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 1r9n_1_B DATA FIRST_RESID 36 DATA SEQUENCE HHHSRKTYTL TDYLKNTYRL KLYSLRWISD HEYLYKQENN ILVFNAEYGN DATA SEQUENCE SSVFLENSTF DEFGHSINDY SISPDGQFIL LEYNYVKQWR HSYTASYDIY DATA SEQUENCE DLNKRQLITE ERIPNNTQWV TWSPVGHKLA YVWNNDIYVK IEPNLPSYRI DATA SEQUENCE TWTGKEDIIY NGITDWVYEE EVFSAYSALW WSPNGTFLAY AQFNDTEVPL DATA SEQUENCE IEYSFYSDES LQYPKTVRVP YPKAGAVNPT VKFFVVNTDS LSSVTNATSI DATA SEQUENCE QITAPASMLI GDHYLCDVTW ATQERISLQW LRRIQNYSVM DIcDYDESSG DATA SEQUENCE RWNcLVARQH IEMSTTGWVG RFRPSEPHFT LDGNSFYKII SNEEGYRHIc DATA SEQUENCE YFQIDKKDcT FITKGTWEVI GIEALTSDYL YYISNEYKGM PGGRNLYKIQ DATA SEQUENCE LSDYTKVTCL SCELNPERcQ YYSVSFSKEA KYYQLRcSGP GLPLYTLHSS DATA SEQUENCE VNDKGLRVLE DNSALDKMLQ NVQMPSKKLD FIILNETKFW YQMILPPHFD DATA SEQUENCE KSKKYPLLLD VYAGPCSQKA DTVFRLNWAT YLASTENIIV ASFDGRGSGY DATA SEQUENCE QGDKIMHAIN RRLGTFEVED QIEAARQFSK MGFVDNKRIA IWGWSYGGYV DATA SEQUENCE TSMVLGSGSG VFKcGIAVAP VSRWEYYDSV YTERYMGLPT PEDNLDHYRN DATA SEQUENCE STVMSRAENF KQVEYLLIHG TADDNVHFQQ SAQISKALVD VGVDFQAMWY DATA SEQUENCE TDEDHGIASS TAHQHIYTHM SHFIKQcFSL P 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 36 H HA 0.000 nan 4.556 nan 0.000 0.296 36 H C 0.000 175.368 175.328 0.066 0.000 0.993 36 H CA 0.000 56.031 56.048 -0.029 0.000 1.023 36 H CB 0.000 29.773 29.762 0.018 0.000 1.292 37 H N -0.921 118.233 119.070 0.139 0.000 3.010 37 H HA -0.261 4.294 4.556 -0.001 0.000 0.272 37 H C 0.401 175.831 175.328 0.170 0.000 1.151 37 H CA 1.342 57.464 56.048 0.123 0.000 1.159 37 H CB -1.530 28.293 29.762 0.100 0.000 1.295 37 H HN 0.717 nan 8.280 nan 0.000 0.344 38 H N 0.753 119.911 119.070 0.146 0.000 2.629 38 H HA 0.207 4.763 4.556 -0.001 0.000 0.357 38 H C -0.029 175.366 175.328 0.112 0.000 1.121 38 H CA 0.099 56.220 56.048 0.122 0.000 1.406 38 H CB 0.856 30.677 29.762 0.099 0.000 1.456 38 H HN 0.100 nan 8.280 nan 0.000 0.579 39 S N 4.912 120.419 115.700 -0.322 0.000 2.443 39 S HA 0.029 4.498 4.470 -0.001 0.000 0.284 39 S C 1.415 175.894 174.600 -0.203 0.000 1.206 39 S CA -0.490 57.597 58.200 -0.189 0.000 1.074 39 S CB 0.156 63.282 63.200 -0.124 0.000 0.963 39 S HN 0.665 nan 8.310 nan 0.000 0.501 40 R N 2.165 122.634 120.500 -0.053 0.000 2.404 40 R HA 0.245 4.585 4.340 -0.001 0.000 0.237 40 R C -0.212 176.114 176.300 0.043 0.000 0.907 40 R CA -0.308 55.793 56.100 0.001 0.000 1.063 40 R CB 0.172 30.490 30.300 0.029 0.000 1.134 40 R HN 0.300 nan 8.270 nan 0.000 0.529 41 K N 2.353 122.784 120.400 0.051 0.000 2.237 41 K HA 0.110 4.429 4.320 -0.001 0.000 0.270 41 K C -0.024 176.632 176.600 0.093 0.000 1.015 41 K CA 0.337 56.676 56.287 0.085 0.000 0.949 41 K CB 1.304 33.870 32.500 0.111 0.000 0.976 41 K HN 0.192 nan 8.250 nan 0.000 0.472 42 T N -1.591 113.038 114.554 0.125 0.000 2.926 42 T HA 0.216 4.566 4.350 -0.001 0.000 0.289 42 T C -0.951 173.887 174.700 0.229 0.000 1.054 42 T CA -0.794 61.397 62.100 0.151 0.000 1.015 42 T CB 0.676 69.630 68.868 0.143 0.000 1.167 42 T HN 0.490 nan 8.240 nan 0.000 0.526 43 Y N 2.751 123.127 120.300 0.126 0.000 2.504 43 Y HA 0.405 4.955 4.550 -0.001 0.000 0.351 43 Y C 0.927 176.994 175.900 0.278 0.000 0.988 43 Y CA -0.299 57.922 58.100 0.202 0.000 1.239 43 Y CB -0.051 38.484 38.460 0.126 0.000 1.128 43 Y HN 1.027 nan 8.280 nan 0.000 0.525 44 T N 2.140 116.735 114.554 0.068 0.000 2.862 44 T HA 0.120 4.470 4.350 -0.001 0.000 0.276 44 T C 0.925 175.570 174.700 -0.093 0.000 0.974 44 T CA -0.751 61.424 62.100 0.126 0.000 0.966 44 T CB 1.202 70.102 68.868 0.053 0.000 1.072 44 T HN 0.664 nan 8.240 nan 0.000 0.538 45 L N 0.859 121.871 121.223 -0.352 0.000 2.093 45 L HA 0.042 4.382 4.340 -0.001 0.000 0.208 45 L C 2.648 179.382 176.870 -0.226 0.000 1.085 45 L CA 2.056 56.558 54.840 -0.563 0.000 0.755 45 L CB -1.417 40.156 42.059 -0.809 0.000 0.904 45 L HN 0.966 nan 8.230 nan 0.000 0.435 46 T N -0.783 113.668 114.554 -0.171 0.000 2.867 46 T HA -0.139 4.211 4.350 -0.001 0.000 0.268 46 T C 1.446 176.051 174.700 -0.159 0.000 1.057 46 T CA 1.307 63.327 62.100 -0.132 0.000 1.136 46 T CB -0.335 68.477 68.868 -0.094 0.000 0.874 46 T HN 0.379 nan 8.240 nan 0.000 0.466 47 D N 0.414 120.683 120.400 -0.218 0.000 2.084 47 D HA -0.100 4.540 4.640 -0.001 0.000 0.194 47 D C 1.777 177.932 176.300 -0.241 0.000 0.990 47 D CA 1.086 54.895 54.000 -0.318 0.000 0.826 47 D CB -0.493 39.996 40.800 -0.518 0.000 0.971 47 D HN 0.379 nan 8.370 nan 0.000 0.453 48 Y N 1.479 121.562 120.300 -0.362 0.000 2.165 48 Y HA -0.149 4.401 4.550 -0.001 0.000 0.286 48 Y C 2.170 178.065 175.900 -0.009 0.000 1.155 48 Y CA 1.305 59.380 58.100 -0.041 0.000 1.164 48 Y CB -0.497 38.024 38.460 0.102 0.000 0.978 48 Y HN -0.074 nan 8.280 nan 0.000 0.513 49 L N -0.465 120.615 121.223 -0.238 0.000 2.209 49 L HA -0.075 4.265 4.340 -0.001 0.000 0.207 49 L C 1.845 178.616 176.870 -0.166 0.000 1.094 49 L CA 0.857 55.530 54.840 -0.278 0.000 0.790 49 L CB -0.341 41.608 42.059 -0.184 0.000 0.932 49 L HN -0.049 nan 8.230 nan 0.000 0.447 50 K N -0.303 120.017 120.400 -0.133 0.000 2.404 50 K HA 0.099 4.419 4.320 -0.001 0.000 0.194 50 K C 0.204 176.746 176.600 -0.098 0.000 1.023 50 K CA -0.094 56.131 56.287 -0.104 0.000 1.094 50 K CB -0.243 32.198 32.500 -0.098 0.000 0.841 50 K HN 0.165 nan 8.250 nan 0.000 0.523 51 N N 1.437 120.083 118.700 -0.090 0.000 2.738 51 N HA -0.155 4.584 4.740 -0.001 0.000 0.249 51 N C 0.105 175.575 175.510 -0.066 0.000 1.047 51 N CA 0.863 53.893 53.050 -0.033 0.000 0.707 51 N CB -0.810 37.660 38.487 -0.028 0.000 0.937 51 N HN 0.180 nan 8.380 nan 0.000 0.545 52 T N -1.012 113.440 114.554 -0.171 0.000 2.720 52 T HA -0.167 4.182 4.350 -0.001 0.000 0.268 52 T C 0.507 174.959 174.700 -0.413 0.000 1.037 52 T CA 1.389 63.261 62.100 -0.380 0.000 1.144 52 T CB -0.106 68.379 68.868 -0.638 0.000 0.864 52 T HN 0.332 nan 8.240 nan 0.000 0.444 53 Y N 1.389 121.769 120.300 0.133 0.000 2.587 53 Y HA 0.596 5.145 4.550 -0.001 0.000 0.328 53 Y C 0.204 176.217 175.900 0.188 0.000 0.980 53 Y CA -1.564 56.651 58.100 0.192 0.000 1.272 53 Y CB 0.477 39.126 38.460 0.314 0.000 1.094 53 Y HN -0.199 nan 8.280 nan 0.000 0.503 54 R N 2.884 123.531 120.500 0.245 0.000 2.207 54 R HA 0.389 4.728 4.340 -0.001 0.000 0.334 54 R C -1.253 175.153 176.300 0.177 0.000 1.013 54 R CA -1.135 55.070 56.100 0.175 0.000 0.858 54 R CB 0.258 30.616 30.300 0.097 0.000 1.094 54 R HN 0.514 nan 8.270 nan 0.000 0.457 55 L N 4.498 125.831 121.223 0.184 0.000 2.500 55 L HA 0.164 4.503 4.340 -0.001 0.000 0.272 55 L C 0.494 177.439 176.870 0.126 0.000 1.149 55 L CA 0.703 55.647 54.840 0.174 0.000 0.897 55 L CB 0.091 42.269 42.059 0.198 0.000 1.178 55 L HN 0.466 nan 8.230 nan 0.000 0.473 56 K N 3.578 124.043 120.400 0.109 0.000 2.249 56 K HA 0.448 4.768 4.320 -0.001 0.000 0.280 56 K C -0.543 176.060 176.600 0.005 0.000 1.033 56 K CA -0.519 55.800 56.287 0.054 0.000 0.946 56 K CB 0.781 33.311 32.500 0.051 0.000 1.005 56 K HN 0.310 nan 8.250 nan 0.000 0.469 57 L N 2.275 123.443 121.223 -0.092 0.000 2.335 57 L HA 0.430 4.770 4.340 -0.001 0.000 0.268 57 L C -0.788 175.808 176.870 -0.457 0.000 1.016 57 L CA -0.727 53.926 54.840 -0.311 0.000 0.805 57 L CB 0.378 42.382 42.059 -0.092 0.000 1.311 57 L HN 0.454 nan 8.230 nan 0.000 0.456 58 Y N 0.450 120.236 120.300 -0.858 0.000 2.541 58 Y HA 0.392 4.942 4.550 -0.001 0.000 0.350 58 Y C -0.427 175.371 175.900 -0.170 0.000 1.075 58 Y CA -0.712 57.134 58.100 -0.422 0.000 1.302 58 Y CB 1.330 39.427 38.460 -0.606 0.000 1.094 58 Y HN 0.498 nan 8.280 nan 0.000 0.579 59 S N 6.574 122.240 115.700 -0.056 0.000 2.410 59 S HA 0.682 5.151 4.470 -0.001 0.000 0.304 59 S C -0.859 173.736 174.600 -0.010 0.000 1.095 59 S CA -0.600 57.594 58.200 -0.010 0.000 1.089 59 S CB -0.152 63.029 63.200 -0.031 0.000 0.968 59 S HN 0.590 nan 8.310 nan 0.000 0.480 60 L N 1.918 123.113 121.223 -0.047 0.000 2.322 60 L HA 0.796 5.136 4.340 -0.001 0.000 0.269 60 L C -0.246 176.549 176.870 -0.124 0.000 1.012 60 L CA -1.024 53.738 54.840 -0.131 0.000 0.815 60 L CB 1.092 42.780 42.059 -0.618 0.000 1.295 60 L HN 0.577 nan 8.230 nan 0.000 0.438 61 R N 1.107 121.572 120.500 -0.059 0.000 2.388 61 R HA 0.353 4.693 4.340 -0.001 0.000 0.314 61 R C -1.660 174.662 176.300 0.035 0.000 0.959 61 R CA -0.329 55.776 56.100 0.008 0.000 0.851 61 R CB 1.037 31.374 30.300 0.062 0.000 1.168 61 R HN 0.668 nan 8.270 nan 0.000 0.472 62 W N 4.294 125.692 121.300 0.163 0.000 2.322 62 W HA 0.049 4.709 4.660 -0.001 0.000 0.328 62 W C 1.519 178.109 176.519 0.119 0.000 1.395 62 W CA -0.273 57.174 57.345 0.171 0.000 1.267 62 W CB 0.342 29.892 29.460 0.149 0.000 1.259 62 W HN 0.668 nan 8.180 nan 0.000 0.560 63 I N 0.017 120.792 120.570 0.342 0.000 4.139 63 I HA 0.238 4.408 4.170 -0.001 0.000 0.320 63 I C 0.883 177.101 176.117 0.169 0.000 1.290 63 I CA -0.016 61.394 61.300 0.185 0.000 1.253 63 I CB 0.034 38.075 38.000 0.069 0.000 1.122 63 I HN 0.245 nan 8.210 nan 0.000 0.421 64 S N -0.322 115.507 115.700 0.216 0.000 2.903 64 S HA 0.369 4.838 4.470 -0.001 0.000 0.314 64 S C -0.026 174.570 174.600 -0.006 0.000 1.177 64 S CA -0.242 58.007 58.200 0.082 0.000 0.859 64 S CB 1.410 64.656 63.200 0.077 0.000 1.265 64 S HN 0.068 nan 8.310 nan 0.000 0.584 65 D N -0.661 119.515 120.400 -0.375 0.000 2.340 65 D HA 0.197 4.837 4.640 -0.001 0.000 0.220 65 D C 0.820 176.959 176.300 -0.269 0.000 1.039 65 D CA 0.676 54.419 54.000 -0.428 0.000 0.866 65 D CB 0.014 40.547 40.800 -0.445 0.000 0.913 65 D HN 0.602 nan 8.370 nan 0.000 0.523 66 H N -1.923 117.344 119.070 0.328 0.000 3.794 66 H HA 0.377 4.933 4.556 -0.001 0.000 0.258 66 H C 0.028 175.513 175.328 0.263 0.000 1.120 66 H CA -0.146 56.086 56.048 0.307 0.000 1.166 66 H CB 0.954 30.863 29.762 0.245 0.000 1.517 66 H HN 0.090 nan 8.280 nan 0.000 0.615 67 E N 0.848 121.300 120.200 0.420 0.000 2.343 67 E HA 0.429 4.778 4.350 -0.001 0.000 0.270 67 E C -1.455 175.355 176.600 0.349 0.000 0.895 67 E CA -1.026 55.541 56.400 0.279 0.000 0.767 67 E CB 3.101 32.904 29.700 0.173 0.000 1.248 67 E HN 0.149 nan 8.360 nan 0.000 0.440 68 Y N -0.333 119.989 120.300 0.037 0.000 2.609 68 Y HA 0.672 5.222 4.550 -0.001 0.000 0.342 68 Y C -1.595 174.296 175.900 -0.015 0.000 1.058 68 Y CA -1.322 56.683 58.100 -0.157 0.000 1.055 68 Y CB 0.860 38.842 38.460 -0.796 0.000 1.292 68 Y HN 0.309 nan 8.280 nan 0.000 0.476 69 L N 2.734 124.076 121.223 0.199 0.000 2.325 69 L HA 0.545 4.885 4.340 -0.001 0.000 0.278 69 L C -1.375 175.708 176.870 0.355 0.000 1.023 69 L CA -0.992 53.953 54.840 0.177 0.000 0.811 69 L CB 1.793 43.865 42.059 0.022 0.000 1.249 69 L HN 0.814 nan 8.230 nan 0.000 0.431 70 Y N 2.412 122.835 120.300 0.204 0.000 2.479 70 Y HA 0.344 4.894 4.550 -0.001 0.000 0.338 70 Y C -1.203 174.752 175.900 0.091 0.000 1.055 70 Y CA -1.275 56.888 58.100 0.105 0.000 1.023 70 Y CB 1.631 40.131 38.460 0.068 0.000 1.287 70 Y HN 0.476 nan 8.280 nan 0.000 0.447 71 K N 4.643 124.642 120.400 -0.668 0.000 2.183 71 K HA 0.494 4.814 4.320 -0.001 0.000 0.274 71 K C -1.198 175.080 176.600 -0.537 0.000 1.009 71 K CA -0.955 55.072 56.287 -0.432 0.000 0.888 71 K CB 2.133 34.491 32.500 -0.236 0.000 1.078 71 K HN 0.689 nan 8.250 nan 0.000 0.459 72 Q N 2.406 122.099 119.800 -0.178 0.000 2.444 72 Q HA 0.088 4.427 4.340 -0.001 0.000 0.251 72 Q C -1.351 174.634 176.000 -0.026 0.000 0.939 72 Q CA -0.183 55.594 55.803 -0.044 0.000 0.740 72 Q CB 1.046 29.869 28.738 0.141 0.000 1.308 72 Q HN 0.765 nan 8.270 nan 0.000 0.461 73 E N 3.146 123.322 120.200 -0.039 0.000 2.271 73 E HA -0.352 3.998 4.350 -0.001 0.000 0.223 73 E C -0.207 176.370 176.600 -0.039 0.000 1.223 73 E CA 0.670 57.052 56.400 -0.030 0.000 0.704 73 E CB -1.027 28.666 29.700 -0.012 0.000 1.194 73 E HN 0.911 nan 8.360 nan 0.000 0.375 74 N N -2.499 116.167 118.700 -0.056 0.000 2.946 74 N HA -0.221 4.518 4.740 -0.001 0.000 0.223 74 N C -0.213 175.268 175.510 -0.048 0.000 0.850 74 N CA 1.799 54.821 53.050 -0.047 0.000 1.057 74 N CB -1.264 37.205 38.487 -0.029 0.000 1.020 74 N HN 0.458 nan 8.380 nan 0.000 0.616 75 N N 1.058 119.730 118.700 -0.047 0.000 2.492 75 N HA 0.293 5.032 4.740 -0.001 0.000 0.260 75 N C 0.166 175.653 175.510 -0.038 0.000 1.215 75 N CA 0.182 53.206 53.050 -0.043 0.000 0.923 75 N CB 0.738 39.207 38.487 -0.030 0.000 1.092 75 N HN 0.217 nan 8.380 nan 0.000 0.448 76 I N 2.481 123.032 120.570 -0.031 0.000 2.315 76 I HA 0.183 4.352 4.170 -0.001 0.000 0.291 76 I C -0.608 175.559 176.117 0.084 0.000 1.006 76 I CA -0.507 60.796 61.300 0.004 0.000 1.265 76 I CB 0.534 38.503 38.000 -0.051 0.000 1.387 76 I HN 0.218 nan 8.210 nan 0.000 0.475 77 L N 7.201 128.491 121.223 0.112 0.000 2.331 77 L HA 0.520 4.860 4.340 -0.001 0.000 0.275 77 L C -0.257 176.648 176.870 0.059 0.000 1.022 77 L CA -0.534 54.343 54.840 0.062 0.000 0.812 77 L CB 1.858 43.934 42.059 0.029 0.000 1.257 77 L HN 0.284 nan 8.230 nan 0.000 0.435 78 V N 3.189 123.059 119.914 -0.073 0.000 2.472 78 V HA 0.536 4.655 4.120 -0.001 0.000 0.290 78 V C -1.089 174.808 176.094 -0.328 0.000 1.037 78 V CA -0.278 61.962 62.300 -0.100 0.000 0.908 78 V CB 1.243 33.077 31.823 0.017 0.000 0.985 78 V HN 0.504 nan 8.190 nan 0.000 0.454 79 F N 5.339 125.051 119.950 -0.396 0.000 2.493 79 F HA 0.448 4.974 4.527 -0.001 0.000 0.329 79 F C 0.454 175.997 175.800 -0.428 0.000 1.126 79 F CA -0.547 57.118 58.000 -0.559 0.000 0.937 79 F CB 1.632 39.890 39.000 -1.236 0.000 1.146 79 F HN 0.492 nan 8.300 nan 0.000 0.442 80 N N 2.764 121.425 118.700 -0.064 0.000 2.402 80 N HA 0.162 4.901 4.740 -0.001 0.000 0.252 80 N C 0.688 176.190 175.510 -0.013 0.000 1.118 80 N CA 0.193 53.252 53.050 0.016 0.000 0.945 80 N CB 1.500 40.045 38.487 0.096 0.000 1.147 80 N HN 0.859 nan 8.380 nan 0.000 0.495 81 A N 3.810 126.580 122.820 -0.083 0.000 1.933 81 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 81 A C 1.942 179.342 177.584 -0.307 0.000 1.175 81 A CA 1.477 53.398 52.037 -0.193 0.000 0.628 81 A CB -0.369 18.401 19.000 -0.383 0.000 0.814 81 A HN 0.782 nan 8.150 nan 0.000 0.444 82 E N -0.724 119.287 120.200 -0.315 0.000 2.017 82 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 82 E C 1.538 177.941 176.600 -0.330 0.000 0.997 82 E CA 1.988 58.231 56.400 -0.262 0.000 0.804 82 E CB -0.458 29.066 29.700 -0.293 0.000 0.757 82 E HN 0.697 nan 8.360 nan 0.000 0.448 83 Y N -1.633 118.675 120.300 0.013 0.000 2.503 83 Y HA 0.317 4.866 4.550 -0.001 0.000 0.277 83 Y C 1.742 177.649 175.900 0.010 0.000 1.102 83 Y CA 0.617 58.724 58.100 0.012 0.000 1.261 83 Y CB 0.624 39.089 38.460 0.007 0.000 1.096 83 Y HN 0.263 nan 8.280 nan 0.000 0.546 84 G N 0.699 109.583 108.800 0.141 0.000 2.157 84 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.248 84 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.248 84 G C -0.224 174.771 174.900 0.158 0.000 0.979 84 G CA 0.087 45.271 45.100 0.139 0.000 0.650 84 G HN 0.433 nan 8.290 nan 0.000 0.529 85 N N 0.823 119.581 118.700 0.097 0.000 2.520 85 N HA 0.537 5.277 4.740 -0.001 0.000 0.273 85 N C 0.120 175.530 175.510 -0.167 0.000 1.155 85 N CA 0.515 53.559 53.050 -0.009 0.000 0.967 85 N CB 1.528 40.002 38.487 -0.022 0.000 1.092 85 N HN 0.825 nan 8.380 nan 0.000 0.457 86 S N 0.138 115.629 115.700 -0.348 0.000 2.648 86 S HA 0.823 5.293 4.470 -0.001 0.000 0.305 86 S C -0.372 174.001 174.600 -0.378 0.000 1.094 86 S CA -0.735 57.052 58.200 -0.688 0.000 0.983 86 S CB 1.295 63.612 63.200 -1.472 0.000 1.101 86 S HN 0.948 nan 8.310 nan 0.000 0.514 87 S N -0.330 115.166 115.700 -0.339 0.000 2.638 87 S HA 0.622 5.091 4.470 -0.001 0.000 0.274 87 S C -1.028 173.488 174.600 -0.140 0.000 1.157 87 S CA -0.905 57.182 58.200 -0.187 0.000 0.826 87 S CB 0.812 63.938 63.200 -0.122 0.000 1.139 87 S HN 0.828 nan 8.310 nan 0.000 0.474 88 V N 3.019 122.878 119.914 -0.091 0.000 2.397 88 V HA 0.195 4.314 4.120 -0.001 0.000 0.262 88 V C 0.797 176.879 176.094 -0.019 0.000 1.047 88 V CA -0.047 62.220 62.300 -0.055 0.000 1.003 88 V CB -0.555 31.226 31.823 -0.071 0.000 1.037 88 V HN 0.883 nan 8.190 nan 0.000 0.480 89 F N 5.613 125.498 119.950 -0.108 0.000 2.163 89 F HA 0.172 4.699 4.527 -0.001 0.000 0.297 89 F C 0.633 176.374 175.800 -0.098 0.000 1.094 89 F CA 1.227 59.174 58.000 -0.089 0.000 1.290 89 F CB 0.473 39.432 39.000 -0.068 0.000 1.017 89 F HN 0.352 nan 8.300 nan 0.000 0.483 90 L N 1.013 122.231 121.223 -0.008 0.000 2.580 90 L HA 0.270 4.609 4.340 -0.001 0.000 0.266 90 L C -0.923 175.879 176.870 -0.113 0.000 0.955 90 L CA -0.560 54.204 54.840 -0.126 0.000 0.886 90 L CB 1.646 43.676 42.059 -0.048 0.000 1.263 90 L HN -0.080 nan 8.230 nan 0.000 0.406 91 E N 2.247 122.350 120.200 -0.163 0.000 2.384 91 E HA 0.088 4.438 4.350 -0.001 0.000 0.266 91 E C 0.906 177.414 176.600 -0.153 0.000 1.012 91 E CA 0.340 56.655 56.400 -0.141 0.000 0.901 91 E CB 0.618 30.229 29.700 -0.149 0.000 0.967 91 E HN 0.677 nan 8.360 nan 0.000 0.435 92 N N 1.106 119.745 118.700 -0.102 0.000 2.417 92 N HA -0.225 4.515 4.740 -0.001 0.000 0.187 92 N C 1.056 176.509 175.510 -0.094 0.000 1.027 92 N CA 0.996 54.001 53.050 -0.076 0.000 0.891 92 N CB -0.076 38.383 38.487 -0.048 0.000 0.956 92 N HN 0.291 nan 8.380 nan 0.000 0.442 93 S N -0.893 114.725 115.700 -0.138 0.000 2.605 93 S HA 0.099 4.568 4.470 -0.001 0.000 0.217 93 S C 1.380 175.825 174.600 -0.257 0.000 0.958 93 S CA -0.162 57.951 58.200 -0.145 0.000 0.919 93 S CB 0.105 63.236 63.200 -0.115 0.000 0.780 93 S HN 0.207 nan 8.310 nan 0.000 0.507 94 T N 1.363 115.646 114.554 -0.451 0.000 2.867 94 T HA 0.098 4.448 4.350 -0.001 0.000 0.268 94 T C 0.211 174.275 174.700 -1.060 0.000 1.057 94 T CA 1.003 62.575 62.100 -0.879 0.000 1.136 94 T CB -0.397 67.654 68.868 -1.361 0.000 0.874 94 T HN 0.593 nan 8.240 nan 0.000 0.466 95 F N 1.393 121.239 119.950 -0.174 0.000 2.805 95 F HA 0.275 4.802 4.527 -0.001 0.000 0.317 95 F C 1.347 177.154 175.800 0.012 0.000 1.146 95 F CA -1.534 56.397 58.000 -0.115 0.000 1.265 95 F CB 0.050 38.885 39.000 -0.275 0.000 0.992 95 F HN 0.052 nan 8.300 nan 0.000 0.511 96 D N 0.530 120.968 120.400 0.062 0.000 2.144 96 D HA -0.208 4.432 4.640 -0.001 0.000 0.200 96 D C 1.139 177.484 176.300 0.075 0.000 0.978 96 D CA 1.226 55.260 54.000 0.057 0.000 0.833 96 D CB -0.293 40.505 40.800 -0.003 0.000 0.961 96 D HN 0.400 nan 8.370 nan 0.000 0.470 97 E N -1.236 119.007 120.200 0.072 0.000 2.365 97 E HA 0.036 4.386 4.350 -0.001 0.000 0.188 97 E C 0.524 177.214 176.600 0.149 0.000 1.102 97 E CA -0.353 56.089 56.400 0.070 0.000 0.927 97 E CB -0.341 29.384 29.700 0.042 0.000 1.073 97 E HN 0.225 nan 8.360 nan 0.000 0.467 98 F N -0.366 119.599 119.950 0.024 0.000 2.473 98 F HA 0.195 4.722 4.527 -0.001 0.000 0.294 98 F C 1.683 177.444 175.800 -0.064 0.000 1.103 98 F CA 1.303 59.322 58.000 0.031 0.000 1.442 98 F CB 0.360 39.403 39.000 0.073 0.000 1.097 98 F HN 0.103 nan 8.300 nan 0.000 0.547 99 G N -0.251 108.396 108.800 -0.254 0.000 2.199 99 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.254 99 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.254 99 G C 0.257 174.712 174.900 -0.742 0.000 0.982 99 G CA 0.421 45.228 45.100 -0.488 0.000 0.632 99 G HN 0.549 nan 8.290 nan 0.000 0.529 100 H N -0.406 118.395 119.070 -0.447 0.000 2.797 100 H HA 0.651 5.206 4.556 -0.001 0.000 0.372 100 H C -0.533 174.834 175.328 0.065 0.000 1.168 100 H CA 0.067 55.954 56.048 -0.269 0.000 1.163 100 H CB 1.754 31.109 29.762 -0.678 0.000 1.778 100 H HN 0.189 nan 8.280 nan 0.000 0.551 101 S N 2.253 118.088 115.700 0.225 0.000 2.422 101 S HA 0.241 4.710 4.470 -0.001 0.000 0.298 101 S C 0.078 174.803 174.600 0.208 0.000 1.118 101 S CA -0.879 57.432 58.200 0.184 0.000 1.083 101 S CB -0.472 62.802 63.200 0.124 0.000 0.971 101 S HN 0.330 nan 8.310 nan 0.000 0.478 102 I N 5.489 126.147 120.570 0.148 0.000 2.517 102 I HA 0.089 4.258 4.170 -0.001 0.000 0.285 102 I C 1.486 177.641 176.117 0.063 0.000 1.106 102 I CA 0.082 61.435 61.300 0.090 0.000 1.402 102 I CB 0.025 38.011 38.000 -0.023 0.000 1.399 102 I HN 0.747 nan 8.210 nan 0.000 0.535 103 N N 4.413 123.142 118.700 0.050 0.000 2.173 103 N HA -0.084 4.655 4.740 -0.001 0.000 0.184 103 N C 0.180 175.651 175.510 -0.065 0.000 1.025 103 N CA 1.341 54.362 53.050 -0.048 0.000 0.852 103 N CB 0.379 38.797 38.487 -0.114 0.000 0.998 103 N HN 0.750 nan 8.380 nan 0.000 0.427 104 D N -2.991 117.400 120.400 -0.015 0.000 2.665 104 D HA 0.226 4.866 4.640 -0.001 0.000 0.287 104 D C -1.630 174.732 176.300 0.104 0.000 1.266 104 D CA -0.564 53.437 54.000 0.002 0.000 0.830 104 D CB 0.638 41.387 40.800 -0.085 0.000 1.356 104 D HN 0.088 nan 8.370 nan 0.000 0.437 105 Y N -1.376 118.942 120.300 0.030 0.000 2.609 105 Y HA 0.809 5.359 4.550 -0.001 0.000 0.342 105 Y C -1.175 174.805 175.900 0.135 0.000 1.058 105 Y CA -0.968 57.172 58.100 0.067 0.000 1.055 105 Y CB 1.820 40.308 38.460 0.046 0.000 1.292 105 Y HN 0.151 nan 8.280 nan 0.000 0.476 106 S N 1.820 117.726 115.700 0.342 0.000 2.668 106 S HA 0.594 5.063 4.470 -0.001 0.000 0.277 106 S C -1.457 173.465 174.600 0.537 0.000 1.170 106 S CA -0.497 57.916 58.200 0.355 0.000 0.994 106 S CB 0.428 63.848 63.200 0.367 0.000 1.051 106 S HN 0.636 nan 8.310 nan 0.000 0.484 107 I N 4.077 124.867 120.570 0.366 0.000 2.396 107 I HA 0.287 4.456 4.170 -0.001 0.000 0.292 107 I C 0.782 176.769 176.117 -0.217 0.000 0.999 107 I CA -0.110 61.300 61.300 0.184 0.000 1.310 107 I CB 1.743 39.860 38.000 0.194 0.000 1.404 107 I HN 0.705 nan 8.210 nan 0.000 0.496 108 S N 6.019 121.331 115.700 -0.646 0.000 2.562 108 S HA 0.188 4.657 4.470 -0.001 0.000 0.281 108 S C -1.794 172.529 174.600 -0.462 0.000 1.333 108 S CA -0.928 56.532 58.200 -1.233 0.000 1.052 108 S CB 0.692 62.993 63.200 -1.498 0.000 0.884 108 S HN 0.417 nan 8.310 nan 0.000 0.506 109 P HA -0.173 nan 4.420 nan 0.000 0.218 109 P C 0.693 177.952 177.300 -0.068 0.000 1.150 109 P CA 1.666 64.694 63.100 -0.120 0.000 0.841 109 P CB -0.120 31.526 31.700 -0.090 0.000 0.784 110 D N -2.422 117.934 120.400 -0.074 0.000 2.342 110 D HA 0.110 4.749 4.640 -0.001 0.000 0.221 110 D C 1.335 177.629 176.300 -0.010 0.000 1.101 110 D CA 0.256 54.253 54.000 -0.005 0.000 0.837 110 D CB -1.151 39.685 40.800 0.060 0.000 0.938 110 D HN 0.162 nan 8.370 nan 0.000 0.508 111 G N 0.813 109.598 108.800 -0.025 0.000 2.200 111 G HA2 -0.430 3.530 3.960 -0.001 0.000 0.267 111 G HA3 -0.430 3.530 3.960 -0.001 0.000 0.267 111 G C 0.951 175.838 174.900 -0.022 0.000 0.993 111 G CA 0.921 46.045 45.100 0.041 0.000 0.701 111 G HN 0.488 nan 8.290 nan 0.000 0.524 112 Q N -1.782 117.929 119.800 -0.148 0.000 2.302 112 Q HA 0.340 4.680 4.340 -0.001 0.000 0.202 112 Q C 0.276 175.879 176.000 -0.662 0.000 0.936 112 Q CA 0.622 56.173 55.803 -0.419 0.000 0.886 112 Q CB 0.404 28.814 28.738 -0.546 0.000 0.986 112 Q HN 0.561 nan 8.270 nan 0.000 0.487 113 F N -0.391 119.473 119.950 -0.143 0.000 2.588 113 F HA 0.497 5.024 4.527 -0.001 0.000 0.314 113 F C -0.547 175.295 175.800 0.069 0.000 1.069 113 F CA -1.244 56.733 58.000 -0.040 0.000 0.931 113 F CB 1.757 40.742 39.000 -0.025 0.000 1.260 113 F HN -0.182 nan 8.300 nan 0.000 0.465 114 I N 3.113 123.965 120.570 0.470 0.000 2.509 114 I HA 0.569 4.738 4.170 -0.001 0.000 0.293 114 I C -1.837 174.579 176.117 0.498 0.000 1.020 114 I CA -1.048 60.533 61.300 0.468 0.000 1.088 114 I CB 1.557 39.792 38.000 0.392 0.000 1.267 114 I HN 0.540 nan 8.210 nan 0.000 0.430 115 L N 8.278 129.826 121.223 0.542 0.000 2.275 115 L HA 0.551 4.891 4.340 -0.001 0.000 0.288 115 L C -1.433 175.579 176.870 0.238 0.000 1.046 115 L CA -0.094 54.973 54.840 0.378 0.000 0.805 115 L CB 1.117 43.379 42.059 0.338 0.000 1.193 115 L HN 0.528 nan 8.230 nan 0.000 0.426 116 L N 5.058 126.343 121.223 0.103 0.000 2.305 116 L HA 0.542 4.882 4.340 -0.001 0.000 0.284 116 L C -0.168 176.735 176.870 0.055 0.000 1.013 116 L CA -0.413 54.398 54.840 -0.049 0.000 0.819 116 L CB 1.553 43.323 42.059 -0.481 0.000 1.227 116 L HN 0.601 nan 8.230 nan 0.000 0.417 117 E N 3.776 123.984 120.200 0.014 0.000 2.156 117 E HA 0.454 4.804 4.350 -0.001 0.000 0.279 117 E C -1.555 175.030 176.600 -0.024 0.000 0.965 117 E CA -0.510 55.759 56.400 -0.218 0.000 0.789 117 E CB 1.080 30.732 29.700 -0.080 0.000 1.098 117 E HN 0.478 nan 8.360 nan 0.000 0.397 118 Y N 1.676 121.825 120.300 -0.252 0.000 2.829 118 Y HA 0.418 4.968 4.550 -0.001 0.000 0.322 118 Y C -0.061 175.787 175.900 -0.087 0.000 1.357 118 Y CA -1.546 56.504 58.100 -0.083 0.000 1.081 118 Y CB 0.272 38.756 38.460 0.039 0.000 1.339 118 Y HN 0.477 nan 8.280 nan 0.000 0.469 119 N N -0.549 118.172 118.700 0.036 0.000 2.710 119 N HA -0.317 4.422 4.740 -0.001 0.000 0.249 119 N C -0.829 174.663 175.510 -0.029 0.000 1.059 119 N CA 1.147 54.178 53.050 -0.033 0.000 0.720 119 N CB -1.682 36.698 38.487 -0.178 0.000 0.983 119 N HN 0.831 nan 8.380 nan 0.000 0.544 120 Y N 0.294 120.546 120.300 -0.081 0.000 2.721 120 Y HA 0.195 4.744 4.550 -0.001 0.000 0.329 120 Y C 0.034 175.923 175.900 -0.019 0.000 1.211 120 Y CA 0.123 58.189 58.100 -0.056 0.000 1.512 120 Y CB 0.627 39.010 38.460 -0.128 0.000 1.249 120 Y HN -0.006 nan 8.280 nan 0.000 0.549 121 V N 8.174 127.730 119.914 -0.596 0.000 2.419 121 V HA 0.184 4.303 4.120 -0.001 0.000 0.287 121 V C -0.254 175.445 176.094 -0.658 0.000 1.017 121 V CA -1.468 60.522 62.300 -0.517 0.000 0.844 121 V CB 1.279 32.964 31.823 -0.230 0.000 1.011 121 V HN 0.748 nan 8.190 nan 0.000 0.429 122 K N 3.512 123.474 120.400 -0.729 0.000 2.448 122 K HA 0.144 4.464 4.320 -0.001 0.000 0.278 122 K C 0.476 176.919 176.600 -0.261 0.000 1.009 122 K CA 0.363 56.427 56.287 -0.371 0.000 0.995 122 K CB 1.044 33.497 32.500 -0.079 0.000 0.917 122 K HN 0.820 nan 8.250 nan 0.000 0.481 123 Q N 3.010 122.643 119.800 -0.280 0.000 2.429 123 Q HA 0.148 4.487 4.340 -0.001 0.000 0.230 123 Q C 0.038 175.834 176.000 -0.340 0.000 0.970 123 Q CA -0.210 55.239 55.803 -0.591 0.000 0.778 123 Q CB 0.089 28.274 28.738 -0.922 0.000 2.016 123 Q HN 0.718 nan 8.270 nan 0.000 0.543 124 W N -0.041 121.251 121.300 -0.015 0.000 1.941 124 W HA 0.390 5.049 4.660 -0.001 0.000 0.629 124 W C 1.776 178.279 176.519 -0.027 0.000 1.517 124 W CA -0.791 56.570 57.345 0.026 0.000 1.502 124 W CB -0.144 29.305 29.460 -0.019 0.000 3.266 124 W HN 0.210 nan 8.180 nan 0.000 0.765 125 R N -0.557 120.027 120.500 0.139 0.000 2.092 125 R HA -0.128 4.212 4.340 -0.001 0.000 0.231 125 R C 1.644 177.766 176.300 -0.297 0.000 1.119 125 R CA 1.620 57.623 56.100 -0.162 0.000 0.970 125 R CB -0.315 29.744 30.300 -0.402 0.000 0.864 125 R HN 0.508 nan 8.270 nan 0.000 0.440 126 H N -1.471 117.679 119.070 0.132 0.000 2.927 126 H HA 0.165 4.721 4.556 -0.001 0.000 0.255 126 H C 0.547 175.977 175.328 0.169 0.000 0.974 126 H CA 0.401 56.545 56.048 0.161 0.000 1.199 126 H CB 0.340 30.168 29.762 0.110 0.000 1.447 126 H HN 0.108 nan 8.280 nan 0.000 0.467 127 S N 1.406 117.104 115.700 -0.003 0.000 2.592 127 S HA 0.412 4.881 4.470 -0.001 0.000 0.271 127 S C -0.321 174.190 174.600 -0.149 0.000 1.326 127 S CA -0.528 57.367 58.200 -0.508 0.000 1.024 127 S CB 0.792 63.134 63.200 -1.430 0.000 0.921 127 S HN 0.457 nan 8.310 nan 0.000 0.527 128 Y N -2.206 117.976 120.300 -0.197 0.000 2.702 128 Y HA 0.670 5.220 4.550 -0.001 0.000 0.336 128 Y C -0.721 175.179 175.900 0.001 0.000 1.203 128 Y CA -0.932 57.065 58.100 -0.171 0.000 1.072 128 Y CB 0.572 38.946 38.460 -0.144 0.000 1.327 128 Y HN 0.870 nan 8.280 nan 0.000 0.456 129 T N 0.009 114.608 114.554 0.075 0.000 2.942 129 T HA 1.005 5.354 4.350 -0.001 0.000 0.289 129 T C -0.544 174.245 174.700 0.148 0.000 1.044 129 T CA -0.154 62.004 62.100 0.097 0.000 1.023 129 T CB 1.690 70.576 68.868 0.030 0.000 1.123 129 T HN 1.905 nan 8.240 nan 0.000 0.512 130 A N 0.905 123.778 122.820 0.089 0.000 2.601 130 A HA 0.726 5.046 4.320 -0.001 0.000 0.291 130 A C -0.406 176.963 177.584 -0.358 0.000 1.075 130 A CA -0.946 51.003 52.037 -0.148 0.000 0.671 130 A CB 1.124 20.012 19.000 -0.187 0.000 1.277 130 A HN 0.867 nan 8.150 nan 0.000 0.417 131 S N -0.584 114.679 115.700 -0.728 0.000 2.646 131 S HA 0.788 5.258 4.470 -0.001 0.000 0.276 131 S C -1.373 172.588 174.600 -1.064 0.000 1.222 131 S CA 0.023 57.704 58.200 -0.866 0.000 1.014 131 S CB 0.507 62.898 63.200 -1.349 0.000 0.991 131 S HN 0.462 nan 8.310 nan 0.000 0.533 132 Y N 0.056 120.147 120.300 -0.348 0.000 2.470 132 Y HA 0.417 4.966 4.550 -0.001 0.000 0.341 132 Y C -0.476 175.440 175.900 0.027 0.000 1.021 132 Y CA -0.883 57.141 58.100 -0.126 0.000 1.025 132 Y CB 1.840 40.168 38.460 -0.219 0.000 1.266 132 Y HN 0.511 nan 8.280 nan 0.000 0.448 133 D N 2.721 123.279 120.400 0.265 0.000 2.527 133 D HA 0.591 5.231 4.640 -0.001 0.000 0.233 133 D C -0.990 175.383 176.300 0.122 0.000 1.063 133 D CA -0.363 53.752 54.000 0.191 0.000 0.880 133 D CB 2.809 43.757 40.800 0.248 0.000 1.457 133 D HN 0.389 nan 8.370 nan 0.000 0.475 134 I N 1.537 122.186 120.570 0.133 0.000 2.433 134 I HA 0.264 4.433 4.170 -0.001 0.000 0.292 134 I C -1.031 175.258 176.117 0.288 0.000 1.001 134 I CA -0.935 60.485 61.300 0.200 0.000 1.119 134 I CB 1.624 39.700 38.000 0.126 0.000 1.289 134 I HN 0.208 nan 8.210 nan 0.000 0.438 135 Y N 5.388 125.820 120.300 0.219 0.000 2.328 135 Y HA 0.295 4.844 4.550 -0.001 0.000 0.336 135 Y C -0.106 175.975 175.900 0.300 0.000 0.960 135 Y CA -0.762 57.481 58.100 0.238 0.000 1.134 135 Y CB 1.054 39.666 38.460 0.253 0.000 1.166 135 Y HN 0.500 nan 8.280 nan 0.000 0.464 136 D N 6.205 126.538 120.400 -0.112 0.000 2.346 136 D HA 0.025 4.665 4.640 -0.001 0.000 0.260 136 D C 0.745 176.775 176.300 -0.451 0.000 1.252 136 D CA 0.551 54.427 54.000 -0.207 0.000 0.895 136 D CB 0.957 41.668 40.800 -0.148 0.000 1.097 136 D HN 0.878 nan 8.370 nan 0.000 0.489 137 L N 3.777 124.810 121.223 -0.318 0.000 2.395 137 L HA -0.057 4.282 4.340 -0.001 0.000 0.218 137 L C 1.811 178.536 176.870 -0.242 0.000 1.130 137 L CA 0.382 55.112 54.840 -0.182 0.000 0.826 137 L CB -0.069 41.911 42.059 -0.132 0.000 0.941 137 L HN 0.348 nan 8.230 nan 0.000 0.451 138 N N -0.369 118.140 118.700 -0.318 0.000 2.356 138 N HA -0.004 4.736 4.740 -0.001 0.000 0.178 138 N C 1.191 176.580 175.510 -0.201 0.000 1.075 138 N CA 0.628 53.530 53.050 -0.246 0.000 0.889 138 N CB 0.458 38.786 38.487 -0.266 0.000 0.999 138 N HN 0.327 nan 8.380 nan 0.000 0.464 139 K N 0.334 120.595 120.400 -0.231 0.000 2.402 139 K HA 0.263 4.583 4.320 -0.001 0.000 0.204 139 K C -0.366 176.113 176.600 -0.203 0.000 1.056 139 K CA -0.225 55.955 56.287 -0.179 0.000 1.069 139 K CB 1.195 33.607 32.500 -0.147 0.000 0.888 139 K HN -0.060 nan 8.250 nan 0.000 0.546 140 R N 1.432 121.756 120.500 -0.294 0.000 3.205 140 R HA -0.208 4.131 4.340 -0.001 0.000 0.249 140 R C -0.780 175.331 176.300 -0.314 0.000 0.937 140 R CA 0.650 56.585 56.100 -0.274 0.000 0.641 140 R CB -1.907 28.366 30.300 -0.046 0.000 1.114 140 R HN 0.376 nan 8.270 nan 0.000 0.451 141 Q N 0.412 119.810 119.800 -0.670 0.000 2.313 141 Q HA 0.287 4.626 4.340 -0.001 0.000 0.260 141 Q C -0.912 174.951 176.000 -0.228 0.000 0.972 141 Q CA -0.883 54.767 55.803 -0.255 0.000 0.886 141 Q CB 1.487 30.156 28.738 -0.115 0.000 1.373 141 Q HN 0.068 nan 8.270 nan 0.000 0.416 142 L N 3.770 125.080 121.223 0.145 0.000 2.559 142 L HA 0.139 4.478 4.340 -0.001 0.000 0.274 142 L C 0.069 177.017 176.870 0.129 0.000 1.205 142 L CA 0.917 55.909 54.840 0.254 0.000 0.907 142 L CB -0.044 42.227 42.059 0.353 0.000 1.153 142 L HN 0.698 nan 8.230 nan 0.000 0.490 143 I N 3.836 124.478 120.570 0.120 0.000 2.517 143 I HA -0.042 4.127 4.170 -0.001 0.000 0.285 143 I C 1.238 177.401 176.117 0.076 0.000 1.106 143 I CA 0.274 61.622 61.300 0.080 0.000 1.402 143 I CB 0.704 38.742 38.000 0.064 0.000 1.399 143 I HN 0.735 nan 8.210 nan 0.000 0.535 144 T N 0.784 115.370 114.554 0.054 0.000 3.044 144 T HA 0.270 4.620 4.350 -0.001 0.000 0.260 144 T C 0.400 175.107 174.700 0.012 0.000 1.019 144 T CA -0.400 61.726 62.100 0.045 0.000 0.921 144 T CB -0.072 68.826 68.868 0.050 0.000 1.053 144 T HN 0.484 nan 8.240 nan 0.000 0.533 145 E N 2.367 122.568 120.200 0.002 0.000 2.216 145 E HA 0.322 4.671 4.350 -0.001 0.000 0.279 145 E C -0.510 176.066 176.600 -0.040 0.000 0.997 145 E CA -0.831 55.559 56.400 -0.017 0.000 0.817 145 E CB 0.624 30.318 29.700 -0.010 0.000 1.096 145 E HN 0.187 nan 8.360 nan 0.000 0.393 146 E N 1.727 121.891 120.200 -0.059 0.000 2.197 146 E HA -0.262 4.088 4.350 -0.001 0.000 0.184 146 E C -0.674 175.855 176.600 -0.119 0.000 1.439 146 E CA 0.743 57.088 56.400 -0.092 0.000 0.688 146 E CB -1.191 28.459 29.700 -0.082 0.000 1.090 146 E HN 0.470 nan 8.360 nan 0.000 0.341 147 R N 0.113 120.535 120.500 -0.129 0.000 2.582 147 R HA 0.373 4.712 4.340 -0.001 0.000 0.271 147 R C 1.096 177.226 176.300 -0.282 0.000 1.078 147 R CA -0.590 55.420 56.100 -0.151 0.000 1.127 147 R CB 0.606 30.851 30.300 -0.091 0.000 1.038 147 R HN 0.211 nan 8.270 nan 0.000 0.500 148 I N 5.049 125.407 120.570 -0.352 0.000 2.683 148 I HA -0.004 4.165 4.170 -0.001 0.000 0.286 148 I C -1.497 174.303 176.117 -0.529 0.000 1.175 148 I CA -1.206 59.714 61.300 -0.635 0.000 1.429 148 I CB 0.260 37.879 38.000 -0.635 0.000 1.371 148 I HN 0.377 nan 8.210 nan 0.000 0.569 149 P HA 0.079 nan 4.420 nan 0.000 0.273 149 P C -0.886 176.196 177.300 -0.363 0.000 1.250 149 P CA -0.420 62.287 63.100 -0.655 0.000 0.793 149 P CB 0.461 31.358 31.700 -1.338 0.000 1.011 150 N N 0.822 119.397 118.700 -0.208 0.000 2.399 150 N HA 0.008 4.747 4.740 -0.001 0.000 0.250 150 N C 0.317 175.908 175.510 0.135 0.000 1.272 150 N CA 0.122 53.130 53.050 -0.070 0.000 0.928 150 N CB -0.608 37.850 38.487 -0.048 0.000 1.158 150 N HN 0.427 nan 8.380 nan 0.000 0.463 151 N N -1.821 116.944 118.700 0.107 0.000 2.776 151 N HA -0.157 4.582 4.740 -0.001 0.000 0.249 151 N C -1.057 174.625 175.510 0.287 0.000 1.111 151 N CA 0.643 53.795 53.050 0.169 0.000 0.711 151 N CB -1.321 37.268 38.487 0.171 0.000 1.065 151 N HN 0.454 nan 8.380 nan 0.000 0.556 152 T N 0.216 114.940 114.554 0.283 0.000 2.884 152 T HA 0.129 4.479 4.350 -0.001 0.000 0.298 152 T C 1.390 176.238 174.700 0.246 0.000 0.998 152 T CA -0.038 62.248 62.100 0.311 0.000 1.124 152 T CB 1.355 70.322 68.868 0.165 0.000 0.931 152 T HN 0.171 nan 8.240 nan 0.000 0.531 153 Q N 1.455 121.389 119.800 0.223 0.000 2.339 153 Q HA 0.195 4.534 4.340 -0.001 0.000 0.205 153 Q C -0.006 176.146 176.000 0.253 0.000 0.925 153 Q CA 0.274 56.223 55.803 0.244 0.000 0.898 153 Q CB 0.895 29.749 28.738 0.193 0.000 1.013 153 Q HN 0.693 nan 8.270 nan 0.000 0.504 154 W N -0.075 121.168 121.300 -0.096 0.000 3.645 154 W HA 0.432 5.091 4.660 -0.001 0.000 0.285 154 W C -2.310 174.098 176.519 -0.185 0.000 1.266 154 W CA -0.612 56.630 57.345 -0.172 0.000 1.212 154 W CB 1.112 30.418 29.460 -0.256 0.000 1.306 154 W HN -0.368 nan 8.180 nan 0.000 0.552 155 V N 3.305 122.594 119.914 -1.042 0.000 2.841 155 V HA 0.725 4.845 4.120 -0.001 0.000 0.310 155 V C -0.475 175.035 176.094 -0.974 0.000 1.090 155 V CA -0.652 61.122 62.300 -0.876 0.000 0.930 155 V CB 1.820 32.981 31.823 -1.103 0.000 1.014 155 V HN 0.479 nan 8.190 nan 0.000 0.425 156 T N 2.940 117.195 114.554 -0.499 0.000 3.295 156 T HA 0.452 4.801 4.350 -0.001 0.000 0.331 156 T C -1.403 173.290 174.700 -0.011 0.000 1.142 156 T CA -0.343 61.635 62.100 -0.203 0.000 1.078 156 T CB 0.597 69.561 68.868 0.161 0.000 1.150 156 T HN 0.525 nan 8.240 nan 0.000 0.465 157 W N 3.730 125.044 121.300 0.022 0.000 2.158 157 W HA 0.391 5.050 4.660 -0.001 0.000 0.339 157 W C 1.336 177.638 176.519 -0.362 0.000 1.294 157 W CA -0.552 56.740 57.345 -0.088 0.000 1.231 157 W CB 0.498 29.920 29.460 -0.062 0.000 1.143 157 W HN 0.793 nan 8.180 nan 0.000 0.571 158 S N 1.960 117.260 115.700 -0.666 0.000 2.569 158 S HA 0.014 4.483 4.470 -0.001 0.000 0.274 158 S C -1.748 172.602 174.600 -0.418 0.000 1.353 158 S CA -0.865 56.549 58.200 -1.310 0.000 1.023 158 S CB 0.582 62.961 63.200 -1.368 0.000 0.876 158 S HN 0.303 nan 8.310 nan 0.000 0.540 159 P HA 0.005 nan 4.420 nan 0.000 0.218 159 P C 0.365 177.619 177.300 -0.077 0.000 1.148 159 P CA 0.961 64.021 63.100 -0.067 0.000 0.822 159 P CB -0.187 31.507 31.700 -0.010 0.000 0.784 160 V N -6.619 113.210 119.914 -0.141 0.000 3.001 160 V HA 0.887 5.006 4.120 -0.001 0.000 0.314 160 V C 0.499 176.496 176.094 -0.162 0.000 1.099 160 V CA -0.381 61.851 62.300 -0.113 0.000 0.989 160 V CB 0.948 32.721 31.823 -0.083 0.000 1.040 160 V HN 0.419 nan 8.190 nan 0.000 0.434 161 G N 2.071 110.801 108.800 -0.118 0.000 2.552 161 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.265 161 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.265 161 G C 0.174 175.012 174.900 -0.103 0.000 1.234 161 G CA 0.705 45.716 45.100 -0.148 0.000 0.944 161 G HN 2.547 nan 8.290 nan 0.000 0.568 162 H N -0.631 118.431 119.070 -0.014 0.000 3.074 162 H HA 0.431 4.987 4.556 -0.001 0.000 0.227 162 H C 0.205 175.685 175.328 0.253 0.000 1.365 162 H CA -0.210 55.895 56.048 0.095 0.000 1.078 162 H CB -0.283 29.551 29.762 0.120 0.000 2.347 162 H HN 0.519 nan 8.280 nan 0.000 0.567 163 K N 1.218 121.621 120.400 0.005 0.000 2.258 163 K HA 0.332 4.651 4.320 -0.001 0.000 0.264 163 K C -0.683 175.998 176.600 0.135 0.000 1.007 163 K CA -0.702 55.594 56.287 0.015 0.000 0.941 163 K CB 1.302 33.666 32.500 -0.227 0.000 0.966 163 K HN -0.002 nan 8.250 nan 0.000 0.480 164 L N 1.322 122.669 121.223 0.208 0.000 2.386 164 L HA 0.522 4.862 4.340 -0.001 0.000 0.271 164 L C -1.141 175.935 176.870 0.345 0.000 0.993 164 L CA -0.401 54.508 54.840 0.115 0.000 0.819 164 L CB 1.657 43.651 42.059 -0.109 0.000 1.294 164 L HN 0.784 nan 8.230 nan 0.000 0.414 165 A N 4.034 127.053 122.820 0.333 0.000 2.343 165 A HA 0.796 5.116 4.320 -0.001 0.000 0.316 165 A C -1.664 175.933 177.584 0.022 0.000 1.104 165 A CA -0.391 51.714 52.037 0.114 0.000 0.768 165 A CB 1.011 19.988 19.000 -0.038 0.000 1.213 165 A HN 0.677 nan 8.150 nan 0.000 0.456 166 Y N -0.335 119.914 120.300 -0.084 0.000 2.588 166 Y HA 0.763 5.312 4.550 -0.001 0.000 0.343 166 Y C -1.163 174.745 175.900 0.014 0.000 1.065 166 Y CA -1.589 56.439 58.100 -0.120 0.000 1.038 166 Y CB 1.159 39.477 38.460 -0.238 0.000 1.297 166 Y HN 0.381 nan 8.280 nan 0.000 0.467 167 V N 2.311 122.342 119.914 0.196 0.000 2.459 167 V HA 0.381 4.501 4.120 -0.001 0.000 0.295 167 V C -1.424 174.880 176.094 0.349 0.000 1.029 167 V CA -0.644 61.759 62.300 0.172 0.000 0.874 167 V CB 1.309 33.149 31.823 0.028 0.000 0.985 167 V HN 0.887 nan 8.190 nan 0.000 0.438 168 W N 5.022 126.416 121.300 0.158 0.000 3.132 168 W HA 0.464 5.124 4.660 -0.001 0.000 0.337 168 W C 0.221 176.796 176.519 0.094 0.000 1.082 168 W CA -0.723 56.683 57.345 0.103 0.000 1.242 168 W CB 1.207 30.688 29.460 0.036 0.000 1.354 168 W HN 0.792 nan 8.180 nan 0.000 0.461 169 N N 4.983 123.314 118.700 -0.614 0.000 2.735 169 N HA -0.329 4.410 4.740 -0.001 0.000 0.248 169 N C -0.052 175.303 175.510 -0.258 0.000 1.083 169 N CA 0.981 53.683 53.050 -0.581 0.000 0.703 169 N CB -0.982 36.948 38.487 -0.928 0.000 1.005 169 N HN 0.705 nan 8.380 nan 0.000 0.550 170 N N -1.487 117.132 118.700 -0.134 0.000 2.850 170 N HA -0.142 4.597 4.740 -0.001 0.000 0.249 170 N C -1.640 173.816 175.510 -0.091 0.000 1.060 170 N CA 1.542 54.541 53.050 -0.085 0.000 0.825 170 N CB -0.526 37.872 38.487 -0.148 0.000 1.132 170 N HN 0.510 nan 8.380 nan 0.000 0.564 171 D N -0.060 120.294 120.400 -0.077 0.000 2.481 171 D HA 0.476 5.116 4.640 -0.001 0.000 0.244 171 D C 0.424 176.593 176.300 -0.219 0.000 1.057 171 D CA -0.426 53.459 54.000 -0.191 0.000 0.848 171 D CB 1.366 42.012 40.800 -0.256 0.000 1.388 171 D HN 0.021 nan 8.370 nan 0.000 0.475 172 I N 1.673 121.958 120.570 -0.476 0.000 2.472 172 I HA 0.247 4.416 4.170 -0.001 0.000 0.290 172 I C -0.621 175.061 176.117 -0.724 0.000 1.016 172 I CA -0.354 60.640 61.300 -0.510 0.000 1.348 172 I CB 0.548 38.154 38.000 -0.657 0.000 1.417 172 I HN 0.177 nan 8.210 nan 0.000 0.521 173 Y N 3.774 123.701 120.300 -0.622 0.000 2.457 173 Y HA 0.547 5.096 4.550 -0.001 0.000 0.343 173 Y C -0.510 175.047 175.900 -0.571 0.000 0.994 173 Y CA -0.904 56.781 58.100 -0.692 0.000 1.031 173 Y CB 2.159 39.903 38.460 -1.194 0.000 1.246 173 Y HN 0.113 nan 8.280 nan 0.000 0.449 174 V N 3.587 123.444 119.914 -0.095 0.000 2.495 174 V HA 0.442 4.561 4.120 -0.001 0.000 0.298 174 V C -0.793 175.437 176.094 0.228 0.000 1.031 174 V CA -1.335 61.010 62.300 0.075 0.000 0.871 174 V CB 1.763 33.646 31.823 0.100 0.000 0.988 174 V HN 0.618 nan 8.190 nan 0.000 0.432 175 K N 4.820 125.355 120.400 0.225 0.000 2.339 175 K HA 0.507 4.826 4.320 -0.001 0.000 0.264 175 K C 0.396 177.135 176.600 0.231 0.000 0.986 175 K CA -0.724 55.690 56.287 0.211 0.000 0.866 175 K CB 1.938 34.516 32.500 0.131 0.000 1.103 175 K HN 0.416 nan 8.250 nan 0.000 0.441 176 I N 1.220 121.950 120.570 0.267 0.000 2.286 176 I HA -0.089 4.081 4.170 -0.001 0.000 0.245 176 I C 0.533 176.747 176.117 0.162 0.000 1.104 176 I CA 1.510 62.932 61.300 0.203 0.000 1.397 176 I CB -0.175 37.959 38.000 0.225 0.000 1.072 176 I HN 0.599 nan 8.210 nan 0.000 0.417 177 E N 0.072 120.366 120.200 0.157 0.000 2.256 177 E HA 0.277 4.626 4.350 -0.001 0.000 0.267 177 E C -1.916 174.691 176.600 0.012 0.000 0.892 177 E CA -1.926 54.555 56.400 0.134 0.000 0.775 177 E CB 1.625 31.405 29.700 0.134 0.000 1.207 177 E HN -0.112 nan 8.360 nan 0.000 0.420 178 P HA -0.103 nan 4.420 nan 0.000 0.223 178 P C 0.719 177.944 177.300 -0.125 0.000 1.151 178 P CA 1.088 64.058 63.100 -0.217 0.000 0.787 178 P CB 0.276 31.637 31.700 -0.565 0.000 0.788 179 N N -1.600 117.052 118.700 -0.079 0.000 2.236 179 N HA 0.023 4.763 4.740 -0.001 0.000 0.196 179 N C 0.071 175.566 175.510 -0.026 0.000 1.114 179 N CA 0.234 53.263 53.050 -0.035 0.000 0.859 179 N CB -0.186 38.301 38.487 -0.001 0.000 0.982 179 N HN 0.017 nan 8.380 nan 0.000 0.493 180 L N 1.362 122.570 121.223 -0.023 0.000 2.375 180 L HA 0.603 4.942 4.340 -0.001 0.000 0.268 180 L C -2.072 174.755 176.870 -0.072 0.000 1.058 180 L CA -2.138 52.684 54.840 -0.031 0.000 0.803 180 L CB 0.840 42.898 42.059 -0.001 0.000 1.212 180 L HN -0.126 nan 8.230 nan 0.000 0.451 181 P HA 0.026 nan 4.420 nan 0.000 0.267 181 P C -0.529 176.634 177.300 -0.229 0.000 1.201 181 P CA 0.120 63.124 63.100 -0.161 0.000 0.775 181 P CB 0.435 32.024 31.700 -0.185 0.000 0.854 182 S N 0.880 116.493 115.700 -0.145 0.000 2.601 182 S HA 0.291 4.760 4.470 -0.001 0.000 0.271 182 S C -0.556 173.935 174.600 -0.182 0.000 1.305 182 S CA -0.083 58.077 58.200 -0.067 0.000 1.022 182 S CB -0.084 63.184 63.200 0.113 0.000 0.940 182 S HN 0.222 nan 8.310 nan 0.000 0.525 183 Y N 1.325 121.654 120.300 0.049 0.000 2.353 183 Y HA 0.353 4.903 4.550 -0.001 0.000 0.340 183 Y C 0.810 176.635 175.900 -0.126 0.000 0.972 183 Y CA -0.588 57.513 58.100 0.000 0.000 1.157 183 Y CB 0.577 39.036 38.460 -0.002 0.000 1.157 183 Y HN 0.444 nan 8.280 nan 0.000 0.495 184 R N 4.024 124.461 120.500 -0.106 0.000 2.316 184 R HA 0.146 4.485 4.340 -0.001 0.000 0.314 184 R C 0.238 176.256 176.300 -0.470 0.000 1.069 184 R CA 0.040 55.748 56.100 -0.655 0.000 0.959 184 R CB 0.400 30.105 30.300 -0.992 0.000 0.987 184 R HN 0.774 nan 8.270 nan 0.000 0.446 185 I N 2.144 122.360 120.570 -0.590 0.000 2.429 185 I HA -0.053 4.117 4.170 -0.001 0.000 0.247 185 I C 1.309 177.219 176.117 -0.344 0.000 1.099 185 I CA 1.097 62.172 61.300 -0.374 0.000 1.422 185 I CB -0.802 36.937 38.000 -0.436 0.000 1.112 185 I HN 0.568 nan 8.210 nan 0.000 0.430 186 T N -3.707 110.518 114.554 -0.548 0.000 2.912 186 T HA 0.401 4.750 4.350 -0.001 0.000 0.288 186 T C -0.587 173.856 174.700 -0.428 0.000 1.030 186 T CA -0.497 61.393 62.100 -0.350 0.000 1.020 186 T CB 2.000 70.645 68.868 -0.372 0.000 1.056 186 T HN 0.203 nan 8.240 nan 0.000 0.480 187 W N 0.291 121.481 121.300 -0.183 0.000 2.518 187 W HA 0.240 4.899 4.660 -0.001 0.000 0.352 187 W C 1.814 178.280 176.519 -0.088 0.000 0.952 187 W CA -0.124 57.148 57.345 -0.121 0.000 1.624 187 W CB 0.411 29.818 29.460 -0.089 0.000 1.135 187 W HN 0.939 nan 8.180 nan 0.000 0.540 188 T N -3.181 111.415 114.554 0.070 0.000 3.022 188 T HA 0.293 4.642 4.350 -0.001 0.000 0.250 188 T C 1.214 175.910 174.700 -0.006 0.000 1.060 188 T CA 0.214 62.338 62.100 0.040 0.000 1.013 188 T CB -0.040 68.847 68.868 0.032 0.000 0.982 188 T HN -0.025 nan 8.240 nan 0.000 0.508 189 G N 1.251 110.021 108.800 -0.050 0.000 2.340 189 G HA2 0.413 4.372 3.960 -0.001 0.000 0.245 189 G HA3 0.413 4.372 3.960 -0.001 0.000 0.245 189 G C -0.704 174.134 174.900 -0.104 0.000 1.294 189 G CA -0.401 44.647 45.100 -0.087 0.000 0.896 189 G HN 0.512 nan 8.290 nan 0.000 0.522 190 K N 1.776 122.089 120.400 -0.144 0.000 2.588 190 K HA 0.149 4.469 4.320 -0.001 0.000 0.250 190 K C -0.292 176.182 176.600 -0.210 0.000 0.972 190 K CA -0.648 55.555 56.287 -0.139 0.000 0.821 190 K CB 1.717 34.168 32.500 -0.083 0.000 1.249 190 K HN 0.626 nan 8.250 nan 0.000 0.442 191 E N 3.170 123.261 120.200 -0.181 0.000 2.652 191 E HA -0.149 4.200 4.350 -0.001 0.000 0.255 191 E C -0.584 175.923 176.600 -0.155 0.000 0.952 191 E CA 1.043 57.338 56.400 -0.175 0.000 0.947 191 E CB 0.247 29.881 29.700 -0.111 0.000 0.912 191 E HN 0.647 nan 8.360 nan 0.000 0.489 192 D N 2.234 122.517 120.400 -0.194 0.000 2.978 192 D HA -0.245 4.395 4.640 -0.001 0.000 0.205 192 D C 0.557 176.847 176.300 -0.018 0.000 1.093 192 D CA 1.630 55.626 54.000 -0.006 0.000 1.006 192 D CB -1.018 39.832 40.800 0.084 0.000 1.116 192 D HN 0.499 nan 8.370 nan 0.000 0.419 193 I N -0.908 119.549 120.570 -0.188 0.000 3.623 193 I HA 0.105 4.274 4.170 -0.001 0.000 0.253 193 I C 0.547 176.640 176.117 -0.041 0.000 1.144 193 I CA 0.067 61.344 61.300 -0.038 0.000 1.461 193 I CB 0.646 38.636 38.000 -0.017 0.000 1.575 193 I HN -0.152 nan 8.210 nan 0.000 0.445 194 I N 1.396 121.863 120.570 -0.173 0.000 2.389 194 I HA 0.272 4.441 4.170 -0.001 0.000 0.288 194 I C -1.492 174.536 176.117 -0.148 0.000 0.999 194 I CA -0.406 60.867 61.300 -0.046 0.000 1.129 194 I CB 0.956 38.960 38.000 0.007 0.000 1.288 194 I HN 0.067 nan 8.210 nan 0.000 0.444 195 Y N 4.569 124.968 120.300 0.165 0.000 2.328 195 Y HA 0.370 4.920 4.550 -0.001 0.000 0.333 195 Y C 0.078 176.064 175.900 0.144 0.000 0.958 195 Y CA -0.693 57.512 58.100 0.174 0.000 1.167 195 Y CB 1.221 39.867 38.460 0.311 0.000 1.151 195 Y HN 0.470 nan 8.280 nan 0.000 0.470 196 N N 1.451 120.242 118.700 0.152 0.000 2.417 196 N HA 0.462 5.201 4.740 -0.001 0.000 0.274 196 N C 0.690 176.171 175.510 -0.049 0.000 0.987 196 N CA 0.129 53.202 53.050 0.038 0.000 0.912 196 N CB 1.656 40.056 38.487 -0.145 0.000 1.177 196 N HN 0.906 nan 8.380 nan 0.000 0.490 197 G N 1.562 110.357 108.800 -0.009 0.000 2.212 197 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.266 197 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.266 197 G C 0.127 174.909 174.900 -0.198 0.000 0.978 197 G CA 0.841 45.858 45.100 -0.138 0.000 0.632 197 G HN 0.617 nan 8.290 nan 0.000 0.537 198 I N -1.237 119.281 120.570 -0.087 0.000 2.740 198 I HA 0.828 4.997 4.170 -0.001 0.000 0.303 198 I C 0.475 176.618 176.117 0.044 0.000 1.044 198 I CA -0.623 60.522 61.300 -0.258 0.000 1.064 198 I CB 2.009 39.675 38.000 -0.557 0.000 1.249 198 I HN 0.169 nan 8.210 nan 0.000 0.433 199 T N -0.332 114.154 114.554 -0.113 0.000 2.874 199 T HA 0.364 4.713 4.350 -0.001 0.000 0.281 199 T C -0.124 174.288 174.700 -0.480 0.000 0.994 199 T CA -0.641 61.220 62.100 -0.398 0.000 1.015 199 T CB 1.160 69.921 68.868 -0.178 0.000 1.028 199 T HN 0.784 nan 8.240 nan 0.000 0.523 200 D N -0.229 119.689 120.400 -0.803 0.000 2.469 200 D HA 0.044 4.683 4.640 -0.001 0.000 0.278 200 D C 1.049 177.302 176.300 -0.078 0.000 1.231 200 D CA -1.050 52.573 54.000 -0.629 0.000 1.075 200 D CB -0.098 40.351 40.800 -0.585 0.000 1.121 200 D HN 0.704 nan 8.370 nan 0.000 0.571 201 W N -0.081 121.188 121.300 -0.053 0.000 2.333 201 W HA -0.235 4.425 4.660 -0.001 0.000 0.316 201 W C 2.145 178.576 176.519 -0.148 0.000 1.215 201 W CA 3.064 60.361 57.345 -0.079 0.000 1.278 201 W CB -0.395 28.962 29.460 -0.173 0.000 1.154 201 W HN 0.200 nan 8.180 nan 0.000 0.486 202 V N -1.761 118.248 119.914 0.159 0.000 2.358 202 V HA -0.304 3.816 4.120 -0.001 0.000 0.246 202 V C 1.797 177.709 176.094 -0.303 0.000 1.047 202 V CA 1.752 64.011 62.300 -0.068 0.000 1.035 202 V CB -1.780 29.973 31.823 -0.116 0.000 0.658 202 V HN 0.262 nan 8.190 nan 0.000 0.452 203 Y N 1.202 121.328 120.300 -0.290 0.000 2.200 203 Y HA -0.163 4.386 4.550 -0.001 0.000 0.290 203 Y C 2.873 178.641 175.900 -0.220 0.000 1.137 203 Y CA 2.221 60.125 58.100 -0.327 0.000 1.163 203 Y CB -0.178 37.972 38.460 -0.516 0.000 0.988 203 Y HN 0.326 nan 8.280 nan 0.000 0.518 204 E N 0.249 120.407 120.200 -0.069 0.000 2.058 204 E HA -0.321 4.029 4.350 -0.001 0.000 0.194 204 E C 2.001 178.547 176.600 -0.090 0.000 0.997 204 E CA 1.767 58.153 56.400 -0.024 0.000 0.801 204 E CB -0.027 29.670 29.700 -0.005 0.000 0.746 204 E HN 0.443 nan 8.360 nan 0.000 0.450 205 E N -0.197 119.770 120.200 -0.388 0.000 2.102 205 E HA -0.106 4.243 4.350 -0.001 0.000 0.190 205 E C 1.635 178.105 176.600 -0.216 0.000 0.971 205 E CA 1.236 57.389 56.400 -0.413 0.000 0.821 205 E CB 0.239 29.295 29.700 -1.073 0.000 0.777 205 E HN 0.201 nan 8.360 nan 0.000 0.460 206 E N -0.677 119.367 120.200 -0.261 0.000 2.372 206 E HA 0.102 4.452 4.350 -0.001 0.000 0.201 206 E C 1.826 178.281 176.600 -0.241 0.000 0.938 206 E CA 0.487 56.785 56.400 -0.171 0.000 0.944 206 E CB 0.826 30.423 29.700 -0.172 0.000 0.937 206 E HN 0.188 nan 8.360 nan 0.000 0.495 207 V N -0.056 119.637 119.914 -0.367 0.000 2.635 207 V HA 0.023 4.143 4.120 -0.001 0.000 0.233 207 V C 1.593 177.485 176.094 -0.338 0.000 1.097 207 V CA 0.889 62.886 62.300 -0.505 0.000 1.134 207 V CB -0.394 30.889 31.823 -0.901 0.000 0.841 207 V HN 0.015 nan 8.190 nan 0.000 0.496 208 F N 0.588 120.542 119.950 0.007 0.000 2.776 208 F HA 0.294 4.821 4.527 -0.001 0.000 0.300 208 F C 1.612 177.369 175.800 -0.071 0.000 1.116 208 F CA 0.013 58.036 58.000 0.039 0.000 1.375 208 F CB -0.609 38.467 39.000 0.127 0.000 1.109 208 F HN 0.073 nan 8.300 nan 0.000 0.585 209 S N 0.625 116.334 115.700 0.015 0.000 3.486 209 S HA 0.008 4.478 4.470 -0.001 0.000 0.371 209 S C 0.091 174.273 174.600 -0.697 0.000 1.001 209 S CA 0.481 58.562 58.200 -0.198 0.000 1.164 209 S CB -1.560 61.593 63.200 -0.078 0.000 0.911 209 S HN 0.663 nan 8.310 nan 0.000 0.472 210 A N -0.744 121.841 122.820 -0.392 0.000 2.599 210 A HA 0.609 4.928 4.320 -0.001 0.000 0.294 210 A C -0.303 177.241 177.584 -0.066 0.000 1.055 210 A CA -0.423 51.418 52.037 -0.327 0.000 0.683 210 A CB 0.274 19.113 19.000 -0.268 0.000 1.278 210 A HN 0.323 nan 8.150 nan 0.000 0.412 211 Y N 1.414 121.559 120.300 -0.258 0.000 2.337 211 Y HA 0.051 4.601 4.550 -0.001 0.000 0.293 211 Y C 1.647 177.248 175.900 -0.499 0.000 1.123 211 Y CA 1.259 59.198 58.100 -0.268 0.000 1.201 211 Y CB 0.290 38.633 38.460 -0.196 0.000 1.011 211 Y HN 0.718 nan 8.280 nan 0.000 0.545 212 S N 0.543 115.691 115.700 -0.921 0.000 2.549 212 S HA 0.331 4.801 4.470 -0.001 0.000 0.283 212 S C 0.036 174.123 174.600 -0.854 0.000 1.320 212 S CA 0.139 57.597 58.200 -1.237 0.000 1.058 212 S CB 0.810 63.016 63.200 -1.658 0.000 0.882 212 S HN 0.390 nan 8.310 nan 0.000 0.498 213 A N 5.991 128.335 122.820 -0.793 0.000 3.129 213 A HA 0.547 4.866 4.320 -0.001 0.000 0.282 213 A C -0.633 176.330 177.584 -1.034 0.000 0.948 213 A CA -0.469 51.042 52.037 -0.877 0.000 1.027 213 A CB 0.002 18.978 19.000 -0.040 0.000 1.123 213 A HN 0.730 nan 8.150 nan 0.000 0.485 214 L N 0.586 120.994 121.223 -1.357 0.000 2.438 214 L HA 0.542 4.881 4.340 -0.001 0.000 0.270 214 L C -1.318 175.079 176.870 -0.788 0.000 0.972 214 L CA -0.440 53.955 54.840 -0.742 0.000 0.831 214 L CB 2.015 43.841 42.059 -0.388 0.000 1.273 214 L HN 0.527 nan 8.230 nan 0.000 0.405 215 W N 2.919 124.257 121.300 0.064 0.000 2.517 215 W HA 0.227 4.887 4.660 -0.001 0.000 0.301 215 W C -0.904 175.854 176.519 0.399 0.000 1.002 215 W CA -1.043 56.465 57.345 0.272 0.000 1.415 215 W CB 1.180 30.837 29.460 0.329 0.000 1.275 215 W HN 0.490 nan 8.180 nan 0.000 0.413 216 W N 2.539 124.033 121.300 0.323 0.000 2.193 216 W HA 0.117 4.777 4.660 -0.001 0.000 0.338 216 W C 1.393 177.777 176.519 -0.225 0.000 1.310 216 W CA 0.601 58.013 57.345 0.111 0.000 1.243 216 W CB 0.669 30.161 29.460 0.054 0.000 1.165 216 W HN 0.169 nan 8.180 nan 0.000 0.566 217 S N 2.916 118.397 115.700 -0.366 0.000 2.600 217 S HA 0.145 4.615 4.470 -0.001 0.000 0.265 217 S C -1.719 172.598 174.600 -0.472 0.000 1.325 217 S CA -1.053 56.367 58.200 -1.300 0.000 1.002 217 S CB 0.860 63.351 63.200 -1.182 0.000 0.921 217 S HN 0.298 nan 8.310 nan 0.000 0.554 218 P HA -0.143 nan 4.420 nan 0.000 0.216 218 P C 0.763 178.013 177.300 -0.084 0.000 1.150 218 P CA 1.552 64.591 63.100 -0.102 0.000 0.843 218 P CB -0.228 31.462 31.700 -0.017 0.000 0.787 219 N N -2.026 116.606 118.700 -0.113 0.000 2.214 219 N HA 0.148 4.888 4.740 -0.001 0.000 0.214 219 N C 1.029 176.457 175.510 -0.138 0.000 1.132 219 N CA 0.266 53.252 53.050 -0.106 0.000 0.856 219 N CB -0.798 37.640 38.487 -0.082 0.000 1.020 219 N HN 0.125 nan 8.380 nan 0.000 0.509 220 G N -0.528 108.203 108.800 -0.114 0.000 2.155 220 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.257 220 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.257 220 G C 0.920 175.862 174.900 0.071 0.000 0.983 220 G CA 0.950 46.033 45.100 -0.030 0.000 0.676 220 G HN 0.386 nan 8.290 nan 0.000 0.528 221 T N -0.157 114.322 114.554 -0.125 0.000 2.652 221 T HA 0.100 4.449 4.350 -0.001 0.000 0.267 221 T C 0.879 175.415 174.700 -0.273 0.000 1.039 221 T CA 1.448 63.349 62.100 -0.331 0.000 1.153 221 T CB -0.093 68.355 68.868 -0.700 0.000 0.863 221 T HN 0.300 nan 8.240 nan 0.000 0.428 222 F N 0.439 120.435 119.950 0.076 0.000 2.422 222 F HA 0.605 5.131 4.527 -0.001 0.000 0.333 222 F C -0.186 175.675 175.800 0.102 0.000 1.095 222 F CA -1.853 56.223 58.000 0.126 0.000 1.038 222 F CB 1.074 40.224 39.000 0.250 0.000 1.156 222 F HN -0.090 nan 8.300 nan 0.000 0.483 223 L N 3.260 124.602 121.223 0.198 0.000 2.318 223 L HA 0.755 5.095 4.340 -0.001 0.000 0.277 223 L C -0.430 176.507 176.870 0.112 0.000 1.008 223 L CA -0.634 54.144 54.840 -0.104 0.000 0.846 223 L CB 0.439 42.151 42.059 -0.578 0.000 1.220 223 L HN 0.662 nan 8.230 nan 0.000 0.423 224 A N 5.138 128.110 122.820 0.254 0.000 2.331 224 A HA 0.666 4.985 4.320 -0.001 0.000 0.283 224 A C -1.221 176.419 177.584 0.094 0.000 1.142 224 A CA -0.208 51.867 52.037 0.063 0.000 0.812 224 A CB 0.224 19.325 19.000 0.168 0.000 1.074 224 A HN 0.824 nan 8.150 nan 0.000 0.497 225 Y N -1.004 119.064 120.300 -0.386 0.000 2.571 225 Y HA 0.758 5.307 4.550 -0.001 0.000 0.341 225 Y C -0.221 175.485 175.900 -0.324 0.000 1.076 225 Y CA -0.991 56.977 58.100 -0.220 0.000 1.029 225 Y CB 1.048 39.385 38.460 -0.206 0.000 1.308 225 Y HN 0.839 nan 8.280 nan 0.000 0.461 226 A N 2.672 125.544 122.820 0.088 0.000 2.303 226 A HA 0.589 4.908 4.320 -0.001 0.000 0.317 226 A C -0.970 176.501 177.584 -0.188 0.000 1.149 226 A CA -0.796 51.166 52.037 -0.126 0.000 0.822 226 A CB 1.443 20.377 19.000 -0.110 0.000 1.131 226 A HN 0.819 nan 8.150 nan 0.000 0.493 227 Q N 1.296 120.921 119.800 -0.291 0.000 2.333 227 Q HA 0.601 4.941 4.340 -0.001 0.000 0.267 227 Q C -1.980 173.766 176.000 -0.424 0.000 1.012 227 Q CA -0.386 55.337 55.803 -0.134 0.000 0.824 227 Q CB 1.006 29.904 28.738 0.266 0.000 1.290 227 Q HN 0.598 nan 8.270 nan 0.000 0.449 228 F N 2.277 122.354 119.950 0.211 0.000 2.450 228 F HA 0.442 4.969 4.527 -0.001 0.000 0.332 228 F C 0.403 176.382 175.800 0.297 0.000 1.093 228 F CA -0.914 57.200 58.000 0.190 0.000 1.003 228 F CB 1.382 40.427 39.000 0.075 0.000 1.151 228 F HN 0.437 nan 8.300 nan 0.000 0.474 229 N N 1.529 120.470 118.700 0.401 0.000 2.448 229 N HA 0.251 4.990 4.740 -0.001 0.000 0.279 229 N C -1.222 174.470 175.510 0.304 0.000 1.025 229 N CA -0.433 52.800 53.050 0.305 0.000 0.898 229 N CB 1.254 39.860 38.487 0.199 0.000 1.303 229 N HN 0.569 nan 8.380 nan 0.000 0.495 230 D N 1.412 122.002 120.400 0.317 0.000 2.501 230 D HA 0.166 4.806 4.640 -0.001 0.000 0.226 230 D C 1.099 177.512 176.300 0.188 0.000 1.198 230 D CA 0.023 54.192 54.000 0.281 0.000 0.830 230 D CB 0.626 41.659 40.800 0.388 0.000 1.014 230 D HN 0.459 nan 8.370 nan 0.000 0.496 231 T N 0.368 115.010 114.554 0.148 0.000 2.653 231 T HA -0.212 4.138 4.350 -0.001 0.000 0.268 231 T C 1.209 175.962 174.700 0.088 0.000 1.035 231 T CA 1.384 63.545 62.100 0.102 0.000 1.154 231 T CB -0.029 68.889 68.868 0.083 0.000 0.862 231 T HN 0.309 nan 8.240 nan 0.000 0.441 232 E N 0.269 120.523 120.200 0.090 0.000 2.558 232 E HA 0.207 4.557 4.350 -0.001 0.000 0.205 232 E C -0.594 176.055 176.600 0.083 0.000 1.006 232 E CA -0.238 56.206 56.400 0.074 0.000 0.961 232 E CB 0.772 30.508 29.700 0.060 0.000 1.044 232 E HN 0.183 nan 8.360 nan 0.000 0.465 233 V N 3.723 123.702 119.914 0.108 0.000 2.529 233 V HA 0.066 4.185 4.120 -0.001 0.000 0.292 233 V C -1.951 174.203 176.094 0.100 0.000 1.028 233 V CA -1.208 61.161 62.300 0.115 0.000 1.074 233 V CB 0.016 31.931 31.823 0.153 0.000 0.958 233 V HN 0.073 nan 8.190 nan 0.000 0.481 234 P HA 0.343 nan 4.420 nan 0.000 0.274 234 P C -0.808 176.536 177.300 0.073 0.000 1.237 234 P CA -0.396 62.745 63.100 0.068 0.000 0.793 234 P CB 0.554 32.291 31.700 0.061 0.000 0.977 235 L N 1.712 122.956 121.223 0.035 0.000 2.307 235 L HA 0.460 4.799 4.340 -0.001 0.000 0.284 235 L C 0.334 177.165 176.870 -0.064 0.000 1.023 235 L CA -1.063 53.781 54.840 0.007 0.000 0.810 235 L CB 1.077 43.133 42.059 -0.006 0.000 1.231 235 L HN 0.279 nan 8.230 nan 0.000 0.423 236 I N 2.650 123.134 120.570 -0.143 0.000 2.441 236 I HA 0.167 4.337 4.170 -0.001 0.000 0.287 236 I C -0.165 175.817 176.117 -0.225 0.000 1.049 236 I CA 0.426 61.538 61.300 -0.313 0.000 1.381 236 I CB 0.573 38.094 38.000 -0.799 0.000 1.409 236 I HN 0.575 nan 8.210 nan 0.000 0.523 237 E N 7.478 127.570 120.200 -0.180 0.000 2.222 237 E HA 0.515 4.865 4.350 -0.001 0.000 0.267 237 E C -1.723 174.838 176.600 -0.065 0.000 0.884 237 E CA -0.604 55.693 56.400 -0.172 0.000 0.764 237 E CB 1.996 31.618 29.700 -0.131 0.000 1.169 237 E HN 0.572 nan 8.360 nan 0.000 0.413 238 Y N -1.842 118.374 120.300 -0.139 0.000 2.609 238 Y HA 0.502 5.052 4.550 -0.001 0.000 0.336 238 Y C -0.719 175.109 175.900 -0.121 0.000 1.129 238 Y CA -1.308 56.717 58.100 -0.125 0.000 1.040 238 Y CB 0.750 39.143 38.460 -0.111 0.000 1.310 238 Y HN 0.197 nan 8.280 nan 0.000 0.460 239 S N 1.940 117.626 115.700 -0.024 0.000 2.565 239 S HA 0.423 4.893 4.470 -0.001 0.000 0.276 239 S C -1.324 173.101 174.600 -0.291 0.000 1.326 239 S CA -0.304 57.718 58.200 -0.297 0.000 1.045 239 S CB 0.270 63.126 63.200 -0.573 0.000 0.918 239 S HN 0.531 nan 8.310 nan 0.000 0.505 240 F N 2.465 122.135 119.950 -0.466 0.000 2.499 240 F HA 0.426 4.953 4.527 -0.000 0.000 0.333 240 F C -0.209 175.382 175.800 -0.347 0.000 1.138 240 F CA -0.853 56.975 58.000 -0.286 0.000 0.945 240 F CB 0.782 39.741 39.000 -0.067 0.000 1.181 240 F HN 0.654 nan 8.300 nan 0.000 0.435 241 Y N 2.700 122.792 120.300 -0.348 0.000 2.397 241 Y HA 0.126 4.676 4.550 -0.001 0.000 0.292 241 Y C 1.692 177.539 175.900 -0.087 0.000 1.115 241 Y CA 1.137 59.134 58.100 -0.172 0.000 1.208 241 Y CB -0.443 37.898 38.460 -0.198 0.000 1.046 241 Y HN 0.727 nan 8.280 nan 0.000 0.552 242 S N -0.240 115.412 115.700 -0.080 0.000 3.740 242 S HA -0.296 4.173 4.470 -0.001 0.000 0.637 242 S C -0.269 174.394 174.600 0.105 0.000 2.126 242 S CA 0.078 58.380 58.200 0.170 0.000 2.309 242 S CB -1.453 61.929 63.200 0.304 0.000 0.330 242 S HN 0.582 nan 8.310 nan 0.000 1.786 243 D N 1.278 121.753 120.400 0.126 0.000 2.419 243 D HA 0.229 4.869 4.640 -0.001 0.000 0.236 243 D C 1.603 177.942 176.300 0.065 0.000 1.165 243 D CA 0.801 54.851 54.000 0.083 0.000 0.882 243 D CB 0.485 41.334 40.800 0.081 0.000 1.201 243 D HN 0.604 nan 8.370 nan 0.000 0.443 244 E N 0.617 120.842 120.200 0.042 0.000 2.333 244 E HA -0.213 4.136 4.350 -0.001 0.000 0.198 244 E C 1.419 178.036 176.600 0.028 0.000 1.007 244 E CA 1.100 57.516 56.400 0.027 0.000 0.845 244 E CB -0.218 29.488 29.700 0.010 0.000 0.766 244 E HN 0.382 nan 8.360 nan 0.000 0.507 245 S N 0.730 116.452 115.700 0.036 0.000 2.447 245 S HA -0.127 4.343 4.470 -0.001 0.000 0.233 245 S C 1.000 175.628 174.600 0.046 0.000 1.006 245 S CA 0.105 58.326 58.200 0.035 0.000 0.957 245 S CB -0.403 62.819 63.200 0.038 0.000 0.773 245 S HN 0.316 nan 8.310 nan 0.000 0.507 246 L N 2.676 123.937 121.223 0.063 0.000 2.530 246 L HA 0.227 4.566 4.340 -0.001 0.000 0.273 246 L C 1.458 178.366 176.870 0.062 0.000 1.141 246 L CA 0.217 55.105 54.840 0.080 0.000 0.905 246 L CB 0.286 42.409 42.059 0.108 0.000 1.202 246 L HN 0.304 nan 8.230 nan 0.000 0.473 247 Q N 3.922 123.759 119.800 0.062 0.000 2.046 247 Q HA -0.108 4.232 4.340 -0.001 0.000 0.200 247 Q C -0.458 175.464 176.000 -0.131 0.000 0.975 247 Q CA 1.392 57.180 55.803 -0.024 0.000 0.836 247 Q CB 0.127 28.866 28.738 0.002 0.000 0.896 247 Q HN 0.675 nan 8.270 nan 0.000 0.428 248 Y N 0.536 120.851 120.300 0.025 0.000 2.377 248 Y HA 0.377 4.927 4.550 -0.000 0.000 0.339 248 Y C -1.999 173.913 175.900 0.020 0.000 1.011 248 Y CA -2.918 55.193 58.100 0.020 0.000 1.093 248 Y CB 1.272 39.735 38.460 0.005 0.000 1.201 248 Y HN 0.174 nan 8.280 nan 0.000 0.455 249 P HA 0.062 nan 4.420 nan 0.000 0.269 249 P C -0.949 176.364 177.300 0.022 0.000 1.215 249 P CA -0.641 62.483 63.100 0.040 0.000 0.780 249 P CB 0.709 32.365 31.700 -0.074 0.000 0.898 250 K N 0.875 121.272 120.400 -0.005 0.000 2.130 250 K HA 0.339 4.659 4.320 -0.001 0.000 0.268 250 K C -0.805 175.749 176.600 -0.078 0.000 0.983 250 K CA -0.361 55.920 56.287 -0.010 0.000 0.893 250 K CB 0.523 33.044 32.500 0.035 0.000 1.066 250 K HN 0.327 nan 8.250 nan 0.000 0.450 251 T N 3.177 117.670 114.554 -0.101 0.000 2.744 251 T HA 0.199 4.549 4.350 -0.001 0.000 0.291 251 T C -0.373 174.198 174.700 -0.214 0.000 0.957 251 T CA -0.642 61.361 62.100 -0.161 0.000 1.002 251 T CB 1.014 69.803 68.868 -0.130 0.000 0.919 251 T HN 0.319 nan 8.240 nan 0.000 0.468 252 V N 5.498 125.185 119.914 -0.379 0.000 2.498 252 V HA 0.392 4.511 4.120 -0.001 0.000 0.279 252 V C 0.468 176.304 176.094 -0.429 0.000 1.048 252 V CA -0.506 61.523 62.300 -0.452 0.000 0.967 252 V CB 0.703 32.078 31.823 -0.746 0.000 0.988 252 V HN 0.729 nan 8.190 nan 0.000 0.473 253 R N 3.569 123.945 120.500 -0.208 0.000 2.451 253 R HA 0.704 5.043 4.340 -0.001 0.000 0.307 253 R C -1.628 174.666 176.300 -0.011 0.000 0.965 253 R CA -0.563 55.461 56.100 -0.127 0.000 0.865 253 R CB 2.161 32.414 30.300 -0.078 0.000 1.174 253 R HN 0.516 nan 8.270 nan 0.000 0.455 254 V N 4.239 124.149 119.914 -0.006 0.000 2.483 254 V HA 0.313 4.432 4.120 -0.001 0.000 0.297 254 V C -2.318 173.838 176.094 0.104 0.000 1.027 254 V CA -2.523 59.840 62.300 0.105 0.000 0.855 254 V CB 2.008 33.858 31.823 0.045 0.000 0.995 254 V HN 0.605 nan 8.190 nan 0.000 0.424 255 P HA 0.079 nan 4.420 nan 0.000 0.257 255 P C -1.224 176.195 177.300 0.199 0.000 1.189 255 P CA 0.639 63.857 63.100 0.196 0.000 0.780 255 P CB -0.292 31.569 31.700 0.269 0.000 0.772 256 Y N 6.239 126.529 120.300 -0.016 0.000 2.298 256 Y HA 0.385 4.935 4.550 -0.000 0.000 0.322 256 Y C -2.764 173.110 175.900 -0.043 0.000 1.138 256 Y CA -2.629 55.404 58.100 -0.110 0.000 1.127 256 Y CB 2.066 40.343 38.460 -0.305 0.000 1.178 256 Y HN 0.283 nan 8.280 nan 0.000 0.428 257 P HA 0.302 nan 4.420 nan 0.000 0.297 257 P C -1.145 176.168 177.300 0.021 0.000 1.342 257 P CA -0.364 62.752 63.100 0.027 0.000 0.801 257 P CB 1.393 33.105 31.700 0.019 0.000 0.920 258 K N 1.881 122.385 120.400 0.175 0.000 2.120 258 K HA 0.522 4.842 4.320 -0.001 0.000 0.245 258 K C 0.550 177.238 176.600 0.147 0.000 1.024 258 K CA -0.701 55.714 56.287 0.212 0.000 0.906 258 K CB 0.493 33.153 32.500 0.266 0.000 1.051 258 K HN 0.460 nan 8.250 nan 0.000 0.491 259 A N 0.804 123.740 122.820 0.194 0.000 2.580 259 A HA 0.239 4.559 4.320 -0.001 0.000 0.244 259 A C 1.252 178.875 177.584 0.065 0.000 1.045 259 A CA 1.083 53.223 52.037 0.172 0.000 0.761 259 A CB -1.171 18.010 19.000 0.301 0.000 0.962 259 A HN 0.920 nan 8.150 nan 0.000 0.512 260 G N 0.930 109.755 108.800 0.042 0.000 2.205 260 G HA2 0.102 4.062 3.960 -0.001 0.000 0.261 260 G HA3 0.102 4.062 3.960 -0.001 0.000 0.261 260 G C 0.712 175.624 174.900 0.020 0.000 0.980 260 G CA 0.790 45.889 45.100 -0.001 0.000 0.632 260 G HN 2.247 nan 8.290 nan 0.000 0.533 261 A N -0.122 122.726 122.820 0.046 0.000 2.296 261 A HA 0.747 5.066 4.320 -0.001 0.000 0.264 261 A C 1.137 178.752 177.584 0.052 0.000 1.097 261 A CA 0.451 52.519 52.037 0.053 0.000 0.811 261 A CB 0.614 19.658 19.000 0.075 0.000 1.072 261 A HN 1.939 nan 8.150 nan 0.000 0.495 262 V N 0.724 120.670 119.914 0.053 0.000 2.637 262 V HA 0.306 4.425 4.120 -0.001 0.000 0.296 262 V C -0.057 176.083 176.094 0.076 0.000 1.046 262 V CA -0.449 61.884 62.300 0.055 0.000 1.066 262 V CB 0.220 32.074 31.823 0.050 0.000 0.968 262 V HN 0.750 nan 8.190 nan 0.000 0.483 263 N N 5.577 124.324 118.700 0.078 0.000 2.472 263 N HA 0.609 5.348 4.740 -0.001 0.000 0.289 263 N C -2.659 172.941 175.510 0.149 0.000 1.156 263 N CA -1.695 51.425 53.050 0.117 0.000 0.940 263 N CB 1.369 39.920 38.487 0.107 0.000 1.200 263 N HN 0.654 nan 8.380 nan 0.000 0.511 264 P HA 0.037 nan 4.420 nan 0.000 0.267 264 P C -0.424 177.034 177.300 0.263 0.000 1.200 264 P CA -0.019 63.251 63.100 0.283 0.000 0.772 264 P CB 0.164 32.098 31.700 0.390 0.000 0.855 265 T N -0.871 113.813 114.554 0.217 0.000 2.943 265 T HA 0.544 4.893 4.350 -0.001 0.000 0.284 265 T C -0.246 174.570 174.700 0.193 0.000 1.015 265 T CA -0.837 61.350 62.100 0.145 0.000 1.042 265 T CB 1.546 70.469 68.868 0.091 0.000 1.055 265 T HN 0.315 nan 8.240 nan 0.000 0.500 266 V N 1.096 121.092 119.914 0.138 0.000 2.709 266 V HA 0.712 4.832 4.120 -0.001 0.000 0.308 266 V C -1.324 174.828 176.094 0.097 0.000 1.062 266 V CA -0.818 61.521 62.300 0.066 0.000 0.901 266 V CB 1.962 33.859 31.823 0.124 0.000 1.003 266 V HN 1.044 nan 8.190 nan 0.000 0.425 267 K N 4.856 125.239 120.400 -0.029 0.000 2.395 267 K HA 0.618 4.938 4.320 -0.001 0.000 0.247 267 K C -1.828 174.605 176.600 -0.278 0.000 0.973 267 K CA -0.516 55.696 56.287 -0.125 0.000 0.828 267 K CB 2.801 35.191 32.500 -0.184 0.000 1.272 267 K HN 0.567 nan 8.250 nan 0.000 0.439 268 F N 2.210 121.772 119.950 -0.645 0.000 2.529 268 F HA 0.542 5.068 4.527 -0.001 0.000 0.320 268 F C -1.565 173.659 175.800 -0.959 0.000 1.118 268 F CA -0.660 56.969 58.000 -0.618 0.000 0.915 268 F CB 0.861 39.664 39.000 -0.327 0.000 1.161 268 F HN 0.374 nan 8.300 nan 0.000 0.445 269 F N 4.336 123.611 119.950 -1.126 0.000 2.577 269 F HA 0.754 5.281 4.527 -0.001 0.000 0.318 269 F C -0.900 174.321 175.800 -0.966 0.000 1.065 269 F CA -1.281 56.166 58.000 -0.921 0.000 0.929 269 F CB 1.982 40.332 39.000 -1.083 0.000 1.237 269 F HN 0.101 nan 8.300 nan 0.000 0.468 270 V N 2.576 122.287 119.914 -0.338 0.000 2.540 270 V HA 0.601 4.720 4.120 -0.001 0.000 0.302 270 V C -1.006 175.146 176.094 0.095 0.000 1.035 270 V CA -0.891 61.263 62.300 -0.244 0.000 0.873 270 V CB 1.923 33.338 31.823 -0.680 0.000 0.992 270 V HN 0.610 nan 8.190 nan 0.000 0.428 271 V N 4.192 124.232 119.914 0.210 0.000 2.555 271 V HA 0.552 4.671 4.120 -0.001 0.000 0.302 271 V C -0.212 176.111 176.094 0.382 0.000 1.038 271 V CA -0.603 61.858 62.300 0.269 0.000 0.887 271 V CB 1.991 33.916 31.823 0.170 0.000 0.991 271 V HN 0.937 nan 8.190 nan 0.000 0.434 272 N N 3.722 122.661 118.700 0.398 0.000 2.405 272 N HA 0.134 4.874 4.740 -0.001 0.000 0.260 272 N C 1.114 176.674 175.510 0.084 0.000 1.152 272 N CA 0.685 53.899 53.050 0.274 0.000 0.948 272 N CB 1.656 40.296 38.487 0.255 0.000 1.111 272 N HN 0.890 nan 8.380 nan 0.000 0.485 273 T N -0.443 114.132 114.554 0.034 0.000 3.043 273 T HA 0.027 4.377 4.350 -0.001 0.000 0.263 273 T C 0.804 175.470 174.700 -0.056 0.000 1.094 273 T CA 0.511 62.611 62.100 -0.001 0.000 1.127 273 T CB 0.141 69.085 68.868 0.127 0.000 0.905 273 T HN 0.255 nan 8.240 nan 0.000 0.490 274 D N 2.223 122.581 120.400 -0.069 0.000 2.317 274 D HA 0.013 4.653 4.640 -0.001 0.000 0.211 274 D C 1.641 177.900 176.300 -0.069 0.000 0.966 274 D CA 1.015 54.967 54.000 -0.081 0.000 0.876 274 D CB -0.022 40.708 40.800 -0.117 0.000 0.927 274 D HN 0.650 nan 8.370 nan 0.000 0.519 275 S N -0.074 115.593 115.700 -0.055 0.000 2.562 275 S HA 0.206 4.675 4.470 -0.001 0.000 0.246 275 S C 0.263 174.820 174.600 -0.070 0.000 1.056 275 S CA -0.678 57.502 58.200 -0.033 0.000 1.042 275 S CB 0.010 63.224 63.200 0.024 0.000 0.822 275 S HN -0.153 nan 8.310 nan 0.000 0.465 276 L N 2.138 123.253 121.223 -0.179 0.000 2.452 276 L HA 0.614 4.954 4.340 -0.001 0.000 0.267 276 L C 0.447 177.158 176.870 -0.265 0.000 1.188 276 L CA 0.450 55.083 54.840 -0.345 0.000 0.821 276 L CB 1.287 42.858 42.059 -0.812 0.000 1.102 276 L HN 0.428 nan 8.230 nan 0.000 0.470 277 S N -0.366 115.256 115.700 -0.130 0.000 2.546 277 S HA 0.397 4.866 4.470 -0.001 0.000 0.274 277 S C 0.630 175.404 174.600 0.289 0.000 1.121 277 S CA -0.443 57.809 58.200 0.087 0.000 0.887 277 S CB 1.575 64.815 63.200 0.066 0.000 1.094 277 S HN 0.591 nan 8.310 nan 0.000 0.474 278 S N 1.511 117.400 115.700 0.315 0.000 2.481 278 S HA -0.061 4.409 4.470 -0.001 0.000 0.231 278 S C 1.628 176.325 174.600 0.161 0.000 0.996 278 S CA 1.173 59.523 58.200 0.250 0.000 0.942 278 S CB -0.212 63.083 63.200 0.158 0.000 0.768 278 S HN 0.796 nan 8.310 nan 0.000 0.520 279 V N -0.596 119.396 119.914 0.130 0.000 3.431 279 V HA 0.249 4.369 4.120 -0.001 0.000 0.253 279 V C 0.840 176.980 176.094 0.076 0.000 1.184 279 V CA 0.502 62.855 62.300 0.088 0.000 1.104 279 V CB -0.609 31.253 31.823 0.065 0.000 0.799 279 V HN 0.463 nan 8.190 nan 0.000 0.462 280 T N -0.632 113.973 114.554 0.087 0.000 2.856 280 T HA 0.502 4.851 4.350 -0.001 0.000 0.283 280 T C -0.360 174.397 174.700 0.095 0.000 1.008 280 T CA -0.645 61.495 62.100 0.066 0.000 0.997 280 T CB 1.677 70.573 68.868 0.047 0.000 0.992 280 T HN 0.168 nan 8.240 nan 0.000 0.454 281 N N 1.328 120.071 118.700 0.072 0.000 2.416 281 N HA 0.395 5.134 4.740 -0.001 0.000 0.246 281 N C 0.278 175.848 175.510 0.100 0.000 1.260 281 N CA -0.076 53.044 53.050 0.117 0.000 0.897 281 N CB 0.689 39.187 38.487 0.018 0.000 1.110 281 N HN 1.005 nan 8.380 nan 0.000 0.439 282 A N 1.178 124.073 122.820 0.125 0.000 2.425 282 A HA 0.282 4.601 4.320 -0.001 0.000 0.249 282 A C 0.141 177.769 177.584 0.073 0.000 1.084 282 A CA -0.043 52.039 52.037 0.075 0.000 0.781 282 A CB 0.091 19.117 19.000 0.043 0.000 1.019 282 A HN 0.532 nan 8.150 nan 0.000 0.490 283 T N 2.740 117.342 114.554 0.081 0.000 2.738 283 T HA 0.394 4.744 4.350 -0.001 0.000 0.298 283 T C 0.044 174.821 174.700 0.129 0.000 0.962 283 T CA -0.009 62.149 62.100 0.097 0.000 0.972 283 T CB 0.419 69.351 68.868 0.107 0.000 0.928 283 T HN 0.551 nan 8.240 nan 0.000 0.474 284 S N 4.135 119.899 115.700 0.107 0.000 2.452 284 S HA 0.385 4.854 4.470 -0.001 0.000 0.284 284 S C 0.198 174.929 174.600 0.218 0.000 1.171 284 S CA -0.844 57.437 58.200 0.136 0.000 1.064 284 S CB 0.375 63.562 63.200 -0.021 0.000 0.967 284 S HN 0.487 nan 8.310 nan 0.000 0.484 285 I N 3.484 124.201 120.570 0.246 0.000 2.291 285 I HA 0.208 4.378 4.170 -0.001 0.000 0.292 285 I C 0.709 176.947 176.117 0.203 0.000 1.064 285 I CA -0.138 61.320 61.300 0.263 0.000 1.269 285 I CB 0.385 38.618 38.000 0.389 0.000 1.418 285 I HN 0.703 nan 8.210 nan 0.000 0.485 286 Q N 6.075 125.999 119.800 0.206 0.000 2.332 286 Q HA 0.351 4.691 4.340 -0.001 0.000 0.263 286 Q C -0.877 175.095 176.000 -0.047 0.000 0.979 286 Q CA -0.071 55.695 55.803 -0.061 0.000 0.885 286 Q CB 1.033 29.708 28.738 -0.105 0.000 1.218 286 Q HN 0.534 nan 8.270 nan 0.000 0.405 287 I N 3.793 124.308 120.570 -0.093 0.000 2.362 287 I HA 0.217 4.387 4.170 -0.001 0.000 0.289 287 I C 0.223 176.326 176.117 -0.022 0.000 0.994 287 I CA -0.684 60.620 61.300 0.006 0.000 1.158 287 I CB 1.721 39.765 38.000 0.072 0.000 1.315 287 I HN 0.673 nan 8.210 nan 0.000 0.451 288 T N 2.891 117.399 114.554 -0.078 0.000 2.913 288 T HA 0.673 5.023 4.350 -0.001 0.000 0.287 288 T C 0.286 174.767 174.700 -0.364 0.000 1.008 288 T CA -0.840 61.150 62.100 -0.185 0.000 1.067 288 T CB 1.670 70.429 68.868 -0.182 0.000 0.996 288 T HN 0.608 nan 8.240 nan 0.000 0.513 289 A N 2.936 125.280 122.820 -0.794 0.000 2.425 289 A HA 0.541 4.861 4.320 -0.001 0.000 0.242 289 A C -2.117 174.967 177.584 -0.834 0.000 1.077 289 A CA -1.363 49.769 52.037 -1.508 0.000 0.781 289 A CB -0.960 16.820 19.000 -2.032 0.000 1.020 289 A HN 0.721 nan 8.150 nan 0.000 0.494 290 P HA 0.101 nan 4.420 nan 0.000 0.267 290 P C 0.873 177.955 177.300 -0.364 0.000 1.201 290 P CA 0.769 63.632 63.100 -0.396 0.000 0.775 290 P CB 0.489 32.022 31.700 -0.278 0.000 0.854 291 A N 2.234 124.912 122.820 -0.236 0.000 1.986 291 A HA -0.214 4.106 4.320 -0.001 0.000 0.220 291 A C 2.099 179.576 177.584 -0.179 0.000 1.171 291 A CA 2.352 54.274 52.037 -0.192 0.000 0.640 291 A CB -1.720 17.202 19.000 -0.130 0.000 0.811 291 A HN 0.631 nan 8.150 nan 0.000 0.451 292 S N -1.581 114.030 115.700 -0.147 0.000 2.507 292 S HA -0.025 4.444 4.470 -0.001 0.000 0.235 292 S C 1.678 176.209 174.600 -0.116 0.000 0.988 292 S CA 1.359 59.502 58.200 -0.097 0.000 0.944 292 S CB -0.239 62.968 63.200 0.011 0.000 0.762 292 S HN 0.420 nan 8.310 nan 0.000 0.526 293 M N 0.541 120.000 119.600 -0.236 0.000 2.657 293 M HA 0.370 4.850 4.480 -0.001 0.000 0.262 293 M C 1.872 177.912 176.300 -0.434 0.000 1.213 293 M CA 0.581 55.683 55.300 -0.329 0.000 1.182 293 M CB -0.991 31.276 32.600 -0.554 0.000 1.303 293 M HN 0.312 nan 8.290 nan 0.000 0.501 294 L N 1.185 122.132 121.223 -0.461 0.000 2.450 294 L HA -0.129 4.210 4.340 -0.001 0.000 0.224 294 L C 2.262 179.054 176.870 -0.129 0.000 1.149 294 L CA 0.569 55.221 54.840 -0.314 0.000 0.816 294 L CB -0.772 41.117 42.059 -0.284 0.000 0.932 294 L HN 0.314 nan 8.230 nan 0.000 0.449 295 I N -2.995 117.504 120.570 -0.118 0.000 2.546 295 I HA 0.109 4.278 4.170 -0.001 0.000 0.255 295 I C 1.204 177.300 176.117 -0.035 0.000 1.163 295 I CA 0.717 61.973 61.300 -0.072 0.000 1.457 295 I CB -0.457 37.494 38.000 -0.082 0.000 1.092 295 I HN 0.064 nan 8.210 nan 0.000 0.434 296 G N 0.006 108.802 108.800 -0.005 0.000 3.021 296 G HA2 0.329 4.289 3.960 -0.001 0.000 0.290 296 G HA3 0.329 4.289 3.960 -0.001 0.000 0.290 296 G C -1.737 173.210 174.900 0.078 0.000 1.291 296 G CA -0.525 44.585 45.100 0.017 0.000 0.834 296 G HN 0.007 nan 8.290 nan 0.000 0.564 297 D N 1.145 121.548 120.400 0.004 0.000 2.424 297 D HA 0.399 5.038 4.640 -0.001 0.000 0.244 297 D C 0.327 176.566 176.300 -0.102 0.000 1.134 297 D CA 0.516 54.463 54.000 -0.087 0.000 0.881 297 D CB 0.554 41.270 40.800 -0.141 0.000 1.191 297 D HN 0.504 nan 8.370 nan 0.000 0.445 298 H N -0.508 118.421 119.070 -0.234 0.000 2.943 298 H HA 0.490 5.046 4.556 -0.001 0.000 0.323 298 H C -1.266 173.868 175.328 -0.322 0.000 1.296 298 H CA -0.803 55.113 56.048 -0.220 0.000 1.155 298 H CB 0.428 30.183 29.762 -0.011 0.000 1.882 298 H HN 0.265 nan 8.280 nan 0.000 0.553 299 Y N -0.116 120.386 120.300 0.338 0.000 2.536 299 Y HA 0.357 4.906 4.550 -0.001 0.000 0.347 299 Y C -0.349 175.803 175.900 0.419 0.000 1.000 299 Y CA -1.172 57.113 58.100 0.308 0.000 1.051 299 Y CB 1.973 40.469 38.460 0.060 0.000 1.259 299 Y HN 0.455 nan 8.280 nan 0.000 0.468 300 L N 3.366 124.895 121.223 0.510 0.000 2.261 300 L HA 0.335 4.675 4.340 -0.001 0.000 0.289 300 L C 0.503 177.371 176.870 -0.004 0.000 1.059 300 L CA -0.220 54.610 54.840 -0.017 0.000 0.816 300 L CB 0.103 42.076 42.059 -0.144 0.000 1.191 300 L HN 0.979 nan 8.230 nan 0.000 0.431 301 C N 1.352 120.564 119.300 -0.146 0.000 3.065 301 C HA 0.469 4.929 4.460 -0.001 0.000 0.285 301 C C 0.315 175.244 174.990 -0.101 0.000 1.257 301 C CA -0.389 58.511 59.018 -0.197 0.000 1.691 301 C CB -0.497 27.177 27.740 -0.110 0.000 2.089 301 C HN 0.827 nan 8.230 nan 0.000 0.630 302 D N 0.343 120.671 120.400 -0.119 0.000 2.937 302 D HA 0.417 5.056 4.640 -0.001 0.000 0.215 302 D C -1.773 174.282 176.300 -0.409 0.000 1.274 302 D CA 0.105 54.036 54.000 -0.115 0.000 0.869 302 D CB 2.813 43.525 40.800 -0.147 0.000 1.675 302 D HN 0.073 nan 8.370 nan 0.000 0.538 303 V N 2.760 122.349 119.914 -0.541 0.000 2.443 303 V HA 0.509 4.629 4.120 -0.001 0.000 0.293 303 V C -0.220 175.503 176.094 -0.618 0.000 1.021 303 V CA -0.400 61.348 62.300 -0.919 0.000 0.848 303 V CB 1.781 32.530 31.823 -1.790 0.000 0.998 303 V HN 0.600 nan 8.190 nan 0.000 0.424 304 T N 3.838 118.124 114.554 -0.447 0.000 2.965 304 T HA 0.320 4.669 4.350 -0.001 0.000 0.306 304 T C -0.656 173.946 174.700 -0.164 0.000 0.991 304 T CA -0.421 61.578 62.100 -0.169 0.000 1.001 304 T CB 0.551 69.396 68.868 -0.039 0.000 0.984 304 T HN 0.548 nan 8.240 nan 0.000 0.446 305 W N 2.290 123.550 121.300 -0.067 0.000 2.264 305 W HA 0.382 5.042 4.660 -0.001 0.000 0.331 305 W C 1.199 177.623 176.519 -0.159 0.000 1.364 305 W CA -0.215 57.087 57.345 -0.072 0.000 1.253 305 W CB 0.474 29.967 29.460 0.056 0.000 1.215 305 W HN 0.826 nan 8.180 nan 0.000 0.561 306 A N 2.311 125.049 122.820 -0.137 0.000 1.942 306 A HA 0.204 4.523 4.320 -0.001 0.000 0.209 306 A C 0.873 178.407 177.584 -0.083 0.000 1.214 306 A CA 1.467 53.157 52.037 -0.579 0.000 0.686 306 A CB -0.215 17.918 19.000 -1.445 0.000 0.871 306 A HN 0.531 nan 8.150 nan 0.000 0.460 307 T N -5.852 108.777 114.554 0.125 0.000 2.681 307 T HA 0.333 4.682 4.350 -0.001 0.000 0.296 307 T C 0.157 175.022 174.700 0.275 0.000 1.157 307 T CA -0.359 61.848 62.100 0.177 0.000 1.025 307 T CB 0.635 69.588 68.868 0.143 0.000 1.441 307 T HN -0.084 nan 8.240 nan 0.000 0.504 308 Q N 0.424 120.340 119.800 0.194 0.000 2.197 308 Q HA -0.061 4.279 4.340 -0.001 0.000 0.207 308 Q C 0.951 177.213 176.000 0.436 0.000 0.984 308 Q CA 1.800 57.715 55.803 0.187 0.000 0.869 308 Q CB -0.235 28.572 28.738 0.115 0.000 0.906 308 Q HN 0.850 nan 8.270 nan 0.000 0.426 309 E N -0.603 119.877 120.200 0.467 0.000 2.810 309 E HA 0.184 4.534 4.350 -0.001 0.000 0.214 309 E C -0.257 176.661 176.600 0.530 0.000 0.980 309 E CA -0.171 56.547 56.400 0.531 0.000 1.159 309 E CB 0.982 30.873 29.700 0.317 0.000 1.047 309 E HN -0.039 nan 8.360 nan 0.000 0.484 310 R N 1.713 122.532 120.500 0.532 0.000 2.502 310 R HA 0.472 4.811 4.340 -0.001 0.000 0.298 310 R C -1.694 174.654 176.300 0.079 0.000 1.018 310 R CA -0.464 55.801 56.100 0.274 0.000 0.899 310 R CB 1.026 31.369 30.300 0.072 0.000 1.181 310 R HN 0.075 nan 8.270 nan 0.000 0.444 311 I N 3.565 124.019 120.570 -0.194 0.000 2.474 311 I HA 0.412 4.581 4.170 -0.001 0.000 0.294 311 I C -0.662 175.166 176.117 -0.482 0.000 1.005 311 I CA -0.408 60.497 61.300 -0.659 0.000 1.113 311 I CB 1.952 39.108 38.000 -1.407 0.000 1.289 311 I HN 0.814 nan 8.210 nan 0.000 0.436 312 S N 7.584 123.002 115.700 -0.470 0.000 2.489 312 S HA 0.716 5.186 4.470 -0.001 0.000 0.291 312 S C -0.914 173.394 174.600 -0.486 0.000 1.151 312 S CA -0.714 57.277 58.200 -0.348 0.000 1.082 312 S CB 1.625 64.747 63.200 -0.130 0.000 1.019 312 S HN 0.478 nan 8.310 nan 0.000 0.492 313 L N 2.365 123.311 121.223 -0.462 0.000 2.365 313 L HA 0.524 4.864 4.340 -0.001 0.000 0.273 313 L C -0.203 176.395 176.870 -0.454 0.000 1.000 313 L CA -0.175 54.286 54.840 -0.632 0.000 0.819 313 L CB 1.902 43.526 42.059 -0.725 0.000 1.284 313 L HN 0.844 nan 8.230 nan 0.000 0.418 314 Q N 2.089 121.587 119.800 -0.503 0.000 2.309 314 Q HA 0.540 4.879 4.340 -0.001 0.000 0.264 314 Q C -1.600 174.167 176.000 -0.389 0.000 1.008 314 Q CA -0.462 55.159 55.803 -0.304 0.000 0.853 314 Q CB 2.200 30.815 28.738 -0.205 0.000 1.314 314 Q HN 0.484 nan 8.270 nan 0.000 0.448 315 W N 1.845 123.094 121.300 -0.086 0.000 2.864 315 W HA 0.626 5.286 4.660 -0.001 0.000 0.343 315 W C -1.152 175.387 176.519 0.033 0.000 1.109 315 W CA -0.660 56.679 57.345 -0.009 0.000 1.192 315 W CB 1.332 30.768 29.460 -0.040 0.000 1.426 315 W HN 0.393 nan 8.180 nan 0.000 0.529 316 L N 2.477 123.922 121.223 0.370 0.000 2.410 316 L HA 0.588 4.928 4.340 -0.001 0.000 0.270 316 L C -0.154 176.894 176.870 0.297 0.000 0.983 316 L CA -0.991 54.022 54.840 0.289 0.000 0.822 316 L CB 1.414 43.630 42.059 0.262 0.000 1.285 316 L HN 0.415 nan 8.230 nan 0.000 0.409 317 R N 2.318 122.958 120.500 0.235 0.000 2.679 317 R HA 0.257 4.596 4.340 -0.001 0.000 0.269 317 R C 1.064 177.412 176.300 0.081 0.000 1.076 317 R CA -0.093 56.095 56.100 0.147 0.000 1.160 317 R CB 0.620 31.005 30.300 0.142 0.000 1.054 317 R HN 0.657 nan 8.270 nan 0.000 0.507 318 R N 1.504 121.969 120.500 -0.059 0.000 2.105 318 R HA -0.079 4.261 4.340 -0.001 0.000 0.239 318 R C 0.202 176.549 176.300 0.079 0.000 1.135 318 R CA 1.219 57.275 56.100 -0.073 0.000 0.967 318 R CB -0.101 30.111 30.300 -0.146 0.000 0.861 318 R HN 0.470 nan 8.270 nan 0.000 0.442 319 I N 2.342 122.945 120.570 0.055 0.000 2.421 319 I HA -0.026 4.144 4.170 -0.001 0.000 0.291 319 I C 0.460 176.635 176.117 0.097 0.000 1.089 319 I CA 0.467 61.805 61.300 0.063 0.000 1.354 319 I CB 1.305 39.329 38.000 0.040 0.000 1.413 319 I HN 0.163 nan 8.210 nan 0.000 0.513 320 Q N 5.259 125.114 119.800 0.091 0.000 2.294 320 Q HA 0.031 4.371 4.340 -0.001 0.000 0.256 320 Q C 0.469 176.541 176.000 0.119 0.000 0.907 320 Q CA -0.074 55.796 55.803 0.111 0.000 0.954 320 Q CB -0.295 28.473 28.738 0.050 0.000 1.102 320 Q HN 0.694 nan 8.270 nan 0.000 0.429 321 N N -0.693 118.081 118.700 0.123 0.000 2.204 321 N HA -0.041 4.698 4.740 -0.001 0.000 0.219 321 N C -0.971 174.646 175.510 0.178 0.000 1.151 321 N CA -0.170 52.946 53.050 0.111 0.000 0.867 321 N CB 0.306 38.833 38.487 0.066 0.000 1.043 321 N HN 0.182 nan 8.380 nan 0.000 0.516 322 Y N 1.111 121.434 120.300 0.038 0.000 2.362 322 Y HA 0.520 5.070 4.550 -0.001 0.000 0.326 322 Y C -1.222 174.712 175.900 0.056 0.000 1.083 322 Y CA -0.902 57.219 58.100 0.036 0.000 1.073 322 Y CB 1.458 39.930 38.460 0.021 0.000 1.211 322 Y HN 0.146 nan 8.280 nan 0.000 0.433 323 S N 3.975 119.522 115.700 -0.255 0.000 2.568 323 S HA 0.904 5.373 4.470 -0.001 0.000 0.293 323 S C -1.703 172.739 174.600 -0.264 0.000 1.089 323 S CA -0.861 57.257 58.200 -0.135 0.000 0.945 323 S CB 2.070 65.247 63.200 -0.039 0.000 1.077 323 S HN 0.419 nan 8.310 nan 0.000 0.485 324 V N 2.906 122.778 119.914 -0.070 0.000 2.531 324 V HA 0.467 4.586 4.120 -0.001 0.000 0.301 324 V C -0.418 175.703 176.094 0.045 0.000 1.034 324 V CA -0.625 61.648 62.300 -0.046 0.000 0.865 324 V CB 1.721 33.539 31.823 -0.009 0.000 0.995 324 V HN 1.033 nan 8.190 nan 0.000 0.424 325 M N 4.123 123.720 119.600 -0.006 0.000 2.084 325 M HA 0.426 4.906 4.480 -0.001 0.000 0.351 325 M C -1.004 175.307 176.300 0.018 0.000 1.240 325 M CA -0.225 55.054 55.300 -0.035 0.000 1.083 325 M CB 0.654 33.170 32.600 -0.140 0.000 1.593 325 M HN 0.591 nan 8.290 nan 0.000 0.463 326 D N 5.522 125.934 120.400 0.021 0.000 2.177 326 D HA 0.468 5.107 4.640 -0.001 0.000 0.247 326 D C -0.831 175.441 176.300 -0.046 0.000 1.063 326 D CA 0.010 54.019 54.000 0.016 0.000 0.867 326 D CB 1.432 42.265 40.800 0.054 0.000 1.168 326 D HN 0.590 nan 8.370 nan 0.000 0.445 327 I N 2.534 123.103 120.570 -0.001 0.000 2.355 327 I HA 0.277 4.446 4.170 -0.001 0.000 0.288 327 I C -0.564 175.555 176.117 0.003 0.000 0.999 327 I CA -0.495 60.795 61.300 -0.015 0.000 1.163 327 I CB 1.209 39.248 38.000 0.065 0.000 1.316 327 I HN 0.181 nan 8.210 nan 0.000 0.454 328 c N 4.023 122.614 118.600 -0.014 0.000 2.408 328 c HA 0.549 5.119 4.570 -0.001 0.000 0.321 328 c C -0.467 173.750 174.090 0.211 0.000 1.245 328 c CA -0.809 55.570 56.329 0.083 0.000 1.523 328 c CB 1.036 43.589 42.510 0.072 0.000 2.178 328 c HN 0.580 nan 8.230 nan 0.000 0.488 329 D N 0.449 120.957 120.400 0.179 0.000 2.248 329 D HA 0.283 4.923 4.640 -0.001 0.000 0.246 329 D C -0.657 175.583 176.300 -0.099 0.000 1.027 329 D CA -0.251 53.819 54.000 0.117 0.000 0.853 329 D CB 1.043 41.868 40.800 0.041 0.000 1.243 329 D HN 0.593 nan 8.370 nan 0.000 0.462 330 Y N 1.670 121.588 120.300 -0.638 0.000 2.465 330 Y HA 0.088 4.637 4.550 -0.001 0.000 0.331 330 Y C 0.132 175.723 175.900 -0.515 0.000 1.102 330 Y CA 0.040 57.422 58.100 -1.197 0.000 1.358 330 Y CB 0.553 38.182 38.460 -1.385 0.000 1.213 330 Y HN 0.187 nan 8.280 nan 0.000 0.525 331 D N 6.418 126.261 120.400 -0.929 0.000 2.313 331 D HA 0.011 4.651 4.640 -0.001 0.000 0.239 331 D C 0.711 176.479 176.300 -0.887 0.000 1.142 331 D CA -0.027 53.584 54.000 -0.648 0.000 0.847 331 D CB 1.064 41.625 40.800 -0.399 0.000 1.082 331 D HN 0.789 nan 8.370 nan 0.000 0.480 332 E N 1.973 121.867 120.200 -0.510 0.000 2.048 332 E HA -0.211 4.139 4.350 -0.001 0.000 0.202 332 E C 1.729 178.193 176.600 -0.226 0.000 1.021 332 E CA 1.714 57.942 56.400 -0.287 0.000 0.825 332 E CB 0.031 29.684 29.700 -0.079 0.000 0.756 332 E HN 0.607 nan 8.360 nan 0.000 0.454 333 S N -0.578 115.013 115.700 -0.182 0.000 2.470 333 S HA 0.047 4.516 4.470 -0.001 0.000 0.225 333 S C 2.139 176.672 174.600 -0.112 0.000 1.006 333 S CA 0.725 58.862 58.200 -0.106 0.000 0.934 333 S CB 0.216 63.373 63.200 -0.072 0.000 0.778 333 S HN 0.018 nan 8.310 nan 0.000 0.517 334 S N 1.358 116.951 115.700 -0.179 0.000 2.362 334 S HA 0.374 4.844 4.470 -0.001 0.000 0.221 334 S C 1.702 176.232 174.600 -0.117 0.000 1.032 334 S CA 0.681 58.797 58.200 -0.139 0.000 0.973 334 S CB -0.858 62.244 63.200 -0.164 0.000 0.849 334 S HN 1.130 nan 8.310 nan 0.000 0.465 335 G N 1.594 110.248 108.800 -0.244 0.000 2.132 335 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.228 335 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.228 335 G C -0.004 174.868 174.900 -0.047 0.000 1.000 335 G CA -0.121 44.937 45.100 -0.071 0.000 0.693 335 G HN 0.418 nan 8.290 nan 0.000 0.515 336 R N -1.829 118.496 120.500 -0.291 0.000 2.919 336 R HA 0.687 5.026 4.340 -0.001 0.000 0.260 336 R C -1.012 175.084 176.300 -0.340 0.000 1.067 336 R CA -0.906 55.120 56.100 -0.124 0.000 1.003 336 R CB 1.085 31.369 30.300 -0.027 0.000 1.192 336 R HN 0.132 nan 8.270 nan 0.000 0.488 337 W N 0.571 121.863 121.300 -0.012 0.000 2.475 337 W HA 0.405 5.064 4.660 -0.001 0.000 0.317 337 W C -0.615 175.881 176.519 -0.039 0.000 1.046 337 W CA -0.390 56.944 57.345 -0.018 0.000 1.215 337 W CB 1.273 30.724 29.460 -0.015 0.000 1.335 337 W HN 0.420 nan 8.180 nan 0.000 0.471 338 N N 2.075 120.846 118.700 0.119 0.000 2.296 338 N HA 0.552 5.292 4.740 -0.001 0.000 0.294 338 N C -1.638 173.907 175.510 0.059 0.000 1.033 338 N CA -0.662 52.419 53.050 0.052 0.000 0.839 338 N CB 1.326 39.805 38.487 -0.014 0.000 1.395 338 N HN 0.172 nan 8.380 nan 0.000 0.479 339 c N 2.703 121.324 118.600 0.035 0.000 2.258 339 c HA 0.402 4.971 4.570 -0.001 0.000 0.321 339 c C 0.330 174.422 174.090 0.003 0.000 1.168 339 c CA -1.148 55.194 56.329 0.021 0.000 1.531 339 c CB -1.255 41.259 42.510 0.006 0.000 2.095 339 c HN 0.600 nan 8.230 nan 0.000 0.449 340 L N 2.905 124.134 121.223 0.010 0.000 2.410 340 L HA 0.105 4.444 4.340 -0.001 0.000 0.273 340 L C 1.479 178.346 176.870 -0.006 0.000 1.152 340 L CA -0.041 54.800 54.840 0.001 0.000 0.855 340 L CB 0.509 42.574 42.059 0.009 0.000 1.129 340 L HN 0.564 nan 8.230 nan 0.000 0.463 341 V N 3.027 122.929 119.914 -0.021 0.000 2.568 341 V HA -0.306 3.813 4.120 -0.001 0.000 0.253 341 V C 2.365 178.437 176.094 -0.038 0.000 1.072 341 V CA 2.035 64.316 62.300 -0.032 0.000 1.084 341 V CB -0.716 31.084 31.823 -0.037 0.000 0.676 341 V HN 1.032 nan 8.190 nan 0.000 0.469 342 A N 0.229 123.033 122.820 -0.027 0.000 2.070 342 A HA -0.158 4.161 4.320 -0.001 0.000 0.220 342 A C 2.113 179.676 177.584 -0.035 0.000 1.159 342 A CA 1.235 53.253 52.037 -0.032 0.000 0.656 342 A CB -0.305 18.688 19.000 -0.012 0.000 0.800 342 A HN 0.576 nan 8.150 nan 0.000 0.453 343 R N -0.202 120.300 120.500 0.004 0.000 2.466 343 R HA 0.163 4.503 4.340 -0.001 0.000 0.279 343 R C -0.259 176.088 176.300 0.078 0.000 0.976 343 R CA -0.152 55.995 56.100 0.079 0.000 1.081 343 R CB 0.123 30.502 30.300 0.131 0.000 1.215 343 R HN 0.600 nan 8.270 nan 0.000 0.546 344 Q N 0.900 120.668 119.800 -0.053 0.000 2.327 344 Q HA 0.116 4.456 4.340 -0.001 0.000 0.254 344 Q C -0.854 175.008 176.000 -0.230 0.000 0.952 344 Q CA 0.375 56.147 55.803 -0.051 0.000 0.884 344 Q CB 0.877 29.579 28.738 -0.060 0.000 1.224 344 Q HN 0.200 nan 8.270 nan 0.000 0.422 345 H N 1.268 120.329 119.070 -0.015 0.000 2.658 345 H HA 0.411 4.967 4.556 -0.001 0.000 0.337 345 H C -0.921 174.366 175.328 -0.070 0.000 1.009 345 H CA -0.396 55.645 56.048 -0.012 0.000 1.231 345 H CB 0.984 30.739 29.762 -0.013 0.000 1.508 345 H HN 0.445 nan 8.280 nan 0.000 0.517 346 I N 2.296 122.865 120.570 -0.001 0.000 2.359 346 I HA 0.220 4.390 4.170 -0.001 0.000 0.294 346 I C -0.066 176.000 176.117 -0.085 0.000 0.987 346 I CA -0.117 61.103 61.300 -0.133 0.000 1.225 346 I CB 1.182 39.081 38.000 -0.168 0.000 1.366 346 I HN 0.561 nan 8.210 nan 0.000 0.466 347 E N 8.212 128.312 120.200 -0.167 0.000 2.234 347 E HA 0.663 5.013 4.350 -0.001 0.000 0.266 347 E C -1.244 175.273 176.600 -0.139 0.000 0.877 347 E CA -0.710 55.641 56.400 -0.081 0.000 0.758 347 E CB 1.569 31.251 29.700 -0.030 0.000 1.170 347 E HN 0.602 nan 8.360 nan 0.000 0.415 348 M N 0.778 120.348 119.600 -0.050 0.000 2.755 348 M HA 0.633 5.113 4.480 -0.001 0.000 0.273 348 M C -1.288 175.023 176.300 0.020 0.000 1.278 348 M CA -0.944 54.358 55.300 0.003 0.000 0.819 348 M CB 2.184 34.841 32.600 0.095 0.000 1.694 348 M HN 0.284 nan 8.290 nan 0.000 0.460 349 S N -0.807 114.904 115.700 0.018 0.000 2.549 349 S HA 0.649 5.119 4.470 -0.001 0.000 0.280 349 S C 0.134 174.715 174.600 -0.033 0.000 1.109 349 S CA 0.074 58.258 58.200 -0.028 0.000 0.905 349 S CB 2.015 65.155 63.200 -0.101 0.000 1.081 349 S HN 0.894 nan 8.310 nan 0.000 0.477 350 T N -0.569 113.959 114.554 -0.043 0.000 3.014 350 T HA 0.088 4.438 4.350 -0.001 0.000 0.250 350 T C 1.380 176.034 174.700 -0.077 0.000 1.060 350 T CA 0.823 62.899 62.100 -0.040 0.000 1.040 350 T CB -0.339 68.519 68.868 -0.017 0.000 0.971 350 T HN 0.671 nan 8.240 nan 0.000 0.497 351 T N -1.722 112.753 114.554 -0.131 0.000 3.022 351 T HA 0.627 4.976 4.350 -0.001 0.000 0.250 351 T C 1.061 175.472 174.700 -0.481 0.000 1.060 351 T CA 0.260 62.260 62.100 -0.165 0.000 1.013 351 T CB 0.578 69.444 68.868 -0.003 0.000 0.982 351 T HN 0.638 nan 8.240 nan 0.000 0.508 352 G N 0.633 109.004 108.800 -0.715 0.000 2.512 352 G HA2 0.443 4.402 3.960 -0.001 0.000 0.186 352 G HA3 0.443 4.402 3.960 -0.001 0.000 0.186 352 G C -1.705 172.925 174.900 -0.450 0.000 1.189 352 G CA -0.583 43.986 45.100 -0.885 0.000 0.994 352 G HN 0.466 nan 8.290 nan 0.000 0.506 353 W N 0.066 121.135 121.300 -0.386 0.000 2.213 353 W HA 0.726 5.386 4.660 -0.001 0.000 0.356 353 W C 0.305 176.776 176.519 -0.080 0.000 1.273 353 W CA -0.979 56.251 57.345 -0.192 0.000 1.391 353 W CB 0.757 30.076 29.460 -0.235 0.000 1.187 353 W HN 0.541 nan 8.180 nan 0.000 0.649 354 V N 3.217 123.195 119.914 0.107 0.000 2.546 354 V HA 0.742 4.862 4.120 -0.001 0.000 0.284 354 V C 0.519 176.680 176.094 0.111 0.000 1.050 354 V CA 0.353 62.683 62.300 0.050 0.000 0.981 354 V CB 0.175 32.021 31.823 0.039 0.000 0.990 354 V HN 1.755 nan 8.190 nan 0.000 0.474 355 G N 5.909 114.740 108.800 0.050 0.000 2.880 355 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.617 355 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.617 355 G C 0.287 175.261 174.900 0.123 0.000 1.493 355 G CA 0.340 45.490 45.100 0.084 0.000 0.916 355 G HN 1.022 nan 8.290 nan 0.000 0.553 356 R N -0.478 120.082 120.500 0.100 0.000 2.083 356 R HA -0.001 4.339 4.340 -0.001 0.000 0.237 356 R C 1.942 178.175 176.300 -0.111 0.000 1.137 356 R CA 2.362 58.468 56.100 0.010 0.000 0.951 356 R CB -0.116 30.201 30.300 0.028 0.000 0.851 356 R HN 0.520 nan 8.270 nan 0.000 0.434 357 F N -1.372 118.719 119.950 0.235 0.000 2.819 357 F HA 0.258 4.785 4.527 -0.001 0.000 0.325 357 F C 0.564 176.398 175.800 0.057 0.000 1.041 357 F CA -0.513 57.575 58.000 0.146 0.000 1.184 357 F CB 0.727 39.808 39.000 0.135 0.000 1.019 357 F HN -0.126 nan 8.300 nan 0.000 0.590 358 R N -0.500 120.149 120.500 0.249 0.000 2.728 358 R HA 0.448 4.787 4.340 -0.001 0.000 0.274 358 R C -3.368 173.000 176.300 0.113 0.000 1.030 358 R CA -1.889 54.283 56.100 0.120 0.000 0.876 358 R CB 0.443 30.773 30.300 0.050 0.000 1.259 358 R HN -0.345 nan 8.270 nan 0.000 0.468 359 P HA -0.044 nan 4.420 nan 0.000 0.265 359 P C -0.150 177.176 177.300 0.044 0.000 1.193 359 P CA 0.175 63.298 63.100 0.039 0.000 0.765 359 P CB 0.777 32.474 31.700 -0.005 0.000 0.823 360 S N 2.260 117.993 115.700 0.055 0.000 2.573 360 S HA 0.044 4.513 4.470 -0.001 0.000 0.277 360 S C 0.273 174.886 174.600 0.022 0.000 1.346 360 S CA -0.566 57.678 58.200 0.075 0.000 1.034 360 S CB 0.007 63.267 63.200 0.101 0.000 0.879 360 S HN 0.460 nan 8.310 nan 0.000 0.528 361 E N 3.852 124.078 120.200 0.043 0.000 2.343 361 E HA 0.424 4.773 4.350 -0.001 0.000 0.269 361 E C -2.790 173.761 176.600 -0.082 0.000 1.047 361 E CA -2.198 54.173 56.400 -0.048 0.000 0.874 361 E CB 0.437 30.110 29.700 -0.045 0.000 1.033 361 E HN 0.384 nan 8.360 nan 0.000 0.409 362 P HA 0.276 nan 4.420 nan 0.000 0.284 362 P C -0.786 176.314 177.300 -0.334 0.000 1.258 362 P CA -0.392 62.526 63.100 -0.304 0.000 0.824 362 P CB 0.820 32.016 31.700 -0.839 0.000 1.038 363 H N 1.794 120.838 119.070 -0.042 0.000 2.762 363 H HA 0.300 4.855 4.556 -0.001 0.000 0.310 363 H C -0.436 174.989 175.328 0.162 0.000 1.004 363 H CA -0.308 55.812 56.048 0.120 0.000 1.267 363 H CB 0.317 30.182 29.762 0.171 0.000 1.437 363 H HN 0.311 nan 8.280 nan 0.000 0.498 364 F N 1.984 122.118 119.950 0.307 0.000 2.399 364 F HA 0.063 4.590 4.527 -0.001 0.000 0.342 364 F C 1.607 177.593 175.800 0.310 0.000 1.106 364 F CA -0.462 57.724 58.000 0.309 0.000 1.196 364 F CB 1.070 40.190 39.000 0.200 0.000 1.163 364 F HN 0.373 nan 8.300 nan 0.000 0.547 365 T N 1.621 116.477 114.554 0.503 0.000 2.813 365 T HA 0.051 4.400 4.350 -0.001 0.000 0.297 365 T C 1.352 176.242 174.700 0.316 0.000 1.036 365 T CA -0.891 61.436 62.100 0.379 0.000 1.044 365 T CB 0.781 69.859 68.868 0.350 0.000 0.993 365 T HN 0.634 nan 8.240 nan 0.000 0.535 366 L N 1.294 122.656 121.223 0.231 0.000 2.051 366 L HA -0.166 4.174 4.340 -0.001 0.000 0.214 366 L C 2.173 179.147 176.870 0.173 0.000 1.076 366 L CA 2.961 57.911 54.840 0.183 0.000 0.758 366 L CB -1.369 40.774 42.059 0.140 0.000 0.890 366 L HN 1.006 nan 8.230 nan 0.000 0.433 367 D N -1.227 119.278 120.400 0.175 0.000 2.348 367 D HA -0.028 4.612 4.640 -0.001 0.000 0.216 367 D C 1.504 177.907 176.300 0.171 0.000 0.970 367 D CA 0.943 55.035 54.000 0.155 0.000 0.889 367 D CB -0.514 40.368 40.800 0.137 0.000 0.912 367 D HN 0.442 nan 8.370 nan 0.000 0.524 368 G N 0.471 109.412 108.800 0.235 0.000 2.160 368 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.251 368 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.251 368 G C 0.696 175.774 174.900 0.297 0.000 1.008 368 G CA 0.374 45.625 45.100 0.252 0.000 0.724 368 G HN 0.393 nan 8.290 nan 0.000 0.514 369 N N -0.190 118.679 118.700 0.282 0.000 2.236 369 N HA 0.277 5.017 4.740 -0.001 0.000 0.196 369 N C 0.333 175.988 175.510 0.241 0.000 1.114 369 N CA 0.921 54.110 53.050 0.232 0.000 0.859 369 N CB 0.932 39.511 38.487 0.154 0.000 0.982 369 N HN 0.386 nan 8.380 nan 0.000 0.493 370 S N -0.193 115.707 115.700 0.334 0.000 2.550 370 S HA 0.690 5.159 4.470 -0.001 0.000 0.270 370 S C -1.911 172.853 174.600 0.275 0.000 1.145 370 S CA -0.756 57.553 58.200 0.181 0.000 0.852 370 S CB 0.829 64.145 63.200 0.194 0.000 1.119 370 S HN 0.152 nan 8.310 nan 0.000 0.465 371 F N 0.449 120.319 119.950 -0.133 0.000 2.668 371 F HA 0.770 5.296 4.527 -0.001 0.000 0.309 371 F C -2.046 173.619 175.800 -0.224 0.000 1.117 371 F CA -1.222 56.604 58.000 -0.290 0.000 0.951 371 F CB 0.604 39.047 39.000 -0.930 0.000 1.323 371 F HN 0.485 nan 8.300 nan 0.000 0.451 372 Y N 1.154 121.595 120.300 0.234 0.000 2.446 372 Y HA 0.739 5.288 4.550 -0.001 0.000 0.338 372 Y C -0.147 175.908 175.900 0.258 0.000 1.055 372 Y CA -0.869 57.356 58.100 0.209 0.000 1.101 372 Y CB 2.207 40.721 38.460 0.090 0.000 1.221 372 Y HN 0.751 nan 8.280 nan 0.000 0.460 373 K N 1.871 122.494 120.400 0.371 0.000 2.562 373 K HA 0.512 4.832 4.320 -0.001 0.000 0.267 373 K C -1.894 174.842 176.600 0.226 0.000 0.938 373 K CA -0.532 55.926 56.287 0.285 0.000 0.840 373 K CB 1.596 34.226 32.500 0.216 0.000 1.390 373 K HN 0.676 nan 8.250 nan 0.000 0.428 374 I N 6.083 126.759 120.570 0.177 0.000 2.337 374 I HA 0.302 4.472 4.170 -0.001 0.000 0.291 374 I C 0.106 176.309 176.117 0.144 0.000 1.046 374 I CA -0.387 60.996 61.300 0.139 0.000 1.324 374 I CB 0.250 38.319 38.000 0.114 0.000 1.409 374 I HN 0.460 nan 8.210 nan 0.000 0.494 375 I N 2.458 123.134 120.570 0.177 0.000 2.934 375 I HA 0.563 4.732 4.170 -0.001 0.000 0.306 375 I C -0.076 176.176 176.117 0.224 0.000 1.110 375 I CA -0.823 60.586 61.300 0.183 0.000 1.019 375 I CB 2.298 40.423 38.000 0.208 0.000 1.227 375 I HN 0.460 nan 8.210 nan 0.000 0.434 376 S N 2.612 118.385 115.700 0.122 0.000 2.528 376 S HA 0.260 4.730 4.470 -0.001 0.000 0.277 376 S C -0.071 174.580 174.600 0.086 0.000 1.297 376 S CA -0.767 57.456 58.200 0.038 0.000 1.052 376 S CB 0.238 63.391 63.200 -0.079 0.000 0.917 376 S HN 0.814 nan 8.310 nan 0.000 0.492 377 N N 1.533 120.182 118.700 -0.085 0.000 2.327 377 N HA 0.041 4.781 4.740 -0.001 0.000 0.257 377 N C 1.202 176.590 175.510 -0.202 0.000 1.281 377 N CA -0.425 52.379 53.050 -0.409 0.000 0.942 377 N CB 0.144 38.021 38.487 -1.017 0.000 1.199 377 N HN 0.709 nan 8.380 nan 0.000 0.532 378 E N -0.329 119.734 120.200 -0.228 0.000 2.219 378 E HA -0.279 4.070 4.350 -0.001 0.000 0.198 378 E C -0.015 176.530 176.600 -0.091 0.000 0.998 378 E CA 1.612 57.945 56.400 -0.111 0.000 0.818 378 E CB -0.487 29.152 29.700 -0.102 0.000 0.741 378 E HN 0.847 nan 8.360 nan 0.000 0.477 379 E N -0.109 120.034 120.200 -0.095 0.000 2.465 379 E HA 0.255 4.604 4.350 -0.001 0.000 0.195 379 E C 0.666 177.247 176.600 -0.033 0.000 1.028 379 E CA 0.227 56.615 56.400 -0.020 0.000 0.899 379 E CB 0.544 30.270 29.700 0.044 0.000 1.032 379 E HN 0.475 nan 8.360 nan 0.000 0.468 380 G N 1.181 109.907 108.800 -0.125 0.000 2.176 380 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.253 380 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.253 380 G C -0.242 174.399 174.900 -0.432 0.000 0.979 380 G CA -0.070 44.860 45.100 -0.283 0.000 0.641 380 G HN 0.265 nan 8.290 nan 0.000 0.530 381 Y N 0.346 120.524 120.300 -0.203 0.000 2.323 381 Y HA 0.653 5.203 4.550 -0.001 0.000 0.331 381 Y C 1.168 176.904 175.900 -0.273 0.000 1.092 381 Y CA -0.785 57.168 58.100 -0.245 0.000 1.150 381 Y CB 0.996 39.323 38.460 -0.222 0.000 1.200 381 Y HN 0.055 nan 8.280 nan 0.000 0.472 382 R N 3.602 123.955 120.500 -0.245 0.000 2.216 382 R HA 0.306 4.646 4.340 -0.001 0.000 0.332 382 R C -0.812 175.216 176.300 -0.454 0.000 1.056 382 R CA -0.211 55.761 56.100 -0.214 0.000 0.901 382 R CB 0.200 30.420 30.300 -0.133 0.000 1.039 382 R HN 0.675 nan 8.270 nan 0.000 0.456 383 H N 1.814 120.887 119.070 0.005 0.000 2.907 383 H HA 0.332 4.888 4.556 -0.001 0.000 0.361 383 H C -0.229 175.154 175.328 0.091 0.000 1.194 383 H CA -0.973 55.054 56.048 -0.035 0.000 1.152 383 H CB 1.660 31.343 29.762 -0.131 0.000 1.867 383 H HN 0.326 nan 8.280 nan 0.000 0.561 384 I N 1.440 122.080 120.570 0.118 0.000 2.363 384 I HA 0.024 4.193 4.170 -0.001 0.000 0.292 384 I C 0.401 176.502 176.117 -0.027 0.000 1.075 384 I CA 0.130 61.451 61.300 0.035 0.000 1.333 384 I CB 0.138 38.089 38.000 -0.082 0.000 1.415 384 I HN 0.143 nan 8.210 nan 0.000 0.502 385 c N 7.046 125.569 118.600 -0.130 0.000 2.350 385 c HA 0.316 4.885 4.570 -0.001 0.000 0.348 385 c C -0.176 173.756 174.090 -0.265 0.000 1.260 385 c CA -0.520 55.503 56.329 -0.510 0.000 1.966 385 c CB 0.331 42.271 42.510 -0.950 0.000 2.380 385 c HN 0.697 nan 8.230 nan 0.000 0.535 386 Y N 4.732 124.677 120.300 -0.593 0.000 2.353 386 Y HA 0.591 5.140 4.550 -0.001 0.000 0.340 386 Y C -0.902 174.547 175.900 -0.751 0.000 0.972 386 Y CA -0.717 57.017 58.100 -0.610 0.000 1.157 386 Y CB 0.392 38.582 38.460 -0.451 0.000 1.157 386 Y HN 0.671 nan 8.280 nan 0.000 0.495 387 F N 3.977 123.290 119.950 -1.061 0.000 2.480 387 F HA 0.371 4.897 4.527 -0.001 0.000 0.329 387 F C -0.138 174.981 175.800 -1.135 0.000 1.091 387 F CA -0.956 56.347 58.000 -1.161 0.000 0.972 387 F CB 1.743 39.697 39.000 -1.744 0.000 1.150 387 F HN 0.445 nan 8.300 nan 0.000 0.467 388 Q N 1.442 120.921 119.800 -0.534 0.000 2.230 388 Q HA 0.340 4.680 4.340 -0.001 0.000 0.248 388 Q C 0.795 176.782 176.000 -0.021 0.000 0.915 388 Q CA -0.227 55.404 55.803 -0.287 0.000 0.900 388 Q CB 1.551 30.165 28.738 -0.207 0.000 1.229 388 Q HN 0.689 nan 8.270 nan 0.000 0.439 389 I N 0.986 121.628 120.570 0.120 0.000 2.454 389 I HA -0.212 3.957 4.170 -0.001 0.000 0.254 389 I C 0.687 177.009 176.117 0.343 0.000 1.156 389 I CA 1.529 63.025 61.300 0.327 0.000 1.433 389 I CB 0.218 38.402 38.000 0.307 0.000 1.082 389 I HN 0.667 nan 8.210 nan 0.000 0.432 390 D N 0.062 120.569 120.400 0.178 0.000 2.349 390 D HA 0.083 4.723 4.640 -0.001 0.000 0.214 390 D C 0.337 176.669 176.300 0.053 0.000 1.063 390 D CA 0.323 54.382 54.000 0.098 0.000 0.847 390 D CB 0.459 41.292 40.800 0.054 0.000 0.933 390 D HN 0.279 nan 8.370 nan 0.000 0.513 391 K N 1.201 121.657 120.400 0.093 0.000 2.345 391 K HA 0.184 4.504 4.320 -0.001 0.000 0.255 391 K C 0.885 177.531 176.600 0.076 0.000 0.934 391 K CA -0.552 55.753 56.287 0.030 0.000 0.801 391 K CB 3.025 35.504 32.500 -0.035 0.000 1.137 391 K HN -0.256 nan 8.250 nan 0.000 0.424 392 K N 1.624 122.014 120.400 -0.018 0.000 2.026 392 K HA -0.086 4.233 4.320 -0.001 0.000 0.208 392 K C -0.173 176.444 176.600 0.028 0.000 1.048 392 K CA 1.498 57.778 56.287 -0.012 0.000 0.929 392 K CB 0.167 32.642 32.500 -0.042 0.000 0.713 392 K HN 0.593 nan 8.250 nan 0.000 0.439 393 D N 1.018 121.383 120.400 -0.059 0.000 2.339 393 D HA 0.067 4.707 4.640 -0.001 0.000 0.245 393 D C 0.220 176.326 176.300 -0.323 0.000 1.115 393 D CA -0.095 53.817 54.000 -0.147 0.000 0.917 393 D CB 1.039 41.763 40.800 -0.126 0.000 1.192 393 D HN 0.354 nan 8.370 nan 0.000 0.428 394 c N -0.688 117.585 118.600 -0.544 0.000 2.848 394 c HA 0.861 5.431 4.570 -0.001 0.000 0.317 394 c C 0.145 173.866 174.090 -0.615 0.000 1.260 394 c CA -0.866 54.931 56.329 -0.887 0.000 1.656 394 c CB 1.236 42.617 42.510 -1.881 0.000 2.174 394 c HN 0.654 nan 8.230 nan 0.000 0.479 395 T N -0.472 113.763 114.554 -0.531 0.000 2.797 395 T HA 0.629 4.979 4.350 -0.001 0.000 0.279 395 T C -0.871 173.625 174.700 -0.339 0.000 0.991 395 T CA -0.237 61.691 62.100 -0.285 0.000 0.979 395 T CB 0.452 69.282 68.868 -0.063 0.000 0.943 395 T HN 0.525 nan 8.240 nan 0.000 0.444 396 F N 3.893 123.732 119.950 -0.185 0.000 2.504 396 F HA 0.304 4.830 4.527 -0.001 0.000 0.369 396 F C 1.617 177.256 175.800 -0.268 0.000 1.082 396 F CA -0.892 56.982 58.000 -0.210 0.000 1.216 396 F CB 0.657 39.534 39.000 -0.205 0.000 1.108 396 F HN 0.682 nan 8.300 nan 0.000 0.554 397 I N -0.654 119.778 120.570 -0.230 0.000 3.462 397 I HA 0.175 4.345 4.170 -0.001 0.000 0.290 397 I C 0.419 176.354 176.117 -0.302 0.000 1.236 397 I CA 0.209 61.156 61.300 -0.587 0.000 1.418 397 I CB 0.086 37.487 38.000 -0.999 0.000 1.102 397 I HN 0.482 nan 8.210 nan 0.000 0.441 398 T N 0.556 114.994 114.554 -0.193 0.000 2.908 398 T HA 0.691 5.040 4.350 -0.001 0.000 0.290 398 T C -0.592 173.752 174.700 -0.595 0.000 1.034 398 T CA -0.726 61.252 62.100 -0.203 0.000 1.010 398 T CB 2.530 71.346 68.868 -0.086 0.000 1.068 398 T HN 0.496 nan 8.240 nan 0.000 0.481 399 K N -0.106 119.800 120.400 -0.825 0.000 2.578 399 K HA 0.807 5.127 4.320 -0.001 0.000 0.287 399 K C -0.466 175.527 176.600 -1.012 0.000 1.010 399 K CA -1.017 54.469 56.287 -1.334 0.000 0.889 399 K CB 1.431 33.522 32.500 -0.681 0.000 1.514 399 K HN 1.521 nan 8.250 nan 0.000 0.424 400 G N -0.169 108.088 108.800 -0.904 0.000 2.347 400 G HA2 0.051 4.010 3.960 -0.001 0.000 0.477 400 G HA3 0.051 4.010 3.960 -0.001 0.000 0.477 400 G C -0.647 173.772 174.900 -0.802 0.000 1.349 400 G CA -0.345 44.412 45.100 -0.571 0.000 1.000 400 G HN 0.957 nan 8.290 nan 0.000 0.605 401 T N -0.505 113.709 114.554 -0.566 0.000 3.843 401 T HA 0.543 4.893 4.350 -0.001 0.000 0.227 401 T C 0.292 174.809 174.700 -0.305 0.000 1.043 401 T CA 0.591 62.146 62.100 -0.909 0.000 1.012 401 T CB -0.927 67.650 68.868 -0.485 0.000 1.279 401 T HN 1.443 nan 8.240 nan 0.000 0.730 402 W N -0.476 120.665 121.300 -0.265 0.000 2.923 402 W HA 0.709 5.368 4.660 -0.001 0.000 0.373 402 W C -1.370 175.153 176.519 0.006 0.000 1.205 402 W CA -1.031 56.304 57.345 -0.016 0.000 1.180 402 W CB 0.748 30.196 29.460 -0.020 0.000 1.477 402 W HN 0.134 nan 8.180 nan 0.000 0.581 403 E N 0.618 120.968 120.200 0.250 0.000 2.367 403 E HA 0.428 4.778 4.350 -0.001 0.000 0.273 403 E C -1.322 175.361 176.600 0.139 0.000 0.903 403 E CA -1.096 55.250 56.400 -0.090 0.000 0.764 403 E CB 3.447 33.162 29.700 0.024 0.000 1.252 403 E HN 0.166 nan 8.360 nan 0.000 0.446 404 V N 4.159 124.030 119.914 -0.070 0.000 2.432 404 V HA 0.033 4.152 4.120 -0.001 0.000 0.271 404 V C 1.299 177.480 176.094 0.144 0.000 1.046 404 V CA -0.116 62.250 62.300 0.110 0.000 0.945 404 V CB 0.518 32.318 31.823 -0.039 0.000 0.992 404 V HN 0.680 nan 8.190 nan 0.000 0.471 405 I N 3.382 124.073 120.570 0.201 0.000 2.193 405 I HA 0.172 4.341 4.170 -0.001 0.000 0.240 405 I C 1.170 177.406 176.117 0.198 0.000 1.084 405 I CA 1.318 62.735 61.300 0.196 0.000 1.365 405 I CB -0.883 37.179 38.000 0.104 0.000 1.064 405 I HN 0.728 nan 8.210 nan 0.000 0.410 406 G N 0.683 109.598 108.800 0.192 0.000 2.720 406 G HA2 0.595 4.554 3.960 -0.001 0.000 0.295 406 G HA3 0.595 4.554 3.960 -0.001 0.000 0.295 406 G C -1.182 173.813 174.900 0.159 0.000 1.437 406 G CA -0.524 44.685 45.100 0.182 0.000 0.886 406 G HN -0.000 nan 8.290 nan 0.000 0.509 407 I N 1.852 122.463 120.570 0.068 0.000 2.312 407 I HA 0.234 4.404 4.170 -0.001 0.000 0.291 407 I C 0.636 176.677 176.117 -0.126 0.000 1.031 407 I CA -0.602 60.624 61.300 -0.123 0.000 1.293 407 I CB 1.720 39.414 38.000 -0.510 0.000 1.403 407 I HN 0.473 nan 8.210 nan 0.000 0.484 408 E N 4.943 125.139 120.200 -0.008 0.000 2.216 408 E HA 0.298 4.647 4.350 -0.001 0.000 0.192 408 E C 0.296 176.847 176.600 -0.082 0.000 0.973 408 E CA 0.260 56.698 56.400 0.063 0.000 0.851 408 E CB 0.631 30.454 29.700 0.205 0.000 0.804 408 E HN 0.706 nan 8.360 nan 0.000 0.477 409 A N 0.417 123.103 122.820 -0.223 0.000 2.599 409 A HA 0.562 4.881 4.320 -0.001 0.000 0.294 409 A C -2.045 175.449 177.584 -0.149 0.000 1.055 409 A CA -0.693 51.151 52.037 -0.321 0.000 0.683 409 A CB 1.075 19.481 19.000 -0.989 0.000 1.278 409 A HN 0.040 nan 8.150 nan 0.000 0.412 410 L N 1.654 122.834 121.223 -0.073 0.000 2.439 410 L HA 0.775 5.115 4.340 -0.001 0.000 0.270 410 L C 0.321 177.205 176.870 0.023 0.000 0.972 410 L CA 0.530 55.351 54.840 -0.031 0.000 0.836 410 L CB 1.859 43.915 42.059 -0.005 0.000 1.255 410 L HN 1.221 nan 8.230 nan 0.000 0.404 411 T N -0.031 114.555 114.554 0.053 0.000 2.864 411 T HA 0.427 4.776 4.350 -0.001 0.000 0.276 411 T C 0.990 175.721 174.700 0.052 0.000 1.006 411 T CA 0.128 62.273 62.100 0.076 0.000 0.970 411 T CB 0.940 69.889 68.868 0.134 0.000 1.420 411 T HN 0.621 nan 8.240 nan 0.000 0.601 412 S N -1.202 114.531 115.700 0.055 0.000 2.562 412 S HA 0.119 4.588 4.470 -0.001 0.000 0.221 412 S C 0.429 175.010 174.600 -0.032 0.000 0.975 412 S CA 0.401 58.621 58.200 0.033 0.000 0.918 412 S CB -0.393 62.836 63.200 0.048 0.000 0.772 412 S HN 0.728 nan 8.310 nan 0.000 0.531 413 D N -0.979 119.380 120.400 -0.069 0.000 2.461 413 D HA 0.299 4.939 4.640 -0.001 0.000 0.266 413 D C -0.680 175.274 176.300 -0.578 0.000 1.085 413 D CA 0.309 54.136 54.000 -0.288 0.000 0.887 413 D CB 0.502 41.167 40.800 -0.226 0.000 1.309 413 D HN 0.375 nan 8.370 nan 0.000 0.498 414 Y N 0.167 120.400 120.300 -0.113 0.000 2.512 414 Y HA 0.528 5.077 4.550 -0.001 0.000 0.348 414 Y C -0.920 174.789 175.900 -0.319 0.000 0.990 414 Y CA -1.139 56.806 58.100 -0.258 0.000 1.033 414 Y CB 2.167 40.383 38.460 -0.407 0.000 1.259 414 Y HN -0.234 nan 8.280 nan 0.000 0.461 415 L N 3.152 124.234 121.223 -0.234 0.000 2.313 415 L HA 0.584 4.923 4.340 -0.001 0.000 0.283 415 L C -1.774 174.938 176.870 -0.264 0.000 1.013 415 L CA -0.578 54.105 54.840 -0.262 0.000 0.816 415 L CB 0.773 42.603 42.059 -0.382 0.000 1.236 415 L HN 0.606 nan 8.230 nan 0.000 0.419 416 Y N 5.041 125.265 120.300 -0.126 0.000 2.330 416 Y HA 0.515 5.065 4.550 -0.001 0.000 0.336 416 Y C -0.528 175.371 175.900 -0.002 0.000 1.036 416 Y CA -0.241 57.785 58.100 -0.124 0.000 1.125 416 Y CB 1.242 39.529 38.460 -0.288 0.000 1.194 416 Y HN 0.537 nan 8.280 nan 0.000 0.469 417 Y N 1.322 121.676 120.300 0.090 0.000 2.597 417 Y HA 0.758 5.307 4.550 -0.001 0.000 0.340 417 Y C -1.810 174.172 175.900 0.138 0.000 1.097 417 Y CA -1.837 56.310 58.100 0.077 0.000 1.037 417 Y CB 1.075 39.556 38.460 0.036 0.000 1.305 417 Y HN 0.278 nan 8.280 nan 0.000 0.463 418 I N 3.422 124.160 120.570 0.280 0.000 2.412 418 I HA 0.629 4.798 4.170 -0.001 0.000 0.296 418 I C -0.017 176.298 176.117 0.329 0.000 0.987 418 I CA -0.328 61.094 61.300 0.203 0.000 1.180 418 I CB 1.535 39.599 38.000 0.107 0.000 1.340 418 I HN 0.906 nan 8.210 nan 0.000 0.455 419 S N 3.680 119.554 115.700 0.290 0.000 2.671 419 S HA 0.448 4.918 4.470 -0.001 0.000 0.277 419 S C -0.309 174.388 174.600 0.163 0.000 1.165 419 S CA -0.779 57.590 58.200 0.281 0.000 0.822 419 S CB 1.897 65.328 63.200 0.385 0.000 1.150 419 S HN 0.592 nan 8.310 nan 0.000 0.479 420 N N -0.326 118.473 118.700 0.164 0.000 2.273 420 N HA 0.136 4.876 4.740 -0.001 0.000 0.231 420 N C 0.699 176.237 175.510 0.046 0.000 1.134 420 N CA -0.088 53.012 53.050 0.083 0.000 0.856 420 N CB 0.100 38.619 38.487 0.053 0.000 1.068 420 N HN 0.816 nan 8.380 nan 0.000 0.510 421 E N 0.281 120.392 120.200 -0.149 0.000 2.085 421 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 421 E C -0.329 176.159 176.600 -0.186 0.000 0.994 421 E CA 0.391 56.461 56.400 -0.550 0.000 0.801 421 E CB -0.150 28.608 29.700 -1.570 0.000 0.743 421 E HN 0.530 nan 8.360 nan 0.000 0.453 422 Y N 1.576 121.818 120.300 -0.096 0.000 2.805 422 Y HA -0.177 4.372 4.550 -0.001 0.000 0.331 422 Y C 0.470 176.348 175.900 -0.037 0.000 1.241 422 Y CA 0.978 59.056 58.100 -0.037 0.000 1.546 422 Y CB 0.271 38.729 38.460 -0.004 0.000 1.248 422 Y HN 0.081 nan 8.280 nan 0.000 0.559 423 K N 3.462 123.540 120.400 -0.536 0.000 3.104 423 K HA -0.255 4.064 4.320 -0.001 0.000 0.285 423 K C 0.697 177.228 176.600 -0.114 0.000 1.136 423 K CA 0.783 56.841 56.287 -0.382 0.000 0.842 423 K CB -1.801 30.432 32.500 -0.444 0.000 1.217 423 K HN 1.235 nan 8.250 nan 0.000 0.467 424 G N 0.975 109.728 108.800 -0.078 0.000 2.366 424 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.299 424 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.299 424 G C -0.053 174.853 174.900 0.010 0.000 1.020 424 G CA 0.899 46.004 45.100 0.008 0.000 1.026 424 G HN 0.332 nan 8.290 nan 0.000 0.512 425 M N -0.290 119.246 119.600 -0.106 0.000 2.023 425 M HA 0.250 4.730 4.480 -0.001 0.000 0.325 425 M C -1.550 174.529 176.300 -0.369 0.000 0.963 425 M CA -2.057 53.019 55.300 -0.373 0.000 0.928 425 M CB 2.103 34.555 32.600 -0.246 0.000 1.429 425 M HN -0.126 nan 8.290 nan 0.000 0.404 426 P HA -0.085 nan 4.420 nan 0.000 0.221 426 P C 1.217 178.392 177.300 -0.208 0.000 1.145 426 P CA 1.025 63.969 63.100 -0.260 0.000 0.795 426 P CB 0.237 31.773 31.700 -0.273 0.000 0.775 427 G N -1.263 107.355 108.800 -0.304 0.000 3.042 427 G HA2 0.230 4.190 3.960 -0.001 0.000 0.212 427 G HA3 0.230 4.190 3.960 -0.001 0.000 0.212 427 G C 0.712 175.639 174.900 0.045 0.000 1.166 427 G CA 0.125 45.169 45.100 -0.093 0.000 0.767 427 G HN 0.374 nan 8.290 nan 0.000 0.546 428 G N -0.197 108.578 108.800 -0.041 0.000 2.488 428 G HA2 0.627 4.587 3.960 -0.001 0.000 0.318 428 G HA3 0.627 4.587 3.960 -0.001 0.000 0.318 428 G C -0.744 174.069 174.900 -0.145 0.000 1.188 428 G CA -0.712 44.391 45.100 0.005 0.000 0.944 428 G HN 0.098 nan 8.290 nan 0.000 0.495 429 R N 0.394 120.763 120.500 -0.219 0.000 2.522 429 R HA 0.317 4.657 4.340 -0.001 0.000 0.283 429 R C -1.462 174.798 176.300 -0.065 0.000 1.074 429 R CA -0.768 55.176 56.100 -0.260 0.000 0.925 429 R CB 1.868 31.770 30.300 -0.662 0.000 1.205 429 R HN 0.679 nan 8.270 nan 0.000 0.436 430 N N 0.693 119.388 118.700 -0.009 0.000 2.284 430 N HA 0.423 5.163 4.740 -0.001 0.000 0.289 430 N C -1.406 173.990 175.510 -0.189 0.000 1.179 430 N CA -0.821 52.138 53.050 -0.151 0.000 0.774 430 N CB 2.147 40.407 38.487 -0.379 0.000 1.548 430 N HN 0.300 nan 8.380 nan 0.000 0.473 431 L N 2.329 123.313 121.223 -0.399 0.000 2.281 431 L HA 0.475 4.814 4.340 -0.001 0.000 0.285 431 L C -1.581 174.966 176.870 -0.538 0.000 1.074 431 L CA 0.061 54.694 54.840 -0.344 0.000 0.817 431 L CB -0.298 41.548 42.059 -0.355 0.000 1.168 431 L HN 0.511 nan 8.230 nan 0.000 0.434 432 Y N 3.697 123.646 120.300 -0.586 0.000 2.549 432 Y HA 0.578 5.128 4.550 -0.001 0.000 0.339 432 Y C -0.308 175.216 175.900 -0.627 0.000 1.053 432 Y CA -0.893 56.813 58.100 -0.657 0.000 1.105 432 Y CB 1.682 39.595 38.460 -0.911 0.000 1.258 432 Y HN 0.542 nan 8.280 nan 0.000 0.478 433 K N 2.365 122.584 120.400 -0.300 0.000 2.324 433 K HA 0.737 5.056 4.320 -0.001 0.000 0.253 433 K C -1.791 174.761 176.600 -0.079 0.000 0.932 433 K CA -0.716 55.342 56.287 -0.382 0.000 0.799 433 K CB 2.610 34.636 32.500 -0.790 0.000 1.154 433 K HN 0.777 nan 8.250 nan 0.000 0.425 434 I N 2.134 122.728 120.570 0.040 0.000 2.433 434 I HA 0.158 4.328 4.170 -0.001 0.000 0.292 434 I C -0.767 175.426 176.117 0.125 0.000 1.001 434 I CA -0.811 60.583 61.300 0.157 0.000 1.119 434 I CB 1.986 40.106 38.000 0.200 0.000 1.289 434 I HN 0.847 nan 8.210 nan 0.000 0.438 435 Q N 5.536 125.395 119.800 0.098 0.000 2.281 435 Q HA 0.090 4.430 4.340 -0.001 0.000 0.267 435 Q C 0.296 176.229 176.000 -0.111 0.000 1.053 435 Q CA -0.503 55.173 55.803 -0.211 0.000 0.905 435 Q CB 1.121 29.767 28.738 -0.153 0.000 1.195 435 Q HN 0.754 nan 8.270 nan 0.000 0.398 436 L N 3.131 124.233 121.223 -0.202 0.000 2.187 436 L HA -0.195 4.145 4.340 -0.001 0.000 0.213 436 L C 2.163 178.944 176.870 -0.148 0.000 1.100 436 L CA 1.935 56.738 54.840 -0.061 0.000 0.765 436 L CB -0.719 41.265 42.059 -0.126 0.000 0.904 436 L HN 0.724 nan 8.230 nan 0.000 0.437 437 S N -3.017 112.550 115.700 -0.221 0.000 2.575 437 S HA 0.085 4.554 4.470 -0.001 0.000 0.215 437 S C 0.436 174.861 174.600 -0.292 0.000 0.966 437 S CA -0.106 57.949 58.200 -0.241 0.000 0.911 437 S CB 0.115 63.212 63.200 -0.171 0.000 0.780 437 S HN 0.357 nan 8.310 nan 0.000 0.514 438 D N -0.096 120.139 120.400 -0.274 0.000 2.318 438 D HA 0.220 4.860 4.640 -0.001 0.000 0.233 438 D C -0.592 175.682 176.300 -0.045 0.000 1.348 438 D CA -0.487 53.391 54.000 -0.204 0.000 0.983 438 D CB 0.226 40.965 40.800 -0.102 0.000 1.416 438 D HN -0.033 nan 8.370 nan 0.000 0.558 439 Y N 0.914 121.204 120.300 -0.015 0.000 2.571 439 Y HA -0.062 4.487 4.550 -0.001 0.000 0.294 439 Y C 2.528 178.441 175.900 0.022 0.000 1.141 439 Y CA 1.361 59.462 58.100 0.002 0.000 1.308 439 Y CB -0.710 37.754 38.460 0.005 0.000 1.002 439 Y HN 0.424 nan 8.280 nan 0.000 0.551 440 T N -3.096 111.545 114.554 0.145 0.000 3.043 440 T HA -0.019 4.330 4.350 -0.001 0.000 0.263 440 T C 0.865 175.619 174.700 0.089 0.000 1.094 440 T CA 0.277 62.436 62.100 0.098 0.000 1.127 440 T CB -0.050 68.852 68.868 0.056 0.000 0.905 440 T HN -0.132 nan 8.240 nan 0.000 0.490 441 K N 2.631 123.084 120.400 0.088 0.000 2.111 441 K HA 0.440 4.760 4.320 -0.001 0.000 0.249 441 K C -1.042 175.632 176.600 0.123 0.000 1.157 441 K CA -0.147 56.194 56.287 0.090 0.000 1.048 441 K CB 0.498 33.044 32.500 0.077 0.000 1.498 441 K HN 0.219 nan 8.250 nan 0.000 0.344 442 V N 2.473 122.456 119.914 0.115 0.000 2.409 442 V HA 0.259 4.379 4.120 -0.001 0.000 0.291 442 V C -0.076 176.077 176.094 0.099 0.000 1.020 442 V CA -0.616 61.764 62.300 0.133 0.000 0.848 442 V CB 1.890 33.812 31.823 0.164 0.000 0.990 442 V HN 0.506 nan 8.190 nan 0.000 0.430 443 T N 3.446 118.031 114.554 0.052 0.000 2.797 443 T HA 0.258 4.607 4.350 -0.001 0.000 0.279 443 T C -0.340 174.296 174.700 -0.106 0.000 0.991 443 T CA -0.323 61.759 62.100 -0.030 0.000 0.979 443 T CB 1.359 70.173 68.868 -0.091 0.000 0.943 443 T HN 0.714 nan 8.240 nan 0.000 0.444 444 C N 5.053 124.214 119.300 -0.231 0.000 2.373 444 C HA 0.406 4.865 4.460 -0.001 0.000 0.354 444 C C 1.682 176.362 174.990 -0.518 0.000 1.249 444 C CA -0.590 58.026 59.018 -0.670 0.000 1.784 444 C CB -1.919 25.306 27.740 -0.859 0.000 2.408 444 C HN 0.986 nan 8.230 nan 0.000 0.542 445 L N 4.619 125.516 121.223 -0.544 0.000 2.446 445 L HA 0.061 4.401 4.340 -0.001 0.000 0.219 445 L C 2.236 178.800 176.870 -0.510 0.000 1.116 445 L CA 1.000 55.589 54.840 -0.419 0.000 0.844 445 L CB -0.271 41.574 42.059 -0.358 0.000 0.970 445 L HN 0.878 nan 8.230 nan 0.000 0.457 446 S N -2.775 112.506 115.700 -0.699 0.000 2.539 446 S HA -0.036 4.433 4.470 -0.001 0.000 0.226 446 S C 1.957 176.169 174.600 -0.648 0.000 1.054 446 S CA 0.039 57.715 58.200 -0.874 0.000 0.910 446 S CB -0.411 61.853 63.200 -1.560 0.000 0.818 446 S HN 0.309 nan 8.310 nan 0.000 0.490 447 C N 2.653 121.543 119.300 -0.683 0.000 2.369 447 C HA -0.090 4.370 4.460 -0.001 0.000 0.273 447 C C 2.311 177.014 174.990 -0.479 0.000 1.172 447 C CA 1.334 59.879 59.018 -0.787 0.000 1.791 447 C CB -0.924 26.164 27.740 -1.088 0.000 2.086 447 C HN 0.604 nan 8.230 nan 0.000 0.459 448 E N -0.152 119.857 120.200 -0.320 0.000 2.498 448 E HA 0.208 4.558 4.350 -0.001 0.000 0.203 448 E C 1.880 178.422 176.600 -0.097 0.000 1.013 448 E CA -0.096 56.209 56.400 -0.158 0.000 0.927 448 E CB -0.238 29.392 29.700 -0.117 0.000 1.012 448 E HN 0.635 nan 8.360 nan 0.000 0.482 449 L N 0.632 121.789 121.223 -0.111 0.000 1.989 449 L HA -0.125 4.214 4.340 -0.001 0.000 0.211 449 L C 0.735 177.610 176.870 0.008 0.000 1.071 449 L CA 1.198 56.014 54.840 -0.040 0.000 0.749 449 L CB -0.124 41.920 42.059 -0.025 0.000 0.890 449 L HN 0.048 nan 8.230 nan 0.000 0.431 450 N N -1.228 117.494 118.700 0.037 0.000 2.675 450 N HA 0.162 4.902 4.740 -0.001 0.000 0.254 450 N C -2.137 173.390 175.510 0.028 0.000 1.224 450 N CA -0.768 52.298 53.050 0.027 0.000 0.777 450 N CB 1.861 40.362 38.487 0.024 0.000 1.256 450 N HN -0.115 nan 8.380 nan 0.000 0.531 451 P HA -0.136 nan 4.420 nan 0.000 0.215 451 P C 1.149 178.482 177.300 0.055 0.000 1.153 451 P CA 1.303 64.434 63.100 0.052 0.000 0.853 451 P CB 0.574 32.315 31.700 0.068 0.000 0.788 452 E N -0.665 119.553 120.200 0.030 0.000 2.107 452 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 452 E C 2.115 178.714 176.600 -0.002 0.000 0.982 452 E CA 0.997 57.408 56.400 0.018 0.000 0.809 452 E CB -0.215 29.488 29.700 0.006 0.000 0.756 452 E HN 0.263 nan 8.360 nan 0.000 0.459 453 R N -0.121 120.367 120.500 -0.020 0.000 2.237 453 R HA 0.096 4.435 4.340 -0.001 0.000 0.195 453 R C 0.054 176.306 176.300 -0.080 0.000 0.956 453 R CA 0.477 56.543 56.100 -0.056 0.000 1.029 453 R CB 0.364 30.625 30.300 -0.066 0.000 0.972 453 R HN -0.069 nan 8.270 nan 0.000 0.493 454 c N 0.944 119.506 118.600 -0.064 0.000 2.442 454 c HA 0.439 5.008 4.570 -0.001 0.000 0.335 454 c C -0.396 173.649 174.090 -0.074 0.000 1.134 454 c CA -0.596 55.638 56.329 -0.158 0.000 1.344 454 c CB 1.465 43.860 42.510 -0.191 0.000 1.956 454 c HN 0.616 nan 8.230 nan 0.000 0.438 455 Q N 0.542 120.292 119.800 -0.084 0.000 2.073 455 Q HA 0.210 4.550 4.340 -0.001 0.000 0.215 455 Q C -1.044 174.995 176.000 0.064 0.000 0.776 455 Q CA 0.070 55.901 55.803 0.047 0.000 1.008 455 Q CB 1.376 30.173 28.738 0.099 0.000 1.196 455 Q HN 0.782 nan 8.270 nan 0.000 0.458 456 Y N 0.378 120.546 120.300 -0.221 0.000 2.373 456 Y HA 0.386 4.936 4.550 -0.001 0.000 0.327 456 Y C -1.678 174.049 175.900 -0.287 0.000 1.036 456 Y CA -0.956 57.047 58.100 -0.161 0.000 1.265 456 Y CB 0.815 39.199 38.460 -0.126 0.000 1.108 456 Y HN -0.069 nan 8.280 nan 0.000 0.471 457 Y N 2.460 122.670 120.300 -0.150 0.000 2.468 457 Y HA 0.624 5.173 4.550 -0.001 0.000 0.342 457 Y C 0.261 176.097 175.900 -0.108 0.000 1.021 457 Y CA -0.500 57.534 58.100 -0.110 0.000 1.079 457 Y CB 2.227 40.595 38.460 -0.154 0.000 1.226 457 Y HN 0.523 nan 8.280 nan 0.000 0.460 458 S N 1.349 117.128 115.700 0.132 0.000 2.671 458 S HA 0.880 5.350 4.470 -0.001 0.000 0.299 458 S C -1.656 173.011 174.600 0.111 0.000 1.116 458 S CA -0.724 57.540 58.200 0.107 0.000 0.912 458 S CB 1.876 65.147 63.200 0.119 0.000 1.130 458 S HN 0.594 nan 8.310 nan 0.000 0.501 459 V N 0.459 120.436 119.914 0.104 0.000 2.925 459 V HA 0.815 4.935 4.120 -0.001 0.000 0.311 459 V C -1.122 175.045 176.094 0.122 0.000 1.104 459 V CA -0.304 62.032 62.300 0.060 0.000 0.954 459 V CB 2.307 34.088 31.823 -0.070 0.000 1.022 459 V HN 1.098 nan 8.190 nan 0.000 0.427 460 S N 5.266 121.036 115.700 0.116 0.000 2.733 460 S HA 0.657 5.126 4.470 -0.001 0.000 0.307 460 S C -1.010 173.723 174.600 0.221 0.000 1.127 460 S CA -0.392 57.965 58.200 0.262 0.000 1.097 460 S CB 0.280 63.697 63.200 0.362 0.000 1.003 460 S HN 0.489 nan 8.310 nan 0.000 0.477 461 F N 3.024 123.025 119.950 0.085 0.000 2.382 461 F HA 0.377 4.904 4.527 -0.001 0.000 0.331 461 F C 1.524 176.913 175.800 -0.683 0.000 1.121 461 F CA -0.171 57.712 58.000 -0.195 0.000 1.183 461 F CB 1.066 39.938 39.000 -0.215 0.000 1.207 461 F HN 0.603 nan 8.300 nan 0.000 0.555 462 S N 1.345 116.469 115.700 -0.960 0.000 2.626 462 S HA 0.162 4.632 4.470 -0.001 0.000 0.257 462 S C 1.186 175.567 174.600 -0.364 0.000 1.288 462 S CA -0.698 56.777 58.200 -1.209 0.000 0.980 462 S CB 0.711 63.203 63.200 -1.179 0.000 0.975 462 S HN 0.560 nan 8.310 nan 0.000 0.577 463 K N 0.685 120.970 120.400 -0.192 0.000 2.074 463 K HA -0.057 4.263 4.320 -0.001 0.000 0.209 463 K C 1.300 177.874 176.600 -0.044 0.000 1.048 463 K CA 1.864 58.121 56.287 -0.050 0.000 0.926 463 K CB -0.270 32.224 32.500 -0.010 0.000 0.713 463 K HN 0.741 nan 8.250 nan 0.000 0.444 464 E N -1.189 118.968 120.200 -0.072 0.000 2.585 464 E HA 0.279 4.628 4.350 -0.001 0.000 0.206 464 E C -0.560 176.003 176.600 -0.062 0.000 1.007 464 E CA 0.211 56.587 56.400 -0.040 0.000 1.028 464 E CB 0.605 30.300 29.700 -0.009 0.000 1.087 464 E HN 0.277 nan 8.360 nan 0.000 0.455 465 A N 1.610 124.377 122.820 -0.088 0.000 2.799 465 A HA -0.312 4.008 4.320 -0.001 0.000 0.287 465 A C 1.406 178.976 177.584 -0.023 0.000 1.484 465 A CA 1.598 53.615 52.037 -0.034 0.000 0.813 465 A CB -1.852 16.980 19.000 -0.281 0.000 1.009 465 A HN 0.354 nan 8.150 nan 0.000 0.545 466 K N -1.740 118.582 120.400 -0.130 0.000 2.155 466 K HA 0.066 4.386 4.320 -0.001 0.000 0.203 466 K C 0.121 176.381 176.600 -0.567 0.000 1.052 466 K CA 1.440 57.536 56.287 -0.318 0.000 0.948 466 K CB -0.001 32.285 32.500 -0.356 0.000 0.728 466 K HN 0.705 nan 8.250 nan 0.000 0.448 467 Y N -0.950 119.272 120.300 -0.130 0.000 2.605 467 Y HA 0.330 4.880 4.550 -0.001 0.000 0.343 467 Y C -0.916 174.874 175.900 -0.184 0.000 1.036 467 Y CA -1.455 56.560 58.100 -0.143 0.000 1.065 467 Y CB 1.486 39.896 38.460 -0.084 0.000 1.288 467 Y HN -0.054 nan 8.280 nan 0.000 0.481 468 Y N -1.214 119.019 120.300 -0.112 0.000 2.504 468 Y HA 0.517 5.067 4.550 -0.001 0.000 0.344 468 Y C -1.021 174.894 175.900 0.024 0.000 1.023 468 Y CA -1.596 56.297 58.100 -0.344 0.000 1.020 468 Y CB 1.377 39.127 38.460 -1.183 0.000 1.282 468 Y HN 0.601 nan 8.280 nan 0.000 0.454 469 Q N 3.652 123.576 119.800 0.207 0.000 2.256 469 Q HA 0.490 4.830 4.340 -0.001 0.000 0.254 469 Q C -1.526 174.567 176.000 0.156 0.000 0.916 469 Q CA -0.589 55.297 55.803 0.140 0.000 0.932 469 Q CB 1.114 29.909 28.738 0.095 0.000 1.207 469 Q HN 0.959 nan 8.270 nan 0.000 0.426 470 L N 4.061 125.396 121.223 0.187 0.000 2.309 470 L HA 0.519 4.859 4.340 -0.001 0.000 0.282 470 L C -0.018 176.909 176.870 0.095 0.000 1.036 470 L CA -0.461 54.479 54.840 0.167 0.000 0.806 470 L CB 1.467 43.620 42.059 0.156 0.000 1.220 470 L HN 0.535 nan 8.230 nan 0.000 0.429 471 R N 3.129 123.656 120.500 0.045 0.000 2.337 471 R HA 0.339 4.678 4.340 -0.001 0.000 0.319 471 R C -1.125 175.020 176.300 -0.258 0.000 0.954 471 R CA -0.498 55.447 56.100 -0.258 0.000 0.840 471 R CB 1.358 31.504 30.300 -0.257 0.000 1.164 471 R HN 0.730 nan 8.270 nan 0.000 0.472 472 c N 3.427 121.760 118.600 -0.446 0.000 2.325 472 c HA 0.399 4.969 4.570 -0.001 0.000 0.347 472 c C 0.873 174.741 174.090 -0.369 0.000 1.263 472 c CA -0.272 55.693 56.329 -0.607 0.000 1.806 472 c CB 0.766 42.884 42.510 -0.653 0.000 2.405 472 c HN 0.953 nan 8.230 nan 0.000 0.537 473 S N 3.061 118.628 115.700 -0.221 0.000 2.539 473 S HA 0.535 5.005 4.470 -0.001 0.000 0.221 473 S C 0.519 175.082 174.600 -0.062 0.000 0.987 473 S CA 0.535 58.677 58.200 -0.097 0.000 0.929 473 S CB 0.025 63.202 63.200 -0.039 0.000 0.832 473 S HN 1.471 nan 8.310 nan 0.000 0.492 474 G N 1.471 110.219 108.800 -0.086 0.000 2.361 474 G HA2 0.167 4.126 3.960 -0.001 0.000 0.305 474 G HA3 0.167 4.126 3.960 -0.001 0.000 0.305 474 G C -3.136 171.736 174.900 -0.046 0.000 1.367 474 G CA -0.763 44.322 45.100 -0.026 0.000 0.951 474 G HN -0.127 nan 8.290 nan 0.000 0.615 475 P HA 0.166 nan 4.420 nan 0.000 0.227 475 P C 1.484 178.788 177.300 0.006 0.000 1.161 475 P CA 1.479 64.597 63.100 0.031 0.000 0.788 475 P CB 0.228 31.946 31.700 0.030 0.000 0.822 476 G N 0.059 108.799 108.800 -0.100 0.000 2.516 476 G HA2 0.335 4.294 3.960 -0.001 0.000 0.276 476 G HA3 0.335 4.294 3.960 -0.001 0.000 0.276 476 G C -0.424 174.238 174.900 -0.397 0.000 1.390 476 G CA -0.698 44.255 45.100 -0.245 0.000 1.050 476 G HN 0.039 nan 8.290 nan 0.000 0.519 477 L N 1.385 122.316 121.223 -0.487 0.000 2.490 477 L HA 0.121 4.461 4.340 -0.001 0.000 0.274 477 L C -1.806 174.956 176.870 -0.180 0.000 1.201 477 L CA -1.168 53.416 54.840 -0.426 0.000 0.869 477 L CB 0.458 42.332 42.059 -0.307 0.000 1.123 477 L HN 0.239 nan 8.230 nan 0.000 0.484 478 P HA -0.006 nan 4.420 nan 0.000 0.263 478 P C -0.904 176.387 177.300 -0.015 0.000 1.175 478 P CA 0.140 63.218 63.100 -0.037 0.000 0.761 478 P CB 0.517 32.291 31.700 0.123 0.000 0.794 479 L N 5.034 126.151 121.223 -0.177 0.000 2.436 479 L HA 0.497 4.836 4.340 -0.001 0.000 0.268 479 L C -1.806 174.926 176.870 -0.229 0.000 0.974 479 L CA -0.667 54.129 54.840 -0.074 0.000 0.826 479 L CB 1.241 43.258 42.059 -0.070 0.000 1.291 479 L HN 0.252 nan 8.230 nan 0.000 0.406 480 Y N 2.721 122.991 120.300 -0.051 0.000 2.341 480 Y HA 0.734 5.283 4.550 -0.001 0.000 0.338 480 Y C 0.267 176.068 175.900 -0.165 0.000 0.965 480 Y CA -0.544 57.505 58.100 -0.085 0.000 1.108 480 Y CB 2.236 40.626 38.460 -0.116 0.000 1.180 480 Y HN 0.674 nan 8.280 nan 0.000 0.458 481 T N 1.493 116.037 114.554 -0.017 0.000 2.903 481 T HA 0.632 4.982 4.350 -0.001 0.000 0.299 481 T C -1.296 173.252 174.700 -0.254 0.000 1.093 481 T CA -0.923 61.083 62.100 -0.157 0.000 1.002 481 T CB 1.753 70.565 68.868 -0.093 0.000 1.127 481 T HN 0.522 nan 8.240 nan 0.000 0.488 482 L N 2.246 123.187 121.223 -0.470 0.000 2.334 482 L HA 0.577 4.916 4.340 -0.001 0.000 0.276 482 L C -0.647 175.795 176.870 -0.713 0.000 1.014 482 L CA -0.792 53.810 54.840 -0.397 0.000 0.815 482 L CB 1.355 43.272 42.059 -0.236 0.000 1.268 482 L HN 0.833 nan 8.230 nan 0.000 0.428 483 H N 1.367 120.193 119.070 -0.408 0.000 2.894 483 H HA 0.247 4.803 4.556 -0.001 0.000 0.367 483 H C -0.668 174.407 175.328 -0.423 0.000 1.144 483 H CA -0.736 54.965 56.048 -0.578 0.000 1.180 483 H CB 2.237 31.263 29.762 -1.226 0.000 1.758 483 H HN 0.523 nan 8.280 nan 0.000 0.541 484 S N 0.702 116.351 115.700 -0.085 0.000 2.499 484 S HA 0.101 4.570 4.470 -0.001 0.000 0.279 484 S C 1.180 175.753 174.600 -0.044 0.000 1.219 484 S CA -0.389 57.754 58.200 -0.094 0.000 1.062 484 S CB 1.441 64.595 63.200 -0.076 0.000 0.978 484 S HN 0.693 nan 8.310 nan 0.000 0.489 485 S N 2.507 118.208 115.700 0.002 0.000 2.489 485 S HA -0.078 4.392 4.470 -0.001 0.000 0.228 485 S C 1.590 176.225 174.600 0.059 0.000 0.995 485 S CA 0.482 58.785 58.200 0.171 0.000 0.934 485 S CB -0.577 62.736 63.200 0.189 0.000 0.771 485 S HN 0.687 nan 8.310 nan 0.000 0.522 486 V N 2.508 122.410 119.914 -0.021 0.000 2.252 486 V HA -0.151 3.969 4.120 -0.001 0.000 0.249 486 V C 0.974 177.064 176.094 -0.007 0.000 1.056 486 V CA 2.181 64.472 62.300 -0.015 0.000 1.022 486 V CB -0.470 31.331 31.823 -0.038 0.000 0.641 486 V HN 0.600 nan 8.190 nan 0.000 0.445 487 N N -0.567 118.128 118.700 -0.008 0.000 2.305 487 N HA 0.138 4.878 4.740 -0.001 0.000 0.248 487 N C -0.483 175.027 175.510 -0.001 0.000 1.290 487 N CA 0.314 53.358 53.050 -0.010 0.000 0.873 487 N CB 0.361 38.843 38.487 -0.008 0.000 1.261 487 N HN 0.487 nan 8.380 nan 0.000 0.504 488 D N 1.336 121.755 120.400 0.032 0.000 2.686 488 D HA -0.198 4.441 4.640 -0.001 0.000 0.235 488 D C 0.115 176.442 176.300 0.046 0.000 1.160 488 D CA 1.089 55.134 54.000 0.075 0.000 0.645 488 D CB -0.796 40.033 40.800 0.048 0.000 1.039 488 D HN 0.586 nan 8.370 nan 0.000 0.423 489 K N -0.952 119.462 120.400 0.024 0.000 2.098 489 K HA 0.603 4.922 4.320 -0.001 0.000 0.258 489 K C 0.575 177.175 176.600 0.001 0.000 0.973 489 K CA -0.704 55.590 56.287 0.011 0.000 0.898 489 K CB 1.523 34.016 32.500 -0.012 0.000 1.057 489 K HN -0.041 nan 8.250 nan 0.000 0.447 490 G N 2.525 111.310 108.800 -0.025 0.000 2.380 490 G HA2 0.230 4.189 3.960 -0.001 0.000 0.262 490 G HA3 0.230 4.189 3.960 -0.001 0.000 0.262 490 G C 0.341 175.130 174.900 -0.185 0.000 1.243 490 G CA -0.780 44.209 45.100 -0.185 0.000 0.865 490 G HN 0.657 nan 8.290 nan 0.000 0.513 491 L N 1.760 122.827 121.223 -0.260 0.000 2.189 491 L HA 0.351 4.690 4.340 -0.001 0.000 0.199 491 L C 1.518 178.291 176.870 -0.162 0.000 1.074 491 L CA 0.652 55.394 54.840 -0.163 0.000 0.783 491 L CB -0.173 41.808 42.059 -0.129 0.000 0.955 491 L HN 0.738 nan 8.230 nan 0.000 0.460 492 R N -1.566 118.797 120.500 -0.228 0.000 2.709 492 R HA 0.381 4.720 4.340 -0.001 0.000 0.270 492 R C -1.616 174.546 176.300 -0.230 0.000 1.038 492 R CA -0.866 55.123 56.100 -0.186 0.000 0.872 492 R CB 1.313 31.530 30.300 -0.138 0.000 1.259 492 R HN -0.263 nan 8.270 nan 0.000 0.473 493 V N 3.543 123.353 119.914 -0.172 0.000 2.470 493 V HA 0.095 4.214 4.120 -0.001 0.000 0.276 493 V C 1.459 177.419 176.094 -0.224 0.000 1.040 493 V CA -0.133 62.069 62.300 -0.163 0.000 1.008 493 V CB 0.827 32.592 31.823 -0.096 0.000 0.990 493 V HN 0.645 nan 8.190 nan 0.000 0.477 494 L N 2.705 123.727 121.223 -0.335 0.000 2.168 494 L HA 0.256 4.595 4.340 -0.001 0.000 0.203 494 L C 0.812 177.453 176.870 -0.381 0.000 1.078 494 L CA 0.773 55.237 54.840 -0.626 0.000 0.780 494 L CB 0.123 41.440 42.059 -1.236 0.000 0.939 494 L HN 0.672 nan 8.230 nan 0.000 0.451 495 E N -0.013 120.093 120.200 -0.156 0.000 2.307 495 E HA 0.105 4.455 4.350 -0.001 0.000 0.280 495 E C -1.204 175.454 176.600 0.096 0.000 0.900 495 E CA -0.420 55.985 56.400 0.008 0.000 0.790 495 E CB 1.155 30.858 29.700 0.006 0.000 1.261 495 E HN 0.171 nan 8.360 nan 0.000 0.405 496 D N 3.077 123.509 120.400 0.054 0.000 2.431 496 D HA 0.132 4.772 4.640 -0.001 0.000 0.213 496 D C -0.302 176.021 176.300 0.039 0.000 1.130 496 D CA -0.292 53.733 54.000 0.042 0.000 0.834 496 D CB -0.089 40.714 40.800 0.004 0.000 0.985 496 D HN 0.464 nan 8.370 nan 0.000 0.504 497 N N 0.484 119.222 118.700 0.063 0.000 2.721 497 N HA -0.223 4.517 4.740 -0.001 0.000 0.249 497 N C 0.922 176.449 175.510 0.029 0.000 1.072 497 N CA 0.933 54.016 53.050 0.054 0.000 0.710 497 N CB -1.137 37.384 38.487 0.056 0.000 0.993 497 N HN 0.512 nan 8.380 nan 0.000 0.547 498 S N -1.330 114.385 115.700 0.026 0.000 2.436 498 S HA 0.097 4.567 4.470 -0.001 0.000 0.228 498 S C 2.080 176.698 174.600 0.030 0.000 1.014 498 S CA 0.691 58.901 58.200 0.017 0.000 0.950 498 S CB 0.086 63.293 63.200 0.012 0.000 0.784 498 S HN 0.461 nan 8.310 nan 0.000 0.504 499 A N 2.011 124.858 122.820 0.044 0.000 1.883 499 A HA 0.036 4.356 4.320 -0.001 0.000 0.217 499 A C 2.230 179.861 177.584 0.079 0.000 1.186 499 A CA 1.692 53.764 52.037 0.058 0.000 0.624 499 A CB -0.959 18.078 19.000 0.062 0.000 0.822 499 A HN 0.553 nan 8.150 nan 0.000 0.444 500 L N 0.182 121.457 121.223 0.086 0.000 2.056 500 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 500 L C 1.945 178.851 176.870 0.060 0.000 1.078 500 L CA 2.675 57.583 54.840 0.113 0.000 0.749 500 L CB -0.717 41.415 42.059 0.122 0.000 0.901 500 L HN 0.513 nan 8.230 nan 0.000 0.433 501 D N -0.489 119.920 120.400 0.015 0.000 2.116 501 D HA -0.313 4.326 4.640 -0.001 0.000 0.193 501 D C 2.273 178.577 176.300 0.007 0.000 0.998 501 D CA 1.888 55.878 54.000 -0.017 0.000 0.836 501 D CB -0.099 40.684 40.800 -0.028 0.000 0.951 501 D HN 0.328 nan 8.370 nan 0.000 0.449 502 K N -0.529 119.889 120.400 0.029 0.000 2.044 502 K HA -0.193 4.127 4.320 -0.001 0.000 0.210 502 K C 2.214 178.853 176.600 0.064 0.000 1.049 502 K CA 1.448 57.759 56.287 0.040 0.000 0.927 502 K CB -0.138 32.389 32.500 0.045 0.000 0.713 502 K HN 0.249 nan 8.250 nan 0.000 0.443 503 M N 0.438 120.099 119.600 0.103 0.000 2.229 503 M HA -0.131 4.348 4.480 -0.001 0.000 0.264 503 M C 1.733 178.098 176.300 0.108 0.000 1.063 503 M CA 1.257 56.663 55.300 0.176 0.000 1.114 503 M CB -0.026 32.776 32.600 0.337 0.000 1.387 503 M HN 0.171 nan 8.290 nan 0.000 0.420 504 L N -0.623 120.602 121.223 0.003 0.000 2.591 504 L HA -0.051 4.289 4.340 -0.001 0.000 0.228 504 L C 2.163 179.010 176.870 -0.038 0.000 1.133 504 L CA 0.081 54.866 54.840 -0.092 0.000 0.880 504 L CB -0.441 41.543 42.059 -0.124 0.000 1.033 504 L HN 0.371 nan 8.230 nan 0.000 0.450 505 Q N 1.312 121.114 119.800 0.003 0.000 2.061 505 Q HA -0.198 4.141 4.340 -0.001 0.000 0.204 505 Q C 0.986 176.999 176.000 0.021 0.000 0.984 505 Q CA 1.893 57.704 55.803 0.013 0.000 0.846 505 Q CB 0.013 28.767 28.738 0.027 0.000 0.902 505 Q HN 0.620 nan 8.270 nan 0.000 0.421 506 N N -1.153 117.569 118.700 0.036 0.000 2.321 506 N HA 0.096 4.836 4.740 -0.001 0.000 0.242 506 N C -0.947 174.578 175.510 0.024 0.000 1.141 506 N CA -0.060 53.013 53.050 0.037 0.000 0.864 506 N CB 0.528 39.056 38.487 0.068 0.000 1.100 506 N HN -0.135 nan 8.380 nan 0.000 0.510 507 V N 1.001 120.917 119.914 0.003 0.000 2.394 507 V HA 0.208 4.327 4.120 -0.001 0.000 0.282 507 V C 0.336 176.415 176.094 -0.025 0.000 1.031 507 V CA -0.747 61.550 62.300 -0.004 0.000 0.881 507 V CB 1.431 33.210 31.823 -0.073 0.000 0.982 507 V HN 0.220 nan 8.190 nan 0.000 0.451 508 Q N 4.897 124.693 119.800 -0.008 0.000 2.613 508 Q HA 0.246 4.585 4.340 -0.001 0.000 0.228 508 Q C -0.282 175.687 176.000 -0.052 0.000 1.318 508 Q CA -0.034 55.741 55.803 -0.047 0.000 0.907 508 Q CB 0.176 28.911 28.738 -0.006 0.000 1.593 508 Q HN 0.562 nan 8.270 nan 0.000 0.559 509 M N 3.320 122.875 119.600 -0.075 0.000 2.288 509 M HA 0.364 4.844 4.480 -0.001 0.000 0.334 509 M C -1.940 174.296 176.300 -0.106 0.000 1.150 509 M CA -2.425 52.829 55.300 -0.076 0.000 1.118 509 M CB 0.096 32.660 32.600 -0.060 0.000 1.501 509 M HN 0.285 nan 8.290 nan 0.000 0.462 510 P HA 0.233 nan 4.420 nan 0.000 0.275 510 P C -0.759 176.471 177.300 -0.117 0.000 1.266 510 P CA -0.319 62.697 63.100 -0.140 0.000 0.793 510 P CB 0.515 32.116 31.700 -0.166 0.000 1.074 511 S N -1.341 114.273 115.700 -0.143 0.000 2.677 511 S HA 0.574 5.044 4.470 -0.001 0.000 0.304 511 S C -0.593 173.925 174.600 -0.137 0.000 1.108 511 S CA -0.849 57.283 58.200 -0.113 0.000 0.944 511 S CB 1.845 64.976 63.200 -0.115 0.000 1.127 511 S HN 0.445 nan 8.310 nan 0.000 0.511 512 K N 0.567 120.912 120.400 -0.092 0.000 2.244 512 K HA 0.426 4.745 4.320 -0.001 0.000 0.260 512 K C -1.241 175.307 176.600 -0.087 0.000 0.951 512 K CA -0.588 55.644 56.287 -0.091 0.000 0.826 512 K CB 1.199 33.670 32.500 -0.048 0.000 1.108 512 K HN 0.656 nan 8.250 nan 0.000 0.433 513 K N 5.063 125.398 120.400 -0.108 0.000 2.213 513 K HA 0.312 4.631 4.320 -0.001 0.000 0.270 513 K C -1.473 175.090 176.600 -0.060 0.000 1.002 513 K CA -0.522 55.713 56.287 -0.086 0.000 0.868 513 K CB 0.924 33.352 32.500 -0.119 0.000 1.093 513 K HN 0.507 nan 8.250 nan 0.000 0.454 514 L N 4.275 125.475 121.223 -0.039 0.000 2.349 514 L HA 0.554 4.893 4.340 -0.001 0.000 0.278 514 L C -1.398 175.472 176.870 -0.001 0.000 0.996 514 L CA -0.213 54.634 54.840 0.012 0.000 0.825 514 L CB 1.512 43.643 42.059 0.119 0.000 1.243 514 L HN 0.918 nan 8.230 nan 0.000 0.412 515 D N 2.706 122.960 120.400 -0.243 0.000 2.851 515 D HA 0.425 5.065 4.640 -0.001 0.000 0.339 515 D C -1.558 174.287 176.300 -0.758 0.000 1.347 515 D CA -0.023 53.668 54.000 -0.516 0.000 0.888 515 D CB 2.156 42.626 40.800 -0.550 0.000 1.431 515 D HN 0.221 nan 8.370 nan 0.000 0.509 516 F N -0.075 119.455 119.950 -0.700 0.000 2.620 516 F HA 0.771 5.297 4.527 -0.001 0.000 0.320 516 F C -0.410 175.446 175.800 0.093 0.000 1.069 516 F CA -1.058 56.643 58.000 -0.498 0.000 0.953 516 F CB 0.823 39.141 39.000 -1.136 0.000 1.322 516 F HN 0.239 nan 8.300 nan 0.000 0.479 517 I N -0.444 120.430 120.570 0.506 0.000 2.785 517 I HA 0.610 4.779 4.170 -0.001 0.000 0.302 517 I C -1.140 175.221 176.117 0.408 0.000 1.069 517 I CA -1.210 60.333 61.300 0.405 0.000 1.045 517 I CB 2.504 40.695 38.000 0.318 0.000 1.236 517 I HN 0.640 nan 8.210 nan 0.000 0.429 518 I N 5.157 125.906 120.570 0.297 0.000 2.395 518 I HA 0.321 4.491 4.170 -0.001 0.000 0.282 518 I C -0.529 175.717 176.117 0.215 0.000 1.107 518 I CA -0.174 61.267 61.300 0.235 0.000 1.210 518 I CB 0.341 38.444 38.000 0.173 0.000 1.456 518 I HN 0.345 nan 8.210 nan 0.000 0.504 519 L N 5.039 126.459 121.223 0.328 0.000 2.305 519 L HA 0.278 4.618 4.340 -0.001 0.000 0.281 519 L C 1.000 178.015 176.870 0.242 0.000 1.085 519 L CA -0.374 54.619 54.840 0.255 0.000 0.813 519 L CB 0.379 42.578 42.059 0.233 0.000 1.157 519 L HN 0.574 nan 8.230 nan 0.000 0.436 520 N N 2.744 121.521 118.700 0.128 0.000 2.714 520 N HA -0.214 4.526 4.740 -0.001 0.000 0.252 520 N C -0.159 175.404 175.510 0.088 0.000 1.014 520 N CA 1.069 54.174 53.050 0.092 0.000 0.735 520 N CB -0.681 37.857 38.487 0.084 0.000 0.924 520 N HN 0.816 nan 8.380 nan 0.000 0.540 521 E N -1.961 118.285 120.200 0.076 0.000 2.038 521 E HA -0.254 4.095 4.350 -0.001 0.000 0.181 521 E C -0.627 175.990 176.600 0.029 0.000 1.383 521 E CA 1.254 57.685 56.400 0.053 0.000 0.677 521 E CB -1.695 28.023 29.700 0.030 0.000 1.051 521 E HN 0.417 nan 8.360 nan 0.000 0.317 522 T N 0.603 115.184 114.554 0.045 0.000 2.952 522 T HA 0.289 4.638 4.350 -0.001 0.000 0.305 522 T C -0.267 174.327 174.700 -0.176 0.000 1.064 522 T CA -1.098 60.942 62.100 -0.100 0.000 1.008 522 T CB 1.391 70.173 68.868 -0.143 0.000 1.078 522 T HN 0.142 nan 8.240 nan 0.000 0.459 523 K N 2.149 122.365 120.400 -0.308 0.000 2.379 523 K HA 0.407 4.726 4.320 -0.001 0.000 0.284 523 K C -1.071 175.271 176.600 -0.431 0.000 1.044 523 K CA 0.125 56.219 56.287 -0.321 0.000 0.974 523 K CB 0.355 32.568 32.500 -0.478 0.000 0.962 523 K HN 0.380 nan 8.250 nan 0.000 0.474 524 F N 2.083 122.085 119.950 0.087 0.000 2.539 524 F HA 0.297 4.824 4.527 -0.001 0.000 0.318 524 F C -0.622 175.286 175.800 0.179 0.000 1.135 524 F CA -0.752 57.329 58.000 0.135 0.000 0.915 524 F CB 1.028 40.139 39.000 0.185 0.000 1.176 524 F HN 0.436 nan 8.300 nan 0.000 0.440 525 W N 3.942 125.401 121.300 0.266 0.000 2.381 525 W HA 0.556 5.215 4.660 -0.001 0.000 0.329 525 W C -0.704 176.008 176.519 0.323 0.000 1.157 525 W CA -0.583 56.924 57.345 0.270 0.000 1.240 525 W CB 0.923 30.478 29.460 0.157 0.000 1.199 525 W HN 0.443 nan 8.180 nan 0.000 0.579 526 Y N -0.254 120.381 120.300 0.558 0.000 2.615 526 Y HA 0.667 5.216 4.550 -0.001 0.000 0.341 526 Y C -0.874 175.254 175.900 0.379 0.000 1.089 526 Y CA -1.847 56.577 58.100 0.540 0.000 1.049 526 Y CB 1.089 40.030 38.460 0.802 0.000 1.296 526 Y HN 0.567 nan 8.280 nan 0.000 0.470 527 Q N 2.048 122.076 119.800 0.379 0.000 2.433 527 Q HA 0.768 5.108 4.340 -0.001 0.000 0.279 527 Q C -1.681 174.434 176.000 0.192 0.000 1.105 527 Q CA -1.211 54.702 55.803 0.183 0.000 0.815 527 Q CB 3.310 32.121 28.738 0.120 0.000 1.403 527 Q HN 0.857 nan 8.270 nan 0.000 0.435 528 M N 2.233 121.871 119.600 0.063 0.000 2.263 528 M HA 0.410 4.889 4.480 -0.001 0.000 0.295 528 M C -1.275 174.951 176.300 -0.124 0.000 1.028 528 M CA -0.911 54.360 55.300 -0.048 0.000 0.921 528 M CB 2.118 34.658 32.600 -0.099 0.000 1.601 528 M HN 0.591 nan 8.290 nan 0.000 0.440 529 I N 5.327 125.822 120.570 -0.126 0.000 2.322 529 I HA 0.316 4.485 4.170 -0.001 0.000 0.292 529 I C -0.444 175.527 176.117 -0.243 0.000 1.060 529 I CA -0.153 61.047 61.300 -0.167 0.000 1.309 529 I CB -0.135 37.784 38.000 -0.135 0.000 1.415 529 I HN 0.636 nan 8.210 nan 0.000 0.492 530 L N 8.486 129.515 121.223 -0.324 0.000 2.307 530 L HA 0.449 4.789 4.340 -0.001 0.000 0.284 530 L C -2.195 174.476 176.870 -0.331 0.000 1.023 530 L CA -1.825 52.724 54.840 -0.484 0.000 0.810 530 L CB 1.535 43.113 42.059 -0.801 0.000 1.231 530 L HN 0.264 nan 8.230 nan 0.000 0.423 531 P HA 0.054 nan 4.420 nan 0.000 0.268 531 P C -2.411 174.829 177.300 -0.099 0.000 1.208 531 P CA -0.832 62.178 63.100 -0.150 0.000 0.777 531 P CB -0.251 31.394 31.700 -0.091 0.000 0.875 532 P HA -0.101 nan 4.420 nan 0.000 0.269 532 P C -0.082 177.117 177.300 -0.169 0.000 1.217 532 P CA 0.649 63.596 63.100 -0.256 0.000 0.783 532 P CB -0.057 31.418 31.700 -0.375 0.000 0.898 533 H N -1.930 117.191 119.070 0.084 0.000 2.655 533 H HA -0.216 4.340 4.556 -0.001 0.000 0.313 533 H C 0.019 175.420 175.328 0.122 0.000 1.141 533 H CA 0.188 56.294 56.048 0.097 0.000 1.138 533 H CB -2.501 27.319 29.762 0.096 0.000 1.446 533 H HN 0.403 nan 8.280 nan 0.000 0.415 534 F N 2.484 122.433 119.950 -0.002 0.000 2.571 534 F HA 0.181 4.707 4.527 -0.001 0.000 0.384 534 F C 0.452 176.263 175.800 0.018 0.000 1.058 534 F CA -0.317 57.641 58.000 -0.071 0.000 1.200 534 F CB 0.540 39.391 39.000 -0.248 0.000 1.077 534 F HN 0.128 nan 8.300 nan 0.000 0.558 535 D N 5.642 125.734 120.400 -0.513 0.000 2.414 535 D HA 0.156 4.796 4.640 -0.001 0.000 0.232 535 D C 0.365 176.257 176.300 -0.680 0.000 1.070 535 D CA -0.608 53.136 54.000 -0.427 0.000 0.839 535 D CB 1.332 42.057 40.800 -0.124 0.000 1.079 535 D HN 0.619 nan 8.370 nan 0.000 0.521 536 K N 0.701 120.678 120.400 -0.706 0.000 2.555 536 K HA -0.051 4.269 4.320 -0.001 0.000 0.193 536 K C 1.356 177.925 176.600 -0.051 0.000 1.032 536 K CA 0.680 56.720 56.287 -0.411 0.000 1.004 536 K CB -0.071 32.311 32.500 -0.197 0.000 0.804 536 K HN 0.169 nan 8.250 nan 0.000 0.496 537 S N -0.289 115.355 115.700 -0.092 0.000 2.486 537 S HA 0.091 4.560 4.470 -0.001 0.000 0.220 537 S C 0.614 175.185 174.600 -0.049 0.000 1.011 537 S CA -0.430 57.748 58.200 -0.037 0.000 0.921 537 S CB -0.007 63.165 63.200 -0.047 0.000 0.785 537 S HN 0.153 nan 8.310 nan 0.000 0.517 538 K N 1.251 121.594 120.400 -0.096 0.000 2.102 538 K HA 0.361 4.681 4.320 -0.001 0.000 0.244 538 K C -0.527 175.985 176.600 -0.146 0.000 1.021 538 K CA -0.473 55.697 56.287 -0.196 0.000 0.913 538 K CB 0.378 32.638 32.500 -0.400 0.000 1.062 538 K HN 0.043 nan 8.250 nan 0.000 0.485 539 K N 2.267 122.517 120.400 -0.251 0.000 2.394 539 K HA 0.272 4.591 4.320 -0.001 0.000 0.260 539 K C -0.912 175.534 176.600 -0.257 0.000 0.967 539 K CA -0.409 55.801 56.287 -0.129 0.000 0.855 539 K CB 0.757 33.202 32.500 -0.092 0.000 1.101 539 K HN 0.443 nan 8.250 nan 0.000 0.433 540 Y N 2.394 122.724 120.300 0.050 0.000 2.352 540 Y HA 0.294 4.844 4.550 -0.001 0.000 0.326 540 Y C -1.768 174.064 175.900 -0.113 0.000 1.166 540 Y CA -2.324 55.779 58.100 0.004 0.000 1.182 540 Y CB 0.679 39.204 38.460 0.109 0.000 1.216 540 Y HN 0.420 nan 8.280 nan 0.000 0.474 541 P HA 0.120 nan 4.420 nan 0.000 0.269 541 P C -1.096 176.064 177.300 -0.235 0.000 1.215 541 P CA -0.190 62.617 63.100 -0.488 0.000 0.780 541 P CB 0.841 31.870 31.700 -1.119 0.000 0.898 542 L N 2.496 123.614 121.223 -0.175 0.000 2.385 542 L HA 0.533 4.872 4.340 -0.001 0.000 0.273 542 L C -1.276 175.768 176.870 0.291 0.000 0.990 542 L CA -1.094 53.788 54.840 0.071 0.000 0.821 542 L CB 1.595 43.700 42.059 0.076 0.000 1.279 542 L HN 0.128 nan 8.230 nan 0.000 0.412 543 L N 5.374 126.782 121.223 0.308 0.000 2.287 543 L HA 0.476 4.816 4.340 -0.001 0.000 0.287 543 L C -1.055 176.029 176.870 0.357 0.000 1.022 543 L CA -0.297 54.779 54.840 0.393 0.000 0.814 543 L CB 1.479 43.733 42.059 0.325 0.000 1.217 543 L HN 0.607 nan 8.230 nan 0.000 0.420 544 L N 5.331 126.810 121.223 0.427 0.000 2.295 544 L HA 0.340 4.679 4.340 -0.001 0.000 0.288 544 L C -0.459 176.634 176.870 0.371 0.000 1.079 544 L CA 0.188 55.264 54.840 0.393 0.000 0.830 544 L CB 0.341 42.671 42.059 0.452 0.000 1.200 544 L HN 0.612 nan 8.230 nan 0.000 0.438 545 D N 4.330 124.927 120.400 0.329 0.000 2.316 545 D HA 0.276 4.915 4.640 -0.001 0.000 0.245 545 D C -0.723 175.651 176.300 0.123 0.000 1.171 545 D CA -0.085 54.035 54.000 0.200 0.000 0.856 545 D CB 1.122 42.108 40.800 0.310 0.000 1.090 545 D HN 0.306 nan 8.370 nan 0.000 0.476 546 V N 3.262 123.178 119.914 0.002 0.000 2.628 546 V HA 0.515 4.634 4.120 -0.001 0.000 0.306 546 V C -0.759 175.417 176.094 0.137 0.000 1.045 546 V CA -0.518 61.847 62.300 0.110 0.000 0.905 546 V CB 1.650 33.539 31.823 0.110 0.000 0.997 546 V HN 0.628 nan 8.190 nan 0.000 0.436 547 Y N 4.503 124.867 120.300 0.106 0.000 2.891 547 Y HA 0.579 5.129 4.550 -0.001 0.000 0.228 547 Y C 1.880 177.910 175.900 0.216 0.000 1.000 547 Y CA 1.537 59.726 58.100 0.148 0.000 1.491 547 Y CB 0.338 38.869 38.460 0.118 0.000 1.394 547 Y HN 1.326 nan 8.280 nan 0.000 0.477 548 A N 0.599 123.539 122.820 0.199 0.000 3.021 548 A HA -0.167 4.152 4.320 -0.001 0.000 0.257 548 A C 0.985 178.427 177.584 -0.238 0.000 1.277 548 A CA 0.766 52.860 52.037 0.094 0.000 1.012 548 A CB -2.612 16.500 19.000 0.187 0.000 1.147 548 A HN 0.939 nan 8.150 nan 0.000 0.861 549 G N -0.641 107.766 108.800 -0.655 0.000 2.664 549 G HA2 0.429 4.389 3.960 -0.001 0.000 0.242 549 G HA3 0.429 4.389 3.960 -0.001 0.000 0.242 549 G C -2.180 172.456 174.900 -0.439 0.000 1.225 549 G CA -0.350 44.042 45.100 -1.181 0.000 0.849 549 G HN 0.338 nan 8.290 nan 0.000 0.581 550 P HA 0.148 nan 4.420 nan 0.000 0.266 550 P C 0.464 177.649 177.300 -0.190 0.000 1.215 550 P CA -0.011 62.874 63.100 -0.358 0.000 0.763 550 P CB 0.776 31.947 31.700 -0.881 0.000 0.806 551 C N 2.541 121.784 119.300 -0.096 0.000 4.534 551 C HA -0.143 4.316 4.460 -0.001 0.000 0.275 551 C C 0.982 175.990 174.990 0.030 0.000 1.291 551 C CA 1.113 60.027 59.018 -0.174 0.000 1.876 551 C CB -2.662 24.813 27.740 -0.440 0.000 1.339 551 C HN 0.781 nan 8.230 nan 0.000 0.746 552 S N 0.136 115.924 115.700 0.146 0.000 2.632 552 S HA 0.570 5.040 4.470 -0.001 0.000 0.267 552 S C -0.574 174.200 174.600 0.290 0.000 1.276 552 S CA 0.157 58.527 58.200 0.284 0.000 0.998 552 S CB 1.625 65.062 63.200 0.394 0.000 0.953 552 S HN 0.804 nan 8.310 nan 0.000 0.547 553 Q N 0.076 120.064 119.800 0.312 0.000 2.374 553 Q HA 0.327 4.667 4.340 -0.001 0.000 0.250 553 Q C -0.728 175.392 176.000 0.200 0.000 0.918 553 Q CA -0.588 55.383 55.803 0.280 0.000 0.778 553 Q CB 0.967 29.914 28.738 0.348 0.000 1.328 553 Q HN 0.694 nan 8.270 nan 0.000 0.445 554 K N 0.853 121.373 120.400 0.199 0.000 2.355 554 K HA 0.331 4.651 4.320 -0.001 0.000 0.198 554 K C -0.354 176.347 176.600 0.169 0.000 1.039 554 K CA 0.258 56.651 56.287 0.176 0.000 1.075 554 K CB 1.447 34.079 32.500 0.221 0.000 0.870 554 K HN 0.492 nan 8.250 nan 0.000 0.540 555 A N 2.719 125.648 122.820 0.182 0.000 2.267 555 A HA 0.459 4.779 4.320 -0.001 0.000 0.315 555 A C -0.760 176.888 177.584 0.107 0.000 1.297 555 A CA -0.542 51.602 52.037 0.177 0.000 0.865 555 A CB 0.330 19.497 19.000 0.277 0.000 1.165 555 A HN 0.227 nan 8.150 nan 0.000 0.513 556 D N 0.087 120.522 120.400 0.058 0.000 2.825 556 D HA 0.390 5.029 4.640 -0.001 0.000 0.327 556 D C 0.414 176.716 176.300 0.003 0.000 1.277 556 D CA 0.331 54.349 54.000 0.030 0.000 0.950 556 D CB 0.180 40.984 40.800 0.007 0.000 1.438 556 D HN 0.214 nan 8.370 nan 0.000 0.526 557 T N -2.422 112.147 114.554 0.026 0.000 3.163 557 T HA 0.303 4.652 4.350 -0.001 0.000 0.252 557 T C 0.509 175.165 174.700 -0.074 0.000 1.056 557 T CA -0.328 61.786 62.100 0.025 0.000 0.947 557 T CB -0.579 68.355 68.868 0.110 0.000 1.016 557 T HN 0.269 nan 8.240 nan 0.000 0.554 558 V N 2.801 122.554 119.914 -0.268 0.000 2.572 558 V HA 0.289 4.408 4.120 -0.001 0.000 0.291 558 V C 0.129 176.161 176.094 -0.104 0.000 1.039 558 V CA -0.910 61.205 62.300 -0.308 0.000 1.055 558 V CB -0.170 31.342 31.823 -0.518 0.000 0.969 558 V HN 0.540 nan 8.190 nan 0.000 0.482 559 F N 6.627 126.481 119.950 -0.159 0.000 2.427 559 F HA 0.520 5.046 4.527 -0.001 0.000 0.352 559 F C 0.562 176.303 175.800 -0.099 0.000 1.100 559 F CA -0.142 57.788 58.000 -0.116 0.000 1.191 559 F CB 0.308 39.251 39.000 -0.096 0.000 1.128 559 F HN 0.426 nan 8.300 nan 0.000 0.533 560 R N 6.391 126.357 120.500 -0.889 0.000 2.686 560 R HA 0.542 4.881 4.340 -0.001 0.000 0.283 560 R C -1.550 174.283 176.300 -0.779 0.000 0.978 560 R CA -1.034 54.700 56.100 -0.609 0.000 0.897 560 R CB 2.037 32.149 30.300 -0.315 0.000 1.192 560 R HN 0.668 nan 8.270 nan 0.000 0.457 561 L N 4.394 125.379 121.223 -0.397 0.000 2.313 561 L HA 0.383 4.723 4.340 -0.001 0.000 0.273 561 L C -0.557 176.274 176.870 -0.064 0.000 1.028 561 L CA -0.608 54.060 54.840 -0.287 0.000 0.871 561 L CB 0.345 42.396 42.059 -0.013 0.000 1.242 561 L HN 0.753 nan 8.230 nan 0.000 0.434 562 N N 0.281 118.853 118.700 -0.215 0.000 3.479 562 N HA 0.160 4.899 4.740 -0.001 0.000 0.336 562 N C 0.187 175.360 175.510 -0.562 0.000 1.623 562 N CA -0.853 51.991 53.050 -0.343 0.000 0.759 562 N CB 0.203 38.614 38.487 -0.127 0.000 2.016 562 N HN 0.262 nan 8.380 nan 0.000 0.637 563 W N 0.594 121.383 121.300 -0.851 0.000 2.388 563 W HA 0.254 4.914 4.660 -0.001 0.000 0.294 563 W C 2.079 178.567 176.519 -0.051 0.000 1.212 563 W CA 2.678 59.734 57.345 -0.481 0.000 1.271 563 W CB -0.985 28.355 29.460 -0.201 0.000 1.126 563 W HN 0.701 nan 8.180 nan 0.000 0.535 564 A N -0.211 122.581 122.820 -0.046 0.000 1.908 564 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 564 A C 1.961 179.428 177.584 -0.195 0.000 1.181 564 A CA 2.746 54.692 52.037 -0.152 0.000 0.627 564 A CB -1.374 17.616 19.000 -0.017 0.000 0.818 564 A HN 0.300 nan 8.150 nan 0.000 0.445 565 T N -1.172 113.265 114.554 -0.195 0.000 2.665 565 T HA -0.270 4.080 4.350 -0.001 0.000 0.268 565 T C 1.779 176.454 174.700 -0.040 0.000 1.035 565 T CA 1.889 63.835 62.100 -0.256 0.000 1.151 565 T CB -0.595 67.914 68.868 -0.598 0.000 0.862 565 T HN 0.709 nan 8.240 nan 0.000 0.438 566 Y N 1.867 122.209 120.300 0.069 0.000 2.145 566 Y HA -0.072 4.477 4.550 -0.001 0.000 0.286 566 Y C 2.036 177.925 175.900 -0.018 0.000 1.145 566 Y CA 1.102 59.310 58.100 0.179 0.000 1.148 566 Y CB -0.530 38.055 38.460 0.208 0.000 0.981 566 Y HN 0.107 nan 8.280 nan 0.000 0.507 567 L N 0.389 121.192 121.223 -0.699 0.000 2.083 567 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 567 L C 2.876 179.500 176.870 -0.409 0.000 1.083 567 L CA 1.153 55.522 54.840 -0.785 0.000 0.752 567 L CB -0.968 40.667 42.059 -0.706 0.000 0.899 567 L HN 0.425 nan 8.230 nan 0.000 0.433 568 A N -0.892 121.763 122.820 -0.275 0.000 1.854 568 A HA -0.190 4.130 4.320 -0.001 0.000 0.214 568 A C 2.537 180.047 177.584 -0.124 0.000 1.192 568 A CA 1.797 53.727 52.037 -0.179 0.000 0.611 568 A CB -0.750 18.141 19.000 -0.181 0.000 0.832 568 A HN 0.323 nan 8.150 nan 0.000 0.442 569 S N -1.118 114.526 115.700 -0.093 0.000 2.348 569 S HA -0.139 4.330 4.470 -0.001 0.000 0.221 569 S C 2.005 176.617 174.600 0.020 0.000 1.033 569 S CA 2.408 60.603 58.200 -0.008 0.000 1.010 569 S CB -0.469 62.785 63.200 0.089 0.000 0.891 569 S HN 0.587 nan 8.310 nan 0.000 0.442 570 T N 1.025 115.574 114.554 -0.008 0.000 2.983 570 T HA 0.190 4.539 4.350 -0.001 0.000 0.250 570 T C 1.326 176.002 174.700 -0.040 0.000 1.037 570 T CA 0.554 62.672 62.100 0.031 0.000 1.142 570 T CB -0.079 68.898 68.868 0.182 0.000 0.876 570 T HN 0.304 nan 8.240 nan 0.000 0.455 571 E N 1.222 121.309 120.200 -0.190 0.000 2.474 571 E HA 0.181 4.531 4.350 -0.001 0.000 0.195 571 E C -0.062 176.520 176.600 -0.030 0.000 1.039 571 E CA -0.119 56.206 56.400 -0.125 0.000 0.881 571 E CB -0.313 29.239 29.700 -0.246 0.000 0.970 571 E HN 0.532 nan 8.360 nan 0.000 0.486 572 N N 0.787 119.482 118.700 -0.008 0.000 2.727 572 N HA -0.205 4.535 4.740 -0.001 0.000 0.249 572 N C -0.741 174.846 175.510 0.128 0.000 1.048 572 N CA 0.293 53.401 53.050 0.098 0.000 0.714 572 N CB -1.302 37.307 38.487 0.205 0.000 0.959 572 N HN 0.231 nan 8.380 nan 0.000 0.544 573 I N 0.749 121.322 120.570 0.007 0.000 2.359 573 I HA 0.308 4.478 4.170 -0.001 0.000 0.294 573 I C 0.707 176.798 176.117 -0.043 0.000 0.987 573 I CA -0.841 60.468 61.300 0.015 0.000 1.225 573 I CB 1.133 39.153 38.000 0.033 0.000 1.366 573 I HN 0.032 nan 8.210 nan 0.000 0.466 574 I N 6.413 126.969 120.570 -0.022 0.000 2.471 574 I HA 0.096 4.265 4.170 -0.001 0.000 0.286 574 I C -0.292 175.809 176.117 -0.027 0.000 1.079 574 I CA -0.202 61.050 61.300 -0.080 0.000 1.398 574 I CB 0.680 38.648 38.000 -0.054 0.000 1.403 574 I HN 0.228 nan 8.210 nan 0.000 0.530 575 V N 6.839 126.722 119.914 -0.052 0.000 2.347 575 V HA 0.640 4.760 4.120 -0.001 0.000 0.280 575 V C 0.352 176.460 176.094 0.023 0.000 1.021 575 V CA -0.440 61.874 62.300 0.023 0.000 0.847 575 V CB 1.040 32.872 31.823 0.015 0.000 0.990 575 V HN 0.841 nan 8.190 nan 0.000 0.444 576 A N 4.066 126.922 122.820 0.060 0.000 2.356 576 A HA 0.963 5.282 4.320 -0.001 0.000 0.323 576 A C -0.193 177.509 177.584 0.196 0.000 1.119 576 A CA -0.504 51.547 52.037 0.023 0.000 0.790 576 A CB 1.767 20.591 19.000 -0.293 0.000 1.273 576 A HN 0.703 nan 8.150 nan 0.000 0.452 577 S N -0.337 115.533 115.700 0.284 0.000 2.564 577 S HA 0.792 5.262 4.470 -0.001 0.000 0.274 577 S C -1.525 173.432 174.600 0.595 0.000 1.124 577 S CA -0.333 58.099 58.200 0.388 0.000 0.869 577 S CB 1.454 64.824 63.200 0.285 0.000 1.105 577 S HN 0.868 nan 8.310 nan 0.000 0.472 578 F N 1.713 121.893 119.950 0.384 0.000 2.588 578 F HA 0.387 4.914 4.527 -0.001 0.000 0.318 578 F C -1.756 174.252 175.800 0.347 0.000 1.155 578 F CA -0.621 57.636 58.000 0.428 0.000 0.967 578 F CB 1.386 40.635 39.000 0.415 0.000 1.236 578 F HN 0.421 nan 8.300 nan 0.000 0.455 579 D N 4.961 125.222 120.400 -0.232 0.000 2.428 579 D HA 0.387 5.026 4.640 -0.001 0.000 0.221 579 D C 0.363 176.425 176.300 -0.395 0.000 1.123 579 D CA 0.192 54.116 54.000 -0.127 0.000 0.869 579 D CB 1.534 42.392 40.800 0.096 0.000 1.032 579 D HN 0.746 nan 8.370 nan 0.000 0.506 580 G N 1.321 109.996 108.800 -0.209 0.000 2.736 580 G HA2 0.306 4.265 3.960 -0.001 0.000 0.229 580 G HA3 0.306 4.265 3.960 -0.001 0.000 0.229 580 G C 0.030 175.030 174.900 0.166 0.000 1.380 580 G CA -0.792 44.227 45.100 -0.135 0.000 1.040 580 G HN 0.285 nan 8.290 nan 0.000 0.568 581 R N -0.479 120.094 120.500 0.122 0.000 2.538 581 R HA 0.360 4.699 4.340 -0.001 0.000 0.282 581 R C 1.185 177.609 176.300 0.206 0.000 1.009 581 R CA 1.567 57.809 56.100 0.236 0.000 1.063 581 R CB 0.365 30.776 30.300 0.185 0.000 0.945 581 R HN 1.074 nan 8.270 nan 0.000 0.414 582 G N 1.371 110.278 108.800 0.179 0.000 2.238 582 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.217 582 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.217 582 G C 0.153 175.101 174.900 0.080 0.000 0.996 582 G CA 0.077 45.260 45.100 0.138 0.000 0.632 582 G HN 0.724 nan 8.290 nan 0.000 0.503 583 S N 0.325 116.086 115.700 0.101 0.000 2.600 583 S HA 0.663 5.133 4.470 -0.001 0.000 0.265 583 S C 0.847 175.447 174.600 0.000 0.000 1.325 583 S CA 0.577 58.827 58.200 0.084 0.000 1.002 583 S CB 1.735 65.018 63.200 0.138 0.000 0.921 583 S HN 1.675 nan 8.310 nan 0.000 0.554 584 G N -0.771 107.999 108.800 -0.050 0.000 2.552 584 G HA2 0.515 4.474 3.960 -0.001 0.000 0.318 584 G HA3 0.515 4.474 3.960 -0.001 0.000 0.318 584 G C -0.851 173.935 174.900 -0.190 0.000 1.240 584 G CA -1.054 43.840 45.100 -0.344 0.000 1.002 584 G HN 1.063 nan 8.290 nan 0.000 0.493 585 Y N -2.387 117.909 120.300 -0.007 0.000 4.729 585 Y HA -0.235 4.315 4.550 -0.001 0.000 0.239 585 Y C 1.316 177.217 175.900 0.002 0.000 1.043 585 Y CA 1.032 59.136 58.100 0.005 0.000 2.045 585 Y CB -1.901 36.584 38.460 0.042 0.000 1.599 585 Y HN 0.527 nan 8.280 nan 0.000 0.655 586 Q N 0.104 119.913 119.800 0.015 0.000 2.055 586 Q HA 0.510 4.849 4.340 -0.001 0.000 0.226 586 Q C 0.721 176.584 176.000 -0.228 0.000 0.805 586 Q CA 0.184 56.000 55.803 0.021 0.000 1.072 586 Q CB 1.861 30.616 28.738 0.029 0.000 1.219 586 Q HN 0.555 nan 8.270 nan 0.000 0.451 587 G N 0.678 109.200 108.800 -0.463 0.000 2.629 587 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.686 587 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.686 587 G C -0.609 173.918 174.900 -0.622 0.000 1.232 587 G CA -0.654 43.893 45.100 -0.922 0.000 0.803 587 G HN 0.090 nan 8.290 nan 0.000 0.638 588 D N 0.149 120.160 120.400 -0.649 0.000 2.312 588 D HA -0.053 4.587 4.640 -0.001 0.000 0.211 588 D C 2.405 178.439 176.300 -0.443 0.000 0.964 588 D CA 1.186 54.774 54.000 -0.687 0.000 0.877 588 D CB 0.200 40.611 40.800 -0.648 0.000 0.924 588 D HN 0.548 nan 8.370 nan 0.000 0.515 589 K N 1.203 121.407 120.400 -0.327 0.000 2.155 589 K HA -0.058 4.262 4.320 -0.001 0.000 0.203 589 K C 1.889 178.425 176.600 -0.105 0.000 1.052 589 K CA 0.622 56.807 56.287 -0.170 0.000 0.948 589 K CB -0.410 32.005 32.500 -0.142 0.000 0.728 589 K HN 0.193 nan 8.250 nan 0.000 0.448 590 I N 0.920 121.406 120.570 -0.140 0.000 2.235 590 I HA -0.159 4.011 4.170 -0.001 0.000 0.241 590 I C 2.874 178.979 176.117 -0.019 0.000 1.085 590 I CA 1.074 62.356 61.300 -0.030 0.000 1.378 590 I CB -0.172 37.809 38.000 -0.031 0.000 1.076 590 I HN 0.146 nan 8.210 nan 0.000 0.415 591 M N 0.032 119.539 119.600 -0.156 0.000 2.132 591 M HA -0.213 4.266 4.480 -0.001 0.000 0.263 591 M C 2.061 178.360 176.300 -0.002 0.000 1.065 591 M CA 1.828 57.046 55.300 -0.137 0.000 1.122 591 M CB -0.211 32.183 32.600 -0.343 0.000 1.365 591 M HN 0.244 nan 8.290 nan 0.000 0.411 592 H N -0.140 118.826 119.070 -0.172 0.000 2.547 592 H HA 0.242 4.798 4.556 -0.001 0.000 0.266 592 H C 1.950 177.300 175.328 0.038 0.000 0.988 592 H CA 0.754 56.694 56.048 -0.181 0.000 1.147 592 H CB -0.512 29.054 29.762 -0.325 0.000 1.365 592 H HN 0.495 nan 8.280 nan 0.000 0.589 593 A N 1.373 124.306 122.820 0.189 0.000 1.948 593 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 593 A C 1.934 179.731 177.584 0.354 0.000 1.177 593 A CA 1.906 54.084 52.037 0.235 0.000 0.636 593 A CB -0.656 18.463 19.000 0.199 0.000 0.815 593 A HN 0.386 nan 8.150 nan 0.000 0.449 594 I N -1.775 118.980 120.570 0.309 0.000 3.812 594 I HA 0.135 4.305 4.170 -0.001 0.000 0.320 594 I C 0.468 176.682 176.117 0.163 0.000 1.276 594 I CA -0.792 60.637 61.300 0.215 0.000 1.164 594 I CB -1.189 36.910 38.000 0.165 0.000 1.009 594 I HN 0.278 nan 8.210 nan 0.000 0.431 595 N N 2.930 121.789 118.700 0.266 0.000 2.357 595 N HA -0.078 4.661 4.740 -0.001 0.000 0.257 595 N C 0.294 175.849 175.510 0.075 0.000 1.250 595 N CA 0.255 53.472 53.050 0.279 0.000 0.862 595 N CB 0.277 38.899 38.487 0.226 0.000 1.066 595 N HN 0.355 nan 8.380 nan 0.000 0.468 596 R N 0.428 120.945 120.500 0.028 0.000 3.994 596 R HA -0.206 4.134 4.340 -0.001 0.000 0.403 596 R C -0.150 176.031 176.300 -0.197 0.000 1.126 596 R CA 1.024 57.090 56.100 -0.056 0.000 1.143 596 R CB -1.005 29.279 30.300 -0.026 0.000 1.695 596 R HN 0.649 nan 8.270 nan 0.000 0.555 597 R N 0.707 121.063 120.500 -0.241 0.000 2.583 597 R HA 0.307 4.647 4.340 -0.001 0.000 0.282 597 R C -0.658 175.541 176.300 -0.169 0.000 1.288 597 R CA -0.206 55.578 56.100 -0.526 0.000 1.415 597 R CB 0.519 30.516 30.300 -0.506 0.000 1.331 597 R HN 0.033 nan 8.270 nan 0.000 0.719 598 L N -0.028 121.194 121.223 -0.002 0.000 2.461 598 L HA 0.286 4.625 4.340 -0.001 0.000 0.272 598 L C 1.288 178.411 176.870 0.422 0.000 1.197 598 L CA 1.006 55.910 54.840 0.108 0.000 0.836 598 L CB 0.752 42.636 42.059 -0.292 0.000 1.105 598 L HN 0.710 nan 8.230 nan 0.000 0.477 599 G N 0.868 109.946 108.800 0.464 0.000 2.136 599 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.242 599 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.242 599 G C 0.422 175.412 174.900 0.150 0.000 0.989 599 G CA 0.509 45.828 45.100 0.364 0.000 0.682 599 G HN 0.816 nan 8.290 nan 0.000 0.522 600 T N -3.248 111.355 114.554 0.082 0.000 3.066 600 T HA 0.490 4.839 4.350 -0.001 0.000 0.176 600 T C 1.637 176.333 174.700 -0.006 0.000 0.826 600 T CA 0.908 62.956 62.100 -0.086 0.000 1.280 600 T CB -0.059 68.545 68.868 -0.439 0.000 2.214 600 T HN 0.121 nan 8.240 nan 0.000 0.399 601 F N 3.089 123.088 119.950 0.083 0.000 2.171 601 F HA 0.127 4.653 4.527 -0.001 0.000 0.300 601 F C 2.562 178.405 175.800 0.071 0.000 1.090 601 F CA 1.006 59.043 58.000 0.062 0.000 1.293 601 F CB -0.989 38.046 39.000 0.058 0.000 1.013 601 F HN 0.567 nan 8.300 nan 0.000 0.486 602 E N -0.080 120.284 120.200 0.273 0.000 2.077 602 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 602 E C 2.162 178.875 176.600 0.189 0.000 0.989 602 E CA 1.585 58.120 56.400 0.226 0.000 0.800 602 E CB -0.965 28.877 29.700 0.236 0.000 0.746 602 E HN 0.215 nan 8.360 nan 0.000 0.452 603 V N 1.642 121.643 119.914 0.146 0.000 2.358 603 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 603 V C 2.130 178.265 176.094 0.069 0.000 1.047 603 V CA 2.232 64.571 62.300 0.065 0.000 1.035 603 V CB -0.557 31.258 31.823 -0.013 0.000 0.658 603 V HN 0.242 nan 8.190 nan 0.000 0.452 604 E N -0.185 120.076 120.200 0.102 0.000 2.204 604 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 604 E C 1.823 178.461 176.600 0.063 0.000 0.989 604 E CA 1.239 57.696 56.400 0.094 0.000 0.824 604 E CB -0.118 29.675 29.700 0.154 0.000 0.756 604 E HN 0.575 nan 8.360 nan 0.000 0.477 605 D N 0.145 120.600 120.400 0.091 0.000 2.234 605 D HA -0.091 4.549 4.640 -0.001 0.000 0.205 605 D C 1.903 178.208 176.300 0.008 0.000 0.962 605 D CA 0.600 54.633 54.000 0.055 0.000 0.855 605 D CB 0.049 40.932 40.800 0.138 0.000 0.951 605 D HN 0.103 nan 8.370 nan 0.000 0.500 606 Q N 0.303 120.163 119.800 0.101 0.000 2.079 606 Q HA -0.033 4.306 4.340 -0.001 0.000 0.200 606 Q C 2.556 178.599 176.000 0.072 0.000 0.974 606 Q CA 0.506 56.371 55.803 0.103 0.000 0.840 606 Q CB -0.119 28.706 28.738 0.144 0.000 0.898 606 Q HN 0.406 nan 8.270 nan 0.000 0.430 607 I N 0.880 121.511 120.570 0.102 0.000 2.127 607 I HA -0.296 3.874 4.170 -0.001 0.000 0.241 607 I C 2.472 178.553 176.117 -0.061 0.000 1.075 607 I CA 1.490 62.887 61.300 0.162 0.000 1.334 607 I CB -0.257 37.822 38.000 0.131 0.000 1.040 607 I HN 0.172 nan 8.210 nan 0.000 0.405 608 E N 1.347 121.453 120.200 -0.156 0.000 2.077 608 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 608 E C 2.099 178.385 176.600 -0.524 0.000 0.989 608 E CA 1.558 57.794 56.400 -0.275 0.000 0.800 608 E CB -0.225 29.339 29.700 -0.226 0.000 0.746 608 E HN 0.399 nan 8.360 nan 0.000 0.452 609 A N 1.203 123.552 122.820 -0.786 0.000 1.869 609 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 609 A C 2.537 179.357 177.584 -1.274 0.000 1.203 609 A CA 2.923 54.139 52.037 -1.368 0.000 0.638 609 A CB -1.473 16.626 19.000 -1.502 0.000 0.831 609 A HN 0.448 nan 8.150 nan 0.000 0.450 610 A N -0.541 121.968 122.820 -0.517 0.000 1.892 610 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 610 A C 2.236 179.628 177.584 -0.321 0.000 1.188 610 A CA 1.791 53.692 52.037 -0.226 0.000 0.631 610 A CB -0.572 18.336 19.000 -0.153 0.000 0.822 610 A HN 0.597 nan 8.150 nan 0.000 0.447 611 R N -0.773 119.522 120.500 -0.342 0.000 2.091 611 R HA -0.165 4.174 4.340 -0.001 0.000 0.238 611 R C 2.422 178.542 176.300 -0.299 0.000 1.136 611 R CA 1.582 57.513 56.100 -0.281 0.000 0.959 611 R CB -0.383 29.780 30.300 -0.228 0.000 0.856 611 R HN 0.621 nan 8.270 nan 0.000 0.437 612 Q N -0.208 119.329 119.800 -0.438 0.000 2.119 612 Q HA -0.117 4.223 4.340 -0.001 0.000 0.201 612 Q C 2.071 177.882 176.000 -0.316 0.000 0.972 612 Q CA 1.278 56.838 55.803 -0.405 0.000 0.847 612 Q CB -0.170 28.246 28.738 -0.537 0.000 0.903 612 Q HN 0.303 nan 8.270 nan 0.000 0.433 613 F N 1.403 121.174 119.950 -0.298 0.000 2.171 613 F HA -0.127 4.400 4.527 -0.001 0.000 0.300 613 F C 2.589 178.169 175.800 -0.367 0.000 1.090 613 F CA 0.968 58.768 58.000 -0.333 0.000 1.293 613 F CB -1.047 37.795 39.000 -0.263 0.000 1.013 613 F HN -0.029 nan 8.300 nan 0.000 0.486 614 S N 0.060 115.688 115.700 -0.119 0.000 2.356 614 S HA -0.213 4.256 4.470 -0.001 0.000 0.223 614 S C 1.759 176.245 174.600 -0.190 0.000 1.032 614 S CA 1.280 59.381 58.200 -0.166 0.000 1.005 614 S CB -0.483 62.627 63.200 -0.151 0.000 0.867 614 S HN 0.334 nan 8.310 nan 0.000 0.449 615 K N 0.731 121.031 120.400 -0.167 0.000 2.555 615 K HA 0.222 4.542 4.320 -0.001 0.000 0.193 615 K C 1.707 178.228 176.600 -0.132 0.000 1.032 615 K CA 0.375 56.582 56.287 -0.133 0.000 1.004 615 K CB -0.204 32.228 32.500 -0.113 0.000 0.804 615 K HN 0.396 nan 8.250 nan 0.000 0.496 616 M N -1.218 118.255 119.600 -0.210 0.000 2.419 616 M HA 0.029 4.509 4.480 -0.001 0.000 0.264 616 M C 1.237 177.388 176.300 -0.248 0.000 1.082 616 M CA 1.196 56.364 55.300 -0.221 0.000 1.119 616 M CB 0.324 32.723 32.600 -0.336 0.000 1.398 616 M HN 0.425 nan 8.290 nan 0.000 0.453 617 G N 0.770 109.373 108.800 -0.328 0.000 2.176 617 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.232 617 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.232 617 G C 0.347 175.235 174.900 -0.020 0.000 0.986 617 G CA 0.140 45.168 45.100 -0.121 0.000 0.643 617 G HN 0.594 nan 8.290 nan 0.000 0.522 618 F N -0.187 119.819 119.950 0.094 0.000 2.698 618 F HA 0.756 5.283 4.527 -0.001 0.000 0.304 618 F C 0.083 175.988 175.800 0.175 0.000 1.108 618 F CA -1.106 56.978 58.000 0.141 0.000 1.263 618 F CB 0.352 39.496 39.000 0.240 0.000 1.013 618 F HN 0.052 nan 8.300 nan 0.000 0.532 619 V N 1.419 121.300 119.914 -0.055 0.000 2.417 619 V HA 0.205 4.325 4.120 -0.001 0.000 0.291 619 V C -0.653 175.412 176.094 -0.048 0.000 1.024 619 V CA -0.781 61.508 62.300 -0.018 0.000 0.861 619 V CB 1.559 33.316 31.823 -0.110 0.000 0.985 619 V HN 0.106 nan 8.190 nan 0.000 0.436 620 D N 3.973 124.344 120.400 -0.048 0.000 2.342 620 D HA 0.061 4.700 4.640 -0.001 0.000 0.260 620 D C 1.090 177.333 176.300 -0.094 0.000 1.278 620 D CA 0.154 54.102 54.000 -0.086 0.000 0.910 620 D CB 0.715 41.444 40.800 -0.119 0.000 1.079 620 D HN 0.431 nan 8.370 nan 0.000 0.496 621 N N 3.128 121.776 118.700 -0.087 0.000 2.272 621 N HA -0.146 4.593 4.740 -0.001 0.000 0.185 621 N C 1.077 176.541 175.510 -0.077 0.000 1.014 621 N CA 0.921 53.916 53.050 -0.092 0.000 0.870 621 N CB 0.103 38.538 38.487 -0.087 0.000 0.975 621 N HN 0.515 nan 8.380 nan 0.000 0.433 622 K N -0.103 120.261 120.400 -0.060 0.000 2.418 622 K HA 0.142 4.462 4.320 -0.001 0.000 0.195 622 K C 0.105 176.707 176.600 0.004 0.000 1.035 622 K CA 0.395 56.666 56.287 -0.028 0.000 1.003 622 K CB 0.467 32.952 32.500 -0.024 0.000 0.793 622 K HN 0.064 nan 8.250 nan 0.000 0.494 623 R N 1.262 121.735 120.500 -0.045 0.000 2.629 623 R HA 0.353 4.692 4.340 -0.001 0.000 0.277 623 R C -0.983 175.271 176.300 -0.076 0.000 1.637 623 R CA -0.125 55.935 56.100 -0.066 0.000 1.663 623 R CB 0.604 30.695 30.300 -0.347 0.000 1.228 623 R HN -0.005 nan 8.270 nan 0.000 0.632 624 I N 1.345 122.006 120.570 0.152 0.000 2.410 624 I HA 0.471 4.641 4.170 -0.001 0.000 0.286 624 I C 0.063 176.476 176.117 0.493 0.000 1.009 624 I CA -0.694 60.741 61.300 0.226 0.000 1.111 624 I CB 1.848 39.827 38.000 -0.035 0.000 1.262 624 I HN 0.320 nan 8.210 nan 0.000 0.443 625 A N 7.206 130.420 122.820 0.656 0.000 2.282 625 A HA 0.917 5.236 4.320 -0.001 0.000 0.324 625 A C -0.900 177.024 177.584 0.566 0.000 1.119 625 A CA -0.646 51.724 52.037 0.555 0.000 0.880 625 A CB 1.844 21.030 19.000 0.309 0.000 1.294 625 A HN 0.739 nan 8.150 nan 0.000 0.493 626 I N 0.326 121.146 120.570 0.416 0.000 2.692 626 I HA 0.670 4.839 4.170 -0.001 0.000 0.293 626 I C -1.943 174.416 176.117 0.402 0.000 1.200 626 I CA -0.583 60.892 61.300 0.291 0.000 1.036 626 I CB 1.611 39.495 38.000 -0.194 0.000 1.258 626 I HN 0.932 nan 8.210 nan 0.000 0.421 627 W N 7.190 128.609 121.300 0.198 0.000 3.213 627 W HA 0.844 5.503 4.660 -0.001 0.000 0.318 627 W C -1.398 175.264 176.519 0.239 0.000 1.248 627 W CA -0.899 56.576 57.345 0.217 0.000 1.187 627 W CB 1.042 30.680 29.460 0.297 0.000 1.403 627 W HN 0.824 nan 8.180 nan 0.000 0.556 628 G N 0.772 109.491 108.800 -0.136 0.000 2.608 628 G HA2 0.500 4.460 3.960 -0.001 0.000 0.291 628 G HA3 0.500 4.460 3.960 -0.001 0.000 0.291 628 G C -2.799 172.050 174.900 -0.084 0.000 1.425 628 G CA -0.762 44.100 45.100 -0.397 0.000 0.787 628 G HN 0.590 nan 8.290 nan 0.000 0.484 629 W N 0.902 122.095 121.300 -0.178 0.000 2.656 629 W HA 0.570 5.230 4.660 -0.000 0.000 0.327 629 W C 0.707 177.270 176.519 0.073 0.000 1.041 629 W CA 0.341 57.670 57.345 -0.026 0.000 1.229 629 W CB 1.671 31.118 29.460 -0.021 0.000 1.397 629 W HN 1.218 nan 8.180 nan 0.000 0.479 630 S N 3.334 119.224 115.700 0.317 0.000 4.151 630 S HA -0.415 4.055 4.470 -0.001 0.000 0.622 630 S C 1.194 175.887 174.600 0.154 0.000 1.877 630 S CA 1.710 60.118 58.200 0.347 0.000 4.244 630 S CB -1.894 61.690 63.200 0.640 0.000 0.203 630 S HN 0.713 nan 8.310 nan 0.000 0.468 631 Y N 2.213 122.520 120.300 0.012 0.000 2.207 631 Y HA -0.020 4.530 4.550 -0.001 0.000 0.287 631 Y C 2.425 178.229 175.900 -0.161 0.000 1.156 631 Y CA 2.557 60.551 58.100 -0.177 0.000 1.182 631 Y CB -0.950 37.197 38.460 -0.522 0.000 0.979 631 Y HN 0.552 nan 8.280 nan 0.000 0.521 632 G N -1.007 107.807 108.800 0.022 0.000 2.432 632 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.219 632 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.219 632 G C 1.832 176.763 174.900 0.051 0.000 1.135 632 G CA 0.775 45.916 45.100 0.067 0.000 0.767 632 G HN 0.566 nan 8.290 nan 0.000 0.550 633 G N -0.346 108.495 108.800 0.068 0.000 2.403 633 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.216 633 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.216 633 G C 1.523 176.445 174.900 0.037 0.000 1.154 633 G CA 0.914 46.043 45.100 0.048 0.000 0.784 633 G HN 0.464 nan 8.290 nan 0.000 0.538 634 Y N 1.116 121.320 120.300 -0.160 0.000 2.070 634 Y HA -0.207 4.342 4.550 -0.001 0.000 0.280 634 Y C 2.845 178.648 175.900 -0.162 0.000 1.148 634 Y CA 2.000 59.946 58.100 -0.258 0.000 1.125 634 Y CB -0.249 37.892 38.460 -0.532 0.000 0.975 634 Y HN 0.034 nan 8.280 nan 0.000 0.492 635 V N -0.117 119.672 119.914 -0.207 0.000 2.295 635 V HA -0.337 3.782 4.120 -0.001 0.000 0.246 635 V C 2.285 178.268 176.094 -0.185 0.000 1.049 635 V CA 2.380 64.558 62.300 -0.205 0.000 1.024 635 V CB -1.155 30.689 31.823 0.035 0.000 0.648 635 V HN 0.533 nan 8.190 nan 0.000 0.447 636 T N 0.012 114.508 114.554 -0.096 0.000 2.624 636 T HA -0.236 4.113 4.350 -0.001 0.000 0.268 636 T C 2.110 176.747 174.700 -0.105 0.000 1.041 636 T CA 2.180 64.235 62.100 -0.074 0.000 1.159 636 T CB -0.329 68.577 68.868 0.063 0.000 0.863 636 T HN 0.519 nan 8.240 nan 0.000 0.434 637 S N 0.696 116.364 115.700 -0.054 0.000 2.383 637 S HA 0.031 4.501 4.470 -0.001 0.000 0.227 637 S C 2.105 176.614 174.600 -0.151 0.000 1.026 637 S CA 0.828 59.018 58.200 -0.017 0.000 0.981 637 S CB -0.228 63.012 63.200 0.067 0.000 0.818 637 S HN 0.323 nan 8.310 nan 0.000 0.472 638 M N 0.733 120.152 119.600 -0.302 0.000 2.200 638 M HA 0.021 4.501 4.480 -0.001 0.000 0.265 638 M C 2.191 178.331 176.300 -0.266 0.000 1.066 638 M CA 0.949 56.056 55.300 -0.322 0.000 1.127 638 M CB -1.272 31.027 32.600 -0.502 0.000 1.379 638 M HN 0.169 nan 8.290 nan 0.000 0.420 639 V N 0.833 120.579 119.914 -0.280 0.000 2.295 639 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 639 V C 2.467 178.366 176.094 -0.326 0.000 1.049 639 V CA 1.463 63.593 62.300 -0.282 0.000 1.024 639 V CB -0.586 30.998 31.823 -0.398 0.000 0.648 639 V HN 0.405 nan 8.190 nan 0.000 0.447 640 L N 0.215 121.169 121.223 -0.449 0.000 2.275 640 L HA -0.019 4.321 4.340 -0.001 0.000 0.215 640 L C 2.069 178.389 176.870 -0.916 0.000 1.119 640 L CA 1.299 55.770 54.840 -0.616 0.000 0.790 640 L CB -0.591 41.038 42.059 -0.718 0.000 0.919 640 L HN 0.482 nan 8.230 nan 0.000 0.443 641 G N -1.494 106.824 108.800 -0.803 0.000 3.434 641 G HA2 0.008 3.967 3.960 -0.001 0.000 0.258 641 G HA3 0.008 3.967 3.960 -0.001 0.000 0.258 641 G C 1.361 176.133 174.900 -0.213 0.000 1.128 641 G CA 0.516 45.305 45.100 -0.518 0.000 0.792 641 G HN 0.392 nan 8.290 nan 0.000 0.539 642 S N -0.759 114.824 115.700 -0.195 0.000 2.470 642 S HA 0.294 4.763 4.470 -0.001 0.000 0.225 642 S C 1.932 176.495 174.600 -0.061 0.000 1.006 642 S CA 0.978 59.120 58.200 -0.097 0.000 0.934 642 S CB -0.061 63.098 63.200 -0.068 0.000 0.778 642 S HN 1.360 nan 8.310 nan 0.000 0.517 643 G N 1.448 110.204 108.800 -0.073 0.000 2.147 643 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.244 643 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.244 643 G C 0.915 175.806 174.900 -0.015 0.000 1.005 643 G CA 0.915 45.991 45.100 -0.040 0.000 0.713 643 G HN 1.220 nan 8.290 nan 0.000 0.515 644 S N -0.580 115.121 115.700 0.003 0.000 2.453 644 S HA 0.306 4.776 4.470 -0.001 0.000 0.231 644 S C 2.562 177.163 174.600 0.003 0.000 1.005 644 S CA 1.717 59.928 58.200 0.019 0.000 0.949 644 S CB -0.235 63.006 63.200 0.069 0.000 0.774 644 S HN 2.415 nan 8.310 nan 0.000 0.510 645 G N 0.030 108.837 108.800 0.012 0.000 2.184 645 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.264 645 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.264 645 G C 0.824 175.700 174.900 -0.040 0.000 0.975 645 G CA 0.509 45.605 45.100 -0.007 0.000 0.642 645 G HN 0.704 nan 8.290 nan 0.000 0.536 646 V N -0.425 119.440 119.914 -0.081 0.000 2.488 646 V HA 0.241 4.361 4.120 -0.001 0.000 0.246 646 V C 1.242 177.091 176.094 -0.408 0.000 1.046 646 V CA 1.580 63.689 62.300 -0.318 0.000 1.053 646 V CB -0.353 31.143 31.823 -0.544 0.000 0.679 646 V HN 0.306 nan 8.190 nan 0.000 0.458 647 F N -0.067 119.892 119.950 0.015 0.000 2.420 647 F HA 0.397 4.923 4.527 -0.001 0.000 0.342 647 F C 1.097 176.932 175.800 0.059 0.000 1.113 647 F CA -0.500 57.534 58.000 0.056 0.000 1.059 647 F CB 1.340 40.373 39.000 0.055 0.000 1.128 647 F HN -0.244 nan 8.300 nan 0.000 0.475 648 K N 1.644 122.198 120.400 0.256 0.000 2.137 648 K HA 0.093 4.412 4.320 -0.001 0.000 0.202 648 K C 0.006 176.726 176.600 0.200 0.000 1.052 648 K CA 0.962 57.362 56.287 0.189 0.000 0.961 648 K CB 0.258 32.872 32.500 0.190 0.000 0.741 648 K HN 0.821 nan 8.250 nan 0.000 0.452 649 c N -3.141 115.615 118.600 0.260 0.000 3.320 649 c HA 0.897 5.467 4.570 -0.001 0.000 0.335 649 c C -0.320 173.984 174.090 0.358 0.000 1.430 649 c CA -0.467 56.036 56.329 0.291 0.000 1.271 649 c CB 1.110 43.719 42.510 0.164 0.000 1.609 649 c HN 0.378 nan 8.230 nan 0.000 0.457 650 G N -0.086 109.002 108.800 0.480 0.000 2.519 650 G HA2 0.624 4.584 3.960 -0.001 0.000 0.292 650 G HA3 0.624 4.584 3.960 -0.001 0.000 0.292 650 G C -2.031 173.101 174.900 0.386 0.000 1.507 650 G CA -0.687 44.666 45.100 0.422 0.000 0.806 650 G HN 1.042 nan 8.290 nan 0.000 0.523 651 I N 0.950 121.711 120.570 0.318 0.000 2.389 651 I HA 0.615 4.785 4.170 -0.001 0.000 0.288 651 I C 0.409 176.651 176.117 0.208 0.000 0.999 651 I CA -0.911 60.461 61.300 0.120 0.000 1.129 651 I CB 2.130 40.167 38.000 0.061 0.000 1.288 651 I HN 0.657 nan 8.210 nan 0.000 0.444 652 A N 6.703 129.549 122.820 0.044 0.000 2.271 652 A HA 0.755 5.075 4.320 -0.001 0.000 0.317 652 A C -0.571 176.939 177.584 -0.123 0.000 1.245 652 A CA -0.489 51.577 52.037 0.049 0.000 0.857 652 A CB 0.862 19.956 19.000 0.156 0.000 1.175 652 A HN 0.469 nan 8.150 nan 0.000 0.512 653 V N 2.138 121.933 119.914 -0.198 0.000 2.417 653 V HA 0.573 4.692 4.120 -0.001 0.000 0.291 653 V C 0.964 176.684 176.094 -0.623 0.000 1.024 653 V CA 0.276 62.238 62.300 -0.563 0.000 0.861 653 V CB 0.849 32.023 31.823 -1.080 0.000 0.985 653 V HN 2.048 nan 8.190 nan 0.000 0.436 654 A N 5.389 127.826 122.820 -0.638 0.000 2.511 654 A HA -0.106 4.214 4.320 -0.001 0.000 0.297 654 A C -1.720 175.732 177.584 -0.221 0.000 1.476 654 A CA 0.442 52.010 52.037 -0.782 0.000 0.757 654 A CB -1.638 17.034 19.000 -0.547 0.000 1.072 654 A HN 0.626 nan 8.150 nan 0.000 0.413 655 P HA 0.389 nan 4.420 nan 0.000 0.277 655 P C 0.281 177.582 177.300 0.002 0.000 1.240 655 P CA -0.137 62.969 63.100 0.011 0.000 0.798 655 P CB 1.122 32.841 31.700 0.032 0.000 0.979 656 V N 2.415 122.220 119.914 -0.181 0.000 2.740 656 V HA 0.028 4.147 4.120 -0.001 0.000 0.303 656 V C 1.779 177.701 176.094 -0.287 0.000 1.054 656 V CA 1.121 63.158 62.300 -0.439 0.000 1.106 656 V CB 0.503 31.652 31.823 -1.124 0.000 0.957 656 V HN 0.832 nan 8.190 nan 0.000 0.486 657 S N 3.747 119.284 115.700 -0.271 0.000 2.613 657 S HA 0.246 4.716 4.470 -0.001 0.000 0.235 657 S C 0.476 174.893 174.600 -0.305 0.000 1.073 657 S CA -0.369 57.731 58.200 -0.167 0.000 0.899 657 S CB 0.341 63.501 63.200 -0.067 0.000 0.818 657 S HN 0.841 nan 8.310 nan 0.000 0.484 658 R N -1.239 118.950 120.500 -0.518 0.000 2.626 658 R HA 0.511 4.850 4.340 -0.001 0.000 0.274 658 R C -0.985 174.968 176.300 -0.579 0.000 1.031 658 R CA -0.925 54.811 56.100 -0.606 0.000 0.898 658 R CB 0.069 30.000 30.300 -0.615 0.000 1.222 658 R HN 0.150 nan 8.270 nan 0.000 0.455 659 W N 1.132 122.325 121.300 -0.179 0.000 2.525 659 W HA 0.047 4.707 4.660 -0.000 0.000 0.259 659 W C 1.060 177.716 176.519 0.229 0.000 1.253 659 W CA 0.481 57.812 57.345 -0.023 0.000 1.262 659 W CB 0.306 29.657 29.460 -0.183 0.000 1.122 659 W HN 0.747 nan 8.180 nan 0.000 0.607 660 E N -1.011 119.390 120.200 0.334 0.000 2.347 660 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 660 E C 1.297 178.092 176.600 0.324 0.000 1.008 660 E CA 0.825 57.385 56.400 0.266 0.000 0.852 660 E CB -0.194 29.563 29.700 0.095 0.000 0.783 660 E HN 0.328 nan 8.360 nan 0.000 0.505 661 Y N -1.359 119.037 120.300 0.160 0.000 2.519 661 Y HA 0.052 4.602 4.550 -0.001 0.000 0.287 661 Y C 0.694 176.703 175.900 0.181 0.000 1.128 661 Y CA -0.282 57.883 58.100 0.110 0.000 1.282 661 Y CB -0.485 37.977 38.460 0.004 0.000 1.027 661 Y HN 0.022 nan 8.280 nan 0.000 0.551 662 Y N 1.946 122.403 120.300 0.262 0.000 2.334 662 Y HA 0.273 4.822 4.550 -0.001 0.000 0.325 662 Y C 0.333 176.426 175.900 0.322 0.000 1.308 662 Y CA -2.054 56.202 58.100 0.259 0.000 1.389 662 Y CB 0.345 38.992 38.460 0.311 0.000 1.328 662 Y HN 0.182 nan 8.280 nan 0.000 0.532 663 D N -0.614 119.499 120.400 -0.478 0.000 2.382 663 D HA 0.093 4.732 4.640 -0.001 0.000 0.240 663 D C 0.929 177.187 176.300 -0.070 0.000 1.146 663 D CA 0.348 54.110 54.000 -0.396 0.000 0.897 663 D CB 0.880 41.230 40.800 -0.750 0.000 1.197 663 D HN 0.476 nan 8.370 nan 0.000 0.432 664 S N 1.373 117.048 115.700 -0.040 0.000 2.359 664 S HA -0.277 4.192 4.470 -0.001 0.000 0.224 664 S C 2.059 176.682 174.600 0.040 0.000 1.035 664 S CA 1.147 59.381 58.200 0.057 0.000 1.018 664 S CB -1.065 62.179 63.200 0.072 0.000 0.876 664 S HN 0.656 nan 8.310 nan 0.000 0.448 665 V N 0.098 119.969 119.914 -0.070 0.000 2.453 665 V HA -0.073 4.047 4.120 -0.001 0.000 0.247 665 V C 2.064 178.071 176.094 -0.145 0.000 1.048 665 V CA 1.694 63.866 62.300 -0.213 0.000 1.049 665 V CB -1.022 30.414 31.823 -0.646 0.000 0.672 665 V HN 0.549 nan 8.190 nan 0.000 0.457 666 Y N 1.968 122.213 120.300 -0.090 0.000 2.133 666 Y HA -0.155 4.395 4.550 -0.001 0.000 0.287 666 Y C 2.672 178.615 175.900 0.073 0.000 1.134 666 Y CA 2.773 60.920 58.100 0.078 0.000 1.133 666 Y CB -0.565 38.137 38.460 0.404 0.000 0.987 666 Y HN 0.347 nan 8.280 nan 0.000 0.502 667 T N 0.080 114.854 114.554 0.366 0.000 2.737 667 T HA -0.168 4.182 4.350 -0.001 0.000 0.265 667 T C 1.495 176.202 174.700 0.013 0.000 1.038 667 T CA 1.805 64.058 62.100 0.254 0.000 1.144 667 T CB -0.300 68.847 68.868 0.467 0.000 0.866 667 T HN 0.427 nan 8.240 nan 0.000 0.434 668 E N 0.690 120.912 120.200 0.038 0.000 2.274 668 E HA -0.033 4.316 4.350 -0.001 0.000 0.194 668 E C 2.319 178.826 176.600 -0.155 0.000 0.996 668 E CA 0.259 56.670 56.400 0.019 0.000 0.840 668 E CB -0.094 29.654 29.700 0.081 0.000 0.772 668 E HN 0.332 nan 8.360 nan 0.000 0.491 669 R N 0.257 120.520 120.500 -0.396 0.000 2.091 669 R HA -0.195 4.145 4.340 -0.001 0.000 0.238 669 R C 1.205 177.000 176.300 -0.842 0.000 1.136 669 R CA 1.658 57.324 56.100 -0.724 0.000 0.959 669 R CB -0.017 29.518 30.300 -1.275 0.000 0.856 669 R HN 0.268 nan 8.270 nan 0.000 0.437 670 Y N -2.262 117.717 120.300 -0.534 0.000 2.507 670 Y HA 0.216 4.766 4.550 -0.001 0.000 0.263 670 Y C 1.729 177.434 175.900 -0.325 0.000 1.093 670 Y CA -0.015 57.744 58.100 -0.568 0.000 1.285 670 Y CB 0.496 38.473 38.460 -0.805 0.000 1.115 670 Y HN -0.039 nan 8.280 nan 0.000 0.533 671 M N -0.653 118.857 119.600 -0.150 0.000 2.304 671 M HA 0.373 4.853 4.480 -0.001 0.000 0.281 671 M C 1.070 177.425 176.300 0.092 0.000 1.014 671 M CA 0.767 55.983 55.300 -0.140 0.000 1.054 671 M CB 0.031 32.353 32.600 -0.464 0.000 1.551 671 M HN 0.320 nan 8.290 nan 0.000 0.548 672 G N 1.962 110.821 108.800 0.098 0.000 2.645 672 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.246 672 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.246 672 G C -0.734 174.306 174.900 0.234 0.000 1.322 672 G CA -0.759 44.427 45.100 0.144 0.000 0.898 672 G HN 0.244 nan 8.290 nan 0.000 0.573 673 L N 2.656 123.961 121.223 0.137 0.000 2.326 673 L HA 0.496 4.836 4.340 -0.001 0.000 0.278 673 L C -1.276 175.543 176.870 -0.085 0.000 1.092 673 L CA -1.746 53.113 54.840 0.031 0.000 0.810 673 L CB 1.138 43.200 42.059 0.004 0.000 1.153 673 L HN 0.420 nan 8.230 nan 0.000 0.439 674 P HA 0.116 nan 4.420 nan 0.000 0.220 674 P C -0.795 176.357 177.300 -0.248 0.000 1.806 674 P CA -0.195 62.501 63.100 -0.674 0.000 0.976 674 P CB -0.433 30.581 31.700 -1.144 0.000 1.952 675 T N -2.713 111.778 114.554 -0.104 0.000 2.907 675 T HA 0.461 4.811 4.350 -0.001 0.000 0.292 675 T C -2.200 172.496 174.700 -0.006 0.000 1.043 675 T CA -2.579 59.493 62.100 -0.047 0.000 1.003 675 T CB 1.771 70.620 68.868 -0.031 0.000 1.084 675 T HN -0.287 nan 8.240 nan 0.000 0.483 676 P HA -0.195 nan 4.420 nan 0.000 0.218 676 P C 1.277 178.590 177.300 0.022 0.000 1.152 676 P CA 1.340 64.450 63.100 0.016 0.000 0.857 676 P CB 0.104 31.810 31.700 0.010 0.000 0.787 677 E N -1.829 118.380 120.200 0.015 0.000 2.479 677 E HA -0.004 4.346 4.350 -0.001 0.000 0.193 677 E C 0.898 177.513 176.600 0.024 0.000 1.049 677 E CA 0.472 56.882 56.400 0.017 0.000 0.870 677 E CB -0.292 29.413 29.700 0.009 0.000 0.944 677 E HN 0.247 nan 8.360 nan 0.000 0.492 678 D N 0.956 121.376 120.400 0.033 0.000 3.012 678 D HA 0.053 4.693 4.640 -0.001 0.000 0.230 678 D C 0.264 176.615 176.300 0.085 0.000 1.477 678 D CA 0.029 54.060 54.000 0.052 0.000 1.329 678 D CB 0.036 40.866 40.800 0.050 0.000 0.951 678 D HN 0.025 nan 8.370 nan 0.000 0.224 679 N N -0.112 118.667 118.700 0.132 0.000 2.305 679 N HA 0.110 4.849 4.740 -0.001 0.000 0.248 679 N C 0.995 176.692 175.510 0.310 0.000 1.290 679 N CA -0.086 53.097 53.050 0.221 0.000 0.873 679 N CB 0.340 38.995 38.487 0.279 0.000 1.261 679 N HN 0.089 nan 8.380 nan 0.000 0.504 680 L N 0.633 121.957 121.223 0.169 0.000 2.013 680 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 680 L C 1.230 178.208 176.870 0.181 0.000 1.073 680 L CA 1.991 56.912 54.840 0.135 0.000 0.753 680 L CB -0.342 41.739 42.059 0.037 0.000 0.890 680 L HN 0.127 nan 8.230 nan 0.000 0.432 681 D N -1.505 118.981 120.400 0.144 0.000 2.116 681 D HA -0.276 4.364 4.640 -0.001 0.000 0.193 681 D C 2.087 178.477 176.300 0.149 0.000 0.998 681 D CA 1.942 56.016 54.000 0.123 0.000 0.836 681 D CB -0.187 40.676 40.800 0.105 0.000 0.951 681 D HN 0.607 nan 8.370 nan 0.000 0.449 682 H N -1.340 117.794 119.070 0.107 0.000 2.482 682 H HA 0.013 4.569 4.556 -0.001 0.000 0.286 682 H C 1.663 177.042 175.328 0.085 0.000 1.017 682 H CA 0.870 56.957 56.048 0.065 0.000 1.322 682 H CB -0.151 29.614 29.762 0.006 0.000 1.426 682 H HN 0.128 nan 8.280 nan 0.000 0.546 683 Y N 0.393 120.709 120.300 0.025 0.000 2.114 683 Y HA -0.212 4.337 4.550 -0.001 0.000 0.282 683 Y C 2.305 178.175 175.900 -0.050 0.000 1.165 683 Y CA 1.555 59.666 58.100 0.017 0.000 1.148 683 Y CB 0.112 38.605 38.460 0.055 0.000 0.972 683 Y HN 0.130 nan 8.280 nan 0.000 0.504 684 R N -0.169 120.404 120.500 0.121 0.000 2.236 684 R HA -0.041 4.298 4.340 -0.001 0.000 0.208 684 R C 1.354 177.639 176.300 -0.024 0.000 1.036 684 R CA 0.599 56.721 56.100 0.038 0.000 1.001 684 R CB -0.621 29.705 30.300 0.043 0.000 0.896 684 R HN 0.511 nan 8.270 nan 0.000 0.464 685 N N 0.515 119.169 118.700 -0.077 0.000 2.422 685 N HA -0.043 4.697 4.740 -0.001 0.000 0.181 685 N C 0.327 175.731 175.510 -0.176 0.000 1.080 685 N CA 0.663 53.647 53.050 -0.110 0.000 0.893 685 N CB 0.390 38.831 38.487 -0.078 0.000 0.973 685 N HN 0.118 nan 8.380 nan 0.000 0.456 686 S N -0.338 115.222 115.700 -0.234 0.000 2.664 686 S HA 0.050 4.520 4.470 -0.001 0.000 0.245 686 S C 0.538 175.152 174.600 0.022 0.000 1.019 686 S CA -0.747 57.375 58.200 -0.130 0.000 0.996 686 S CB -0.050 63.025 63.200 -0.208 0.000 0.878 686 S HN 0.134 nan 8.310 nan 0.000 0.493 687 T N -0.859 113.668 114.554 -0.045 0.000 2.899 687 T HA 0.419 4.768 4.350 -0.001 0.000 0.295 687 T C 1.371 176.038 174.700 -0.056 0.000 1.033 687 T CA -0.497 61.563 62.100 -0.066 0.000 1.084 687 T CB 1.142 69.945 68.868 -0.109 0.000 0.979 687 T HN -0.013 nan 8.240 nan 0.000 0.532 688 V N 2.471 122.345 119.914 -0.068 0.000 2.453 688 V HA -0.120 4.000 4.120 -0.001 0.000 0.247 688 V C 2.637 178.671 176.094 -0.100 0.000 1.048 688 V CA 1.583 63.833 62.300 -0.083 0.000 1.049 688 V CB -0.971 30.797 31.823 -0.092 0.000 0.672 688 V HN 0.823 nan 8.190 nan 0.000 0.457 689 M N 1.364 120.895 119.600 -0.116 0.000 2.082 689 M HA -0.199 4.280 4.480 -0.001 0.000 0.258 689 M C 2.398 178.648 176.300 -0.083 0.000 1.069 689 M CA 2.379 57.608 55.300 -0.120 0.000 1.102 689 M CB -1.108 31.438 32.600 -0.090 0.000 1.336 689 M HN 0.541 nan 8.290 nan 0.000 0.404 690 S N -0.293 115.373 115.700 -0.057 0.000 2.469 690 S HA -0.097 4.372 4.470 -0.001 0.000 0.238 690 S C 1.689 176.282 174.600 -0.012 0.000 0.998 690 S CA 0.789 58.969 58.200 -0.033 0.000 0.957 690 S CB -0.507 62.675 63.200 -0.030 0.000 0.764 690 S HN 0.556 nan 8.310 nan 0.000 0.514 691 R N 0.390 120.892 120.500 0.004 0.000 2.466 691 R HA 0.460 4.800 4.340 -0.001 0.000 0.279 691 R C 2.002 178.395 176.300 0.155 0.000 0.976 691 R CA 0.413 56.549 56.100 0.060 0.000 1.081 691 R CB -0.120 30.219 30.300 0.064 0.000 1.215 691 R HN 0.476 nan 8.270 nan 0.000 0.546 692 A N 1.561 124.403 122.820 0.037 0.000 1.908 692 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 692 A C 2.051 179.693 177.584 0.097 0.000 1.181 692 A CA 1.712 53.730 52.037 -0.031 0.000 0.627 692 A CB -0.219 18.687 19.000 -0.156 0.000 0.818 692 A HN 0.259 nan 8.150 nan 0.000 0.445 693 E N 0.843 121.083 120.200 0.067 0.000 2.097 693 E HA -0.220 4.130 4.350 -0.001 0.000 0.196 693 E C 1.650 178.308 176.600 0.097 0.000 1.000 693 E CA 1.821 58.263 56.400 0.069 0.000 0.804 693 E CB -0.318 29.407 29.700 0.041 0.000 0.740 693 E HN 0.572 nan 8.360 nan 0.000 0.454 694 N N -0.513 118.246 118.700 0.098 0.000 2.443 694 N HA -0.132 4.608 4.740 -0.001 0.000 0.184 694 N C 1.026 176.547 175.510 0.019 0.000 1.037 694 N CA 0.618 53.691 53.050 0.040 0.000 0.896 694 N CB -0.281 38.191 38.487 -0.025 0.000 0.959 694 N HN 0.228 nan 8.380 nan 0.000 0.442 695 F N 1.369 121.275 119.950 -0.073 0.000 2.546 695 F HA 0.013 4.540 4.527 -0.001 0.000 0.298 695 F C 1.960 177.763 175.800 0.006 0.000 1.120 695 F CA 0.607 58.560 58.000 -0.078 0.000 1.456 695 F CB -0.012 38.895 39.000 -0.154 0.000 1.088 695 F HN -0.062 nan 8.300 nan 0.000 0.572 696 K N -0.061 120.440 120.400 0.168 0.000 2.281 696 K HA -0.205 4.114 4.320 -0.001 0.000 0.203 696 K C 1.621 178.276 176.600 0.093 0.000 1.046 696 K CA 1.176 57.538 56.287 0.125 0.000 0.938 696 K CB -0.176 32.380 32.500 0.092 0.000 0.737 696 K HN 0.423 nan 8.250 nan 0.000 0.458 697 Q N 0.000 119.835 119.800 0.058 0.000 2.425 697 Q HA 0.025 4.364 4.340 -0.001 0.000 0.204 697 Q C 0.297 176.329 176.000 0.053 0.000 0.933 697 Q CA 0.148 55.975 55.803 0.039 0.000 0.939 697 Q CB 0.653 29.395 28.738 0.007 0.000 1.044 697 Q HN 0.143 nan 8.270 nan 0.000 0.513 698 V N -3.071 116.886 119.914 0.072 0.000 3.102 698 V HA 0.471 4.591 4.120 -0.001 0.000 0.312 698 V C -1.146 175.076 176.094 0.213 0.000 1.135 698 V CA -1.320 61.047 62.300 0.112 0.000 1.022 698 V CB 2.268 34.118 31.823 0.045 0.000 1.056 698 V HN -0.053 nan 8.190 nan 0.000 0.436 699 E N 1.446 121.800 120.200 0.256 0.000 2.200 699 E HA 0.460 4.809 4.350 -0.001 0.000 0.283 699 E C -1.806 175.175 176.600 0.635 0.000 1.015 699 E CA -0.292 56.341 56.400 0.389 0.000 0.819 699 E CB 1.531 31.372 29.700 0.235 0.000 1.081 699 E HN 0.676 nan 8.360 nan 0.000 0.397 700 Y N 3.437 124.019 120.300 0.470 0.000 2.361 700 Y HA 0.399 4.948 4.550 -0.001 0.000 0.337 700 Y C -1.706 174.267 175.900 0.122 0.000 0.965 700 Y CA -1.461 56.842 58.100 0.338 0.000 1.091 700 Y CB 1.014 39.711 38.460 0.395 0.000 1.182 700 Y HN 0.406 nan 8.280 nan 0.000 0.450 701 L N 7.838 128.718 121.223 -0.571 0.000 2.298 701 L HA 0.582 4.921 4.340 -0.001 0.000 0.284 701 L C -2.003 174.402 176.870 -0.774 0.000 1.013 701 L CA -0.796 53.577 54.840 -0.779 0.000 0.824 701 L CB 1.149 42.473 42.059 -1.225 0.000 1.221 701 L HN 0.629 nan 8.230 nan 0.000 0.418 702 L N 6.964 127.826 121.223 -0.602 0.000 2.287 702 L HA 0.665 5.004 4.340 -0.001 0.000 0.287 702 L C -1.082 175.667 176.870 -0.202 0.000 1.022 702 L CA -0.001 54.561 54.840 -0.463 0.000 0.814 702 L CB 0.965 42.791 42.059 -0.387 0.000 1.217 702 L HN 0.566 nan 8.230 nan 0.000 0.420 703 I N 4.691 125.157 120.570 -0.173 0.000 2.545 703 I HA 0.467 4.636 4.170 -0.001 0.000 0.292 703 I C -1.101 175.009 176.117 -0.012 0.000 1.040 703 I CA -0.682 60.569 61.300 -0.082 0.000 1.068 703 I CB 1.944 39.859 38.000 -0.142 0.000 1.251 703 I HN 0.672 nan 8.210 nan 0.000 0.424 704 H N 2.302 121.434 119.070 0.103 0.000 3.086 704 H HA 0.476 5.032 4.556 -0.001 0.000 0.353 704 H C -0.314 175.265 175.328 0.418 0.000 1.134 704 H CA -0.524 55.645 56.048 0.202 0.000 1.248 704 H CB 1.994 31.830 29.762 0.122 0.000 1.878 704 H HN 0.742 nan 8.280 nan 0.000 0.527 705 G N 0.942 110.055 108.800 0.521 0.000 2.390 705 G HA2 0.214 4.174 3.960 -0.001 0.000 0.270 705 G HA3 0.214 4.174 3.960 -0.001 0.000 0.270 705 G C 1.148 176.306 174.900 0.429 0.000 1.211 705 G CA 0.137 45.509 45.100 0.453 0.000 0.842 705 G HN 0.757 nan 8.290 nan 0.000 0.519 706 T N -0.611 114.043 114.554 0.167 0.000 2.962 706 T HA 0.054 4.404 4.350 -0.001 0.000 0.270 706 T C 1.691 176.358 174.700 -0.056 0.000 1.088 706 T CA 1.316 63.322 62.100 -0.157 0.000 1.127 706 T CB 0.136 68.850 68.868 -0.256 0.000 0.883 706 T HN 0.699 nan 8.240 nan 0.000 0.493 707 A N 1.031 123.894 122.820 0.072 0.000 2.708 707 A HA 0.331 4.651 4.320 -0.001 0.000 0.293 707 A C 0.326 177.892 177.584 -0.031 0.000 1.303 707 A CA -0.518 51.549 52.037 0.051 0.000 0.949 707 A CB -0.284 18.990 19.000 0.458 0.000 1.121 707 A HN 0.382 nan 8.150 nan 0.000 0.542 708 D N 1.201 121.592 120.400 -0.015 0.000 2.338 708 D HA 0.123 4.763 4.640 -0.001 0.000 0.255 708 D C 0.395 176.675 176.300 -0.034 0.000 1.237 708 D CA 0.141 54.230 54.000 0.147 0.000 0.883 708 D CB 0.900 41.932 40.800 0.387 0.000 1.087 708 D HN 0.564 nan 8.370 nan 0.000 0.485 709 D N 1.856 122.297 120.400 0.068 0.000 2.350 709 D HA -0.061 4.578 4.640 -0.001 0.000 0.213 709 D C 0.973 177.242 176.300 -0.052 0.000 1.031 709 D CA -0.039 53.940 54.000 -0.035 0.000 0.861 709 D CB 0.359 41.133 40.800 -0.043 0.000 0.926 709 D HN 0.127 nan 8.370 nan 0.000 0.520 710 N N 0.481 119.247 118.700 0.111 0.000 2.652 710 N HA -0.043 4.696 4.740 -0.001 0.000 0.226 710 N C -0.118 175.369 175.510 -0.040 0.000 1.023 710 N CA 0.709 53.884 53.050 0.208 0.000 1.126 710 N CB 0.354 38.964 38.487 0.206 0.000 1.476 710 N HN 0.083 nan 8.380 nan 0.000 0.537 711 V N 2.990 122.851 119.914 -0.089 0.000 2.318 711 V HA 0.400 4.519 4.120 -0.001 0.000 0.271 711 V C -0.862 175.295 176.094 0.105 0.000 1.030 711 V CA -0.644 61.632 62.300 -0.040 0.000 0.844 711 V CB -0.458 31.348 31.823 -0.030 0.000 1.015 711 V HN 0.311 nan 8.190 nan 0.000 0.460 712 H N 4.787 123.845 119.070 -0.021 0.000 2.815 712 H HA 0.122 4.678 4.556 -0.001 0.000 0.350 712 H C 0.556 175.748 175.328 -0.226 0.000 1.080 712 H CA 0.539 56.495 56.048 -0.152 0.000 1.433 712 H CB 0.804 30.386 29.762 -0.300 0.000 1.432 712 H HN 0.773 nan 8.280 nan 0.000 0.592 713 F N 2.088 121.871 119.950 -0.278 0.000 2.141 713 F HA -0.349 4.177 4.527 -0.001 0.000 0.300 713 F C 2.622 178.145 175.800 -0.461 0.000 1.079 713 F CA 1.974 59.631 58.000 -0.573 0.000 1.264 713 F CB -0.217 38.631 39.000 -0.253 0.000 1.011 713 F HN 0.680 nan 8.300 nan 0.000 0.487 714 Q N 0.057 119.725 119.800 -0.219 0.000 2.224 714 Q HA -0.343 3.996 4.340 -0.001 0.000 0.213 714 Q C 2.075 177.837 176.000 -0.396 0.000 0.998 714 Q CA 2.456 58.078 55.803 -0.302 0.000 0.895 714 Q CB -0.364 28.178 28.738 -0.326 0.000 0.926 714 Q HN 0.628 nan 8.270 nan 0.000 0.417 715 Q N -0.677 118.914 119.800 -0.348 0.000 2.079 715 Q HA -0.095 4.245 4.340 -0.001 0.000 0.200 715 Q C 2.267 178.135 176.000 -0.219 0.000 0.974 715 Q CA 1.390 57.110 55.803 -0.139 0.000 0.840 715 Q CB -0.082 28.643 28.738 -0.021 0.000 0.898 715 Q HN 0.289 nan 8.270 nan 0.000 0.430 716 S N 0.427 115.838 115.700 -0.483 0.000 2.355 716 S HA -0.083 4.387 4.470 -0.001 0.000 0.222 716 S C 2.033 176.350 174.600 -0.472 0.000 1.031 716 S CA 0.933 58.854 58.200 -0.464 0.000 0.993 716 S CB -0.149 62.608 63.200 -0.739 0.000 0.859 716 S HN 0.467 nan 8.310 nan 0.000 0.453 717 A N 0.947 123.381 122.820 -0.642 0.000 1.986 717 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 717 A C 2.122 179.590 177.584 -0.193 0.000 1.171 717 A CA 1.402 53.215 52.037 -0.373 0.000 0.640 717 A CB -0.460 18.372 19.000 -0.280 0.000 0.811 717 A HN 0.485 nan 8.150 nan 0.000 0.451 718 Q N -0.702 118.995 119.800 -0.172 0.000 2.163 718 Q HA 0.053 4.393 4.340 -0.001 0.000 0.198 718 Q C 2.133 178.069 176.000 -0.108 0.000 0.954 718 Q CA 0.907 56.665 55.803 -0.075 0.000 0.851 718 Q CB -0.282 28.493 28.738 0.063 0.000 0.928 718 Q HN 0.778 nan 8.270 nan 0.000 0.459 719 I N 1.260 121.736 120.570 -0.157 0.000 2.127 719 I HA -0.316 3.854 4.170 -0.001 0.000 0.241 719 I C 2.566 178.497 176.117 -0.310 0.000 1.075 719 I CA 1.626 62.782 61.300 -0.241 0.000 1.334 719 I CB -0.500 37.365 38.000 -0.225 0.000 1.040 719 I HN 0.177 nan 8.210 nan 0.000 0.405 720 S N 0.840 116.387 115.700 -0.256 0.000 2.370 720 S HA -0.297 4.173 4.470 -0.001 0.000 0.226 720 S C 2.048 176.619 174.600 -0.049 0.000 1.033 720 S CA 1.601 59.694 58.200 -0.179 0.000 1.011 720 S CB -0.503 62.749 63.200 0.088 0.000 0.852 720 S HN 0.389 nan 8.310 nan 0.000 0.457 721 K N 1.497 121.868 120.400 -0.049 0.000 2.147 721 K HA 0.079 4.399 4.320 -0.001 0.000 0.205 721 K C 2.196 178.771 176.600 -0.041 0.000 1.049 721 K CA 1.015 57.291 56.287 -0.017 0.000 0.936 721 K CB -0.560 31.927 32.500 -0.022 0.000 0.722 721 K HN 0.487 nan 8.250 nan 0.000 0.446 722 A N 0.782 123.541 122.820 -0.102 0.000 1.897 722 A HA -0.038 4.282 4.320 -0.001 0.000 0.215 722 A C 2.002 179.505 177.584 -0.134 0.000 1.181 722 A CA 0.964 52.931 52.037 -0.118 0.000 0.620 722 A CB -0.444 18.460 19.000 -0.161 0.000 0.821 722 A HN 0.276 nan 8.150 nan 0.000 0.443 723 L N -0.513 120.578 121.223 -0.220 0.000 2.093 723 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 723 L C 2.442 179.341 176.870 0.049 0.000 1.085 723 L CA 0.736 55.468 54.840 -0.180 0.000 0.755 723 L CB -0.574 41.197 42.059 -0.480 0.000 0.904 723 L HN 0.212 nan 8.230 nan 0.000 0.435 724 V N -0.157 119.824 119.914 0.111 0.000 2.343 724 V HA -0.276 3.843 4.120 -0.001 0.000 0.247 724 V C 2.026 178.160 176.094 0.067 0.000 1.051 724 V CA 1.881 64.264 62.300 0.138 0.000 1.036 724 V CB -0.491 31.412 31.823 0.133 0.000 0.654 724 V HN 0.413 nan 8.190 nan 0.000 0.451 725 D N 0.290 120.708 120.400 0.030 0.000 2.218 725 D HA -0.103 4.536 4.640 -0.001 0.000 0.204 725 D C 1.823 178.134 176.300 0.018 0.000 0.976 725 D CA 1.622 55.632 54.000 0.017 0.000 0.853 725 D CB -0.093 40.707 40.800 0.000 0.000 0.939 725 D HN 0.553 nan 8.370 nan 0.000 0.481 726 V N -3.604 116.320 119.914 0.017 0.000 3.647 726 V HA 0.468 4.587 4.120 -0.001 0.000 0.279 726 V C 1.229 177.351 176.094 0.047 0.000 1.314 726 V CA 0.317 62.633 62.300 0.026 0.000 1.125 726 V CB -0.182 31.651 31.823 0.017 0.000 0.907 726 V HN 0.143 nan 8.190 nan 0.000 0.434 727 G N 0.844 109.681 108.800 0.062 0.000 2.256 727 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.272 727 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.272 727 G C -0.033 174.930 174.900 0.105 0.000 1.076 727 G CA 0.467 45.613 45.100 0.077 0.000 0.882 727 G HN 1.848 nan 8.290 nan 0.000 0.497 728 V N -1.428 118.573 119.914 0.146 0.000 2.435 728 V HA 0.752 4.872 4.120 -0.001 0.000 0.290 728 V C 0.134 176.417 176.094 0.315 0.000 1.030 728 V CA -0.816 61.605 62.300 0.202 0.000 0.881 728 V CB 1.903 33.845 31.823 0.199 0.000 0.983 728 V HN 0.277 nan 8.190 nan 0.000 0.445 729 D N 5.075 125.622 120.400 0.245 0.000 2.350 729 D HA 0.537 5.177 4.640 -0.001 0.000 0.249 729 D C -0.435 176.087 176.300 0.371 0.000 1.119 729 D CA 0.362 54.484 54.000 0.203 0.000 0.886 729 D CB 0.647 41.510 40.800 0.105 0.000 1.195 729 D HN 0.658 nan 8.370 nan 0.000 0.437 730 F N 0.054 120.084 119.950 0.133 0.000 2.715 730 F HA 0.523 5.050 4.527 -0.000 0.000 0.318 730 F C -1.133 174.723 175.800 0.094 0.000 1.141 730 F CA -1.217 56.885 58.000 0.170 0.000 0.950 730 F CB 0.903 40.036 39.000 0.222 0.000 1.374 730 F HN 0.007 nan 8.300 nan 0.000 0.477 731 Q N 1.411 121.303 119.800 0.155 0.000 2.245 731 Q HA 0.779 5.118 4.340 -0.001 0.000 0.256 731 Q C -0.751 175.248 176.000 -0.001 0.000 0.942 731 Q CA -0.736 55.061 55.803 -0.009 0.000 0.896 731 Q CB 1.974 30.730 28.738 0.031 0.000 1.272 731 Q HN 0.991 nan 8.270 nan 0.000 0.442 732 A N 1.939 124.726 122.820 -0.055 0.000 2.479 732 A HA 0.881 5.201 4.320 -0.001 0.000 0.296 732 A C -1.179 176.335 177.584 -0.116 0.000 1.121 732 A CA -0.606 51.425 52.037 -0.010 0.000 0.743 732 A CB 1.853 20.913 19.000 0.101 0.000 1.323 732 A HN 0.607 nan 8.150 nan 0.000 0.415 733 M N 1.378 120.888 119.600 -0.150 0.000 2.310 733 M HA 0.453 4.932 4.480 -0.001 0.000 0.242 733 M C -1.758 174.384 176.300 -0.264 0.000 1.000 733 M CA -0.706 54.343 55.300 -0.418 0.000 0.970 733 M CB 0.756 33.019 32.600 -0.561 0.000 2.191 733 M HN 0.903 nan 8.290 nan 0.000 0.470 734 W N 4.328 125.504 121.300 -0.208 0.000 2.237 734 W HA 0.705 5.364 4.660 -0.002 0.000 0.335 734 W C -1.740 174.543 176.519 -0.394 0.000 1.230 734 W CA -0.494 56.803 57.345 -0.080 0.000 1.253 734 W CB 0.166 29.603 29.460 -0.039 0.000 1.129 734 W HN 0.622 nan 8.180 nan 0.000 0.590 735 Y N 2.394 122.799 120.300 0.175 0.000 2.464 735 Y HA 0.264 4.814 4.550 -0.000 0.000 0.326 735 Y C 0.462 176.460 175.900 0.163 0.000 0.969 735 Y CA -1.167 56.962 58.100 0.047 0.000 1.270 735 Y CB 1.038 39.504 38.460 0.010 0.000 1.103 735 Y HN 0.422 nan 8.280 nan 0.000 0.491 736 T N 4.705 119.431 114.554 0.286 0.000 2.778 736 T HA -0.027 4.322 4.350 -0.001 0.000 0.282 736 T C 0.127 174.891 174.700 0.106 0.000 0.983 736 T CA 0.852 63.057 62.100 0.175 0.000 1.193 736 T CB -0.231 68.683 68.868 0.076 0.000 0.938 736 T HN 0.708 nan 8.240 nan 0.000 0.523 737 D N 0.738 121.180 120.400 0.069 0.000 3.006 737 D HA -0.115 4.525 4.640 -0.001 0.000 0.205 737 D C 0.250 176.655 176.300 0.175 0.000 1.075 737 D CA 1.015 54.985 54.000 -0.050 0.000 1.000 737 D CB -0.419 40.167 40.800 -0.357 0.000 1.097 737 D HN 0.549 nan 8.370 nan 0.000 0.426 738 E N 0.959 121.288 120.200 0.215 0.000 2.319 738 E HA 0.353 4.702 4.350 -0.001 0.000 0.268 738 E C 0.754 177.526 176.600 0.287 0.000 1.050 738 E CA -0.222 56.327 56.400 0.249 0.000 0.878 738 E CB 1.159 30.996 29.700 0.227 0.000 1.066 738 E HN 0.348 nan 8.360 nan 0.000 0.406 739 D N -0.528 120.055 120.400 0.306 0.000 2.541 739 D HA 0.009 4.648 4.640 -0.001 0.000 0.276 739 D C 1.057 177.582 176.300 0.375 0.000 1.190 739 D CA -0.246 53.960 54.000 0.343 0.000 1.095 739 D CB -0.237 40.791 40.800 0.379 0.000 1.173 739 D HN 0.398 nan 8.370 nan 0.000 0.604 740 H N -1.494 117.753 119.070 0.296 0.000 2.456 740 H HA 0.098 4.654 4.556 -0.001 0.000 0.296 740 H C 1.838 177.421 175.328 0.425 0.000 1.079 740 H CA 2.086 58.331 56.048 0.330 0.000 1.322 740 H CB -0.363 29.580 29.762 0.301 0.000 1.388 740 H HN 0.493 nan 8.280 nan 0.000 0.538 741 G N -0.386 108.590 108.800 0.293 0.000 2.777 741 G HA2 0.039 3.998 3.960 -0.001 0.000 0.211 741 G HA3 0.039 3.998 3.960 -0.001 0.000 0.211 741 G C 0.570 175.651 174.900 0.303 0.000 1.149 741 G CA 0.224 45.422 45.100 0.163 0.000 0.785 741 G HN 0.498 nan 8.290 nan 0.000 0.536 742 I N 0.177 120.949 120.570 0.337 0.000 5.071 742 I HA -0.332 3.837 4.170 -0.001 0.000 0.126 742 I C 1.473 177.719 176.117 0.214 0.000 1.290 742 I CA 0.206 61.649 61.300 0.239 0.000 2.644 742 I CB -1.166 36.939 38.000 0.175 0.000 2.208 742 I HN 0.264 nan 8.210 nan 0.000 0.322 743 A N 1.526 124.448 122.820 0.170 0.000 2.382 743 A HA 0.261 4.580 4.320 -0.001 0.000 0.228 743 A C 1.142 178.777 177.584 0.084 0.000 1.217 743 A CA 0.571 52.680 52.037 0.119 0.000 0.923 743 A CB 0.250 19.294 19.000 0.073 0.000 0.979 743 A HN 0.640 nan 8.150 nan 0.000 0.515 744 S N -0.148 115.613 115.700 0.102 0.000 2.568 744 S HA 0.164 4.634 4.470 -0.001 0.000 0.282 744 S C 1.167 175.815 174.600 0.080 0.000 1.338 744 S CA 0.388 58.639 58.200 0.085 0.000 1.045 744 S CB 1.110 64.368 63.200 0.096 0.000 0.873 744 S HN 0.420 nan 8.310 nan 0.000 0.516 745 S N 2.262 117.994 115.700 0.054 0.000 2.368 745 S HA -0.209 4.261 4.470 -0.001 0.000 0.226 745 S C 2.155 176.805 174.600 0.083 0.000 1.044 745 S CA 2.419 60.648 58.200 0.049 0.000 1.062 745 S CB -1.520 61.694 63.200 0.024 0.000 0.931 745 S HN 1.074 nan 8.310 nan 0.000 0.440 746 T N -0.527 114.069 114.554 0.070 0.000 2.904 746 T HA 0.202 4.552 4.350 -0.001 0.000 0.267 746 T C 1.880 176.631 174.700 0.085 0.000 1.059 746 T CA 1.263 63.408 62.100 0.074 0.000 1.137 746 T CB -0.690 68.214 68.868 0.060 0.000 0.879 746 T HN 0.443 nan 8.240 nan 0.000 0.467 747 A N 1.367 124.221 122.820 0.056 0.000 1.897 747 A HA -0.017 4.302 4.320 -0.001 0.000 0.215 747 A C 2.181 179.719 177.584 -0.078 0.000 1.181 747 A CA 1.781 53.788 52.037 -0.049 0.000 0.620 747 A CB -1.210 17.738 19.000 -0.086 0.000 0.821 747 A HN 0.751 nan 8.150 nan 0.000 0.443 748 H N -0.140 118.911 119.070 -0.032 0.000 2.352 748 H HA -0.141 4.415 4.556 -0.001 0.000 0.299 748 H C 2.089 177.473 175.328 0.094 0.000 1.097 748 H CA 2.301 58.382 56.048 0.056 0.000 1.311 748 H CB -0.165 29.630 29.762 0.055 0.000 1.377 748 H HN 0.560 nan 8.280 nan 0.000 0.504 749 Q N -1.005 118.809 119.800 0.023 0.000 2.124 749 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 749 Q C 2.127 178.119 176.000 -0.014 0.000 0.977 749 Q CA 1.324 57.108 55.803 -0.031 0.000 0.850 749 Q CB -0.140 28.613 28.738 0.025 0.000 0.901 749 Q HN 0.658 nan 8.270 nan 0.000 0.429 750 H N 0.576 119.616 119.070 -0.049 0.000 2.363 750 H HA -0.022 4.534 4.556 -0.001 0.000 0.301 750 H C 2.022 177.351 175.328 0.000 0.000 1.074 750 H CA 1.074 57.129 56.048 0.011 0.000 1.354 750 H CB 0.056 29.876 29.762 0.097 0.000 1.397 750 H HN 0.257 nan 8.280 nan 0.000 0.516 751 I N 0.138 120.684 120.570 -0.040 0.000 2.252 751 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 751 I C 1.825 177.703 176.117 -0.398 0.000 1.102 751 I CA 1.192 62.377 61.300 -0.191 0.000 1.385 751 I CB -0.261 37.446 38.000 -0.490 0.000 1.064 751 I HN 0.158 nan 8.210 nan 0.000 0.414 752 Y N 0.947 121.026 120.300 -0.368 0.000 2.200 752 Y HA -0.250 4.300 4.550 -0.001 0.000 0.290 752 Y C 2.739 178.437 175.900 -0.337 0.000 1.137 752 Y CA 2.093 59.879 58.100 -0.523 0.000 1.163 752 Y CB -0.860 37.306 38.460 -0.490 0.000 0.988 752 Y HN 0.137 nan 8.280 nan 0.000 0.518 753 T N -1.342 113.139 114.554 -0.121 0.000 2.635 753 T HA -0.318 4.032 4.350 -0.001 0.000 0.267 753 T C 1.555 176.113 174.700 -0.236 0.000 1.040 753 T CA 2.144 64.126 62.100 -0.197 0.000 1.156 753 T CB -0.591 68.168 68.868 -0.182 0.000 0.863 753 T HN 0.441 nan 8.240 nan 0.000 0.430 754 H N 0.590 119.526 119.070 -0.223 0.000 2.321 754 H HA 0.094 4.649 4.556 -0.001 0.000 0.300 754 H C 2.228 177.528 175.328 -0.047 0.000 1.087 754 H CA 1.597 57.589 56.048 -0.093 0.000 1.319 754 H CB -0.255 29.449 29.762 -0.096 0.000 1.379 754 H HN 0.280 nan 8.280 nan 0.000 0.501 755 M N -0.799 118.719 119.600 -0.137 0.000 2.159 755 M HA -0.166 4.313 4.480 -0.001 0.000 0.263 755 M C 2.418 178.820 176.300 0.170 0.000 1.063 755 M CA 1.500 56.715 55.300 -0.141 0.000 1.110 755 M CB -0.014 32.217 32.600 -0.615 0.000 1.374 755 M HN 0.205 nan 8.290 nan 0.000 0.411 756 S N -0.430 115.402 115.700 0.220 0.000 2.359 756 S HA -0.193 4.276 4.470 -0.001 0.000 0.224 756 S C 1.571 176.270 174.600 0.164 0.000 1.035 756 S CA 1.461 59.882 58.200 0.369 0.000 1.018 756 S CB -0.710 62.689 63.200 0.331 0.000 0.876 756 S HN 0.564 nan 8.310 nan 0.000 0.448 757 H N -0.592 118.535 119.070 0.094 0.000 2.319 757 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 757 H C 1.962 177.291 175.328 0.002 0.000 1.092 757 H CA 1.748 57.803 56.048 0.012 0.000 1.302 757 H CB -0.243 29.468 29.762 -0.084 0.000 1.373 757 H HN 0.377 nan 8.280 nan 0.000 0.497 758 F N 0.879 120.812 119.950 -0.029 0.000 2.134 758 F HA -0.202 4.325 4.527 -0.001 0.000 0.299 758 F C 2.059 177.812 175.800 -0.079 0.000 1.097 758 F CA 0.964 58.920 58.000 -0.073 0.000 1.264 758 F CB -0.101 38.835 39.000 -0.108 0.000 1.001 758 F HN 0.073 nan 8.300 nan 0.000 0.479 759 I N 0.471 121.058 120.570 0.027 0.000 2.252 759 I HA -0.240 3.930 4.170 -0.001 0.000 0.245 759 I C 2.234 178.165 176.117 -0.310 0.000 1.102 759 I CA 1.380 62.533 61.300 -0.244 0.000 1.385 759 I CB -1.185 36.755 38.000 -0.100 0.000 1.064 759 I HN 0.181 nan 8.210 nan 0.000 0.414 760 K N 0.618 120.983 120.400 -0.059 0.000 2.063 760 K HA -0.257 4.063 4.320 -0.001 0.000 0.208 760 K C 2.048 178.645 176.600 -0.005 0.000 1.048 760 K CA 1.864 58.168 56.287 0.028 0.000 0.928 760 K CB -0.174 32.390 32.500 0.108 0.000 0.713 760 K HN 0.416 nan 8.250 nan 0.000 0.442 761 Q N 0.775 120.529 119.800 -0.076 0.000 2.079 761 Q HA -0.164 4.176 4.340 -0.001 0.000 0.200 761 Q C 2.217 178.129 176.000 -0.147 0.000 0.974 761 Q CA 1.859 57.603 55.803 -0.098 0.000 0.840 761 Q CB -0.946 27.723 28.738 -0.115 0.000 0.898 761 Q HN 0.338 nan 8.270 nan 0.000 0.430 762 c N -0.362 118.046 118.600 -0.319 0.000 2.422 762 c HA 0.012 4.582 4.570 -0.001 0.000 0.279 762 c C 1.569 175.681 174.090 0.037 0.000 1.305 762 c CA 0.344 56.504 56.329 -0.283 0.000 1.757 762 c CB -1.238 40.939 42.510 -0.555 0.000 1.962 762 c HN 0.631 nan 8.230 nan 0.000 0.499 763 F N 1.815 121.727 119.950 -0.063 0.000 2.693 763 F HA 0.253 4.780 4.527 -0.001 0.000 0.303 763 F C 1.550 177.337 175.800 -0.021 0.000 1.097 763 F CA 0.251 58.235 58.000 -0.026 0.000 1.330 763 F CB -1.128 37.866 39.000 -0.011 0.000 1.067 763 F HN 0.258 nan 8.300 nan 0.000 0.565 764 S N 0.918 116.704 115.700 0.144 0.000 3.631 764 S HA -0.220 4.249 4.470 -0.001 0.000 0.366 764 S C -0.121 174.527 174.600 0.080 0.000 0.993 764 S CA 0.088 58.334 58.200 0.077 0.000 1.167 764 S CB -2.345 60.887 63.200 0.054 0.000 0.909 764 S HN 0.254 nan 8.310 nan 0.000 0.478 765 L N 1.942 123.224 121.223 0.098 0.000 2.282 765 L HA 0.463 4.803 4.340 -0.001 0.000 0.288 765 L C -1.026 175.890 176.870 0.076 0.000 1.033 765 L CA -2.008 52.887 54.840 0.091 0.000 0.807 765 L CB 0.701 42.832 42.059 0.120 0.000 1.209 765 L HN 0.121 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.057 0.000 0.800 766 P CB 0.000 31.728 31.700 0.047 0.000 0.726