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 1g6s_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESLTLQPIA RVDGTINLPG SKSVSNRALL LAALAHGKTV LTNLLDSDDV DATA SEQUENCE RHMLNALTAL GVSYTLSADR TRCEIIGNGG PLHAEGALEL FLGNAGTAMR DATA SEQUENCE PLAAALCLGS NDIVLTGEPR MKERPIGHLV DALRLGGAKI TYLEQENYPP DATA SEQUENCE LRLQGGFTGG NVDVDGSVSS QFLTALLMTA PLAPEDTVIR IKGDLVSKPY DATA SEQUENCE IDITLNLMKT FGVEIENQHY QQFVVKGGQS YQSPGTYLVE GDASSASYFL DATA SEQUENCE AAAAIKGGTV KVTGIGRNSM QGDIRFADVL EKMGATICWG DDYISCTRGE DATA SEQUENCE LNAIDMDMNH IPDAAMTIAT AALFAKGTTT LRNIYNWRVK ETDRLFAMAT DATA SEQUENCE ELRKVGAEVE EGHDYIRITP PEKLNFAEIA TYNDHRMAMC FSLVALSDTP DATA SEQUENCE VTILDPKCTA KTFPDYFEQL ARISQAA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.286 176.300 -0.023 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.031 0.000 1.302 2 E N 1.777 121.964 120.200 -0.022 0.000 2.373 2 E HA 0.724 5.074 4.350 -0.001 0.000 0.263 2 E C -0.557 176.022 176.600 -0.036 0.000 1.073 2 E CA 0.025 56.410 56.400 -0.025 0.000 0.894 2 E CB 1.049 30.738 29.700 -0.019 0.000 1.008 2 E HN 0.728 nan 8.360 nan 0.000 0.420 3 S N 1.794 117.466 115.700 -0.046 0.000 2.596 3 S HA 0.621 5.091 4.470 -0.001 0.000 0.270 3 S C -1.326 173.217 174.600 -0.094 0.000 1.155 3 S CA -1.059 57.104 58.200 -0.062 0.000 0.827 3 S CB 1.151 64.329 63.200 -0.037 0.000 1.130 3 S HN 0.447 nan 8.310 nan 0.000 0.467 4 L N 0.958 122.096 121.223 -0.140 0.000 2.431 4 L HA 0.791 5.131 4.340 -0.001 0.000 0.266 4 L C -1.394 175.396 176.870 -0.134 0.000 0.978 4 L CA -0.221 54.503 54.840 -0.194 0.000 0.822 4 L CB 2.267 44.077 42.059 -0.416 0.000 1.310 4 L HN 0.890 nan 8.230 nan 0.000 0.409 5 T N 5.425 119.935 114.554 -0.074 0.000 2.779 5 T HA 0.512 4.862 4.350 -0.001 0.000 0.280 5 T C -0.359 174.340 174.700 -0.003 0.000 0.987 5 T CA -0.310 61.793 62.100 0.006 0.000 0.966 5 T CB 1.141 70.043 68.868 0.057 0.000 0.933 5 T HN 0.393 nan 8.240 nan 0.000 0.442 6 L N 3.634 124.878 121.223 0.036 0.000 2.264 6 L HA 0.395 4.735 4.340 -0.001 0.000 0.289 6 L C 0.775 177.696 176.870 0.084 0.000 1.044 6 L CA -0.774 54.100 54.840 0.057 0.000 0.807 6 L CB 1.137 43.255 42.059 0.100 0.000 1.192 6 L HN 0.490 nan 8.230 nan 0.000 0.425 7 Q N 3.648 123.486 119.800 0.064 0.000 2.354 7 Q HA 0.245 4.585 4.340 -0.001 0.000 0.244 7 Q C -2.162 173.883 176.000 0.074 0.000 0.969 7 Q CA -1.803 54.039 55.803 0.065 0.000 0.885 7 Q CB 0.678 29.441 28.738 0.041 0.000 1.241 7 Q HN 0.324 nan 8.270 nan 0.000 0.461 8 P HA -0.047 nan 4.420 nan 0.000 0.264 8 P C -0.912 176.422 177.300 0.057 0.000 1.183 8 P CA 0.789 63.935 63.100 0.078 0.000 0.763 8 P CB 0.333 32.077 31.700 0.073 0.000 0.807 9 I N 2.288 122.890 120.570 0.053 0.000 2.330 9 I HA 0.238 4.408 4.170 -0.001 0.000 0.289 9 I C 1.287 177.416 176.117 0.021 0.000 1.001 9 I CA -0.338 60.983 61.300 0.034 0.000 1.193 9 I CB 1.569 39.589 38.000 0.033 0.000 1.345 9 I HN 0.363 nan 8.210 nan 0.000 0.461 10 A N 6.506 129.336 122.820 0.016 0.000 1.969 10 A HA 0.051 4.370 4.320 -0.001 0.000 0.218 10 A C 1.168 178.752 177.584 -0.001 0.000 1.169 10 A CA 1.193 53.237 52.037 0.011 0.000 0.635 10 A CB 0.080 19.087 19.000 0.011 0.000 0.810 10 A HN 0.751 nan 8.150 nan 0.000 0.445 11 R N -1.726 118.771 120.500 -0.005 0.000 2.664 11 R HA 0.452 4.791 4.340 -0.001 0.000 0.266 11 R C -1.937 174.357 176.300 -0.010 0.000 1.046 11 R CA -0.157 55.936 56.100 -0.012 0.000 0.885 11 R CB 1.747 32.041 30.300 -0.009 0.000 1.254 11 R HN 0.315 nan 8.270 nan 0.000 0.465 12 V N -0.451 119.456 119.914 -0.012 0.000 2.769 12 V HA 0.784 4.904 4.120 -0.001 0.000 0.312 12 V C -0.933 175.156 176.094 -0.009 0.000 1.061 12 V CA -0.490 61.808 62.300 -0.003 0.000 0.931 12 V CB 1.953 33.785 31.823 0.016 0.000 1.010 12 V HN 0.845 nan 8.190 nan 0.000 0.433 13 D N 0.884 121.275 120.400 -0.015 0.000 2.747 13 D HA 0.578 5.218 4.640 -0.001 0.000 0.218 13 D C -0.338 175.938 176.300 -0.039 0.000 1.230 13 D CA 0.739 54.724 54.000 -0.025 0.000 0.774 13 D CB 2.131 42.916 40.800 -0.025 0.000 1.667 13 D HN 1.455 nan 8.370 nan 0.000 0.499 14 G N 0.972 109.742 108.800 -0.049 0.000 2.339 14 G HA2 0.249 4.208 3.960 -0.001 0.000 0.275 14 G HA3 0.249 4.208 3.960 -0.001 0.000 0.275 14 G C -1.485 173.365 174.900 -0.083 0.000 1.323 14 G CA -0.429 44.630 45.100 -0.068 0.000 0.927 14 G HN 0.453 nan 8.290 nan 0.000 0.486 15 T N 0.421 114.915 114.554 -0.100 0.000 2.881 15 T HA 0.674 5.023 4.350 -0.001 0.000 0.290 15 T C -0.466 174.149 174.700 -0.141 0.000 1.000 15 T CA -0.203 61.832 62.100 -0.107 0.000 0.978 15 T CB 1.473 70.284 68.868 -0.095 0.000 0.997 15 T HN 0.561 nan 8.240 nan 0.000 0.443 16 I N 3.443 123.915 120.570 -0.162 0.000 2.406 16 I HA 0.343 4.512 4.170 -0.001 0.000 0.290 16 I C -0.417 175.636 176.117 -0.106 0.000 0.999 16 I CA -0.966 60.204 61.300 -0.217 0.000 1.124 16 I CB 1.540 39.256 38.000 -0.474 0.000 1.289 16 I HN 0.474 nan 8.210 nan 0.000 0.441 17 N N 7.914 126.568 118.700 -0.077 0.000 2.420 17 N HA 0.366 5.106 4.740 -0.001 0.000 0.249 17 N C -0.500 174.995 175.510 -0.026 0.000 1.033 17 N CA -0.379 52.650 53.050 -0.035 0.000 0.944 17 N CB 1.354 39.825 38.487 -0.028 0.000 1.113 17 N HN 0.424 nan 8.380 nan 0.000 0.502 18 L N 3.426 124.641 121.223 -0.012 0.000 2.461 18 L HA 0.210 4.549 4.340 -0.001 0.000 0.272 18 L C -1.438 175.383 176.870 -0.082 0.000 1.197 18 L CA -1.236 53.587 54.840 -0.027 0.000 0.836 18 L CB -0.064 41.992 42.059 -0.005 0.000 1.105 18 L HN 0.265 nan 8.230 nan 0.000 0.477 19 P HA 0.106 nan 4.420 nan 0.000 0.274 19 P C -0.185 177.029 177.300 -0.142 0.000 1.246 19 P CA -0.417 62.565 63.100 -0.196 0.000 0.795 19 P CB 0.489 31.943 31.700 -0.410 0.000 1.006 20 G N 0.271 109.018 108.800 -0.088 0.000 2.594 20 G HA2 0.194 4.153 3.960 -0.001 0.000 0.243 20 G HA3 0.194 4.153 3.960 -0.001 0.000 0.243 20 G C 0.011 174.881 174.900 -0.050 0.000 1.229 20 G CA -0.275 44.794 45.100 -0.051 0.000 0.843 20 G HN 0.540 nan 8.290 nan 0.000 0.578 21 S N -0.013 115.679 115.700 -0.014 0.000 2.516 21 S HA 0.059 4.528 4.470 -0.001 0.000 0.282 21 S C 1.600 176.210 174.600 0.017 0.000 1.286 21 S CA -0.333 57.871 58.200 0.007 0.000 1.066 21 S CB 0.895 64.117 63.200 0.036 0.000 0.884 21 S HN 0.679 nan 8.310 nan 0.000 0.491 22 K N 3.720 124.130 120.400 0.016 0.000 2.026 22 K HA -0.078 4.242 4.320 -0.001 0.000 0.208 22 K C 1.926 178.543 176.600 0.027 0.000 1.048 22 K CA 1.830 58.125 56.287 0.013 0.000 0.929 22 K CB -0.699 31.810 32.500 0.014 0.000 0.713 22 K HN 0.671 nan 8.250 nan 0.000 0.439 23 S N 0.748 116.487 115.700 0.065 0.000 2.359 23 S HA -0.116 4.354 4.470 -0.001 0.000 0.224 23 S C 2.057 176.698 174.600 0.069 0.000 1.035 23 S CA 1.468 59.721 58.200 0.089 0.000 1.018 23 S CB -0.215 63.107 63.200 0.203 0.000 0.876 23 S HN 0.151 nan 8.310 nan 0.000 0.448 24 V N 1.390 121.353 119.914 0.082 0.000 2.358 24 V HA -0.124 3.995 4.120 -0.001 0.000 0.246 24 V C 2.430 178.567 176.094 0.072 0.000 1.047 24 V CA 1.717 64.076 62.300 0.098 0.000 1.035 24 V CB -0.907 31.003 31.823 0.145 0.000 0.658 24 V HN 0.403 nan 8.190 nan 0.000 0.452 25 S N 0.689 116.419 115.700 0.051 0.000 2.359 25 S HA -0.216 4.254 4.470 -0.001 0.000 0.224 25 S C 1.909 176.492 174.600 -0.028 0.000 1.035 25 S CA 1.822 60.035 58.200 0.022 0.000 1.018 25 S CB -0.455 62.746 63.200 0.002 0.000 0.876 25 S HN 0.586 nan 8.310 nan 0.000 0.448 26 N N 0.751 119.428 118.700 -0.038 0.000 2.270 26 N HA 0.064 4.804 4.740 -0.001 0.000 0.181 26 N C 1.751 177.195 175.510 -0.111 0.000 1.016 26 N CA 0.641 53.648 53.050 -0.072 0.000 0.870 26 N CB -0.171 38.281 38.487 -0.058 0.000 0.979 26 N HN 0.336 nan 8.380 nan 0.000 0.431 27 R N 0.401 120.841 120.500 -0.101 0.000 2.075 27 R HA 0.072 4.412 4.340 -0.001 0.000 0.232 27 R C 2.124 178.253 176.300 -0.284 0.000 1.126 27 R CA 1.290 57.288 56.100 -0.170 0.000 0.963 27 R CB -0.277 29.955 30.300 -0.114 0.000 0.858 27 R HN 0.141 nan 8.270 nan 0.000 0.435 28 A N 1.003 123.703 122.820 -0.200 0.000 1.933 28 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 28 A C 2.128 179.540 177.584 -0.288 0.000 1.175 28 A CA 1.146 53.035 52.037 -0.246 0.000 0.628 28 A CB -0.471 18.520 19.000 -0.015 0.000 0.814 28 A HN 0.179 nan 8.150 nan 0.000 0.444 29 L N -1.214 119.889 121.223 -0.200 0.000 2.056 29 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 29 L C 2.534 179.252 176.870 -0.253 0.000 1.078 29 L CA 1.065 55.785 54.840 -0.198 0.000 0.749 29 L CB -0.452 41.502 42.059 -0.175 0.000 0.901 29 L HN 0.463 nan 8.230 nan 0.000 0.433 30 L N -0.190 120.867 121.223 -0.276 0.000 2.056 30 L HA -0.179 4.160 4.340 -0.001 0.000 0.207 30 L C 2.261 178.882 176.870 -0.416 0.000 1.078 30 L CA 1.729 56.400 54.840 -0.281 0.000 0.749 30 L CB -0.435 41.478 42.059 -0.244 0.000 0.901 30 L HN 0.103 nan 8.230 nan 0.000 0.433 31 L N -0.682 120.131 121.223 -0.684 0.000 2.093 31 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 31 L C 2.659 179.011 176.870 -0.863 0.000 1.085 31 L CA 1.054 55.249 54.840 -1.075 0.000 0.755 31 L CB -0.951 40.040 42.059 -1.780 0.000 0.904 31 L HN 0.362 nan 8.230 nan 0.000 0.435 32 A N 0.152 122.565 122.820 -0.679 0.000 1.933 32 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 32 A C 2.522 180.061 177.584 -0.074 0.000 1.175 32 A CA 1.712 53.678 52.037 -0.119 0.000 0.628 32 A CB -0.599 18.419 19.000 0.029 0.000 0.814 32 A HN 0.400 nan 8.150 nan 0.000 0.444 33 A N -0.479 122.258 122.820 -0.137 0.000 1.930 33 A HA 0.060 4.380 4.320 -0.001 0.000 0.217 33 A C 2.084 179.624 177.584 -0.073 0.000 1.175 33 A CA 1.345 53.336 52.037 -0.075 0.000 0.627 33 A CB -0.466 18.483 19.000 -0.084 0.000 0.815 33 A HN 0.462 nan 8.150 nan 0.000 0.443 34 L N -0.737 120.421 121.223 -0.107 0.000 2.240 34 L HA 0.092 4.431 4.340 -0.001 0.000 0.211 34 L C 1.710 178.604 176.870 0.040 0.000 1.106 34 L CA 0.163 54.983 54.840 -0.034 0.000 0.793 34 L CB -0.520 41.540 42.059 0.001 0.000 0.927 34 L HN 0.400 nan 8.230 nan 0.000 0.446 35 A N -0.864 121.997 122.820 0.068 0.000 2.327 35 A HA 0.236 4.555 4.320 -0.001 0.000 0.255 35 A C -0.674 176.962 177.584 0.086 0.000 1.099 35 A CA -0.199 51.965 52.037 0.212 0.000 0.801 35 A CB -0.070 19.131 19.000 0.335 0.000 1.062 35 A HN 0.245 nan 8.150 nan 0.000 0.496 36 H N -0.721 118.433 119.070 0.140 0.000 2.527 36 H HA 0.550 5.106 4.556 -0.001 0.000 0.321 36 H C 0.838 176.222 175.328 0.094 0.000 1.087 36 H CA 1.001 57.108 56.048 0.098 0.000 1.337 36 H CB 1.040 30.850 29.762 0.079 0.000 1.440 36 H HN 1.371 nan 8.280 nan 0.000 0.490 37 G N 1.620 110.519 108.800 0.166 0.000 2.592 37 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.684 37 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.684 37 G C -0.986 173.973 174.900 0.100 0.000 1.291 37 G CA -0.880 44.293 45.100 0.121 0.000 0.891 37 G HN 0.708 nan 8.290 nan 0.000 0.544 38 K N 0.145 120.594 120.400 0.082 0.000 2.211 38 K HA 0.647 4.966 4.320 -0.001 0.000 0.275 38 K C -0.229 176.419 176.600 0.080 0.000 1.024 38 K CA -0.323 56.011 56.287 0.078 0.000 0.887 38 K CB 0.799 33.338 32.500 0.065 0.000 1.084 38 K HN 0.551 nan 8.250 nan 0.000 0.463 39 T N 2.835 117.448 114.554 0.098 0.000 2.824 39 T HA 0.310 4.660 4.350 -0.001 0.000 0.280 39 T C -0.864 173.894 174.700 0.096 0.000 0.995 39 T CA -0.619 61.541 62.100 0.102 0.000 1.009 39 T CB 1.447 70.418 68.868 0.172 0.000 0.955 39 T HN 0.278 nan 8.240 nan 0.000 0.452 40 V N 5.003 124.970 119.914 0.088 0.000 2.334 40 V HA 0.405 4.525 4.120 -0.001 0.000 0.281 40 V C -0.271 175.889 176.094 0.110 0.000 1.016 40 V CA -0.743 61.607 62.300 0.084 0.000 0.832 40 V CB 1.032 32.892 31.823 0.063 0.000 0.999 40 V HN 0.710 nan 8.190 nan 0.000 0.439 41 L N 5.434 126.724 121.223 0.112 0.000 2.295 41 L HA 0.691 5.031 4.340 -0.001 0.000 0.285 41 L C 0.494 177.413 176.870 0.082 0.000 1.035 41 L CA -0.188 54.737 54.840 0.142 0.000 0.806 41 L CB 1.913 44.053 42.059 0.135 0.000 1.214 41 L HN 0.756 nan 8.230 nan 0.000 0.426 42 T N -1.291 113.300 114.554 0.060 0.000 2.924 42 T HA 0.300 4.650 4.350 -0.001 0.000 0.291 42 T C 0.408 175.112 174.700 0.006 0.000 1.045 42 T CA -0.734 61.379 62.100 0.022 0.000 1.015 42 T CB 1.766 70.636 68.868 0.003 0.000 1.103 42 T HN 0.774 nan 8.240 nan 0.000 0.496 43 N N -0.442 118.258 118.700 -0.000 0.000 2.741 43 N HA -0.162 4.578 4.740 -0.001 0.000 0.250 43 N C -0.365 175.145 175.510 0.000 0.000 1.115 43 N CA 0.022 53.067 53.050 -0.008 0.000 0.724 43 N CB -0.838 37.633 38.487 -0.026 0.000 1.090 43 N HN 0.714 nan 8.380 nan 0.000 0.558 44 L N 1.594 122.824 121.223 0.012 0.000 2.485 44 L HA 0.209 4.548 4.340 -0.001 0.000 0.275 44 L C 0.306 177.172 176.870 -0.007 0.000 1.207 44 L CA 0.124 54.971 54.840 0.011 0.000 0.855 44 L CB 0.482 42.544 42.059 0.006 0.000 1.114 44 L HN 0.210 nan 8.230 nan 0.000 0.485 45 L N 4.299 125.513 121.223 -0.014 0.000 2.367 45 L HA 0.268 4.607 4.340 -0.001 0.000 0.275 45 L C -0.590 176.267 176.870 -0.022 0.000 1.129 45 L CA 0.213 55.038 54.840 -0.026 0.000 0.839 45 L CB 0.616 42.655 42.059 -0.033 0.000 1.133 45 L HN 0.716 nan 8.230 nan 0.000 0.453 46 D N 3.407 123.801 120.400 -0.010 0.000 2.443 46 D HA 0.524 5.164 4.640 -0.001 0.000 0.221 46 D C -0.883 175.419 176.300 0.003 0.000 1.097 46 D CA 0.167 54.164 54.000 -0.005 0.000 0.865 46 D CB 0.615 41.422 40.800 0.012 0.000 1.034 46 D HN 0.710 nan 8.370 nan 0.000 0.511 47 S N 2.154 117.842 115.700 -0.020 0.000 2.643 47 S HA 0.311 4.781 4.470 -0.001 0.000 0.270 47 S C 0.367 174.926 174.600 -0.070 0.000 1.166 47 S CA -0.809 57.380 58.200 -0.018 0.000 0.815 47 S CB 1.222 64.418 63.200 -0.007 0.000 1.139 47 S HN 0.107 nan 8.310 nan 0.000 0.472 48 D N 1.107 121.460 120.400 -0.079 0.000 2.123 48 D HA -0.082 4.558 4.640 -0.001 0.000 0.196 48 D C 1.019 177.209 176.300 -0.184 0.000 0.992 48 D CA 1.624 55.524 54.000 -0.167 0.000 0.833 48 D CB -0.447 40.318 40.800 -0.060 0.000 0.954 48 D HN 0.612 nan 8.370 nan 0.000 0.455 49 D N -0.001 120.363 120.400 -0.060 0.000 2.178 49 D HA -0.089 4.551 4.640 -0.001 0.000 0.201 49 D C 2.213 178.498 176.300 -0.025 0.000 0.980 49 D CA 0.338 54.339 54.000 0.001 0.000 0.842 49 D CB -0.071 40.709 40.800 -0.033 0.000 0.948 49 D HN 0.094 nan 8.370 nan 0.000 0.472 50 V N 0.363 120.240 119.914 -0.061 0.000 2.488 50 V HA -0.117 4.003 4.120 -0.001 0.000 0.246 50 V C 2.469 178.514 176.094 -0.082 0.000 1.046 50 V CA 1.098 63.360 62.300 -0.063 0.000 1.053 50 V CB -0.338 31.450 31.823 -0.059 0.000 0.679 50 V HN 0.089 nan 8.190 nan 0.000 0.458 51 R N -0.664 119.759 120.500 -0.128 0.000 2.105 51 R HA -0.193 4.146 4.340 -0.001 0.000 0.239 51 R C 2.390 178.616 176.300 -0.123 0.000 1.135 51 R CA 1.674 57.688 56.100 -0.143 0.000 0.967 51 R CB -0.268 29.908 30.300 -0.206 0.000 0.861 51 R HN 0.571 nan 8.270 nan 0.000 0.442 52 H N -0.174 118.910 119.070 0.023 0.000 2.389 52 H HA -0.126 4.429 4.556 -0.001 0.000 0.299 52 H C 1.927 177.261 175.328 0.009 0.000 1.081 52 H CA 1.760 57.830 56.048 0.036 0.000 1.345 52 H CB -0.237 29.534 29.762 0.015 0.000 1.393 52 H HN 0.241 nan 8.280 nan 0.000 0.520 53 M N 0.724 120.368 119.600 0.074 0.000 2.132 53 M HA -0.074 4.405 4.480 -0.001 0.000 0.263 53 M C 2.086 178.379 176.300 -0.012 0.000 1.065 53 M CA 1.287 56.592 55.300 0.008 0.000 1.122 53 M CB -0.643 31.931 32.600 -0.042 0.000 1.365 53 M HN 0.114 nan 8.290 nan 0.000 0.411 54 L N -0.092 121.106 121.223 -0.043 0.000 2.042 54 L HA -0.259 4.080 4.340 -0.001 0.000 0.210 54 L C 2.029 178.980 176.870 0.135 0.000 1.076 54 L CA 1.879 56.683 54.840 -0.060 0.000 0.749 54 L CB -0.958 41.049 42.059 -0.086 0.000 0.893 54 L HN 0.481 nan 8.230 nan 0.000 0.432 55 N N -0.475 118.301 118.700 0.127 0.000 2.244 55 N HA -0.136 4.604 4.740 -0.001 0.000 0.183 55 N C 1.912 177.503 175.510 0.136 0.000 1.016 55 N CA 0.861 54.003 53.050 0.153 0.000 0.866 55 N CB -0.119 38.465 38.487 0.161 0.000 0.980 55 N HN 0.321 nan 8.380 nan 0.000 0.430 56 A N 1.370 124.257 122.820 0.112 0.000 1.898 56 A HA -0.061 4.259 4.320 -0.001 0.000 0.216 56 A C 2.135 179.763 177.584 0.073 0.000 1.181 56 A CA 0.893 52.978 52.037 0.080 0.000 0.620 56 A CB -0.643 18.385 19.000 0.048 0.000 0.819 56 A HN 0.147 nan 8.150 nan 0.000 0.442 57 L N -0.752 120.521 121.223 0.084 0.000 2.046 57 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 57 L C 2.802 179.768 176.870 0.160 0.000 1.077 57 L CA 1.801 56.704 54.840 0.106 0.000 0.747 57 L CB -1.132 40.986 42.059 0.098 0.000 0.896 57 L HN 0.336 nan 8.230 nan 0.000 0.432 58 T N 0.106 114.794 114.554 0.222 0.000 2.684 58 T HA -0.224 4.126 4.350 -0.001 0.000 0.267 58 T C 1.988 176.726 174.700 0.063 0.000 1.036 58 T CA 1.548 63.719 62.100 0.118 0.000 1.148 58 T CB -0.277 68.647 68.868 0.093 0.000 0.863 58 T HN 0.470 nan 8.240 nan 0.000 0.436 59 A N 0.843 123.705 122.820 0.070 0.000 2.019 59 A HA 0.053 4.373 4.320 -0.001 0.000 0.219 59 A C 2.121 179.730 177.584 0.042 0.000 1.164 59 A CA 1.105 53.172 52.037 0.051 0.000 0.644 59 A CB -0.706 18.328 19.000 0.058 0.000 0.805 59 A HN 0.517 nan 8.150 nan 0.000 0.449 60 L N -1.454 119.796 121.223 0.043 0.000 2.599 60 L HA 0.178 4.518 4.340 -0.001 0.000 0.230 60 L C 1.623 178.513 176.870 0.033 0.000 1.141 60 L CA 0.568 55.427 54.840 0.032 0.000 0.877 60 L CB -0.077 41.991 42.059 0.016 0.000 1.009 60 L HN 0.589 nan 8.230 nan 0.000 0.447 61 G N -0.256 108.564 108.800 0.034 0.000 2.141 61 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.231 61 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.231 61 G C 0.161 175.077 174.900 0.027 0.000 0.984 61 G CA -0.100 45.015 45.100 0.024 0.000 0.660 61 G HN 0.065 nan 8.290 nan 0.000 0.525 62 V N 1.346 121.291 119.914 0.052 0.000 2.614 62 V HA 0.534 4.654 4.120 -0.001 0.000 0.291 62 V C 0.896 177.031 176.094 0.068 0.000 1.049 62 V CA 0.199 62.545 62.300 0.078 0.000 1.038 62 V CB 1.637 33.533 31.823 0.122 0.000 0.980 62 V HN 0.347 nan 8.190 nan 0.000 0.481 63 S N 4.536 120.265 115.700 0.048 0.000 2.480 63 S HA 0.758 5.227 4.470 -0.001 0.000 0.286 63 S C -0.811 173.834 174.600 0.075 0.000 1.180 63 S CA -0.416 57.772 58.200 -0.020 0.000 1.075 63 S CB 0.661 63.852 63.200 -0.015 0.000 0.996 63 S HN 0.725 nan 8.310 nan 0.000 0.487 64 Y N -0.858 119.449 120.300 0.011 0.000 2.656 64 Y HA 0.742 5.292 4.550 -0.001 0.000 0.334 64 Y C -0.647 175.261 175.900 0.014 0.000 1.179 64 Y CA -1.318 56.791 58.100 0.014 0.000 1.050 64 Y CB 0.553 39.021 38.460 0.013 0.000 1.308 64 Y HN 0.548 nan 8.280 nan 0.000 0.456 65 T N 0.406 115.109 114.554 0.249 0.000 2.907 65 T HA 0.825 5.175 4.350 -0.001 0.000 0.292 65 T C -1.285 173.554 174.700 0.231 0.000 1.043 65 T CA -0.803 61.395 62.100 0.163 0.000 1.003 65 T CB 1.819 70.733 68.868 0.076 0.000 1.084 65 T HN 0.837 nan 8.240 nan 0.000 0.483 66 L N 2.237 123.565 121.223 0.175 0.000 2.362 66 L HA 0.611 4.951 4.340 -0.001 0.000 0.271 66 L C 0.800 177.717 176.870 0.079 0.000 1.002 66 L CA -1.083 53.836 54.840 0.131 0.000 0.818 66 L CB 2.476 44.621 42.059 0.142 0.000 1.298 66 L HN 1.043 nan 8.230 nan 0.000 0.420 67 S N 1.092 116.827 115.700 0.059 0.000 2.617 67 S HA 0.300 4.769 4.470 -0.001 0.000 0.259 67 S C 1.230 175.853 174.600 0.038 0.000 1.301 67 S CA -0.015 58.211 58.200 0.042 0.000 0.984 67 S CB 1.321 64.542 63.200 0.034 0.000 0.954 67 S HN 0.729 nan 8.310 nan 0.000 0.572 68 A N 1.141 123.979 122.820 0.030 0.000 1.917 68 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 68 A C 1.645 179.245 177.584 0.027 0.000 1.182 68 A CA 1.969 54.022 52.037 0.026 0.000 0.633 68 A CB -1.236 17.777 19.000 0.021 0.000 0.819 68 A HN 0.986 nan 8.150 nan 0.000 0.448 69 D N -2.292 118.123 120.400 0.025 0.000 2.328 69 D HA 0.066 4.706 4.640 -0.001 0.000 0.221 69 D C 0.701 177.016 176.300 0.025 0.000 1.072 69 D CA 0.022 54.037 54.000 0.025 0.000 0.850 69 D CB -0.490 40.323 40.800 0.022 0.000 0.922 69 D HN 0.475 nan 8.370 nan 0.000 0.516 70 R N -1.330 119.188 120.500 0.029 0.000 3.953 70 R HA -0.177 4.163 4.340 -0.001 0.000 0.340 70 R C 0.746 177.056 176.300 0.018 0.000 1.195 70 R CA 1.372 57.489 56.100 0.029 0.000 0.929 70 R CB -3.011 27.304 30.300 0.026 0.000 1.402 70 R HN 0.518 nan 8.270 nan 0.000 0.540 71 T N -3.070 111.494 114.554 0.018 0.000 3.040 71 T HA 0.133 4.482 4.350 -0.001 0.000 0.250 71 T C 0.631 175.341 174.700 0.017 0.000 1.058 71 T CA -0.155 61.952 62.100 0.012 0.000 0.988 71 T CB 0.375 69.248 68.868 0.008 0.000 0.993 71 T HN 0.300 nan 8.240 nan 0.000 0.519 72 R N 0.019 120.535 120.500 0.025 0.000 2.437 72 R HA 0.646 4.985 4.340 -0.001 0.000 0.310 72 R C -1.820 174.506 176.300 0.043 0.000 0.955 72 R CA -0.705 55.415 56.100 0.033 0.000 0.851 72 R CB 1.449 31.769 30.300 0.033 0.000 1.161 72 R HN 0.297 nan 8.270 nan 0.000 0.446 73 C N 4.134 123.461 119.300 0.044 0.000 2.431 73 C HA 0.458 4.918 4.460 -0.001 0.000 0.321 73 C C -0.877 174.155 174.990 0.071 0.000 1.202 73 C CA -0.449 58.599 59.018 0.050 0.000 1.398 73 C CB 1.329 29.056 27.740 -0.022 0.000 2.047 73 C HN 0.878 nan 8.230 nan 0.000 0.465 74 E N 5.075 125.338 120.200 0.104 0.000 2.114 74 E HA 0.443 4.792 4.350 -0.001 0.000 0.266 74 E C -1.047 175.636 176.600 0.138 0.000 0.896 74 E CA -0.263 56.198 56.400 0.102 0.000 0.750 74 E CB 1.334 31.086 29.700 0.086 0.000 1.121 74 E HN 0.574 nan 8.360 nan 0.000 0.413 75 I N 3.638 124.279 120.570 0.118 0.000 2.377 75 I HA 0.184 4.354 4.170 -0.001 0.000 0.293 75 I C -0.152 176.031 176.117 0.109 0.000 0.987 75 I CA -0.600 60.781 61.300 0.134 0.000 1.185 75 I CB 1.040 39.088 38.000 0.081 0.000 1.341 75 I HN 0.380 nan 8.210 nan 0.000 0.455 76 I N 5.550 126.184 120.570 0.107 0.000 2.301 76 I HA 0.255 4.425 4.170 -0.001 0.000 0.292 76 I C 1.056 177.209 176.117 0.060 0.000 1.046 76 I CA -0.055 61.290 61.300 0.074 0.000 1.282 76 I CB 0.244 38.279 38.000 0.058 0.000 1.409 76 I HN 0.672 nan 8.210 nan 0.000 0.484 77 G N 4.338 113.170 108.800 0.053 0.000 2.491 77 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.238 77 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.238 77 G C 0.771 175.657 174.900 -0.025 0.000 1.277 77 G CA -0.218 44.895 45.100 0.023 0.000 0.851 77 G HN 0.715 nan 8.290 nan 0.000 0.573 78 N N 0.343 119.011 118.700 -0.052 0.000 2.457 78 N HA 0.061 4.801 4.740 -0.001 0.000 0.180 78 N C 1.823 177.229 175.510 -0.173 0.000 1.050 78 N CA 1.431 54.439 53.050 -0.071 0.000 0.906 78 N CB -0.050 38.408 38.487 -0.048 0.000 0.968 78 N HN 1.060 nan 8.380 nan 0.000 0.445 79 G N -1.296 107.292 108.800 -0.353 0.000 2.246 79 G HA2 0.042 4.002 3.960 -0.001 0.000 0.273 79 G HA3 0.042 4.002 3.960 -0.001 0.000 0.273 79 G C 0.350 174.952 174.900 -0.497 0.000 1.055 79 G CA 0.567 45.087 45.100 -0.967 0.000 0.851 79 G HN 0.881 nan 8.290 nan 0.000 0.500 80 G N -1.829 106.856 108.800 -0.191 0.000 2.369 80 G HA2 0.501 4.461 3.960 -0.001 0.000 0.307 80 G HA3 0.501 4.461 3.960 -0.001 0.000 0.307 80 G C -3.018 171.876 174.900 -0.011 0.000 1.327 80 G CA -0.106 44.988 45.100 -0.010 0.000 0.963 80 G HN 0.495 nan 8.290 nan 0.000 0.590 81 P HA 0.277 nan 4.420 nan 0.000 0.264 81 P C 0.227 177.355 177.300 -0.286 0.000 1.179 81 P CA 0.028 63.055 63.100 -0.121 0.000 0.763 81 P CB 0.338 31.985 31.700 -0.088 0.000 0.806 82 L N 4.018 125.042 121.223 -0.332 0.000 2.395 82 L HA 0.338 4.678 4.340 -0.001 0.000 0.269 82 L C 0.766 177.298 176.870 -0.563 0.000 1.133 82 L CA -0.153 54.510 54.840 -0.295 0.000 0.812 82 L CB 0.261 42.227 42.059 -0.157 0.000 1.125 82 L HN 0.473 nan 8.230 nan 0.000 0.452 83 H N 1.292 120.366 119.070 0.006 0.000 2.851 83 H HA 0.806 5.362 4.556 -0.001 0.000 0.372 83 H C -0.962 174.371 175.328 0.009 0.000 1.158 83 H CA -0.711 55.342 56.048 0.008 0.000 1.159 83 H CB 2.266 32.033 29.762 0.009 0.000 1.757 83 H HN 0.715 nan 8.280 nan 0.000 0.546 84 A N 1.916 124.826 122.820 0.150 0.000 2.608 84 A HA 0.597 4.917 4.320 -0.001 0.000 0.292 84 A C -1.112 176.516 177.584 0.073 0.000 1.066 84 A CA -0.725 51.364 52.037 0.086 0.000 0.676 84 A CB 2.055 21.087 19.000 0.053 0.000 1.277 84 A HN 0.606 nan 8.150 nan 0.000 0.413 85 E N -0.762 119.467 120.200 0.049 0.000 2.447 85 E HA 0.715 5.064 4.350 -0.001 0.000 0.258 85 E C 0.570 177.186 176.600 0.027 0.000 0.916 85 E CA -0.036 56.385 56.400 0.035 0.000 0.846 85 E CB 0.899 30.613 29.700 0.024 0.000 1.517 85 E HN 2.125 nan 8.360 nan 0.000 0.418 86 G N 0.093 108.906 108.800 0.021 0.000 2.160 86 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.251 86 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.251 86 G C 0.653 175.565 174.900 0.019 0.000 1.008 86 G CA 0.536 45.647 45.100 0.018 0.000 0.724 86 G HN 1.544 nan 8.290 nan 0.000 0.514 87 A N -2.480 120.352 122.820 0.020 0.000 2.745 87 A HA -0.045 4.275 4.320 -0.001 0.000 0.296 87 A C 0.993 178.591 177.584 0.023 0.000 1.500 87 A CA 1.552 53.601 52.037 0.020 0.000 0.766 87 A CB -1.621 17.390 19.000 0.017 0.000 1.030 87 A HN 2.282 nan 8.150 nan 0.000 0.489 88 L N 0.366 121.605 121.223 0.026 0.000 2.601 88 L HA 0.263 4.603 4.340 -0.001 0.000 0.277 88 L C 0.653 177.543 176.870 0.034 0.000 1.219 88 L CA 1.313 56.171 54.840 0.030 0.000 0.915 88 L CB 0.314 42.392 42.059 0.032 0.000 1.160 88 L HN 0.485 nan 8.230 nan 0.000 0.494 89 E N 5.479 125.704 120.200 0.042 0.000 2.200 89 E HA 0.361 4.711 4.350 -0.001 0.000 0.283 89 E C -1.372 175.272 176.600 0.072 0.000 1.015 89 E CA -0.582 55.852 56.400 0.055 0.000 0.819 89 E CB 0.669 30.410 29.700 0.067 0.000 1.081 89 E HN 0.676 nan 8.360 nan 0.000 0.397 90 L N 5.670 126.931 121.223 0.063 0.000 2.287 90 L HA 0.397 4.737 4.340 -0.001 0.000 0.287 90 L C -0.499 176.419 176.870 0.081 0.000 1.022 90 L CA -0.903 53.981 54.840 0.074 0.000 0.814 90 L CB 0.871 42.950 42.059 0.033 0.000 1.217 90 L HN 0.566 nan 8.230 nan 0.000 0.420 91 F N 4.719 124.657 119.950 -0.020 0.000 2.405 91 F HA 0.391 4.918 4.527 -0.001 0.000 0.355 91 F C 0.295 176.009 175.800 -0.143 0.000 1.121 91 F CA -0.338 57.621 58.000 -0.068 0.000 1.112 91 F CB 0.767 39.737 39.000 -0.050 0.000 1.126 91 F HN 0.343 nan 8.300 nan 0.000 0.481 92 L N 6.737 127.513 121.223 -0.744 0.000 2.965 92 L HA 0.330 4.670 4.340 -0.001 0.000 0.254 92 L C 1.307 177.654 176.870 -0.871 0.000 1.220 92 L CA 0.144 54.642 54.840 -0.570 0.000 1.023 92 L CB -0.539 41.351 42.059 -0.282 0.000 1.355 92 L HN 1.025 nan 8.230 nan 0.000 0.545 93 G N 1.893 109.818 108.800 -1.457 0.000 2.622 93 G HA2 -0.429 3.530 3.960 -0.001 0.000 0.307 93 G HA3 -0.429 3.530 3.960 -0.001 0.000 0.307 93 G C 0.455 175.086 174.900 -0.449 0.000 1.226 93 G CA 0.746 45.317 45.100 -0.882 0.000 0.997 93 G HN 0.449 nan 8.290 nan 0.000 0.551 94 N N 1.259 119.844 118.700 -0.191 0.000 2.497 94 N HA 0.547 5.287 4.740 -0.001 0.000 0.284 94 N C 0.211 175.671 175.510 -0.084 0.000 1.459 94 N CA 0.869 53.846 53.050 -0.121 0.000 0.899 94 N CB 0.177 38.631 38.487 -0.056 0.000 1.316 94 N HN 1.050 nan 8.380 nan 0.000 0.500 95 A N -0.329 122.437 122.820 -0.090 0.000 2.527 95 A HA 0.541 4.861 4.320 -0.001 0.000 0.313 95 A C 1.488 179.034 177.584 -0.063 0.000 1.410 95 A CA -0.153 51.854 52.037 -0.050 0.000 1.060 95 A CB -0.237 18.768 19.000 0.007 0.000 1.137 95 A HN 0.335 nan 8.150 nan 0.000 0.542 96 G N 1.572 110.335 108.800 -0.062 0.000 2.432 96 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.219 96 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.219 96 G C 1.441 176.303 174.900 -0.063 0.000 1.135 96 G CA 1.595 46.659 45.100 -0.059 0.000 0.767 96 G HN 0.881 nan 8.290 nan 0.000 0.550 97 T N -1.904 112.609 114.554 -0.069 0.000 3.113 97 T HA 0.453 4.803 4.350 -0.001 0.000 0.263 97 T C 2.075 176.740 174.700 -0.058 0.000 1.143 97 T CA 1.339 63.398 62.100 -0.067 0.000 1.090 97 T CB 0.202 69.033 68.868 -0.061 0.000 0.922 97 T HN 0.300 nan 8.240 nan 0.000 0.521 98 A N 1.016 123.806 122.820 -0.051 0.000 1.944 98 A HA 0.456 4.776 4.320 -0.001 0.000 0.207 98 A C 2.110 179.662 177.584 -0.053 0.000 1.265 98 A CA 0.743 52.751 52.037 -0.049 0.000 0.712 98 A CB -0.558 18.425 19.000 -0.028 0.000 0.915 98 A HN 0.400 nan 8.150 nan 0.000 0.470 99 M N 0.098 119.665 119.600 -0.056 0.000 2.065 99 M HA -0.122 4.358 4.480 -0.001 0.000 0.259 99 M C 1.945 178.233 176.300 -0.020 0.000 1.069 99 M CA 1.841 57.112 55.300 -0.048 0.000 1.110 99 M CB -0.419 32.151 32.600 -0.050 0.000 1.328 99 M HN 0.271 nan 8.290 nan 0.000 0.405 100 R N -0.353 120.149 120.500 0.003 0.000 2.066 100 R HA 0.014 4.353 4.340 -0.001 0.000 0.232 100 R C -0.555 175.744 176.300 -0.002 0.000 1.131 100 R CA 1.797 57.926 56.100 0.048 0.000 0.955 100 R CB -2.196 28.163 30.300 0.098 0.000 0.851 100 R HN 0.331 nan 8.270 nan 0.000 0.432 101 P HA -0.100 nan 4.420 nan 0.000 0.216 101 P C 0.882 178.134 177.300 -0.080 0.000 1.153 101 P CA 1.151 64.211 63.100 -0.067 0.000 0.848 101 P CB 0.071 31.720 31.700 -0.085 0.000 0.787 102 L N -1.283 119.897 121.223 -0.071 0.000 2.141 102 L HA -0.107 4.233 4.340 -0.001 0.000 0.209 102 L C 2.425 179.251 176.870 -0.073 0.000 1.094 102 L CA 1.199 55.994 54.840 -0.074 0.000 0.763 102 L CB -1.067 40.955 42.059 -0.062 0.000 0.908 102 L HN -0.052 nan 8.230 nan 0.000 0.437 103 A N 0.174 122.956 122.820 -0.063 0.000 1.940 103 A HA -0.187 4.132 4.320 -0.001 0.000 0.219 103 A C 2.496 180.023 177.584 -0.094 0.000 1.176 103 A CA 1.902 53.898 52.037 -0.069 0.000 0.631 103 A CB -0.552 18.414 19.000 -0.055 0.000 0.814 103 A HN 0.409 nan 8.150 nan 0.000 0.446 104 A N -0.447 122.305 122.820 -0.113 0.000 1.874 104 A HA 0.330 4.650 4.320 -0.001 0.000 0.214 104 A C 2.506 179.978 177.584 -0.187 0.000 1.189 104 A CA 1.649 53.576 52.037 -0.184 0.000 0.615 104 A CB -1.034 17.843 19.000 -0.205 0.000 0.830 104 A HN 1.014 nan 8.150 nan 0.000 0.443 105 A N -0.077 122.658 122.820 -0.141 0.000 1.933 105 A HA -0.028 4.292 4.320 -0.001 0.000 0.218 105 A C 1.935 179.457 177.584 -0.103 0.000 1.175 105 A CA 1.427 53.391 52.037 -0.121 0.000 0.628 105 A CB -0.636 18.300 19.000 -0.107 0.000 0.814 105 A HN 0.461 nan 8.150 nan 0.000 0.444 106 L N -0.684 120.483 121.223 -0.093 0.000 2.610 106 L HA -0.083 4.257 4.340 -0.001 0.000 0.232 106 L C 1.498 178.347 176.870 -0.036 0.000 1.149 106 L CA -0.125 54.668 54.840 -0.078 0.000 0.872 106 L CB -0.417 41.604 42.059 -0.063 0.000 0.992 106 L HN 0.432 nan 8.230 nan 0.000 0.447 107 C N -0.109 119.170 119.300 -0.035 0.000 2.576 107 C HA 0.142 4.601 4.460 -0.001 0.000 0.267 107 C C 1.346 176.398 174.990 0.105 0.000 1.364 107 C CA -0.610 58.426 59.018 0.030 0.000 1.723 107 C CB -1.046 26.710 27.740 0.027 0.000 1.778 107 C HN 0.248 nan 8.230 nan 0.000 0.572 108 L N 1.346 122.612 121.223 0.072 0.000 2.360 108 L HA 0.490 4.830 4.340 -0.001 0.000 0.276 108 L C 1.204 178.183 176.870 0.182 0.000 1.121 108 L CA 1.021 55.940 54.840 0.132 0.000 0.845 108 L CB -0.090 42.017 42.059 0.080 0.000 1.143 108 L HN 0.545 nan 8.230 nan 0.000 0.452 109 G N 2.984 111.896 108.800 0.187 0.000 2.562 109 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.250 109 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.250 109 G C -0.198 174.795 174.900 0.155 0.000 1.269 109 G CA -0.137 45.078 45.100 0.192 0.000 0.919 109 G HN 0.880 nan 8.290 nan 0.000 0.574 110 S N 0.376 116.142 115.700 0.110 0.000 2.651 110 S HA 0.833 5.303 4.470 -0.001 0.000 0.291 110 S C -0.143 174.544 174.600 0.145 0.000 1.141 110 S CA -0.042 58.200 58.200 0.069 0.000 1.027 110 S CB 2.256 65.453 63.200 -0.005 0.000 1.043 110 S HN 1.217 nan 8.310 nan 0.000 0.530 111 N N -0.151 118.613 118.700 0.107 0.000 3.348 111 N HA 0.389 5.129 4.740 -0.001 0.000 0.233 111 N C -2.559 172.986 175.510 0.059 0.000 1.440 111 N CA -0.357 52.764 53.050 0.119 0.000 0.887 111 N CB 2.015 40.578 38.487 0.127 0.000 1.410 111 N HN 0.799 nan 8.380 nan 0.000 0.502 112 D N 1.322 121.751 120.400 0.049 0.000 2.337 112 D HA 0.487 5.127 4.640 -0.001 0.000 0.238 112 D C -1.290 175.026 176.300 0.026 0.000 1.331 112 D CA 0.001 54.018 54.000 0.028 0.000 0.967 112 D CB 0.076 40.889 40.800 0.022 0.000 1.382 112 D HN 0.453 nan 8.370 nan 0.000 0.549 113 I N 1.708 122.288 120.570 0.018 0.000 2.647 113 I HA 0.437 4.607 4.170 -0.001 0.000 0.295 113 I C -0.457 175.663 176.117 0.004 0.000 1.078 113 I CA -1.138 60.170 61.300 0.014 0.000 1.048 113 I CB 2.657 40.663 38.000 0.010 0.000 1.239 113 I HN -0.044 nan 8.210 nan 0.000 0.421 114 V N 6.314 126.234 119.914 0.010 0.000 2.459 114 V HA 0.460 4.580 4.120 -0.001 0.000 0.295 114 V C -0.205 175.892 176.094 0.004 0.000 1.029 114 V CA -0.564 61.740 62.300 0.007 0.000 0.874 114 V CB 1.826 33.661 31.823 0.020 0.000 0.985 114 V HN 0.420 nan 8.190 nan 0.000 0.438 115 L N 4.504 125.721 121.223 -0.011 0.000 2.296 115 L HA 0.711 5.051 4.340 -0.001 0.000 0.286 115 L C 0.141 176.990 176.870 -0.035 0.000 1.023 115 L CA 0.093 54.916 54.840 -0.028 0.000 0.812 115 L CB 1.773 43.806 42.059 -0.042 0.000 1.223 115 L HN 0.725 nan 8.230 nan 0.000 0.421 116 T N 1.275 115.788 114.554 -0.068 0.000 2.654 116 T HA 0.904 5.254 4.350 -0.001 0.000 0.289 116 T C -0.441 174.068 174.700 -0.319 0.000 1.062 116 T CA 0.100 62.143 62.100 -0.095 0.000 1.041 116 T CB 2.188 71.062 68.868 0.010 0.000 1.417 116 T HN 0.834 nan 8.240 nan 0.000 0.510 117 G N -0.043 108.522 108.800 -0.392 0.000 2.500 117 G HA2 0.478 4.438 3.960 -0.001 0.000 0.299 117 G HA3 0.478 4.438 3.960 -0.001 0.000 0.299 117 G C -1.455 173.187 174.900 -0.430 0.000 1.242 117 G CA -0.676 43.909 45.100 -0.858 0.000 0.859 117 G HN 0.750 nan 8.290 nan 0.000 0.481 118 E N 0.651 120.649 120.200 -0.336 0.000 2.409 118 E HA 0.191 4.541 4.350 -0.001 0.000 0.257 118 E C -1.470 175.127 176.600 -0.005 0.000 1.150 118 E CA -1.224 55.178 56.400 0.004 0.000 0.942 118 E CB 1.144 30.860 29.700 0.026 0.000 0.979 118 E HN 0.076 nan 8.360 nan 0.000 0.447 119 P HA -0.219 nan 4.420 nan 0.000 0.216 119 P C 1.188 178.480 177.300 -0.013 0.000 1.153 119 P CA 1.364 64.470 63.100 0.010 0.000 0.858 119 P CB 0.170 31.879 31.700 0.016 0.000 0.789 120 R N -0.566 119.929 120.500 -0.008 0.000 2.120 120 R HA -0.107 4.233 4.340 -0.001 0.000 0.234 120 R C 2.050 178.340 176.300 -0.016 0.000 1.123 120 R CA 1.501 57.594 56.100 -0.011 0.000 0.975 120 R CB -1.514 28.789 30.300 0.005 0.000 0.866 120 R HN 0.071 nan 8.270 nan 0.000 0.446 121 M N 0.633 120.214 119.600 -0.032 0.000 2.296 121 M HA -0.041 4.439 4.480 -0.001 0.000 0.265 121 M C 1.025 177.333 176.300 0.013 0.000 1.064 121 M CA 1.748 57.030 55.300 -0.030 0.000 1.109 121 M CB 0.002 32.539 32.600 -0.105 0.000 1.396 121 M HN 0.042 nan 8.290 nan 0.000 0.430 122 K N -0.121 120.277 120.400 -0.004 0.000 2.555 122 K HA -0.043 4.277 4.320 -0.001 0.000 0.193 122 K C 0.712 177.285 176.600 -0.044 0.000 1.032 122 K CA 0.765 57.062 56.287 0.017 0.000 1.004 122 K CB -0.041 32.455 32.500 -0.006 0.000 0.804 122 K HN 0.544 nan 8.250 nan 0.000 0.496 123 E N 0.287 120.450 120.200 -0.061 0.000 2.562 123 E HA 0.087 4.436 4.350 -0.001 0.000 0.214 123 E C -0.299 176.331 176.600 0.050 0.000 0.979 123 E CA -0.142 56.138 56.400 -0.200 0.000 1.002 123 E CB 0.724 30.332 29.700 -0.154 0.000 1.048 123 E HN 0.085 nan 8.360 nan 0.000 0.488 124 R N 2.618 123.249 120.500 0.219 0.000 2.294 124 R HA 0.259 4.599 4.340 -0.001 0.000 0.319 124 R C -2.457 174.044 176.300 0.334 0.000 0.984 124 R CA -2.049 54.194 56.100 0.238 0.000 0.861 124 R CB 0.924 31.292 30.300 0.113 0.000 1.104 124 R HN -0.045 nan 8.270 nan 0.000 0.451 125 P HA -0.003 nan 4.420 nan 0.000 0.268 125 P C -0.195 177.090 177.300 -0.026 0.000 1.205 125 P CA 0.341 63.376 63.100 -0.109 0.000 0.771 125 P CB 1.048 32.690 31.700 -0.097 0.000 0.858 126 I N 0.899 121.302 120.570 -0.278 0.000 4.453 126 I HA 0.198 4.367 4.170 -0.001 0.000 0.342 126 I C 1.735 177.569 176.117 -0.472 0.000 1.341 126 I CA 0.071 61.187 61.300 -0.305 0.000 1.217 126 I CB 0.154 38.118 38.000 -0.061 0.000 1.545 126 I HN 0.395 nan 8.210 nan 0.000 0.557 127 G N 0.128 108.660 108.800 -0.448 0.000 2.450 127 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.220 127 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.220 127 G C 1.179 175.940 174.900 -0.231 0.000 1.130 127 G CA 1.298 46.249 45.100 -0.248 0.000 0.760 127 G HN 0.555 nan 8.290 nan 0.000 0.557 128 H N -0.935 117.827 119.070 -0.514 0.000 2.387 128 H HA -0.013 4.542 4.556 -0.000 0.000 0.299 128 H C 2.407 177.466 175.328 -0.450 0.000 1.090 128 H CA 0.733 56.529 56.048 -0.420 0.000 1.332 128 H CB 0.127 29.700 29.762 -0.315 0.000 1.386 128 H HN 0.316 nan 8.280 nan 0.000 0.516 129 L N 0.538 121.362 121.223 -0.666 0.000 2.044 129 L HA -0.101 4.239 4.340 -0.001 0.000 0.205 129 L C 2.183 178.948 176.870 -0.175 0.000 1.075 129 L CA 1.085 55.716 54.840 -0.349 0.000 0.747 129 L CB -0.482 41.365 42.059 -0.353 0.000 0.903 129 L HN 0.026 nan 8.230 nan 0.000 0.435 130 V N 0.220 120.027 119.914 -0.179 0.000 2.332 130 V HA -0.303 3.816 4.120 -0.001 0.000 0.248 130 V C 2.317 178.384 176.094 -0.045 0.000 1.055 130 V CA 1.992 64.225 62.300 -0.111 0.000 1.038 130 V CB -0.836 30.918 31.823 -0.115 0.000 0.651 130 V HN 0.460 nan 8.190 nan 0.000 0.450 131 D N 0.391 120.780 120.400 -0.018 0.000 2.104 131 D HA -0.150 4.489 4.640 -0.001 0.000 0.194 131 D C 2.229 178.547 176.300 0.029 0.000 0.994 131 D CA 1.766 55.777 54.000 0.018 0.000 0.830 131 D CB -0.383 40.435 40.800 0.030 0.000 0.959 131 D HN 0.454 nan 8.370 nan 0.000 0.452 132 A N 0.613 123.449 122.820 0.026 0.000 1.877 132 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 132 A C 2.434 180.101 177.584 0.139 0.000 1.186 132 A CA 0.929 53.009 52.037 0.072 0.000 0.620 132 A CB -0.835 18.203 19.000 0.064 0.000 0.822 132 A HN 0.203 nan 8.150 nan 0.000 0.443 133 L N -1.074 120.208 121.223 0.099 0.000 2.079 133 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 133 L C 2.859 179.867 176.870 0.231 0.000 1.081 133 L CA 1.562 56.520 54.840 0.197 0.000 0.752 133 L CB -0.440 41.637 42.059 0.030 0.000 0.896 133 L HN 0.344 nan 8.230 nan 0.000 0.433 134 R N -0.157 120.402 120.500 0.098 0.000 2.092 134 R HA -0.107 4.233 4.340 -0.001 0.000 0.231 134 R C 2.286 178.618 176.300 0.054 0.000 1.119 134 R CA 1.059 57.195 56.100 0.060 0.000 0.970 134 R CB -0.355 29.958 30.300 0.022 0.000 0.864 134 R HN 0.305 nan 8.270 nan 0.000 0.440 135 L N -0.447 120.814 121.223 0.063 0.000 2.187 135 L HA -0.111 4.229 4.340 -0.001 0.000 0.213 135 L C 2.133 179.000 176.870 -0.005 0.000 1.100 135 L CA 1.221 56.082 54.840 0.035 0.000 0.765 135 L CB -0.390 41.698 42.059 0.048 0.000 0.904 135 L HN 0.361 nan 8.230 nan 0.000 0.437 136 G N -1.808 107.000 108.800 0.014 0.000 2.985 136 G HA2 0.304 4.264 3.960 -0.001 0.000 0.209 136 G HA3 0.304 4.264 3.960 -0.001 0.000 0.209 136 G C 1.152 175.827 174.900 -0.376 0.000 1.165 136 G CA 0.525 45.444 45.100 -0.301 0.000 0.776 136 G HN 0.500 nan 8.290 nan 0.000 0.541 137 G N -1.291 107.442 108.800 -0.111 0.000 2.231 137 G HA2 0.141 4.101 3.960 -0.001 0.000 0.206 137 G HA3 0.141 4.101 3.960 -0.001 0.000 0.206 137 G C 0.613 175.522 174.900 0.014 0.000 0.996 137 G CA 0.083 45.139 45.100 -0.074 0.000 0.645 137 G HN 1.239 nan 8.290 nan 0.000 0.498 138 A N 0.057 122.941 122.820 0.106 0.000 2.445 138 A HA 0.625 4.945 4.320 -0.001 0.000 0.242 138 A C 0.419 178.026 177.584 0.037 0.000 1.075 138 A CA 1.011 53.113 52.037 0.108 0.000 0.777 138 A CB 0.611 19.707 19.000 0.161 0.000 1.013 138 A HN 0.825 nan 8.150 nan 0.000 0.493 139 K N 1.944 122.355 120.400 0.018 0.000 2.263 139 K HA 0.637 4.957 4.320 -0.001 0.000 0.272 139 K C -1.358 175.218 176.600 -0.040 0.000 1.033 139 K CA 0.060 56.340 56.287 -0.011 0.000 0.884 139 K CB 0.028 32.525 32.500 -0.004 0.000 1.107 139 K HN 0.513 nan 8.250 nan 0.000 0.460 140 I N 3.319 123.837 120.570 -0.086 0.000 2.569 140 I HA 0.294 4.464 4.170 -0.001 0.000 0.290 140 I C -0.685 175.299 176.117 -0.222 0.000 1.088 140 I CA -0.736 60.466 61.300 -0.162 0.000 1.047 140 I CB 2.701 40.566 38.000 -0.225 0.000 1.237 140 I HN 0.504 nan 8.210 nan 0.000 0.421 141 T N 4.422 118.853 114.554 -0.205 0.000 2.807 141 T HA 0.472 4.822 4.350 -0.001 0.000 0.279 141 T C -0.869 173.713 174.700 -0.196 0.000 0.993 141 T CA -0.447 61.553 62.100 -0.166 0.000 0.970 141 T CB 0.746 69.582 68.868 -0.052 0.000 0.950 141 T HN 0.122 nan 8.240 nan 0.000 0.441 142 Y N 2.718 123.019 120.300 0.001 0.000 2.365 142 Y HA 0.267 4.817 4.550 -0.001 0.000 0.340 142 Y C 1.278 177.187 175.900 0.016 0.000 1.016 142 Y CA -0.787 57.318 58.100 0.008 0.000 1.196 142 Y CB 0.379 38.846 38.460 0.012 0.000 1.167 142 Y HN 0.559 nan 8.280 nan 0.000 0.509 143 L N 1.588 122.906 121.223 0.159 0.000 2.446 143 L HA 0.054 4.394 4.340 -0.001 0.000 0.219 143 L C 1.019 177.946 176.870 0.095 0.000 1.116 143 L CA 0.920 55.819 54.840 0.099 0.000 0.844 143 L CB 0.134 42.232 42.059 0.065 0.000 0.970 143 L HN 0.712 nan 8.230 nan 0.000 0.457 144 E N -1.073 119.197 120.200 0.117 0.000 4.072 144 E HA 0.110 4.460 4.350 -0.001 0.000 0.247 144 E C -0.331 176.314 176.600 0.075 0.000 1.033 144 E CA -0.628 55.819 56.400 0.078 0.000 1.019 144 E CB 0.308 30.043 29.700 0.059 0.000 2.662 144 E HN -0.100 nan 8.360 nan 0.000 0.514 145 Q N 2.047 121.885 119.800 0.063 0.000 2.304 145 Q HA 0.069 4.409 4.340 -0.001 0.000 0.260 145 Q C -0.985 175.004 176.000 -0.018 0.000 0.965 145 Q CA 0.084 55.913 55.803 0.043 0.000 0.898 145 Q CB 1.087 29.835 28.738 0.018 0.000 1.196 145 Q HN 0.112 nan 8.270 nan 0.000 0.402 146 E N 3.440 123.541 120.200 -0.165 0.000 2.452 146 E HA -0.071 4.279 4.350 -0.001 0.000 0.261 146 E C -0.384 175.779 176.600 -0.728 0.000 0.987 146 E CA 0.877 56.904 56.400 -0.622 0.000 0.926 146 E CB 0.159 29.664 29.700 -0.325 0.000 0.934 146 E HN 0.741 nan 8.360 nan 0.000 0.452 147 N N 1.484 119.232 118.700 -1.587 0.000 2.979 147 N HA -0.220 4.519 4.740 -0.001 0.000 0.234 147 N C -1.319 173.621 175.510 -0.951 0.000 0.938 147 N CA 1.127 53.570 53.050 -1.012 0.000 0.961 147 N CB -1.574 36.447 38.487 -0.775 0.000 1.089 147 N HN 0.421 nan 8.380 nan 0.000 0.576 148 Y N -0.588 119.593 120.300 -0.199 0.000 2.581 148 Y HA 0.560 5.110 4.550 -0.000 0.000 0.345 148 Y C -2.231 173.743 175.900 0.123 0.000 1.036 148 Y CA -1.984 56.115 58.100 -0.001 0.000 1.042 148 Y CB 1.453 39.885 38.460 -0.046 0.000 1.289 148 Y HN -0.257 nan 8.280 nan 0.000 0.471 149 P HA 0.096 nan 4.420 nan 0.000 0.272 149 P C -2.605 174.780 177.300 0.142 0.000 1.240 149 P CA -1.039 62.147 63.100 0.144 0.000 0.791 149 P CB 0.049 31.786 31.700 0.061 0.000 0.978 150 P HA 0.235 nan 4.420 nan 0.000 0.277 150 P C -0.999 176.348 177.300 0.078 0.000 1.240 150 P CA 0.181 63.321 63.100 0.067 0.000 0.798 150 P CB 0.793 32.522 31.700 0.047 0.000 0.979 151 L N 1.602 122.837 121.223 0.020 0.000 2.362 151 L HA 0.579 4.919 4.340 -0.001 0.000 0.271 151 L C 0.692 177.539 176.870 -0.039 0.000 1.002 151 L CA -0.920 53.897 54.840 -0.038 0.000 0.818 151 L CB 2.392 44.400 42.059 -0.086 0.000 1.298 151 L HN 0.335 nan 8.230 nan 0.000 0.420 152 R N 2.878 123.344 120.500 -0.056 0.000 2.265 152 R HA 0.612 4.951 4.340 -0.001 0.000 0.328 152 R C -1.457 174.810 176.300 -0.055 0.000 0.969 152 R CA -0.525 55.553 56.100 -0.036 0.000 0.832 152 R CB 0.860 31.148 30.300 -0.019 0.000 1.139 152 R HN 0.580 nan 8.270 nan 0.000 0.457 153 L N 4.958 126.158 121.223 -0.037 0.000 2.272 153 L HA 0.345 4.685 4.340 -0.001 0.000 0.289 153 L C 0.536 177.402 176.870 -0.008 0.000 1.032 153 L CA -0.263 54.557 54.840 -0.034 0.000 0.810 153 L CB 1.871 43.912 42.059 -0.031 0.000 1.205 153 L HN 0.673 nan 8.230 nan 0.000 0.422 154 Q N 2.426 122.224 119.800 -0.004 0.000 2.155 154 Q HA 0.313 4.653 4.340 -0.001 0.000 0.220 154 Q C 0.729 176.748 176.000 0.031 0.000 0.819 154 Q CA 0.058 55.869 55.803 0.013 0.000 1.032 154 Q CB 1.341 30.081 28.738 0.004 0.000 1.151 154 Q HN 0.962 nan 8.270 nan 0.000 0.487 155 G N -0.126 108.698 108.800 0.041 0.000 2.681 155 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.220 155 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.220 155 G C 0.476 175.421 174.900 0.075 0.000 1.353 155 G CA -0.328 44.815 45.100 0.071 0.000 0.872 155 G HN 0.698 nan 8.290 nan 0.000 0.557 156 G N -2.039 106.816 108.800 0.091 0.000 2.179 156 G HA2 0.098 4.058 3.960 -0.001 0.000 0.220 156 G HA3 0.098 4.058 3.960 -0.001 0.000 0.220 156 G C 0.474 175.422 174.900 0.081 0.000 0.990 156 G CA 0.561 45.702 45.100 0.069 0.000 0.646 156 G HN 2.032 nan 8.290 nan 0.000 0.517 157 F N 3.341 123.295 119.950 0.007 0.000 2.494 157 F HA 0.476 5.003 4.527 -0.000 0.000 0.369 157 F C 1.659 177.465 175.800 0.010 0.000 1.098 157 F CA 1.112 59.114 58.000 0.004 0.000 1.154 157 F CB 1.087 40.088 39.000 0.002 0.000 1.103 157 F HN 0.128 nan 8.300 nan 0.000 0.549 158 T N 1.821 116.091 114.554 -0.473 0.000 2.990 158 T HA 0.596 4.946 4.350 -0.001 0.000 0.250 158 T C 0.881 175.329 174.700 -0.419 0.000 1.041 158 T CA 0.213 62.133 62.100 -0.300 0.000 1.010 158 T CB -0.122 68.636 68.868 -0.183 0.000 1.003 158 T HN 1.147 nan 8.240 nan 0.000 0.499 159 G N -0.108 108.156 108.800 -0.893 0.000 2.342 159 G HA2 0.438 4.398 3.960 -0.001 0.000 0.220 159 G HA3 0.438 4.398 3.960 -0.001 0.000 0.220 159 G C 0.111 174.802 174.900 -0.349 0.000 1.243 159 G CA -0.195 44.593 45.100 -0.520 0.000 1.083 159 G HN 1.780 nan 8.290 nan 0.000 0.500 160 G N -0.949 107.765 108.800 -0.143 0.000 2.447 160 G HA2 0.230 4.190 3.960 -0.001 0.000 0.220 160 G HA3 0.230 4.190 3.960 -0.001 0.000 0.220 160 G C -0.600 174.284 174.900 -0.027 0.000 1.261 160 G CA 0.302 45.349 45.100 -0.087 0.000 1.000 160 G HN 1.621 nan 8.290 nan 0.000 0.515 161 N N 0.174 118.866 118.700 -0.014 0.000 2.408 161 N HA 0.491 5.230 4.740 -0.001 0.000 0.257 161 N C -0.486 175.045 175.510 0.035 0.000 1.064 161 N CA -0.029 53.033 53.050 0.020 0.000 0.952 161 N CB 1.703 40.199 38.487 0.015 0.000 1.093 161 N HN 0.563 nan 8.380 nan 0.000 0.490 162 V N 2.549 122.507 119.914 0.073 0.000 2.531 162 V HA 0.232 4.351 4.120 -0.001 0.000 0.301 162 V C -0.356 175.795 176.094 0.095 0.000 1.034 162 V CA -0.898 61.461 62.300 0.099 0.000 0.865 162 V CB 2.083 34.010 31.823 0.173 0.000 0.995 162 V HN 0.469 nan 8.190 nan 0.000 0.424 163 D N 2.543 122.987 120.400 0.075 0.000 2.193 163 D HA 0.619 5.259 4.640 -0.001 0.000 0.249 163 D C -0.663 175.678 176.300 0.068 0.000 1.034 163 D CA -0.010 54.031 54.000 0.068 0.000 0.902 163 D CB 2.501 43.327 40.800 0.043 0.000 1.182 163 D HN 0.331 nan 8.370 nan 0.000 0.436 164 V N 1.468 121.426 119.914 0.073 0.000 2.808 164 V HA 0.193 4.312 4.120 -0.001 0.000 0.308 164 V C -1.358 174.765 176.094 0.049 0.000 1.099 164 V CA -0.822 61.519 62.300 0.068 0.000 0.920 164 V CB 2.374 34.261 31.823 0.107 0.000 1.014 164 V HN 0.428 nan 8.190 nan 0.000 0.425 165 D N 3.829 124.215 120.400 -0.025 0.000 2.312 165 D HA 0.403 5.043 4.640 -0.001 0.000 0.252 165 D C 0.697 177.056 176.300 0.099 0.000 1.150 165 D CA 0.630 54.562 54.000 -0.113 0.000 0.870 165 D CB 1.928 42.334 40.800 -0.657 0.000 1.153 165 D HN 0.779 nan 8.370 nan 0.000 0.457 166 G N 1.508 110.375 108.800 0.112 0.000 3.453 166 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.263 166 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.263 166 G C 1.166 176.154 174.900 0.147 0.000 1.060 166 G CA 0.215 45.411 45.100 0.160 0.000 0.793 166 G HN 0.459 nan 8.290 nan 0.000 0.532 167 S N -0.713 115.077 115.700 0.149 0.000 2.496 167 S HA 0.068 4.538 4.470 -0.001 0.000 0.224 167 S C 1.752 176.475 174.600 0.206 0.000 0.996 167 S CA 0.863 59.151 58.200 0.147 0.000 0.927 167 S CB 0.312 63.572 63.200 0.101 0.000 0.774 167 S HN 0.024 nan 8.310 nan 0.000 0.524 168 V N -0.191 119.898 119.914 0.292 0.000 3.013 168 V HA 0.394 4.513 4.120 -0.001 0.000 0.238 168 V C 0.790 176.930 176.094 0.077 0.000 1.161 168 V CA 0.719 63.188 62.300 0.282 0.000 1.170 168 V CB 0.724 32.786 31.823 0.400 0.000 0.917 168 V HN 0.507 nan 8.190 nan 0.000 0.478 169 S N -0.740 114.892 115.700 -0.113 0.000 2.546 169 S HA 0.331 4.801 4.470 -0.001 0.000 0.272 169 S C 0.848 175.211 174.600 -0.395 0.000 1.140 169 S CA 0.170 58.095 58.200 -0.458 0.000 0.920 169 S CB 2.030 64.554 63.200 -1.125 0.000 1.083 169 S HN 0.391 nan 8.310 nan 0.000 0.476 170 S N 3.376 118.932 115.700 -0.239 0.000 2.489 170 S HA -0.034 4.435 4.470 -0.001 0.000 0.228 170 S C 1.302 175.795 174.600 -0.178 0.000 0.995 170 S CA 0.426 58.558 58.200 -0.114 0.000 0.934 170 S CB -0.351 62.852 63.200 0.004 0.000 0.771 170 S HN 0.781 nan 8.310 nan 0.000 0.522 171 Q N -0.119 119.467 119.800 -0.357 0.000 2.291 171 Q HA -0.014 4.326 4.340 -0.001 0.000 0.205 171 Q C 1.256 177.204 176.000 -0.087 0.000 0.970 171 Q CA 1.194 56.843 55.803 -0.256 0.000 0.876 171 Q CB -0.335 28.223 28.738 -0.300 0.000 0.935 171 Q HN 0.643 nan 8.270 nan 0.000 0.455 172 F N 0.246 120.190 119.950 -0.009 0.000 2.113 172 F HA -0.163 4.363 4.527 -0.001 0.000 0.297 172 F C 2.058 177.836 175.800 -0.037 0.000 1.103 172 F CA 0.488 58.482 58.000 -0.010 0.000 1.248 172 F CB -1.060 37.966 39.000 0.043 0.000 0.999 172 F HN 0.090 nan 8.300 nan 0.000 0.475 173 L N -0.049 121.252 121.223 0.131 0.000 2.046 173 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 173 L C 2.258 179.079 176.870 -0.082 0.000 1.077 173 L CA 2.074 56.909 54.840 -0.009 0.000 0.747 173 L CB -1.415 40.618 42.059 -0.044 0.000 0.896 173 L HN 0.124 nan 8.230 nan 0.000 0.432 174 T N -0.038 114.481 114.554 -0.059 0.000 2.665 174 T HA -0.234 4.115 4.350 -0.001 0.000 0.268 174 T C 1.880 176.542 174.700 -0.064 0.000 1.035 174 T CA 1.641 63.702 62.100 -0.064 0.000 1.151 174 T CB -0.525 68.319 68.868 -0.040 0.000 0.862 174 T HN 0.583 nan 8.240 nan 0.000 0.438 175 A N 0.823 123.620 122.820 -0.038 0.000 1.902 175 A HA 0.010 4.330 4.320 -0.001 0.000 0.217 175 A C 2.298 179.822 177.584 -0.100 0.000 1.181 175 A CA 1.236 53.239 52.037 -0.057 0.000 0.623 175 A CB -0.775 18.216 19.000 -0.016 0.000 0.818 175 A HN 0.500 nan 8.150 nan 0.000 0.443 176 L N -0.756 120.411 121.223 -0.094 0.000 2.046 176 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 176 L C 2.558 179.364 176.870 -0.106 0.000 1.077 176 L CA 0.977 55.734 54.840 -0.138 0.000 0.747 176 L CB -0.518 41.496 42.059 -0.075 0.000 0.896 176 L HN 0.367 nan 8.230 nan 0.000 0.432 177 L N -0.997 120.165 121.223 -0.103 0.000 2.046 177 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 177 L C 2.637 179.504 176.870 -0.004 0.000 1.077 177 L CA 1.399 56.192 54.840 -0.078 0.000 0.747 177 L CB -0.342 41.632 42.059 -0.141 0.000 0.896 177 L HN 0.318 nan 8.230 nan 0.000 0.432 178 M N -1.448 118.142 119.600 -0.018 0.000 2.319 178 M HA -0.132 4.347 4.480 -0.001 0.000 0.265 178 M C 2.102 178.456 176.300 0.090 0.000 1.068 178 M CA 1.472 56.795 55.300 0.039 0.000 1.118 178 M CB -0.416 32.140 32.600 -0.073 0.000 1.395 178 M HN 0.222 nan 8.290 nan 0.000 0.435 179 T N 0.561 115.100 114.554 -0.025 0.000 2.894 179 T HA 0.083 4.432 4.350 -0.001 0.000 0.258 179 T C 1.946 176.641 174.700 -0.009 0.000 1.043 179 T CA 1.167 63.229 62.100 -0.063 0.000 1.141 179 T CB -0.158 68.552 68.868 -0.262 0.000 0.873 179 T HN 0.438 nan 8.240 nan 0.000 0.449 180 A N 2.288 125.109 122.820 0.001 0.000 1.948 180 A HA -0.051 4.269 4.320 -0.001 0.000 0.220 180 A C 0.004 177.657 177.584 0.113 0.000 1.177 180 A CA 1.384 53.509 52.037 0.147 0.000 0.636 180 A CB -1.609 17.489 19.000 0.163 0.000 0.815 180 A HN 0.368 nan 8.150 nan 0.000 0.449 181 P HA -0.101 nan 4.420 nan 0.000 0.219 181 P C 0.857 178.125 177.300 -0.053 0.000 1.146 181 P CA 0.745 63.819 63.100 -0.043 0.000 0.808 181 P CB 0.020 31.611 31.700 -0.180 0.000 0.779 182 L N -2.095 119.123 121.223 -0.008 0.000 2.592 182 L HA 0.235 4.575 4.340 -0.001 0.000 0.227 182 L C 1.106 178.024 176.870 0.080 0.000 1.127 182 L CA -0.476 54.376 54.840 0.020 0.000 0.884 182 L CB -1.410 40.677 42.059 0.047 0.000 1.065 182 L HN -0.190 nan 8.230 nan 0.000 0.457 183 A N 0.502 123.397 122.820 0.126 0.000 2.351 183 A HA 0.445 4.765 4.320 -0.001 0.000 0.257 183 A C -1.247 176.381 177.584 0.074 0.000 1.087 183 A CA -0.812 51.322 52.037 0.161 0.000 0.798 183 A CB -0.027 19.141 19.000 0.280 0.000 1.033 183 A HN 0.089 nan 8.150 nan 0.000 0.488 184 P HA -0.039 nan 4.420 nan 0.000 0.219 184 P C 0.052 177.352 177.300 0.000 0.000 1.150 184 P CA 1.093 64.203 63.100 0.017 0.000 0.814 184 P CB 0.251 31.957 31.700 0.010 0.000 0.787 185 E N 0.580 120.769 120.200 -0.018 0.000 2.227 185 E HA 0.227 4.576 4.350 -0.001 0.000 0.268 185 E C -0.166 176.428 176.600 -0.009 0.000 0.990 185 E CA -0.760 55.624 56.400 -0.027 0.000 0.856 185 E CB 0.567 30.232 29.700 -0.058 0.000 1.159 185 E HN 0.033 nan 8.360 nan 0.000 0.401 186 D N 0.811 121.209 120.400 -0.004 0.000 2.382 186 D HA 0.212 4.852 4.640 -0.001 0.000 0.240 186 D C -0.357 175.954 176.300 0.019 0.000 1.146 186 D CA 0.445 54.454 54.000 0.015 0.000 0.897 186 D CB 0.653 41.460 40.800 0.011 0.000 1.197 186 D HN 0.118 nan 8.370 nan 0.000 0.432 187 T N 0.320 114.908 114.554 0.055 0.000 2.861 187 T HA 0.440 4.790 4.350 -0.001 0.000 0.287 187 T C -0.451 174.304 174.700 0.092 0.000 1.003 187 T CA -0.665 61.484 62.100 0.082 0.000 0.977 187 T CB 1.640 70.611 68.868 0.171 0.000 0.996 187 T HN -0.017 nan 8.240 nan 0.000 0.448 188 V N 4.342 124.307 119.914 0.086 0.000 2.378 188 V HA 0.464 4.583 4.120 -0.001 0.000 0.288 188 V C -0.304 175.865 176.094 0.125 0.000 1.016 188 V CA -0.751 61.607 62.300 0.096 0.000 0.840 188 V CB 1.143 33.003 31.823 0.062 0.000 0.994 188 V HN 0.793 nan 8.190 nan 0.000 0.431 189 I N 5.697 126.373 120.570 0.177 0.000 2.304 189 I HA 0.475 4.645 4.170 -0.001 0.000 0.291 189 I C 0.314 176.568 176.117 0.227 0.000 1.018 189 I CA -0.310 61.108 61.300 0.197 0.000 1.260 189 I CB 0.851 38.971 38.000 0.200 0.000 1.390 189 I HN 0.385 nan 8.210 nan 0.000 0.475 190 R N 7.032 127.629 120.500 0.162 0.000 2.338 190 R HA 0.444 4.784 4.340 -0.001 0.000 0.317 190 R C -0.750 175.639 176.300 0.149 0.000 0.968 190 R CA -0.888 55.297 56.100 0.143 0.000 0.849 190 R CB 1.173 31.527 30.300 0.090 0.000 1.128 190 R HN 0.454 nan 8.270 nan 0.000 0.448 191 I N 5.419 126.095 120.570 0.177 0.000 2.441 191 I HA 0.061 4.231 4.170 -0.001 0.000 0.287 191 I C 1.589 177.766 176.117 0.100 0.000 1.049 191 I CA 0.058 61.455 61.300 0.162 0.000 1.381 191 I CB 1.000 39.129 38.000 0.215 0.000 1.409 191 I HN 0.493 nan 8.210 nan 0.000 0.523 192 K N 3.749 124.188 120.400 0.066 0.000 2.057 192 K HA -0.033 4.286 4.320 -0.001 0.000 0.207 192 K C 1.258 177.880 176.600 0.036 0.000 1.049 192 K CA 1.338 57.646 56.287 0.035 0.000 0.931 192 K CB 0.191 32.689 32.500 -0.003 0.000 0.714 192 K HN 0.909 nan 8.250 nan 0.000 0.440 193 G N 0.041 108.867 108.800 0.044 0.000 3.508 193 G HA2 0.044 4.003 3.960 -0.001 0.000 0.172 193 G HA3 0.044 4.003 3.960 -0.001 0.000 0.172 193 G C -1.245 173.691 174.900 0.060 0.000 1.231 193 G CA -0.520 44.605 45.100 0.042 0.000 1.218 193 G HN -0.026 nan 8.290 nan 0.000 0.709 194 D N 0.460 120.892 120.400 0.054 0.000 2.362 194 D HA 0.474 5.114 4.640 -0.001 0.000 0.242 194 D C -0.570 175.782 176.300 0.087 0.000 1.132 194 D CA 0.160 54.199 54.000 0.065 0.000 0.907 194 D CB 2.098 42.931 40.800 0.056 0.000 1.195 194 D HN 0.225 nan 8.370 nan 0.000 0.429 195 L N 2.244 123.522 121.223 0.093 0.000 2.372 195 L HA 0.319 4.659 4.340 -0.001 0.000 0.274 195 L C -0.620 176.304 176.870 0.090 0.000 0.988 195 L CA -0.789 54.117 54.840 0.110 0.000 0.833 195 L CB 1.386 43.534 42.059 0.148 0.000 1.236 195 L HN 0.210 nan 8.230 nan 0.000 0.410 196 V N 1.736 121.706 119.914 0.093 0.000 2.997 196 V HA 0.632 4.752 4.120 -0.001 0.000 0.311 196 V C 0.818 176.973 176.094 0.102 0.000 1.066 196 V CA -0.078 62.277 62.300 0.093 0.000 1.039 196 V CB 1.173 33.055 31.823 0.098 0.000 1.081 196 V HN 0.925 nan 8.190 nan 0.000 0.467 197 S N -0.023 115.756 115.700 0.133 0.000 3.614 197 S HA -0.221 4.248 4.470 -0.001 0.000 0.360 197 S C 1.287 176.022 174.600 0.225 0.000 1.023 197 S CA 1.330 59.661 58.200 0.217 0.000 1.114 197 S CB -1.438 61.871 63.200 0.181 0.000 0.907 197 S HN 1.105 nan 8.310 nan 0.000 0.470 198 K N 1.412 121.886 120.400 0.124 0.000 2.113 198 K HA -0.139 4.181 4.320 -0.001 0.000 0.208 198 K C -1.090 175.548 176.600 0.064 0.000 1.047 198 K CA 1.764 58.086 56.287 0.058 0.000 0.928 198 K CB -0.505 31.945 32.500 -0.083 0.000 0.716 198 K HN 0.379 nan 8.250 nan 0.000 0.446 199 P HA -0.135 nan 4.420 nan 0.000 0.221 199 P C 0.317 177.569 177.300 -0.081 0.000 1.145 199 P CA 1.119 64.188 63.100 -0.052 0.000 0.795 199 P CB -0.053 31.567 31.700 -0.134 0.000 0.775 200 Y N -1.204 119.128 120.300 0.053 0.000 2.421 200 Y HA -0.107 4.442 4.550 -0.001 0.000 0.292 200 Y C 2.188 178.119 175.900 0.052 0.000 1.136 200 Y CA 0.422 58.546 58.100 0.041 0.000 1.255 200 Y CB -0.699 37.768 38.460 0.011 0.000 0.991 200 Y HN -0.079 nan 8.280 nan 0.000 0.552 201 I N -0.080 120.617 120.570 0.212 0.000 2.315 201 I HA -0.238 3.932 4.170 -0.001 0.000 0.248 201 I C 1.584 177.816 176.117 0.192 0.000 1.117 201 I CA 1.265 62.676 61.300 0.186 0.000 1.404 201 I CB -1.007 37.158 38.000 0.275 0.000 1.071 201 I HN 0.243 nan 8.210 nan 0.000 0.419 202 D N 0.897 121.419 120.400 0.203 0.000 2.144 202 D HA -0.103 4.537 4.640 -0.001 0.000 0.200 202 D C 2.375 178.741 176.300 0.110 0.000 0.978 202 D CA 0.997 55.099 54.000 0.170 0.000 0.833 202 D CB 0.011 40.898 40.800 0.144 0.000 0.961 202 D HN 0.321 nan 8.370 nan 0.000 0.470 203 I N 0.862 121.484 120.570 0.085 0.000 2.226 203 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 203 I C 2.279 178.448 176.117 0.087 0.000 1.100 203 I CA 1.034 62.383 61.300 0.081 0.000 1.374 203 I CB -0.437 37.612 38.000 0.082 0.000 1.057 203 I HN -0.029 nan 8.210 nan 0.000 0.413 204 T N 1.551 116.156 114.554 0.084 0.000 2.684 204 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 204 T C 1.953 176.687 174.700 0.056 0.000 1.036 204 T CA 1.373 63.501 62.100 0.048 0.000 1.148 204 T CB -0.360 68.522 68.868 0.024 0.000 0.863 204 T HN 0.245 nan 8.240 nan 0.000 0.436 205 L N 0.768 122.038 121.223 0.078 0.000 2.093 205 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 205 L C 2.403 179.331 176.870 0.096 0.000 1.085 205 L CA 1.220 56.114 54.840 0.090 0.000 0.755 205 L CB -0.701 41.420 42.059 0.104 0.000 0.904 205 L HN 0.363 nan 8.230 nan 0.000 0.435 206 N N -0.223 118.536 118.700 0.097 0.000 2.084 206 N HA -0.178 4.561 4.740 -0.001 0.000 0.190 206 N C 1.822 177.402 175.510 0.116 0.000 1.030 206 N CA 0.748 53.860 53.050 0.103 0.000 0.849 206 N CB 0.017 38.567 38.487 0.106 0.000 1.012 206 N HN 0.147 nan 8.380 nan 0.000 0.423 207 L N 1.008 122.295 121.223 0.106 0.000 2.046 207 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 207 L C 2.220 179.188 176.870 0.163 0.000 1.077 207 L CA 1.513 56.417 54.840 0.107 0.000 0.747 207 L CB -0.902 41.172 42.059 0.025 0.000 0.896 207 L HN 0.355 nan 8.230 nan 0.000 0.432 208 M N -0.610 119.063 119.600 0.121 0.000 2.108 208 M HA -0.272 4.207 4.480 -0.001 0.000 0.261 208 M C 2.253 178.706 176.300 0.256 0.000 1.066 208 M CA 1.728 57.154 55.300 0.210 0.000 1.107 208 M CB -0.352 32.372 32.600 0.205 0.000 1.356 208 M HN 0.113 nan 8.290 nan 0.000 0.406 209 K N -0.252 120.248 120.400 0.167 0.000 2.057 209 K HA -0.131 4.189 4.320 -0.001 0.000 0.207 209 K C 1.746 178.411 176.600 0.108 0.000 1.049 209 K CA 1.670 58.034 56.287 0.128 0.000 0.931 209 K CB -0.054 32.501 32.500 0.092 0.000 0.714 209 K HN 0.210 nan 8.250 nan 0.000 0.440 210 T N 0.354 114.963 114.554 0.093 0.000 2.759 210 T HA -0.127 4.222 4.350 -0.001 0.000 0.269 210 T C 0.897 175.497 174.700 -0.167 0.000 1.042 210 T CA 1.285 63.365 62.100 -0.034 0.000 1.140 210 T CB -0.200 68.607 68.868 -0.102 0.000 0.864 210 T HN 0.186 nan 8.240 nan 0.000 0.455 211 F N 0.585 120.539 119.950 0.007 0.000 2.664 211 F HA 0.390 4.917 4.527 -0.001 0.000 0.301 211 F C 1.707 177.630 175.800 0.207 0.000 1.126 211 F CA -0.119 57.926 58.000 0.075 0.000 1.373 211 F CB -0.082 38.904 39.000 -0.023 0.000 1.042 211 F HN 0.261 nan 8.300 nan 0.000 0.535 212 G N 0.222 109.151 108.800 0.215 0.000 2.141 212 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.242 212 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.242 212 G C -0.323 174.645 174.900 0.113 0.000 0.982 212 G CA 0.014 45.198 45.100 0.141 0.000 0.662 212 G HN 0.169 nan 8.290 nan 0.000 0.527 213 V N 0.315 120.325 119.914 0.161 0.000 2.588 213 V HA 0.676 4.796 4.120 -0.001 0.000 0.304 213 V C -0.073 176.078 176.094 0.096 0.000 1.042 213 V CA -0.792 61.557 62.300 0.082 0.000 0.877 213 V CB 1.924 33.758 31.823 0.019 0.000 0.996 213 V HN 0.365 nan 8.190 nan 0.000 0.425 214 E N 3.376 123.609 120.200 0.054 0.000 2.299 214 E HA 0.767 5.116 4.350 -0.001 0.000 0.265 214 E C -1.232 175.396 176.600 0.046 0.000 0.911 214 E CA -0.738 55.695 56.400 0.054 0.000 0.789 214 E CB 2.968 32.691 29.700 0.038 0.000 1.246 214 E HN 0.642 nan 8.360 nan 0.000 0.427 215 I N -2.607 117.997 120.570 0.057 0.000 3.343 215 I HA 0.459 4.628 4.170 -0.001 0.000 0.315 215 I C -0.669 175.474 176.117 0.042 0.000 1.153 215 I CA -0.913 60.425 61.300 0.063 0.000 0.952 215 I CB 1.647 39.712 38.000 0.108 0.000 1.287 215 I HN 0.354 nan 8.210 nan 0.000 0.472 216 E N 2.080 122.298 120.200 0.031 0.000 2.081 216 E HA 0.243 4.593 4.350 -0.001 0.000 0.276 216 E C -1.159 175.380 176.600 -0.101 0.000 0.950 216 E CA -0.495 55.883 56.400 -0.037 0.000 0.776 216 E CB 0.595 30.269 29.700 -0.042 0.000 1.094 216 E HN 0.605 nan 8.360 nan 0.000 0.402 217 N N 4.344 122.921 118.700 -0.204 0.000 2.462 217 N HA 0.040 4.780 4.740 -0.001 0.000 0.242 217 N C -1.186 173.985 175.510 -0.566 0.000 1.010 217 N CA -0.118 52.630 53.050 -0.503 0.000 0.939 217 N CB 0.888 39.099 38.487 -0.459 0.000 1.127 217 N HN 0.468 nan 8.380 nan 0.000 0.509 218 Q N 2.794 122.235 119.800 -0.598 0.000 2.571 218 Q HA 0.149 4.488 4.340 -0.001 0.000 0.222 218 Q C -0.603 175.187 176.000 -0.351 0.000 1.167 218 Q CA -0.413 55.138 55.803 -0.421 0.000 0.966 218 Q CB -0.087 28.517 28.738 -0.222 0.000 1.274 218 Q HN 0.694 nan 8.270 nan 0.000 0.552 219 H N 0.195 119.122 119.070 -0.239 0.000 2.690 219 H HA -0.270 4.285 4.556 -0.001 0.000 0.309 219 H C -0.811 174.566 175.328 0.081 0.000 1.138 219 H CA 0.887 56.910 56.048 -0.042 0.000 1.142 219 H CB -2.002 27.765 29.762 0.009 0.000 1.410 219 H HN 0.778 nan 8.280 nan 0.000 0.409 220 Y N -3.152 117.014 120.300 -0.224 0.000 4.604 220 Y HA -0.391 4.159 4.550 -0.001 0.000 0.230 220 Y C 1.593 177.471 175.900 -0.037 0.000 1.066 220 Y CA 1.343 59.362 58.100 -0.135 0.000 1.990 220 Y CB -1.450 37.093 38.460 0.138 0.000 1.619 220 Y HN 0.562 nan 8.280 nan 0.000 0.649 221 Q N -0.295 119.481 119.800 -0.040 0.000 2.396 221 Q HA 0.142 4.481 4.340 -0.001 0.000 0.220 221 Q C 0.640 176.654 176.000 0.024 0.000 0.900 221 Q CA 0.810 56.647 55.803 0.058 0.000 0.925 221 Q CB 0.988 29.760 28.738 0.058 0.000 1.065 221 Q HN 0.688 nan 8.270 nan 0.000 0.535 222 Q N -0.635 119.058 119.800 -0.179 0.000 2.353 222 Q HA 0.445 4.785 4.340 -0.001 0.000 0.275 222 Q C -1.851 173.942 176.000 -0.345 0.000 1.029 222 Q CA -0.330 55.423 55.803 -0.083 0.000 0.848 222 Q CB 1.645 30.361 28.738 -0.036 0.000 1.390 222 Q HN -0.095 nan 8.270 nan 0.000 0.401 223 F N 1.871 121.827 119.950 0.009 0.000 2.518 223 F HA 0.508 5.035 4.527 -0.001 0.000 0.323 223 F C -0.611 175.192 175.800 0.006 0.000 1.129 223 F CA -0.824 57.170 58.000 -0.009 0.000 0.920 223 F CB 2.028 41.028 39.000 0.000 0.000 1.160 223 F HN 0.237 nan 8.300 nan 0.000 0.440 224 V N 4.651 124.636 119.914 0.119 0.000 2.370 224 V HA 0.537 4.657 4.120 -0.001 0.000 0.279 224 V C -0.448 175.698 176.094 0.086 0.000 1.029 224 V CA -0.713 61.635 62.300 0.081 0.000 0.870 224 V CB 1.502 33.340 31.823 0.026 0.000 0.984 224 V HN 0.516 nan 8.190 nan 0.000 0.451 225 V N 5.471 125.438 119.914 0.088 0.000 2.448 225 V HA 0.430 4.549 4.120 -0.001 0.000 0.295 225 V C 0.013 176.136 176.094 0.049 0.000 1.025 225 V CA -1.138 61.206 62.300 0.074 0.000 0.859 225 V CB 1.826 33.705 31.823 0.093 0.000 0.988 225 V HN 0.800 nan 8.190 nan 0.000 0.431 226 K N 2.956 123.373 120.400 0.029 0.000 2.276 226 K HA 0.551 4.870 4.320 -0.001 0.000 0.283 226 K C 0.655 177.261 176.600 0.011 0.000 1.044 226 K CA -0.137 56.159 56.287 0.015 0.000 0.944 226 K CB 1.430 33.932 32.500 0.003 0.000 1.012 226 K HN 0.886 nan 8.250 nan 0.000 0.472 227 G N 0.015 108.823 108.800 0.014 0.000 2.563 227 G HA2 0.391 4.350 3.960 -0.001 0.000 0.283 227 G HA3 0.391 4.350 3.960 -0.001 0.000 0.283 227 G C 0.627 175.525 174.900 -0.002 0.000 1.309 227 G CA -0.200 44.909 45.100 0.016 0.000 1.022 227 G HN 0.760 nan 8.290 nan 0.000 0.501 228 G N -1.681 107.120 108.800 0.002 0.000 2.179 228 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.257 228 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.257 228 G C 0.425 175.310 174.900 -0.025 0.000 1.010 228 G CA 0.918 46.016 45.100 -0.004 0.000 0.736 228 G HN 0.763 nan 8.290 nan 0.000 0.513 229 Q N -0.542 119.225 119.800 -0.055 0.000 2.185 229 Q HA 0.713 5.053 4.340 -0.001 0.000 0.225 229 Q C -0.182 175.748 176.000 -0.117 0.000 0.983 229 Q CA -0.212 55.532 55.803 -0.098 0.000 0.950 229 Q CB 1.362 30.009 28.738 -0.150 0.000 1.176 229 Q HN 0.257 nan 8.270 nan 0.000 0.510 230 S N -0.271 115.348 115.700 -0.136 0.000 2.541 230 S HA 0.422 4.891 4.470 -0.001 0.000 0.280 230 S C -1.515 173.038 174.600 -0.079 0.000 1.112 230 S CA -0.696 57.471 58.200 -0.055 0.000 0.925 230 S CB 0.627 63.830 63.200 0.005 0.000 1.067 230 S HN 0.324 nan 8.310 nan 0.000 0.479 231 Y N 1.870 122.269 120.300 0.165 0.000 2.304 231 Y HA 0.431 4.981 4.550 -0.001 0.000 0.327 231 Y C 0.855 176.898 175.900 0.239 0.000 1.209 231 Y CA -0.089 58.120 58.100 0.182 0.000 1.299 231 Y CB 0.661 39.207 38.460 0.144 0.000 1.249 231 Y HN 0.389 nan 8.280 nan 0.000 0.519 232 Q N 0.996 121.031 119.800 0.392 0.000 2.356 232 Q HA 0.237 4.576 4.340 -0.001 0.000 0.270 232 Q C -0.517 175.598 176.000 0.192 0.000 1.058 232 Q CA -0.834 55.120 55.803 0.252 0.000 0.802 232 Q CB 2.304 31.116 28.738 0.124 0.000 1.303 232 Q HN 0.703 nan 8.270 nan 0.000 0.444 233 S N 3.093 118.887 115.700 0.156 0.000 2.552 233 S HA 0.095 4.564 4.470 -0.001 0.000 0.289 233 S C -1.383 173.145 174.600 -0.121 0.000 1.304 233 S CA -0.520 57.705 58.200 0.041 0.000 1.063 233 S CB 0.345 63.591 63.200 0.076 0.000 0.848 233 S HN 0.407 nan 8.310 nan 0.000 0.499 234 P HA 0.259 nan 4.420 nan 0.000 0.255 234 P C 1.057 178.292 177.300 -0.109 0.000 1.248 234 P CA 0.644 63.582 63.100 -0.271 0.000 0.807 234 P CB -0.413 30.999 31.700 -0.481 0.000 1.150 235 G N 1.032 109.795 108.800 -0.062 0.000 2.588 235 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.273 235 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.273 235 G C -0.057 174.856 174.900 0.021 0.000 1.211 235 G CA 0.264 45.360 45.100 -0.006 0.000 0.958 235 G HN 0.515 nan 8.290 nan 0.000 0.543 236 T N -1.581 112.993 114.554 0.032 0.000 2.806 236 T HA 0.585 4.935 4.350 -0.001 0.000 0.290 236 T C -0.745 174.011 174.700 0.094 0.000 0.966 236 T CA 0.165 62.297 62.100 0.055 0.000 1.060 236 T CB 2.025 70.910 68.868 0.028 0.000 0.927 236 T HN 1.432 nan 8.240 nan 0.000 0.485 237 Y N 3.154 123.438 120.300 -0.028 0.000 2.373 237 Y HA 0.572 5.121 4.550 -0.001 0.000 0.336 237 Y C -1.439 174.460 175.900 -0.000 0.000 0.979 237 Y CA -1.840 56.243 58.100 -0.029 0.000 1.080 237 Y CB 1.623 40.061 38.460 -0.038 0.000 1.190 237 Y HN 0.826 nan 8.280 nan 0.000 0.446 238 L N 7.340 128.211 121.223 -0.585 0.000 2.257 238 L HA 0.557 4.896 4.340 -0.001 0.000 0.290 238 L C -1.200 175.345 176.870 -0.541 0.000 1.044 238 L CA -0.421 54.180 54.840 -0.397 0.000 0.810 238 L CB 0.804 42.700 42.059 -0.270 0.000 1.193 238 L HN 0.503 nan 8.230 nan 0.000 0.425 239 V N 5.546 125.337 119.914 -0.204 0.000 2.508 239 V HA 0.139 4.258 4.120 -0.001 0.000 0.281 239 V C 0.660 176.716 176.094 -0.064 0.000 1.041 239 V CA -0.526 61.743 62.300 -0.051 0.000 1.016 239 V CB 0.506 32.370 31.823 0.068 0.000 0.984 239 V HN 0.763 nan 8.190 nan 0.000 0.478 240 E N 2.819 122.997 120.200 -0.038 0.000 2.418 240 E HA 0.232 4.581 4.350 -0.001 0.000 0.261 240 E C 0.764 177.358 176.600 -0.010 0.000 1.070 240 E CA 0.201 56.587 56.400 -0.023 0.000 0.931 240 E CB 0.601 30.305 29.700 0.007 0.000 0.954 240 E HN 0.869 nan 8.360 nan 0.000 0.439 241 G N 1.465 110.258 108.800 -0.011 0.000 2.614 241 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.239 241 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.239 241 G C -0.284 174.609 174.900 -0.013 0.000 1.240 241 G CA -0.422 44.667 45.100 -0.018 0.000 0.842 241 G HN 0.499 nan 8.290 nan 0.000 0.584 242 D N 1.018 121.395 120.400 -0.039 0.000 2.325 242 D HA 0.309 4.949 4.640 -0.001 0.000 0.251 242 D C 1.221 177.510 176.300 -0.018 0.000 1.196 242 D CA 0.029 54.010 54.000 -0.031 0.000 0.866 242 D CB 1.470 42.227 40.800 -0.071 0.000 1.101 242 D HN 0.264 nan 8.370 nan 0.000 0.476 243 A N 3.113 125.929 122.820 -0.007 0.000 2.066 243 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 243 A C 2.135 179.662 177.584 -0.095 0.000 1.157 243 A CA 0.872 52.899 52.037 -0.017 0.000 0.670 243 A CB 0.102 19.109 19.000 0.011 0.000 0.804 243 A HN 0.546 nan 8.150 nan 0.000 0.453 244 S N 0.133 115.780 115.700 -0.088 0.000 2.377 244 S HA -0.083 4.386 4.470 -0.001 0.000 0.223 244 S C 2.182 176.645 174.600 -0.227 0.000 1.030 244 S CA 1.269 59.360 58.200 -0.182 0.000 0.970 244 S CB -0.244 62.919 63.200 -0.061 0.000 0.830 244 S HN 0.609 nan 8.310 nan 0.000 0.473 245 S N 2.091 117.775 115.700 -0.027 0.000 2.400 245 S HA -0.040 4.430 4.470 -0.001 0.000 0.232 245 S C 2.168 176.848 174.600 0.133 0.000 1.025 245 S CA 0.928 59.231 58.200 0.171 0.000 0.993 245 S CB -0.450 62.725 63.200 -0.042 0.000 0.808 245 S HN 0.608 nan 8.310 nan 0.000 0.478 246 A N 1.799 124.632 122.820 0.022 0.000 2.067 246 A HA -0.079 4.241 4.320 -0.001 0.000 0.219 246 A C 2.311 179.804 177.584 -0.151 0.000 1.158 246 A CA 1.656 53.753 52.037 0.099 0.000 0.661 246 A CB -0.842 18.197 19.000 0.064 0.000 0.801 246 A HN 0.621 nan 8.150 nan 0.000 0.452 247 S N -0.750 114.596 115.700 -0.591 0.000 2.383 247 S HA -0.243 4.227 4.470 -0.001 0.000 0.229 247 S C 1.816 175.948 174.600 -0.779 0.000 1.030 247 S CA 1.561 59.129 58.200 -1.054 0.000 1.002 247 S CB -0.916 61.139 63.200 -1.908 0.000 0.829 247 S HN 0.573 nan 8.310 nan 0.000 0.467 248 Y N 1.280 121.314 120.300 -0.443 0.000 2.224 248 Y HA 0.053 4.602 4.550 -0.001 0.000 0.289 248 Y C 2.129 177.865 175.900 -0.273 0.000 1.146 248 Y CA 0.785 58.641 58.100 -0.407 0.000 1.182 248 Y CB -1.002 37.118 38.460 -0.566 0.000 0.983 248 Y HN 0.265 nan 8.280 nan 0.000 0.524 249 F N -0.989 119.072 119.950 0.186 0.000 2.234 249 F HA -0.053 4.474 4.527 -0.001 0.000 0.296 249 F C 2.103 177.950 175.800 0.077 0.000 1.089 249 F CA 0.627 58.699 58.000 0.120 0.000 1.343 249 F CB -1.192 37.873 39.000 0.109 0.000 1.040 249 F HN -0.044 nan 8.300 nan 0.000 0.498 250 L N -0.198 121.161 121.223 0.227 0.000 2.056 250 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 250 L C 2.720 179.687 176.870 0.163 0.000 1.078 250 L CA 1.194 56.140 54.840 0.176 0.000 0.749 250 L CB -1.055 41.126 42.059 0.202 0.000 0.901 250 L HN 0.151 nan 8.230 nan 0.000 0.433 251 A N 0.070 123.020 122.820 0.217 0.000 1.933 251 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 251 A C 2.540 180.165 177.584 0.068 0.000 1.175 251 A CA 1.588 53.728 52.037 0.171 0.000 0.628 251 A CB -0.637 18.509 19.000 0.243 0.000 0.814 251 A HN 0.395 nan 8.150 nan 0.000 0.444 252 A N -0.081 122.786 122.820 0.079 0.000 1.940 252 A HA 0.127 4.447 4.320 -0.001 0.000 0.219 252 A C 2.468 180.052 177.584 -0.000 0.000 1.176 252 A CA 2.100 54.156 52.037 0.031 0.000 0.631 252 A CB -0.909 18.152 19.000 0.102 0.000 0.814 252 A HN 1.039 nan 8.150 nan 0.000 0.446 253 A N -0.319 122.522 122.820 0.035 0.000 1.930 253 A HA 0.247 4.566 4.320 -0.001 0.000 0.217 253 A C 2.450 180.024 177.584 -0.018 0.000 1.175 253 A CA 1.750 53.791 52.037 0.007 0.000 0.627 253 A CB -0.884 18.128 19.000 0.021 0.000 0.815 253 A HN 1.044 nan 8.150 nan 0.000 0.443 254 A N -0.296 122.516 122.820 -0.013 0.000 1.972 254 A HA -0.029 4.291 4.320 -0.001 0.000 0.219 254 A C 2.037 179.592 177.584 -0.049 0.000 1.169 254 A CA 1.532 53.552 52.037 -0.028 0.000 0.635 254 A CB -0.483 18.500 19.000 -0.027 0.000 0.810 254 A HN 0.509 nan 8.150 nan 0.000 0.446 255 I N -2.463 118.049 120.570 -0.096 0.000 2.494 255 I HA 0.027 4.197 4.170 -0.001 0.000 0.250 255 I C 1.715 177.722 176.117 -0.183 0.000 1.112 255 I CA 1.205 62.385 61.300 -0.199 0.000 1.438 255 I CB 0.255 37.987 38.000 -0.446 0.000 1.111 255 I HN 0.073 nan 8.210 nan 0.000 0.431 256 K N 0.495 120.811 120.400 -0.140 0.000 2.665 256 K HA 0.302 4.622 4.320 -0.001 0.000 0.194 256 K C 0.098 176.667 176.600 -0.052 0.000 1.135 256 K CA -0.105 56.120 56.287 -0.102 0.000 1.089 256 K CB 0.696 33.118 32.500 -0.131 0.000 0.817 256 K HN 0.143 nan 8.250 nan 0.000 0.506 257 G N -0.645 108.132 108.800 -0.039 0.000 2.543 257 G HA2 0.547 4.507 3.960 -0.001 0.000 0.290 257 G HA3 0.547 4.507 3.960 -0.001 0.000 0.290 257 G C 0.107 174.995 174.900 -0.019 0.000 1.310 257 G CA -0.033 45.054 45.100 -0.023 0.000 1.025 257 G HN 0.436 nan 8.290 nan 0.000 0.502 258 G N -2.122 106.668 108.800 -0.016 0.000 2.814 258 G HA2 0.212 4.172 3.960 -0.001 0.000 0.677 258 G HA3 0.212 4.172 3.960 -0.001 0.000 0.677 258 G C -0.329 174.562 174.900 -0.016 0.000 1.429 258 G CA -0.034 45.056 45.100 -0.016 0.000 0.868 258 G HN 1.197 nan 8.290 nan 0.000 0.553 259 T N 0.131 114.673 114.554 -0.020 0.000 2.841 259 T HA 0.596 4.945 4.350 -0.001 0.000 0.285 259 T C -0.195 174.492 174.700 -0.023 0.000 0.991 259 T CA -0.388 61.698 62.100 -0.022 0.000 0.966 259 T CB 1.919 70.768 68.868 -0.033 0.000 0.962 259 T HN 1.035 nan 8.240 nan 0.000 0.438 260 V N 3.946 123.855 119.914 -0.009 0.000 2.444 260 V HA 0.522 4.642 4.120 -0.001 0.000 0.294 260 V C -0.031 176.061 176.094 -0.002 0.000 1.022 260 V CA -0.865 61.435 62.300 -0.001 0.000 0.850 260 V CB 1.768 33.621 31.823 0.051 0.000 0.992 260 V HN 0.722 nan 8.190 nan 0.000 0.426 261 K N 4.391 124.772 120.400 -0.031 0.000 2.206 261 K HA 0.762 5.081 4.320 -0.001 0.000 0.264 261 K C -0.907 175.692 176.600 -0.002 0.000 0.967 261 K CA -0.536 55.735 56.287 -0.026 0.000 0.844 261 K CB 1.966 34.393 32.500 -0.120 0.000 1.099 261 K HN 0.595 nan 8.250 nan 0.000 0.441 262 V N 0.528 120.476 119.914 0.056 0.000 2.513 262 V HA 0.608 4.728 4.120 -0.001 0.000 0.299 262 V C -0.273 175.874 176.094 0.088 0.000 1.035 262 V CA -0.603 61.733 62.300 0.061 0.000 0.889 262 V CB 1.110 33.001 31.823 0.114 0.000 0.988 262 V HN 0.902 nan 8.190 nan 0.000 0.440 263 T N 0.418 115.007 114.554 0.058 0.000 2.918 263 T HA 0.815 5.164 4.350 -0.001 0.000 0.286 263 T C 0.887 175.616 174.700 0.049 0.000 1.026 263 T CA 0.106 62.252 62.100 0.077 0.000 1.031 263 T CB 1.357 70.255 68.868 0.051 0.000 1.046 263 T HN 2.447 nan 8.240 nan 0.000 0.479 264 G N 1.200 110.030 108.800 0.050 0.000 2.231 264 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.206 264 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.206 264 G C -0.027 174.889 174.900 0.026 0.000 0.996 264 G CA -0.051 45.064 45.100 0.024 0.000 0.645 264 G HN 1.493 nan 8.290 nan 0.000 0.498 265 I N -2.531 118.068 120.570 0.047 0.000 2.969 265 I HA 0.952 5.122 4.170 -0.001 0.000 0.307 265 I C 0.256 176.414 176.117 0.069 0.000 1.149 265 I CA -0.751 60.582 61.300 0.056 0.000 1.008 265 I CB 2.007 40.045 38.000 0.064 0.000 1.232 265 I HN 0.683 nan 8.210 nan 0.000 0.435 266 G N 2.926 111.786 108.800 0.100 0.000 2.634 266 G HA2 0.294 4.253 3.960 -0.001 0.000 0.309 266 G HA3 0.294 4.253 3.960 -0.001 0.000 0.309 266 G C 0.047 175.089 174.900 0.237 0.000 1.299 266 G CA -0.414 44.762 45.100 0.126 0.000 0.798 266 G HN 0.917 nan 8.290 nan 0.000 0.490 267 R N -0.459 120.164 120.500 0.206 0.000 2.193 267 R HA -0.011 4.328 4.340 -0.001 0.000 0.229 267 R C 0.717 176.976 176.300 -0.068 0.000 1.110 267 R CA 1.600 57.700 56.100 -0.000 0.000 0.988 267 R CB -0.200 30.017 30.300 -0.138 0.000 0.871 267 R HN 0.327 nan 8.270 nan 0.000 0.458 268 N N 1.092 119.783 118.700 -0.015 0.000 2.336 268 N HA -0.035 4.704 4.740 -0.001 0.000 0.189 268 N C 0.076 175.587 175.510 0.002 0.000 1.113 268 N CA 0.257 53.294 53.050 -0.022 0.000 0.858 268 N CB 0.615 39.092 38.487 -0.017 0.000 0.970 268 N HN 0.180 nan 8.380 nan 0.000 0.471 269 S N 1.349 117.068 115.700 0.030 0.000 2.568 269 S HA 0.032 4.502 4.470 -0.001 0.000 0.282 269 S C 1.549 176.165 174.600 0.026 0.000 1.338 269 S CA -0.452 57.771 58.200 0.038 0.000 1.045 269 S CB 0.568 63.809 63.200 0.069 0.000 0.873 269 S HN 0.289 nan 8.310 nan 0.000 0.516 270 M N 2.062 121.679 119.600 0.028 0.000 2.541 270 M HA 0.216 4.696 4.480 -0.001 0.000 0.252 270 M C 0.359 176.655 176.300 -0.006 0.000 1.125 270 M CA 0.353 55.666 55.300 0.022 0.000 1.091 270 M CB -0.237 32.391 32.600 0.046 0.000 1.420 270 M HN 0.547 nan 8.290 nan 0.000 0.486 271 Q N 1.523 121.318 119.800 -0.008 0.000 2.304 271 Q HA 0.281 4.621 4.340 -0.001 0.000 0.260 271 Q C 1.242 177.196 176.000 -0.077 0.000 0.965 271 Q CA -0.001 55.762 55.803 -0.066 0.000 0.898 271 Q CB 1.501 30.222 28.738 -0.029 0.000 1.196 271 Q HN 0.524 nan 8.270 nan 0.000 0.402 272 G N 2.629 111.316 108.800 -0.189 0.000 2.448 272 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.219 272 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.219 272 G C 0.570 175.448 174.900 -0.036 0.000 1.127 272 G CA 0.424 45.452 45.100 -0.119 0.000 0.766 272 G HN 0.588 nan 8.290 nan 0.000 0.552 273 D N 0.463 120.828 120.400 -0.059 0.000 2.378 273 D HA -0.074 4.565 4.640 -0.001 0.000 0.222 273 D C 2.572 178.936 176.300 0.106 0.000 0.980 273 D CA 0.275 54.285 54.000 0.016 0.000 0.907 273 D CB -0.164 40.620 40.800 -0.027 0.000 0.899 273 D HN 0.627 nan 8.370 nan 0.000 0.527 274 I N -1.869 118.778 120.570 0.129 0.000 2.567 274 I HA -0.132 4.038 4.170 -0.001 0.000 0.257 274 I C 1.563 177.883 176.117 0.338 0.000 1.184 274 I CA 0.827 62.275 61.300 0.247 0.000 1.451 274 I CB -0.139 38.057 38.000 0.326 0.000 1.089 274 I HN -0.184 nan 8.210 nan 0.000 0.441 275 R N 0.684 121.334 120.500 0.251 0.000 2.328 275 R HA -0.078 4.262 4.340 -0.001 0.000 0.207 275 R C 1.918 178.357 176.300 0.230 0.000 1.056 275 R CA 0.877 57.130 56.100 0.254 0.000 1.016 275 R CB -0.873 29.571 30.300 0.240 0.000 0.872 275 R HN 0.495 nan 8.270 nan 0.000 0.471 276 F N 1.888 121.874 119.950 0.060 0.000 2.161 276 F HA -0.196 4.330 4.527 -0.001 0.000 0.300 276 F C 2.209 178.025 175.800 0.027 0.000 1.089 276 F CA 1.309 59.314 58.000 0.008 0.000 1.282 276 F CB -0.165 38.802 39.000 -0.054 0.000 1.010 276 F HN 0.020 nan 8.300 nan 0.000 0.485 277 A N 0.118 122.984 122.820 0.075 0.000 1.978 277 A HA -0.209 4.110 4.320 -0.001 0.000 0.220 277 A C 1.943 179.507 177.584 -0.033 0.000 1.170 277 A CA 1.960 53.959 52.037 -0.065 0.000 0.636 277 A CB -0.971 17.947 19.000 -0.137 0.000 0.810 277 A HN 0.473 nan 8.150 nan 0.000 0.448 278 D N -0.199 120.263 120.400 0.104 0.000 2.178 278 D HA -0.098 4.541 4.640 -0.001 0.000 0.201 278 D C 2.023 178.311 176.300 -0.019 0.000 0.980 278 D CA 1.406 55.464 54.000 0.097 0.000 0.842 278 D CB -0.378 40.499 40.800 0.129 0.000 0.948 278 D HN 0.282 nan 8.370 nan 0.000 0.472 279 V N 1.103 120.947 119.914 -0.116 0.000 2.358 279 V HA -0.179 3.941 4.120 -0.001 0.000 0.246 279 V C 2.664 178.623 176.094 -0.225 0.000 1.047 279 V CA 0.963 63.163 62.300 -0.167 0.000 1.035 279 V CB -0.459 31.221 31.823 -0.238 0.000 0.658 279 V HN 0.183 nan 8.190 nan 0.000 0.452 280 L N -0.079 120.927 121.223 -0.361 0.000 2.083 280 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 280 L C 2.606 179.399 176.870 -0.128 0.000 1.083 280 L CA 1.984 56.663 54.840 -0.269 0.000 0.752 280 L CB -0.558 41.321 42.059 -0.299 0.000 0.899 280 L HN 0.437 nan 8.230 nan 0.000 0.433 281 E N 0.628 120.774 120.200 -0.089 0.000 2.077 281 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 281 E C 2.122 178.708 176.600 -0.023 0.000 0.989 281 E CA 1.167 57.550 56.400 -0.029 0.000 0.800 281 E CB 0.152 29.864 29.700 0.021 0.000 0.746 281 E HN 0.381 nan 8.360 nan 0.000 0.452 282 K N -0.253 120.129 120.400 -0.029 0.000 2.209 282 K HA -0.093 4.226 4.320 -0.001 0.000 0.204 282 K C 1.998 178.584 176.600 -0.023 0.000 1.048 282 K CA 1.308 57.584 56.287 -0.020 0.000 0.940 282 K CB -0.031 32.458 32.500 -0.017 0.000 0.729 282 K HN 0.258 nan 8.250 nan 0.000 0.451 283 M N -1.082 118.494 119.600 -0.040 0.000 2.558 283 M HA 0.030 4.509 4.480 -0.001 0.000 0.255 283 M C 0.977 177.266 176.300 -0.018 0.000 1.113 283 M CA 0.987 56.269 55.300 -0.029 0.000 1.097 283 M CB 0.718 33.293 32.600 -0.043 0.000 1.426 283 M HN 0.446 nan 8.290 nan 0.000 0.488 284 G N -0.065 108.723 108.800 -0.020 0.000 2.227 284 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.168 284 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.168 284 G C 0.062 174.954 174.900 -0.013 0.000 1.006 284 G CA -0.208 44.886 45.100 -0.010 0.000 0.684 284 G HN 0.595 nan 8.290 nan 0.000 0.489 285 A N -0.016 122.788 122.820 -0.026 0.000 2.271 285 A HA 0.821 5.141 4.320 -0.001 0.000 0.288 285 A C 0.446 178.017 177.584 -0.021 0.000 1.094 285 A CA 0.596 52.616 52.037 -0.028 0.000 0.828 285 A CB 0.692 19.664 19.000 -0.046 0.000 1.091 285 A HN 0.599 nan 8.150 nan 0.000 0.493 286 T N 1.868 116.411 114.554 -0.018 0.000 2.795 286 T HA 0.532 4.882 4.350 -0.001 0.000 0.282 286 T C -0.361 174.322 174.700 -0.029 0.000 0.980 286 T CA -0.045 62.050 62.100 -0.009 0.000 1.012 286 T CB 0.399 69.267 68.868 -0.000 0.000 0.936 286 T HN 0.363 nan 8.240 nan 0.000 0.457 287 I N 2.219 122.771 120.570 -0.029 0.000 2.509 287 I HA 0.432 4.601 4.170 -0.001 0.000 0.293 287 I C -0.277 175.789 176.117 -0.085 0.000 1.020 287 I CA -0.658 60.573 61.300 -0.116 0.000 1.088 287 I CB 1.646 39.546 38.000 -0.168 0.000 1.267 287 I HN 0.651 nan 8.210 nan 0.000 0.430 288 C N 4.826 124.045 119.300 -0.134 0.000 2.455 288 C HA 0.577 5.036 4.460 -0.001 0.000 0.320 288 C C -0.702 174.201 174.990 -0.144 0.000 1.226 288 C CA -0.705 58.320 59.018 0.011 0.000 1.569 288 C CB 1.132 28.966 27.740 0.157 0.000 2.200 288 C HN 0.731 nan 8.230 nan 0.000 0.491 289 W N 1.553 122.827 121.300 -0.042 0.000 2.632 289 W HA 0.622 5.281 4.660 -0.001 0.000 0.328 289 W C 0.424 176.646 176.519 -0.495 0.000 1.044 289 W CA 0.038 57.244 57.345 -0.231 0.000 1.225 289 W CB 1.677 31.058 29.460 -0.133 0.000 1.396 289 W HN 0.979 nan 8.180 nan 0.000 0.499 290 G N 0.799 109.167 108.800 -0.720 0.000 3.015 290 G HA2 0.193 4.152 3.960 -0.001 0.000 0.281 290 G HA3 0.193 4.152 3.960 -0.001 0.000 0.281 290 G C -0.563 174.147 174.900 -0.317 0.000 1.386 290 G CA -0.449 44.183 45.100 -0.781 0.000 0.959 290 G HN 0.394 nan 8.290 nan 0.000 0.522 291 D N -1.517 118.790 120.400 -0.155 0.000 2.144 291 D HA -0.031 4.608 4.640 -0.001 0.000 0.200 291 D C 0.767 177.050 176.300 -0.027 0.000 0.978 291 D CA 1.243 55.213 54.000 -0.051 0.000 0.833 291 D CB 0.385 41.182 40.800 -0.005 0.000 0.961 291 D HN 0.277 nan 8.370 nan 0.000 0.470 292 D N -1.637 118.762 120.400 -0.002 0.000 2.673 292 D HA 0.108 4.748 4.640 -0.001 0.000 0.278 292 D C -1.271 175.109 176.300 0.133 0.000 1.393 292 D CA -0.441 53.593 54.000 0.057 0.000 0.805 292 D CB 0.138 40.982 40.800 0.073 0.000 1.110 292 D HN 0.262 nan 8.370 nan 0.000 0.476 293 Y N -1.666 118.661 120.300 0.045 0.000 2.638 293 Y HA 0.632 5.182 4.550 -0.001 0.000 0.335 293 Y C -1.697 174.201 175.900 -0.004 0.000 1.155 293 Y CA -1.464 56.644 58.100 0.014 0.000 1.046 293 Y CB 0.981 39.438 38.460 -0.005 0.000 1.303 293 Y HN -0.219 nan 8.280 nan 0.000 0.460 294 I N 2.882 123.519 120.570 0.111 0.000 2.533 294 I HA 0.617 4.787 4.170 -0.001 0.000 0.290 294 I C -0.822 175.327 176.117 0.054 0.000 1.056 294 I CA -0.824 60.401 61.300 -0.124 0.000 1.057 294 I CB 2.466 40.244 38.000 -0.369 0.000 1.240 294 I HN 0.831 nan 8.210 nan 0.000 0.423 295 S N 4.310 120.020 115.700 0.018 0.000 2.568 295 S HA 0.718 5.187 4.470 -0.001 0.000 0.293 295 S C -1.033 173.525 174.600 -0.069 0.000 1.089 295 S CA -0.716 57.490 58.200 0.009 0.000 0.945 295 S CB 2.118 65.336 63.200 0.030 0.000 1.077 295 S HN 0.762 nan 8.310 nan 0.000 0.485 296 C N 2.202 121.479 119.300 -0.038 0.000 2.441 296 C HA 0.847 5.306 4.460 -0.001 0.000 0.318 296 C C -0.459 174.518 174.990 -0.022 0.000 1.222 296 C CA 0.097 59.090 59.018 -0.042 0.000 1.474 296 C CB 0.569 28.295 27.740 -0.024 0.000 2.125 296 C HN 1.002 nan 8.230 nan 0.000 0.479 297 T N 4.450 118.990 114.554 -0.023 0.000 2.824 297 T HA 0.428 4.778 4.350 -0.001 0.000 0.282 297 T C -0.423 174.267 174.700 -0.016 0.000 0.993 297 T CA -0.427 61.663 62.100 -0.017 0.000 0.967 297 T CB 1.186 70.047 68.868 -0.013 0.000 0.960 297 T HN 0.813 nan 8.240 nan 0.000 0.441 298 R N 1.853 122.343 120.500 -0.016 0.000 2.537 298 R HA 0.364 4.704 4.340 -0.001 0.000 0.281 298 R C 0.797 177.090 176.300 -0.011 0.000 0.988 298 R CA 0.844 56.935 56.100 -0.016 0.000 1.077 298 R CB -0.343 29.947 30.300 -0.017 0.000 0.932 298 R HN 0.852 nan 8.270 nan 0.000 0.409 299 G N 3.451 112.246 108.800 -0.009 0.000 2.710 299 G HA2 0.228 4.188 3.960 -0.001 0.000 0.198 299 G HA3 0.228 4.188 3.960 -0.001 0.000 0.198 299 G C -0.807 174.093 174.900 0.000 0.000 1.797 299 G CA 0.153 45.251 45.100 -0.004 0.000 0.759 299 G HN 0.695 nan 8.290 nan 0.000 0.808 300 E N -1.232 118.969 120.200 0.002 0.000 2.431 300 E HA 0.731 5.080 4.350 -0.001 0.000 0.268 300 E C -1.975 174.630 176.600 0.009 0.000 0.953 300 E CA -0.935 55.470 56.400 0.009 0.000 0.810 300 E CB 2.522 32.229 29.700 0.011 0.000 1.369 300 E HN 0.266 nan 8.360 nan 0.000 0.440 301 L N 1.732 122.968 121.223 0.022 0.000 2.504 301 L HA 0.427 4.767 4.340 -0.001 0.000 0.265 301 L C -1.798 175.091 176.870 0.031 0.000 0.975 301 L CA -0.285 54.571 54.840 0.027 0.000 0.864 301 L CB 1.358 43.447 42.059 0.049 0.000 1.212 301 L HN 0.485 nan 8.230 nan 0.000 0.416 302 N N 2.885 121.595 118.700 0.018 0.000 2.370 302 N HA 0.687 5.427 4.740 -0.001 0.000 0.303 302 N C -0.279 175.239 175.510 0.013 0.000 1.103 302 N CA -0.467 52.592 53.050 0.016 0.000 0.848 302 N CB 2.231 40.723 38.487 0.009 0.000 1.235 302 N HN 0.649 nan 8.380 nan 0.000 0.496 303 A N 1.157 123.986 122.820 0.015 0.000 2.466 303 A HA 0.427 4.747 4.320 -0.001 0.000 0.238 303 A C 0.243 177.830 177.584 0.006 0.000 1.074 303 A CA 0.110 52.155 52.037 0.013 0.000 0.774 303 A CB -0.293 18.715 19.000 0.013 0.000 1.015 303 A HN 0.663 nan 8.150 nan 0.000 0.498 304 I N -2.019 118.554 120.570 0.006 0.000 3.042 304 I HA 0.729 4.899 4.170 -0.001 0.000 0.310 304 I C -0.949 175.170 176.117 0.003 0.000 1.117 304 I CA -0.966 60.335 61.300 0.001 0.000 1.003 304 I CB 2.321 40.320 38.000 -0.003 0.000 1.228 304 I HN 0.382 nan 8.210 nan 0.000 0.443 305 D N 4.222 124.621 120.400 -0.002 0.000 2.473 305 D HA 0.564 5.204 4.640 -0.001 0.000 0.253 305 D C -1.534 174.763 176.300 -0.006 0.000 1.233 305 D CA -0.134 53.860 54.000 -0.009 0.000 0.908 305 D CB 1.268 42.055 40.800 -0.021 0.000 1.170 305 D HN 0.813 nan 8.370 nan 0.000 0.558 306 M N 2.528 122.130 119.600 0.003 0.000 2.470 306 M HA 0.265 4.745 4.480 -0.001 0.000 0.285 306 M C -1.653 174.664 176.300 0.029 0.000 1.213 306 M CA -0.797 54.516 55.300 0.021 0.000 0.901 306 M CB 2.351 34.978 32.600 0.045 0.000 1.718 306 M HN 0.100 nan 8.290 nan 0.000 0.469 307 D N 4.252 124.678 120.400 0.043 0.000 2.343 307 D HA 0.190 4.829 4.640 -0.001 0.000 0.255 307 D C -0.155 176.238 176.300 0.156 0.000 1.187 307 D CA 0.046 54.081 54.000 0.059 0.000 0.875 307 D CB 0.886 41.711 40.800 0.041 0.000 1.136 307 D HN 0.601 nan 8.370 nan 0.000 0.469 308 M N 3.436 123.095 119.600 0.098 0.000 2.475 308 M HA 0.028 4.508 4.480 -0.001 0.000 0.283 308 M C 1.328 177.664 176.300 0.059 0.000 1.165 308 M CA -0.236 55.106 55.300 0.070 0.000 0.976 308 M CB -0.744 31.858 32.600 0.004 0.000 1.428 308 M HN 0.471 nan 8.290 nan 0.000 0.495 309 N N 1.500 120.293 118.700 0.155 0.000 2.272 309 N HA -0.195 4.544 4.740 -0.001 0.000 0.185 309 N C 1.440 177.055 175.510 0.174 0.000 1.014 309 N CA 1.209 54.340 53.050 0.135 0.000 0.870 309 N CB 0.078 38.637 38.487 0.120 0.000 0.975 309 N HN 0.532 nan 8.380 nan 0.000 0.433 310 H N 0.111 119.220 119.070 0.065 0.000 2.547 310 H HA 0.042 4.597 4.556 -0.001 0.000 0.272 310 H C 1.013 176.395 175.328 0.090 0.000 0.989 310 H CA 0.383 56.467 56.048 0.061 0.000 1.214 310 H CB -0.244 29.532 29.762 0.023 0.000 1.389 310 H HN 0.349 nan 8.280 nan 0.000 0.577 311 I N -1.724 118.673 120.570 -0.287 0.000 2.908 311 I HA 0.283 4.453 4.170 -0.001 0.000 0.319 311 I C -2.353 173.786 176.117 0.036 0.000 1.471 311 I CA -1.969 59.247 61.300 -0.140 0.000 0.809 311 I CB 1.792 39.640 38.000 -0.254 0.000 2.186 311 I HN -0.268 nan 8.210 nan 0.000 0.607 312 P HA -0.134 nan 4.420 nan 0.000 0.218 312 P C 0.476 177.958 177.300 0.302 0.000 1.148 312 P CA 1.443 64.722 63.100 0.299 0.000 0.822 312 P CB 0.445 32.313 31.700 0.279 0.000 0.784 313 D N 0.385 120.863 120.400 0.131 0.000 2.106 313 D HA -0.014 4.626 4.640 -0.001 0.000 0.203 313 D C 2.258 178.504 176.300 -0.090 0.000 0.977 313 D CA 1.529 55.518 54.000 -0.018 0.000 0.844 313 D CB -1.088 39.711 40.800 -0.002 0.000 1.002 313 D HN 0.069 nan 8.370 nan 0.000 0.461 314 A N 0.996 123.755 122.820 -0.103 0.000 2.070 314 A HA -0.005 4.314 4.320 -0.001 0.000 0.220 314 A C 2.211 179.765 177.584 -0.049 0.000 1.159 314 A CA 1.827 53.690 52.037 -0.289 0.000 0.656 314 A CB -0.638 18.166 19.000 -0.325 0.000 0.800 314 A HN 0.214 nan 8.150 nan 0.000 0.453 315 A N -0.286 122.620 122.820 0.144 0.000 2.024 315 A HA -0.157 4.162 4.320 -0.001 0.000 0.220 315 A C 2.146 179.929 177.584 0.332 0.000 1.164 315 A CA 1.734 53.941 52.037 0.282 0.000 0.643 315 A CB -0.583 18.613 19.000 0.325 0.000 0.806 315 A HN 0.567 nan 8.150 nan 0.000 0.451 316 M N -0.780 118.927 119.600 0.179 0.000 2.202 316 M HA -0.132 4.347 4.480 -0.001 0.000 0.262 316 M C 2.042 178.346 176.300 0.007 0.000 1.063 316 M CA 1.869 57.156 55.300 -0.022 0.000 1.097 316 M CB -0.711 31.654 32.600 -0.391 0.000 1.382 316 M HN 0.416 nan 8.290 nan 0.000 0.413 317 T N 0.911 115.449 114.554 -0.027 0.000 2.867 317 T HA -0.043 4.306 4.350 -0.001 0.000 0.268 317 T C 1.756 176.547 174.700 0.151 0.000 1.057 317 T CA 0.887 62.980 62.100 -0.013 0.000 1.136 317 T CB -0.104 68.577 68.868 -0.311 0.000 0.874 317 T HN 0.233 nan 8.240 nan 0.000 0.466 318 I N 1.689 122.411 120.570 0.254 0.000 2.394 318 I HA -0.041 4.128 4.170 -0.001 0.000 0.251 318 I C 2.876 179.069 176.117 0.126 0.000 1.136 318 I CA 0.695 62.111 61.300 0.193 0.000 1.425 318 I CB -1.587 36.512 38.000 0.165 0.000 1.079 318 I HN 0.182 nan 8.210 nan 0.000 0.425 319 A N 1.296 124.198 122.820 0.137 0.000 1.908 319 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 319 A C 2.426 180.004 177.584 -0.009 0.000 1.181 319 A CA 2.651 54.749 52.037 0.101 0.000 0.627 319 A CB -1.026 18.089 19.000 0.193 0.000 0.818 319 A HN 0.541 nan 8.150 nan 0.000 0.445 320 T N -2.843 111.656 114.554 -0.091 0.000 2.978 320 T HA 0.296 4.646 4.350 -0.001 0.000 0.262 320 T C 1.944 176.672 174.700 0.047 0.000 1.063 320 T CA 1.140 63.137 62.100 -0.172 0.000 1.140 320 T CB -0.399 68.231 68.868 -0.398 0.000 0.886 320 T HN 0.521 nan 8.240 nan 0.000 0.470 321 A N 1.926 124.819 122.820 0.122 0.000 1.972 321 A HA 0.318 4.637 4.320 -0.001 0.000 0.219 321 A C 2.748 180.460 177.584 0.214 0.000 1.169 321 A CA 1.631 53.808 52.037 0.235 0.000 0.635 321 A CB -1.326 17.769 19.000 0.157 0.000 0.810 321 A HN 0.729 nan 8.150 nan 0.000 0.446 322 A N -0.126 122.753 122.820 0.099 0.000 2.076 322 A HA -0.080 4.240 4.320 -0.001 0.000 0.220 322 A C 2.002 179.583 177.584 -0.003 0.000 1.160 322 A CA 1.422 53.491 52.037 0.053 0.000 0.653 322 A CB -0.629 18.393 19.000 0.036 0.000 0.801 322 A HN 0.518 nan 8.150 nan 0.000 0.455 323 L N -2.308 118.863 121.223 -0.088 0.000 2.265 323 L HA -0.135 4.204 4.340 -0.001 0.000 0.215 323 L C 1.577 178.175 176.870 -0.453 0.000 1.117 323 L CA 0.993 55.639 54.840 -0.322 0.000 0.782 323 L CB -0.353 41.377 42.059 -0.550 0.000 0.914 323 L HN 0.465 nan 8.230 nan 0.000 0.441 324 F N -0.654 119.298 119.950 0.003 0.000 2.678 324 F HA 0.330 4.857 4.527 -0.001 0.000 0.305 324 F C 1.264 177.068 175.800 0.007 0.000 1.090 324 F CA -0.418 57.587 58.000 0.008 0.000 1.272 324 F CB -0.002 39.004 39.000 0.010 0.000 1.060 324 F HN -0.123 nan 8.300 nan 0.000 0.576 325 A N 0.798 123.695 122.820 0.128 0.000 2.279 325 A HA 0.424 4.743 4.320 -0.001 0.000 0.303 325 A C -0.018 177.593 177.584 0.046 0.000 1.108 325 A CA -0.643 51.444 52.037 0.083 0.000 0.830 325 A CB 0.532 19.569 19.000 0.062 0.000 1.106 325 A HN 0.166 nan 8.150 nan 0.000 0.493 326 K N 0.924 121.347 120.400 0.039 0.000 2.285 326 K HA 0.483 4.802 4.320 -0.001 0.000 0.286 326 K C 0.420 177.031 176.600 0.017 0.000 1.072 326 K CA 0.930 57.232 56.287 0.025 0.000 0.913 326 K CB -0.080 32.434 32.500 0.024 0.000 1.067 326 K HN 1.717 nan 8.250 nan 0.000 0.479 327 G N 1.963 110.771 108.800 0.012 0.000 2.566 327 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.599 327 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.599 327 G C -0.902 174.003 174.900 0.009 0.000 1.292 327 G CA -0.896 44.210 45.100 0.009 0.000 0.922 327 G HN 0.500 nan 8.290 nan 0.000 0.514 328 T N 1.539 116.099 114.554 0.009 0.000 2.771 328 T HA 0.614 4.964 4.350 -0.001 0.000 0.291 328 T C 0.407 175.116 174.700 0.015 0.000 0.954 328 T CA 0.378 62.486 62.100 0.013 0.000 1.045 328 T CB 1.205 70.081 68.868 0.014 0.000 0.917 328 T HN 0.707 nan 8.240 nan 0.000 0.484 329 T N 3.624 118.190 114.554 0.021 0.000 2.837 329 T HA 0.520 4.870 4.350 -0.001 0.000 0.285 329 T C 0.019 174.738 174.700 0.032 0.000 0.984 329 T CA -0.447 61.668 62.100 0.024 0.000 1.049 329 T CB 0.963 69.849 68.868 0.031 0.000 0.947 329 T HN 0.510 nan 8.240 nan 0.000 0.472 330 T N 4.077 118.645 114.554 0.023 0.000 2.841 330 T HA 0.526 4.876 4.350 -0.001 0.000 0.285 330 T C -0.609 174.100 174.700 0.015 0.000 0.991 330 T CA -0.625 61.492 62.100 0.029 0.000 0.966 330 T CB 0.610 69.475 68.868 -0.005 0.000 0.962 330 T HN 0.335 nan 8.240 nan 0.000 0.438 331 L N 3.770 125.001 121.223 0.014 0.000 2.298 331 L HA 0.619 4.958 4.340 -0.001 0.000 0.284 331 L C 0.377 177.214 176.870 -0.056 0.000 1.013 331 L CA -0.847 53.971 54.840 -0.036 0.000 0.824 331 L CB 1.411 43.422 42.059 -0.079 0.000 1.221 331 L HN 0.361 nan 8.230 nan 0.000 0.418 332 R N 1.740 122.214 120.500 -0.043 0.000 2.828 332 R HA 0.368 4.707 4.340 -0.001 0.000 0.264 332 R C 0.062 176.336 176.300 -0.043 0.000 1.022 332 R CA -1.031 55.057 56.100 -0.019 0.000 1.021 332 R CB 1.001 31.284 30.300 -0.029 0.000 1.163 332 R HN 0.603 nan 8.270 nan 0.000 0.494 333 N N 1.327 120.021 118.700 -0.011 0.000 2.756 333 N HA -0.151 4.589 4.740 -0.001 0.000 0.248 333 N C -0.582 174.895 175.510 -0.055 0.000 1.062 333 N CA 0.716 53.766 53.050 -0.000 0.000 0.696 333 N CB -0.854 37.648 38.487 0.026 0.000 0.946 333 N HN 0.627 nan 8.380 nan 0.000 0.548 334 I N -3.293 117.173 120.570 -0.174 0.000 3.326 334 I HA 0.221 4.391 4.170 -0.001 0.000 0.336 334 I C 1.392 177.340 176.117 -0.282 0.000 1.543 334 I CA -0.898 60.190 61.300 -0.353 0.000 1.013 334 I CB -0.234 37.198 38.000 -0.946 0.000 1.468 334 I HN 0.070 nan 8.210 nan 0.000 0.515 335 Y N 4.114 124.297 120.300 -0.194 0.000 2.139 335 Y HA -0.345 4.204 4.550 -0.000 0.000 0.282 335 Y C 2.346 178.224 175.900 -0.036 0.000 1.179 335 Y CA 2.581 60.574 58.100 -0.177 0.000 1.161 335 Y CB -0.169 38.196 38.460 -0.159 0.000 0.970 335 Y HN 0.658 nan 8.280 nan 0.000 0.511 336 N N -1.062 117.583 118.700 -0.093 0.000 2.571 336 N HA -0.199 4.541 4.740 -0.001 0.000 0.189 336 N C 1.172 176.682 175.510 0.001 0.000 1.154 336 N CA 1.031 54.016 53.050 -0.108 0.000 0.907 336 N CB -1.343 37.182 38.487 0.065 0.000 0.977 336 N HN 0.410 nan 8.380 nan 0.000 0.449 337 W N 1.638 122.812 121.300 -0.211 0.000 2.341 337 W HA -0.003 4.656 4.660 -0.001 0.000 0.283 337 W C 1.948 178.338 176.519 -0.214 0.000 1.215 337 W CA 0.771 58.012 57.345 -0.173 0.000 1.211 337 W CB -0.328 29.045 29.460 -0.144 0.000 1.131 337 W HN 0.222 nan 8.180 nan 0.000 0.552 338 R N -0.216 120.210 120.500 -0.123 0.000 2.235 338 R HA -0.038 4.301 4.340 -0.001 0.000 0.213 338 R C 1.269 177.493 176.300 -0.126 0.000 1.059 338 R CA 1.408 57.400 56.100 -0.179 0.000 0.997 338 R CB -0.447 29.622 30.300 -0.386 0.000 0.884 338 R HN 0.210 nan 8.270 nan 0.000 0.462 339 V N -2.717 117.130 119.914 -0.113 0.000 3.085 339 V HA 0.298 4.418 4.120 -0.001 0.000 0.345 339 V C 0.425 176.512 176.094 -0.012 0.000 1.397 339 V CA -0.402 61.879 62.300 -0.031 0.000 1.165 339 V CB -0.035 31.797 31.823 0.015 0.000 1.153 339 V HN -0.023 nan 8.190 nan 0.000 0.495 340 K N 0.427 120.808 120.400 -0.032 0.000 2.385 340 K HA 0.469 4.788 4.320 -0.001 0.000 0.274 340 K C 1.114 177.702 176.600 -0.020 0.000 0.981 340 K CA -0.129 56.137 56.287 -0.035 0.000 1.400 340 K CB 0.404 32.866 32.500 -0.063 0.000 2.019 340 K HN 0.037 nan 8.250 nan 0.000 0.855 341 E N 0.330 120.522 120.200 -0.015 0.000 2.160 341 E HA -0.117 4.232 4.350 -0.001 0.000 0.195 341 E C 0.493 177.106 176.600 0.022 0.000 0.991 341 E CA 1.187 57.598 56.400 0.019 0.000 0.810 341 E CB 0.118 29.863 29.700 0.075 0.000 0.742 341 E HN 0.293 nan 8.360 nan 0.000 0.466 342 T N -1.544 113.004 114.554 -0.010 0.000 2.754 342 T HA 0.112 4.462 4.350 -0.001 0.000 0.296 342 T C -1.895 172.784 174.700 -0.034 0.000 1.205 342 T CA -0.904 61.199 62.100 0.006 0.000 1.009 342 T CB 1.270 70.161 68.868 0.038 0.000 1.368 342 T HN -0.117 nan 8.240 nan 0.000 0.509 343 D N 1.120 121.513 120.400 -0.011 0.000 2.359 343 D HA 0.224 4.863 4.640 -0.001 0.000 0.250 343 D C 1.103 177.391 176.300 -0.020 0.000 1.264 343 D CA -0.033 53.965 54.000 -0.003 0.000 0.911 343 D CB 0.623 41.438 40.800 0.025 0.000 1.056 343 D HN 0.415 nan 8.370 nan 0.000 0.499 344 R N 2.678 123.151 120.500 -0.045 0.000 2.189 344 R HA 0.023 4.363 4.340 -0.001 0.000 0.218 344 R C 1.985 178.356 176.300 0.119 0.000 1.074 344 R CA 0.544 56.568 56.100 -0.126 0.000 0.991 344 R CB 0.222 30.261 30.300 -0.435 0.000 0.883 344 R HN 0.462 nan 8.270 nan 0.000 0.457 345 L N -0.556 120.840 121.223 0.288 0.000 2.056 345 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 345 L C 2.151 179.095 176.870 0.123 0.000 1.078 345 L CA 1.050 56.054 54.840 0.273 0.000 0.749 345 L CB -0.320 41.809 42.059 0.116 0.000 0.901 345 L HN 0.137 nan 8.230 nan 0.000 0.433 346 F N 0.675 120.605 119.950 -0.033 0.000 2.113 346 F HA -0.191 4.335 4.527 -0.001 0.000 0.297 346 F C 2.378 178.095 175.800 -0.139 0.000 1.103 346 F CA 1.285 59.248 58.000 -0.063 0.000 1.248 346 F CB -0.326 38.638 39.000 -0.060 0.000 0.999 346 F HN -0.012 nan 8.300 nan 0.000 0.475 347 A N 0.235 122.839 122.820 -0.360 0.000 1.873 347 A HA -0.181 4.139 4.320 -0.001 0.000 0.215 347 A C 2.196 179.505 177.584 -0.459 0.000 1.186 347 A CA 1.865 53.422 52.037 -0.800 0.000 0.616 347 A CB -0.944 17.291 19.000 -1.275 0.000 0.823 347 A HN 0.503 nan 8.150 nan 0.000 0.442 348 M N 0.389 119.864 119.600 -0.208 0.000 2.117 348 M HA -0.038 4.441 4.480 -0.001 0.000 0.262 348 M C 2.128 178.443 176.300 0.025 0.000 1.065 348 M CA 1.766 57.079 55.300 0.021 0.000 1.114 348 M CB -0.676 32.005 32.600 0.136 0.000 1.361 348 M HN 0.371 nan 8.290 nan 0.000 0.408 349 A N -1.271 121.515 122.820 -0.057 0.000 1.902 349 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 349 A C 2.203 179.701 177.584 -0.144 0.000 1.181 349 A CA 2.296 54.291 52.037 -0.070 0.000 0.623 349 A CB -1.409 17.541 19.000 -0.083 0.000 0.818 349 A HN 0.569 nan 8.150 nan 0.000 0.443 350 T N 0.096 114.455 114.554 -0.325 0.000 2.708 350 T HA -0.113 4.236 4.350 -0.001 0.000 0.266 350 T C 1.779 176.363 174.700 -0.193 0.000 1.037 350 T CA 1.585 63.488 62.100 -0.328 0.000 1.146 350 T CB -0.213 68.320 68.868 -0.559 0.000 0.865 350 T HN 0.490 nan 8.240 nan 0.000 0.435 351 E N 0.993 121.067 120.200 -0.211 0.000 2.158 351 E HA 0.111 4.460 4.350 -0.001 0.000 0.191 351 E C 2.337 178.899 176.600 -0.063 0.000 0.982 351 E CA 0.369 56.585 56.400 -0.306 0.000 0.823 351 E CB -0.430 28.771 29.700 -0.832 0.000 0.766 351 E HN 0.450 nan 8.360 nan 0.000 0.468 352 L N 0.487 121.811 121.223 0.170 0.000 2.083 352 L HA -0.143 4.197 4.340 -0.001 0.000 0.209 352 L C 2.560 179.476 176.870 0.078 0.000 1.083 352 L CA 1.141 56.121 54.840 0.233 0.000 0.752 352 L CB -0.275 41.881 42.059 0.162 0.000 0.899 352 L HN 0.035 nan 8.230 nan 0.000 0.433 353 R N 0.046 120.554 120.500 0.014 0.000 2.152 353 R HA -0.149 4.190 4.340 -0.001 0.000 0.232 353 R C 2.195 178.485 176.300 -0.016 0.000 1.117 353 R CA 1.004 57.099 56.100 -0.008 0.000 0.981 353 R CB -0.159 30.125 30.300 -0.027 0.000 0.870 353 R HN 0.325 nan 8.270 nan 0.000 0.451 354 K N 0.388 120.767 120.400 -0.035 0.000 2.209 354 K HA -0.078 4.241 4.320 -0.001 0.000 0.204 354 K C 1.709 178.286 176.600 -0.038 0.000 1.048 354 K CA 1.348 57.604 56.287 -0.052 0.000 0.940 354 K CB 0.179 32.615 32.500 -0.106 0.000 0.729 354 K HN 0.172 nan 8.250 nan 0.000 0.451 355 V N -3.971 115.939 119.914 -0.006 0.000 3.596 355 V HA 0.398 4.518 4.120 -0.001 0.000 0.289 355 V C 0.913 177.002 176.094 -0.008 0.000 1.336 355 V CA 0.445 62.743 62.300 -0.004 0.000 1.137 355 V CB 0.141 31.981 31.823 0.029 0.000 0.966 355 V HN 0.354 nan 8.190 nan 0.000 0.428 356 G N -0.415 108.381 108.800 -0.007 0.000 2.229 356 G HA2 0.019 3.979 3.960 -0.001 0.000 0.189 356 G HA3 0.019 3.979 3.960 -0.001 0.000 0.189 356 G C 0.400 175.291 174.900 -0.014 0.000 1.000 356 G CA 0.024 45.117 45.100 -0.010 0.000 0.663 356 G HN 1.436 nan 8.290 nan 0.000 0.493 357 A N 0.206 123.018 122.820 -0.013 0.000 2.386 357 A HA 0.637 4.957 4.320 -0.001 0.000 0.248 357 A C 0.364 177.947 177.584 -0.002 0.000 1.082 357 A CA 0.549 52.579 52.037 -0.013 0.000 0.789 357 A CB 0.519 19.514 19.000 -0.009 0.000 1.025 357 A HN 0.551 nan 8.150 nan 0.000 0.490 358 E N 1.026 121.227 120.200 0.001 0.000 2.174 358 E HA 0.521 4.871 4.350 -0.001 0.000 0.282 358 E C -1.485 175.124 176.600 0.015 0.000 0.992 358 E CA -0.366 56.039 56.400 0.008 0.000 0.803 358 E CB 0.909 30.616 29.700 0.010 0.000 1.090 358 E HN 0.369 nan 8.360 nan 0.000 0.396 359 V N 4.401 124.325 119.914 0.017 0.000 2.638 359 V HA 0.244 4.364 4.120 -0.001 0.000 0.306 359 V C -0.500 175.608 176.094 0.024 0.000 1.052 359 V CA -0.874 61.440 62.300 0.023 0.000 0.885 359 V CB 1.767 33.600 31.823 0.016 0.000 0.999 359 V HN 0.742 nan 8.190 nan 0.000 0.424 360 E N 3.433 123.657 120.200 0.039 0.000 2.109 360 E HA 0.265 4.615 4.350 -0.001 0.000 0.278 360 E C -0.428 176.156 176.600 -0.028 0.000 0.954 360 E CA -0.411 56.011 56.400 0.035 0.000 0.779 360 E CB 1.095 30.857 29.700 0.105 0.000 1.093 360 E HN 0.782 nan 8.360 nan 0.000 0.401 361 E N 4.080 124.244 120.200 -0.060 0.000 1.941 361 E HA 0.228 4.578 4.350 -0.001 0.000 0.275 361 E C -0.253 176.188 176.600 -0.267 0.000 1.113 361 E CA -0.408 55.920 56.400 -0.120 0.000 0.878 361 E CB 0.471 30.153 29.700 -0.030 0.000 1.070 361 E HN 0.668 nan 8.360 nan 0.000 0.399 362 G N 2.100 110.496 108.800 -0.673 0.000 2.562 362 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.275 362 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.275 362 G C 0.547 175.151 174.900 -0.493 0.000 1.196 362 G CA -0.166 44.264 45.100 -1.118 0.000 0.908 362 G HN 0.817 nan 8.290 nan 0.000 0.524 363 H N -0.502 118.393 119.070 -0.291 0.000 2.352 363 H HA -0.133 4.423 4.556 -0.001 0.000 0.299 363 H C 1.023 176.372 175.328 0.036 0.000 1.097 363 H CA 2.353 58.381 56.048 -0.033 0.000 1.311 363 H CB 0.349 30.148 29.762 0.063 0.000 1.377 363 H HN 0.481 nan 8.280 nan 0.000 0.504 364 D N -1.820 118.476 120.400 -0.173 0.000 2.692 364 D HA 0.097 4.736 4.640 -0.001 0.000 0.290 364 D C -0.666 175.609 176.300 -0.041 0.000 1.455 364 D CA -0.470 53.438 54.000 -0.153 0.000 0.796 364 D CB -1.036 39.724 40.800 -0.067 0.000 1.131 364 D HN 0.563 nan 8.370 nan 0.000 0.467 365 Y N -1.822 118.391 120.300 -0.145 0.000 2.689 365 Y HA 0.695 5.244 4.550 -0.001 0.000 0.333 365 Y C -2.016 173.798 175.900 -0.144 0.000 1.208 365 Y CA -1.746 56.248 58.100 -0.176 0.000 1.055 365 Y CB 1.338 39.743 38.460 -0.091 0.000 1.304 365 Y HN -0.062 nan 8.280 nan 0.000 0.455 366 I N 2.018 122.600 120.570 0.019 0.000 2.656 366 I HA 0.573 4.743 4.170 -0.001 0.000 0.292 366 I C -1.516 174.684 176.117 0.138 0.000 1.144 366 I CA -0.986 60.317 61.300 0.004 0.000 1.038 366 I CB 1.886 39.864 38.000 -0.037 0.000 1.244 366 I HN 0.890 nan 8.210 nan 0.000 0.420 367 R N 7.729 128.316 120.500 0.146 0.000 2.437 367 R HA 0.721 5.060 4.340 -0.001 0.000 0.310 367 R C -1.861 174.483 176.300 0.073 0.000 0.955 367 R CA -0.531 55.643 56.100 0.124 0.000 0.851 367 R CB 1.424 31.819 30.300 0.159 0.000 1.161 367 R HN 0.623 nan 8.270 nan 0.000 0.446 368 I N 3.247 123.849 120.570 0.053 0.000 2.439 368 I HA 0.259 4.429 4.170 -0.001 0.000 0.285 368 I C -0.636 175.493 176.117 0.021 0.000 1.021 368 I CA -0.582 60.740 61.300 0.035 0.000 1.091 368 I CB 2.485 40.506 38.000 0.035 0.000 1.242 368 I HN 0.527 nan 8.210 nan 0.000 0.439 369 T N 7.317 121.879 114.554 0.013 0.000 2.788 369 T HA 0.372 4.722 4.350 -0.001 0.000 0.296 369 T C -2.455 172.238 174.700 -0.012 0.000 1.009 369 T CA -1.330 60.772 62.100 0.004 0.000 0.949 369 T CB 1.163 70.036 68.868 0.009 0.000 0.946 369 T HN 0.306 nan 8.240 nan 0.000 0.453 370 P HA 0.278 nan 4.420 nan 0.000 0.272 370 P C -2.552 174.721 177.300 -0.045 0.000 1.223 370 P CA -1.354 61.713 63.100 -0.055 0.000 0.784 370 P CB -0.054 31.599 31.700 -0.079 0.000 0.923 371 P HA 0.219 nan 4.420 nan 0.000 0.278 371 P C 0.801 178.079 177.300 -0.037 0.000 1.266 371 P CA -0.271 62.806 63.100 -0.038 0.000 0.807 371 P CB 1.260 32.937 31.700 -0.038 0.000 1.094 372 E N 0.212 120.401 120.200 -0.018 0.000 2.110 372 E HA -0.124 4.226 4.350 -0.001 0.000 0.193 372 E C 0.570 177.164 176.600 -0.010 0.000 0.988 372 E CA 1.497 57.892 56.400 -0.009 0.000 0.804 372 E CB 0.121 29.822 29.700 0.001 0.000 0.745 372 E HN 0.550 nan 8.360 nan 0.000 0.458 373 K N -0.538 119.854 120.400 -0.012 0.000 2.523 373 K HA 0.412 4.731 4.320 -0.001 0.000 0.257 373 K C -0.781 175.808 176.600 -0.017 0.000 0.932 373 K CA -0.620 55.663 56.287 -0.008 0.000 0.812 373 K CB 1.383 33.892 32.500 0.015 0.000 1.326 373 K HN -0.202 nan 8.250 nan 0.000 0.433 374 L N 2.713 123.920 121.223 -0.026 0.000 2.436 374 L HA 0.286 4.626 4.340 -0.001 0.000 0.265 374 L C 0.325 177.210 176.870 0.026 0.000 1.168 374 L CA -0.627 54.199 54.840 -0.025 0.000 0.815 374 L CB 0.484 42.514 42.059 -0.049 0.000 1.109 374 L HN 0.850 nan 8.230 nan 0.000 0.462 375 N N 0.842 119.562 118.700 0.034 0.000 2.402 375 N HA 0.285 5.024 4.740 -0.001 0.000 0.294 375 N C -0.858 174.713 175.510 0.102 0.000 1.203 375 N CA -0.734 52.363 53.050 0.079 0.000 0.838 375 N CB 1.862 40.390 38.487 0.069 0.000 1.306 375 N HN 0.327 nan 8.380 nan 0.000 0.510 376 F N 0.814 120.778 119.950 0.023 0.000 2.563 376 F HA 0.407 4.933 4.527 -0.001 0.000 0.363 376 F C -0.155 175.656 175.800 0.018 0.000 1.123 376 F CA 0.024 58.039 58.000 0.025 0.000 1.307 376 F CB 0.319 39.329 39.000 0.016 0.000 1.115 376 F HN 0.732 nan 8.300 nan 0.000 0.592 377 A N 4.808 126.965 122.820 -1.105 0.000 2.587 377 A HA 0.447 4.766 4.320 -0.001 0.000 0.293 377 A C -1.290 175.653 177.584 -1.069 0.000 1.087 377 A CA -0.852 50.694 52.037 -0.818 0.000 0.692 377 A CB 1.193 19.986 19.000 -0.345 0.000 1.291 377 A HN 0.768 nan 8.150 nan 0.000 0.407 378 E N 1.772 121.654 120.200 -0.531 0.000 2.081 378 E HA 0.441 4.790 4.350 -0.001 0.000 0.281 378 E C -0.927 175.527 176.600 -0.243 0.000 0.986 378 E CA -0.520 55.709 56.400 -0.286 0.000 0.796 378 E CB 0.451 30.110 29.700 -0.068 0.000 1.085 378 E HN 0.467 nan 8.360 nan 0.000 0.398 379 I N 3.667 124.093 120.570 -0.240 0.000 2.342 379 I HA 0.255 4.424 4.170 -0.001 0.000 0.291 379 I C 0.551 176.537 176.117 -0.218 0.000 1.010 379 I CA -0.497 60.635 61.300 -0.280 0.000 1.308 379 I CB 0.660 38.464 38.000 -0.327 0.000 1.400 379 I HN 0.543 nan 8.210 nan 0.000 0.488 380 A N 4.641 127.323 122.820 -0.231 0.000 2.354 380 A HA 0.492 4.811 4.320 -0.001 0.000 0.269 380 A C 0.958 178.459 177.584 -0.139 0.000 1.109 380 A CA -0.164 51.718 52.037 -0.258 0.000 0.800 380 A CB 0.195 18.927 19.000 -0.447 0.000 1.045 380 A HN 0.847 nan 8.150 nan 0.000 0.489 381 T N -2.068 112.424 114.554 -0.104 0.000 3.044 381 T HA 0.227 4.576 4.350 -0.001 0.000 0.260 381 T C 0.102 174.947 174.700 0.241 0.000 1.019 381 T CA 0.459 62.619 62.100 0.100 0.000 0.921 381 T CB -0.639 68.255 68.868 0.044 0.000 1.053 381 T HN 0.848 nan 8.240 nan 0.000 0.533 382 Y N 2.368 122.647 120.300 -0.034 0.000 3.825 382 Y HA -0.269 4.281 4.550 -0.001 0.000 0.221 382 Y C 0.549 176.450 175.900 0.002 0.000 1.195 382 Y CA 0.357 58.452 58.100 -0.010 0.000 1.699 382 Y CB -3.075 35.382 38.460 -0.006 0.000 1.531 382 Y HN 0.367 nan 8.280 nan 0.000 0.640 383 N N -0.308 118.453 118.700 0.102 0.000 2.721 383 N HA -0.217 4.523 4.740 -0.001 0.000 0.249 383 N C -0.685 174.892 175.510 0.112 0.000 1.072 383 N CA 1.596 54.698 53.050 0.086 0.000 0.710 383 N CB -0.547 37.982 38.487 0.069 0.000 0.993 383 N HN 0.677 nan 8.380 nan 0.000 0.547 384 D N -0.604 119.874 120.400 0.131 0.000 2.440 384 D HA 0.159 4.798 4.640 -0.001 0.000 0.252 384 D C 1.416 177.792 176.300 0.126 0.000 1.180 384 D CA -0.594 53.493 54.000 0.145 0.000 0.894 384 D CB 0.302 41.138 40.800 0.061 0.000 1.111 384 D HN 0.425 nan 8.370 nan 0.000 0.544 385 H N 2.544 121.590 119.070 -0.041 0.000 2.362 385 H HA -0.177 4.379 4.556 -0.001 0.000 0.294 385 H C 1.240 176.459 175.328 -0.182 0.000 1.113 385 H CA 1.262 57.256 56.048 -0.090 0.000 1.253 385 H CB 0.144 29.869 29.762 -0.063 0.000 1.363 385 H HN 0.214 nan 8.280 nan 0.000 0.494 386 R N -0.205 119.958 120.500 -0.563 0.000 2.193 386 R HA 0.011 4.351 4.340 -0.001 0.000 0.213 386 R C 2.111 178.244 176.300 -0.279 0.000 1.055 386 R CA 0.898 56.698 56.100 -0.501 0.000 0.995 386 R CB 0.039 30.022 30.300 -0.529 0.000 0.893 386 R HN 0.396 nan 8.270 nan 0.000 0.459 387 M N 0.248 119.759 119.600 -0.150 0.000 2.132 387 M HA -0.052 4.428 4.480 -0.001 0.000 0.263 387 M C 2.413 178.761 176.300 0.081 0.000 1.065 387 M CA 1.395 56.712 55.300 0.028 0.000 1.122 387 M CB -0.867 31.763 32.600 0.049 0.000 1.365 387 M HN 0.133 nan 8.290 nan 0.000 0.411 388 A N 0.169 122.976 122.820 -0.022 0.000 1.877 388 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 388 A C 2.229 179.705 177.584 -0.181 0.000 1.186 388 A CA 1.659 53.706 52.037 0.015 0.000 0.620 388 A CB -0.555 18.485 19.000 0.068 0.000 0.822 388 A HN 0.485 nan 8.150 nan 0.000 0.443 389 M N -1.193 118.029 119.600 -0.630 0.000 2.132 389 M HA -0.152 4.328 4.480 -0.001 0.000 0.263 389 M C 2.389 178.227 176.300 -0.770 0.000 1.065 389 M CA 1.228 55.737 55.300 -1.318 0.000 1.122 389 M CB -0.644 30.540 32.600 -2.359 0.000 1.365 389 M HN 0.538 nan 8.290 nan 0.000 0.411 390 C N -0.201 118.868 119.300 -0.384 0.000 2.429 390 C HA -0.133 4.327 4.460 -0.001 0.000 0.277 390 C C 2.445 177.294 174.990 -0.235 0.000 1.262 390 C CA 0.720 59.635 59.018 -0.172 0.000 1.733 390 C CB -1.076 26.557 27.740 -0.179 0.000 2.010 390 C HN 0.440 nan 8.230 nan 0.000 0.483 391 F N 1.953 121.867 119.950 -0.060 0.000 2.661 391 F HA -0.065 4.462 4.527 -0.001 0.000 0.298 391 F C 2.600 178.437 175.800 0.061 0.000 1.137 391 F CA 1.161 59.165 58.000 0.007 0.000 1.454 391 F CB -0.404 38.587 39.000 -0.016 0.000 1.103 391 F HN 0.268 nan 8.300 nan 0.000 0.577 392 S N 0.322 116.126 115.700 0.174 0.000 2.419 392 S HA -0.202 4.268 4.470 -0.001 0.000 0.235 392 S C 1.869 176.581 174.600 0.187 0.000 1.019 392 S CA 1.038 59.390 58.200 0.253 0.000 0.982 392 S CB -0.904 62.514 63.200 0.364 0.000 0.789 392 S HN 0.483 nan 8.310 nan 0.000 0.490 393 L N 1.045 122.342 121.223 0.123 0.000 2.362 393 L HA 0.013 4.353 4.340 -0.001 0.000 0.219 393 L C 2.406 179.422 176.870 0.243 0.000 1.134 393 L CA 0.412 55.331 54.840 0.132 0.000 0.807 393 L CB -0.707 41.417 42.059 0.108 0.000 0.927 393 L HN 0.249 nan 8.230 nan 0.000 0.447 394 V N 0.592 120.648 119.914 0.237 0.000 2.568 394 V HA -0.281 3.839 4.120 -0.001 0.000 0.253 394 V C 2.620 178.891 176.094 0.294 0.000 1.072 394 V CA 1.722 64.196 62.300 0.289 0.000 1.084 394 V CB -0.773 31.162 31.823 0.187 0.000 0.676 394 V HN 0.526 nan 8.190 nan 0.000 0.469 395 A N -0.510 122.437 122.820 0.210 0.000 2.239 395 A HA 0.079 4.398 4.320 -0.001 0.000 0.209 395 A C 1.560 179.225 177.584 0.136 0.000 1.171 395 A CA 0.610 52.747 52.037 0.167 0.000 0.768 395 A CB -0.500 18.585 19.000 0.142 0.000 0.790 395 A HN 0.561 nan 8.150 nan 0.000 0.478 396 L N 1.287 122.576 121.223 0.111 0.000 2.939 396 L HA 0.147 4.486 4.340 -0.001 0.000 0.239 396 L C 0.721 177.624 176.870 0.055 0.000 1.325 396 L CA -0.062 54.755 54.840 -0.039 0.000 1.170 396 L CB -0.756 41.119 42.059 -0.306 0.000 1.538 396 L HN 0.509 nan 8.230 nan 0.000 0.452 397 S N -3.664 112.163 115.700 0.211 0.000 2.903 397 S HA 0.362 4.832 4.470 -0.001 0.000 0.314 397 S C 0.199 174.897 174.600 0.162 0.000 1.177 397 S CA -0.807 57.562 58.200 0.282 0.000 0.859 397 S CB 1.399 64.817 63.200 0.363 0.000 1.265 397 S HN 0.046 nan 8.310 nan 0.000 0.584 398 D N 0.957 121.441 120.400 0.140 0.000 2.349 398 D HA 0.188 4.828 4.640 -0.001 0.000 0.224 398 D C 0.272 176.635 176.300 0.104 0.000 1.029 398 D CA 0.756 54.817 54.000 0.101 0.000 0.879 398 D CB 0.319 41.168 40.800 0.081 0.000 0.906 398 D HN 0.497 nan 8.370 nan 0.000 0.528 399 T N 1.349 115.981 114.554 0.129 0.000 2.855 399 T HA 0.396 4.746 4.350 -0.001 0.000 0.281 399 T C -2.690 172.115 174.700 0.176 0.000 1.007 399 T CA -2.305 59.884 62.100 0.149 0.000 1.009 399 T CB 2.108 71.073 68.868 0.161 0.000 0.983 399 T HN -0.230 nan 8.240 nan 0.000 0.455 400 P HA 0.409 nan 4.420 nan 0.000 0.275 400 P C -1.098 176.374 177.300 0.287 0.000 1.266 400 P CA -0.478 62.759 63.100 0.227 0.000 0.793 400 P CB 0.802 32.635 31.700 0.222 0.000 1.074 401 V N -0.483 119.552 119.914 0.202 0.000 2.971 401 V HA 0.447 4.566 4.120 -0.001 0.000 0.309 401 V C -1.001 175.127 176.094 0.057 0.000 1.130 401 V CA -0.356 61.961 62.300 0.028 0.000 0.964 401 V CB 2.418 34.263 31.823 0.036 0.000 1.029 401 V HN 0.535 nan 8.190 nan 0.000 0.427 402 T N 7.362 121.867 114.554 -0.081 0.000 2.779 402 T HA 0.599 4.949 4.350 -0.001 0.000 0.280 402 T C -0.592 174.066 174.700 -0.070 0.000 0.987 402 T CA -0.244 61.862 62.100 0.010 0.000 0.966 402 T CB 0.833 69.793 68.868 0.153 0.000 0.933 402 T HN 0.451 nan 8.240 nan 0.000 0.442 403 I N 4.492 125.028 120.570 -0.057 0.000 2.330 403 I HA 0.344 4.513 4.170 -0.001 0.000 0.289 403 I C 0.239 176.317 176.117 -0.066 0.000 1.001 403 I CA -0.709 60.561 61.300 -0.050 0.000 1.193 403 I CB 1.115 39.109 38.000 -0.010 0.000 1.345 403 I HN 0.484 nan 8.210 nan 0.000 0.461 404 L N 5.074 126.258 121.223 -0.064 0.000 2.417 404 L HA 0.166 4.505 4.340 -0.001 0.000 0.268 404 L C 0.698 177.546 176.870 -0.036 0.000 1.158 404 L CA -0.143 54.661 54.840 -0.060 0.000 0.819 404 L CB 0.111 42.121 42.059 -0.082 0.000 1.112 404 L HN 0.622 nan 8.230 nan 0.000 0.458 405 D N 1.552 121.935 120.400 -0.029 0.000 2.697 405 D HA -0.135 4.505 4.640 -0.001 0.000 0.235 405 D C -1.360 174.960 176.300 0.034 0.000 1.167 405 D CA 0.279 54.277 54.000 -0.002 0.000 0.656 405 D CB 0.026 40.825 40.800 -0.002 0.000 1.025 405 D HN 0.353 nan 8.370 nan 0.000 0.419 406 P HA -0.192 nan 4.420 nan 0.000 0.221 406 P C 1.037 178.460 177.300 0.205 0.000 1.145 406 P CA 0.999 64.170 63.100 0.117 0.000 0.795 406 P CB 0.084 31.709 31.700 -0.124 0.000 0.775 407 K N -0.120 120.349 120.400 0.115 0.000 2.515 407 K HA -0.058 4.262 4.320 -0.001 0.000 0.196 407 K C 2.111 178.775 176.600 0.107 0.000 1.038 407 K CA 1.066 57.423 56.287 0.117 0.000 0.967 407 K CB -0.738 31.807 32.500 0.076 0.000 0.780 407 K HN 0.344 nan 8.250 nan 0.000 0.483 408 C N 0.241 119.603 119.300 0.102 0.000 2.422 408 C HA -0.057 4.403 4.460 -0.001 0.000 0.286 408 C C 2.654 177.707 174.990 0.105 0.000 1.412 408 C CA 0.811 59.884 59.018 0.091 0.000 1.786 408 C CB -1.656 26.136 27.740 0.086 0.000 1.835 408 C HN 0.466 nan 8.230 nan 0.000 0.533 409 T N -0.750 113.872 114.554 0.113 0.000 2.977 409 T HA 0.029 4.379 4.350 -0.001 0.000 0.271 409 T C 1.851 176.621 174.700 0.116 0.000 1.105 409 T CA 1.413 63.563 62.100 0.082 0.000 1.116 409 T CB -0.593 68.252 68.868 -0.038 0.000 0.878 409 T HN 0.804 nan 8.240 nan 0.000 0.509 410 A N 1.495 124.375 122.820 0.100 0.000 2.178 410 A HA 0.020 4.339 4.320 -0.001 0.000 0.218 410 A C 2.321 179.919 177.584 0.024 0.000 1.157 410 A CA 1.507 53.594 52.037 0.084 0.000 0.689 410 A CB -0.753 18.288 19.000 0.070 0.000 0.787 410 A HN 0.622 nan 8.150 nan 0.000 0.465 411 K N -0.364 120.009 120.400 -0.045 0.000 2.103 411 K HA -0.178 4.141 4.320 -0.001 0.000 0.207 411 K C 1.595 178.090 176.600 -0.174 0.000 1.048 411 K CA 2.000 58.176 56.287 -0.185 0.000 0.930 411 K CB -0.062 32.156 32.500 -0.470 0.000 0.716 411 K HN 0.640 nan 8.250 nan 0.000 0.444 412 T N -3.877 110.634 114.554 -0.071 0.000 3.041 412 T HA 0.161 4.511 4.350 -0.001 0.000 0.276 412 T C -0.125 174.681 174.700 0.178 0.000 0.948 412 T CA -0.611 61.519 62.100 0.050 0.000 0.885 412 T CB 0.474 69.429 68.868 0.145 0.000 1.175 412 T HN 0.045 nan 8.240 nan 0.000 0.529 413 F N 1.999 121.983 119.950 0.056 0.000 3.098 413 F HA 0.457 4.983 4.527 -0.001 0.000 0.403 413 F C -2.843 173.013 175.800 0.093 0.000 1.195 413 F CA -2.959 55.096 58.000 0.093 0.000 1.220 413 F CB 1.702 40.774 39.000 0.121 0.000 2.443 413 F HN -0.196 nan 8.300 nan 0.000 0.632 414 P HA -0.106 nan 4.420 nan 0.000 0.216 414 P C 0.586 178.007 177.300 0.201 0.000 1.150 414 P CA 1.532 64.763 63.100 0.218 0.000 0.837 414 P CB 0.372 32.166 31.700 0.155 0.000 0.786 415 D N -2.581 117.988 120.400 0.281 0.000 2.370 415 D HA -0.006 4.634 4.640 -0.001 0.000 0.230 415 D C 1.309 177.544 176.300 -0.108 0.000 1.143 415 D CA -0.245 53.844 54.000 0.149 0.000 0.834 415 D CB -0.793 40.130 40.800 0.206 0.000 0.944 415 D HN 0.163 nan 8.370 nan 0.000 0.504 416 Y N 0.755 120.699 120.300 -0.593 0.000 2.081 416 Y HA -0.322 4.228 4.550 -0.001 0.000 0.280 416 Y C 1.549 177.063 175.900 -0.644 0.000 1.163 416 Y CA 1.751 59.129 58.100 -1.205 0.000 1.135 416 Y CB -0.394 37.253 38.460 -1.354 0.000 0.970 416 Y HN -0.089 nan 8.280 nan 0.000 0.498 417 F N 0.458 120.211 119.950 -0.328 0.000 2.234 417 F HA -0.116 4.411 4.527 -0.001 0.000 0.299 417 F C 2.149 177.799 175.800 -0.250 0.000 1.087 417 F CA 1.540 59.361 58.000 -0.299 0.000 1.340 417 F CB -0.619 38.342 39.000 -0.065 0.000 1.031 417 F HN 0.064 nan 8.300 nan 0.000 0.500 418 E N -0.152 120.030 120.200 -0.029 0.000 2.106 418 E HA -0.154 4.195 4.350 -0.001 0.000 0.192 418 E C 2.156 178.688 176.600 -0.114 0.000 0.984 418 E CA 0.845 57.224 56.400 -0.036 0.000 0.806 418 E CB -0.457 29.242 29.700 -0.002 0.000 0.750 418 E HN 0.320 nan 8.360 nan 0.000 0.458 419 Q N -0.156 119.524 119.800 -0.200 0.000 2.079 419 Q HA -0.068 4.272 4.340 -0.001 0.000 0.200 419 Q C 2.296 178.119 176.000 -0.295 0.000 0.974 419 Q CA 0.676 56.329 55.803 -0.250 0.000 0.840 419 Q CB -0.390 28.234 28.738 -0.190 0.000 0.898 419 Q HN 0.275 nan 8.270 nan 0.000 0.430 420 L N 0.848 121.894 121.223 -0.294 0.000 2.046 420 L HA -0.075 4.265 4.340 -0.001 0.000 0.208 420 L C 2.127 178.954 176.870 -0.073 0.000 1.077 420 L CA 2.074 56.842 54.840 -0.120 0.000 0.747 420 L CB -0.804 41.072 42.059 -0.305 0.000 0.896 420 L HN 0.116 nan 8.230 nan 0.000 0.432 421 A N -0.413 122.362 122.820 -0.074 0.000 1.972 421 A HA -0.244 4.075 4.320 -0.001 0.000 0.219 421 A C 2.522 180.077 177.584 -0.049 0.000 1.169 421 A CA 1.648 53.666 52.037 -0.031 0.000 0.635 421 A CB -0.693 18.300 19.000 -0.011 0.000 0.810 421 A HN 0.534 nan 8.150 nan 0.000 0.446 422 R N 0.369 120.819 120.500 -0.085 0.000 2.105 422 R HA -0.132 4.208 4.340 -0.001 0.000 0.239 422 R C 1.736 177.985 176.300 -0.084 0.000 1.135 422 R CA 1.967 58.013 56.100 -0.089 0.000 0.967 422 R CB -0.436 29.790 30.300 -0.124 0.000 0.861 422 R HN 0.725 nan 8.270 nan 0.000 0.442 423 I N -2.027 118.488 120.570 -0.090 0.000 3.883 423 I HA 0.227 4.397 4.170 -0.001 0.000 0.326 423 I C -0.241 175.862 176.117 -0.024 0.000 1.283 423 I CA -0.280 60.983 61.300 -0.062 0.000 1.161 423 I CB 0.648 38.611 38.000 -0.062 0.000 1.012 423 I HN -0.159 nan 8.210 nan 0.000 0.421 424 S N 2.765 118.455 115.700 -0.016 0.000 2.499 424 S HA 0.360 4.830 4.470 -0.001 0.000 0.275 424 S C -0.093 174.503 174.600 -0.006 0.000 1.257 424 S CA -0.462 57.738 58.200 -0.000 0.000 1.050 424 S CB 0.633 63.839 63.200 0.010 0.000 0.937 424 S HN 0.309 nan 8.310 nan 0.000 0.490 425 Q N 1.199 120.996 119.800 -0.004 0.000 2.377 425 Q HA 0.554 4.893 4.340 -0.001 0.000 0.271 425 Q C 0.350 176.349 176.000 -0.000 0.000 1.077 425 Q CA -0.718 55.082 55.803 -0.006 0.000 0.820 425 Q CB 1.822 30.554 28.738 -0.010 0.000 1.347 425 Q HN 0.647 nan 8.270 nan 0.000 0.444 426 A N 0.348 123.168 122.820 -0.000 0.000 2.081 426 A HA 0.496 4.816 4.320 -0.001 0.000 0.214 426 A C 0.645 178.230 177.584 0.003 0.000 1.158 426 A CA 1.212 53.251 52.037 0.003 0.000 0.724 426 A CB 0.261 19.262 19.000 0.003 0.000 0.826 426 A HN 0.655 nan 8.150 nan 0.000 0.463 427 A N 0.000 122.820 122.820 -0.001 0.000 2.254 427 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 427 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 427 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 427 A HN 0.000 nan 8.150 nan 0.000 0.486