000 0.254 90 G C 0.780 175.694 174.900 0.023 0.000 1.380 90 G CA 0.436 45.547 45.100 0.019 0.000 1.042 90 G HN 0.259 nan 8.290 nan 0.000 0.557 91 T N -2.186 112.376 114.554 0.012 0.000 3.067 91 T HA 0.356 4.706 4.350 0.001 0.000 0.261 91 T C 1.227 175.922 174.700 -0.008 0.000 1.110 91 T CA 0.719 62.819 62.100 -0.001 0.000 1.113 91 T CB -0.109 68.750 68.868 -0.016 0.000 0.917 91 T HN 0.800 nan 8.240 nan 0.000 0.499 92 A N 3.136 125.958 122.820 0.004 0.000 2.492 92 A HA 0.487 4.807 4.320 0.001 0.000 0.254 92 A C 0.962 178.559 177.584 0.023 0.000 1.091 92 A CA -0.375 51.666 52.037 0.005 0.000 0.768 92 A CB -0.290 18.711 19.000 0.003 0.000 1.028 92 A HN 0.597 nan 8.150 nan 0.000 0.498 93 T N 0.641 115.210 114.554 0.026 0.000 2.926 93 T HA 0.468 4.818 4.350 0.001 0.000 0.307 93 T C 0.011 174.727 174.700 0.027 0.000 1.059 93 T CA -0.203 61.929 62.100 0.053 0.000 1.122 93 T CB 0.143 69.037 68.868 0.043 0.000 0.972 93 T HN 0.369 nan 8.240 nan 0.000 0.545 94 I N 2.885 123.486 120.570 0.052 0.000 2.307 94 I HA 0.230 4.400 4.170 0.001 0.000 0.287 94 I C 0.022 176.155 176.117 0.026 0.000 1.054 94 I CA -0.821 60.501 61.300 0.037 0.000 1.218 94 I CB 0.531 38.563 38.000 0.055 0.000 1.398 94 I HN 0.596 nan 8.210 nan 0.000 0.475 95 D N 5.457 125.851 120.400 -0.010 0.000 2.345 95 D HA 0.550 5.191 4.640 0.001 0.000 0.247 95 D C 0.655 176.948 176.300 -0.012 0.000 1.108 95 D CA 0.620 54.602 54.000 -0.031 0.000 0.894 95 D CB 1.847 42.609 40.800 -0.063 0.000 1.203 95 D HN 0.816 nan 8.370 nan 0.000 0.430 96 G N 1.817 110.606 108.800 -0.018 0.000 2.337 96 G HA2 -0.073 3.888 3.960 0.001 0.000 0.197 96 G HA3 -0.073 3.888 3.960 0.001 0.000 0.197 96 G C -1.085 173.836 174.900 0.034 0.000 1.238 96 G CA -0.777 44.319 45.100 -0.007 0.000 1.119 96 G HN 0.469 nan 8.290 nan 0.000 0.514 97 E N -0.926 119.314 120.200 0.066 0.000 2.320 97 E HA 0.660 5.010 4.350 0.001 0.000 0.264 97 E C -0.934 175.721 176.600 0.092 0.000 0.923 97 E CA -0.763 55.716 56.400 0.131 0.000 0.796 97 E CB 2.072 31.880 29.700 0.180 0.000 1.262 97 E HN 0.389 nan 8.360 nan 0.000 0.428 98 T N 1.695 116.304 114.554 0.092 0.000 2.795 98 T HA 0.277 4.628 4.350 0.001 0.000 0.282 98 T C -0.348 174.362 174.700 0.016 0.000 0.980 98 T CA -0.824 61.309 62.100 0.056 0.000 1.012 98 T CB 0.373 69.281 68.868 0.067 0.000 0.936 98 T HN 0.251 nan 8.240 nan 0.000 0.457 99 N N 3.469 122.175 118.700 0.010 0.000 2.444 99 N HA 0.344 5.084 4.740 0.001 0.000 0.271 99 N C -0.622 174.885 175.510 -0.005 0.000 1.069 99 N CA -0.127 52.917 53.050 -0.010 0.000 0.965 99 N CB 1.242 39.726 38.487 -0.004 0.000 1.092 99 N HN 0.520 nan 8.380 nan 0.000 0.476 100 I N 1.325 121.884 120.570 -0.017 0.000 2.433 100 I HA 0.185 4.356 4.170 0.001 0.000 0.292 100 I C 0.097 176.218 176.117 0.008 0.000 1.001 100 I CA -0.557 60.742 61.300 -0.002 0.000 1.119 100 I CB 1.799 39.795 38.000 -0.007 0.000 1.289 100 I HN 0.171 nan 8.210 nan 0.000 0.438 101 T N 7.192 121.756 114.554 0.017 0.000 2.743 101 T HA 0.519 4.869 4.350 0.001 0.000 0.292 101 T C -0.610 174.114 174.700 0.039 0.000 0.972 101 T CA -0.302 61.815 62.100 0.029 0.000 0.967 101 T CB 0.935 69.816 68.868 0.022 0.000 0.926 101 T HN 0.231 nan 8.240 nan 0.000 0.459 102 L N 3.672 124.940 121.223 0.075 0.000 2.385 102 L HA 0.490 4.830 4.340 0.001 0.000 0.273 102 L C -0.259 176.671 176.870 0.100 0.000 0.990 102 L CA -0.608 54.265 54.840 0.054 0.000 0.821 102 L CB 2.067 44.154 42.059 0.048 0.000 1.279 102 L HN 0.592 nan 8.230 nan 0.000 0.412 103 Q N 3.162 122.968 119.800 0.010 0.000 2.293 103 Q HA 0.335 4.675 4.340 0.001 0.000 0.263 103 Q C -1.579 174.409 176.000 -0.020 0.000 1.002 103 Q CA -0.018 55.817 55.803 0.054 0.000 0.910 103 Q CB 0.487 29.240 28.738 0.025 0.000 1.185 103 Q HN 0.607 nan 8.270 nan 0.000 0.401 104 F N 1.671 121.669 119.950 0.081 0.000 2.443 104 F HA 0.368 4.896 4.527 0.001 0.000 0.335 104 F C 0.136 176.110 175.800 0.289 0.000 1.104 104 F CA -0.443 57.660 58.000 0.170 0.000 1.013 104 F CB 2.236 41.337 39.000 0.169 0.000 1.136 104 F HN 0.318 nan 8.300 nan 0.000 0.470 105 T N 2.741 117.513 114.554 0.364 0.000 2.786 105 T HA 0.156 4.507 4.350 0.001 0.000 0.283 105 T C -0.495 174.225 174.700 0.032 0.000 0.992 105 T CA -0.727 61.503 62.100 0.216 0.000 0.954 105 T CB 1.270 70.187 68.868 0.082 0.000 0.934 105 T HN 0.381 nan 8.240 nan 0.000 0.440 106 E N 2.859 122.853 120.200 -0.343 0.000 2.344 106 E HA 0.058 4.408 4.350 0.001 0.000 0.270 106 E C 1.035 177.418 176.600 -0.362 0.000 1.021 106 E CA -0.066 55.847 56.400 -0.812 0.000 0.887 106 E CB 0.810 29.669 29.700 -1.400 0.000 0.997 106 E HN 0.622 nan 8.360 nan 0.000 0.429 107 K N 4.285 124.498 120.400 -0.312 0.000 2.044 107 K HA -0.196 4.124 4.320 0.001 0.000 0.210 107 K C 1.534 178.027 176.600 -0.179 0.000 1.049 107 K CA 1.236 57.408 56.287 -0.193 0.000 0.927 107 K CB 0.213 32.607 32.500 -0.177 0.000 0.713 107 K HN 0.314 nan 8.250 nan 0.000 0.443 108 R N -0.266 120.094 120.500 -0.232 0.000 2.112 108 R HA 0.010 4.351 4.340 0.001 0.000 0.216 108 R C 2.435 178.599 176.300 -0.225 0.000 1.080 108 R CA 1.375 57.339 56.100 -0.226 0.000 0.996 108 R CB -0.180 29.948 30.300 -0.287 0.000 0.902 108 R HN 0.351 nan 8.270 nan 0.000 0.449 109 S N 0.167 115.740 115.700 -0.212 0.000 2.501 109 S HA 0.078 4.548 4.470 0.001 0.000 0.220 109 S C 1.291 175.966 174.600 0.125 0.000 0.997 109 S CA 0.121 58.258 58.200 -0.106 0.000 0.919 109 S CB 0.026 63.219 63.200 -0.011 0.000 0.778 109 S HN 0.360 nan 8.310 nan 0.000 0.523 110 L N -0.090 121.149 121.223 0.026 0.000 4.884 110 L HA -0.132 4.209 4.340 0.001 0.000 0.430 110 L C -0.386 176.557 176.870 0.122 0.000 1.087 110 L CA -0.163 54.713 54.840 0.060 0.000 1.033 110 L CB -1.861 40.247 42.059 0.081 0.000 2.030 110 L HN 0.375 nan 8.230 nan 0.000 0.762 111 I N 1.402 122.080 120.570 0.180 0.000 2.692 111 I HA 0.091 4.262 4.170 0.001 0.000 0.284 111 I C 0.892 177.160 176.117 0.251 0.000 1.159 111 I CA 0.592 62.037 61.300 0.240 0.000 1.423 111 I CB 0.909 39.150 38.000 0.401 0.000 1.380 111 I HN 0.113 nan 8.210 nan 0.000 0.580 112 K N 6.275 126.825 120.400 0.250 0.000 2.259 112 K HA 0.671 4.991 4.320 0.001 0.000 0.249 112 K C -0.571 176.167 176.600 0.230 0.000 0.942 112 K CA -0.869 55.579 56.287 0.268 0.000 0.816 112 K CB 2.303 34.896 32.500 0.156 0.000 1.155 112 K HN 0.371 nan 8.250 nan 0.000 0.428 113 R N 1.457 122.091 120.500 0.224 0.000 2.707 113 R HA 0.277 4.617 4.340 0.001 0.000 0.272 113 R C -1.107 175.256 176.300 0.104 0.000 1.011 113 R CA -0.836 55.303 56.100 0.064 0.000 0.893 113 R CB 1.914 32.125 30.300 -0.148 0.000 1.233 113 R HN 0.694 nan 8.270 nan 0.000 0.464 114 E N 2.199 122.428 120.200 0.049 0.000 2.134 114 E HA 0.449 4.799 4.350 0.001 0.000 0.278 114 E C -0.358 176.260 176.600 0.031 0.000 0.959 114 E CA -0.360 56.087 56.400 0.078 0.000 0.783 114 E CB 1.452 31.179 29.700 0.045 0.000 1.095 114 E HN 0.211 nan 8.360 nan 0.000 0.399 115 L N 2.110 123.392 121.223 0.099 0.000 2.303 115 L HA 0.394 4.735 4.340 0.001 0.000 0.266 115 L C -0.035 176.864 176.870 0.047 0.000 1.011 115 L CA -1.318 53.517 54.840 -0.008 0.000 0.818 115 L CB 1.444 43.398 42.059 -0.174 0.000 1.326 115 L HN 0.315 nan 8.230 nan 0.000 0.435 116 Q N 2.160 121.956 119.800 -0.007 0.000 2.256 116 Q HA 0.507 4.847 4.340 0.001 0.000 0.254 116 Q C -0.734 175.254 176.000 -0.020 0.000 0.916 116 Q CA -0.333 55.464 55.803 -0.010 0.000 0.932 116 Q CB 2.304 31.022 28.738 -0.032 0.000 1.207 116 Q HN 0.294 nan 8.270 nan 0.000 0.426 117 I N 2.066 122.619 120.570 -0.030 0.000 2.530 117 I HA 0.366 4.537 4.170 0.001 0.000 0.297 117 I C 0.140 176.149 176.117 -0.181 0.000 1.011 117 I CA -0.888 60.362 61.300 -0.083 0.000 1.107 117 I CB 1.654 39.642 38.000 -0.020 0.000 1.285 117 I HN 0.233 nan 8.210 nan 0.000 0.436 118 K N 3.630 123.790 120.400 -0.400 0.000 2.159 118 K HA 0.722 5.042 4.320 0.001 0.000 0.266 118 K C -0.048 176.334 176.600 -0.364 0.000 0.975 118 K CA -0.439 55.568 56.287 -0.467 0.000 0.865 118 K CB 2.433 34.393 32.500 -0.901 0.000 1.087 118 K HN 0.898 nan 8.250 nan 0.000 0.446 119 G N 2.003 110.724 108.800 -0.131 0.000 2.612 119 G HA2 0.683 4.644 3.960 0.001 0.000 0.298 119 G HA3 0.683 4.644 3.960 0.001 0.000 0.298 119 G C -1.641 173.309 174.900 0.084 0.000 1.336 119 G CA -0.569 44.480 45.100 -0.086 0.000 0.953 119 G HN 0.526 nan 8.290 nan 0.000 0.482 120 Y N -1.047 119.261 120.300 0.012 0.000 2.689 120 Y HA 0.795 5.346 4.550 0.001 0.000 0.333 120 Y C -0.793 175.102 175.900 -0.007 0.000 1.208 120 Y CA -1.632 56.485 58.100 0.028 0.000 1.055 120 Y CB 1.405 39.903 38.460 0.063 0.000 1.304 120 Y HN 0.780 nan 8.280 nan 0.000 0.455 121 K N 0.858 121.423 120.400 0.276 0.000 2.444 121 K HA 0.795 5.116 4.320 0.001 0.000 0.252 121 K C -1.642 175.054 176.600 0.160 0.000 0.993 121 K CA -1.010 55.350 56.287 0.121 0.000 0.847 121 K CB 2.941 35.484 32.500 0.072 0.000 1.340 121 K HN 0.875 nan 8.250 nan 0.000 0.446 122 Q N 0.773 120.601 119.800 0.046 0.000 2.389 122 Q HA 0.410 4.750 4.340 0.001 0.000 0.277 122 Q C -1.554 174.423 176.000 -0.038 0.000 1.082 122 Q CA -0.764 55.098 55.803 0.097 0.000 0.810 122 Q CB 2.437 31.303 28.738 0.213 0.000 1.374 122 Q HN 0.464 nan 8.270 nan 0.000 0.422 123 F N 1.343 121.448 119.950 0.258 0.000 2.399 123 F HA 0.456 4.983 4.527 0.000 0.000 0.334 123 F C -0.211 175.505 175.800 -0.139 0.000 1.097 123 F CA -0.779 57.219 58.000 -0.003 0.000 1.076 123 F CB 0.976 39.881 39.000 -0.158 0.000 1.162 123 F HN 0.182 nan 8.300 nan 0.000 0.495 124 L N 3.785 124.989 121.223 -0.031 0.000 2.307 124 L HA 0.495 4.836 4.340 0.001 0.000 0.284 124 L C -1.112 175.604 176.870 -0.256 0.000 1.023 124 L CA -0.591 54.263 54.840 0.024 0.000 0.810 124 L CB 1.157 43.360 42.059 0.240 0.000 1.231 124 L HN 0.457 nan 8.230 nan 0.000 0.423 125 F N 1.308 121.372 119.950 0.190 0.000 2.532 125 F HA 0.417 4.945 4.527 0.002 0.000 0.321 125 F C 1.127 177.015 175.800 0.147 0.000 1.089 125 F CA -0.867 57.204 58.000 0.118 0.000 0.926 125 F CB 1.753 40.776 39.000 0.039 0.000 1.168 125 F HN 0.349 nan 8.300 nan 0.000 0.459 126 K N 0.733 121.313 120.400 0.300 0.000 2.026 126 K HA -0.098 4.223 4.320 0.001 0.000 0.208 126 K C 0.587 177.293 176.600 0.176 0.000 1.048 126 K CA 1.424 57.847 56.287 0.227 0.000 0.929 126 K CB 0.021 32.618 32.500 0.163 0.000 0.713 126 K HN 0.545 nan 8.250 nan 0.000 0.439 127 N N -0.861 117.935 118.700 0.159 0.000 2.200 127 N HA 0.155 4.895 4.740 0.001 0.000 0.224 127 N C -0.539 175.014 175.510 0.072 0.000 1.179 127 N CA 0.091 53.200 53.050 0.097 0.000 0.877 127 N CB 1.670 40.197 38.487 0.066 0.000 1.072 127 N HN 0.047 nan 8.380 nan 0.000 0.519 128 A N 0.386 123.263 122.820 0.096 0.000 2.588 128 A HA 0.678 4.999 4.320 0.001 0.000 0.290 128 A C -1.474 176.165 177.584 0.093 0.000 1.136 128 A CA -0.728 51.327 52.037 0.031 0.000 0.681 128 A CB 1.026 19.969 19.000 -0.096 0.000 1.282 128 A HN 0.111 nan 8.150 nan 0.000 0.421 129 N N -0.957 117.776 118.700 0.055 0.000 2.399 129 N HA 0.556 5.297 4.740 0.001 0.000 0.284 129 N C -1.603 173.968 175.510 0.102 0.000 1.025 129 N CA -0.143 52.985 53.050 0.131 0.000 0.885 129 N CB 1.818 40.370 38.487 0.109 0.000 1.339 129 N HN 0.570 nan 8.380 nan 0.000 0.487 130 c N 3.404 122.133 118.600 0.215 0.000 3.287 130 c HA 0.329 4.900 4.570 0.001 0.000 0.260 130 c C -1.858 172.494 174.090 0.437 0.000 1.133 130 c CA -0.902 55.593 56.329 0.278 0.000 1.402 130 c CB 0.656 43.330 42.510 0.274 0.000 1.832 130 c HN 0.668 nan 8.230 nan 0.000 0.509 131 P HA 0.066 nan 4.420 nan 0.000 0.253 131 P C 0.276 177.688 177.300 0.187 0.000 1.508 131 P CA 0.394 63.643 63.100 0.249 0.000 0.883 131 P CB 0.122 31.918 31.700 0.160 0.000 1.519 132 S N 0.823 116.647 115.700 0.207 0.000 2.568 132 S HA 0.085 4.556 4.470 0.001 0.000 0.282 132 S C 0.504 175.133 174.600 0.049 0.000 1.338 132 S CA 0.140 58.373 58.200 0.056 0.000 1.045 132 S CB 0.404 63.559 63.200 -0.075 0.000 0.873 132 S HN 0.163 nan 8.310 nan 0.000 0.516 133 K N 2.362 122.717 120.400 -0.075 0.000 2.258 133 K HA 0.458 4.779 4.320 0.001 0.000 0.284 133 K C -0.706 175.877 176.600 -0.028 0.000 1.051 133 K CA -0.095 56.107 56.287 -0.141 0.000 0.923 133 K CB 0.547 32.731 32.500 -0.526 0.000 1.046 133 K HN 0.419 nan 8.250 nan 0.000 0.474 134 L N 2.009 123.287 121.223 0.092 0.000 2.341 134 L HA 0.567 4.907 4.340 0.001 0.000 0.267 134 L C 0.146 177.109 176.870 0.155 0.000 1.009 134 L CA -1.380 53.526 54.840 0.110 0.000 0.819 134 L CB 1.822 43.977 42.059 0.160 0.000 1.323 134 L HN 0.640 nan 8.230 nan 0.000 0.425 135 A N 1.581 124.479 122.820 0.129 0.000 2.520 135 A HA 0.181 4.502 4.320 0.001 0.000 0.235 135 A C 1.247 178.932 177.584 0.169 0.000 1.065 135 A CA -0.135 51.983 52.037 0.136 0.000 0.764 135 A CB 0.141 19.202 19.000 0.101 0.000 1.002 135 A HN 0.866 nan 8.150 nan 0.000 0.502 136 L N 1.000 122.329 121.223 0.176 0.000 2.081 136 L HA -0.240 4.100 4.340 0.001 0.000 0.212 136 L C 1.982 178.993 176.870 0.235 0.000 1.080 136 L CA 2.254 57.242 54.840 0.247 0.000 0.754 136 L CB -0.557 41.635 42.059 0.222 0.000 0.893 136 L HN 1.034 nan 8.230 nan 0.000 0.433 137 N N -1.368 117.432 118.700 0.167 0.000 2.235 137 N HA -0.020 4.720 4.740 0.001 0.000 0.209 137 N C 0.564 176.163 175.510 0.148 0.000 1.122 137 N CA -0.230 52.904 53.050 0.139 0.000 0.845 137 N CB 0.412 38.965 38.487 0.110 0.000 1.004 137 N HN 0.040 nan 8.380 nan 0.000 0.499 138 S N 0.582 116.387 115.700 0.175 0.000 2.549 138 S HA 0.108 4.578 4.470 0.001 0.000 0.283 138 S C 0.370 175.124 174.600 0.257 0.000 1.320 138 S CA -0.632 57.682 58.200 0.191 0.000 1.058 138 S CB 0.622 63.941 63.200 0.198 0.000 0.882 138 S HN 0.346 nan 8.310 nan 0.000 0.498 139 S N 3.858 119.684 115.700 0.210 0.000 2.606 139 S HA 0.152 4.622 4.470 0.001 0.000 0.257 139 S C 0.420 175.204 174.600 0.307 0.000 1.327 139 S CA -0.636 57.700 58.200 0.227 0.000 0.984 139 S CB -0.043 63.235 63.200 0.129 0.000 0.941 139 S HN 0.954 nan 8.310 nan 0.000 0.576 140 H N 0.041 119.204 119.070 0.155 0.000 2.730 140 H HA 0.397 4.953 4.556 0.001 0.000 0.376 140 H C -0.623 174.804 175.328 0.165 0.000 1.299 140 H CA -0.216 55.834 56.048 0.004 0.000 1.447 140 H CB 0.194 29.788 29.762 -0.280 0.000 1.493 140 H HN 0.596 nan 8.280 nan 0.000 0.619 141 F N -0.919 118.984 119.950 -0.078 0.000 2.601 141 F HA 0.406 4.933 4.527 -0.000 0.000 0.309 141 F C -1.245 174.629 175.800 0.123 0.000 1.089 141 F CA -1.234 56.743 58.000 -0.038 0.000 0.940 141 F CB 1.477 40.517 39.000 0.066 0.000 1.273 141 F HN 0.500 nan 8.300 nan 0.000 0.450 142 Q N 1.884 121.670 119.800 -0.022 0.000 2.230 142 Q HA 0.442 4.783 4.340 0.001 0.000 0.248 142 Q C -1.186 174.635 176.000 -0.298 0.000 0.915 142 Q CA -0.777 54.956 55.803 -0.116 0.000 0.900 142 Q CB 2.115 30.833 28.738 -0.033 0.000 1.229 142 Q HN 0.885 nan 8.270 nan 0.000 0.439 143 c N 3.735 121.965 118.600 -0.617 0.000 2.271 143 c HA 0.267 4.838 4.570 0.001 0.000 0.323 143 c C -0.026 173.825 174.090 -0.398 0.000 1.245 143 c CA -0.282 55.623 56.329 -0.708 0.000 1.548 143 c CB -1.621 39.916 42.510 -1.621 0.000 2.214 143 c HN 1.077 nan 8.230 nan 0.000 0.477 144 N N 4.279 122.860 118.700 -0.199 0.000 2.714 144 N HA -0.171 4.570 4.740 0.001 0.000 0.252 144 N C -0.067 175.381 175.510 -0.103 0.000 1.014 144 N CA 0.514 53.493 53.050 -0.119 0.000 0.735 144 N CB -0.593 37.829 38.487 -0.108 0.000 0.924 144 N HN 0.879 nan 8.380 nan 0.000 0.540 145 R N -1.252 119.192 120.500 -0.092 0.000 3.261 145 R HA -0.203 4.137 4.340 0.001 0.000 0.257 145 R C -0.641 175.618 176.300 -0.069 0.000 1.014 145 R CA 1.089 57.150 56.100 -0.064 0.000 0.681 145 R CB -1.323 28.953 30.300 -0.039 0.000 1.155 145 R HN 0.674 nan 8.270 nan 0.000 0.424 146 E N 0.640 120.784 120.200 -0.095 0.000 2.321 146 E HA 0.169 4.520 4.350 0.001 0.000 0.281 146 E C -0.962 175.611 176.600 -0.045 0.000 0.910 146 E CA -0.576 55.782 56.400 -0.070 0.000 0.770 146 E CB 1.505 31.191 29.700 -0.023 0.000 1.225 146 E HN 0.184 nan 8.360 nan 0.000 0.417 147 Q N 1.223 120.901 119.800 -0.203 0.000 2.373 147 Q HA 0.440 4.780 4.340 0.001 0.000 0.255 147 Q C -0.095 175.767 176.000 -0.230 0.000 0.980 147 Q CA -0.201 55.428 55.803 -0.289 0.000 0.882 147 Q CB 1.296 29.659 28.738 -0.624 0.000 1.249 147 Q HN 0.568 nan 8.270 nan 0.000 0.438 148 A N 1.415 124.041 122.820 -0.322 0.000 2.448 148 A HA 0.111 4.432 4.320 0.001 0.000 0.239 148 A C 0.445 177.867 177.584 -0.270 0.000 1.080 148 A CA -0.061 51.585 52.037 -0.653 0.000 0.779 148 A CB 0.406 18.826 19.000 -0.966 0.000 1.026 148 A HN 0.791 nan 8.150 nan 0.000 0.499 149 S N -0.470 115.078 115.700 -0.253 0.000 2.512 149 S HA 0.468 4.939 4.470 0.001 0.000 0.216 149 S C 0.688 175.098 174.600 -0.316 0.000 1.006 149 S CA 0.451 58.500 58.200 -0.252 0.000 0.915 149 S CB 0.318 63.262 63.200 -0.427 0.000 0.824 149 S HN 1.506 nan 8.310 nan 0.000 0.497 150 G N 0.325 109.082 108.800 -0.071 0.000 2.428 150 G HA2 0.654 4.615 3.960 0.001 0.000 0.304 150 G HA3 0.654 4.615 3.960 0.001 0.000 0.304 150 G C -2.157 172.895 174.900 0.253 0.000 1.303 150 G CA 0.024 45.215 45.100 0.152 0.000 0.825 150 G HN 0.419 nan 8.290 nan 0.000 0.484 151 A N -0.751 122.189 122.820 0.199 0.000 2.574 151 A HA 0.953 5.273 4.320 0.001 0.000 0.297 151 A C -0.177 177.458 177.584 0.084 0.000 1.062 151 A CA 0.303 52.400 52.037 0.099 0.000 0.686 151 A CB 1.526 20.530 19.000 0.007 0.000 1.285 151 A HN 2.088 nan 8.150 nan 0.000 0.403 152 T N -0.824 113.754 114.554 0.041 0.000 2.940 152 T HA 0.712 5.063 4.350 0.001 0.000 0.288 152 T C -0.725 173.960 174.700 -0.024 0.000 1.033 152 T CA -0.635 61.477 62.100 0.022 0.000 1.033 152 T CB 1.324 70.206 68.868 0.024 0.000 1.079 152 T HN 1.325 nan 8.240 nan 0.000 0.496 153 L N 1.328 122.506 121.223 -0.075 0.000 2.334 153 L HA 0.790 5.130 4.340 0.001 0.000 0.276 153 L C -0.714 176.017 176.870 -0.233 0.000 1.014 153 L CA -0.162 54.525 54.840 -0.255 0.000 0.815 153 L CB 2.106 43.923 42.059 -0.402 0.000 1.268 153 L HN 0.898 nan 8.230 nan 0.000 0.428 154 S N 5.150 120.589 115.700 -0.435 0.000 2.538 154 S HA 0.826 5.296 4.470 0.001 0.000 0.288 154 S C -1.055 173.290 174.600 -0.424 0.000 1.108 154 S CA -0.510 57.377 58.200 -0.522 0.000 0.971 154 S CB 1.388 63.948 63.200 -1.067 0.000 1.041 154 S HN 0.543 nan 8.310 nan 0.000 0.483 155 L N 3.592 124.702 121.223 -0.188 0.000 2.422 155 L HA 0.733 5.073 4.340 0.001 0.000 0.264 155 L C -1.332 175.585 176.870 0.079 0.000 0.984 155 L CA -0.980 53.800 54.840 -0.100 0.000 0.819 155 L CB 1.805 43.804 42.059 -0.100 0.000 1.330 155 L HN 0.875 nan 8.230 nan 0.000 0.410 156 Y N 0.435 120.716 120.300 -0.031 0.000 2.609 156 Y HA 0.700 5.250 4.550 0.001 0.000 0.336 156 Y C -1.329 174.599 175.900 0.047 0.000 1.129 156 Y CA -1.295 56.816 58.100 0.019 0.000 1.040 156 Y CB 1.144 39.619 38.460 0.026 0.000 1.310 156 Y HN 0.298 nan 8.280 nan 0.000 0.460 157 I N 3.882 124.582 120.570 0.217 0.000 2.315 157 I HA 0.378 4.549 4.170 0.001 0.000 0.291 157 I C -2.383 173.861 176.117 0.211 0.000 1.006 157 I CA -2.156 59.223 61.300 0.132 0.000 1.265 157 I CB 1.422 39.526 38.000 0.174 0.000 1.387 157 I HN 0.374 nan 8.210 nan 0.000 0.475 158 P HA 0.050 nan 4.420 nan 0.000 0.270 158 P C -0.411 176.926 177.300 0.061 0.000 1.223 158 P CA -0.320 62.879 63.100 0.165 0.000 0.785 158 P CB 0.546 32.297 31.700 0.085 0.000 0.923 159 A N 1.748 124.585 122.820 0.028 0.000 2.498 159 A HA 0.418 4.739 4.320 0.001 0.000 0.239 159 A C 1.553 179.117 177.584 -0.034 0.000 1.068 159 A CA 0.806 52.820 52.037 -0.039 0.000 0.766 159 A CB -1.466 17.508 19.000 -0.043 0.000 1.003 159 A HN 0.865 nan 8.150 nan 0.000 0.497 160 G N 1.361 110.127 108.800 -0.056 0.000 2.225 160 G HA2 -0.301 3.659 3.960 0.001 0.000 0.254 160 G HA3 -0.301 3.659 3.960 0.001 0.000 0.254 160 G C 0.883 175.745 174.900 -0.065 0.000 0.988 160 G CA 1.097 46.169 45.100 -0.047 0.000 0.625 160 G HN 0.859 nan 8.290 nan 0.000 0.527 161 E N 0.544 120.702 120.200 -0.070 0.000 2.085 161 E HA 0.021 4.372 4.350 0.001 0.000 0.194 161 E C 2.695 179.187 176.600 -0.179 0.000 0.994 161 E CA 1.499 57.832 56.400 -0.111 0.000 0.801 161 E CB -0.391 29.250 29.700 -0.099 0.000 0.743 161 E HN 0.626 nan 8.360 nan 0.000 0.453 162 L N 0.619 121.741 121.223 -0.168 0.000 2.191 162 L HA -0.178 4.162 4.340 0.001 0.000 0.212 162 L C 1.570 178.336 176.870 -0.173 0.000 1.103 162 L CA 0.935 55.644 54.840 -0.217 0.000 0.769 162 L CB -0.646 41.313 42.059 -0.166 0.000 0.908 162 L HN 0.159 nan 8.230 nan 0.000 0.438 163 N N 0.699 119.340 118.700 -0.098 0.000 2.430 163 N HA -0.172 4.568 4.740 0.001 0.000 0.186 163 N C 1.480 176.919 175.510 -0.118 0.000 1.032 163 N CA 1.067 54.078 53.050 -0.065 0.000 0.893 163 N CB -0.222 38.247 38.487 -0.031 0.000 0.957 163 N HN 0.412 nan 8.380 nan 0.000 0.442 164 K N 0.038 120.330 120.400 -0.180 0.000 2.418 164 K HA 0.122 4.442 4.320 0.001 0.000 0.195 164 K C 0.190 176.607 176.600 -0.305 0.000 1.035 164 K CA 0.057 56.223 56.287 -0.202 0.000 1.003 164 K CB 0.194 32.579 32.500 -0.193 0.000 0.793 164 K HN 0.152 nan 8.250 nan 0.000 0.494 165 L N 3.350 124.313 121.223 -0.432 0.000 2.410 165 L HA 0.047 4.387 4.340 0.001 0.000 0.273 165 L C -1.143 175.486 176.870 -0.402 0.000 1.152 165 L CA -1.207 53.217 54.840 -0.694 0.000 0.855 165 L CB 0.444 41.874 42.059 -1.049 0.000 1.129 165 L HN -0.024 nan 8.230 nan 0.000 0.463 166 P HA -0.080 nan 4.420 nan 0.000 0.229 166 P C -0.406 176.923 177.300 0.047 0.000 1.160 166 P CA 0.992 63.988 63.100 -0.173 0.000 0.777 166 P CB 0.155 31.745 31.700 -0.183 0.000 0.814 167 F N -3.670 116.455 119.950 0.292 0.000 2.842 167 F HA 0.645 5.173 4.527 0.001 0.000 0.319 167 F C -0.367 175.708 175.800 0.459 0.000 1.159 167 F CA -1.952 56.246 58.000 0.331 0.000 0.902 167 F CB -0.059 39.128 39.000 0.311 0.000 1.311 167 F HN -0.164 nan 8.300 nan 0.000 0.453 168 G N -0.275 108.967 108.800 0.736 0.000 2.483 168 G HA2 0.591 4.551 3.960 0.001 0.000 0.248 168 G HA3 0.591 4.551 3.960 0.001 0.000 0.248 168 G C -0.133 175.123 174.900 0.593 0.000 1.248 168 G CA 0.105 45.581 45.100 0.626 0.000 0.838 168 G HN 1.780 nan 8.290 nan 0.000 0.566 169 G N -1.414 107.636 108.800 0.416 0.000 2.323 169 G HA2 0.408 4.368 3.960 0.001 0.000 0.291 169 G HA3 0.408 4.368 3.960 0.001 0.000 0.291 169 G C -1.649 173.132 174.900 -0.199 0.000 1.278 169 G CA -0.400 44.606 45.100 -0.156 0.000 0.860 169 G HN 1.032 nan 8.290 nan 0.000 0.504 170 V N 0.732 120.407 119.914 -0.399 0.000 2.304 170 V HA 0.433 4.553 4.120 0.001 0.000 0.269 170 V C -0.968 175.030 176.094 -0.161 0.000 1.036 170 V CA -0.233 61.963 62.300 -0.174 0.000 0.840 170 V CB 0.470 32.175 31.823 -0.197 0.000 1.036 170 V HN 0.497 nan 8.190 nan 0.000 0.466 171 W N 4.363 125.708 121.300 0.075 0.000 2.316 171 W HA 0.493 5.154 4.660 0.001 0.000 0.308 171 W C 0.428 177.094 176.519 0.246 0.000 1.106 171 W CA -0.388 57.050 57.345 0.155 0.000 1.262 171 W CB 0.667 30.206 29.460 0.132 0.000 1.233 171 W HN 0.406 nan 8.180 nan 0.000 0.447 172 N N 2.228 121.130 118.700 0.336 0.000 2.361 172 N HA 0.767 5.508 4.740 0.001 0.000 0.302 172 N C -0.909 174.550 175.510 -0.084 0.000 1.074 172 N CA -0.498 52.640 53.050 0.147 0.000 0.850 172 N CB 2.107 40.614 38.487 0.033 0.000 1.228 172 N HN 0.442 nan 8.380 nan 0.000 0.491 173 A N 0.842 123.446 122.820 -0.360 0.000 2.539 173 A HA 0.685 5.005 4.320 0.001 0.000 0.296 173 A C -1.209 176.171 177.584 -0.342 0.000 1.073 173 A CA -0.567 51.082 52.037 -0.647 0.000 0.700 173 A CB 1.357 19.359 19.000 -1.664 0.000 1.296 173 A HN 0.313 nan 8.150 nan 0.000 0.405 174 V N 2.149 121.909 119.914 -0.258 0.000 2.357 174 V HA 0.344 4.464 4.120 0.001 0.000 0.281 174 V C -0.688 175.331 176.094 -0.126 0.000 1.015 174 V CA -0.320 61.890 62.300 -0.150 0.000 0.827 174 V CB 0.948 32.715 31.823 -0.094 0.000 1.018 174 V HN 0.811 nan 8.190 nan 0.000 0.432 175 L N 5.784 126.942 121.223 -0.107 0.000 2.319 175 L HA 0.497 4.837 4.340 0.001 0.000 0.280 175 L C -0.016 176.846 176.870 -0.014 0.000 1.099 175 L CA 0.543 55.347 54.840 -0.061 0.000 0.828 175 L CB 0.521 42.551 42.059 -0.049 0.000 1.150 175 L HN 0.547 nan 8.230 nan 0.000 0.442 176 K N 6.320 126.724 120.400 0.006 0.000 2.345 176 K HA 0.643 4.963 4.320 0.001 0.000 0.255 176 K C -1.489 175.146 176.600 0.059 0.000 0.934 176 K CA -0.522 55.789 56.287 0.039 0.000 0.801 176 K CB 1.790 34.306 32.500 0.027 0.000 1.137 176 K HN 0.538 nan 8.250 nan 0.000 0.424 177 L N 2.653 123.933 121.223 0.094 0.000 2.409 177 L HA 0.387 4.727 4.340 0.001 0.000 0.272 177 L C -0.611 176.299 176.870 0.066 0.000 0.980 177 L CA -1.137 53.762 54.840 0.099 0.000 0.826 177 L CB 1.775 43.919 42.059 0.142 0.000 1.268 177 L HN 0.508 nan 8.230 nan 0.000 0.407 178 N N 1.618 120.343 118.700 0.042 0.000 2.488 178 N HA 0.263 5.004 4.740 0.001 0.000 0.274 178 N C -0.652 174.825 175.510 -0.055 0.000 1.111 178 N CA -0.245 52.798 53.050 -0.011 0.000 0.974 178 N CB 2.016 40.487 38.487 -0.027 0.000 1.089 178 N HN 0.179 nan 8.380 nan 0.000 0.465 179 V N 3.634 123.481 119.914 -0.111 0.000 2.385 179 V HA 0.341 4.461 4.120 0.001 0.000 0.269 179 V C 0.419 176.475 176.094 -0.063 0.000 1.043 179 V CA -0.215 61.965 62.300 -0.199 0.000 0.906 179 V CB 0.275 31.971 31.823 -0.211 0.000 0.995 179 V HN 0.522 nan 8.190 nan 0.000 0.467 180 K N 3.581 123.904 120.400 -0.128 0.000 2.469 180 K HA 0.605 4.926 4.320 0.001 0.000 0.268 180 K C 0.090 176.720 176.600 0.049 0.000 1.027 180 K CA -1.016 55.233 56.287 -0.062 0.000 0.893 180 K CB 2.918 35.352 32.500 -0.111 0.000 1.460 180 K HN 0.363 nan 8.250 nan 0.000 0.449 181 R N 0.588 121.097 120.500 0.016 0.000 1.799 181 R HA 0.251 4.591 4.340 0.001 0.000 0.150 181 R C 0.487 176.816 176.300 0.049 0.000 1.953 181 R CA 0.164 56.323 56.100 0.099 0.000 1.598 181 R CB 0.496 30.841 30.300 0.076 0.000 1.119 181 R HN 0.361 nan 8.270 nan 0.000 0.479 182 R N -1.004 119.515 120.500 0.031 0.000 2.719 182 R HA 0.118 4.458 4.340 0.001 0.000 0.233 182 R C 0.965 177.299 176.300 0.058 0.000 1.257 182 R CA -0.423 55.715 56.100 0.063 0.000 1.109 182 R CB 0.098 30.442 30.300 0.073 0.000 1.447 182 R HN 0.325 nan 8.270 nan 0.000 0.537 183 Y N 1.454 121.738 120.300 -0.026 0.000 2.315 183 Y HA -0.228 4.323 4.550 0.001 0.000 0.288 183 Y C 1.663 177.533 175.900 -0.051 0.000 1.154 183 Y CA 2.099 60.179 58.100 -0.034 0.000 1.229 183 Y CB 0.149 38.598 38.460 -0.018 0.000 0.980 183 Y HN 0.600 nan 8.280 nan 0.000 0.540 184 D N -2.022 118.374 120.400 -0.007 0.000 2.349 184 D HA -0.009 4.632 4.640 0.001 0.000 0.215 184 D C 0.113 176.324 176.300 -0.148 0.000 1.016 184 D CA 0.400 54.357 54.000 -0.072 0.000 0.870 184 D CB -0.291 40.504 40.800 -0.009 0.000 0.917 184 D HN 0.101 nan 8.370 nan 0.000 0.524 185 T N 0.471 114.911 114.554 -0.190 0.000 2.770 185 T HA 0.437 4.787 4.350 0.001 0.000 0.283 185 T C -0.604 173.855 174.700 -0.400 0.000 0.988 185 T CA -0.372 61.550 62.100 -0.297 0.000 0.957 185 T CB 1.813 70.492 68.868 -0.315 0.000 0.930 185 T HN -0.095 nan 8.240 nan 0.000 0.443 186 T N 3.600 117.912 114.554 -0.404 0.000 2.809 186 T HA 0.342 4.692 4.350 0.001 0.000 0.284 186 T C 0.118 174.626 174.700 -0.319 0.000 0.992 186 T CA -0.565 61.334 62.100 -0.336 0.000 0.957 186 T CB 0.940 69.675 68.868 -0.221 0.000 0.942 186 T HN 0.547 nan 8.240 nan 0.000 0.439 187 Y N 1.958 122.211 120.300 -0.079 0.000 2.476 187 Y HA 0.474 5.025 4.550 0.001 0.000 0.283 187 Y C 1.788 177.665 175.900 -0.038 0.000 1.109 187 Y CA 0.365 58.433 58.100 -0.053 0.000 1.246 187 Y CB 0.588 39.004 38.460 -0.074 0.000 1.068 187 Y HN 0.939 nan 8.280 nan 0.000 0.552 188 G N -1.004 107.848 108.800 0.088 0.000 2.368 188 G HA2 0.336 4.297 3.960 0.001 0.000 0.269 188 G HA3 0.336 4.297 3.960 0.001 0.000 0.269 188 G C -1.403 173.519 174.900 0.037 0.000 1.291 188 G CA -0.705 44.435 45.100 0.068 0.000 0.903 188 G HN -0.195 nan 8.290 nan 0.000 0.483 189 T N 0.131 114.737 114.554 0.086 0.000 2.933 189 T HA 0.586 4.937 4.350 0.001 0.000 0.305 189 T C -1.765 173.095 174.700 0.267 0.000 1.092 189 T CA -0.387 61.769 62.100 0.094 0.000 1.008 189 T CB 1.622 70.534 68.868 0.073 0.000 1.102 189 T HN 0.415 nan 8.240 nan 0.000 0.469 190 Y N 1.798 122.141 120.300 0.072 0.000 2.341 190 Y HA 0.489 5.039 4.550 0.001 0.000 0.340 190 Y C 0.791 176.690 175.900 -0.000 0.000 0.997 190 Y CA -1.098 57.022 58.100 0.033 0.000 1.149 190 Y CB 1.177 39.655 38.460 0.031 0.000 1.171 190 Y HN 0.506 nan 8.280 nan 0.000 0.494 191 T N 6.048 120.673 114.554 0.118 0.000 2.791 191 T HA 0.564 4.914 4.350 0.001 0.000 0.288 191 T C -0.098 174.587 174.700 -0.026 0.000 0.999 191 T CA -0.447 61.675 62.100 0.036 0.000 0.952 191 T CB 0.144 69.025 68.868 0.021 0.000 0.938 191 T HN 0.307 nan 8.240 nan 0.000 0.444 192 I N 4.103 124.650 120.570 -0.039 0.000 2.382 192 I HA 0.326 4.496 4.170 0.001 0.000 0.285 192 I C -0.095 175.980 176.117 -0.071 0.000 1.007 192 I CA -0.858 60.398 61.300 -0.075 0.000 1.142 192 I CB 1.133 39.084 38.000 -0.082 0.000 1.289 192 I HN 0.474 nan 8.210 nan 0.000 0.453 193 N N 7.991 126.652 118.700 -0.066 0.000 2.422 193 N HA 0.468 5.209 4.740 0.001 0.000 0.264 193 N C -0.621 174.862 175.510 -0.044 0.000 1.063 193 N CA -0.176 52.837 53.050 -0.061 0.000 0.959 193 N CB 2.281 40.740 38.487 -0.046 0.000 1.087 193 N HN 0.482 nan 8.380 nan 0.000 0.483 194 I N 1.573 122.117 120.570 -0.043 0.000 2.389 194 I HA 0.200 4.371 4.170 0.001 0.000 0.288 194 I C -0.026 176.152 176.117 0.103 0.000 0.999 194 I CA -0.433 60.889 61.300 0.036 0.000 1.129 194 I CB 1.732 39.791 38.000 0.097 0.000 1.288 194 I HN 0.193 nan 8.210 nan 0.000 0.444 195 T N 5.639 120.256 114.554 0.104 0.000 2.792 195 T HA 0.477 4.828 4.350 0.001 0.000 0.280 195 T C -0.319 174.463 174.700 0.137 0.000 0.990 195 T CA -0.477 61.704 62.100 0.134 0.000 0.960 195 T CB 1.884 70.797 68.868 0.074 0.000 0.939 195 T HN 0.169 nan 8.240 nan 0.000 0.439 196 V N 4.373 124.410 119.914 0.206 0.000 2.357 196 V HA 0.348 4.469 4.120 0.001 0.000 0.284 196 V C -0.024 176.199 176.094 0.215 0.000 1.018 196 V CA -1.019 61.357 62.300 0.127 0.000 0.841 196 V CB 1.080 32.932 31.823 0.048 0.000 0.991 196 V HN 0.838 nan 8.190 nan 0.000 0.437 197 N N 4.405 123.214 118.700 0.182 0.000 2.469 197 N HA 0.442 5.183 4.740 0.001 0.000 0.239 197 N C -0.861 174.837 175.510 0.315 0.000 1.053 197 N CA -0.429 52.791 53.050 0.283 0.000 0.937 197 N CB 1.058 39.686 38.487 0.235 0.000 1.163 197 N HN 0.500 nan 8.380 nan 0.000 0.509 198 L N 3.248 124.733 121.223 0.437 0.000 2.294 198 L HA 0.392 4.732 4.340 0.001 0.000 0.283 198 L C 0.267 177.379 176.870 0.404 0.000 1.015 198 L CA -0.352 54.713 54.840 0.375 0.000 0.831 198 L CB 0.705 43.001 42.059 0.394 0.000 1.217 198 L HN 0.475 nan 8.230 nan 0.000 0.420 199 T N -0.077 114.579 114.554 0.170 0.000 2.862 199 T HA 0.512 4.863 4.350 0.001 0.000 0.276 199 T C -0.310 174.434 174.700 0.074 0.000 0.974 199 T CA -0.667 61.450 62.100 0.029 0.000 0.966 199 T CB 1.481 70.234 68.868 -0.191 0.000 1.072 199 T HN 0.496 nan 8.240 nan 0.000 0.538 200 D N -0.804 119.622 120.400 0.044 0.000 2.823 200 D HA 0.259 4.899 4.640 0.001 0.000 0.255 200 D C 0.731 177.041 176.300 0.017 0.000 1.257 200 D CA -0.490 53.548 54.000 0.065 0.000 0.803 200 D CB 0.466 41.364 40.800 0.163 0.000 1.384 200 D HN 0.598 nan 8.370 nan 0.000 0.541 201 K N -0.208 120.176 120.400 -0.028 0.000 2.147 201 K HA -0.043 4.278 4.320 0.001 0.000 0.205 201 K C 1.915 178.512 176.600 -0.004 0.000 1.049 201 K CA 1.193 57.455 56.287 -0.043 0.000 0.936 201 K CB 0.168 32.629 32.500 -0.064 0.000 0.722 201 K HN 0.289 nan 8.250 nan 0.000 0.446 202 G N 0.967 109.779 108.800 0.019 0.000 2.509 202 G HA2 -0.189 3.771 3.960 0.001 0.000 0.218 202 G HA3 -0.189 3.771 3.960 0.001 0.000 0.218 202 G C 1.145 176.094 174.900 0.082 0.000 1.124 202 G CA 0.550 45.676 45.100 0.043 0.000 0.776 202 G HN 0.218 nan 8.290 nan 0.000 0.547 203 N N -0.053 118.712 118.700 0.110 0.000 2.205 203 N HA 0.177 4.917 4.740 0.001 0.000 0.201 203 N C 0.468 176.120 175.510 0.237 0.000 1.128 203 N CA -0.240 52.925 53.050 0.191 0.000 0.867 203 N CB 0.773 39.417 38.487 0.263 0.000 0.996 203 N HN 0.257 nan 8.380 nan 0.000 0.503 204 I N 2.244 122.888 120.570 0.123 0.000 2.710 204 I HA -0.121 4.049 4.170 0.001 0.000 0.286 204 I C 0.560 176.833 176.117 0.261 0.000 1.181 204 I CA 0.671 62.049 61.300 0.129 0.000 1.430 204 I CB 0.312 38.317 38.000 0.008 0.000 1.367 204 I HN 0.152 nan 8.210 nan 0.000 0.577 205 Q N 5.541 125.589 119.800 0.414 0.000 2.702 205 Q HA 0.526 4.867 4.340 0.001 0.000 0.289 205 Q C -1.636 174.627 176.000 0.437 0.000 0.923 205 Q CA -0.966 55.071 55.803 0.391 0.000 0.787 205 Q CB 1.640 30.573 28.738 0.326 0.000 1.476 205 Q HN 0.464 nan 8.270 nan 0.000 0.402 206 I N 1.391 122.147 120.570 0.309 0.000 2.315 206 I HA 0.398 4.569 4.170 0.001 0.000 0.291 206 I C -1.145 175.053 176.117 0.136 0.000 1.006 206 I CA -0.349 61.006 61.300 0.092 0.000 1.265 206 I CB 0.692 38.698 38.000 0.010 0.000 1.387 206 I HN 0.572 nan 8.210 nan 0.000 0.475 207 W N 8.328 129.564 121.300 -0.106 0.000 2.475 207 W HA 0.614 5.275 4.660 0.001 0.000 0.317 207 W C -1.546 174.927 176.519 -0.077 0.000 1.046 207 W CA -0.652 56.662 57.345 -0.052 0.000 1.215 207 W CB 1.026 30.463 29.460 -0.039 0.000 1.335 207 W HN 0.211 nan 8.180 nan 0.000 0.471 208 L N 9.573 130.480 121.223 -0.526 0.000 2.316 208 L HA 0.314 4.655 4.340 0.001 0.000 0.280 208 L C -1.370 174.963 176.870 -0.894 0.000 1.006 208 L CA -1.934 52.629 54.840 -0.461 0.000 0.836 208 L CB 1.805 43.783 42.059 -0.135 0.000 1.221 208 L HN 0.334 nan 8.230 nan 0.000 0.418 209 P HA -0.198 nan 4.420 nan 0.000 0.216 209 P C 1.202 178.150 177.300 -0.588 0.000 1.150 209 P CA 1.087 63.590 63.100 -0.995 0.000 0.837 209 P CB 0.377 31.832 31.700 -0.408 0.000 0.786 210 Q N -1.634 117.866 119.800 -0.500 0.000 2.378 210 Q HA 0.018 4.358 4.340 0.001 0.000 0.205 210 Q C -0.385 175.072 176.000 -0.905 0.000 0.954 210 Q CA 0.497 55.889 55.803 -0.685 0.000 0.901 210 Q CB 0.044 28.297 28.738 -0.809 0.000 0.981 210 Q HN 0.189 nan 8.270 nan 0.000 0.483 211 F N -0.440 119.357 119.950 -0.256 0.000 2.612 211 F HA 0.343 4.871 4.527 0.001 0.000 0.332 211 F C 0.554 176.232 175.800 -0.203 0.000 1.167 211 F CA -0.861 57.029 58.000 -0.185 0.000 0.970 211 F CB 1.423 40.340 39.000 -0.138 0.000 1.234 211 F HN -0.277 nan 8.300 nan 0.000 0.453 212 K N 0.983 121.391 120.400 0.013 0.000 2.217 212 K HA 0.014 4.334 4.320 0.001 0.000 0.202 212 K C 0.349 176.975 176.600 0.042 0.000 1.051 212 K CA 0.966 57.254 56.287 0.002 0.000 0.952 212 K CB 0.280 32.794 32.500 0.022 0.000 0.736 212 K HN 0.748 nan 8.250 nan 0.000 0.453 213 S N -1.444 114.302 115.700 0.076 0.000 2.672 213 S HA 0.217 4.687 4.470 0.001 0.000 0.271 213 S C -0.862 173.761 174.600 0.038 0.000 1.171 213 S CA -0.947 57.282 58.200 0.048 0.000 0.817 213 S CB 0.775 63.998 63.200 0.039 0.000 1.150 213 S HN 0.253 nan 8.310 nan 0.000 0.478 214 N N 0.177 118.859 118.700 -0.031 0.000 2.699 214 N HA -0.107 4.634 4.740 0.001 0.000 0.256 214 N C -0.010 175.308 175.510 -0.319 0.000 0.993 214 N CA 0.909 53.897 53.050 -0.103 0.000 0.759 214 N CB -1.523 36.939 38.487 -0.041 0.000 0.906 214 N HN 1.187 nan 8.380 nan 0.000 0.541 215 A N 0.692 123.215 122.820 -0.495 0.000 2.511 215 A HA 0.530 4.850 4.320 0.001 0.000 0.242 215 A C 0.677 177.753 177.584 -0.846 0.000 1.069 215 A CA 0.364 51.692 52.037 -1.181 0.000 0.763 215 A CB 0.461 19.057 19.000 -0.673 0.000 1.001 215 A HN 0.429 nan 8.150 nan 0.000 0.498 216 R N 0.299 120.188 120.500 -1.019 0.000 2.626 216 R HA 0.620 4.960 4.340 0.001 0.000 0.274 216 R C -1.583 174.576 176.300 -0.235 0.000 1.031 216 R CA -0.680 55.173 56.100 -0.411 0.000 0.898 216 R CB 2.538 32.695 30.300 -0.238 0.000 1.222 216 R HN 0.639 nan 8.270 nan 0.000 0.455 217 V N -1.277 118.557 119.914 -0.134 0.000 2.971 217 V HA 0.504 4.624 4.120 0.001 0.000 0.309 217 V C -1.092 174.956 176.094 -0.076 0.000 1.130 217 V CA -1.042 61.221 62.300 -0.063 0.000 0.964 217 V CB 2.304 34.085 31.823 -0.071 0.000 1.029 217 V HN 0.754 nan 8.190 nan 0.000 0.427 218 D N 1.286 121.656 120.400 -0.049 0.000 2.192 218 D HA 0.566 5.207 4.640 0.001 0.000 0.246 218 D C 0.857 177.113 176.300 -0.072 0.000 1.042 218 D CA -0.587 53.379 54.000 -0.056 0.000 0.847 218 D CB 1.861 42.647 40.800 -0.023 0.000 1.186 218 D HN 0.567 nan 8.370 nan 0.000 0.461 219 L N 2.565 123.726 121.223 -0.102 0.000 2.465 219 L HA 0.019 4.359 4.340 0.001 0.000 0.224 219 L C 0.286 177.126 176.870 -0.050 0.000 1.145 219 L CA 0.059 54.837 54.840 -0.104 0.000 0.834 219 L CB -0.582 41.389 42.059 -0.147 0.000 0.944 219 L HN 0.561 nan 8.230 nan 0.000 0.451 220 N N 0.736 119.419 118.700 -0.028 0.000 2.714 220 N HA -0.166 4.574 4.740 0.001 0.000 0.253 220 N C -0.423 175.096 175.510 0.016 0.000 1.024 220 N CA 0.434 53.482 53.050 -0.003 0.000 0.726 220 N CB -1.187 37.298 38.487 -0.005 0.000 0.908 220 N HN 0.044 nan 8.380 nan 0.000 0.542 221 L N 0.668 121.909 121.223 0.030 0.000 2.514 221 L HA 0.083 4.424 4.340 0.001 0.000 0.280 221 L C 1.255 178.199 176.870 0.124 0.000 1.223 221 L CA 0.843 55.734 54.840 0.086 0.000 0.864 221 L CB 0.220 42.339 42.059 0.100 0.000 1.118 221 L HN 0.318 nan 8.230 nan 0.000 0.494 222 R N 2.818 123.385 120.500 0.113 0.000 2.621 222 R HA 0.651 4.991 4.340 0.001 0.000 0.284 222 R C -2.814 173.406 176.300 -0.134 0.000 0.998 222 R CA -1.982 54.140 56.100 0.036 0.000 0.895 222 R CB 1.065 31.360 30.300 -0.008 0.000 1.195 222 R HN 0.255 nan 8.270 nan 0.000 0.450 223 P HA 0.076 nan 4.420 nan 0.000 0.276 223 P C 0.256 177.343 177.300 -0.354 0.000 1.243 223 P CA -0.275 62.373 63.100 -0.754 0.000 0.768 223 P CB 1.324 32.631 31.700 -0.655 0.000 0.856 224 T N -0.194 114.181 114.554 -0.299 0.000 3.001 224 T HA 0.478 4.828 4.350 0.001 0.000 0.251 224 T C 0.670 175.291 174.700 -0.133 0.000 1.040 224 T CA 0.206 62.211 62.100 -0.159 0.000 0.985 224 T CB -0.392 68.415 68.868 -0.100 0.000 1.011 224 T HN 0.684 nan 8.240 nan 0.000 0.509 225 G N -0.590 108.111 108.800 -0.165 0.000 2.465 225 G HA2 0.448 4.409 3.960 0.001 0.000 0.681 225 G HA3 0.448 4.409 3.960 0.001 0.000 0.681 225 G C 0.421 175.281 174.900 -0.066 0.000 1.340 225 G CA -0.184 44.854 45.100 -0.104 0.000 0.884 225 G HN 1.376 nan 8.290 nan 0.000 0.650 226 G N -0.791 107.986 108.800 -0.037 0.000 2.160 226 G HA2 0.367 4.328 3.960 0.001 0.000 0.251 226 G HA3 0.367 4.328 3.960 0.001 0.000 0.251 226 G C 2.052 176.970 174.900 0.029 0.000 1.008 226 G CA 1.226 46.324 45.100 -0.004 0.000 0.724 226 G HN 3.101 nan 8.290 nan 0.000 0.514 227 G N -2.533 106.287 108.800 0.034 0.000 2.176 227 G HA2 -0.088 3.873 3.960 0.001 0.000 0.253 227 G HA3 -0.088 3.873 3.960 0.001 0.000 0.253 227 G C 0.422 175.427 174.900 0.175 0.000 0.979 227 G CA 0.853 46.032 45.100 0.132 0.000 0.641 227 G HN 1.654 nan 8.290 nan 0.000 0.530 228 T N 0.798 115.377 114.554 0.041 0.000 2.869 228 T HA 0.560 4.910 4.350 0.001 0.000 0.295 228 T C -0.620 174.050 174.700 -0.050 0.000 0.987 228 T CA 0.338 62.472 62.100 0.057 0.000 1.109 228 T CB 1.022 69.890 68.868 0.001 0.000 0.932 228 T HN 0.222 nan 8.240 nan 0.000 0.518 229 Y N 1.868 122.163 120.300 -0.008 0.000 2.409 229 Y HA 0.617 5.167 4.550 0.001 0.000 0.343 229 Y C 0.142 176.029 175.900 -0.021 0.000 0.973 229 Y CA -1.186 56.904 58.100 -0.016 0.000 1.064 229 Y CB 1.330 39.774 38.460 -0.027 0.000 1.207 229 Y HN 0.443 nan 8.280 nan 0.000 0.452 230 I N 2.124 122.744 120.570 0.083 0.000 2.582 230 I HA 0.745 4.915 4.170 0.001 0.000 0.292 230 I C -0.102 176.038 176.117 0.037 0.000 1.066 230 I CA -0.643 60.683 61.300 0.043 0.000 1.053 230 I CB 2.404 40.408 38.000 0.006 0.000 1.241 230 I HN 0.772 nan 8.210 nan 0.000 0.421 231 G N 4.618 113.431 108.800 0.021 0.000 2.690 231 G HA2 0.730 4.691 3.960 0.001 0.000 0.293 231 G HA3 0.730 4.691 3.960 0.001 0.000 0.293 231 G C -1.789 173.104 174.900 -0.012 0.000 1.399 231 G CA -0.639 44.464 45.100 0.004 0.000 0.890 231 G HN 0.604 nan 8.290 nan 0.000 0.485 232 R N 0.812 121.300 120.500 -0.019 0.000 2.535 232 R HA 0.528 4.869 4.340 0.001 0.000 0.274 232 R C -1.968 174.314 176.300 -0.031 0.000 1.090 232 R CA -0.707 55.378 56.100 -0.025 0.000 0.930 232 R CB 1.916 32.205 30.300 -0.017 0.000 1.223 232 R HN 0.578 nan 8.270 nan 0.000 0.441 233 N N 0.375 119.050 118.700 -0.041 0.000 2.934 233 N HA 0.508 5.249 4.740 0.001 0.000 0.253 233 N C -1.935 173.553 175.510 -0.036 0.000 1.466 233 N CA -0.418 52.610 53.050 -0.036 0.000 0.858 233 N CB 2.817 41.280 38.487 -0.040 0.000 1.459 233 N HN 0.515 nan 8.380 nan 0.000 0.532 234 S N -0.472 115.216 115.700 -0.020 0.000 2.564 234 S HA 0.726 5.197 4.470 0.001 0.000 0.274 234 S C -1.485 173.120 174.600 0.009 0.000 1.124 234 S CA -0.465 57.727 58.200 -0.013 0.000 0.869 234 S CB 1.520 64.716 63.200 -0.007 0.000 1.105 234 S HN 0.258 nan 8.310 nan 0.000 0.472 235 V N 2.772 122.696 119.914 0.015 0.000 2.525 235 V HA 0.392 4.513 4.120 0.001 0.000 0.299 235 V C -1.060 175.056 176.094 0.036 0.000 1.034 235 V CA -1.007 61.321 62.300 0.047 0.000 0.863 235 V CB 1.918 33.771 31.823 0.049 0.000 0.999 235 V HN 0.770 nan 8.190 nan 0.000 0.423 236 D N 6.185 126.599 120.400 0.024 0.000 2.350 236 D HA 0.593 5.234 4.640 0.001 0.000 0.249 236 D C -0.007 176.281 176.300 -0.019 0.000 1.119 236 D CA 0.228 54.233 54.000 0.008 0.000 0.886 236 D CB 1.384 42.175 40.800 -0.014 0.000 1.195 236 D HN 0.644 nan 8.370 nan 0.000 0.437 237 M N -0.315 119.272 119.600 -0.021 0.000 2.465 237 M HA 0.489 4.970 4.480 0.001 0.000 0.284 237 M C -1.632 174.590 176.300 -0.129 0.000 1.212 237 M CA -0.902 54.322 55.300 -0.127 0.000 0.910 237 M CB 1.950 34.406 32.600 -0.240 0.000 1.725 237 M HN 0.192 nan 8.290 nan 0.000 0.477 238 c N 2.503 121.037 118.600 -0.110 0.000 2.408 238 c HA 0.787 5.358 4.570 0.001 0.000 0.321 238 c C -1.059 172.917 174.090 -0.190 0.000 1.245 238 c CA -0.372 55.965 56.329 0.014 0.000 1.523 238 c CB 0.726 43.396 42.510 0.266 0.000 2.178 238 c HN 0.804 nan 8.230 nan 0.000 0.488 239 F N 4.518 124.551 119.950 0.138 0.000 2.405 239 F HA 0.424 4.951 4.527 0.001 0.000 0.355 239 F C -0.145 175.848 175.800 0.322 0.000 1.121 239 F CA -0.325 57.663 58.000 -0.021 0.000 1.112 239 F CB 0.588 39.291 39.000 -0.494 0.000 1.126 239 F HN 0.555 nan 8.300 nan 0.000 0.481 240 Y N 4.211 124.741 120.300 0.384 0.000 2.331 240 Y HA 0.262 4.812 4.550 0.001 0.000 0.334 240 Y C 0.403 176.585 175.900 0.471 0.000 0.960 240 Y CA -1.906 56.368 58.100 0.291 0.000 1.130 240 Y CB 1.006 39.525 38.460 0.098 0.000 1.164 240 Y HN 0.638 nan 8.280 nan 0.000 0.458 241 D N 2.806 123.156 120.400 -0.084 0.000 2.328 241 D HA 0.121 4.761 4.640 0.001 0.000 0.226 241 D C 1.529 177.598 176.300 -0.385 0.000 1.066 241 D CA 0.490 54.465 54.000 -0.042 0.000 0.861 241 D CB -0.286 40.684 40.800 0.284 0.000 0.912 241 D HN 0.950 nan 8.370 nan 0.000 0.521 242 G N 0.347 108.440 108.800 -1.178 0.000 2.233 242 G HA2 -0.358 3.602 3.960 0.001 0.000 0.270 242 G HA3 -0.358 3.602 3.960 0.001 0.000 0.270 242 G C 0.048 174.904 174.900 -0.074 0.000 1.011 242 G CA 0.712 45.458 45.100 -0.591 0.000 0.762 242 G HN 0.463 nan 8.290 nan 0.000 0.511 243 Y N -0.537 119.589 120.300 -0.291 0.000 2.830 243 Y HA 0.433 4.984 4.550 0.001 0.000 0.248 243 Y C 1.090 176.933 175.900 -0.095 0.000 1.119 243 Y CA -0.156 57.900 58.100 -0.075 0.000 1.164 243 Y CB 0.247 38.679 38.460 -0.047 0.000 1.237 243 Y HN 0.703 nan 8.280 nan 0.000 0.598 244 S N 1.117 116.744 115.700 -0.122 0.000 3.521 244 S HA -0.263 4.208 4.470 0.001 0.000 0.328 244 S C 0.762 175.121 174.600 -0.400 0.000 1.165 244 S CA 2.421 60.443 58.200 -0.297 0.000 0.941 244 S CB -1.944 61.083 63.200 -0.288 0.000 0.951 244 S HN 1.575 nan 8.310 nan 0.000 0.539 245 T N -2.382 111.924 114.554 -0.414 0.000 4.358 245 T HA -0.219 4.131 4.350 0.001 0.000 0.326 245 T C 0.353 175.003 174.700 -0.084 0.000 0.793 245 T CA 1.335 63.106 62.100 -0.548 0.000 1.973 245 T CB -2.379 65.812 68.868 -1.128 0.000 1.915 245 T HN 0.661 nan 8.240 nan 0.000 0.920 246 N N 0.346 118.996 118.700 -0.084 0.000 2.446 246 N HA 0.065 4.805 4.740 0.001 0.000 0.179 246 N C 0.350 175.983 175.510 0.206 0.000 1.054 246 N CA 0.417 53.419 53.050 -0.080 0.000 0.905 246 N CB 0.233 38.398 38.487 -0.537 0.000 0.973 246 N HN 0.650 nan 8.380 nan 0.000 0.448 247 S N 0.755 116.699 115.700 0.406 0.000 2.546 247 S HA -0.025 4.446 4.470 0.001 0.000 0.290 247 S C 1.515 176.260 174.600 0.241 0.000 1.290 247 S CA -0.254 58.161 58.200 0.358 0.000 1.069 247 S CB 0.957 64.384 63.200 0.378 0.000 0.846 247 S HN 0.391 nan 8.310 nan 0.000 0.495 248 S N 1.798 117.579 115.700 0.134 0.000 2.461 248 S HA 0.061 4.532 4.470 0.001 0.000 0.228 248 S C 0.660 175.260 174.600 -0.002 0.000 1.005 248 S CA 0.322 58.563 58.200 0.068 0.000 0.942 248 S CB -0.209 63.020 63.200 0.049 0.000 0.776 248 S HN 0.838 nan 8.310 nan 0.000 0.514 249 S N -0.031 115.651 115.700 -0.031 0.000 2.570 249 S HA 0.718 5.188 4.470 0.001 0.000 0.270 249 S C -1.286 173.242 174.600 -0.121 0.000 1.149 249 S CA -1.180 56.959 58.200 -0.102 0.000 0.837 249 S CB 1.112 64.268 63.200 -0.074 0.000 1.124 249 S HN 0.285 nan 8.310 nan 0.000 0.465 250 L N 1.083 122.202 121.223 -0.172 0.000 2.362 250 L HA 0.653 4.994 4.340 0.001 0.000 0.271 250 L C -0.195 176.632 176.870 -0.072 0.000 1.002 250 L CA -0.596 54.188 54.840 -0.092 0.000 0.818 250 L CB 1.935 43.861 42.059 -0.221 0.000 1.298 250 L HN 0.822 nan 8.230 nan 0.000 0.420 251 E N 3.471 123.664 120.200 -0.012 0.000 2.129 251 E HA 0.539 4.890 4.350 0.001 0.000 0.268 251 E C -1.389 175.222 176.600 0.017 0.000 0.900 251 E CA -0.444 55.938 56.400 -0.031 0.000 0.755 251 E CB 1.373 31.042 29.700 -0.053 0.000 1.117 251 E HN 0.472 nan 8.360 nan 0.000 0.410 252 I N 4.451 124.984 120.570 -0.062 0.000 2.436 252 I HA 0.432 4.602 4.170 0.001 0.000 0.289 252 I C -0.285 175.729 176.117 -0.172 0.000 1.010 252 I CA -0.791 60.421 61.300 -0.146 0.000 1.098 252 I CB 1.958 39.753 38.000 -0.342 0.000 1.266 252 I HN 0.382 nan 8.210 nan 0.000 0.434 253 R N 5.793 126.146 120.500 -0.244 0.000 2.621 253 R HA 0.637 4.977 4.340 0.001 0.000 0.292 253 R C -2.014 174.085 176.300 -0.335 0.000 0.969 253 R CA -0.442 55.559 56.100 -0.166 0.000 0.887 253 R CB 1.521 31.800 30.300 -0.033 0.000 1.180 253 R HN 0.362 nan 8.270 nan 0.000 0.450 254 F N 2.517 122.561 119.950 0.156 0.000 2.427 254 F HA 0.405 4.932 4.527 0.001 0.000 0.348 254 F C 0.089 176.066 175.800 0.295 0.000 1.125 254 F CA -0.493 57.638 58.000 0.217 0.000 0.989 254 F CB 2.075 41.200 39.000 0.209 0.000 1.165 254 F HN 0.384 nan 8.300 nan 0.000 0.442 255 Q N 2.262 122.292 119.800 0.383 0.000 2.372 255 Q HA 0.377 4.718 4.340 0.001 0.000 0.273 255 Q C -1.881 174.304 176.000 0.308 0.000 1.078 255 Q CA -0.961 55.007 55.803 0.276 0.000 0.806 255 Q CB 2.660 31.481 28.738 0.138 0.000 1.332 255 Q HN 0.715 nan 8.270 nan 0.000 0.435 256 D N 1.457 122.006 120.400 0.247 0.000 2.391 256 D HA 0.151 4.792 4.640 0.001 0.000 0.245 256 D C -0.595 175.801 176.300 0.160 0.000 1.069 256 D CA -0.469 53.694 54.000 0.271 0.000 0.831 256 D CB 1.354 42.400 40.800 0.410 0.000 1.204 256 D HN 0.341 nan 8.370 nan 0.000 0.503 257 D N 2.800 123.290 120.400 0.151 0.000 2.629 257 D HA 0.002 4.642 4.640 0.001 0.000 0.259 257 D C -0.548 175.808 176.300 0.094 0.000 1.305 257 D CA 0.439 54.502 54.000 0.105 0.000 0.937 257 D CB -0.789 40.057 40.800 0.076 0.000 1.055 257 D HN 0.435 nan 8.370 nan 0.000 0.471 258 N N -0.504 118.258 118.700 0.104 0.000 2.844 258 N HA 0.034 4.775 4.740 0.001 0.000 0.268 258 N C -0.739 174.806 175.510 0.058 0.000 1.574 258 N CA -0.188 52.913 53.050 0.085 0.000 0.838 258 N CB 1.092 39.665 38.487 0.143 0.000 1.177 258 N HN -0.209 nan 8.380 nan 0.000 0.495 259 S N 1.540 117.259 115.700 0.032 0.000 3.024 259 S HA 0.093 4.563 4.470 0.001 0.000 0.316 259 S C -0.431 174.168 174.600 -0.001 0.000 1.197 259 S CA -0.111 58.097 58.200 0.013 0.000 1.097 259 S CB -0.428 62.779 63.200 0.011 0.000 1.471 259 S HN 0.265 nan 8.310 nan 0.000 0.543 260 K N 2.924 123.322 120.400 -0.002 0.000 2.507 260 K HA 0.253 4.573 4.320 0.001 0.000 0.253 260 K C -0.316 176.281 176.600 -0.006 0.000 0.969 260 K CA -0.466 55.812 56.287 -0.015 0.000 0.908 260 K CB 1.562 34.038 32.500 -0.041 0.000 1.127 260 K HN 0.225 nan 8.250 nan 0.000 0.437 261 S N 4.340 120.032 115.700 -0.013 0.000 2.811 261 S HA -0.047 4.424 4.470 0.001 0.000 0.325 261 S C -0.313 174.277 174.600 -0.017 0.000 1.224 261 S CA 0.672 58.861 58.200 -0.019 0.000 1.125 261 S CB -0.433 62.756 63.200 -0.018 0.000 0.867 261 S HN 0.762 nan 8.310 nan 0.000 0.512 262 D N 1.256 121.636 120.400 -0.033 0.000 2.983 262 D HA 0.044 4.684 4.640 0.001 0.000 0.269 262 D C 0.198 176.434 176.300 -0.106 0.000 1.121 262 D CA -0.598 53.377 54.000 -0.041 0.000 0.724 262 D CB 0.281 41.082 40.800 0.003 0.000 1.381 262 D HN 0.361 nan 8.370 nan 0.000 0.442 263 G N 0.380 109.102 108.800 -0.130 0.000 3.210 263 G HA2 0.117 4.077 3.960 0.001 0.000 0.220 263 G HA3 0.117 4.077 3.960 0.001 0.000 0.220 263 G C 0.265 174.934 174.900 -0.386 0.000 1.200 263 G CA -0.056 44.910 45.100 -0.223 0.000 0.834 263 G HN 0.357 nan 8.290 nan 0.000 0.524 264 K N -0.159 120.016 120.400 -0.375 0.000 2.098 264 K HA 0.537 4.857 4.320 0.001 0.000 0.258 264 K C -1.134 174.987 176.600 -0.799 0.000 0.973 264 K CA -0.546 55.422 56.287 -0.533 0.000 0.898 264 K CB 1.417 33.628 32.500 -0.482 0.000 1.057 264 K HN 0.048 nan 8.250 nan 0.000 0.447 265 F N 1.371 120.896 119.950 -0.710 0.000 2.469 265 F HA 0.390 4.918 4.527 0.001 0.000 0.332 265 F C -0.474 174.819 175.800 -0.845 0.000 1.103 265 F CA -0.614 56.943 58.000 -0.739 0.000 0.979 265 F CB 0.982 39.281 39.000 -1.169 0.000 1.137 265 F HN 0.340 nan 8.300 nan 0.000 0.463 266 Y N 2.583 122.930 120.300 0.078 0.000 2.477 266 Y HA 0.610 5.160 4.550 0.001 0.000 0.347 266 Y C -0.597 175.507 175.900 0.341 0.000 0.981 266 Y CA -1.097 57.118 58.100 0.193 0.000 1.033 266 Y CB 1.726 40.249 38.460 0.104 0.000 1.245 266 Y HN 0.285 nan 8.280 nan 0.000 0.455 267 L N 3.513 125.029 121.223 0.488 0.000 2.334 267 L HA 0.551 4.891 4.340 0.001 0.000 0.275 267 L C -0.384 176.703 176.870 0.363 0.000 1.036 267 L CA -1.138 53.915 54.840 0.355 0.000 0.807 267 L CB 1.188 43.386 42.059 0.232 0.000 1.231 267 L HN 0.469 nan 8.230 nan 0.000 0.438 268 K N 2.036 122.605 120.400 0.282 0.000 2.164 268 K HA 0.320 4.641 4.320 0.001 0.000 0.258 268 K C -0.601 176.076 176.600 0.129 0.000 0.951 268 K CA -0.833 55.580 56.287 0.210 0.000 0.844 268 K CB 2.201 34.761 32.500 0.101 0.000 1.099 268 K HN 0.405 nan 8.250 nan 0.000 0.435 269 K N 2.569 122.935 120.400 -0.058 0.000 2.412 269 K HA 0.081 4.401 4.320 0.001 0.000 0.281 269 K C 1.191 177.634 176.600 -0.261 0.000 1.027 269 K CA 0.010 55.977 56.287 -0.535 0.000 0.989 269 K CB 0.365 32.489 32.500 -0.627 0.000 0.935 269 K HN 0.500 nan 8.250 nan 0.000 0.475 270 I N 3.197 123.613 120.570 -0.256 0.000 2.286 270 I HA -0.275 3.895 4.170 0.001 0.000 0.248 270 I C 1.239 177.288 176.117 -0.115 0.000 1.115 270 I CA 0.993 62.213 61.300 -0.134 0.000 1.392 270 I CB -0.080 37.856 38.000 -0.107 0.000 1.065 270 I HN 0.672 nan 8.210 nan 0.000 0.418 271 N N -0.106 118.508 118.700 -0.144 0.000 2.280 271 N HA 0.001 4.741 4.740 0.001 0.000 0.192 271 N C -0.268 175.185 175.510 -0.095 0.000 1.109 271 N CA 0.528 53.516 53.050 -0.104 0.000 0.855 271 N CB 0.371 38.800 38.487 -0.097 0.000 0.974 271 N HN 0.223 nan 8.380 nan 0.000 0.482 272 D N 0.262 120.594 120.400 -0.113 0.000 2.351 272 D HA 0.009 4.650 4.640 0.001 0.000 0.235 272 D C -0.375 175.882 176.300 -0.071 0.000 1.331 272 D CA -0.371 53.578 54.000 -0.084 0.000 0.959 272 D CB 0.409 41.157 40.800 -0.086 0.000 1.432 272 D HN 0.048 nan 8.370 nan 0.000 0.544 273 D N 0.219 120.590 120.400 -0.048 0.000 2.392 273 D HA -0.133 4.507 4.640 0.001 0.000 0.228 273 D C 1.399 177.685 176.300 -0.023 0.000 1.003 273 D CA 0.813 54.796 54.000 -0.029 0.000 0.917 273 D CB 0.238 41.026 40.800 -0.020 0.000 0.890 273 D HN 0.154 nan 8.370 nan 0.000 0.532 274 S N -1.526 114.158 115.700 -0.026 0.000 2.527 274 S HA 0.041 4.512 4.470 0.001 0.000 0.222 274 S C 0.677 175.272 174.600 -0.010 0.000 0.985 274 S CA -0.255 57.931 58.200 -0.024 0.000 0.921 274 S CB -0.078 63.108 63.200 -0.024 0.000 0.772 274 S HN -0.024 nan 8.310 nan 0.000 0.529 275 K N 1.536 121.941 120.400 0.009 0.000 2.185 275 K HA 0.625 4.946 4.320 0.001 0.000 0.269 275 K C -0.535 176.162 176.600 0.162 0.000 0.987 275 K CA -0.193 56.135 56.287 0.067 0.000 0.865 275 K CB 1.597 34.137 32.500 0.067 0.000 1.090 275 K HN 0.315 nan 8.250 nan 0.000 0.450 276 E N 1.421 121.732 120.200 0.184 0.000 2.359 276 E HA 0.569 4.919 4.350 0.001 0.000 0.266 276 E C -1.390 175.338 176.600 0.213 0.000 0.920 276 E CA -1.015 55.528 56.400 0.238 0.000 0.788 276 E CB 2.249 32.013 29.700 0.107 0.000 1.279 276 E HN 0.247 nan 8.360 nan 0.000 0.438 277 L N 1.696 123.037 121.223 0.197 0.000 2.439 277 L HA 0.432 4.773 4.340 0.001 0.000 0.270 277 L C -1.421 175.562 176.870 0.187 0.000 0.972 277 L CA -0.860 53.994 54.840 0.023 0.000 0.836 277 L CB 1.506 43.334 42.059 -0.386 0.000 1.255 277 L HN 0.341 nan 8.230 nan 0.000 0.404 278 V N 4.558 124.551 119.914 0.132 0.000 2.834 278 V HA 0.395 4.516 4.120 0.001 0.000 0.301 278 V C -0.514 175.636 176.094 0.092 0.000 1.066 278 V CA -0.084 62.209 62.300 -0.012 0.000 1.052 278 V CB 1.019 32.792 31.823 -0.083 0.000 1.021 278 V HN 0.749 nan 8.190 nan 0.000 0.480 279 Y N 0.416 120.656 120.300 -0.101 0.000 2.638 279 Y HA 0.802 5.353 4.550 0.001 0.000 0.335 279 Y C -0.416 175.462 175.900 -0.036 0.000 1.155 279 Y CA -1.014 57.045 58.100 -0.067 0.000 1.046 279 Y CB 1.587 40.001 38.460 -0.077 0.000 1.303 279 Y HN 0.629 nan 8.280 nan 0.000 0.460 280 T N 0.645 115.218 114.554 0.032 0.000 2.908 280 T HA 0.775 5.126 4.350 0.001 0.000 0.290 280 T C -1.041 173.599 174.700 -0.100 0.000 1.034 280 T CA -0.878 61.191 62.100 -0.052 0.000 1.010 280 T CB 1.799 70.655 68.868 -0.021 0.000 1.068 280 T HN 0.797 nan 8.240 nan 0.000 0.481 281 L N 1.455 122.551 121.223 -0.211 0.000 2.330 281 L HA 0.792 5.132 4.340 0.001 0.000 0.271 281 L C -0.014 176.729 176.870 -0.212 0.000 1.013 281 L CA -0.973 53.680 54.840 -0.311 0.000 0.816 281 L CB 2.121 43.804 42.059 -0.626 0.000 1.287 281 L HN 0.877 nan 8.230 nan 0.000 0.435 282 S N 2.473 118.044 115.700 -0.213 0.000 2.668 282 S HA 0.524 4.995 4.470 0.001 0.000 0.277 282 S C -1.536 172.973 174.600 -0.153 0.000 1.170 282 S CA -0.536 57.578 58.200 -0.143 0.000 0.994 282 S CB 1.429 64.580 63.200 -0.082 0.000 1.051 282 S HN 0.428 nan 8.310 nan 0.000 0.484 283 L N 6.179 127.328 121.223 -0.124 0.000 2.276 283 L HA 0.603 4.944 4.340 0.001 0.000 0.286 283 L C -1.184 175.688 176.870 0.003 0.000 1.024 283 L CA -0.412 54.395 54.840 -0.054 0.000 0.826 283 L CB 0.895 42.953 42.059 -0.002 0.000 1.211 283 L HN 0.732 nan 8.230 nan 0.000 0.422 284 L N 6.405 127.641 121.223 0.022 0.000 2.282 284 L HA 0.338 4.678 4.340 0.001 0.000 0.287 284 L C -0.708 176.202 176.870 0.067 0.000 1.075 284 L CA -0.432 54.428 54.840 0.032 0.000 0.839 284 L CB 0.899 42.972 42.059 0.025 0.000 1.219 284 L HN 0.477 nan 8.230 nan 0.000 0.434 285 L N 4.580 125.839 121.223 0.060 0.000 2.295 285 L HA 0.519 4.859 4.340 0.001 0.000 0.281 285 L C 0.887 177.805 176.870 0.081 0.000 1.018 285 L CA -0.095 54.797 54.840 0.087 0.000 0.841 285 L CB 1.140 43.224 42.059 0.041 0.000 1.218 285 L HN 0.708 nan 8.230 nan 0.000 0.424 286 A N 3.867 126.760 122.820 0.121 0.000 2.624 286 A HA 0.035 4.355 4.320 0.001 0.000 0.302 286 A C 1.542 179.177 177.584 0.085 0.000 1.504 286 A CA 1.778 53.892 52.037 0.129 0.000 0.804 286 A CB -1.906 17.230 19.000 0.226 0.000 1.020 286 A HN 2.138 nan 8.150 nan 0.000 0.444 287 G N -1.977 106.857 108.800 0.058 0.000 2.659 287 G HA2 -0.183 3.777 3.960 0.001 0.000 0.202 287 G HA3 -0.183 3.777 3.960 0.001 0.000 0.202 287 G C 0.274 175.187 174.900 0.022 0.000 1.186 287 G CA 0.370 45.493 45.100 0.038 0.000 0.783 287 G HN 0.885 nan 8.290 nan 0.000 0.521 288 K N 1.728 122.136 120.400 0.014 0.000 2.298 288 K HA 0.382 4.702 4.320 0.001 0.000 0.280 288 K C -0.669 175.932 176.600 0.001 0.000 1.032 288 K CA -0.371 55.915 56.287 -0.002 0.000 0.958 288 K CB 0.324 32.811 32.500 -0.023 0.000 0.978 288 K HN 0.316 nan 8.250 nan 0.000 0.472 289 N N 4.357 123.055 118.700 -0.003 0.000 2.437 289 N HA 0.285 5.026 4.740 0.001 0.000 0.259 289 N C -0.730 174.774 175.510 -0.010 0.000 0.983 289 N CA -0.337 52.710 53.050 -0.005 0.000 0.937 289 N CB 1.056 39.539 38.487 -0.006 0.000 1.122 289 N HN 0.281 nan 8.380 nan 0.000 0.499 290 L N 0.693 121.909 121.223 -0.011 0.000 2.319 290 L HA 0.567 4.907 4.340 0.001 0.000 0.267 290 L C 0.351 177.209 176.870 -0.020 0.000 1.011 290 L CA -0.658 54.176 54.840 -0.009 0.000 0.818 290 L CB 1.802 43.864 42.059 0.004 0.000 1.316 290 L HN 0.299 nan 8.230 nan 0.000 0.432 291 T N 1.173 115.721 114.554 -0.009 0.000 3.155 291 T HA 0.358 4.709 4.350 0.001 0.000 0.384 291 T C -2.502 172.207 174.700 0.015 0.000 1.351 291 T CA -1.110 60.980 62.100 -0.016 0.000 1.198 291 T CB 0.639 69.502 68.868 -0.009 0.000 1.106 291 T HN 0.233 nan 8.240 nan 0.000 0.564 292 P HA 0.258 nan 4.420 nan 0.000 0.268 292 P C 0.050 177.468 177.300 0.198 0.000 1.204 292 P CA -0.206 62.965 63.100 0.118 0.000 0.768 292 P CB 0.418 32.131 31.700 0.021 0.000 0.842 293 T N -0.568 114.091 114.554 0.175 0.000 2.940 293 T HA 0.327 4.677 4.350 0.001 0.000 0.288 293 T C 0.176 174.856 174.700 -0.032 0.000 1.033 293 T CA -1.062 61.080 62.100 0.069 0.000 1.033 293 T CB 0.689 69.543 68.868 -0.023 0.000 1.079 293 T HN 0.134 nan 8.240 nan 0.000 0.496 294 N N 0.758 119.140 118.700 -0.530 0.000 2.374 294 N HA 0.214 4.955 4.740 0.001 0.000 0.269 294 N C 1.581 176.981 175.510 -0.183 0.000 1.310 294 N CA 1.736 54.414 53.050 -0.620 0.000 0.877 294 N CB -0.220 37.725 38.487 -0.905 0.000 1.096 294 N HN 1.190 nan 8.380 nan 0.000 0.484 295 G N 2.403 111.190 108.800 -0.022 0.000 2.184 295 G HA2 -0.316 3.644 3.960 0.001 0.000 0.264 295 G HA3 -0.316 3.644 3.960 0.001 0.000 0.264 295 G C 0.175 175.090 174.900 0.026 0.000 0.975 295 G CA 0.628 45.735 45.100 0.012 0.000 0.642 295 G HN 0.715 nan 8.290 nan 0.000 0.536 296 Q N 1.044 120.870 119.800 0.043 0.000 2.349 296 Q HA 0.723 5.064 4.340 0.001 0.000 0.254 296 Q C 0.463 176.502 176.000 0.064 0.000 0.980 296 Q CA 0.439 56.265 55.803 0.040 0.000 0.924 296 Q CB 0.771 29.525 28.738 0.027 0.000 1.209 296 Q HN 1.087 nan 8.270 nan 0.000 0.445 297 A N 5.010 127.851 122.820 0.034 0.000 2.520 297 A HA 0.324 4.644 4.320 0.001 0.000 0.245 297 A C -0.654 176.943 177.584 0.021 0.000 1.072 297 A CA -0.172 51.878 52.037 0.022 0.000 0.761 297 A CB 0.067 19.065 19.000 -0.002 0.000 1.004 297 A HN 0.836 nan 8.150 nan 0.000 0.499 298 L N 3.312 124.548 121.223 0.021 0.000 2.289 298 L HA 0.306 4.646 4.340 0.001 0.000 0.285 298 L C 0.134 176.983 176.870 -0.035 0.000 1.049 298 L CA -0.392 54.452 54.840 0.007 0.000 0.804 298 L CB 0.983 43.060 42.059 0.031 0.000 1.195 298 L HN 0.659 nan 8.230 nan 0.000 0.428 299 N N 4.851 123.527 118.700 -0.040 0.000 2.476 299 N HA 0.432 5.172 4.740 0.001 0.000 0.257 299 N C -1.047 174.418 175.510 -0.076 0.000 0.970 299 N CA -0.437 52.578 53.050 -0.059 0.000 0.938 299 N CB 2.113 40.573 38.487 -0.045 0.000 1.144 299 N HN 0.328 nan 8.380 nan 0.000 0.500 300 I N 1.844 122.344 120.570 -0.116 0.000 2.378 300 I HA 0.255 4.425 4.170 0.001 0.000 0.291 300 I C 0.274 176.295 176.117 -0.160 0.000 0.992 300 I CA -0.725 60.487 61.300 -0.146 0.000 1.154 300 I CB 1.120 38.986 38.000 -0.223 0.000 1.315 300 I HN 0.204 nan 8.210 nan 0.000 0.448 301 N N 3.091 121.720 118.700 -0.118 0.000 2.497 301 N HA 0.130 4.870 4.740 0.001 0.000 0.268 301 N C 1.354 176.786 175.510 -0.132 0.000 1.171 301 N CA 0.163 53.152 53.050 -0.101 0.000 0.948 301 N CB 1.050 39.502 38.487 -0.058 0.000 1.069 301 N HN 0.693 nan 8.380 nan 0.000 0.460 302 T N -0.843 113.635 114.554 -0.126 0.000 3.067 302 T HA 0.088 4.438 4.350 0.001 0.000 0.257 302 T C 1.765 176.491 174.700 0.043 0.000 1.105 302 T CA 0.374 62.414 62.100 -0.101 0.000 1.104 302 T CB -0.124 68.712 68.868 -0.054 0.000 0.925 302 T HN 0.400 nan 8.240 nan 0.000 0.498 303 A N 2.617 125.453 122.820 0.027 0.000 1.940 303 A HA -0.159 4.161 4.320 0.001 0.000 0.221 303 A C 2.626 180.235 177.584 0.042 0.000 1.190 303 A CA 2.483 54.543 52.037 0.040 0.000 0.647 303 A CB -1.146 17.864 19.000 0.018 0.000 0.821 303 A HN 0.795 nan 8.150 nan 0.000 0.457 304 S N -1.295 114.420 115.700 0.025 0.000 2.524 304 S HA 0.349 4.820 4.470 0.001 0.000 0.216 304 S C 0.512 175.140 174.600 0.047 0.000 0.987 304 S CA -0.352 57.863 58.200 0.026 0.000 0.909 304 S CB -0.413 62.790 63.200 0.006 0.000 0.781 304 S HN 0.364 nan 8.310 nan 0.000 0.521 305 L N 2.357 123.626 121.223 0.076 0.000 2.380 305 L HA 0.339 4.679 4.340 0.001 0.000 0.273 305 L C 0.749 177.742 176.870 0.205 0.000 1.138 305 L CA -0.227 54.694 54.840 0.135 0.000 0.832 305 L CB 0.515 42.641 42.059 0.111 0.000 1.124 305 L HN 0.245 nan 8.230 nan 0.000 0.454 306 E N 1.291 121.586 120.200 0.158 0.000 2.392 306 E HA 0.211 4.562 4.350 0.001 0.000 0.259 306 E C -0.160 176.510 176.600 0.117 0.000 1.108 306 E CA -0.038 56.424 56.400 0.102 0.000 0.916 306 E CB 1.395 31.138 29.700 0.071 0.000 0.989 306 E HN 0.699 nan 8.360 nan 0.000 0.432 307 T N -0.389 114.140 114.554 -0.041 0.000 2.807 307 T HA 0.507 4.857 4.350 0.001 0.000 0.277 307 T C -0.416 174.176 174.700 -0.181 0.000 1.006 307 T CA -0.894 61.096 62.100 -0.183 0.000 1.006 307 T CB 1.607 70.213 68.868 -0.436 0.000 1.274 307 T HN 0.518 nan 8.240 nan 0.000 0.569 308 N N -1.275 117.264 118.700 -0.267 0.000 2.446 308 N HA 0.315 5.055 4.740 0.001 0.000 0.272 308 N C -1.867 173.483 175.510 -0.266 0.000 1.127 308 N CA -0.791 52.155 53.050 -0.173 0.000 0.896 308 N CB 1.748 40.203 38.487 -0.053 0.000 1.658 308 N HN 0.647 nan 8.380 nan 0.000 0.483 309 W N 1.658 122.881 121.300 -0.129 0.000 2.272 309 W HA 0.442 5.102 4.660 0.001 0.000 0.318 309 W C 0.298 176.703 176.519 -0.190 0.000 1.255 309 W CA -0.275 56.965 57.345 -0.176 0.000 1.200 309 W CB 0.753 30.136 29.460 -0.130 0.000 1.170 309 W HN 0.280 nan 8.180 nan 0.000 0.549 310 N N 1.194 119.872 118.700 -0.037 0.000 2.396 310 N HA 0.226 4.966 4.740 0.001 0.000 0.275 310 N C -1.347 173.936 175.510 -0.378 0.000 1.218 310 N CA -1.092 51.807 53.050 -0.251 0.000 0.812 310 N CB 1.986 40.158 38.487 -0.524 0.000 1.592 310 N HN 0.307 nan 8.380 nan 0.000 0.480 311 R N 1.931 122.208 120.500 -0.371 0.000 2.870 311 R HA 0.416 4.756 4.340 0.001 0.000 0.254 311 R C -0.682 175.318 176.300 -0.499 0.000 1.392 311 R CA -0.035 55.886 56.100 -0.299 0.000 1.322 311 R CB -0.903 29.334 30.300 -0.104 0.000 1.205 311 R HN 0.473 nan 8.270 nan 0.000 0.597 312 I N 4.013 124.154 120.570 -0.715 0.000 2.325 312 I HA 0.174 4.344 4.170 0.001 0.000 0.291 312 I C 0.774 176.690 176.117 -0.335 0.000 1.019 312 I CA -0.550 60.261 61.300 -0.814 0.000 1.302 312 I CB 1.442 38.801 38.000 -1.068 0.000 1.401 312 I HN 0.588 nan 8.210 nan 0.000 0.485 313 T N 3.070 117.560 114.554 -0.106 0.000 2.847 313 T HA 0.618 4.968 4.350 0.001 0.000 0.279 313 T C 0.345 175.067 174.700 0.036 0.000 0.984 313 T CA -0.909 61.187 62.100 -0.007 0.000 0.988 313 T CB 1.404 70.307 68.868 0.058 0.000 1.040 313 T HN 0.609 nan 8.240 nan 0.000 0.528 314 A N 1.057 123.915 122.820 0.063 0.000 2.462 314 A HA 0.428 4.749 4.320 0.001 0.000 0.243 314 A C 1.485 179.131 177.584 0.104 0.000 1.076 314 A CA -0.622 51.471 52.037 0.093 0.000 0.773 314 A CB -0.183 18.869 19.000 0.087 0.000 1.010 314 A HN 0.827 nan 8.150 nan 0.000 0.493 315 V N 2.112 122.098 119.914 0.119 0.000 2.229 315 V HA -0.161 3.960 4.120 0.001 0.000 0.243 315 V C 2.205 178.352 176.094 0.087 0.000 1.042 315 V CA 2.811 65.179 62.300 0.113 0.000 1.000 315 V CB -1.168 30.726 31.823 0.119 0.000 0.637 315 V HN 1.140 nan 8.190 nan 0.000 0.446 316 T N -3.762 110.838 114.554 0.078 0.000 2.995 316 T HA 0.420 4.770 4.350 0.001 0.000 0.170 316 T C 0.159 174.895 174.700 0.059 0.000 0.844 316 T CA -0.272 61.864 62.100 0.061 0.000 1.137 316 T CB 0.657 69.556 68.868 0.051 0.000 2.193 316 T HN 0.117 nan 8.240 nan 0.000 0.384 317 M N 2.124 121.757 119.600 0.054 0.000 2.591 317 M HA 0.629 5.109 4.480 0.001 0.000 0.306 317 M C -2.717 173.617 176.300 0.057 0.000 1.190 317 M CA -2.246 53.085 55.300 0.052 0.000 0.889 317 M CB 2.812 35.436 32.600 0.040 0.000 1.728 317 M HN 0.300 nan 8.290 nan 0.000 0.458 318 P HA 0.273 nan 4.420 nan 0.000 0.284 318 P C -1.542 175.802 177.300 0.074 0.000 1.287 318 P CA -0.739 62.398 63.100 0.060 0.000 0.824 318 P CB 0.298 32.032 31.700 0.058 0.000 1.180 319 E N 0.243 120.481 120.200 0.064 0.000 2.418 319 E HA 0.194 4.544 4.350 0.001 0.000 0.261 319 E C -0.710 175.944 176.600 0.089 0.000 1.070 319 E CA -0.146 56.294 56.400 0.067 0.000 0.931 319 E CB 0.149 29.879 29.700 0.050 0.000 0.954 319 E HN 0.284 nan 8.360 nan 0.000 0.439 320 I N 2.762 123.385 120.570 0.089 0.000 2.420 320 I HA 0.057 4.227 4.170 0.001 0.000 0.282 320 I C -0.037 176.129 176.117 0.082 0.000 1.019 320 I CA -0.483 60.886 61.300 0.115 0.000 1.130 320 I CB 1.694 39.751 38.000 0.096 0.000 1.262 320 I HN 0.522 nan 8.210 nan 0.000 0.454 321 S N 3.988 119.745 115.700 0.094 0.000 2.597 321 S HA 0.294 4.764 4.470 0.001 0.000 0.224 321 S C 0.110 174.750 174.600 0.066 0.000 0.955 321 S CA -0.105 58.133 58.200 0.063 0.000 0.933 321 S CB 0.257 63.485 63.200 0.048 0.000 0.788 321 S HN 0.396 nan 8.310 nan 0.000 0.488 322 V N 2.205 122.181 119.914 0.104 0.000 3.077 322 V HA 0.366 4.487 4.120 0.001 0.000 0.299 322 V C -2.672 173.485 176.094 0.104 0.000 1.276 322 V CA -2.116 60.252 62.300 0.113 0.000 0.993 322 V CB 2.438 34.375 31.823 0.190 0.000 1.076 322 V HN -0.027 nan 8.190 nan 0.000 0.434 323 P HA 0.213 nan 4.420 nan 0.000 0.267 323 P C -0.818 176.522 177.300 0.067 0.000 1.201 323 P CA 0.371 63.467 63.100 -0.007 0.000 0.775 323 P CB 0.421 32.105 31.700 -0.027 0.000 0.854 324 V N -0.602 119.239 119.914 -0.122 0.000 3.164 324 V HA 0.560 4.680 4.120 0.001 0.000 0.313 324 V C -0.510 175.347 176.094 -0.395 0.000 1.188 324 V CA -1.200 60.862 62.300 -0.396 0.000 1.058 324 V CB 1.422 32.845 31.823 -0.667 0.000 1.110 324 V HN 0.200 nan 8.190 nan 0.000 0.453 325 L N 1.694 122.543 121.223 -0.623 0.000 2.307 325 L HA 0.773 5.114 4.340 0.001 0.000 0.282 325 L C -0.096 176.506 176.870 -0.446 0.000 1.051 325 L CA -0.260 54.170 54.840 -0.684 0.000 0.804 325 L CB 1.379 42.920 42.059 -0.864 0.000 1.197 325 L HN 1.127 nan 8.230 nan 0.000 0.431 326 c N -0.433 117.914 118.600 -0.422 0.000 3.285 326 c HA 0.572 5.142 4.570 0.001 0.000 0.320 326 c C -1.115 172.791 174.090 -0.307 0.000 1.411 326 c CA -1.209 54.950 56.329 -0.283 0.000 1.429 326 c CB 1.775 44.248 42.510 -0.061 0.000 1.812 326 c HN 0.744 nan 8.230 nan 0.000 0.454 327 W N 1.856 123.213 121.300 0.095 0.000 2.316 327 W HA 0.435 5.096 4.660 0.001 0.000 0.308 327 W C -2.614 173.996 176.519 0.151 0.000 1.106 327 W CA -1.964 55.441 57.345 0.101 0.000 1.262 327 W CB 1.098 30.627 29.460 0.115 0.000 1.233 327 W HN 0.469 nan 8.180 nan 0.000 0.447 328 P HA 0.364 nan 4.420 nan 0.000 0.286 328 P C 0.090 177.529 177.300 0.232 0.000 1.269 328 P CA 0.112 63.341 63.100 0.215 0.000 0.787 328 P CB 1.663 33.446 31.700 0.139 0.000 0.920 329 G N 2.075 111.002 108.800 0.211 0.000 2.642 329 G HA2 0.677 4.638 3.960 0.001 0.000 0.293 329 G HA3 0.677 4.638 3.960 0.001 0.000 0.293 329 G C -1.587 173.393 174.900 0.133 0.000 1.341 329 G CA -0.844 44.383 45.100 0.212 0.000 0.916 329 G HN 0.437 nan 8.290 nan 0.000 0.474 330 R N 0.572 121.137 120.500 0.108 0.000 2.476 330 R HA 0.479 4.819 4.340 0.001 0.000 0.305 330 R C -1.487 174.839 176.300 0.045 0.000 0.965 330 R CA -0.780 55.357 56.100 0.063 0.000 0.867 330 R CB 1.578 31.903 30.300 0.040 0.000 1.176 330 R HN 0.387 nan 8.270 nan 0.000 0.447 331 L N 3.989 125.229 121.223 0.028 0.000 2.255 331 L HA 0.323 4.664 4.340 0.001 0.000 0.289 331 L C -0.575 176.258 176.870 -0.061 0.000 1.046 331 L CA 0.235 55.051 54.840 -0.040 0.000 0.816 331 L CB 1.369 43.405 42.059 -0.038 0.000 1.197 331 L HN 0.617 nan 8.230 nan 0.000 0.427 332 Q N 4.980 124.731 119.800 -0.081 0.000 2.271 332 Q HA 0.491 4.832 4.340 0.001 0.000 0.258 332 Q C -1.590 174.357 176.000 -0.089 0.000 0.936 332 Q CA -0.706 55.057 55.803 -0.066 0.000 0.909 332 Q CB 1.151 29.860 28.738 -0.048 0.000 1.253 332 Q HN 0.638 nan 8.270 nan 0.000 0.440 333 L N 3.611 124.790 121.223 -0.072 0.000 2.307 333 L HA 0.528 4.868 4.340 0.001 0.000 0.284 333 L C -0.855 175.998 176.870 -0.028 0.000 1.023 333 L CA -0.517 54.291 54.840 -0.053 0.000 0.810 333 L CB 1.502 43.497 42.059 -0.107 0.000 1.231 333 L HN 0.744 nan 8.230 nan 0.000 0.423 334 D N 1.843 122.252 120.400 0.014 0.000 2.575 334 D HA 0.770 5.410 4.640 0.001 0.000 0.236 334 D C -0.757 175.575 176.300 0.054 0.000 1.075 334 D CA -0.227 53.781 54.000 0.014 0.000 0.860 334 D CB 2.637 43.438 40.800 0.002 0.000 1.475 334 D HN 0.706 nan 8.370 nan 0.000 0.474 335 A N 1.704 124.544 122.820 0.034 0.000 2.459 335 A HA 0.660 4.981 4.320 0.001 0.000 0.296 335 A C -1.261 176.344 177.584 0.034 0.000 1.039 335 A CA -0.785 51.281 52.037 0.048 0.000 0.698 335 A CB 1.428 20.449 19.000 0.035 0.000 1.261 335 A HN 0.418 nan 8.150 nan 0.000 0.405 336 K N 2.206 122.628 120.400 0.036 0.000 2.664 336 K HA 0.565 4.885 4.320 0.001 0.000 0.234 336 K C -1.070 175.558 176.600 0.047 0.000 0.980 336 K CA -0.404 55.907 56.287 0.040 0.000 0.996 336 K CB 1.220 33.736 32.500 0.026 0.000 1.190 336 K HN 0.947 nan 8.250 nan 0.000 0.479 337 V N -0.066 119.889 119.914 0.068 0.000 2.919 337 V HA 0.647 4.768 4.120 0.001 0.000 0.316 337 V C -0.884 175.273 176.094 0.105 0.000 1.077 337 V CA -1.022 61.314 62.300 0.061 0.000 0.977 337 V CB 1.768 33.595 31.823 0.007 0.000 1.039 337 V HN 0.629 nan 8.190 nan 0.000 0.441 338 K N 2.333 122.784 120.400 0.084 0.000 2.358 338 K HA 0.465 4.786 4.320 0.001 0.000 0.260 338 K C -0.071 176.588 176.600 0.098 0.000 0.956 338 K CA -0.473 55.877 56.287 0.105 0.000 0.834 338 K CB 0.630 33.175 32.500 0.076 0.000 1.102 338 K HN 0.884 nan 8.250 nan 0.000 0.431 339 N N 2.931 121.717 118.700 0.143 0.000 2.705 339 N HA -0.127 4.613 4.740 0.001 0.000 0.255 339 N C -2.485 173.049 175.510 0.039 0.000 1.008 339 N CA 0.533 53.650 53.050 0.111 0.000 0.742 339 N CB -0.982 37.565 38.487 0.100 0.000 0.906 339 N HN 0.551 nan 8.380 nan 0.000 0.541 340 P HA 0.147 nan 4.420 nan 0.000 0.277 340 P C 0.401 177.687 177.300 -0.022 0.000 1.240 340 P CA 0.014 63.079 63.100 -0.058 0.000 0.798 340 P CB 1.042 32.609 31.700 -0.222 0.000 0.979 341 E N 0.233 120.478 120.200 0.075 0.000 2.418 341 E HA 0.262 4.613 4.350 0.001 0.000 0.261 341 E C 0.304 176.940 176.600 0.061 0.000 1.070 341 E CA -0.194 56.234 56.400 0.048 0.000 0.931 341 E CB 0.537 30.256 29.700 0.032 0.000 0.954 341 E HN 0.516 nan 8.360 nan 0.000 0.439 342 A N 1.379 124.202 122.820 0.005 0.000 2.386 342 A HA 0.580 4.900 4.320 0.001 0.000 0.248 342 A C 0.562 178.144 177.584 -0.004 0.000 1.082 342 A CA 0.625 52.664 52.037 0.004 0.000 0.789 342 A CB 0.458 19.457 19.000 -0.002 0.000 1.025 342 A HN 0.717 nan 8.150 nan 0.000 0.490 343 G N 0.001 108.808 108.800 0.011 0.000 2.343 343 G HA2 0.294 4.254 3.960 0.001 0.000 0.465 343 G HA3 0.294 4.254 3.960 0.001 0.000 0.465 343 G C -1.417 173.464 174.900 -0.033 0.000 1.282 343 G CA -0.866 44.201 45.100 -0.055 0.000 0.996 343 G HN 0.864 nan 8.290 nan 0.000 0.521 344 Q N -0.428 119.307 119.800 -0.109 0.000 2.261 344 Q HA 0.654 4.994 4.340 0.001 0.000 0.252 344 Q C -1.095 174.796 176.000 -0.183 0.000 0.915 344 Q CA -0.033 55.740 55.803 -0.049 0.000 0.915 344 Q CB 1.339 30.051 28.738 -0.043 0.000 1.204 344 Q HN 0.507 nan 8.270 nan 0.000 0.421 345 Y N 0.797 121.080 120.300 -0.028 0.000 2.524 345 Y HA 0.649 5.199 4.550 0.001 0.000 0.344 345 Y C 0.079 175.969 175.900 -0.016 0.000 1.012 345 Y CA -0.811 57.280 58.100 -0.015 0.000 1.068 345 Y CB 2.258 40.710 38.460 -0.013 0.000 1.249 345 Y HN 0.566 nan 8.280 nan 0.000 0.468 346 M N 1.164 120.855 119.600 0.152 0.000 2.520 346 M HA 0.796 5.277 4.480 0.001 0.000 0.280 346 M C -1.240 175.126 176.300 0.109 0.000 1.232 346 M CA -0.212 55.139 55.300 0.085 0.000 0.892 346 M CB 2.533 35.156 32.600 0.039 0.000 1.728 346 M HN 0.802 nan 8.290 nan 0.000 0.475 347 G N 1.501 110.354 108.800 0.090 0.000 2.645 347 G HA2 0.418 4.378 3.960 0.001 0.000 0.292 347 G HA3 0.418 4.378 3.960 0.001 0.000 0.292 347 G C -2.339 172.625 174.900 0.107 0.000 1.415 347 G CA -0.641 44.542 45.100 0.139 0.000 0.785 347 G HN 0.754 nan 8.290 nan 0.000 0.483 348 N N -0.526 118.261 118.700 0.145 0.000 2.225 348 N HA 0.510 5.251 4.740 0.001 0.000 0.298 348 N C -1.364 174.252 175.510 0.176 0.000 1.076 348 N CA -0.507 52.613 53.050 0.117 0.000 0.792 348 N CB 2.273 40.812 38.487 0.087 0.000 1.498 348 N HN 0.354 nan 8.380 nan 0.000 0.474 349 I N 2.221 122.881 120.570 0.149 0.000 2.362 349 I HA 0.250 4.420 4.170 0.001 0.000 0.289 349 I C 0.151 176.366 176.117 0.165 0.000 0.994 349 I CA -0.679 60.741 61.300 0.200 0.000 1.158 349 I CB 1.731 39.841 38.000 0.183 0.000 1.315 349 I HN 0.296 nan 8.210 nan 0.000 0.451 350 K N 7.567 128.073 120.400 0.176 0.000 2.234 350 K HA 0.571 4.892 4.320 0.001 0.000 0.277 350 K C -0.976 175.694 176.600 0.115 0.000 1.038 350 K CA -0.444 55.917 56.287 0.124 0.000 0.888 350 K CB 0.882 33.442 32.500 0.100 0.000 1.091 350 K HN 0.545 nan 8.250 nan 0.000 0.467 351 I N 4.363 124.976 120.570 0.072 0.000 2.339 351 I HA 0.182 4.353 4.170 0.001 0.000 0.290 351 I C 0.097 176.216 176.117 0.004 0.000 0.994 351 I CA -0.645 60.632 61.300 -0.039 0.000 1.191 351 I CB 1.748 39.750 38.000 0.003 0.000 1.343 351 I HN 0.644 nan 8.210 nan 0.000 0.458 352 T N 3.261 117.793 114.554 -0.036 0.000 2.888 352 T HA 0.696 5.047 4.350 0.001 0.000 0.284 352 T C -0.797 173.974 174.700 0.119 0.000 1.017 352 T CA -0.788 61.342 62.100 0.049 0.000 1.022 352 T CB 2.178 71.059 68.868 0.022 0.000 1.013 352 T HN 0.440 nan 8.240 nan 0.000 0.465 353 F N 0.663 120.613 119.950 -0.000 0.000 2.588 353 F HA 0.572 5.099 4.527 0.001 0.000 0.314 353 F C -1.467 174.341 175.800 0.013 0.000 1.134 353 F CA -0.514 57.494 58.000 0.013 0.000 0.961 353 F CB 2.037 41.145 39.000 0.181 0.000 1.239 353 F HN 0.698 nan 8.300 nan 0.000 0.448 354 T N 6.636 120.916 114.554 -0.457 0.000 2.965 354 T HA 0.361 4.712 4.350 0.001 0.000 0.306 354 T C -2.903 171.433 174.700 -0.606 0.000 0.991 354 T CA -1.257 60.507 62.100 -0.560 0.000 1.001 354 T CB 1.752 70.478 68.868 -0.236 0.000 0.984 354 T HN 0.270 nan 8.240 nan 0.000 0.446 355 P HA 0.263 nan 4.420 nan 0.000 0.278 355 P C -0.191 177.015 177.300 -0.158 0.000 1.238 355 P CA -0.601 62.321 63.100 -0.297 0.000 0.794 355 P CB 0.491 32.093 31.700 -0.164 0.000 0.955 356 S N 0.629 116.290 115.700 -0.065 0.000 2.488 356 S HA 0.256 4.727 4.470 0.001 0.000 0.278 356 S C 0.194 174.770 174.600 -0.040 0.000 1.259 356 S CA -0.283 57.886 58.200 -0.052 0.000 1.061 356 S CB -0.388 62.797 63.200 -0.025 0.000 0.910 356 S HN 0.337 nan 8.310 nan 0.000 0.491 357 S N 3.397 119.053 115.700 -0.073 0.000 2.399 357 S HA 0.199 4.670 4.470 0.001 0.000 0.215 357 S C 0.956 175.519 174.600 -0.061 0.000 1.456 357 S CA -0.718 57.429 58.200 -0.088 0.000 1.199 357 S CB 0.599 63.710 63.200 -0.149 0.000 1.063 357 S HN 0.807 nan 8.310 nan 0.000 0.476 358 Q N 2.113 121.895 119.800 -0.030 0.000 2.133 358 Q HA -0.156 4.184 4.340 0.001 0.000 0.208 358 Q C 1.960 177.945 176.000 -0.025 0.000 0.991 358 Q CA 2.529 58.320 55.803 -0.020 0.000 0.867 358 Q CB -0.744 27.994 28.738 0.000 0.000 0.911 358 Q HN 0.854 nan 8.270 nan 0.000 0.417 359 T N -0.635 113.902 114.554 -0.028 0.000 2.685 359 T HA -0.173 4.178 4.350 0.001 0.000 0.268 359 T C 0.495 175.176 174.700 -0.032 0.000 1.034 359 T CA 1.473 63.558 62.100 -0.026 0.000 1.149 359 T CB -0.025 68.829 68.868 -0.024 0.000 0.860 359 T HN 0.130 nan 8.240 nan 0.000 0.449 360 L N 0.934 122.127 121.223 -0.049 0.000 3.111 360 L HA 0.305 4.646 4.340 0.001 0.000 0.259 360 L C -1.175 175.661 176.870 -0.057 0.000 0.946 360 L CA -0.114 54.699 54.840 -0.045 0.000 1.119 360 L CB 0.740 42.777 42.059 -0.037 0.000 1.698 360 L HN 0.340 nan 8.230 nan 0.000 0.540 361 D N 2.542 122.911 120.400 -0.051 0.000 2.982 361 D HA -0.266 4.375 4.640 0.001 0.000 0.207 361 D C -0.164 176.095 176.300 -0.069 0.000 1.258 361 D CA 0.979 54.946 54.000 -0.054 0.000 0.758 361 D CB -0.063 40.712 40.800 -0.042 0.000 0.886 361 D HN 0.531 nan 8.370 nan 0.000 0.389 362 N N 2.197 120.845 118.700 -0.086 0.000 2.415 362 N HA 0.168 4.909 4.740 0.001 0.000 0.246 362 N C -0.201 175.240 175.510 -0.115 0.000 1.078 362 N CA -0.276 52.708 53.050 -0.110 0.000 0.942 362 N CB 0.586 38.990 38.487 -0.138 0.000 1.140 362 N HN 0.292 nan 8.380 nan 0.000 0.501 363 K N 0.963 121.305 120.400 -0.097 0.000 2.229 363 K HA -0.049 4.271 4.320 0.001 0.000 0.250 363 K C 0.377 176.910 176.600 -0.111 0.000 1.016 363 K CA 0.190 56.426 56.287 -0.085 0.000 0.866 363 K CB 0.458 32.925 32.500 -0.056 0.000 1.028 363 K HN 0.481 nan 8.250 nan 0.000 0.514 364 Q N 1.255 121.010 119.800 -0.076 0.000 2.257 364 Q HA 0.328 4.669 4.340 0.001 0.000 0.255 364 Q C -0.987 174.999 176.000 -0.023 0.000 0.920 364 Q CA -0.768 54.994 55.803 -0.069 0.000 0.927 364 Q CB 1.376 30.091 28.738 -0.039 0.000 1.229 364 Q HN 0.451 nan 8.270 nan 0.000 0.433 365 V N 0.497 120.415 119.914 0.006 0.000 2.994 365 V HA 0.765 4.886 4.120 0.001 0.000 0.318 365 V C -0.795 175.372 176.094 0.122 0.000 1.085 365 V CA -0.708 61.640 62.300 0.080 0.000 0.998 365 V CB 1.741 33.643 31.823 0.131 0.000 1.063 365 V HN 0.972 nan 8.190 nan 0.000 0.447 366 E N 0.963 121.232 120.200 0.115 0.000 2.446 366 E HA 0.829 5.180 4.350 0.001 0.000 0.276 366 E C -1.558 175.101 176.600 0.098 0.000 0.969 366 E CA -1.292 55.171 56.400 0.105 0.000 0.800 366 E CB 2.646 32.388 29.700 0.071 0.000 1.341 366 E HN 0.549 nan 8.360 nan 0.000 0.460 367 K N 0.466 120.914 120.400 0.081 0.000 2.525 367 K HA 0.424 4.744 4.320 0.001 0.000 0.254 367 K C -1.963 174.665 176.600 0.046 0.000 0.934 367 K CA -0.475 55.846 56.287 0.057 0.000 0.802 367 K CB 1.986 34.516 32.500 0.049 0.000 1.295 367 K HN 0.636 nan 8.250 nan 0.000 0.433 368 N N 2.461 121.174 118.700 0.022 0.000 2.405 368 N HA 0.601 5.341 4.740 0.001 0.000 0.299 368 N C -0.927 174.566 175.510 -0.028 0.000 1.075 368 N CA -0.618 52.442 53.050 0.017 0.000 0.884 368 N CB 1.443 39.938 38.487 0.014 0.000 1.194 368 N HN 0.312 nan 8.380 nan 0.000 0.491 369 I N 1.170 121.730 120.570 -0.018 0.000 2.447 369 I HA 0.226 4.397 4.170 0.001 0.000 0.287 369 I C -0.419 175.658 176.117 -0.066 0.000 1.023 369 I CA -0.652 60.599 61.300 -0.081 0.000 1.083 369 I CB 1.885 39.853 38.000 -0.054 0.000 1.245 369 I HN 0.390 nan 8.210 nan 0.000 0.434 370 T N 5.760 120.246 114.554 -0.113 0.000 2.814 370 T HA 0.325 4.675 4.350 0.001 0.000 0.297 370 T C 0.037 174.680 174.700 -0.096 0.000 0.956 370 T CA -0.220 61.833 62.100 -0.079 0.000 1.123 370 T CB 1.011 69.826 68.868 -0.088 0.000 0.902 370 T HN 0.208 nan 8.240 nan 0.000 0.528 371 V N 4.710 124.580 119.914 -0.073 0.000 2.459 371 V HA 0.644 4.765 4.120 0.001 0.000 0.295 371 V C 0.564 176.600 176.094 -0.097 0.000 1.029 371 V CA -0.891 61.330 62.300 -0.132 0.000 0.874 371 V CB 1.625 33.305 31.823 -0.237 0.000 0.985 371 V HN 1.097 nan 8.190 nan 0.000 0.438 372 T N 1.354 115.851 114.554 -0.094 0.000 2.926 372 T HA 0.979 5.329 4.350 0.001 0.000 0.289 372 T C -0.443 174.226 174.700 -0.051 0.000 1.054 372 T CA -0.485 61.591 62.100 -0.039 0.000 1.015 372 T CB 2.358 71.215 68.868 -0.018 0.000 1.167 372 T HN 1.369 nan 8.240 nan 0.000 0.526 373 A N 0.205 123.033 122.820 0.013 0.000 2.608 373 A HA 0.794 5.114 4.320 0.001 0.000 0.292 373 A C -0.845 176.792 177.584 0.088 0.000 1.066 373 A CA -0.817 51.221 52.037 0.002 0.000 0.676 373 A CB 1.480 20.432 19.000 -0.080 0.000 1.277 373 A HN 0.938 nan 8.150 nan 0.000 0.413 374 S N -0.240 115.496 115.700 0.060 0.000 2.614 374 S HA 0.609 5.080 4.470 0.001 0.000 0.288 374 S C -1.355 173.274 174.600 0.049 0.000 1.137 374 S CA -0.307 57.945 58.200 0.087 0.000 0.992 374 S CB 1.388 64.621 63.200 0.056 0.000 1.026 374 S HN 1.045 nan 8.310 nan 0.000 0.486 375 V N 4.752 124.693 119.914 0.044 0.000 2.398 375 V HA 0.375 4.496 4.120 0.001 0.000 0.286 375 V C -0.172 175.915 176.094 -0.012 0.000 1.026 375 V CA -0.883 61.344 62.300 -0.121 0.000 0.868 375 V CB 1.657 33.317 31.823 -0.272 0.000 0.982 375 V HN 0.796 nan 8.190 nan 0.000 0.443 376 D N 6.335 126.797 120.400 0.103 0.000 2.390 376 D HA 0.221 4.861 4.640 0.001 0.000 0.249 376 D C -2.393 173.981 176.300 0.124 0.000 1.144 376 D CA -0.929 53.154 54.000 0.138 0.000 0.880 376 D CB 1.608 42.526 40.800 0.196 0.000 1.182 376 D HN 0.297 nan 8.370 nan 0.000 0.451 377 P HA 0.015 nan 4.420 nan 0.000 0.265 377 P C -0.527 176.827 177.300 0.090 0.000 1.193 377 P CA 0.052 63.191 63.100 0.065 0.000 0.765 377 P CB 0.753 32.479 31.700 0.044 0.000 0.823 378 V N 4.772 124.743 119.914 0.095 0.000 3.049 378 V HA 0.569 4.690 4.120 0.001 0.000 0.309 378 V C -0.365 175.779 176.094 0.083 0.000 1.148 378 V CA -0.698 61.661 62.300 0.100 0.000 0.990 378 V CB 2.584 34.498 31.823 0.152 0.000 1.039 378 V HN 0.450 nan 8.190 nan 0.000 0.430 379 I N 2.052 122.663 120.570 0.068 0.000 2.752 379 I HA 0.678 4.849 4.170 0.001 0.000 0.295 379 I C -2.138 174.009 176.117 0.051 0.000 1.219 379 I CA -0.112 61.229 61.300 0.069 0.000 1.030 379 I CB 2.242 40.272 38.000 0.050 0.000 1.259 379 I HN 0.727 nan 8.210 nan 0.000 0.423 380 D N 5.397 125.839 120.400 0.070 0.000 2.596 380 D HA 0.475 5.115 4.640 0.001 0.000 0.234 380 D C -1.882 174.437 176.300 0.032 0.000 1.181 380 D CA -0.305 53.710 54.000 0.025 0.000 0.856 380 D CB 2.883 43.682 40.800 -0.003 0.000 1.498 380 D HN 0.440 nan 8.370 nan 0.000 0.446 381 L N 2.951 124.164 121.223 -0.017 0.000 2.319 381 L HA 0.565 4.906 4.340 0.001 0.000 0.281 381 L C -1.383 175.482 176.870 -0.008 0.000 1.005 381 L CA -0.226 54.614 54.840 0.001 0.000 0.828 381 L CB 0.795 42.810 42.059 -0.073 0.000 1.227 381 L HN 0.388 nan 8.230 nan 0.000 0.415 382 L N 3.135 124.365 121.223 0.012 0.000 2.271 382 L HA 0.542 4.882 4.340 0.001 0.000 0.265 382 L C 0.040 176.943 176.870 0.056 0.000 1.013 382 L CA -1.028 53.791 54.840 -0.035 0.000 0.820 382 L CB 1.778 43.701 42.059 -0.227 0.000 1.352 382 L HN 0.564 nan 8.230 nan 0.000 0.443 383 Q N -0.231 119.596 119.800 0.046 0.000 2.471 383 Q HA 0.176 4.516 4.340 0.001 0.000 0.223 383 Q C 0.848 176.899 176.000 0.085 0.000 1.045 383 Q CA 0.156 56.000 55.803 0.068 0.000 0.956 383 Q CB 0.805 29.577 28.738 0.056 0.000 1.249 383 Q HN 0.774 nan 8.270 nan 0.000 0.549 384 A N 1.251 124.114 122.820 0.073 0.000 2.019 384 A HA -0.210 4.111 4.320 0.001 0.000 0.219 384 A C 1.332 178.961 177.584 0.076 0.000 1.164 384 A CA 1.606 53.688 52.037 0.075 0.000 0.644 384 A CB -0.318 18.703 19.000 0.034 0.000 0.805 384 A HN 0.763 nan 8.150 nan 0.000 0.449 385 D N -0.866 119.569 120.400 0.058 0.000 2.158 385 D HA -0.041 4.600 4.640 0.001 0.000 0.197 385 D C 1.641 177.978 176.300 0.062 0.000 0.995 385 D CA 2.023 56.053 54.000 0.050 0.000 0.846 385 D CB -0.291 40.533 40.800 0.040 0.000 0.941 385 D HN 0.694 nan 8.370 nan 0.000 0.456 386 G N -0.153 108.689 108.800 0.069 0.000 2.179 386 G HA2 -0.236 3.725 3.960 0.001 0.000 0.220 386 G HA3 -0.236 3.725 3.960 0.001 0.000 0.220 386 G C 0.140 175.036 174.900 -0.006 0.000 0.990 386 G CA -0.102 45.031 45.100 0.054 0.000 0.646 386 G HN 0.366 nan 8.290 nan 0.000 0.517 387 N N 0.724 119.428 118.700 0.007 0.000 2.508 387 N HA 0.586 5.327 4.740 0.001 0.000 0.285 387 N C 0.587 176.091 175.510 -0.009 0.000 1.144 387 N CA 0.006 53.057 53.050 0.001 0.000 0.978 387 N CB 1.183 39.681 38.487 0.018 0.000 1.180 387 N HN 0.480 nan 8.380 nan 0.000 0.484 388 A N 1.900 124.711 122.820 -0.014 0.000 2.445 388 A HA 0.188 4.509 4.320 0.001 0.000 0.242 388 A C 0.411 178.003 177.584 0.013 0.000 1.075 388 A CA -0.261 51.767 52.037 -0.015 0.000 0.777 388 A CB 0.105 19.093 19.000 -0.020 0.000 1.013 388 A HN 0.613 nan 8.150 nan 0.000 0.493 389 L N 2.461 123.697 121.223 0.020 0.000 2.456 389 L HA 0.170 4.510 4.340 0.001 0.000 0.272 389 L C -1.656 175.234 176.870 0.033 0.000 1.189 389 L CA -1.324 53.547 54.840 0.053 0.000 0.846 389 L CB 0.132 42.224 42.059 0.054 0.000 1.111 389 L HN 0.537 nan 8.230 nan 0.000 0.475 390 P HA 0.017 nan 4.420 nan 0.000 0.269 390 P C 0.187 177.469 177.300 -0.029 0.000 1.215 390 P CA -0.251 62.844 63.100 -0.008 0.000 0.780 390 P CB 0.658 32.328 31.700 -0.050 0.000 0.898 391 S N -0.141 115.536 115.700 -0.038 0.000 2.535 391 S HA 0.443 4.913 4.470 0.001 0.000 0.214 391 S C 0.548 175.113 174.600 -0.058 0.000 0.980 391 S CA 0.109 58.285 58.200 -0.039 0.000 0.907 391 S CB -0.050 63.132 63.200 -0.029 0.000 0.790 391 S HN 0.625 nan 8.310 nan 0.000 0.510 392 A N 0.562 123.332 122.820 -0.082 0.000 2.488 392 A HA 0.746 5.067 4.320 0.001 0.000 0.298 392 A C -1.096 176.386 177.584 -0.170 0.000 1.044 392 A CA -0.607 51.369 52.037 -0.102 0.000 0.693 392 A CB 1.819 20.778 19.000 -0.067 0.000 1.272 392 A HN 0.316 nan 8.150 nan 0.000 0.402 393 V N 1.530 121.322 119.914 -0.203 0.000 2.876 393 V HA 0.638 4.758 4.120 0.001 0.000 0.312 393 V C -0.351 175.653 176.094 -0.150 0.000 1.085 393 V CA -0.717 61.409 62.300 -0.291 0.000 0.945 393 V CB 2.316 33.777 31.823 -0.603 0.000 1.017 393 V HN 0.915 nan 8.190 nan 0.000 0.428 394 K N 4.022 124.363 120.400 -0.099 0.000 2.535 394 K HA 0.584 4.905 4.320 0.001 0.000 0.253 394 K C -1.324 175.300 176.600 0.039 0.000 0.953 394 K CA -0.594 55.682 56.287 -0.017 0.000 0.863 394 K CB 1.152 33.657 32.500 0.008 0.000 1.111 394 K HN 0.638 nan 8.250 nan 0.000 0.431 395 L N 3.637 124.898 121.223 0.062 0.000 2.410 395 L HA 0.284 4.624 4.340 0.001 0.000 0.273 395 L C 0.552 177.582 176.870 0.266 0.000 1.144 395 L CA -0.502 54.431 54.840 0.154 0.000 0.863 395 L CB 1.081 43.206 42.059 0.111 0.000 1.140 395 L HN 0.702 nan 8.230 nan 0.000 0.463 396 A N 4.047 127.008 122.820 0.235 0.000 2.401 396 A HA 0.273 4.594 4.320 0.001 0.000 0.259 396 A C -0.912 176.827 177.584 0.258 0.000 1.103 396 A CA -0.105 52.058 52.037 0.211 0.000 0.789 396 A CB 0.175 19.246 19.000 0.119 0.000 1.035 396 A HN 0.586 nan 8.150 nan 0.000 0.491 397 Y N 2.189 122.522 120.300 0.054 0.000 2.387 397 Y HA 0.521 5.072 4.550 0.001 0.000 0.336 397 Y C 0.350 176.155 175.900 -0.159 0.000 1.067 397 Y CA -0.549 57.436 58.100 -0.192 0.000 1.114 397 Y CB 1.741 40.056 38.460 -0.242 0.000 1.208 397 Y HN 0.580 nan 8.280 nan 0.000 0.458 398 S N 7.434 122.509 115.700 -1.042 0.000 2.594 398 S HA 0.411 4.881 4.470 0.001 0.000 0.322 398 S C -2.287 171.653 174.600 -1.101 0.000 1.085 398 S CA -1.731 55.999 58.200 -0.782 0.000 1.116 398 S CB 1.104 64.038 63.200 -0.444 0.000 0.979 398 S HN 0.595 nan 8.310 nan 0.000 0.465 399 P HA 0.049 nan 4.420 nan 0.000 0.225 399 P C 1.102 178.268 177.300 -0.222 0.000 1.148 399 P CA 0.740 63.639 63.100 -0.335 0.000 0.779 399 P CB 0.146 31.806 31.700 -0.067 0.000 0.780 400 A N 0.093 122.775 122.820 -0.230 0.000 1.874 400 A HA -0.085 4.236 4.320 0.001 0.000 0.214 400 A C 2.253 179.751 177.584 -0.144 0.000 1.189 400 A CA 1.907 53.857 52.037 -0.144 0.000 0.615 400 A CB -1.197 17.733 19.000 -0.116 0.000 0.830 400 A HN 0.308 nan 8.150 nan 0.000 0.443 401 S N -1.839 113.743 115.700 -0.197 0.000 2.524 401 S HA 0.164 4.635 4.470 0.001 0.000 0.216 401 S C 0.555 175.054 174.600 -0.169 0.000 0.987 401 S CA 0.722 58.829 58.200 -0.155 0.000 0.909 401 S CB -0.061 63.054 63.200 -0.142 0.000 0.781 401 S HN 0.381 nan 8.310 nan 0.000 0.521 402 K N 1.688 121.917 120.400 -0.285 0.000 3.125 402 K HA -0.122 4.198 4.320 0.001 0.000 0.268 402 K C -0.051 176.464 176.600 -0.141 0.000 1.078 402 K CA 1.156 57.329 56.287 -0.191 0.000 0.775 402 K CB -2.657 29.845 32.500 0.002 0.000 1.253 402 K HN 0.823 nan 8.250 nan 0.000 0.486 403 T N -3.418 110.939 114.554 -0.329 0.000 2.901 403 T HA 0.778 5.129 4.350 0.001 0.000 0.293 403 T C -0.324 174.189 174.700 -0.311 0.000 1.084 403 T CA -1.033 60.961 62.100 -0.177 0.000 1.008 403 T CB 1.312 70.142 68.868 -0.064 0.000 1.170 403 T HN 0.024 nan 8.240 nan 0.000 0.509 404 F N 0.793 120.804 119.950 0.101 0.000 2.422 404 F HA 0.526 5.054 4.527 0.001 0.000 0.333 404 F C 0.777 176.610 175.800 0.055 0.000 1.095 404 F CA -0.996 57.070 58.000 0.110 0.000 1.038 404 F CB 1.571 40.632 39.000 0.102 0.000 1.156 404 F HN 0.797 nan 8.300 nan 0.000 0.483 405 E N 1.695 122.028 120.200 0.221 0.000 2.316 405 E HA 0.234 4.585 4.350 0.001 0.000 0.275 405 E C -0.731 175.971 176.600 0.171 0.000 1.029 405 E CA -0.339 56.147 56.400 0.144 0.000 0.871 405 E CB 0.734 30.495 29.700 0.102 0.000 1.022 405 E HN 0.571 nan 8.360 nan 0.000 0.418 406 S N 3.355 119.133 115.700 0.130 0.000 2.564 406 S HA 0.020 4.491 4.470 0.001 0.000 0.278 406 S C -0.803 173.889 174.600 0.152 0.000 1.333 406 S CA -0.429 57.847 58.200 0.128 0.000 1.048 406 S CB 0.223 63.471 63.200 0.080 0.000 0.900 406 S HN 0.523 nan 8.310 nan 0.000 0.505 407 Y N 3.868 124.195 120.300 0.046 0.000 2.365 407 Y HA 0.394 4.944 4.550 0.001 0.000 0.340 407 Y C 0.158 176.081 175.900 0.039 0.000 1.016 407 Y CA -0.498 57.626 58.100 0.040 0.000 1.196 407 Y CB 0.326 38.807 38.460 0.035 0.000 1.167 407 Y HN 0.527 nan 8.280 nan 0.000 0.509 408 R N 5.139 125.328 120.500 -0.519 0.000 2.621 408 R HA 0.761 5.101 4.340 0.001 0.000 0.292 408 R C -1.814 174.125 176.300 -0.602 0.000 0.969 408 R CA -1.256 54.574 56.100 -0.449 0.000 0.887 408 R CB 2.510 32.695 30.300 -0.191 0.000 1.180 408 R HN 0.523 nan 8.270 nan 0.000 0.450 409 V N 4.121 123.766 119.914 -0.448 0.000 2.851 409 V HA 0.359 4.480 4.120 0.001 0.000 0.307 409 V C -1.124 174.900 176.094 -0.118 0.000 1.129 409 V CA -0.914 61.218 62.300 -0.279 0.000 0.932 409 V CB 2.362 34.020 31.823 -0.275 0.000 1.024 409 V HN 0.664 nan 8.190 nan 0.000 0.426 410 M N 5.258 124.814 119.600 -0.074 0.000 2.188 410 M HA 0.403 4.883 4.480 0.001 0.000 0.354 410 M C 0.314 176.622 176.300 0.013 0.000 1.342 410 M CA 0.400 55.672 55.300 -0.047 0.000 1.117 410 M CB 0.396 32.970 32.600 -0.043 0.000 1.670 410 M HN 0.935 nan 8.290 nan 0.000 0.466 411 T N 1.670 116.254 114.554 0.050 0.000 2.926 411 T HA 0.782 5.132 4.350 0.001 0.000 0.289 411 T C -0.589 174.199 174.700 0.146 0.000 1.054 411 T CA -0.937 61.249 62.100 0.144 0.000 1.015 411 T CB 2.359 71.407 68.868 0.299 0.000 1.167 411 T HN 0.616 nan 8.240 nan 0.000 0.526 412 Q N 0.595 120.515 119.800 0.201 0.000 2.289 412 Q HA 0.527 4.868 4.340 0.001 0.000 0.270 412 Q C -1.041 175.141 176.000 0.303 0.000 1.038 412 Q CA -1.038 54.887 55.803 0.204 0.000 0.812 412 Q CB 2.984 31.822 28.738 0.167 0.000 1.300 412 Q HN 0.797 nan 8.270 nan 0.000 0.427 413 V N 2.725 122.799 119.914 0.267 0.000 2.614 413 V HA 0.262 4.383 4.120 0.001 0.000 0.291 413 V C -0.900 175.385 176.094 0.319 0.000 1.049 413 V CA 0.210 62.669 62.300 0.265 0.000 1.038 413 V CB 0.658 32.601 31.823 0.199 0.000 0.980 413 V HN 0.764 nan 8.190 nan 0.000 0.481 414 H N 4.283 123.427 119.070 0.123 0.000 2.587 414 H HA 0.510 5.067 4.556 0.001 0.000 0.325 414 H C -0.324 175.067 175.328 0.105 0.000 1.012 414 H CA -0.273 55.848 56.048 0.121 0.000 1.213 414 H CB 1.883 31.696 29.762 0.085 0.000 1.431 414 H HN 0.873 nan 8.280 nan 0.000 0.492 415 T N 1.411 116.067 114.554 0.171 0.000 2.883 415 T HA 0.065 4.415 4.350 0.001 0.000 0.301 415 T C 0.419 175.140 174.700 0.034 0.000 1.158 415 T CA -0.869 61.292 62.100 0.102 0.000 1.007 415 T CB 0.998 69.918 68.868 0.086 0.000 1.186 415 T HN 0.780 nan 8.240 nan 0.000 0.499 416 N N 1.247 119.968 118.700 0.035 0.000 2.230 416 N HA 0.198 4.939 4.740 0.001 0.000 0.202 416 N C -0.500 174.992 175.510 -0.031 0.000 1.119 416 N CA -0.182 52.872 53.050 0.007 0.000 0.851 416 N CB 0.459 38.968 38.487 0.036 0.000 0.990 416 N HN 0.440 nan 8.380 nan 0.000 0.497 417 D N 0.074 120.445 120.400 -0.049 0.000 2.552 417 D HA 0.370 5.011 4.640 0.001 0.000 0.285 417 D C 0.007 176.232 176.300 -0.126 0.000 1.206 417 D CA -0.470 53.489 54.000 -0.068 0.000 0.826 417 D CB 0.731 41.516 40.800 -0.025 0.000 1.179 417 D HN 0.190 nan 8.370 nan 0.000 0.508 418 A N 1.181 123.845 122.820 -0.260 0.000 2.255 418 A HA 0.010 4.330 4.320 0.001 0.000 0.206 418 A C 1.653 179.071 177.584 -0.276 0.000 1.193 418 A CA 1.027 52.748 52.037 -0.526 0.000 0.794 418 A CB -0.424 17.957 19.000 -1.033 0.000 0.794 418 A HN 0.412 nan 8.150 nan 0.000 0.481 419 T N -2.981 111.502 114.554 -0.119 0.000 3.086 419 T HA 0.200 4.551 4.350 0.001 0.000 0.250 419 T C 0.597 175.308 174.700 0.017 0.000 1.074 419 T CA -0.170 61.909 62.100 -0.035 0.000 0.988 419 T CB 0.145 68.992 68.868 -0.034 0.000 0.988 419 T HN 0.169 nan 8.240 nan 0.000 0.530 420 K N 1.712 122.127 120.400 0.026 0.000 2.118 420 K HA 0.480 4.801 4.320 0.001 0.000 0.254 420 K C -0.064 176.602 176.600 0.111 0.000 0.961 420 K CA -0.692 55.630 56.287 0.058 0.000 0.876 420 K CB 1.683 34.208 32.500 0.042 0.000 1.077 420 K HN 0.188 nan 8.250 nan 0.000 0.440 421 K N 0.604 121.067 120.400 0.105 0.000 2.380 421 K HA 0.152 4.472 4.320 0.001 0.000 0.267 421 K C -0.291 176.400 176.600 0.152 0.000 0.990 421 K CA -0.217 56.153 56.287 0.138 0.000 0.946 421 K CB 0.565 33.128 32.500 0.106 0.000 0.937 421 K HN 0.173 nan 8.250 nan 0.000 0.491 422 V N 4.518 124.556 119.914 0.207 0.000 2.378 422 V HA 0.312 4.432 4.120 0.001 0.000 0.288 422 V C -0.240 175.983 176.094 0.215 0.000 1.016 422 V CA -0.697 61.713 62.300 0.184 0.000 0.840 422 V CB 1.092 33.029 31.823 0.191 0.000 0.994 422 V HN 0.554 nan 8.190 nan 0.000 0.431 423 I N 5.602 126.248 120.570 0.127 0.000 2.312 423 I HA 0.488 4.659 4.170 0.001 0.000 0.290 423 I C -0.520 175.642 176.117 0.075 0.000 1.008 423 I CA -0.606 60.766 61.300 0.119 0.000 1.226 423 I CB 1.658 39.701 38.000 0.072 0.000 1.371 423 I HN 0.272 nan 8.210 nan 0.000 0.468 424 V N 7.172 127.161 119.914 0.125 0.000 2.495 424 V HA 0.604 4.725 4.120 0.001 0.000 0.298 424 V C -0.136 175.995 176.094 0.062 0.000 1.031 424 V CA -0.603 61.722 62.300 0.041 0.000 0.871 424 V CB 1.754 33.599 31.823 0.037 0.000 0.988 424 V HN 0.865 nan 8.190 nan 0.000 0.432 425 K N 4.081 124.487 120.400 0.010 0.000 2.571 425 K HA 0.731 5.052 4.320 0.001 0.000 0.289 425 K C -1.969 174.632 176.600 0.002 0.000 1.028 425 K CA -1.071 55.230 56.287 0.023 0.000 0.895 425 K CB 1.939 34.453 32.500 0.023 0.000 1.534 425 K HN 0.418 nan 8.250 nan 0.000 0.421 426 L N 1.059 122.289 121.223 0.013 0.000 2.331 426 L HA 0.469 4.810 4.340 0.001 0.000 0.275 426 L C 1.098 177.969 176.870 0.002 0.000 1.022 426 L CA -0.743 54.100 54.840 0.005 0.000 0.812 426 L CB 1.778 43.846 42.059 0.015 0.000 1.257 426 L HN 1.049 nan 8.230 nan 0.000 0.435 427 A N 1.724 124.542 122.820 -0.004 0.000 2.014 427 A HA -0.035 4.285 4.320 0.001 0.000 0.218 427 A C 0.221 177.805 177.584 -0.000 0.000 1.163 427 A CA 1.386 53.421 52.037 -0.004 0.000 0.652 427 A CB -0.547 18.448 19.000 -0.008 0.000 0.808 427 A HN 0.907 nan 8.150 nan 0.000 0.449 428 D N -4.396 116.005 120.400 0.002 0.000 2.599 428 D HA 0.365 5.006 4.640 0.001 0.000 0.252 428 D C -0.919 175.384 176.300 0.006 0.000 1.232 428 D CA -0.487 53.515 54.000 0.003 0.000 0.819 428 D CB 0.253 41.053 40.800 0.001 0.000 1.401 428 D HN -0.183 nan 8.370 nan 0.000 0.429 429 T N 2.247 116.806 114.554 0.007 0.000 2.769 429 T HA 0.374 4.724 4.350 0.001 0.000 0.293 429 T C -2.131 172.573 174.700 0.005 0.000 0.931 429 T CA -0.595 61.510 62.100 0.009 0.000 1.139 429 T CB 0.350 69.223 68.868 0.009 0.000 0.881 429 T HN 0.310 nan 8.240 nan 0.000 0.532 430 P HA 0.335 nan 4.420 nan 0.000 0.277 430 P C -0.818 176.478 177.300 -0.006 0.000 1.240 430 P CA -0.639 62.460 63.100 -0.001 0.000 0.798 430 P CB 0.907 32.607 31.700 -0.000 0.000 0.979 431 Q N 1.038 120.833 119.800 -0.008 0.000 2.340 431 Q HA 0.399 4.740 4.340 0.001 0.000 0.276 431 Q C -0.804 175.190 176.000 -0.009 0.000 1.048 431 Q CA -0.681 55.116 55.803 -0.010 0.000 0.832 431 Q CB 2.473 31.214 28.738 0.006 0.000 1.373 431 Q HN 0.483 nan 8.270 nan 0.000 0.409 432 L N 2.121 123.329 121.223 -0.026 0.000 2.283 432 L HA 0.341 4.682 4.340 0.001 0.000 0.287 432 L C -0.210 176.748 176.870 0.146 0.000 1.073 432 L CA 0.153 54.997 54.840 0.006 0.000 0.822 432 L CB 0.864 42.834 42.059 -0.149 0.000 1.186 432 L HN 0.461 nan 8.230 nan 0.000 0.436 433 T N 1.963 116.601 114.554 0.140 0.000 2.794 433 T HA 0.113 4.464 4.350 0.001 0.000 0.280 433 T C -0.212 174.504 174.700 0.026 0.000 0.987 433 T CA -0.568 61.601 62.100 0.114 0.000 0.993 433 T CB 1.437 70.325 68.868 0.033 0.000 0.939 433 T HN 0.412 nan 8.240 nan 0.000 0.449 434 D N 2.492 122.802 120.400 -0.150 0.000 2.531 434 D HA -0.046 4.595 4.640 0.001 0.000 0.239 434 D C 1.302 177.454 176.300 -0.246 0.000 1.144 434 D CA 0.147 53.846 54.000 -0.501 0.000 0.869 434 D CB 1.031 41.571 40.800 -0.434 0.000 1.160 434 D HN 0.200 nan 8.370 nan 0.000 0.484 435 V N 4.628 124.402 119.914 -0.233 0.000 2.469 435 V HA -0.219 3.902 4.120 0.001 0.000 0.251 435 V C 2.066 178.098 176.094 -0.104 0.000 1.064 435 V CA 1.469 63.694 62.300 -0.126 0.000 1.066 435 V CB -0.175 31.588 31.823 -0.099 0.000 0.667 435 V HN 0.601 nan 8.190 nan 0.000 0.461 436 L N -0.777 120.370 121.223 -0.126 0.000 2.640 436 L HA 0.310 4.651 4.340 0.001 0.000 0.230 436 L C 0.475 177.296 176.870 -0.082 0.000 1.123 436 L CA 0.123 54.909 54.840 -0.090 0.000 0.900 436 L CB 0.219 42.228 42.059 -0.084 0.000 1.146 436 L HN 0.244 nan 8.230 nan 0.000 0.484 437 N N -0.566 118.075 118.700 -0.099 0.000 2.607 437 N HA 0.031 4.772 4.740 0.001 0.000 0.271 437 N C 0.783 176.262 175.510 -0.053 0.000 1.142 437 N CA 0.100 53.108 53.050 -0.070 0.000 0.810 437 N CB 1.447 39.894 38.487 -0.067 0.000 1.306 437 N HN -0.101 nan 8.380 nan 0.000 0.536 438 S N 1.442 117.121 115.700 -0.035 0.000 2.400 438 S HA -0.221 4.249 4.470 0.001 0.000 0.234 438 S C 1.689 176.285 174.600 -0.006 0.000 1.049 438 S CA 2.626 60.814 58.200 -0.020 0.000 1.039 438 S CB -0.260 62.931 63.200 -0.015 0.000 0.856 438 S HN 0.658 nan 8.310 nan 0.000 0.465 439 T N -1.231 113.320 114.554 -0.004 0.000 3.088 439 T HA 0.258 4.609 4.350 0.001 0.000 0.259 439 T C 0.526 175.240 174.700 0.022 0.000 1.122 439 T CA 0.258 62.363 62.100 0.008 0.000 1.095 439 T CB -0.279 68.593 68.868 0.006 0.000 0.930 439 T HN 0.150 nan 8.240 nan 0.000 0.508 440 V N 2.523 122.450 119.914 0.021 0.000 2.368 440 V HA 0.399 4.520 4.120 0.001 0.000 0.266 440 V C -0.357 175.813 176.094 0.127 0.000 1.045 440 V CA -0.409 61.929 62.300 0.063 0.000 0.899 440 V CB 0.512 32.357 31.823 0.037 0.000 1.006 440 V HN 0.519 nan 8.190 nan 0.000 0.470 441 Q N 5.107 124.989 119.800 0.137 0.000 2.379 441 Q HA 0.671 5.012 4.340 0.001 0.000 0.278 441 Q C -1.303 174.740 176.000 0.072 0.000 1.068 441 Q CA -0.721 55.161 55.803 0.131 0.000 0.816 441 Q CB 3.262 32.040 28.738 0.066 0.000 1.387 441 Q HN 0.608 nan 8.270 nan 0.000 0.413 442 M N 1.980 121.581 119.600 0.002 0.000 2.321 442 M HA 0.468 4.949 4.480 0.001 0.000 0.315 442 M C -2.565 173.694 176.300 -0.068 0.000 1.052 442 M CA -2.140 53.115 55.300 -0.075 0.000 0.936 442 M CB 2.031 34.497 32.600 -0.224 0.000 1.639 442 M HN 0.201 nan 8.290 nan 0.000 0.433 443 P HA 0.228 nan 4.420 nan 0.000 0.271 443 P C -0.943 176.329 177.300 -0.046 0.000 1.216 443 P CA 0.154 63.238 63.100 -0.027 0.000 0.771 443 P CB 0.398 32.094 31.700 -0.005 0.000 0.864 444 I N 1.678 122.226 120.570 -0.037 0.000 2.359 444 I HA 0.241 4.412 4.170 0.001 0.000 0.294 444 I C 0.639 176.755 176.117 -0.001 0.000 0.987 444 I CA -0.257 61.022 61.300 -0.035 0.000 1.225 444 I CB 1.335 39.313 38.000 -0.036 0.000 1.366 444 I HN 0.245 nan 8.210 nan 0.000 0.466 445 S N 5.067 120.774 115.700 0.013 0.000 2.454 445 S HA 0.671 5.141 4.470 0.001 0.000 0.306 445 S C -0.652 173.979 174.600 0.051 0.000 1.100 445 S CA -0.517 57.703 58.200 0.032 0.000 1.087 445 S CB 1.234 64.455 63.200 0.035 0.000 1.019 445 S HN 0.308 nan 8.310 nan 0.000 0.480 446 V N 3.924 123.876 119.914 0.063 0.000 2.604 446 V HA 0.787 4.907 4.120 0.001 0.000 0.305 446 V C -0.180 175.981 176.094 0.111 0.000 1.043 446 V CA -0.728 61.625 62.300 0.088 0.000 0.888 446 V CB 1.673 33.547 31.823 0.085 0.000 0.995 446 V HN 0.909 nan 8.190 nan 0.000 0.429 447 S N 3.342 119.122 115.700 0.132 0.000 2.569 447 S HA 0.829 5.300 4.470 0.001 0.000 0.280 447 S C -1.774 172.969 174.600 0.237 0.000 1.111 447 S CA -0.641 57.656 58.200 0.161 0.000 0.887 447 S CB 2.268 65.530 63.200 0.103 0.000 1.095 447 S HN 0.881 nan 8.310 nan 0.000 0.476 448 W N 1.869 123.206 121.300 0.062 0.000 3.097 448 W HA 0.561 5.221 4.660 0.001 0.000 0.335 448 W C 0.577 177.120 176.519 0.040 0.000 1.114 448 W CA 0.373 57.730 57.345 0.019 0.000 1.231 448 W CB 1.386 30.837 29.460 -0.015 0.000 1.388 448 W HN 1.702 nan 8.180 nan 0.000 0.485 449 G N 3.198 111.463 108.800 -0.892 0.000 2.283 449 G HA2 0.112 4.073 3.960 0.001 0.000 0.280 449 G HA3 0.112 4.073 3.960 0.001 0.000 0.280 449 G C 1.017 175.807 174.900 -0.185 0.000 1.029 449 G CA 1.253 45.860 45.100 -0.823 0.000 0.840 449 G HN 2.252 nan 8.290 nan 0.000 0.505 450 G N -2.330 106.411 108.800 -0.099 0.000 2.143 450 G HA2 -0.166 3.794 3.960 0.001 0.000 0.249 450 G HA3 -0.166 3.794 3.960 0.001 0.000 0.249 450 G C 0.040 174.984 174.900 0.073 0.000 0.981 450 G CA 0.904 46.000 45.100 -0.006 0.000 0.665 450 G HN 1.188 nan 8.290 nan 0.000 0.528 451 Q N -0.048 119.851 119.800 0.165 0.000 2.340 451 Q HA 0.535 4.876 4.340 0.001 0.000 0.268 451 Q C 0.135 176.241 176.000 0.176 0.000 1.031 451 Q CA -0.714 55.197 55.803 0.181 0.000 0.804 451 Q CB 2.497 31.400 28.738 0.274 0.000 1.286 451 Q HN 0.213 nan 8.270 nan 0.000 0.448 452 V N 4.342 124.323 119.914 0.111 0.000 2.485 452 V HA 0.094 4.214 4.120 0.001 0.000 0.287 452 V C 0.637 176.799 176.094 0.113 0.000 1.022 452 V CA 0.180 62.539 62.300 0.100 0.000 1.067 452 V CB -0.107 31.754 31.823 0.063 0.000 0.967 452 V HN 0.535 nan 8.190 nan 0.000 0.479 453 L N 5.091 126.389 121.223 0.124 0.000 2.416 453 L HA 0.798 5.138 4.340 0.001 0.000 0.262 453 L C 0.440 177.354 176.870 0.072 0.000 1.093 453 L CA 0.015 54.923 54.840 0.113 0.000 0.801 453 L CB 1.670 43.805 42.059 0.127 0.000 1.191 453 L HN 0.870 nan 8.230 nan 0.000 0.459 454 S N -2.298 113.438 115.700 0.059 0.000 2.703 454 S HA 0.188 4.659 4.470 0.001 0.000 0.273 454 S C 0.322 174.942 174.600 0.033 0.000 1.178 454 S CA -0.016 58.208 58.200 0.040 0.000 0.838 454 S CB 1.076 64.296 63.200 0.035 0.000 1.178 454 S HN 0.671 nan 8.310 nan 0.000 0.494 455 T N -0.920 113.648 114.554 0.024 0.000 3.163 455 T HA 0.176 4.527 4.350 0.001 0.000 0.260 455 T C 0.580 175.291 174.700 0.019 0.000 1.156 455 T CA 0.868 62.979 62.100 0.018 0.000 1.072 455 T CB -0.754 68.122 68.868 0.013 0.000 0.937 455 T HN 0.604 nan 8.240 nan 0.000 0.528 456 T N 2.992 117.560 114.554 0.023 0.000 2.733 456 T HA 0.658 5.009 4.350 0.001 0.000 0.294 456 T C 0.394 175.112 174.700 0.030 0.000 0.956 456 T CA -0.589 61.524 62.100 0.022 0.000 0.987 456 T CB 0.916 69.795 68.868 0.018 0.000 0.920 456 T HN 0.526 nan 8.240 nan 0.000 0.470 457 A N 4.631 127.469 122.820 0.031 0.000 2.483 457 A HA 0.393 4.714 4.320 0.001 0.000 0.238 457 A C 0.421 178.032 177.584 0.044 0.000 1.070 457 A CA 0.079 52.143 52.037 0.044 0.000 0.770 457 A CB 0.284 19.308 19.000 0.039 0.000 1.008 457 A HN 0.772 nan 8.150 nan 0.000 0.497 458 K N 0.851 121.294 120.400 0.073 0.000 2.267 458 K HA 0.438 4.758 4.320 0.001 0.000 0.246 458 K C -0.891 175.745 176.600 0.060 0.000 0.954 458 K CA -0.470 55.835 56.287 0.031 0.000 0.824 458 K CB 1.928 34.440 32.500 0.021 0.000 1.167 458 K HN 0.826 nan 8.250 nan 0.000 0.431 459 E N 1.923 122.096 120.200 -0.046 0.000 2.183 459 E HA 0.317 4.667 4.350 0.001 0.000 0.271 459 E C -1.156 175.383 176.600 -0.102 0.000 0.919 459 E CA -0.628 55.786 56.400 0.024 0.000 0.781 459 E CB 1.325 31.037 29.700 0.021 0.000 1.140 459 E HN 0.246 nan 8.360 nan 0.000 0.402 460 F N 2.077 122.096 119.950 0.114 0.000 2.403 460 F HA 0.180 4.708 4.527 0.001 0.000 0.355 460 F C 0.717 176.579 175.800 0.103 0.000 1.119 460 F CA -0.906 57.167 58.000 0.121 0.000 1.007 460 F CB 1.192 40.312 39.000 0.200 0.000 1.194 460 F HN 0.201 nan 8.300 nan 0.000 0.443 461 E N 1.602 121.917 120.200 0.192 0.000 2.415 461 E HA 0.093 4.444 4.350 0.001 0.000 0.262 461 E C 0.898 177.614 176.600 0.194 0.000 1.038 461 E CA 0.154 56.645 56.400 0.152 0.000 0.921 461 E CB 1.091 30.846 29.700 0.090 0.000 0.950 461 E HN 0.745 nan 8.360 nan 0.000 0.438 462 A N 2.847 125.786 122.820 0.200 0.000 2.019 462 A HA -0.136 4.184 4.320 0.001 0.000 0.219 462 A C 2.044 179.769 177.584 0.235 0.000 1.164 462 A CA 1.802 54.010 52.037 0.285 0.000 0.644 462 A CB -0.317 18.848 19.000 0.276 0.000 0.805 462 A HN 0.625 nan 8.150 nan 0.000 0.449 463 A N -0.404 122.505 122.820 0.149 0.000 1.969 463 A HA 0.281 4.601 4.320 0.001 0.000 0.218 463 A C 2.087 179.713 177.584 0.070 0.000 1.169 463 A CA 1.559 53.659 52.037 0.105 0.000 0.635 463 A CB -0.566 18.477 19.000 0.072 0.000 0.810 463 A HN 1.074 nan 8.150 nan 0.000 0.445 464 A N -1.253 121.612 122.820 0.074 0.000 2.370 464 A HA 0.548 4.868 4.320 0.001 0.000 0.238 464 A C 1.323 178.923 177.584 0.026 0.000 1.289 464 A CA -0.044 52.025 52.037 0.053 0.000 0.885 464 A CB -0.333 18.711 19.000 0.073 0.000 0.961 464 A HN 0.396 nan 8.150 nan 0.000 0.499 465 L N -1.447 119.751 121.223 -0.041 0.000 2.664 465 L HA 0.268 4.609 4.340 0.001 0.000 0.233 465 L C 1.421 178.084 176.870 -0.344 0.000 1.113 465 L CA 0.590 55.303 54.840 -0.212 0.000 0.896 465 L CB 0.368 42.235 42.059 -0.319 0.000 1.163 465 L HN 0.518 nan 8.230 nan 0.000 0.497 466 G N 0.067 108.746 108.800 -0.201 0.000 2.298 466 G HA2 -0.325 3.635 3.960 0.001 0.000 0.287 466 G HA3 -0.325 3.635 3.960 0.001 0.000 0.287 466 G C -0.153 174.661 174.900 -0.143 0.000 1.075 466 G CA -0.278 44.739 45.100 -0.137 0.000 0.960 466 G HN 0.260 nan 8.290 nan 0.000 0.502 467 Y N 0.641 120.945 120.300 0.005 0.000 2.497 467 Y HA 0.329 4.879 4.550 0.001 0.000 0.334 467 Y C 1.493 177.388 175.900 -0.008 0.000 1.199 467 Y CA 0.465 58.564 58.100 -0.003 0.000 1.425 467 Y CB 0.980 39.443 38.460 0.005 0.000 1.291 467 Y HN 0.435 nan 8.280 nan 0.000 0.562 468 S N 1.504 117.314 115.700 0.183 0.000 2.415 468 S HA 0.494 4.964 4.470 0.001 0.000 0.313 468 S C 0.671 175.310 174.600 0.065 0.000 1.067 468 S CA -0.495 57.757 58.200 0.087 0.000 1.099 468 S CB 1.317 64.547 63.200 0.050 0.000 0.991 468 S HN 0.848 nan 8.310 nan 0.000 0.491 469 A N 3.473 126.323 122.820 0.051 0.000 1.969 469 A HA 0.021 4.341 4.320 0.001 0.000 0.218 469 A C 2.221 179.816 177.584 0.018 0.000 1.169 469 A CA 1.397 53.450 52.037 0.028 0.000 0.635 469 A CB -0.762 18.252 19.000 0.023 0.000 0.810 469 A HN 0.694 nan 8.150 nan 0.000 0.445 470 S N -0.638 115.074 115.700 0.020 0.000 2.388 470 S HA 0.154 4.625 4.470 0.001 0.000 0.223 470 S C 1.767 176.375 174.600 0.014 0.000 1.034 470 S CA 0.618 58.826 58.200 0.014 0.000 0.963 470 S CB -0.429 62.778 63.200 0.012 0.000 0.827 470 S HN 0.726 nan 8.310 nan 0.000 0.481 471 G N 1.579 110.390 108.800 0.018 0.000 2.781 471 G HA2 0.187 4.148 3.960 0.001 0.000 0.157 471 G HA3 0.187 4.148 3.960 0.001 0.000 0.157 471 G C -0.084 174.825 174.900 0.015 0.000 1.823 471 G CA 0.325 45.434 45.100 0.016 0.000 0.932 471 G HN 0.329 nan 8.290 nan 0.000 0.398 472 V N 0.969 120.891 119.914 0.013 0.000 2.581 472 V HA 0.283 4.403 4.120 0.001 0.000 0.303 472 V C 0.178 176.275 176.094 0.006 0.000 1.041 472 V CA -1.148 61.156 62.300 0.008 0.000 0.907 472 V CB 1.596 33.419 31.823 -0.000 0.000 0.994 472 V HN 0.667 nan 8.190 nan 0.000 0.442 473 N N 2.536 121.236 118.700 -0.001 0.000 2.454 473 N HA 0.074 4.814 4.740 0.001 0.000 0.260 473 N C 1.159 176.645 175.510 -0.041 0.000 1.218 473 N CA 1.270 54.307 53.050 -0.022 0.000 0.904 473 N CB 0.915 39.390 38.487 -0.021 0.000 1.065 473 N HN 1.189 nan 8.380 nan 0.000 0.462 474 G N 2.159 110.902 108.800 -0.095 0.000 2.168 474 G HA2 -0.252 3.709 3.960 0.001 0.000 0.263 474 G HA3 -0.252 3.709 3.960 0.001 0.000 0.263 474 G C -0.057 174.904 174.900 0.101 0.000 0.977 474 G CA 0.375 45.392 45.100 -0.138 0.000 0.659 474 G HN 0.553 nan 8.290 nan 0.000 0.533 475 V N 1.419 121.389 119.914 0.093 0.000 2.364 475 V HA 0.594 4.714 4.120 0.001 0.000 0.272 475 V C 1.152 177.318 176.094 0.121 0.000 1.036 475 V CA 0.165 62.435 62.300 -0.049 0.000 0.880 475 V CB 1.345 33.015 31.823 -0.254 0.000 0.991 475 V HN 0.411 nan 8.190 nan 0.000 0.460 476 S N 3.537 119.255 115.700 0.030 0.000 2.580 476 S HA 0.209 4.680 4.470 0.001 0.000 0.266 476 S C 0.716 175.215 174.600 -0.169 0.000 1.354 476 S CA -0.204 57.834 58.200 -0.270 0.000 1.008 476 S CB 0.589 63.696 63.200 -0.155 0.000 0.898 476 S HN 1.063 nan 8.310 nan 0.000 0.555 477 S N 2.229 117.796 115.700 -0.221 0.000 2.617 477 S HA 0.392 4.863 4.470 0.001 0.000 0.269 477 S C 0.024 174.543 174.600 -0.135 0.000 1.292 477 S CA -0.824 57.293 58.200 -0.138 0.000 1.010 477 S CB 0.810 63.930 63.200 -0.133 0.000 0.944 477 S HN 0.599 nan 8.310 nan 0.000 0.536 478 S N 2.529 118.168 115.700 -0.102 0.000 2.558 478 S HA 0.135 4.605 4.470 0.001 0.000 0.293 478 S C -0.188 174.292 174.600 -0.200 0.000 1.292 478 S CA -0.233 57.902 58.200 -0.108 0.000 1.063 478 S CB -0.159 62.996 63.200 -0.076 0.000 0.831 478 S HN 0.666 nan 8.310 nan 0.000 0.499 479 Q N 1.854 121.501 119.800 -0.256 0.000 2.323 479 Q HA 0.326 4.666 4.340 0.001 0.000 0.271 479 Q C -0.603 175.144 176.000 -0.422 0.000 1.048 479 Q CA -0.467 55.025 55.803 -0.518 0.000 0.792 479 Q CB 2.049 30.158 28.738 -1.048 0.000 1.280 479 Q HN 0.752 nan 8.270 nan 0.000 0.441 480 E N 2.393 122.360 120.200 -0.389 0.000 2.259 480 E HA 0.268 4.618 4.350 0.001 0.000 0.281 480 E C -0.989 175.506 176.600 -0.175 0.000 1.037 480 E CA -0.557 55.708 56.400 -0.225 0.000 0.854 480 E CB 0.760 30.361 29.700 -0.164 0.000 1.051 480 E HN 0.314 nan 8.360 nan 0.000 0.409 481 L N 5.451 126.660 121.223 -0.022 0.000 2.289 481 L HA 0.391 4.731 4.340 0.001 0.000 0.285 481 L C -1.419 175.450 176.870 -0.001 0.000 1.049 481 L CA -0.508 54.408 54.840 0.127 0.000 0.804 481 L CB 1.598 43.793 42.059 0.226 0.000 1.195 481 L HN 0.307 nan 8.230 nan 0.000 0.428 482 V N 6.901 126.848 119.914 0.055 0.000 2.482 482 V HA 0.461 4.581 4.120 0.001 0.000 0.295 482 V C -0.236 175.915 176.094 0.095 0.000 1.026 482 V CA -0.431 61.885 62.300 0.028 0.000 0.856 482 V CB 1.568 33.402 31.823 0.018 0.000 1.001 482 V HN 0.614 nan 8.190 nan 0.000 0.424 483 I N 4.733 125.389 120.570 0.143 0.000 2.362 483 I HA 0.646 4.816 4.170 0.001 0.000 0.289 483 I C 0.172 176.361 176.117 0.121 0.000 0.994 483 I CA -0.012 61.379 61.300 0.153 0.000 1.158 483 I CB 1.975 40.104 38.000 0.216 0.000 1.315 483 I HN 0.751 nan 8.210 nan 0.000 0.451 484 S N 4.618 120.362 115.700 0.074 0.000 2.661 484 S HA 0.967 5.438 4.470 0.001 0.000 0.285 484 S C -0.749 173.855 174.600 0.007 0.000 1.138 484 S CA -0.823 57.412 58.200 0.059 0.000 0.855 484 S CB 2.651 65.893 63.200 0.070 0.000 1.136 484 S HN 0.756 nan 8.310 nan 0.000 0.484 485 A N -0.060 122.754 122.820 -0.010 0.000 2.587 485 A HA 1.021 5.342 4.320 0.001 0.000 0.293 485 A C -0.817 176.793 177.584 0.043 0.000 1.087 485 A CA -0.535 51.447 52.037 -0.092 0.000 0.692 485 A CB 1.254 20.045 19.000 -0.348 0.000 1.291 485 A HN 2.156 nan 8.150 nan 0.000 0.407 486 A N 0.809 123.656 122.820 0.045 0.000 2.604 486 A HA 0.861 5.182 4.320 0.001 0.000 0.295 486 A C -3.227 174.419 177.584 0.103 0.000 1.067 486 A CA -1.394 50.742 52.037 0.165 0.000 0.683 486 A CB 0.839 19.906 19.000 0.111 0.000 1.281 486 A HN 0.525 nan 8.150 nan 0.000 0.407 487 P HA 0.056 nan 4.420 nan 0.000 0.264 487 P C 1.114 178.442 177.300 0.047 0.000 1.179 487 P CA 0.524 63.673 63.100 0.083 0.000 0.763 487 P CB 0.778 32.532 31.700 0.090 0.000 0.806 488 S N 1.388 117.107 115.700 0.031 0.000 2.365 488 S HA -0.101 4.370 4.470 0.001 0.000 0.225 488 S C 0.510 175.128 174.600 0.030 0.000 1.039 488 S CA 1.610 59.826 58.200 0.027 0.000 1.033 488 S CB -0.523 62.694 63.200 0.029 0.000 0.887 488 S HN 0.611 nan 8.310 nan 0.000 0.447 489 T N 2.227 116.802 114.554 0.034 0.000 2.756 489 T HA 0.696 5.047 4.350 0.001 0.000 0.290 489 T C -0.313 174.407 174.700 0.034 0.000 0.985 489 T CA -0.287 61.831 62.100 0.031 0.000 0.955 489 T CB 1.412 70.297 68.868 0.029 0.000 0.930 489 T HN 0.412 nan 8.240 nan 0.000 0.451 490 A N 2.265 125.103 122.820 0.030 0.000 2.540 490 A HA 0.520 4.841 4.320 0.001 0.000 0.239 490 A C 1.593 179.193 177.584 0.027 0.000 1.061 490 A CA 0.452 52.507 52.037 0.030 0.000 0.758 490 A CB -0.782 18.234 19.000 0.026 0.000 0.991 490 A HN 1.753 nan 8.150 nan 0.000 0.502 491 G N 1.158 109.975 108.800 0.028 0.000 2.175 491 G HA2 -0.155 3.805 3.960 0.001 0.000 0.244 491 G HA3 -0.155 3.805 3.960 0.001 0.000 0.244 491 G C 0.471 175.387 174.900 0.027 0.000 0.982 491 G CA 0.626 45.740 45.100 0.023 0.000 0.641 491 G HN 1.373 nan 8.290 nan 0.000 0.527 492 T N 0.185 114.759 114.554 0.034 0.000 2.940 492 T HA 0.757 5.107 4.350 0.001 0.000 0.288 492 T C 0.368 175.098 174.700 0.051 0.000 1.033 492 T CA 0.719 62.842 62.100 0.039 0.000 1.033 492 T CB 1.294 70.185 68.868 0.038 0.000 1.079 492 T HN 1.406 nan 8.240 nan 0.000 0.496 493 A N 3.987 126.840 122.820 0.055 0.000 2.304 493 A HA 0.724 5.045 4.320 0.001 0.000 0.301 493 A C -2.451 175.173 177.584 0.067 0.000 1.132 493 A CA -1.504 50.577 52.037 0.073 0.000 0.819 493 A CB -0.137 18.908 19.000 0.075 0.000 1.094 493 A HN 0.625 nan 8.150 nan 0.000 0.492 494 P HA 0.171 nan 4.420 nan 0.000 0.268 494 P C -0.054 177.276 177.300 0.050 0.000 1.204 494 P CA 0.244 63.361 63.100 0.028 0.000 0.768 494 P CB 0.321 31.974 31.700 -0.077 0.000 0.842 495 T N 2.361 116.987 114.554 0.121 0.000 2.928 495 T HA 0.276 4.626 4.350 0.001 0.000 0.305 495 T C 0.596 175.392 174.700 0.160 0.000 1.035 495 T CA 0.024 62.202 62.100 0.130 0.000 1.145 495 T CB 0.141 69.097 68.868 0.147 0.000 0.963 495 T HN 0.468 nan 8.240 nan 0.000 0.545 496 A N 2.702 125.569 122.820 0.078 0.000 2.498 496 A HA 0.619 4.939 4.320 0.001 0.000 0.239 496 A C 0.997 178.597 177.584 0.027 0.000 1.068 496 A CA 0.419 52.490 52.037 0.056 0.000 0.766 496 A CB -0.376 18.640 19.000 0.028 0.000 1.003 496 A HN 1.331 nan 8.150 nan 0.000 0.497 497 G N 1.364 110.175 108.800 0.018 0.000 2.362 497 G HA2 0.242 4.203 3.960 0.001 0.000 0.288 497 G HA3 0.242 4.203 3.960 0.001 0.000 0.288 497 G C -1.517 173.318 174.900 -0.108 0.000 1.305 497 G CA -0.933 44.099 45.100 -0.112 0.000 0.910 497 G HN 0.777 nan 8.290 nan 0.000 0.518 498 N N -0.208 118.369 118.700 -0.205 0.000 2.430 498 N HA 0.667 5.408 4.740 0.001 0.000 0.292 498 N C -1.426 173.934 175.510 -0.249 0.000 1.051 498 N CA -0.056 52.932 53.050 -0.102 0.000 0.917 498 N CB 1.397 39.850 38.487 -0.056 0.000 1.164 498 N HN 0.412 nan 8.380 nan 0.000 0.484 499 Y N -0.359 119.921 120.300 -0.034 0.000 2.485 499 Y HA 0.502 5.053 4.550 0.001 0.000 0.345 499 Y C 0.445 176.308 175.900 -0.061 0.000 0.998 499 Y CA -0.594 57.472 58.100 -0.057 0.000 1.059 499 Y CB 2.109 40.513 38.460 -0.093 0.000 1.234 499 Y HN 0.316 nan 8.280 nan 0.000 0.461 500 S N 0.586 116.339 115.700 0.090 0.000 2.556 500 S HA 0.906 5.377 4.470 0.001 0.000 0.271 500 S C -0.818 173.793 174.600 0.018 0.000 1.135 500 S CA -0.218 58.000 58.200 0.029 0.000 0.858 500 S CB 1.651 64.853 63.200 0.002 0.000 1.114 500 S HN 1.108 nan 8.310 nan 0.000 0.468 501 G N 0.954 109.751 108.800 -0.005 0.000 2.632 501 G HA2 0.535 4.495 3.960 0.001 0.000 0.292 501 G HA3 0.535 4.495 3.960 0.001 0.000 0.292 501 G C -2.072 172.817 174.900 -0.018 0.000 1.465 501 G CA -0.383 44.711 45.100 -0.010 0.000 0.824 501 G HN 0.819 nan 8.290 nan 0.000 0.509 502 V N 0.731 120.636 119.914 -0.015 0.000 2.384 502 V HA 0.482 4.602 4.120 0.001 0.000 0.287 502 V C 0.001 176.087 176.094 -0.013 0.000 1.020 502 V CA -0.728 61.562 62.300 -0.017 0.000 0.850 502 V CB 1.520 33.334 31.823 -0.015 0.000 0.987 502 V HN 0.599 nan 8.190 nan 0.000 0.436 503 V N 4.354 124.261 119.914 -0.012 0.000 2.385 503 V HA 0.283 4.403 4.120 0.001 0.000 0.269 503 V C 0.468 176.558 176.094 -0.006 0.000 1.043 503 V CA 0.036 62.335 62.300 -0.002 0.000 0.906 503 V CB 1.540 33.370 31.823 0.012 0.000 0.995 503 V HN 0.910 nan 8.190 nan 0.000 0.467 504 S N 6.264 121.959 115.700 -0.008 0.000 2.434 504 S HA 0.421 4.891 4.470 0.001 0.000 0.318 504 S C -0.416 174.171 174.600 -0.022 0.000 1.062 504 S CA -0.368 57.823 58.200 -0.016 0.000 1.116 504 S CB 0.648 63.839 63.200 -0.014 0.000 0.977 504 S HN 0.539 nan 8.310 nan 0.000 0.480 505 L N 6.203 127.405 121.223 -0.036 0.000 2.261 505 L HA 0.503 4.844 4.340 0.001 0.000 0.289 505 L C -0.805 176.014 176.870 -0.084 0.000 1.059 505 L CA -0.100 54.700 54.840 -0.065 0.000 0.816 505 L CB 0.585 42.592 42.059 -0.087 0.000 1.191 505 L HN 0.347 nan 8.230 nan 0.000 0.431 506 V N 6.734 126.601 119.914 -0.079 0.000 2.398 506 V HA 0.492 4.612 4.120 0.001 0.000 0.286 506 V C 0.031 176.066 176.094 -0.099 0.000 1.026 506 V CA -0.438 61.819 62.300 -0.072 0.000 0.868 506 V CB 1.410 33.210 31.823 -0.039 0.000 0.982 506 V HN 0.851 nan 8.190 nan 0.000 0.443 507 M N 4.192 123.727 119.600 -0.109 0.000 2.190 507 M HA 0.544 5.025 4.480 0.001 0.000 0.312 507 M C -0.647 175.618 176.300 -0.059 0.000 0.990 507 M CA 0.086 55.309 55.300 -0.128 0.000 0.927 507 M CB 1.800 34.274 32.600 -0.211 0.000 1.571 507 M HN 0.727 nan 8.290 nan 0.000 0.427 508 T N 4.755 119.294 114.554 -0.025 0.000 2.856 508 T HA 0.582 4.933 4.350 0.001 0.000 0.283 508 T C -0.095 174.622 174.700 0.028 0.000 1.008 508 T CA -0.652 61.450 62.100 0.004 0.000 0.997 508 T CB 1.394 70.269 68.868 0.012 0.000 0.992 508 T HN 0.551 nan 8.240 nan 0.000 0.454 509 L N 1.121 122.364 121.223 0.034 0.000 2.482 509 L HA 0.638 4.979 4.340 0.001 0.000 0.242 509 L C 1.114 178.012 176.870 0.046 0.000 1.210 509 L CA -0.585 54.284 54.840 0.048 0.000 0.819 509 L CB 0.361 42.446 42.059 0.043 0.000 1.203 509 L HN 0.750 nan 8.230 nan 0.000 0.495 510 G N -1.431 107.398 108.800 0.049 0.000 2.478 510 G HA2 0.435 4.396 3.960 0.001 0.000 0.317 510 G HA3 0.435 4.396 3.960 0.001 0.000 0.317 510 G C 0.264 175.182 174.900 0.031 0.000 1.259 510 G CA 0.451 45.576 45.100 0.043 0.000 0.933 510 G HN 0.865 nan 8.290 nan 0.000 0.478 511 S N 1.190 116.906 115.700 0.025 0.000 2.206 511 S HA -0.236 4.235 4.470 0.001 0.000 0.241 511 S C -0.066 174.544 174.600 0.018 0.000 1.163 511 S CA 1.444 59.656 58.200 0.019 0.000 1.532 511 S CB -1.703 61.507 63.200 0.016 0.000 1.946 511 S HN 0.564 nan 8.310 nan 0.000 0.590 512 D N 3.000 123.413 120.400 0.021 0.000 2.347 512 D HA 0.425 5.065 4.640 0.001 0.000 0.235 512 D C -0.121 176.192 176.300 0.023 0.000 1.149 512 D CA -0.271 53.742 54.000 0.022 0.000 0.850 512 D CB 0.460 41.275 40.800 0.024 0.000 1.061 512 D HN 0.584 nan 8.370 nan 0.000 0.487 513 N N 2.883 121.595 118.700 0.020 0.000 3.254 513 N HA 0.017 4.757 4.740 0.001 0.000 0.308 513 N C 0.023 175.544 175.510 0.019 0.000 1.281 513 N CA -0.006 53.055 53.050 0.018 0.000 1.212 513 N CB 0.610 39.106 38.487 0.015 0.000 1.478 513 N HN 0.053 nan 8.380 nan 0.000 0.548 514 K N 1.737 122.150 120.400 0.021 0.000 2.340 514 K HA 0.365 4.686 4.320 0.001 0.000 0.244 514 K C -0.722 175.887 176.600 0.015 0.000 0.973 514 K CA -0.371 55.928 56.287 0.021 0.000 0.828 514 K CB 2.160 34.679 32.500 0.031 0.000 1.226 514 K HN 0.364 nan 8.250 nan 0.000 0.437 515 Q N -0.332 119.473 119.800 0.008 0.000 2.630 515 Q HA 0.556 4.896 4.340 0.001 0.000 0.295 515 Q C -1.835 174.159 176.000 -0.011 0.000 0.944 515 Q CA -1.018 54.783 55.803 -0.003 0.000 0.766 515 Q CB 1.891 30.624 28.738 -0.008 0.000 1.471 515 Q HN 0.246 nan 8.270 nan 0.000 0.416 516 V N 0.033 119.931 119.914 -0.026 0.000 2.823 516 V HA 0.612 4.733 4.120 0.001 0.000 0.312 516 V C -1.655 174.410 176.094 -0.048 0.000 1.072 516 V CA -0.367 61.913 62.300 -0.033 0.000 0.937 516 V CB 2.034 33.836 31.823 -0.035 0.000 1.013 516 V HN 0.900 nan 8.190 nan 0.000 0.430 517 E N 4.477 124.653 120.200 -0.041 0.000 2.218 517 E HA 0.489 4.840 4.350 0.001 0.000 0.263 517 E C -1.362 175.213 176.600 -0.042 0.000 0.879 517 E CA -0.849 55.525 56.400 -0.043 0.000 0.762 517 E CB 1.271 30.952 29.700 -0.031 0.000 1.166 517 E HN 0.520 nan 8.360 nan 0.000 0.415 518 K N 3.533 123.903 120.400 -0.049 0.000 2.293 518 K HA 0.393 4.714 4.320 0.001 0.000 0.267 518 K C -0.831 175.752 176.600 -0.029 0.000 1.010 518 K CA -0.798 55.466 56.287 -0.038 0.000 0.875 518 K CB 1.019 33.495 32.500 -0.041 0.000 1.106 518 K HN 0.432 nan 8.250 nan 0.000 0.450 519 N N 3.746 122.432 118.700 -0.024 0.000 2.437 519 N HA 0.366 5.106 4.740 0.001 0.000 0.259 519 N C -0.307 175.189 175.510 -0.023 0.000 0.983 519 N CA -0.321 52.716 53.050 -0.022 0.000 0.937 519 N CB 1.442 39.916 38.487 -0.021 0.000 1.122 519 N HN 0.436 nan 8.380 nan 0.000 0.499 520 I N 1.465 122.022 120.570 -0.022 0.000 2.382 520 I HA 0.141 4.312 4.170 0.001 0.000 0.286 520 I C 0.317 176.409 176.117 -0.042 0.000 1.002 520 I CA -0.522 60.757 61.300 -0.036 0.000 1.135 520 I CB 1.619 39.601 38.000 -0.030 0.000 1.288 520 I HN 0.144 nan 8.210 nan 0.000 0.448 521 T N 6.033 120.557 114.554 -0.050 0.000 2.779 521 T HA 0.272 4.623 4.350 0.001 0.000 0.296 521 T C 0.027 174.690 174.700 -0.062 0.000 0.938 521 T CA -0.156 61.916 62.100 -0.046 0.000 1.119 521 T CB 0.731 69.575 68.868 -0.039 0.000 0.891 521 T HN 0.193 nan 8.240 nan 0.000 0.526 522 V N 5.353 125.235 119.914 -0.054 0.000 2.398 522 V HA 0.599 4.720 4.120 0.001 0.000 0.286 522 V C 0.545 176.610 176.094 -0.049 0.000 1.026 522 V CA -0.789 61.472 62.300 -0.066 0.000 0.868 522 V CB 1.643 33.428 31.823 -0.064 0.000 0.982 522 V HN 1.080 nan 8.190 nan 0.000 0.443 523 T N 1.547 116.075 114.554 -0.044 0.000 2.916 523 T HA 0.963 5.314 4.350 0.001 0.000 0.292 523 T C -0.500 174.201 174.700 0.001 0.000 1.064 523 T CA -0.638 61.457 62.100 -0.009 0.000 1.011 523 T CB 2.340 71.212 68.868 0.006 0.000 1.152 523 T HN 1.278 nan 8.240 nan 0.000 0.510 524 A N 0.708 123.562 122.820 0.056 0.000 2.605 524 A HA 0.748 5.068 4.320 0.001 0.000 0.294 524 A C -0.935 176.781 177.584 0.220 0.000 1.062 524 A CA -0.919 51.188 52.037 0.118 0.000 0.682 524 A CB 1.344 20.295 19.000 -0.081 0.000 1.278 524 A HN 0.882 nan 8.150 nan 0.000 0.410 525 S N -0.002 115.846 115.700 0.246 0.000 2.571 525 S HA 0.624 5.094 4.470 0.001 0.000 0.284 525 S C -1.049 173.629 174.600 0.129 0.000 1.128 525 S CA -0.496 57.823 58.200 0.198 0.000 0.970 525 S CB 1.717 64.994 63.200 0.128 0.000 1.039 525 S HN 0.974 nan 8.310 nan 0.000 0.485 526 V N 3.636 123.590 119.914 0.066 0.000 2.326 526 V HA 0.315 4.435 4.120 0.001 0.000 0.281 526 V C -0.406 175.687 176.094 -0.001 0.000 1.015 526 V CA -0.911 61.300 62.300 -0.148 0.000 0.823 526 V CB 1.333 32.982 31.823 -0.291 0.000 1.009 526 V HN 0.771 nan 8.190 nan 0.000 0.436 527 D N 5.733 126.164 120.400 0.051 0.000 2.382 527 D HA 0.276 4.917 4.640 0.001 0.000 0.240 527 D C -2.102 174.229 176.300 0.051 0.000 1.146 527 D CA -0.853 53.182 54.000 0.058 0.000 0.897 527 D CB 0.846 41.692 40.800 0.076 0.000 1.197 527 D HN 0.305 nan 8.370 nan 0.000 0.432 528 P HA 0.018 nan 4.420 nan 0.000 0.272 528 P C 0.957 178.282 177.300 0.042 0.000 1.230 528 P CA -0.450 62.671 63.100 0.035 0.000 0.788 528 P CB 0.677 32.391 31.700 0.023 0.000 0.949 529 V N 1.066 121.003 119.914 0.039 0.000 2.515 529 V HA -0.096 4.024 4.120 0.001 0.000 0.250 529 V C 1.785 177.896 176.094 0.028 0.000 1.058 529 V CA 2.016 64.339 62.300 0.038 0.000 1.064 529 V CB -2.090 29.753 31.823 0.034 0.000 0.675 529 V HN 0.814 nan 8.190 nan 0.000 0.461 530 I N 0.000 120.584 120.570 0.023 0.000 2.984 530 I HA 0.000 4.171 4.170 0.001 0.000 0.288 530 I CA 0.000 61.311 61.300 0.018 0.000 1.566 530 I CB 0.000 38.011 38.000 0.019 0.000 1.214 530 I HN 0.000 nan 8.210 nan 0.000 0.494