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 3ccb_1_B DATA FIRST_RESID 36 DATA SEQUENCE HHHSRKTYTL TDYLKNTYRL KLYSLRWISD HEYLYKQXXN 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 0.000 175.351 175.328 0.038 0.000 0.993 36 H CA 0.000 56.042 56.048 -0.010 0.000 1.023 36 H CB 0.000 29.738 29.762 -0.040 0.000 1.292 37 H N -2.812 116.156 119.070 -0.169 0.000 4.031 37 H HA -0.145 4.379 4.556 -0.053 0.000 0.134 37 H C 0.622 175.964 175.328 0.024 0.000 0.673 37 H CA 1.309 57.276 56.048 -0.136 0.000 1.205 37 H CB -2.074 27.575 29.762 -0.188 0.000 0.642 37 H HN 1.104 nan 8.280 nan 0.000 0.621 38 H N 0.733 119.912 119.070 0.181 0.000 2.679 38 H HA 0.634 5.159 4.556 -0.052 0.000 0.369 38 H C 0.735 176.164 175.328 0.169 0.000 1.178 38 H CA 0.530 56.669 56.048 0.152 0.000 1.419 38 H CB 0.427 30.264 29.762 0.125 0.000 1.458 38 H HN 0.274 nan 8.280 nan 0.000 0.605 39 S N 1.054 116.847 115.700 0.155 0.000 2.509 39 S HA 0.393 4.832 4.470 -0.052 0.000 0.287 39 S C 1.726 176.419 174.600 0.155 0.000 1.248 39 S CA 0.227 58.517 58.200 0.151 0.000 1.089 39 S CB 0.599 63.878 63.200 0.131 0.000 0.900 39 S HN 0.934 nan 8.310 nan 0.000 0.496 40 R N 3.257 123.841 120.500 0.139 0.000 2.191 40 R HA 0.275 4.584 4.340 -0.052 0.000 0.196 40 R C 0.727 177.096 176.300 0.116 0.000 0.991 40 R CA 0.517 56.686 56.100 0.115 0.000 1.075 40 R CB -0.592 29.759 30.300 0.084 0.000 1.040 40 R HN 0.520 nan 8.270 nan 0.000 0.526 41 K N 1.425 121.900 120.400 0.125 0.000 2.455 41 K HA 0.217 4.505 4.320 -0.052 0.000 0.269 41 K C 0.367 177.054 176.600 0.145 0.000 0.972 41 K CA 1.214 57.584 56.287 0.138 0.000 0.938 41 K CB 0.891 33.489 32.500 0.164 0.000 0.931 41 K HN 0.612 nan 8.250 nan 0.000 0.507 42 T N -1.846 112.807 114.554 0.165 0.000 2.865 42 T HA 0.283 4.602 4.350 -0.052 0.000 0.294 42 T C -1.335 173.516 174.700 0.252 0.000 1.119 42 T CA -0.810 61.400 62.100 0.184 0.000 1.007 42 T CB 0.508 69.478 68.868 0.170 0.000 1.225 42 T HN 0.405 nan 8.240 nan 0.000 0.515 43 Y N 2.993 123.378 120.300 0.142 0.000 2.585 43 Y HA 0.412 4.925 4.550 -0.062 0.000 0.354 43 Y C 0.967 177.045 175.900 0.298 0.000 1.024 43 Y CA -0.234 57.990 58.100 0.207 0.000 1.321 43 Y CB -0.131 38.400 38.460 0.120 0.000 1.151 43 Y HN 1.004 nan 8.280 nan 0.000 0.525 44 T N 2.324 116.885 114.554 0.012 0.000 2.847 44 T HA 0.106 4.425 4.350 -0.052 0.000 0.279 44 T C 1.044 175.639 174.700 -0.175 0.000 0.984 44 T CA -0.746 61.398 62.100 0.074 0.000 0.988 44 T CB 1.202 70.082 68.868 0.021 0.000 1.040 44 T HN 0.672 nan 8.240 nan 0.000 0.528 45 L N 1.193 122.126 121.223 -0.482 0.000 2.042 45 L HA -0.013 4.295 4.340 -0.052 0.000 0.210 45 L C 2.649 179.361 176.870 -0.263 0.000 1.076 45 L CA 2.179 56.606 54.840 -0.689 0.000 0.749 45 L CB -1.597 39.916 42.059 -0.909 0.000 0.893 45 L HN 0.973 nan 8.230 nan 0.000 0.432 46 T N -0.369 114.067 114.554 -0.197 0.000 2.720 46 T HA -0.180 4.138 4.350 -0.052 0.000 0.268 46 T C 1.488 176.098 174.700 -0.151 0.000 1.037 46 T CA 1.522 63.539 62.100 -0.137 0.000 1.144 46 T CB -0.393 68.419 68.868 -0.094 0.000 0.864 46 T HN 0.434 nan 8.240 nan 0.000 0.444 47 D N 0.165 120.443 120.400 -0.203 0.000 2.116 47 D HA -0.129 4.480 4.640 -0.052 0.000 0.193 47 D C 1.772 177.974 176.300 -0.163 0.000 0.998 47 D CA 1.261 55.112 54.000 -0.249 0.000 0.836 47 D CB -0.452 40.124 40.800 -0.372 0.000 0.951 47 D HN 0.443 nan 8.370 nan 0.000 0.449 48 Y N 1.382 121.488 120.300 -0.324 0.000 2.200 48 Y HA -0.097 4.460 4.550 0.012 0.000 0.290 48 Y C 2.215 178.122 175.900 0.011 0.000 1.137 48 Y CA 1.158 59.246 58.100 -0.020 0.000 1.163 48 Y CB -0.472 38.042 38.460 0.089 0.000 0.988 48 Y HN -0.088 nan 8.280 nan 0.000 0.518 49 L N -0.231 120.842 121.223 -0.251 0.000 2.131 49 L HA -0.110 4.198 4.340 -0.052 0.000 0.206 49 L C 1.809 178.579 176.870 -0.167 0.000 1.087 49 L CA 1.075 55.743 54.840 -0.286 0.000 0.767 49 L CB -0.377 41.576 42.059 -0.177 0.000 0.917 49 L HN 0.010 nan 8.230 nan 0.000 0.441 50 K N 0.032 120.357 120.400 -0.125 0.000 2.374 50 K HA 0.105 4.394 4.320 -0.052 0.000 0.196 50 K C 0.003 176.556 176.600 -0.078 0.000 1.023 50 K CA -0.071 56.161 56.287 -0.091 0.000 1.103 50 K CB -0.166 32.283 32.500 -0.085 0.000 0.848 50 K HN 0.151 nan 8.250 nan 0.000 0.528 51 N N 0.511 119.173 118.700 -0.062 0.000 2.740 51 N HA -0.172 4.537 4.740 -0.052 0.000 0.248 51 N C 0.308 175.798 175.510 -0.034 0.000 1.062 51 N CA 0.844 53.891 53.050 -0.004 0.000 0.704 51 N CB -1.272 37.208 38.487 -0.010 0.000 0.968 51 N HN 0.140 nan 8.380 nan 0.000 0.547 52 T N -1.196 113.284 114.554 -0.124 0.000 2.653 52 T HA -0.231 4.087 4.350 -0.052 0.000 0.268 52 T C 0.490 174.979 174.700 -0.351 0.000 1.035 52 T CA 1.590 63.487 62.100 -0.337 0.000 1.154 52 T CB -0.217 68.277 68.868 -0.623 0.000 0.862 52 T HN 0.376 nan 8.240 nan 0.000 0.441 53 Y N 1.462 121.859 120.300 0.162 0.000 2.491 53 Y HA 0.509 5.035 4.550 -0.040 0.000 0.334 53 Y C 0.461 176.470 175.900 0.182 0.000 0.969 53 Y CA -1.037 57.180 58.100 0.195 0.000 1.241 53 Y CB 0.422 39.058 38.460 0.293 0.000 1.105 53 Y HN -0.093 nan 8.280 nan 0.000 0.503 54 R N 3.273 123.913 120.500 0.232 0.000 2.265 54 R HA 0.489 4.798 4.340 -0.052 0.000 0.319 54 R C -0.944 175.461 176.300 0.174 0.000 1.006 54 R CA -0.644 55.559 56.100 0.171 0.000 0.880 54 R CB 0.726 31.084 30.300 0.097 0.000 1.077 54 R HN 0.681 nan 8.270 nan 0.000 0.454 55 L N 4.800 126.128 121.223 0.175 0.000 2.369 55 L HA 0.210 4.519 4.340 -0.052 0.000 0.279 55 L C 0.279 177.222 176.870 0.121 0.000 1.108 55 L CA 0.026 54.966 54.840 0.166 0.000 0.852 55 L CB 0.717 42.892 42.059 0.193 0.000 1.169 55 L HN 0.425 nan 8.230 nan 0.000 0.452 56 K N 3.109 123.570 120.400 0.103 0.000 2.298 56 K HA 0.436 4.725 4.320 -0.052 0.000 0.280 56 K C -0.583 176.022 176.600 0.008 0.000 1.032 56 K CA -0.445 55.875 56.287 0.055 0.000 0.958 56 K CB 0.949 33.481 32.500 0.053 0.000 0.978 56 K HN 0.271 nan 8.250 nan 0.000 0.472 57 L N 2.037 123.204 121.223 -0.093 0.000 2.347 57 L HA 0.424 4.732 4.340 -0.052 0.000 0.268 57 L C -0.893 175.664 176.870 -0.521 0.000 1.019 57 L CA -0.530 54.117 54.840 -0.321 0.000 0.806 57 L CB 0.480 42.474 42.059 -0.107 0.000 1.339 57 L HN 0.486 nan 8.230 nan 0.000 0.463 58 Y N 0.419 120.124 120.300 -0.992 0.000 2.517 58 Y HA 0.364 4.882 4.550 -0.053 0.000 0.346 58 Y C -0.353 175.343 175.900 -0.341 0.000 1.113 58 Y CA -0.715 57.005 58.100 -0.633 0.000 1.295 58 Y CB 1.136 39.114 38.460 -0.803 0.000 1.094 58 Y HN 0.498 nan 8.280 nan 0.000 0.608 59 S N 5.459 121.108 115.700 -0.086 0.000 2.489 59 S HA 0.749 5.187 4.470 -0.052 0.000 0.277 59 S C -0.759 173.843 174.600 0.003 0.000 1.230 59 S CA -0.421 57.779 58.200 0.000 0.000 1.053 59 S CB 0.429 63.648 63.200 0.032 0.000 0.955 59 S HN 0.592 nan 8.310 nan 0.000 0.488 60 L N 1.296 122.464 121.223 -0.091 0.000 2.277 60 L HA 0.844 5.153 4.340 -0.052 0.000 0.254 60 L C -0.625 176.165 176.870 -0.134 0.000 1.044 60 L CA -1.132 53.607 54.840 -0.168 0.000 0.842 60 L CB 1.524 43.180 42.059 -0.672 0.000 1.422 60 L HN 0.780 nan 8.230 nan 0.000 0.422 61 R N -0.284 120.151 120.500 -0.109 0.000 2.512 61 R HA 0.374 4.683 4.340 -0.052 0.000 0.291 61 R C -2.015 174.287 176.300 0.004 0.000 1.097 61 R CA -0.493 55.593 56.100 -0.023 0.000 0.940 61 R CB 0.449 30.787 30.300 0.063 0.000 1.198 61 R HN 0.734 nan 8.270 nan 0.000 0.429 62 W N 3.043 124.441 121.300 0.164 0.000 2.223 62 W HA 0.085 4.716 4.660 -0.050 0.000 0.334 62 W C 1.057 177.638 176.519 0.103 0.000 1.334 62 W CA -0.332 57.112 57.345 0.166 0.000 1.246 62 W CB 0.320 29.877 29.460 0.163 0.000 1.184 62 W HN 0.543 nan 8.180 nan 0.000 0.563 63 I N 1.781 122.528 120.570 0.295 0.000 3.172 63 I HA -0.038 4.100 4.170 -0.052 0.000 0.278 63 I C 1.304 177.479 176.117 0.096 0.000 1.174 63 I CA 0.887 62.259 61.300 0.120 0.000 1.445 63 I CB -0.318 37.675 38.000 -0.011 0.000 1.175 63 I HN 0.407 nan 8.210 nan 0.000 0.447 64 S N -1.786 113.978 115.700 0.107 0.000 3.331 64 S HA 0.316 4.754 4.470 -0.052 0.000 0.316 64 S C 0.486 175.130 174.600 0.073 0.000 1.104 64 S CA -0.292 57.912 58.200 0.008 0.000 0.977 64 S CB 0.731 63.795 63.200 -0.226 0.000 1.370 64 S HN -0.000 nan 8.310 nan 0.000 0.731 65 D N -0.039 120.375 120.400 0.023 0.000 2.339 65 D HA 0.164 4.773 4.640 -0.052 0.000 0.217 65 D C 0.872 177.381 176.300 0.349 0.000 1.050 65 D CA 0.584 54.687 54.000 0.170 0.000 0.856 65 D CB 0.009 40.961 40.800 0.252 0.000 0.922 65 D HN 0.682 nan 8.370 nan 0.000 0.518 66 H N -2.249 116.988 119.070 0.278 0.000 3.650 66 H HA 0.405 4.930 4.556 -0.052 0.000 0.260 66 H C -0.457 174.985 175.328 0.189 0.000 1.194 66 H CA -0.310 55.869 56.048 0.219 0.000 1.135 66 H CB 0.148 30.037 29.762 0.211 0.000 1.612 66 H HN 0.001 nan 8.280 nan 0.000 0.703 67 E N 1.157 121.470 120.200 0.187 0.000 2.293 67 E HA 0.448 4.766 4.350 -0.052 0.000 0.270 67 E C -1.518 175.211 176.600 0.216 0.000 0.879 67 E CA -1.129 55.329 56.400 0.096 0.000 0.756 67 E CB 2.836 32.498 29.700 -0.063 0.000 1.208 67 E HN 0.285 nan 8.360 nan 0.000 0.428 68 Y N -0.323 119.944 120.300 -0.055 0.000 2.581 68 Y HA 0.672 5.191 4.550 -0.052 0.000 0.345 68 Y C -1.515 174.339 175.900 -0.076 0.000 1.036 68 Y CA -1.458 56.494 58.100 -0.246 0.000 1.042 68 Y CB 0.821 38.739 38.460 -0.902 0.000 1.289 68 Y HN 0.347 nan 8.280 nan 0.000 0.471 69 L N 2.935 124.265 121.223 0.179 0.000 2.325 69 L HA 0.487 4.796 4.340 -0.052 0.000 0.279 69 L C -0.975 176.132 176.870 0.396 0.000 1.054 69 L CA -0.774 54.191 54.840 0.208 0.000 0.804 69 L CB 1.231 43.380 42.059 0.151 0.000 1.200 69 L HN 0.762 nan 8.230 nan 0.000 0.436 70 Y N 1.705 122.135 120.300 0.217 0.000 2.677 70 Y HA 0.473 4.991 4.550 -0.054 0.000 0.334 70 Y C -1.095 174.860 175.900 0.092 0.000 1.154 70 Y CA -1.638 56.523 58.100 0.102 0.000 1.070 70 Y CB 1.945 40.410 38.460 0.008 0.000 1.294 70 Y HN 0.392 nan 8.280 nan 0.000 0.475 71 K N 2.813 122.640 120.400 -0.954 0.000 2.616 71 K HA 0.332 4.621 4.320 -0.052 0.000 0.241 71 K C -0.895 175.337 176.600 -0.612 0.000 0.961 71 K CA -0.623 55.307 56.287 -0.594 0.000 0.942 71 K CB 0.851 33.107 32.500 -0.406 0.000 1.153 71 K HN 0.562 nan 8.250 nan 0.000 0.452 76 I N 2.679 123.212 120.570 -0.062 0.000 2.362 76 I HA 0.401 4.540 4.170 -0.052 0.000 0.289 76 I C -0.557 175.617 176.117 0.094 0.000 0.994 76 I CA -0.622 60.677 61.300 -0.000 0.000 1.158 76 I CB 1.208 39.188 38.000 -0.035 0.000 1.315 76 I HN 0.185 nan 8.210 nan 0.000 0.451 77 L N 6.756 128.046 121.223 0.111 0.000 2.319 77 L HA 0.568 4.877 4.340 -0.052 0.000 0.267 77 L C -0.159 176.730 176.870 0.032 0.000 1.011 77 L CA -1.021 53.844 54.840 0.041 0.000 0.818 77 L CB 1.946 43.949 42.059 -0.094 0.000 1.316 77 L HN 0.183 nan 8.230 nan 0.000 0.432 78 V N 2.287 122.143 119.914 -0.096 0.000 2.257 78 V HA 0.297 4.386 4.120 -0.052 0.000 0.269 78 V C -0.162 175.790 176.094 -0.237 0.000 1.040 78 V CA -0.475 61.737 62.300 -0.146 0.000 0.813 78 V CB 0.347 32.072 31.823 -0.162 0.000 1.065 78 V HN 0.368 nan 8.190 nan 0.000 0.457 79 F N 2.786 122.478 119.950 -0.431 0.000 2.538 79 F HA 0.190 4.686 4.527 -0.052 0.000 0.371 79 F C 0.988 176.497 175.800 -0.485 0.000 1.087 79 F CA 0.086 57.765 58.000 -0.535 0.000 1.250 79 F CB 0.339 38.768 39.000 -0.950 0.000 1.110 79 F HN 0.438 nan 8.300 nan 0.000 0.570 80 N N 2.049 120.689 118.700 -0.101 0.000 2.430 80 N HA 0.352 5.060 4.740 -0.052 0.000 0.265 80 N C 0.681 176.163 175.510 -0.046 0.000 1.100 80 N CA 0.094 53.127 53.050 -0.029 0.000 0.961 80 N CB 1.187 39.722 38.487 0.081 0.000 1.075 80 N HN 0.698 nan 8.380 nan 0.000 0.478 81 A N 3.245 125.992 122.820 -0.122 0.000 1.933 81 A HA -0.140 4.148 4.320 -0.052 0.000 0.218 81 A C 1.945 179.400 177.584 -0.215 0.000 1.175 81 A CA 1.104 53.042 52.037 -0.164 0.000 0.628 81 A CB -0.384 18.367 19.000 -0.414 0.000 0.814 81 A HN 0.765 nan 8.150 nan 0.000 0.444 82 E N -1.296 118.741 120.200 -0.271 0.000 2.086 82 E HA -0.087 4.232 4.350 -0.052 0.000 0.190 82 E C 1.593 178.033 176.600 -0.267 0.000 0.975 82 E CA 1.078 57.337 56.400 -0.235 0.000 0.813 82 E CB -0.137 29.389 29.700 -0.290 0.000 0.768 82 E HN 0.722 nan 8.360 nan 0.000 0.457 83 Y N -0.953 119.356 120.300 0.015 0.000 2.389 83 Y HA 0.181 4.700 4.550 -0.053 0.000 0.292 83 Y C 1.911 177.824 175.900 0.021 0.000 1.117 83 Y CA 0.939 59.049 58.100 0.017 0.000 1.195 83 Y CB 0.330 38.795 38.460 0.008 0.000 1.076 83 Y HN 0.226 nan 8.280 nan 0.000 0.548 84 G N 0.153 109.057 108.800 0.173 0.000 2.213 84 G HA2 -0.298 3.631 3.960 -0.052 0.000 0.236 84 G HA3 -0.298 3.631 3.960 -0.052 0.000 0.236 84 G C 0.093 175.059 174.900 0.110 0.000 0.991 84 G CA 0.011 45.211 45.100 0.166 0.000 0.629 84 G HN 0.445 nan 8.290 nan 0.000 0.517 85 N N 1.136 119.882 118.700 0.077 0.000 2.438 85 N HA 0.380 5.088 4.740 -0.052 0.000 0.267 85 N C -0.147 175.280 175.510 -0.138 0.000 1.222 85 N CA 0.917 53.949 53.050 -0.030 0.000 0.930 85 N CB 1.037 39.507 38.487 -0.029 0.000 1.083 85 N HN 0.880 nan 8.380 nan 0.000 0.476 86 S N 1.034 116.551 115.700 -0.304 0.000 2.669 86 S HA 0.364 4.803 4.470 -0.052 0.000 0.315 86 S C -0.231 174.169 174.600 -0.334 0.000 1.106 86 S CA -0.959 56.936 58.200 -0.510 0.000 1.107 86 S CB 0.257 62.637 63.200 -1.366 0.000 0.990 86 S HN 0.614 nan 8.310 nan 0.000 0.471 87 S N 2.405 117.985 115.700 -0.199 0.000 2.580 87 S HA 0.476 4.915 4.470 -0.052 0.000 0.274 87 S C 0.276 174.823 174.600 -0.089 0.000 1.329 87 S CA -0.830 57.301 58.200 -0.115 0.000 1.036 87 S CB 0.574 63.742 63.200 -0.054 0.000 0.919 87 S HN 0.703 nan 8.310 nan 0.000 0.515 88 V N 3.724 123.598 119.914 -0.066 0.000 2.521 88 V HA 0.123 4.212 4.120 -0.052 0.000 0.286 88 V C 0.553 176.666 176.094 0.030 0.000 1.034 88 V CA 0.023 62.300 62.300 -0.038 0.000 1.045 88 V CB -0.255 31.530 31.823 -0.064 0.000 0.974 88 V HN 0.992 nan 8.190 nan 0.000 0.480 89 F N 4.797 124.691 119.950 -0.093 0.000 2.437 89 F HA 0.469 4.964 4.527 -0.053 0.000 0.288 89 F C 0.395 176.149 175.800 -0.077 0.000 1.085 89 F CA 0.401 58.358 58.000 -0.071 0.000 1.430 89 F CB 0.695 39.666 39.000 -0.048 0.000 1.120 89 F HN 0.372 nan 8.300 nan 0.000 0.556 90 L N 1.400 122.581 121.223 -0.070 0.000 2.580 90 L HA 0.307 4.616 4.340 -0.052 0.000 0.266 90 L C -1.112 175.667 176.870 -0.153 0.000 0.955 90 L CA -0.486 54.241 54.840 -0.188 0.000 0.886 90 L CB 1.491 43.459 42.059 -0.151 0.000 1.263 90 L HN -0.096 nan 8.230 nan 0.000 0.406 91 E N 1.214 121.298 120.200 -0.193 0.000 2.373 91 E HA 0.110 4.429 4.350 -0.052 0.000 0.267 91 E C 1.031 177.521 176.600 -0.183 0.000 1.032 91 E CA 0.384 56.684 56.400 -0.168 0.000 0.889 91 E CB 0.593 30.192 29.700 -0.168 0.000 0.984 91 E HN 0.638 nan 8.360 nan 0.000 0.425 92 N N 0.796 119.417 118.700 -0.132 0.000 2.192 92 N HA -0.289 4.419 4.740 -0.052 0.000 0.188 92 N C 1.266 176.703 175.510 -0.121 0.000 1.013 92 N CA 1.632 54.617 53.050 -0.107 0.000 0.863 92 N CB -0.157 38.282 38.487 -0.081 0.000 0.990 92 N HN 0.365 nan 8.380 nan 0.000 0.430 93 S N -1.424 114.184 115.700 -0.154 0.000 2.453 93 S HA -0.055 4.383 4.470 -0.052 0.000 0.231 93 S C 1.710 176.158 174.600 -0.253 0.000 1.005 93 S CA 0.915 59.021 58.200 -0.156 0.000 0.949 93 S CB -1.043 62.079 63.200 -0.131 0.000 0.774 93 S HN 0.335 nan 8.310 nan 0.000 0.510 94 T N 1.618 115.908 114.554 -0.440 0.000 2.802 94 T HA -0.063 4.255 4.350 -0.052 0.000 0.269 94 T C 0.189 174.305 174.700 -0.973 0.000 1.062 94 T CA 1.327 62.947 62.100 -0.800 0.000 1.133 94 T CB -0.516 67.636 68.868 -1.193 0.000 0.852 94 T HN 0.607 nan 8.240 nan 0.000 0.485 95 F N 0.636 120.474 119.950 -0.186 0.000 2.908 95 F HA 0.379 4.874 4.527 -0.053 0.000 0.328 95 F C 0.892 176.673 175.800 -0.031 0.000 1.211 95 F CA -1.206 56.716 58.000 -0.130 0.000 1.291 95 F CB 0.165 38.998 39.000 -0.278 0.000 0.962 95 F HN -0.064 nan 8.300 nan 0.000 0.505 96 D N 0.516 120.942 120.400 0.043 0.000 2.194 96 D HA -0.084 4.524 4.640 -0.052 0.000 0.204 96 D C 1.514 177.851 176.300 0.063 0.000 0.964 96 D CA 1.098 55.122 54.000 0.040 0.000 0.846 96 D CB 0.073 40.863 40.800 -0.016 0.000 0.962 96 D HN 0.430 nan 8.370 nan 0.000 0.490 97 E N -0.539 119.703 120.200 0.069 0.000 2.502 97 E HA -0.002 4.317 4.350 -0.052 0.000 0.194 97 E C 1.221 177.877 176.600 0.092 0.000 1.062 97 E CA -0.284 56.149 56.400 0.055 0.000 0.867 97 E CB -0.082 29.639 29.700 0.036 0.000 0.888 97 E HN 0.226 nan 8.360 nan 0.000 0.510 98 F N 0.802 120.760 119.950 0.014 0.000 2.216 98 F HA -0.075 4.421 4.527 -0.052 0.000 0.300 98 F C 1.817 177.585 175.800 -0.053 0.000 1.085 98 F CA 1.640 59.647 58.000 0.012 0.000 1.326 98 F CB 0.134 39.149 39.000 0.025 0.000 1.027 98 F HN 0.167 nan 8.300 nan 0.000 0.497 99 G N -0.833 107.922 108.800 -0.076 0.000 2.176 99 G HA2 -0.256 3.673 3.960 -0.052 0.000 0.253 99 G HA3 -0.256 3.673 3.960 -0.052 0.000 0.253 99 G C 0.112 174.717 174.900 -0.492 0.000 0.979 99 G CA 0.335 45.251 45.100 -0.306 0.000 0.641 99 G HN 0.544 nan 8.290 nan 0.000 0.530 100 H N -0.464 118.632 119.070 0.042 0.000 2.895 100 H HA 0.576 5.100 4.556 -0.053 0.000 0.373 100 H C -0.444 174.988 175.328 0.173 0.000 1.174 100 H CA -0.016 56.096 56.048 0.107 0.000 1.144 100 H CB 1.696 31.456 29.762 -0.003 0.000 1.793 100 H HN 0.182 nan 8.280 nan 0.000 0.551 101 S N 2.450 118.293 115.700 0.239 0.000 2.455 101 S HA 0.137 4.576 4.470 -0.052 0.000 0.278 101 S C 0.311 174.974 174.600 0.105 0.000 1.216 101 S CA -0.851 57.428 58.200 0.132 0.000 1.055 101 S CB -0.569 62.690 63.200 0.098 0.000 0.939 101 S HN 0.327 nan 8.310 nan 0.000 0.494 102 I N 5.839 126.402 120.570 -0.012 0.000 2.421 102 I HA 0.084 4.223 4.170 -0.052 0.000 0.291 102 I C 1.438 177.526 176.117 -0.049 0.000 1.089 102 I CA 0.020 61.263 61.300 -0.096 0.000 1.354 102 I CB -0.228 37.618 38.000 -0.255 0.000 1.413 102 I HN 0.754 nan 8.210 nan 0.000 0.513 103 N N 4.826 123.505 118.700 -0.034 0.000 2.135 103 N HA -0.106 4.603 4.740 -0.052 0.000 0.186 103 N C 0.272 175.730 175.510 -0.087 0.000 1.027 103 N CA 1.467 54.461 53.050 -0.093 0.000 0.849 103 N CB 0.391 38.787 38.487 -0.151 0.000 1.002 103 N HN 0.710 nan 8.380 nan 0.000 0.425 104 D N -3.008 117.368 120.400 -0.040 0.000 2.643 104 D HA 0.253 4.862 4.640 -0.052 0.000 0.283 104 D C -1.611 174.753 176.300 0.106 0.000 1.242 104 D CA -0.574 53.438 54.000 0.020 0.000 0.863 104 D CB 0.909 41.690 40.800 -0.032 0.000 1.382 104 D HN 0.119 nan 8.370 nan 0.000 0.444 105 Y N -1.352 118.952 120.300 0.006 0.000 2.644 105 Y HA 0.768 5.285 4.550 -0.055 0.000 0.338 105 Y C -1.312 174.662 175.900 0.122 0.000 1.119 105 Y CA -1.015 57.107 58.100 0.036 0.000 1.060 105 Y CB 1.730 40.189 38.460 -0.002 0.000 1.294 105 Y HN 0.162 nan 8.280 nan 0.000 0.472 106 S N 2.814 118.638 115.700 0.207 0.000 2.706 106 S HA 0.541 4.980 4.470 -0.052 0.000 0.270 106 S C -1.599 173.315 174.600 0.522 0.000 1.163 106 S CA -0.715 57.615 58.200 0.217 0.000 1.042 106 S CB 0.084 63.409 63.200 0.208 0.000 1.079 106 S HN 0.648 nan 8.310 nan 0.000 0.474 107 I N 4.587 125.387 120.570 0.382 0.000 2.441 107 I HA 0.242 4.381 4.170 -0.052 0.000 0.287 107 I C 1.229 177.286 176.117 -0.100 0.000 1.049 107 I CA -0.291 61.166 61.300 0.262 0.000 1.381 107 I CB 1.002 39.144 38.000 0.238 0.000 1.409 107 I HN 0.803 nan 8.210 nan 0.000 0.523 108 S N 6.628 121.970 115.700 -0.596 0.000 2.560 108 S HA 0.136 4.575 4.470 -0.052 0.000 0.284 108 S C -1.717 172.608 174.600 -0.460 0.000 1.327 108 S CA -0.835 56.611 58.200 -1.257 0.000 1.055 108 S CB 0.643 62.967 63.200 -1.461 0.000 0.868 108 S HN 0.439 nan 8.310 nan 0.000 0.506 109 P HA -0.148 nan 4.420 nan 0.000 0.219 109 P C 0.606 177.850 177.300 -0.093 0.000 1.144 109 P CA 1.587 64.608 63.100 -0.131 0.000 0.806 109 P CB -0.136 31.505 31.700 -0.100 0.000 0.771 110 D N -2.527 117.813 120.400 -0.099 0.000 2.342 110 D HA 0.128 4.737 4.640 -0.052 0.000 0.221 110 D C 1.255 177.540 176.300 -0.026 0.000 1.101 110 D CA 0.080 54.063 54.000 -0.029 0.000 0.837 110 D CB -1.181 39.643 40.800 0.041 0.000 0.938 110 D HN 0.110 nan 8.370 nan 0.000 0.508 111 G N 0.860 109.632 108.800 -0.046 0.000 2.269 111 G HA2 -0.406 3.523 3.960 -0.052 0.000 0.277 111 G HA3 -0.406 3.523 3.960 -0.052 0.000 0.277 111 G C 0.821 175.744 174.900 0.038 0.000 1.008 111 G CA 0.872 46.002 45.100 0.049 0.000 0.774 111 G HN 0.489 nan 8.290 nan 0.000 0.511 112 Q N -1.951 117.778 119.800 -0.118 0.000 2.391 112 Q HA 0.376 4.685 4.340 -0.052 0.000 0.211 112 Q C 0.147 175.694 176.000 -0.756 0.000 0.908 112 Q CA 0.556 56.111 55.803 -0.413 0.000 0.920 112 Q CB 0.582 29.027 28.738 -0.488 0.000 1.056 112 Q HN 0.567 nan 8.270 nan 0.000 0.523 113 F N -0.315 119.560 119.950 -0.125 0.000 2.588 113 F HA 0.502 4.997 4.527 -0.053 0.000 0.310 113 F C -0.645 175.239 175.800 0.140 0.000 1.082 113 F CA -1.092 56.905 58.000 -0.006 0.000 0.929 113 F CB 1.854 40.841 39.000 -0.022 0.000 1.254 113 F HN -0.201 nan 8.300 nan 0.000 0.455 114 I N 2.895 123.778 120.570 0.522 0.000 2.509 114 I HA 0.537 4.676 4.170 -0.052 0.000 0.293 114 I C -1.792 174.647 176.117 0.537 0.000 1.020 114 I CA -1.110 60.505 61.300 0.526 0.000 1.088 114 I CB 1.714 39.969 38.000 0.425 0.000 1.267 114 I HN 0.538 nan 8.210 nan 0.000 0.430 115 L N 8.009 129.552 121.223 0.532 0.000 2.264 115 L HA 0.504 4.813 4.340 -0.052 0.000 0.289 115 L C -1.238 175.764 176.870 0.221 0.000 1.044 115 L CA -0.088 54.946 54.840 0.323 0.000 0.807 115 L CB 1.109 43.264 42.059 0.160 0.000 1.192 115 L HN 0.476 nan 8.230 nan 0.000 0.425 116 L N 4.937 126.233 121.223 0.121 0.000 2.287 116 L HA 0.507 4.816 4.340 -0.052 0.000 0.287 116 L C -0.067 176.846 176.870 0.071 0.000 1.022 116 L CA -0.350 54.458 54.840 -0.054 0.000 0.814 116 L CB 1.469 43.252 42.059 -0.460 0.000 1.217 116 L HN 0.584 nan 8.230 nan 0.000 0.420 117 E N 3.692 123.894 120.200 0.004 0.000 2.156 117 E HA 0.447 4.766 4.350 -0.052 0.000 0.279 117 E C -1.589 174.977 176.600 -0.056 0.000 0.965 117 E CA -0.531 55.745 56.400 -0.207 0.000 0.789 117 E CB 1.090 30.744 29.700 -0.077 0.000 1.098 117 E HN 0.454 nan 8.360 nan 0.000 0.397 118 Y N 1.542 121.667 120.300 -0.292 0.000 2.728 118 Y HA 0.425 4.943 4.550 -0.054 0.000 0.330 118 Y C -0.178 175.656 175.900 -0.109 0.000 1.234 118 Y CA -1.614 56.411 58.100 -0.124 0.000 1.070 118 Y CB 0.449 38.903 38.460 -0.011 0.000 1.300 118 Y HN 0.484 nan 8.280 nan 0.000 0.467 119 N N -0.240 118.492 118.700 0.053 0.000 2.721 119 N HA -0.305 4.404 4.740 -0.052 0.000 0.249 119 N C -0.977 174.515 175.510 -0.029 0.000 1.072 119 N CA 1.066 54.105 53.050 -0.019 0.000 0.710 119 N CB -1.527 36.860 38.487 -0.167 0.000 0.993 119 N HN 0.858 nan 8.380 nan 0.000 0.547 120 Y N 0.182 120.424 120.300 -0.098 0.000 2.650 120 Y HA 0.254 4.774 4.550 -0.050 0.000 0.331 120 Y C 0.006 175.879 175.900 -0.045 0.000 1.165 120 Y CA -0.005 58.038 58.100 -0.096 0.000 1.473 120 Y CB 0.656 39.007 38.460 -0.181 0.000 1.224 120 Y HN -0.004 nan 8.280 nan 0.000 0.533 121 V N 8.127 127.733 119.914 -0.513 0.000 2.419 121 V HA 0.191 4.280 4.120 -0.052 0.000 0.287 121 V C -0.193 175.545 176.094 -0.593 0.000 1.017 121 V CA -1.430 60.608 62.300 -0.436 0.000 0.844 121 V CB 1.172 32.876 31.823 -0.200 0.000 1.011 121 V HN 0.740 nan 8.190 nan 0.000 0.429 122 K N 3.386 123.390 120.400 -0.659 0.000 2.485 122 K HA 0.119 4.408 4.320 -0.052 0.000 0.277 122 K C 0.472 176.895 176.600 -0.295 0.000 0.990 122 K CA 0.439 56.486 56.287 -0.401 0.000 0.994 122 K CB 0.939 33.377 32.500 -0.102 0.000 0.906 122 K HN 0.814 nan 8.250 nan 0.000 0.488 123 Q N 2.729 122.334 119.800 -0.324 0.000 2.653 123 Q HA 0.157 4.466 4.340 -0.052 0.000 0.212 123 Q C 0.065 175.822 176.000 -0.405 0.000 0.951 123 Q CA -0.327 55.077 55.803 -0.665 0.000 0.535 123 Q CB 0.109 28.270 28.738 -0.963 0.000 3.737 123 Q HN 0.715 nan 8.270 nan 0.000 0.401 124 W N 0.317 121.616 121.300 -0.001 0.000 1.756 124 W HA 0.355 4.982 4.660 -0.054 0.000 0.638 124 W C 1.824 178.343 176.519 -0.001 0.000 1.472 124 W CA -0.653 56.724 57.345 0.052 0.000 1.437 124 W CB -0.189 29.288 29.460 0.028 0.000 3.368 124 W HN 0.269 nan 8.180 nan 0.000 0.771 125 R N -0.593 120.010 120.500 0.171 0.000 2.115 125 R HA -0.102 4.207 4.340 -0.052 0.000 0.226 125 R C 1.618 177.766 176.300 -0.253 0.000 1.100 125 R CA 1.515 57.553 56.100 -0.103 0.000 0.980 125 R CB -0.304 29.816 30.300 -0.300 0.000 0.875 125 R HN 0.514 nan 8.270 nan 0.000 0.445 126 H N -1.063 118.090 119.070 0.140 0.000 2.800 126 H HA 0.155 4.680 4.556 -0.051 0.000 0.257 126 H C 0.591 176.030 175.328 0.185 0.000 0.967 126 H CA 0.489 56.641 56.048 0.174 0.000 1.192 126 H CB 0.278 30.116 29.762 0.126 0.000 1.441 126 H HN 0.126 nan 8.280 nan 0.000 0.461 127 S N 1.329 117.045 115.700 0.026 0.000 2.580 127 S HA 0.389 4.828 4.470 -0.052 0.000 0.274 127 S C -0.253 174.233 174.600 -0.191 0.000 1.329 127 S CA -0.484 57.432 58.200 -0.473 0.000 1.036 127 S CB 0.763 63.156 63.200 -1.344 0.000 0.919 127 S HN 0.460 nan 8.310 nan 0.000 0.515 128 Y N -2.027 118.126 120.300 -0.244 0.000 2.818 128 Y HA 0.743 5.264 4.550 -0.048 0.000 0.341 128 Y C -0.888 174.986 175.900 -0.044 0.000 1.283 128 Y CA -1.222 56.740 58.100 -0.230 0.000 1.075 128 Y CB 0.782 39.071 38.460 -0.286 0.000 1.370 128 Y HN 0.588 nan 8.280 nan 0.000 0.448 129 T N 1.152 115.773 114.554 0.111 0.000 2.893 129 T HA 0.906 5.225 4.350 -0.052 0.000 0.291 129 T C -1.188 173.597 174.700 0.143 0.000 1.028 129 T CA -0.012 62.146 62.100 0.096 0.000 0.995 129 T CB 1.394 70.259 68.868 -0.006 0.000 1.051 129 T HN 1.189 nan 8.240 nan 0.000 0.470 130 A N 1.666 124.535 122.820 0.082 0.000 2.612 130 A HA 0.775 5.063 4.320 -0.052 0.000 0.293 130 A C -0.625 176.731 177.584 -0.379 0.000 1.075 130 A CA -0.744 51.191 52.037 -0.169 0.000 0.680 130 A CB 1.348 20.210 19.000 -0.230 0.000 1.279 130 A HN 0.657 nan 8.150 nan 0.000 0.411 131 S N -0.477 114.788 115.700 -0.725 0.000 2.646 131 S HA 0.771 5.209 4.470 -0.052 0.000 0.276 131 S C -1.316 172.669 174.600 -1.026 0.000 1.222 131 S CA 0.057 57.749 58.200 -0.846 0.000 1.014 131 S CB 0.430 62.804 63.200 -1.376 0.000 0.991 131 S HN 0.459 nan 8.310 nan 0.000 0.533 132 Y N -0.078 120.021 120.300 -0.335 0.000 2.470 132 Y HA 0.432 4.951 4.550 -0.052 0.000 0.341 132 Y C -0.188 175.753 175.900 0.068 0.000 1.021 132 Y CA -0.888 57.153 58.100 -0.099 0.000 1.025 132 Y CB 1.777 40.123 38.460 -0.190 0.000 1.266 132 Y HN 0.528 nan 8.280 nan 0.000 0.448 133 D N 2.312 122.930 120.400 0.364 0.000 2.477 133 D HA 0.616 5.224 4.640 -0.052 0.000 0.234 133 D C -1.024 175.417 176.300 0.235 0.000 1.048 133 D CA -0.391 53.791 54.000 0.303 0.000 0.959 133 D CB 2.884 43.958 40.800 0.456 0.000 1.408 133 D HN 0.402 nan 8.370 nan 0.000 0.496 134 I N 1.430 122.139 120.570 0.231 0.000 2.436 134 I HA 0.225 4.363 4.170 -0.052 0.000 0.289 134 I C -1.123 175.216 176.117 0.371 0.000 1.010 134 I CA -0.897 60.573 61.300 0.283 0.000 1.098 134 I CB 1.782 39.910 38.000 0.213 0.000 1.266 134 I HN 0.219 nan 8.210 nan 0.000 0.434 135 Y N 5.402 125.874 120.300 0.286 0.000 2.331 135 Y HA 0.282 4.802 4.550 -0.050 0.000 0.338 135 Y C -0.017 176.052 175.900 0.282 0.000 0.992 135 Y CA -0.598 57.671 58.100 0.282 0.000 1.121 135 Y CB 1.098 39.760 38.460 0.337 0.000 1.184 135 Y HN 0.479 nan 8.280 nan 0.000 0.469 136 D N 6.498 126.819 120.400 -0.131 0.000 2.344 136 D HA 0.046 4.655 4.640 -0.052 0.000 0.253 136 D C 0.847 176.891 176.300 -0.427 0.000 1.255 136 D CA 0.410 54.272 54.000 -0.231 0.000 0.894 136 D CB 0.784 41.490 40.800 -0.156 0.000 1.067 136 D HN 0.872 nan 8.370 nan 0.000 0.492 137 L N 3.688 124.729 121.223 -0.303 0.000 2.131 137 L HA -0.185 4.124 4.340 -0.052 0.000 0.210 137 L C 2.041 178.768 176.870 -0.239 0.000 1.092 137 L CA 0.757 55.491 54.840 -0.176 0.000 0.759 137 L CB -0.207 41.773 42.059 -0.131 0.000 0.903 137 L HN 0.377 nan 8.230 nan 0.000 0.435 138 N N -0.387 118.123 118.700 -0.317 0.000 2.290 138 N HA -0.117 4.592 4.740 -0.052 0.000 0.179 138 N C 1.689 177.079 175.510 -0.201 0.000 1.016 138 N CA 0.939 53.848 53.050 -0.235 0.000 0.871 138 N CB 0.022 38.366 38.487 -0.238 0.000 0.987 138 N HN 0.280 nan 8.380 nan 0.000 0.431 139 K N 0.895 121.152 120.400 -0.238 0.000 2.400 139 K HA 0.124 4.412 4.320 -0.052 0.000 0.194 139 K C -0.148 176.322 176.600 -0.217 0.000 1.033 139 K CA -0.092 56.082 56.287 -0.187 0.000 1.021 139 K CB 0.482 32.888 32.500 -0.158 0.000 0.808 139 K HN -0.003 nan 8.250 nan 0.000 0.505 140 R N 1.535 121.848 120.500 -0.311 0.000 3.267 140 R HA -0.186 4.122 4.340 -0.052 0.000 0.254 140 R C -1.277 174.797 176.300 -0.378 0.000 0.993 140 R CA 0.993 56.915 56.100 -0.298 0.000 0.670 140 R CB -1.360 28.885 30.300 -0.091 0.000 1.125 140 R HN 0.507 nan 8.270 nan 0.000 0.434 141 Q N -0.718 118.586 119.800 -0.826 0.000 2.776 141 Q HA 0.277 4.586 4.340 -0.052 0.000 0.289 141 Q C -1.298 174.500 176.000 -0.336 0.000 0.912 141 Q CA -1.227 54.331 55.803 -0.408 0.000 0.789 141 Q CB 0.796 29.469 28.738 -0.109 0.000 1.498 141 Q HN 0.064 nan 8.270 nan 0.000 0.408 142 L N 1.441 122.737 121.223 0.122 0.000 2.410 142 L HA 0.247 4.556 4.340 -0.052 0.000 0.273 142 L C -0.192 176.748 176.870 0.116 0.000 1.152 142 L CA -0.161 54.820 54.840 0.235 0.000 0.855 142 L CB 0.354 42.603 42.059 0.316 0.000 1.129 142 L HN 0.514 nan 8.230 nan 0.000 0.463 143 I N 2.444 123.092 120.570 0.129 0.000 2.452 143 I HA 0.003 4.142 4.170 -0.052 0.000 0.287 143 I C 1.335 177.493 176.117 0.069 0.000 1.079 143 I CA 0.705 62.057 61.300 0.086 0.000 1.387 143 I CB 1.173 39.227 38.000 0.090 0.000 1.404 143 I HN 0.798 nan 8.210 nan 0.000 0.522 144 T N 1.640 116.217 114.554 0.039 0.000 2.990 144 T HA 0.149 4.468 4.350 -0.052 0.000 0.249 144 T C 0.513 175.211 174.700 -0.004 0.000 1.039 144 T CA -0.336 61.776 62.100 0.021 0.000 1.036 144 T CB -0.053 68.825 68.868 0.016 0.000 0.994 144 T HN 0.535 nan 8.240 nan 0.000 0.489 145 E N 2.324 122.520 120.200 -0.006 0.000 2.301 145 E HA 0.157 4.475 4.350 -0.052 0.000 0.275 145 E C -0.498 176.077 176.600 -0.041 0.000 1.030 145 E CA -0.396 55.990 56.400 -0.023 0.000 0.852 145 E CB 0.602 30.293 29.700 -0.016 0.000 1.060 145 E HN 0.286 nan 8.360 nan 0.000 0.401 146 E N 0.856 121.018 120.200 -0.063 0.000 2.440 146 E HA -0.235 4.084 4.350 -0.052 0.000 0.246 146 E C -0.471 176.054 176.600 -0.124 0.000 1.165 146 E CA 0.682 57.027 56.400 -0.093 0.000 0.726 146 E CB -1.487 28.168 29.700 -0.075 0.000 1.271 146 E HN 0.564 nan 8.360 nan 0.000 0.397 147 R N -0.148 120.278 120.500 -0.124 0.000 2.698 147 R HA 0.183 4.491 4.340 -0.052 0.000 0.266 147 R C 1.174 177.311 176.300 -0.272 0.000 1.026 147 R CA -0.037 55.976 56.100 -0.145 0.000 1.102 147 R CB 0.343 30.585 30.300 -0.097 0.000 0.978 147 R HN 0.151 nan 8.270 nan 0.000 0.436 148 I N 5.008 125.379 120.570 -0.332 0.000 2.775 148 I HA -0.017 4.122 4.170 -0.052 0.000 0.290 148 I C -1.440 174.367 176.117 -0.517 0.000 1.203 148 I CA -1.164 59.778 61.300 -0.596 0.000 1.433 148 I CB 0.261 37.910 38.000 -0.585 0.000 1.354 148 I HN 0.408 nan 8.210 nan 0.000 0.579 149 P HA 0.084 nan 4.420 nan 0.000 0.274 149 P C -0.868 176.210 177.300 -0.370 0.000 1.246 149 P CA -0.467 62.242 63.100 -0.651 0.000 0.795 149 P CB 0.457 31.364 31.700 -1.321 0.000 1.006 150 N N 1.115 119.687 118.700 -0.213 0.000 2.381 150 N HA -0.032 4.677 4.740 -0.052 0.000 0.241 150 N C 0.389 175.964 175.510 0.108 0.000 1.279 150 N CA 0.431 53.431 53.050 -0.083 0.000 0.896 150 N CB -0.773 37.688 38.487 -0.045 0.000 1.118 150 N HN 0.441 nan 8.380 nan 0.000 0.438 151 N N -1.926 116.825 118.700 0.085 0.000 2.818 151 N HA -0.160 4.549 4.740 -0.052 0.000 0.250 151 N C -1.074 174.606 175.510 0.283 0.000 1.108 151 N CA 0.634 53.781 53.050 0.163 0.000 0.745 151 N CB -1.409 37.185 38.487 0.180 0.000 1.104 151 N HN 0.453 nan 8.380 nan 0.000 0.557 152 T N 0.375 115.082 114.554 0.255 0.000 2.901 152 T HA 0.087 4.406 4.350 -0.052 0.000 0.301 152 T C 1.419 176.267 174.700 0.247 0.000 1.012 152 T CA 0.058 62.330 62.100 0.287 0.000 1.135 152 T CB 1.261 70.228 68.868 0.164 0.000 0.936 152 T HN 0.181 nan 8.240 nan 0.000 0.539 153 Q N 1.609 121.548 119.800 0.232 0.000 2.297 153 Q HA 0.170 4.479 4.340 -0.052 0.000 0.203 153 Q C 0.105 176.254 176.000 0.247 0.000 0.931 153 Q CA 0.335 56.287 55.803 0.248 0.000 0.885 153 Q CB 0.871 29.712 28.738 0.172 0.000 0.991 153 Q HN 0.700 nan 8.270 nan 0.000 0.498 154 W N 0.228 121.472 121.300 -0.092 0.000 3.573 154 W HA 0.457 5.085 4.660 -0.054 0.000 0.306 154 W C -2.229 174.186 176.519 -0.173 0.000 1.227 154 W CA -0.622 56.620 57.345 -0.171 0.000 1.212 154 W CB 1.362 30.659 29.460 -0.271 0.000 1.331 154 W HN -0.348 nan 8.180 nan 0.000 0.524 155 V N 3.308 122.555 119.914 -1.112 0.000 2.841 155 V HA 0.756 4.845 4.120 -0.052 0.000 0.310 155 V C -0.449 175.012 176.094 -1.055 0.000 1.090 155 V CA -0.682 61.063 62.300 -0.925 0.000 0.930 155 V CB 1.755 32.897 31.823 -1.136 0.000 1.014 155 V HN 0.497 nan 8.190 nan 0.000 0.425 156 T N 2.314 116.540 114.554 -0.546 0.000 3.097 156 T HA 0.470 4.789 4.350 -0.052 0.000 0.332 156 T C -1.618 173.057 174.700 -0.041 0.000 1.269 156 T CA -0.360 61.587 62.100 -0.255 0.000 1.076 156 T CB 0.786 69.727 68.868 0.122 0.000 1.209 156 T HN 0.543 nan 8.240 nan 0.000 0.474 157 W N 3.302 124.610 121.300 0.012 0.000 2.150 157 W HA 0.440 5.068 4.660 -0.053 0.000 0.341 157 W C 1.308 177.615 176.519 -0.352 0.000 1.276 157 W CA -0.618 56.676 57.345 -0.085 0.000 1.238 157 W CB 0.599 30.019 29.460 -0.067 0.000 1.128 157 W HN 0.805 nan 8.180 nan 0.000 0.581 158 S N 1.564 116.935 115.700 -0.548 0.000 2.576 158 S HA 0.072 4.511 4.470 -0.052 0.000 0.272 158 S C -1.807 172.503 174.600 -0.483 0.000 1.352 158 S CA -0.906 56.494 58.200 -1.333 0.000 1.021 158 S CB 0.797 63.236 63.200 -1.269 0.000 0.887 158 S HN 0.296 nan 8.310 nan 0.000 0.542 159 P HA 0.081 nan 4.420 nan 0.000 0.229 159 P C 0.161 177.404 177.300 -0.095 0.000 1.160 159 P CA 0.517 63.558 63.100 -0.098 0.000 0.777 159 P CB -0.206 31.487 31.700 -0.012 0.000 0.814 160 V N -6.317 113.499 119.914 -0.164 0.000 3.040 160 V HA 0.897 4.986 4.120 -0.052 0.000 0.312 160 V C 0.554 176.539 176.094 -0.181 0.000 1.115 160 V CA -0.354 61.869 62.300 -0.129 0.000 0.998 160 V CB 0.992 32.760 31.823 -0.091 0.000 1.042 160 V HN 0.376 nan 8.190 nan 0.000 0.433 161 G N 2.086 110.801 108.800 -0.141 0.000 2.527 161 G HA2 -0.174 3.755 3.960 -0.052 0.000 0.268 161 G HA3 -0.174 3.755 3.960 -0.052 0.000 0.268 161 G C 0.209 175.020 174.900 -0.149 0.000 1.175 161 G CA 0.830 45.820 45.100 -0.182 0.000 0.962 161 G HN 2.564 nan 8.290 nan 0.000 0.560 162 H N -0.670 118.352 119.070 -0.080 0.000 3.233 162 H HA 0.388 4.912 4.556 -0.052 0.000 0.232 162 H C 0.229 175.668 175.328 0.184 0.000 1.322 162 H CA -0.126 55.901 56.048 -0.036 0.000 1.043 162 H CB -0.436 29.263 29.762 -0.106 0.000 2.572 162 H HN 0.546 nan 8.280 nan 0.000 0.597 163 K N 1.201 121.592 120.400 -0.014 0.000 2.276 163 K HA 0.315 4.603 4.320 -0.052 0.000 0.259 163 K C -0.649 176.056 176.600 0.176 0.000 1.001 163 K CA -0.547 55.750 56.287 0.016 0.000 0.927 163 K CB 1.151 33.521 32.500 -0.217 0.000 0.969 163 K HN -0.003 nan 8.250 nan 0.000 0.490 164 L N 0.942 122.307 121.223 0.237 0.000 2.401 164 L HA 0.549 4.858 4.340 -0.052 0.000 0.266 164 L C -1.366 175.712 176.870 0.346 0.000 0.991 164 L CA -0.349 54.596 54.840 0.176 0.000 0.818 164 L CB 1.829 43.882 42.059 -0.010 0.000 1.321 164 L HN 0.781 nan 8.230 nan 0.000 0.413 165 A N 3.770 126.778 122.820 0.313 0.000 2.374 165 A HA 0.782 5.071 4.320 -0.052 0.000 0.305 165 A C -1.848 175.765 177.584 0.049 0.000 1.053 165 A CA -0.401 51.713 52.037 0.128 0.000 0.726 165 A CB 1.087 20.091 19.000 0.007 0.000 1.229 165 A HN 0.707 nan 8.150 nan 0.000 0.431 166 Y N -0.074 120.189 120.300 -0.062 0.000 2.534 166 Y HA 0.731 5.250 4.550 -0.052 0.000 0.345 166 Y C -1.217 174.702 175.900 0.032 0.000 1.031 166 Y CA -1.565 56.480 58.100 -0.091 0.000 1.022 166 Y CB 1.120 39.465 38.460 -0.192 0.000 1.292 166 Y HN 0.375 nan 8.280 nan 0.000 0.459 167 V N 3.229 123.271 119.914 0.212 0.000 2.394 167 V HA 0.356 4.444 4.120 -0.052 0.000 0.282 167 V C -1.177 175.133 176.094 0.358 0.000 1.031 167 V CA -0.529 61.873 62.300 0.170 0.000 0.881 167 V CB 0.946 32.782 31.823 0.020 0.000 0.982 167 V HN 0.893 nan 8.190 nan 0.000 0.451 168 W N 4.714 126.119 121.300 0.175 0.000 3.129 168 W HA 0.438 5.066 4.660 -0.053 0.000 0.333 168 W C 0.295 176.876 176.519 0.104 0.000 1.141 168 W CA -0.818 56.609 57.345 0.136 0.000 1.224 168 W CB 1.226 30.757 29.460 0.118 0.000 1.393 168 W HN 0.765 nan 8.180 nan 0.000 0.499 169 N N 5.290 123.594 118.700 -0.659 0.000 2.710 169 N HA -0.371 4.338 4.740 -0.052 0.000 0.249 169 N C 0.158 175.486 175.510 -0.303 0.000 1.059 169 N CA 1.152 53.814 53.050 -0.647 0.000 0.720 169 N CB -1.003 36.852 38.487 -1.054 0.000 0.983 169 N HN 0.803 nan 8.380 nan 0.000 0.544 170 N N -1.945 116.648 118.700 -0.178 0.000 2.878 170 N HA -0.160 4.549 4.740 -0.052 0.000 0.247 170 N C -1.349 174.085 175.510 -0.127 0.000 1.021 170 N CA 0.994 53.961 53.050 -0.139 0.000 0.873 170 N CB -0.304 38.056 38.487 -0.213 0.000 1.128 170 N HN 0.409 nan 8.380 nan 0.000 0.571 171 D N 0.424 120.761 120.400 -0.105 0.000 2.433 171 D HA 0.514 5.123 4.640 -0.052 0.000 0.236 171 D C 0.046 176.195 176.300 -0.253 0.000 1.026 171 D CA -0.353 53.513 54.000 -0.223 0.000 0.884 171 D CB 1.652 42.269 40.800 -0.306 0.000 1.384 171 D HN 0.031 nan 8.370 nan 0.000 0.477 172 I N 1.625 121.892 120.570 -0.505 0.000 2.396 172 I HA 0.267 4.406 4.170 -0.052 0.000 0.292 172 I C -0.572 175.091 176.117 -0.756 0.000 0.999 172 I CA -0.468 60.516 61.300 -0.528 0.000 1.310 172 I CB 0.610 38.227 38.000 -0.638 0.000 1.404 172 I HN 0.164 nan 8.210 nan 0.000 0.496 173 Y N 4.013 123.917 120.300 -0.659 0.000 2.536 173 Y HA 0.678 5.197 4.550 -0.052 0.000 0.347 173 Y C -0.362 175.190 175.900 -0.579 0.000 1.000 173 Y CA -0.974 56.694 58.100 -0.721 0.000 1.051 173 Y CB 2.191 39.936 38.460 -1.191 0.000 1.259 173 Y HN 0.115 nan 8.280 nan 0.000 0.468 174 V N 2.615 122.467 119.914 -0.104 0.000 2.577 174 V HA 0.378 4.467 4.120 -0.052 0.000 0.303 174 V C -0.910 175.322 176.094 0.230 0.000 1.042 174 V CA -1.413 60.924 62.300 0.061 0.000 0.872 174 V CB 1.885 33.755 31.823 0.078 0.000 0.998 174 V HN 0.626 nan 8.190 nan 0.000 0.423 175 K N 4.599 125.135 120.400 0.226 0.000 2.240 175 K HA 0.498 4.786 4.320 -0.052 0.000 0.271 175 K C 0.363 177.100 176.600 0.229 0.000 1.018 175 K CA -0.733 55.688 56.287 0.223 0.000 0.874 175 K CB 1.923 34.513 32.500 0.150 0.000 1.098 175 K HN 0.429 nan 8.250 nan 0.000 0.458 176 I N 1.315 122.041 120.570 0.261 0.000 2.406 176 I HA -0.073 4.066 4.170 -0.052 0.000 0.249 176 I C 0.570 176.772 176.117 0.143 0.000 1.122 176 I CA 1.474 62.883 61.300 0.181 0.000 1.431 176 I CB -0.182 37.929 38.000 0.186 0.000 1.087 176 I HN 0.578 nan 8.210 nan 0.000 0.424 177 E N 0.054 120.340 120.200 0.144 0.000 2.277 177 E HA 0.286 4.604 4.350 -0.052 0.000 0.266 177 E C -1.895 174.715 176.600 0.017 0.000 0.901 177 E CA -1.957 54.511 56.400 0.113 0.000 0.782 177 E CB 1.512 31.278 29.700 0.111 0.000 1.228 177 E HN -0.121 nan 8.360 nan 0.000 0.424 178 P HA -0.102 nan 4.420 nan 0.000 0.221 178 P C 0.674 177.929 177.300 -0.076 0.000 1.150 178 P CA 1.260 64.270 63.100 -0.150 0.000 0.800 178 P CB 0.116 31.591 31.700 -0.373 0.000 0.787 179 N N -1.777 116.892 118.700 -0.051 0.000 2.280 179 N HA 0.081 4.790 4.740 -0.052 0.000 0.192 179 N C 0.303 175.806 175.510 -0.012 0.000 1.109 179 N CA -0.150 52.890 53.050 -0.015 0.000 0.855 179 N CB -0.180 38.316 38.487 0.013 0.000 0.974 179 N HN 0.060 nan 8.380 nan 0.000 0.482 180 L N 0.406 121.625 121.223 -0.007 0.000 2.387 180 L HA 0.528 4.837 4.340 -0.052 0.000 0.266 180 L C -2.196 174.645 176.870 -0.048 0.000 1.059 180 L CA -2.493 52.338 54.840 -0.015 0.000 0.801 180 L CB 0.820 42.887 42.059 0.014 0.000 1.223 180 L HN -0.118 nan 8.230 nan 0.000 0.456 181 P HA 0.030 nan 4.420 nan 0.000 0.269 181 P C -0.874 176.319 177.300 -0.180 0.000 1.209 181 P CA -0.317 62.706 63.100 -0.129 0.000 0.776 181 P CB 0.599 32.205 31.700 -0.156 0.000 0.876 182 S N 1.866 117.510 115.700 -0.094 0.000 2.584 182 S HA 0.360 4.799 4.470 -0.052 0.000 0.273 182 S C -0.706 173.842 174.600 -0.087 0.000 1.311 182 S CA -0.464 57.729 58.200 -0.011 0.000 1.034 182 S CB 0.034 63.321 63.200 0.145 0.000 0.939 182 S HN 0.247 nan 8.310 nan 0.000 0.513 183 Y N 0.821 121.148 120.300 0.045 0.000 2.350 183 Y HA 0.379 4.898 4.550 -0.052 0.000 0.340 183 Y C 0.994 176.827 175.900 -0.111 0.000 1.006 183 Y CA -0.659 57.444 58.100 0.005 0.000 1.166 183 Y CB 0.811 39.270 38.460 -0.001 0.000 1.168 183 Y HN 0.663 nan 8.280 nan 0.000 0.502 184 R N 4.218 124.676 120.500 -0.070 0.000 2.242 184 R HA 0.161 4.470 4.340 -0.052 0.000 0.334 184 R C 0.285 176.314 176.300 -0.451 0.000 1.071 184 R CA -0.127 55.616 56.100 -0.595 0.000 0.922 184 R CB 0.140 29.909 30.300 -0.885 0.000 1.023 184 R HN 0.761 nan 8.270 nan 0.000 0.458 185 I N 2.327 122.573 120.570 -0.540 0.000 2.235 185 I HA -0.084 4.054 4.170 -0.052 0.000 0.241 185 I C 1.300 177.207 176.117 -0.349 0.000 1.085 185 I CA 1.202 62.289 61.300 -0.354 0.000 1.378 185 I CB -1.079 36.666 38.000 -0.424 0.000 1.076 185 I HN 0.614 nan 8.210 nan 0.000 0.415 186 T N -3.559 110.650 114.554 -0.574 0.000 2.918 186 T HA 0.387 4.705 4.350 -0.052 0.000 0.286 186 T C -0.556 173.827 174.700 -0.528 0.000 1.026 186 T CA -0.520 61.342 62.100 -0.397 0.000 1.031 186 T CB 1.929 70.565 68.868 -0.387 0.000 1.046 186 T HN 0.238 nan 8.240 nan 0.000 0.479 187 W N 0.263 121.450 121.300 -0.187 0.000 2.284 187 W HA 0.251 4.881 4.660 -0.051 0.000 0.334 187 W C 1.776 178.239 176.519 -0.094 0.000 0.917 187 W CA -0.164 57.106 57.345 -0.124 0.000 1.621 187 W CB 0.371 29.778 29.460 -0.089 0.000 1.129 187 W HN 0.951 nan 8.180 nan 0.000 0.528 188 T N -3.366 111.221 114.554 0.053 0.000 3.001 188 T HA 0.279 4.598 4.350 -0.052 0.000 0.251 188 T C 1.274 175.964 174.700 -0.016 0.000 1.040 188 T CA 0.247 62.366 62.100 0.031 0.000 0.985 188 T CB -0.115 68.769 68.868 0.027 0.000 1.011 188 T HN -0.015 nan 8.240 nan 0.000 0.509 189 G N 1.524 110.284 108.800 -0.067 0.000 2.178 189 G HA2 0.304 4.233 3.960 -0.052 0.000 0.244 189 G HA3 0.304 4.233 3.960 -0.052 0.000 0.244 189 G C -0.584 174.247 174.900 -0.114 0.000 1.213 189 G CA -0.231 44.805 45.100 -0.107 0.000 0.912 189 G HN 0.578 nan 8.290 nan 0.000 0.474 190 K N 2.205 122.517 120.400 -0.146 0.000 2.601 190 K HA 0.173 4.462 4.320 -0.052 0.000 0.249 190 K C -0.028 176.450 176.600 -0.204 0.000 0.966 190 K CA -0.658 55.548 56.287 -0.135 0.000 0.827 190 K CB 1.411 33.867 32.500 -0.072 0.000 1.178 190 K HN 0.636 nan 8.250 nan 0.000 0.437 191 E N 3.424 123.511 120.200 -0.188 0.000 2.765 191 E HA -0.188 4.131 4.350 -0.052 0.000 0.256 191 E C -0.514 175.993 176.600 -0.154 0.000 0.935 191 E CA 1.105 57.392 56.400 -0.189 0.000 0.954 191 E CB 0.233 29.859 29.700 -0.125 0.000 0.908 191 E HN 0.690 nan 8.360 nan 0.000 0.500 192 D N 2.001 122.283 120.400 -0.196 0.000 2.554 192 D HA -0.259 4.350 4.640 -0.052 0.000 0.178 192 D C 0.682 177.017 176.300 0.057 0.000 1.054 192 D CA 1.793 55.801 54.000 0.012 0.000 1.052 192 D CB -0.930 39.926 40.800 0.094 0.000 1.112 192 D HN 0.463 nan 8.370 nan 0.000 0.448 193 I N -0.386 120.139 120.570 -0.074 0.000 2.900 193 I HA 0.063 4.202 4.170 -0.052 0.000 0.251 193 I C 0.696 176.861 176.117 0.081 0.000 1.102 193 I CA 0.396 61.726 61.300 0.051 0.000 1.457 193 I CB 0.406 38.424 38.000 0.030 0.000 1.285 193 I HN -0.088 nan 8.210 nan 0.000 0.459 194 I N 1.112 121.641 120.570 -0.069 0.000 2.382 194 I HA 0.243 4.382 4.170 -0.052 0.000 0.286 194 I C -1.353 174.719 176.117 -0.076 0.000 1.002 194 I CA -0.693 60.628 61.300 0.035 0.000 1.135 194 I CB 0.586 38.608 38.000 0.036 0.000 1.288 194 I HN 0.026 nan 8.210 nan 0.000 0.448 195 Y N 4.832 125.222 120.300 0.150 0.000 2.328 195 Y HA 0.410 4.929 4.550 -0.052 0.000 0.337 195 Y C 0.508 176.483 175.900 0.126 0.000 0.966 195 Y CA -0.725 57.464 58.100 0.147 0.000 1.136 195 Y CB 1.093 39.701 38.460 0.246 0.000 1.170 195 Y HN 0.400 nan 8.280 nan 0.000 0.470 196 N N 2.189 120.967 118.700 0.130 0.000 2.476 196 N HA 0.324 5.033 4.740 -0.052 0.000 0.257 196 N C 0.766 176.229 175.510 -0.079 0.000 0.970 196 N CA 0.399 53.459 53.050 0.017 0.000 0.938 196 N CB 1.799 40.190 38.487 -0.160 0.000 1.144 196 N HN 0.978 nan 8.380 nan 0.000 0.500 197 G N 1.712 110.499 108.800 -0.022 0.000 2.184 197 G HA2 -0.266 3.663 3.960 -0.052 0.000 0.264 197 G HA3 -0.266 3.663 3.960 -0.052 0.000 0.264 197 G C 0.115 174.852 174.900 -0.272 0.000 0.975 197 G CA 0.810 45.805 45.100 -0.175 0.000 0.642 197 G HN 0.648 nan 8.290 nan 0.000 0.536 198 I N -1.551 118.929 120.570 -0.150 0.000 2.730 198 I HA 0.788 4.927 4.170 -0.052 0.000 0.298 198 I C 0.410 176.492 176.117 -0.057 0.000 1.089 198 I CA -0.683 60.420 61.300 -0.329 0.000 1.041 198 I CB 2.009 39.647 38.000 -0.605 0.000 1.235 198 I HN 0.153 nan 8.210 nan 0.000 0.423 199 T N -0.037 114.399 114.554 -0.197 0.000 2.882 199 T HA 0.316 4.635 4.350 -0.052 0.000 0.287 199 T C -0.110 174.315 174.700 -0.459 0.000 1.014 199 T CA -0.640 61.172 62.100 -0.480 0.000 1.049 199 T CB 1.083 69.799 68.868 -0.254 0.000 1.001 199 T HN 0.785 nan 8.240 nan 0.000 0.525 200 D N 0.271 120.165 120.400 -0.845 0.000 2.478 200 D HA 0.017 4.626 4.640 -0.052 0.000 0.269 200 D C 0.984 177.204 176.300 -0.135 0.000 1.232 200 D CA -1.092 52.473 54.000 -0.725 0.000 1.059 200 D CB 0.194 40.538 40.800 -0.760 0.000 1.104 200 D HN 0.715 nan 8.370 nan 0.000 0.566 201 W N 0.297 121.551 121.300 -0.077 0.000 2.317 201 W HA -0.231 4.397 4.660 -0.053 0.000 0.318 201 W C 2.097 178.531 176.519 -0.142 0.000 1.227 201 W CA 2.394 59.697 57.345 -0.070 0.000 1.269 201 W CB -0.415 28.942 29.460 -0.173 0.000 1.155 201 W HN 0.197 nan 8.180 nan 0.000 0.484 202 V N -0.295 119.694 119.914 0.126 0.000 2.719 202 V HA -0.241 3.848 4.120 -0.052 0.000 0.252 202 V C 1.721 177.656 176.094 -0.265 0.000 1.065 202 V CA 1.761 64.028 62.300 -0.054 0.000 1.086 202 V CB -0.658 31.165 31.823 0.000 0.000 0.700 202 V HN 0.294 nan 8.190 nan 0.000 0.467 203 Y N 0.594 120.733 120.300 -0.267 0.000 2.337 203 Y HA -0.096 4.422 4.550 -0.053 0.000 0.293 203 Y C 2.533 178.333 175.900 -0.166 0.000 1.123 203 Y CA 1.948 59.904 58.100 -0.240 0.000 1.201 203 Y CB 0.065 38.261 38.460 -0.440 0.000 1.011 203 Y HN 0.386 nan 8.280 nan 0.000 0.545 204 E N 0.395 120.545 120.200 -0.084 0.000 2.028 204 E HA -0.274 4.044 4.350 -0.052 0.000 0.191 204 E C 2.025 178.574 176.600 -0.085 0.000 0.988 204 E CA 1.479 57.857 56.400 -0.036 0.000 0.799 204 E CB -0.016 29.667 29.700 -0.028 0.000 0.755 204 E HN 0.377 nan 8.360 nan 0.000 0.447 205 E N 0.290 120.240 120.200 -0.416 0.000 2.047 205 E HA -0.177 4.142 4.350 -0.052 0.000 0.191 205 E C 1.734 178.205 176.600 -0.216 0.000 0.987 205 E CA 1.704 57.848 56.400 -0.427 0.000 0.799 205 E CB 0.134 29.198 29.700 -1.060 0.000 0.752 205 E HN 0.249 nan 8.360 nan 0.000 0.449 206 E N -0.921 119.119 120.200 -0.266 0.000 2.413 206 E HA 0.085 4.404 4.350 -0.052 0.000 0.203 206 E C 1.832 178.293 176.600 -0.233 0.000 0.957 206 E CA 0.424 56.716 56.400 -0.180 0.000 0.950 206 E CB 0.880 30.467 29.700 -0.189 0.000 0.957 206 E HN 0.202 nan 8.360 nan 0.000 0.497 207 V N -0.379 119.350 119.914 -0.309 0.000 2.735 207 V HA 0.052 4.141 4.120 -0.052 0.000 0.234 207 V C 1.439 177.300 176.094 -0.389 0.000 1.121 207 V CA 0.765 62.800 62.300 -0.442 0.000 1.160 207 V CB -0.249 31.171 31.823 -0.672 0.000 0.908 207 V HN 0.023 nan 8.190 nan 0.000 0.495 208 F N 0.664 120.622 119.950 0.014 0.000 2.749 208 F HA 0.272 4.768 4.527 -0.053 0.000 0.300 208 F C 1.542 177.301 175.800 -0.067 0.000 1.103 208 F CA 0.267 58.293 58.000 0.043 0.000 1.342 208 F CB -0.205 38.873 39.000 0.131 0.000 1.098 208 F HN 0.074 nan 8.300 nan 0.000 0.586 209 S N 0.526 116.235 115.700 0.015 0.000 3.521 209 S HA -0.026 4.413 4.470 -0.052 0.000 0.362 209 S C 0.098 174.233 174.600 -0.775 0.000 1.044 209 S CA 0.428 58.498 58.200 -0.218 0.000 1.091 209 S CB -1.821 61.314 63.200 -0.109 0.000 0.908 209 S HN 0.645 nan 8.310 nan 0.000 0.473 210 A N -0.784 121.837 122.820 -0.332 0.000 2.608 210 A HA 0.678 4.966 4.320 -0.052 0.000 0.292 210 A C -0.317 177.233 177.584 -0.057 0.000 1.066 210 A CA -0.455 51.420 52.037 -0.269 0.000 0.676 210 A CB 0.330 19.190 19.000 -0.234 0.000 1.277 210 A HN 0.317 nan 8.150 nan 0.000 0.413 211 Y N 1.381 121.515 120.300 -0.276 0.000 2.365 211 Y HA 0.048 4.568 4.550 -0.051 0.000 0.293 211 Y C 1.604 177.186 175.900 -0.531 0.000 1.119 211 Y CA 1.006 58.936 58.100 -0.284 0.000 1.203 211 Y CB 0.261 38.611 38.460 -0.184 0.000 1.026 211 Y HN 0.797 nan 8.280 nan 0.000 0.549 212 S N 0.650 115.757 115.700 -0.989 0.000 2.565 212 S HA 0.480 4.919 4.470 -0.052 0.000 0.276 212 S C 0.025 174.043 174.600 -0.971 0.000 1.326 212 S CA -0.231 57.183 58.200 -1.310 0.000 1.045 212 S CB 1.646 63.548 63.200 -2.163 0.000 0.918 212 S HN 0.345 nan 8.310 nan 0.000 0.505 213 A N 3.691 125.970 122.820 -0.902 0.000 2.956 213 A HA 0.552 4.840 4.320 -0.052 0.000 0.294 213 A C -0.352 176.486 177.584 -1.242 0.000 0.993 213 A CA -0.612 50.781 52.037 -1.073 0.000 1.032 213 A CB -0.172 18.722 19.000 -0.177 0.000 1.129 213 A HN 0.817 nan 8.150 nan 0.000 0.505 214 L N 0.825 121.223 121.223 -1.374 0.000 2.356 214 L HA 0.545 4.854 4.340 -0.052 0.000 0.277 214 L C -1.142 175.249 176.870 -0.799 0.000 0.996 214 L CA -0.483 53.886 54.840 -0.785 0.000 0.822 214 L CB 1.665 43.476 42.059 -0.412 0.000 1.256 214 L HN 0.488 nan 8.230 nan 0.000 0.413 215 W N 2.868 124.189 121.300 0.035 0.000 2.543 215 W HA 0.237 4.866 4.660 -0.052 0.000 0.318 215 W C -0.981 175.731 176.519 0.322 0.000 1.002 215 W CA -1.071 56.419 57.345 0.243 0.000 1.302 215 W CB 1.349 31.017 29.460 0.347 0.000 1.299 215 W HN 0.484 nan 8.180 nan 0.000 0.424 216 W N 2.426 123.916 121.300 0.317 0.000 2.190 216 W HA 0.207 4.835 4.660 -0.053 0.000 0.330 216 W C 1.290 177.579 176.519 -0.384 0.000 1.299 216 W CA 0.323 57.705 57.345 0.061 0.000 1.215 216 W CB 0.794 30.271 29.460 0.029 0.000 1.147 216 W HN 0.184 nan 8.180 nan 0.000 0.563 217 S N 2.665 118.035 115.700 -0.551 0.000 2.584 217 S HA 0.129 4.568 4.470 -0.052 0.000 0.270 217 S C -1.759 172.564 174.600 -0.462 0.000 1.346 217 S CA -0.990 56.361 58.200 -1.414 0.000 1.018 217 S CB 0.924 63.433 63.200 -1.151 0.000 0.899 217 S HN 0.291 nan 8.310 nan 0.000 0.542 218 P HA -0.164 nan 4.420 nan 0.000 0.216 218 P C 0.856 178.118 177.300 -0.063 0.000 1.154 218 P CA 1.663 64.721 63.100 -0.070 0.000 0.865 218 P CB -0.206 31.502 31.700 0.014 0.000 0.789 219 N N -2.093 116.556 118.700 -0.085 0.000 2.235 219 N HA 0.143 4.851 4.740 -0.052 0.000 0.209 219 N C 1.061 176.493 175.510 -0.129 0.000 1.122 219 N CA 0.395 53.392 53.050 -0.088 0.000 0.845 219 N CB -0.663 37.788 38.487 -0.060 0.000 1.004 219 N HN 0.166 nan 8.380 nan 0.000 0.499 220 G N -0.877 107.854 108.800 -0.115 0.000 2.179 220 G HA2 -0.346 3.583 3.960 -0.052 0.000 0.260 220 G HA3 -0.346 3.583 3.960 -0.052 0.000 0.260 220 G C 0.972 175.907 174.900 0.058 0.000 0.977 220 G CA 0.767 45.819 45.100 -0.080 0.000 0.641 220 G HN 0.378 nan 8.290 nan 0.000 0.533 221 T N -0.000 114.491 114.554 -0.105 0.000 2.708 221 T HA 0.171 4.490 4.350 -0.052 0.000 0.266 221 T C 0.834 175.333 174.700 -0.335 0.000 1.037 221 T CA 1.381 63.297 62.100 -0.307 0.000 1.146 221 T CB -0.090 68.436 68.868 -0.570 0.000 0.865 221 T HN 0.307 nan 8.240 nan 0.000 0.435 222 F N 0.284 120.265 119.950 0.052 0.000 2.458 222 F HA 0.624 5.119 4.527 -0.052 0.000 0.330 222 F C -0.231 175.612 175.800 0.072 0.000 1.082 222 F CA -1.718 56.343 58.000 0.101 0.000 0.995 222 F CB 1.226 40.363 39.000 0.228 0.000 1.170 222 F HN -0.124 nan 8.300 nan 0.000 0.478 223 L N 2.988 124.330 121.223 0.199 0.000 2.388 223 L HA 0.764 5.073 4.340 -0.052 0.000 0.267 223 L C -0.541 176.397 176.870 0.113 0.000 0.995 223 L CA -0.503 54.266 54.840 -0.119 0.000 0.864 223 L CB 0.533 42.222 42.059 -0.617 0.000 1.216 223 L HN 0.659 nan 8.230 nan 0.000 0.430 224 A N 4.727 127.711 122.820 0.274 0.000 2.327 224 A HA 0.674 4.963 4.320 -0.052 0.000 0.283 224 A C -1.172 176.496 177.584 0.140 0.000 1.127 224 A CA -0.115 51.986 52.037 0.105 0.000 0.810 224 A CB 0.238 19.398 19.000 0.268 0.000 1.066 224 A HN 0.873 nan 8.150 nan 0.000 0.492 225 Y N -1.298 118.789 120.300 -0.356 0.000 2.597 225 Y HA 0.754 5.273 4.550 -0.052 0.000 0.340 225 Y C -0.290 175.423 175.900 -0.312 0.000 1.097 225 Y CA -0.905 57.076 58.100 -0.200 0.000 1.037 225 Y CB 0.918 39.242 38.460 -0.228 0.000 1.305 225 Y HN 0.880 nan 8.280 nan 0.000 0.463 226 A N 2.243 125.120 122.820 0.095 0.000 2.311 226 A HA 0.686 4.975 4.320 -0.052 0.000 0.334 226 A C -1.168 176.317 177.584 -0.165 0.000 1.139 226 A CA -0.849 51.115 52.037 -0.121 0.000 0.830 226 A CB 1.693 20.616 19.000 -0.129 0.000 1.234 226 A HN 0.814 nan 8.150 nan 0.000 0.483 227 Q N 1.223 120.824 119.800 -0.331 0.000 2.290 227 Q HA 0.557 4.866 4.340 -0.052 0.000 0.269 227 Q C -2.028 173.775 176.000 -0.329 0.000 1.016 227 Q CA -0.312 55.419 55.803 -0.120 0.000 0.754 227 Q CB 0.967 29.863 28.738 0.262 0.000 1.247 227 Q HN 0.608 nan 8.270 nan 0.000 0.451 228 F N 2.112 122.152 119.950 0.150 0.000 2.425 228 F HA 0.459 4.955 4.527 -0.051 0.000 0.331 228 F C 0.587 176.532 175.800 0.242 0.000 1.085 228 F CA -0.839 57.230 58.000 0.114 0.000 1.028 228 F CB 1.189 40.161 39.000 -0.046 0.000 1.177 228 F HN 0.428 nan 8.300 nan 0.000 0.487 229 N N 1.451 120.373 118.700 0.371 0.000 2.491 229 N HA 0.229 4.938 4.740 -0.052 0.000 0.274 229 N C -1.121 174.562 175.510 0.289 0.000 1.023 229 N CA -0.378 52.850 53.050 0.296 0.000 0.902 229 N CB 1.145 39.750 38.487 0.198 0.000 1.267 229 N HN 0.552 nan 8.380 nan 0.000 0.503 230 D N 1.134 121.726 120.400 0.319 0.000 2.402 230 D HA 0.127 4.735 4.640 -0.052 0.000 0.216 230 D C 1.181 177.600 176.300 0.197 0.000 1.128 230 D CA 0.159 54.327 54.000 0.280 0.000 0.833 230 D CB 0.609 41.636 40.800 0.379 0.000 0.971 230 D HN 0.483 nan 8.370 nan 0.000 0.503 231 T N 0.284 114.933 114.554 0.159 0.000 2.649 231 T HA -0.233 4.086 4.350 -0.052 0.000 0.268 231 T C 1.336 176.094 174.700 0.098 0.000 1.036 231 T CA 1.327 63.494 62.100 0.112 0.000 1.157 231 T CB -0.082 68.840 68.868 0.090 0.000 0.861 231 T HN 0.297 nan 8.240 nan 0.000 0.445 232 E N 0.354 120.614 120.200 0.098 0.000 2.499 232 E HA 0.204 4.523 4.350 -0.052 0.000 0.199 232 E C -0.613 176.041 176.600 0.090 0.000 1.016 232 E CA -0.248 56.200 56.400 0.081 0.000 0.933 232 E CB 0.622 30.362 29.700 0.066 0.000 1.050 232 E HN 0.207 nan 8.360 nan 0.000 0.462 233 V N 3.568 123.551 119.914 0.114 0.000 2.508 233 V HA 0.110 4.198 4.120 -0.052 0.000 0.281 233 V C -2.012 174.147 176.094 0.108 0.000 1.041 233 V CA -1.512 60.861 62.300 0.122 0.000 1.016 233 V CB 0.345 32.261 31.823 0.156 0.000 0.984 233 V HN 0.067 nan 8.190 nan 0.000 0.478 234 P HA 0.268 nan 4.420 nan 0.000 0.272 234 P C -0.756 176.589 177.300 0.075 0.000 1.230 234 P CA -0.323 62.821 63.100 0.073 0.000 0.788 234 P CB 0.507 32.247 31.700 0.066 0.000 0.949 235 L N 2.263 123.508 121.223 0.036 0.000 2.275 235 L HA 0.386 4.695 4.340 -0.052 0.000 0.288 235 L C 0.531 177.363 176.870 -0.063 0.000 1.046 235 L CA -0.989 53.856 54.840 0.008 0.000 0.805 235 L CB 0.714 42.771 42.059 -0.003 0.000 1.193 235 L HN 0.301 nan 8.230 nan 0.000 0.426 236 I N 3.141 123.626 120.570 -0.142 0.000 2.529 236 I HA 0.130 4.269 4.170 -0.052 0.000 0.284 236 I C -0.103 175.881 176.117 -0.223 0.000 1.082 236 I CA 0.450 61.559 61.300 -0.319 0.000 1.406 236 I CB 0.498 38.004 38.000 -0.823 0.000 1.405 236 I HN 0.590 nan 8.210 nan 0.000 0.548 237 E N 7.253 127.341 120.200 -0.185 0.000 2.248 237 E HA 0.507 4.825 4.350 -0.052 0.000 0.267 237 E C -1.765 174.794 176.600 -0.068 0.000 0.877 237 E CA -0.599 55.698 56.400 -0.172 0.000 0.759 237 E CB 2.058 31.677 29.700 -0.135 0.000 1.182 237 E HN 0.563 nan 8.360 nan 0.000 0.418 238 Y N -1.813 118.398 120.300 -0.147 0.000 2.609 238 Y HA 0.530 5.048 4.550 -0.052 0.000 0.336 238 Y C -0.710 175.117 175.900 -0.122 0.000 1.129 238 Y CA -1.274 56.747 58.100 -0.131 0.000 1.040 238 Y CB 0.883 39.272 38.460 -0.119 0.000 1.310 238 Y HN 0.190 nan 8.280 nan 0.000 0.460 239 S N 1.986 117.664 115.700 -0.036 0.000 2.548 239 S HA 0.403 4.841 4.470 -0.052 0.000 0.277 239 S C -1.309 173.096 174.600 -0.325 0.000 1.315 239 S CA -0.368 57.648 58.200 -0.306 0.000 1.050 239 S CB 0.149 63.022 63.200 -0.545 0.000 0.918 239 S HN 0.527 nan 8.310 nan 0.000 0.497 240 F N 2.816 122.492 119.950 -0.456 0.000 2.449 240 F HA 0.403 4.898 4.527 -0.054 0.000 0.342 240 F C -0.036 175.536 175.800 -0.380 0.000 1.127 240 F CA -0.724 57.096 58.000 -0.299 0.000 0.975 240 F CB 0.739 39.688 39.000 -0.085 0.000 1.146 240 F HN 0.681 nan 8.300 nan 0.000 0.444 241 Y N 2.639 122.731 120.300 -0.347 0.000 2.397 241 Y HA 0.099 4.618 4.550 -0.053 0.000 0.292 241 Y C 1.656 177.490 175.900 -0.110 0.000 1.115 241 Y CA 1.041 59.032 58.100 -0.182 0.000 1.208 241 Y CB -0.456 37.884 38.460 -0.200 0.000 1.046 241 Y HN 0.725 nan 8.280 nan 0.000 0.552 242 S N -0.131 115.495 115.700 -0.123 0.000 3.633 242 S HA -0.302 4.137 4.470 -0.052 0.000 0.637 242 S C -0.230 174.426 174.600 0.093 0.000 2.289 242 S CA 0.071 58.354 58.200 0.138 0.000 2.476 242 S CB -1.412 61.962 63.200 0.290 0.000 0.330 242 S HN 0.613 nan 8.310 nan 0.000 1.787 243 D N 1.304 121.778 120.400 0.124 0.000 2.419 243 D HA 0.174 4.783 4.640 -0.052 0.000 0.236 243 D C 1.589 177.927 176.300 0.062 0.000 1.165 243 D CA 0.874 54.923 54.000 0.082 0.000 0.882 243 D CB 0.436 41.286 40.800 0.083 0.000 1.201 243 D HN 0.618 nan 8.370 nan 0.000 0.443 244 E N 0.862 121.085 120.200 0.039 0.000 2.401 244 E HA -0.208 4.111 4.350 -0.052 0.000 0.199 244 E C 1.170 177.783 176.600 0.023 0.000 1.023 244 E CA 1.040 57.454 56.400 0.023 0.000 0.859 244 E CB -0.192 29.511 29.700 0.006 0.000 0.780 244 E HN 0.376 nan 8.360 nan 0.000 0.523 245 S N 0.401 116.122 115.700 0.034 0.000 2.522 245 S HA 0.005 4.444 4.470 -0.052 0.000 0.227 245 S C 1.056 175.680 174.600 0.041 0.000 0.986 245 S CA -0.270 57.950 58.200 0.032 0.000 0.929 245 S CB -0.213 63.008 63.200 0.035 0.000 0.769 245 S HN 0.322 nan 8.310 nan 0.000 0.529 246 L N 2.453 123.710 121.223 0.057 0.000 2.433 246 L HA 0.167 4.475 4.340 -0.052 0.000 0.275 246 L C 1.581 178.480 176.870 0.048 0.000 1.128 246 L CA -0.030 54.854 54.840 0.074 0.000 0.875 246 L CB 1.008 43.129 42.059 0.102 0.000 1.171 246 L HN 0.435 nan 8.230 nan 0.000 0.463 247 Q N 4.098 123.924 119.800 0.043 0.000 2.079 247 Q HA -0.108 4.201 4.340 -0.052 0.000 0.200 247 Q C -0.571 175.314 176.000 -0.193 0.000 0.974 247 Q CA 1.393 57.157 55.803 -0.065 0.000 0.840 247 Q CB 0.195 28.910 28.738 -0.038 0.000 0.898 247 Q HN 0.594 nan 8.270 nan 0.000 0.430 248 Y N 1.212 121.527 120.300 0.025 0.000 2.335 248 Y HA 0.363 4.882 4.550 -0.052 0.000 0.338 248 Y C -1.970 173.942 175.900 0.020 0.000 0.977 248 Y CA -2.928 55.184 58.100 0.019 0.000 1.114 248 Y CB 1.233 39.696 38.460 0.005 0.000 1.182 248 Y HN 0.198 nan 8.280 nan 0.000 0.463 249 P HA -0.004 nan 4.420 nan 0.000 0.268 249 P C -0.791 176.527 177.300 0.031 0.000 1.208 249 P CA -0.325 62.803 63.100 0.046 0.000 0.777 249 P CB 1.092 32.763 31.700 -0.048 0.000 0.875 250 K N 0.595 120.996 120.400 0.002 0.000 2.118 250 K HA 0.334 4.623 4.320 -0.052 0.000 0.267 250 K C -0.601 175.953 176.600 -0.077 0.000 0.991 250 K CA -0.401 55.883 56.287 -0.004 0.000 0.916 250 K CB 0.548 33.077 32.500 0.048 0.000 1.041 250 K HN 0.313 nan 8.250 nan 0.000 0.455 251 T N 3.047 117.540 114.554 -0.101 0.000 2.770 251 T HA 0.222 4.541 4.350 -0.052 0.000 0.297 251 T C -0.570 173.998 174.700 -0.220 0.000 0.997 251 T CA -0.655 61.346 62.100 -0.165 0.000 0.949 251 T CB 0.955 69.745 68.868 -0.131 0.000 0.941 251 T HN 0.280 nan 8.240 nan 0.000 0.457 252 V N 5.274 124.956 119.914 -0.387 0.000 2.530 252 V HA 0.377 4.466 4.120 -0.052 0.000 0.282 252 V C 0.510 176.338 176.094 -0.445 0.000 1.048 252 V CA -0.410 61.618 62.300 -0.454 0.000 0.997 252 V CB 0.691 32.096 31.823 -0.697 0.000 0.987 252 V HN 0.710 nan 8.190 nan 0.000 0.477 253 R N 3.484 123.858 120.500 -0.211 0.000 2.409 253 R HA 0.689 4.998 4.340 -0.052 0.000 0.313 253 R C -1.602 174.692 176.300 -0.010 0.000 0.953 253 R CA -0.507 55.518 56.100 -0.125 0.000 0.849 253 R CB 2.089 32.344 30.300 -0.075 0.000 1.171 253 R HN 0.526 nan 8.270 nan 0.000 0.458 254 V N 4.425 124.337 119.914 -0.005 0.000 2.531 254 V HA 0.337 4.425 4.120 -0.052 0.000 0.301 254 V C -2.336 173.822 176.094 0.106 0.000 1.034 254 V CA -2.503 59.859 62.300 0.104 0.000 0.865 254 V CB 2.110 33.959 31.823 0.044 0.000 0.995 254 V HN 0.605 nan 8.190 nan 0.000 0.424 255 P HA 0.146 nan 4.420 nan 0.000 0.264 255 P C -1.248 176.180 177.300 0.212 0.000 1.229 255 P CA 0.471 63.692 63.100 0.201 0.000 0.780 255 P CB -0.274 31.588 31.700 0.269 0.000 0.808 256 Y N 6.265 126.561 120.300 -0.007 0.000 2.301 256 Y HA 0.368 4.886 4.550 -0.053 0.000 0.325 256 Y C -2.702 173.183 175.900 -0.025 0.000 1.103 256 Y CA -2.786 55.261 58.100 -0.088 0.000 1.182 256 Y CB 2.053 40.330 38.460 -0.305 0.000 1.139 256 Y HN 0.287 nan 8.280 nan 0.000 0.443 257 P HA 0.230 nan 4.420 nan 0.000 0.287 257 P C -1.174 176.191 177.300 0.109 0.000 1.307 257 P CA -0.188 62.970 63.100 0.096 0.000 0.777 257 P CB 1.436 33.177 31.700 0.068 0.000 0.883 258 K N 2.020 122.554 120.400 0.225 0.000 2.107 258 K HA 0.512 4.801 4.320 -0.052 0.000 0.251 258 K C 0.516 177.222 176.600 0.177 0.000 1.012 258 K CA -0.745 55.691 56.287 0.249 0.000 0.920 258 K CB 0.652 33.317 32.500 0.275 0.000 1.033 258 K HN 0.462 nan 8.250 nan 0.000 0.478 259 A N 0.941 123.892 122.820 0.218 0.000 2.591 259 A HA 0.202 4.491 4.320 -0.052 0.000 0.244 259 A C 1.273 178.904 177.584 0.078 0.000 1.031 259 A CA 1.169 53.325 52.037 0.198 0.000 0.767 259 A CB -1.222 17.990 19.000 0.353 0.000 0.942 259 A HN 0.942 nan 8.150 nan 0.000 0.514 260 G N 0.998 109.830 108.800 0.055 0.000 2.205 260 G HA2 0.086 4.015 3.960 -0.052 0.000 0.261 260 G HA3 0.086 4.015 3.960 -0.052 0.000 0.261 260 G C 0.759 175.675 174.900 0.027 0.000 0.980 260 G CA 0.915 46.019 45.100 0.006 0.000 0.632 260 G HN 2.264 nan 8.290 nan 0.000 0.533 261 A N -0.309 122.546 122.820 0.058 0.000 2.310 261 A HA 0.684 4.972 4.320 -0.052 0.000 0.260 261 A C 0.915 178.537 177.584 0.062 0.000 1.112 261 A CA 0.405 52.481 52.037 0.064 0.000 0.804 261 A CB 0.511 19.566 19.000 0.091 0.000 1.081 261 A HN 1.164 nan 8.150 nan 0.000 0.499 262 V N 2.514 122.466 119.914 0.063 0.000 2.485 262 V HA 0.012 4.101 4.120 -0.052 0.000 0.287 262 V C 0.387 176.532 176.094 0.086 0.000 1.022 262 V CA -0.048 62.290 62.300 0.064 0.000 1.067 262 V CB -0.360 31.500 31.823 0.061 0.000 0.967 262 V HN 0.785 nan 8.190 nan 0.000 0.479 263 N N 6.735 125.484 118.700 0.082 0.000 2.493 263 N HA 0.412 5.120 4.740 -0.052 0.000 0.275 263 N C -2.345 173.254 175.510 0.148 0.000 1.186 263 N CA -1.492 51.630 53.050 0.121 0.000 0.978 263 N CB 0.898 39.447 38.487 0.104 0.000 1.184 263 N HN 0.386 nan 8.380 nan 0.000 0.487 264 P HA 0.064 nan 4.420 nan 0.000 0.271 264 P C -0.388 177.064 177.300 0.253 0.000 1.218 264 P CA -0.134 63.131 63.100 0.275 0.000 0.780 264 P CB 0.240 32.169 31.700 0.381 0.000 0.901 265 T N -0.984 113.690 114.554 0.199 0.000 2.927 265 T HA 0.538 4.857 4.350 -0.052 0.000 0.281 265 T C -0.218 174.585 174.700 0.171 0.000 0.998 265 T CA -0.805 61.370 62.100 0.124 0.000 1.019 265 T CB 1.407 70.321 68.868 0.076 0.000 1.061 265 T HN 0.313 nan 8.240 nan 0.000 0.518 266 V N 0.919 120.907 119.914 0.124 0.000 2.760 266 V HA 0.667 4.756 4.120 -0.052 0.000 0.309 266 V C -1.362 174.802 176.094 0.116 0.000 1.077 266 V CA -0.816 61.513 62.300 0.048 0.000 0.910 266 V CB 1.925 33.791 31.823 0.072 0.000 1.008 266 V HN 1.033 nan 8.190 nan 0.000 0.424 267 K N 5.111 125.503 120.400 -0.014 0.000 2.328 267 K HA 0.607 4.895 4.320 -0.052 0.000 0.246 267 K C -1.769 174.682 176.600 -0.248 0.000 0.955 267 K CA -0.536 55.699 56.287 -0.087 0.000 0.817 267 K CB 2.832 35.271 32.500 -0.102 0.000 1.208 267 K HN 0.561 nan 8.250 nan 0.000 0.432 268 F N 2.143 121.718 119.950 -0.625 0.000 2.520 268 F HA 0.570 5.065 4.527 -0.053 0.000 0.322 268 F C -1.436 173.737 175.800 -1.045 0.000 1.103 268 F CA -0.665 56.955 58.000 -0.633 0.000 0.926 268 F CB 0.924 39.729 39.000 -0.325 0.000 1.154 268 F HN 0.398 nan 8.300 nan 0.000 0.453 269 F N 3.507 122.728 119.950 -1.214 0.000 2.629 269 F HA 0.777 5.273 4.527 -0.052 0.000 0.316 269 F C -1.025 174.184 175.800 -0.986 0.000 1.081 269 F CA -1.235 56.184 58.000 -0.969 0.000 0.954 269 F CB 2.103 40.436 39.000 -1.113 0.000 1.337 269 F HN 0.120 nan 8.300 nan 0.000 0.474 270 V N 2.279 122.021 119.914 -0.287 0.000 2.612 270 V HA 0.495 4.584 4.120 -0.052 0.000 0.301 270 V C -1.193 174.998 176.094 0.163 0.000 1.059 270 V CA -0.776 61.425 62.300 -0.164 0.000 0.886 270 V CB 1.828 33.321 31.823 -0.550 0.000 1.007 270 V HN 0.617 nan 8.190 nan 0.000 0.426 271 V N 4.542 124.607 119.914 0.251 0.000 2.513 271 V HA 0.573 4.662 4.120 -0.052 0.000 0.299 271 V C -0.120 176.187 176.094 0.356 0.000 1.035 271 V CA -0.522 61.947 62.300 0.281 0.000 0.889 271 V CB 1.991 33.919 31.823 0.175 0.000 0.988 271 V HN 0.926 nan 8.190 nan 0.000 0.440 272 N N 3.778 122.688 118.700 0.350 0.000 2.401 272 N HA 0.118 4.827 4.740 -0.052 0.000 0.255 272 N C 1.115 176.639 175.510 0.022 0.000 1.110 272 N CA 0.592 53.753 53.050 0.185 0.000 0.949 272 N CB 1.677 40.266 38.487 0.170 0.000 1.110 272 N HN 0.898 nan 8.380 nan 0.000 0.490 273 T N 0.018 114.560 114.554 -0.019 0.000 3.023 273 T HA -0.035 4.284 4.350 -0.052 0.000 0.266 273 T C 0.873 175.514 174.700 -0.099 0.000 1.093 273 T CA 0.701 62.781 62.100 -0.034 0.000 1.129 273 T CB 0.115 69.052 68.868 0.115 0.000 0.899 273 T HN 0.276 nan 8.240 nan 0.000 0.491 274 D N 2.319 122.649 120.400 -0.118 0.000 2.219 274 D HA -0.028 4.581 4.640 -0.052 0.000 0.205 274 D C 1.962 178.203 176.300 -0.098 0.000 0.970 274 D CA 1.414 55.344 54.000 -0.117 0.000 0.851 274 D CB -0.205 40.510 40.800 -0.142 0.000 0.943 274 D HN 0.665 nan 8.370 nan 0.000 0.488 275 S N -0.253 115.399 115.700 -0.081 0.000 2.583 275 S HA 0.173 4.612 4.470 -0.052 0.000 0.239 275 S C 0.500 175.059 174.600 -0.070 0.000 0.966 275 S CA -0.617 57.557 58.200 -0.045 0.000 0.973 275 S CB 0.106 63.314 63.200 0.013 0.000 0.794 275 S HN -0.109 nan 8.310 nan 0.000 0.463 276 L N 3.619 124.734 121.223 -0.180 0.000 2.483 276 L HA 0.425 4.733 4.340 -0.052 0.000 0.276 276 L C 0.693 177.444 176.870 -0.198 0.000 1.213 276 L CA 0.493 55.149 54.840 -0.306 0.000 0.843 276 L CB 0.518 42.101 42.059 -0.793 0.000 1.107 276 L HN 0.584 nan 8.230 nan 0.000 0.487 277 S N -0.597 115.102 115.700 -0.001 0.000 2.569 277 S HA 0.518 4.957 4.470 -0.052 0.000 0.280 277 S C 0.155 174.972 174.600 0.361 0.000 1.111 277 S CA -0.092 58.215 58.200 0.177 0.000 0.887 277 S CB 1.660 64.925 63.200 0.108 0.000 1.095 277 S HN 0.511 nan 8.310 nan 0.000 0.476 278 S N 0.974 116.879 115.700 0.342 0.000 2.660 278 S HA 0.228 4.666 4.470 -0.052 0.000 0.227 278 S C 0.719 175.400 174.600 0.135 0.000 0.948 278 S CA -0.109 58.221 58.200 0.216 0.000 0.948 278 S CB -0.141 63.107 63.200 0.080 0.000 0.779 278 S HN 0.605 nan 8.310 nan 0.000 0.487 279 V N 1.295 121.287 119.914 0.130 0.000 3.307 279 V HA 0.221 4.310 4.120 -0.052 0.000 0.244 279 V C 1.127 177.265 176.094 0.074 0.000 1.196 279 V CA 1.213 63.564 62.300 0.085 0.000 1.132 279 V CB 0.551 32.415 31.823 0.069 0.000 0.875 279 V HN 0.768 nan 8.190 nan 0.000 0.468 280 T N -1.495 113.112 114.554 0.089 0.000 2.908 280 T HA 0.452 4.771 4.350 -0.052 0.000 0.290 280 T C -0.379 174.383 174.700 0.103 0.000 1.034 280 T CA -0.677 61.464 62.100 0.069 0.000 1.010 280 T CB 1.732 70.632 68.868 0.052 0.000 1.068 280 T HN 0.038 nan 8.240 nan 0.000 0.481 281 N N 1.415 120.160 118.700 0.076 0.000 2.407 281 N HA 0.361 5.070 4.740 -0.052 0.000 0.250 281 N C 0.391 175.977 175.510 0.126 0.000 1.236 281 N CA 0.048 53.177 53.050 0.133 0.000 0.879 281 N CB 0.563 39.064 38.487 0.023 0.000 1.088 281 N HN 1.009 nan 8.380 nan 0.000 0.450 282 A N 1.340 124.254 122.820 0.157 0.000 2.498 282 A HA 0.150 4.439 4.320 -0.052 0.000 0.239 282 A C 0.650 178.287 177.584 0.089 0.000 1.068 282 A CA 0.062 52.158 52.037 0.098 0.000 0.766 282 A CB 0.007 19.044 19.000 0.061 0.000 1.003 282 A HN 0.544 nan 8.150 nan 0.000 0.497 283 T N 1.982 116.590 114.554 0.090 0.000 2.753 283 T HA 0.478 4.797 4.350 -0.052 0.000 0.297 283 T C -0.137 174.645 174.700 0.138 0.000 0.981 283 T CA -0.373 61.790 62.100 0.104 0.000 0.956 283 T CB -0.338 68.596 68.868 0.110 0.000 0.936 283 T HN 0.553 nan 8.240 nan 0.000 0.463 284 S N 6.171 121.944 115.700 0.121 0.000 2.457 284 S HA 0.491 4.930 4.470 -0.052 0.000 0.289 284 S C -0.027 174.720 174.600 0.245 0.000 1.163 284 S CA -0.884 57.414 58.200 0.163 0.000 1.078 284 S CB 0.468 63.698 63.200 0.050 0.000 0.987 284 S HN 0.648 nan 8.310 nan 0.000 0.482 285 I N 3.293 124.031 120.570 0.279 0.000 2.312 285 I HA 0.232 4.371 4.170 -0.052 0.000 0.291 285 I C 0.625 176.874 176.117 0.221 0.000 1.031 285 I CA -0.269 61.202 61.300 0.285 0.000 1.293 285 I CB 0.727 38.965 38.000 0.397 0.000 1.403 285 I HN 0.709 nan 8.210 nan 0.000 0.484 286 Q N 6.180 126.098 119.800 0.196 0.000 2.332 286 Q HA 0.374 4.683 4.340 -0.052 0.000 0.263 286 Q C -0.948 175.011 176.000 -0.069 0.000 0.979 286 Q CA -0.121 55.626 55.803 -0.094 0.000 0.885 286 Q CB 0.941 29.611 28.738 -0.113 0.000 1.218 286 Q HN 0.540 nan 8.270 nan 0.000 0.405 287 I N 4.257 124.756 120.570 -0.118 0.000 2.354 287 I HA 0.206 4.345 4.170 -0.052 0.000 0.286 287 I C 0.209 176.303 176.117 -0.037 0.000 1.007 287 I CA -0.683 60.611 61.300 -0.010 0.000 1.167 287 I CB 1.533 39.570 38.000 0.060 0.000 1.320 287 I HN 0.686 nan 8.210 nan 0.000 0.458 288 T N 3.013 117.509 114.554 -0.097 0.000 2.882 288 T HA 0.643 4.962 4.350 -0.052 0.000 0.287 288 T C 0.372 174.850 174.700 -0.369 0.000 1.014 288 T CA -0.854 61.127 62.100 -0.197 0.000 1.049 288 T CB 1.556 70.314 68.868 -0.184 0.000 1.001 288 T HN 0.582 nan 8.240 nan 0.000 0.525 289 A N 3.188 125.546 122.820 -0.770 0.000 2.386 289 A HA 0.551 4.840 4.320 -0.052 0.000 0.248 289 A C -1.927 175.174 177.584 -0.805 0.000 1.082 289 A CA -1.525 49.648 52.037 -1.441 0.000 0.789 289 A CB -0.732 16.982 19.000 -2.142 0.000 1.025 289 A HN 0.792 nan 8.150 nan 0.000 0.490 290 P HA 0.130 nan 4.420 nan 0.000 0.269 290 P C 0.740 177.831 177.300 -0.348 0.000 1.209 290 P CA 0.606 63.477 63.100 -0.381 0.000 0.776 290 P CB 0.761 32.304 31.700 -0.262 0.000 0.876 291 A N 3.042 125.724 122.820 -0.230 0.000 1.986 291 A HA -0.220 4.069 4.320 -0.052 0.000 0.220 291 A C 2.216 179.699 177.584 -0.169 0.000 1.171 291 A CA 2.391 54.315 52.037 -0.188 0.000 0.640 291 A CB -1.697 17.227 19.000 -0.127 0.000 0.811 291 A HN 0.670 nan 8.150 nan 0.000 0.451 292 S N -1.567 114.054 115.700 -0.133 0.000 2.500 292 S HA -0.079 4.360 4.470 -0.052 0.000 0.239 292 S C 1.686 176.225 174.600 -0.102 0.000 0.989 292 S CA 1.536 59.688 58.200 -0.081 0.000 0.951 292 S CB -0.285 62.935 63.200 0.033 0.000 0.759 292 S HN 0.427 nan 8.310 nan 0.000 0.523 293 M N 0.364 119.830 119.600 -0.224 0.000 2.691 293 M HA 0.378 4.827 4.480 -0.052 0.000 0.261 293 M C 1.890 177.930 176.300 -0.434 0.000 1.227 293 M CA 0.574 55.681 55.300 -0.322 0.000 1.197 293 M CB -0.987 31.292 32.600 -0.534 0.000 1.294 293 M HN 0.309 nan 8.290 nan 0.000 0.508 294 L N 0.198 121.139 121.223 -0.470 0.000 2.549 294 L HA -0.140 4.169 4.340 -0.052 0.000 0.229 294 L C 2.244 179.052 176.870 -0.104 0.000 1.158 294 L CA 0.245 54.903 54.840 -0.303 0.000 0.842 294 L CB -0.569 41.330 42.059 -0.268 0.000 0.952 294 L HN 0.168 nan 8.230 nan 0.000 0.452 295 I N -0.557 119.951 120.570 -0.104 0.000 2.493 295 I HA -0.013 4.126 4.170 -0.052 0.000 0.254 295 I C 1.155 177.259 176.117 -0.020 0.000 1.160 295 I CA 0.687 61.951 61.300 -0.061 0.000 1.445 295 I CB -0.120 37.835 38.000 -0.076 0.000 1.086 295 I HN 0.118 nan 8.210 nan 0.000 0.433 296 G N -1.602 107.208 108.800 0.016 0.000 2.749 296 G HA2 0.279 4.207 3.960 -0.052 0.000 0.300 296 G HA3 0.279 4.207 3.960 -0.052 0.000 0.300 296 G C -1.540 173.423 174.900 0.104 0.000 1.352 296 G CA -0.669 44.452 45.100 0.035 0.000 0.789 296 G HN -0.102 nan 8.290 nan 0.000 0.509 297 D N 1.302 121.707 120.400 0.010 0.000 2.525 297 D HA 0.338 4.946 4.640 -0.052 0.000 0.235 297 D C 0.466 176.699 176.300 -0.111 0.000 1.137 297 D CA 0.913 54.850 54.000 -0.104 0.000 0.868 297 D CB 0.269 40.982 40.800 -0.145 0.000 1.180 297 D HN 0.534 nan 8.370 nan 0.000 0.465 298 H N -0.544 118.389 119.070 -0.229 0.000 2.960 298 H HA 0.477 5.002 4.556 -0.052 0.000 0.323 298 H C -1.302 173.884 175.328 -0.236 0.000 1.326 298 H CA -0.845 55.084 56.048 -0.199 0.000 1.124 298 H CB 0.426 30.198 29.762 0.017 0.000 1.853 298 H HN 0.298 nan 8.280 nan 0.000 0.536 299 Y N -0.061 120.488 120.300 0.415 0.000 2.545 299 Y HA 0.397 4.916 4.550 -0.051 0.000 0.348 299 Y C -0.373 175.792 175.900 0.442 0.000 1.002 299 Y CA -1.159 57.182 58.100 0.402 0.000 1.039 299 Y CB 1.978 40.519 38.460 0.135 0.000 1.271 299 Y HN 0.469 nan 8.280 nan 0.000 0.467 300 L N 2.781 124.283 121.223 0.465 0.000 2.265 300 L HA 0.370 4.679 4.340 -0.052 0.000 0.288 300 L C 0.417 177.288 176.870 0.002 0.000 1.058 300 L CA -0.129 54.604 54.840 -0.179 0.000 0.809 300 L CB 0.402 42.223 42.059 -0.397 0.000 1.179 300 L HN 1.023 nan 8.230 nan 0.000 0.429 301 C N 1.123 120.288 119.300 -0.226 0.000 3.188 301 C HA 0.481 4.910 4.460 -0.052 0.000 0.315 301 C C 0.325 175.075 174.990 -0.399 0.000 1.285 301 C CA -0.426 58.376 59.018 -0.360 0.000 1.729 301 C CB -0.348 27.261 27.740 -0.217 0.000 2.257 301 C HN 0.817 nan 8.230 nan 0.000 0.645 302 D N 0.341 120.568 120.400 -0.289 0.000 2.859 302 D HA 0.503 5.112 4.640 -0.052 0.000 0.223 302 D C -1.776 174.278 176.300 -0.410 0.000 1.218 302 D CA 0.108 53.985 54.000 -0.205 0.000 0.850 302 D CB 2.943 43.615 40.800 -0.213 0.000 1.656 302 D HN 0.068 nan 8.370 nan 0.000 0.484 303 V N 2.403 122.026 119.914 -0.485 0.000 2.525 303 V HA 0.534 4.623 4.120 -0.052 0.000 0.299 303 V C -0.451 175.288 176.094 -0.592 0.000 1.034 303 V CA -0.437 61.334 62.300 -0.882 0.000 0.863 303 V CB 1.921 32.677 31.823 -1.778 0.000 0.999 303 V HN 0.635 nan 8.190 nan 0.000 0.423 304 T N 3.477 117.747 114.554 -0.474 0.000 3.050 304 T HA 0.304 4.623 4.350 -0.052 0.000 0.310 304 T C -0.764 173.789 174.700 -0.245 0.000 0.978 304 T CA -0.486 61.489 62.100 -0.208 0.000 1.013 304 T CB 0.593 69.415 68.868 -0.077 0.000 1.000 304 T HN 0.526 nan 8.240 nan 0.000 0.447 305 W N 2.176 123.415 121.300 -0.102 0.000 2.223 305 W HA 0.400 5.028 4.660 -0.053 0.000 0.334 305 W C 1.203 177.585 176.519 -0.228 0.000 1.334 305 W CA -0.121 57.157 57.345 -0.112 0.000 1.246 305 W CB 0.474 29.954 29.460 0.034 0.000 1.184 305 W HN 0.832 nan 8.180 nan 0.000 0.563 306 A N 2.110 124.800 122.820 -0.217 0.000 1.963 306 A HA 0.234 4.523 4.320 -0.052 0.000 0.207 306 A C 0.803 178.324 177.584 -0.105 0.000 1.243 306 A CA 1.420 53.060 52.037 -0.662 0.000 0.728 306 A CB -0.213 17.858 19.000 -1.548 0.000 0.895 306 A HN 0.531 nan 8.150 nan 0.000 0.467 307 T N -5.726 108.891 114.554 0.105 0.000 2.671 307 T HA 0.329 4.648 4.350 -0.052 0.000 0.300 307 T C 0.135 175.012 174.700 0.294 0.000 1.238 307 T CA -0.377 61.832 62.100 0.180 0.000 1.020 307 T CB 0.633 69.591 68.868 0.150 0.000 1.503 307 T HN -0.066 nan 8.240 nan 0.000 0.497 308 Q N 0.449 120.379 119.800 0.216 0.000 2.197 308 Q HA -0.087 4.222 4.340 -0.052 0.000 0.207 308 Q C 1.010 177.277 176.000 0.446 0.000 0.984 308 Q CA 1.818 57.755 55.803 0.223 0.000 0.869 308 Q CB -0.248 28.580 28.738 0.150 0.000 0.906 308 Q HN 0.841 nan 8.270 nan 0.000 0.426 309 E N -0.428 120.032 120.200 0.433 0.000 2.758 309 E HA 0.194 4.512 4.350 -0.052 0.000 0.215 309 E C -0.247 176.634 176.600 0.468 0.000 0.985 309 E CA -0.180 56.488 56.400 0.446 0.000 1.102 309 E CB 0.897 30.757 29.700 0.266 0.000 1.042 309 E HN -0.016 nan 8.360 nan 0.000 0.480 310 R N 1.470 122.273 120.500 0.504 0.000 2.533 310 R HA 0.492 4.801 4.340 -0.052 0.000 0.288 310 R C -1.808 174.515 176.300 0.038 0.000 1.039 310 R CA -0.445 55.811 56.100 0.259 0.000 0.909 310 R CB 1.251 31.595 30.300 0.073 0.000 1.195 310 R HN 0.076 nan 8.270 nan 0.000 0.438 311 I N 2.989 123.401 120.570 -0.264 0.000 2.689 311 I HA 0.470 4.609 4.170 -0.052 0.000 0.299 311 I C -0.990 174.817 176.117 -0.517 0.000 1.059 311 I CA -0.573 60.292 61.300 -0.725 0.000 1.055 311 I CB 2.327 39.423 38.000 -1.507 0.000 1.243 311 I HN 0.854 nan 8.210 nan 0.000 0.425 312 S N 7.281 122.672 115.700 -0.516 0.000 2.473 312 S HA 0.715 5.154 4.470 -0.052 0.000 0.307 312 S C -1.136 173.172 174.600 -0.486 0.000 1.094 312 S CA -0.749 57.233 58.200 -0.364 0.000 1.070 312 S CB 1.725 64.829 63.200 -0.159 0.000 1.019 312 S HN 0.410 nan 8.310 nan 0.000 0.480 313 L N 2.468 123.418 121.223 -0.456 0.000 2.346 313 L HA 0.556 4.864 4.340 -0.052 0.000 0.276 313 L C -0.070 176.546 176.870 -0.424 0.000 1.006 313 L CA -0.181 54.296 54.840 -0.604 0.000 0.817 313 L CB 1.699 43.363 42.059 -0.658 0.000 1.272 313 L HN 0.834 nan 8.230 nan 0.000 0.421 314 Q N 1.986 121.491 119.800 -0.492 0.000 2.312 314 Q HA 0.475 4.784 4.340 -0.052 0.000 0.263 314 Q C -1.634 174.140 176.000 -0.378 0.000 0.995 314 Q CA -0.429 55.192 55.803 -0.302 0.000 0.853 314 Q CB 2.112 30.710 28.738 -0.233 0.000 1.300 314 Q HN 0.482 nan 8.270 nan 0.000 0.448 315 W N 2.374 123.610 121.300 -0.107 0.000 2.761 315 W HA 0.620 5.250 4.660 -0.051 0.000 0.340 315 W C -0.845 175.688 176.519 0.024 0.000 1.072 315 W CA -0.492 56.841 57.345 -0.021 0.000 1.215 315 W CB 1.269 30.697 29.460 -0.053 0.000 1.420 315 W HN 0.305 nan 8.180 nan 0.000 0.519 316 L N 3.058 124.499 121.223 0.364 0.000 2.386 316 L HA 0.559 4.868 4.340 -0.052 0.000 0.271 316 L C 0.173 177.246 176.870 0.339 0.000 0.993 316 L CA -1.176 53.843 54.840 0.299 0.000 0.819 316 L CB 1.677 43.904 42.059 0.279 0.000 1.294 316 L HN 0.468 nan 8.230 nan 0.000 0.414 317 R N 1.835 122.497 120.500 0.270 0.000 2.641 317 R HA 0.150 4.459 4.340 -0.052 0.000 0.269 317 R C 1.012 177.403 176.300 0.152 0.000 1.074 317 R CA -0.134 56.081 56.100 0.191 0.000 1.133 317 R CB 0.888 31.291 30.300 0.172 0.000 1.029 317 R HN 0.580 nan 8.270 nan 0.000 0.488 318 R N 1.737 122.237 120.500 0.001 0.000 2.105 318 R HA -0.102 4.207 4.340 -0.052 0.000 0.239 318 R C 0.238 176.615 176.300 0.128 0.000 1.135 318 R CA 1.290 57.389 56.100 -0.002 0.000 0.967 318 R CB -0.111 30.125 30.300 -0.105 0.000 0.861 318 R HN 0.490 nan 8.270 nan 0.000 0.442 319 I N 2.339 122.963 120.570 0.089 0.000 2.406 319 I HA -0.010 4.128 4.170 -0.052 0.000 0.293 319 I C 0.356 176.548 176.117 0.125 0.000 1.101 319 I CA 0.356 61.710 61.300 0.090 0.000 1.334 319 I CB 1.285 39.321 38.000 0.061 0.000 1.421 319 I HN 0.161 nan 8.210 nan 0.000 0.513 320 Q N 5.052 124.925 119.800 0.121 0.000 2.404 320 Q HA 0.006 4.315 4.340 -0.052 0.000 0.272 320 Q C 0.522 176.614 176.000 0.153 0.000 0.939 320 Q CA -0.084 55.803 55.803 0.140 0.000 0.945 320 Q CB -0.351 28.430 28.738 0.072 0.000 1.195 320 Q HN 0.689 nan 8.270 nan 0.000 0.415 321 N N -0.717 118.073 118.700 0.150 0.000 2.203 321 N HA -0.041 4.668 4.740 -0.052 0.000 0.207 321 N C -0.964 174.659 175.510 0.188 0.000 1.130 321 N CA -0.130 52.998 53.050 0.131 0.000 0.861 321 N CB 0.343 38.884 38.487 0.089 0.000 1.005 321 N HN 0.197 nan 8.380 nan 0.000 0.507 322 Y N 1.014 121.343 120.300 0.048 0.000 2.330 322 Y HA 0.503 5.021 4.550 -0.052 0.000 0.324 322 Y C -1.309 174.627 175.900 0.060 0.000 1.093 322 Y CA -0.940 57.184 58.100 0.041 0.000 1.103 322 Y CB 1.410 39.886 38.460 0.027 0.000 1.183 322 Y HN 0.155 nan 8.280 nan 0.000 0.433 323 S N 4.011 119.548 115.700 -0.272 0.000 2.548 323 S HA 0.902 5.341 4.470 -0.052 0.000 0.286 323 S C -1.829 172.617 174.600 -0.257 0.000 1.098 323 S CA -0.830 57.289 58.200 -0.135 0.000 0.930 323 S CB 2.000 65.170 63.200 -0.050 0.000 1.070 323 S HN 0.414 nan 8.310 nan 0.000 0.480 324 V N 3.153 123.022 119.914 -0.075 0.000 2.531 324 V HA 0.503 4.592 4.120 -0.052 0.000 0.301 324 V C -0.346 175.760 176.094 0.020 0.000 1.034 324 V CA -0.660 61.607 62.300 -0.055 0.000 0.865 324 V CB 1.694 33.511 31.823 -0.009 0.000 0.995 324 V HN 1.041 nan 8.190 nan 0.000 0.424 325 M N 4.219 123.803 119.600 -0.026 0.000 2.108 325 M HA 0.481 4.929 4.480 -0.052 0.000 0.354 325 M C -0.882 175.423 176.300 0.007 0.000 1.229 325 M CA -0.127 55.141 55.300 -0.052 0.000 1.081 325 M CB 0.719 33.224 32.600 -0.158 0.000 1.606 325 M HN 0.556 nan 8.290 nan 0.000 0.467 326 D N 5.049 125.452 120.400 0.005 0.000 2.229 326 D HA 0.550 5.159 4.640 -0.052 0.000 0.249 326 D C -0.928 175.346 176.300 -0.043 0.000 1.027 326 D CA 0.036 54.038 54.000 0.002 0.000 0.923 326 D CB 1.655 42.466 40.800 0.018 0.000 1.174 326 D HN 0.637 nan 8.370 nan 0.000 0.443 327 I N 1.474 122.045 120.570 0.001 0.000 2.468 327 I HA 0.250 4.389 4.170 -0.052 0.000 0.285 327 I C -0.913 175.211 176.117 0.012 0.000 1.039 327 I CA -0.524 60.776 61.300 0.000 0.000 1.074 327 I CB 1.500 39.563 38.000 0.105 0.000 1.228 327 I HN 0.200 nan 8.210 nan 0.000 0.436 328 c N 3.968 122.563 118.600 -0.008 0.000 2.344 328 c HA 0.438 4.977 4.570 -0.052 0.000 0.326 328 c C -0.378 173.850 174.090 0.231 0.000 1.201 328 c CA -1.031 55.352 56.329 0.091 0.000 1.410 328 c CB 0.507 43.058 42.510 0.069 0.000 2.070 328 c HN 0.568 nan 8.230 nan 0.000 0.445 329 D N 1.178 121.677 120.400 0.165 0.000 2.255 329 D HA 0.177 4.786 4.640 -0.052 0.000 0.249 329 D C -0.332 175.933 176.300 -0.059 0.000 1.078 329 D CA -0.031 54.034 54.000 0.108 0.000 0.896 329 D CB 0.915 41.737 40.800 0.037 0.000 1.194 329 D HN 0.619 nan 8.370 nan 0.000 0.429 330 Y N 1.513 121.457 120.300 -0.593 0.000 2.359 330 Y HA 0.066 4.585 4.550 -0.052 0.000 0.330 330 Y C 0.138 175.724 175.900 -0.524 0.000 1.143 330 Y CA 0.127 57.513 58.100 -1.191 0.000 1.318 330 Y CB 0.651 38.224 38.460 -1.479 0.000 1.234 330 Y HN 0.197 nan 8.280 nan 0.000 0.522 331 D N 5.704 125.472 120.400 -1.053 0.000 2.329 331 D HA 0.081 4.690 4.640 -0.052 0.000 0.232 331 D C 0.316 176.049 176.300 -0.943 0.000 1.088 331 D CA -0.090 53.482 54.000 -0.715 0.000 0.835 331 D CB 1.158 41.702 40.800 -0.426 0.000 1.078 331 D HN 0.858 nan 8.370 nan 0.000 0.495 332 E N 1.210 121.100 120.200 -0.517 0.000 2.077 332 E HA -0.162 4.156 4.350 -0.052 0.000 0.193 332 E C 1.854 178.343 176.600 -0.186 0.000 0.989 332 E CA 1.118 57.355 56.400 -0.273 0.000 0.800 332 E CB 0.269 29.939 29.700 -0.050 0.000 0.746 332 E HN 0.503 nan 8.360 nan 0.000 0.452 333 S N -0.192 115.409 115.700 -0.165 0.000 2.414 333 S HA -0.007 4.432 4.470 -0.052 0.000 0.227 333 S C 2.113 176.649 174.600 -0.106 0.000 1.022 333 S CA 0.848 58.988 58.200 -0.099 0.000 0.958 333 S CB 0.185 63.342 63.200 -0.072 0.000 0.797 333 S HN -0.019 nan 8.310 nan 0.000 0.493 334 S N 1.079 116.676 115.700 -0.172 0.000 2.377 334 S HA 0.345 4.783 4.470 -0.052 0.000 0.223 334 S C 1.723 176.254 174.600 -0.114 0.000 1.030 334 S CA 0.761 58.879 58.200 -0.137 0.000 0.970 334 S CB -0.877 62.224 63.200 -0.165 0.000 0.830 334 S HN 1.183 nan 8.310 nan 0.000 0.473 335 G N 1.603 110.266 108.800 -0.228 0.000 2.148 335 G HA2 -0.249 3.680 3.960 -0.052 0.000 0.254 335 G HA3 -0.249 3.680 3.960 -0.052 0.000 0.254 335 G C 0.081 174.973 174.900 -0.012 0.000 0.981 335 G CA 0.135 45.200 45.100 -0.059 0.000 0.670 335 G HN 0.422 nan 8.290 nan 0.000 0.528 336 R N -1.795 118.576 120.500 -0.214 0.000 2.902 336 R HA 0.669 4.978 4.340 -0.052 0.000 0.258 336 R C -0.862 175.299 176.300 -0.232 0.000 1.071 336 R CA -0.858 55.211 56.100 -0.051 0.000 1.024 336 R CB 0.994 31.296 30.300 0.004 0.000 1.184 336 R HN 0.137 nan 8.270 nan 0.000 0.492 337 W N 0.374 121.674 121.300 0.001 0.000 2.573 337 W HA 0.403 5.032 4.660 -0.051 0.000 0.326 337 W C -0.522 175.975 176.519 -0.036 0.000 1.049 337 W CA -0.355 56.985 57.345 -0.009 0.000 1.220 337 W CB 1.288 30.750 29.460 0.004 0.000 1.373 337 W HN 0.420 nan 8.180 nan 0.000 0.507 338 N N 1.759 120.546 118.700 0.143 0.000 2.410 338 N HA 0.467 5.175 4.740 -0.052 0.000 0.287 338 N C -1.715 173.834 175.510 0.064 0.000 1.044 338 N CA -0.648 52.440 53.050 0.064 0.000 0.881 338 N CB 1.254 39.738 38.487 -0.006 0.000 1.405 338 N HN 0.174 nan 8.380 nan 0.000 0.490 339 c N 2.780 121.403 118.600 0.039 0.000 2.223 339 c HA 0.403 4.942 4.570 -0.052 0.000 0.324 339 c C -0.059 174.032 174.090 0.002 0.000 1.196 339 c CA -0.934 55.407 56.329 0.021 0.000 1.628 339 c CB -1.332 41.177 42.510 -0.001 0.000 2.229 339 c HN 0.545 nan 8.230 nan 0.000 0.486 340 L N 3.662 124.891 121.223 0.010 0.000 2.360 340 L HA 0.127 4.436 4.340 -0.052 0.000 0.276 340 L C 1.402 178.268 176.870 -0.008 0.000 1.121 340 L CA 0.453 55.293 54.840 0.000 0.000 0.845 340 L CB 0.680 42.745 42.059 0.009 0.000 1.143 340 L HN 0.621 nan 8.230 nan 0.000 0.452 341 V N 3.448 123.349 119.914 -0.023 0.000 2.469 341 V HA -0.297 3.791 4.120 -0.052 0.000 0.251 341 V C 2.246 178.315 176.094 -0.043 0.000 1.064 341 V CA 1.814 64.093 62.300 -0.035 0.000 1.066 341 V CB -1.012 30.788 31.823 -0.039 0.000 0.667 341 V HN 0.997 nan 8.190 nan 0.000 0.461 342 A N 0.256 123.056 122.820 -0.033 0.000 1.933 342 A HA -0.180 4.108 4.320 -0.052 0.000 0.218 342 A C 2.230 179.783 177.584 -0.052 0.000 1.175 342 A CA 1.352 53.364 52.037 -0.042 0.000 0.628 342 A CB -0.395 18.592 19.000 -0.022 0.000 0.814 342 A HN 0.540 nan 8.150 nan 0.000 0.444 343 R N -0.257 120.239 120.500 -0.006 0.000 2.335 343 R HA 0.100 4.409 4.340 -0.052 0.000 0.223 343 R C 0.340 176.675 176.300 0.059 0.000 0.940 343 R CA -0.092 56.045 56.100 0.062 0.000 1.086 343 R CB -0.081 30.292 30.300 0.121 0.000 1.073 343 R HN 0.613 nan 8.270 nan 0.000 0.504 344 Q N 0.747 120.509 119.800 -0.064 0.000 2.314 344 Q HA 0.082 4.391 4.340 -0.052 0.000 0.258 344 Q C -1.041 174.835 176.000 -0.206 0.000 0.954 344 Q CA 0.147 55.918 55.803 -0.054 0.000 0.890 344 Q CB 0.725 29.426 28.738 -0.061 0.000 1.210 344 Q HN 0.213 nan 8.270 nan 0.000 0.410 345 H N 2.230 121.283 119.070 -0.028 0.000 2.589 345 H HA 0.433 4.958 4.556 -0.052 0.000 0.351 345 H C -0.921 174.350 175.328 -0.094 0.000 1.074 345 H CA -0.437 55.589 56.048 -0.037 0.000 1.203 345 H CB 1.158 30.890 29.762 -0.049 0.000 1.558 345 H HN 0.486 nan 8.280 nan 0.000 0.522 346 I N 2.295 122.860 120.570 -0.009 0.000 2.354 346 I HA 0.240 4.379 4.170 -0.052 0.000 0.292 346 I C -0.161 175.886 176.117 -0.116 0.000 0.989 346 I CA -0.296 60.914 61.300 -0.151 0.000 1.188 346 I CB 1.423 39.323 38.000 -0.168 0.000 1.342 346 I HN 0.537 nan 8.210 nan 0.000 0.457 347 E N 8.497 128.581 120.200 -0.194 0.000 2.199 347 E HA 0.663 4.982 4.350 -0.052 0.000 0.265 347 E C -1.176 175.326 176.600 -0.163 0.000 0.882 347 E CA -0.707 55.627 56.400 -0.109 0.000 0.759 347 E CB 1.612 31.274 29.700 -0.063 0.000 1.148 347 E HN 0.647 nan 8.360 nan 0.000 0.412 348 M N 1.160 120.715 119.600 -0.075 0.000 2.716 348 M HA 0.630 5.079 4.480 -0.052 0.000 0.278 348 M C -1.270 175.031 176.300 0.001 0.000 1.281 348 M CA -0.938 54.351 55.300 -0.018 0.000 0.814 348 M CB 2.254 34.898 32.600 0.074 0.000 1.719 348 M HN 0.275 nan 8.290 nan 0.000 0.457 349 S N -0.515 115.183 115.700 -0.002 0.000 2.548 349 S HA 0.559 4.998 4.470 -0.052 0.000 0.276 349 S C 0.118 174.678 174.600 -0.066 0.000 1.129 349 S CA 0.115 58.278 58.200 -0.062 0.000 0.931 349 S CB 1.877 64.986 63.200 -0.151 0.000 1.068 349 S HN 0.959 nan 8.310 nan 0.000 0.480 350 T N -0.003 114.506 114.554 -0.075 0.000 3.044 350 T HA 0.094 4.413 4.350 -0.052 0.000 0.250 350 T C 1.469 176.099 174.700 -0.115 0.000 1.081 350 T CA 0.948 63.010 62.100 -0.064 0.000 1.040 350 T CB -0.356 68.493 68.868 -0.033 0.000 0.962 350 T HN 0.708 nan 8.240 nan 0.000 0.506 351 T N -2.021 112.404 114.554 -0.216 0.000 3.034 351 T HA 0.585 4.904 4.350 -0.052 0.000 0.248 351 T C 1.197 175.567 174.700 -0.550 0.000 1.040 351 T CA 0.419 62.351 62.100 -0.280 0.000 1.107 351 T CB 0.268 69.026 68.868 -0.183 0.000 0.932 351 T HN 0.557 nan 8.240 nan 0.000 0.474 352 G N 0.265 108.496 108.800 -0.949 0.000 2.933 352 G HA2 0.514 4.443 3.960 -0.052 0.000 0.203 352 G HA3 0.514 4.443 3.960 -0.052 0.000 0.203 352 G C -1.467 173.215 174.900 -0.362 0.000 1.170 352 G CA -0.675 43.881 45.100 -0.906 0.000 0.880 352 G HN 0.516 nan 8.290 nan 0.000 0.573 353 W N -0.454 120.739 121.300 -0.179 0.000 2.116 353 W HA 0.740 5.369 4.660 -0.052 0.000 0.374 353 W C -0.112 176.405 176.519 -0.004 0.000 1.445 353 W CA -1.215 56.087 57.345 -0.071 0.000 1.582 353 W CB 0.657 30.059 29.460 -0.097 0.000 1.263 353 W HN 0.377 nan 8.180 nan 0.000 0.683 354 V N 2.615 122.611 119.914 0.136 0.000 2.472 354 V HA 0.786 4.875 4.120 -0.052 0.000 0.290 354 V C 0.411 176.564 176.094 0.097 0.000 1.037 354 V CA 0.343 62.663 62.300 0.034 0.000 0.908 354 V CB 0.403 32.242 31.823 0.027 0.000 0.985 354 V HN 1.664 nan 8.190 nan 0.000 0.454 355 G N 5.993 114.804 108.800 0.019 0.000 2.795 355 G HA2 -0.199 3.729 3.960 -0.052 0.000 0.664 355 G HA3 -0.199 3.729 3.960 -0.052 0.000 0.664 355 G C 0.239 175.186 174.900 0.078 0.000 1.381 355 G CA 0.307 45.442 45.100 0.057 0.000 0.853 355 G HN 0.912 nan 8.290 nan 0.000 0.545 356 R N -0.770 119.778 120.500 0.080 0.000 2.062 356 R HA 0.141 4.450 4.340 -0.052 0.000 0.229 356 R C 1.955 178.178 176.300 -0.128 0.000 1.128 356 R CA 2.223 58.316 56.100 -0.012 0.000 0.960 356 R CB -0.089 30.231 30.300 0.034 0.000 0.855 356 R HN 0.504 nan 8.270 nan 0.000 0.432 357 F N -1.096 118.984 119.950 0.217 0.000 2.819 357 F HA 0.247 4.744 4.527 -0.050 0.000 0.325 357 F C 0.255 176.081 175.800 0.043 0.000 1.041 357 F CA -0.558 57.524 58.000 0.137 0.000 1.184 357 F CB 0.742 39.809 39.000 0.112 0.000 1.019 357 F HN -0.151 nan 8.300 nan 0.000 0.590 358 R N -0.739 119.891 120.500 0.216 0.000 2.710 358 R HA 0.507 4.816 4.340 -0.052 0.000 0.270 358 R C -3.273 173.070 176.300 0.071 0.000 1.021 358 R CA -2.128 54.018 56.100 0.076 0.000 0.889 358 R CB 0.253 30.538 30.300 -0.025 0.000 1.243 358 R HN -0.364 nan 8.270 nan 0.000 0.464 359 P HA -0.071 nan 4.420 nan 0.000 0.263 359 P C -0.310 176.991 177.300 0.001 0.000 1.175 359 P CA 0.299 63.399 63.100 0.001 0.000 0.761 359 P CB 0.692 32.365 31.700 -0.044 0.000 0.794 360 S N 1.792 117.504 115.700 0.020 0.000 2.584 360 S HA 0.083 4.521 4.470 -0.052 0.000 0.270 360 S C 0.240 174.841 174.600 0.001 0.000 1.346 360 S CA -0.617 57.612 58.200 0.050 0.000 1.018 360 S CB 0.062 63.313 63.200 0.086 0.000 0.899 360 S HN 0.452 nan 8.310 nan 0.000 0.542 361 E N 3.636 123.859 120.200 0.038 0.000 2.343 361 E HA 0.363 4.682 4.350 -0.052 0.000 0.269 361 E C -2.783 173.789 176.600 -0.047 0.000 1.047 361 E CA -2.106 54.273 56.400 -0.034 0.000 0.874 361 E CB 0.367 30.059 29.700 -0.013 0.000 1.033 361 E HN 0.261 nan 8.360 nan 0.000 0.409 362 P HA 0.257 nan 4.420 nan 0.000 0.281 362 P C -0.753 176.421 177.300 -0.211 0.000 1.249 362 P CA -0.319 62.609 63.100 -0.287 0.000 0.810 362 P CB 0.762 31.930 31.700 -0.888 0.000 1.008 363 H N 1.796 120.876 119.070 0.016 0.000 2.762 363 H HA 0.297 4.821 4.556 -0.053 0.000 0.310 363 H C -0.394 175.062 175.328 0.213 0.000 1.004 363 H CA -0.326 55.830 56.048 0.181 0.000 1.267 363 H CB 0.391 30.285 29.762 0.221 0.000 1.437 363 H HN 0.308 nan 8.280 nan 0.000 0.498 364 F N 1.934 122.066 119.950 0.303 0.000 2.399 364 F HA 0.057 4.553 4.527 -0.053 0.000 0.342 364 F C 1.556 177.546 175.800 0.317 0.000 1.106 364 F CA -0.420 57.764 58.000 0.307 0.000 1.196 364 F CB 1.006 40.126 39.000 0.199 0.000 1.163 364 F HN 0.373 nan 8.300 nan 0.000 0.547 365 T N 0.848 115.694 114.554 0.488 0.000 2.856 365 T HA 0.085 4.404 4.350 -0.052 0.000 0.306 365 T C 1.143 176.040 174.700 0.327 0.000 1.062 365 T CA -0.804 61.525 62.100 0.382 0.000 1.083 365 T CB 0.773 69.845 68.868 0.341 0.000 0.984 365 T HN 0.595 nan 8.240 nan 0.000 0.542 366 L N 1.450 122.820 121.223 0.245 0.000 2.051 366 L HA -0.145 4.164 4.340 -0.052 0.000 0.214 366 L C 2.118 179.099 176.870 0.186 0.000 1.076 366 L CA 2.509 57.468 54.840 0.197 0.000 0.758 366 L CB -1.033 41.118 42.059 0.152 0.000 0.890 366 L HN 0.956 nan 8.230 nan 0.000 0.433 367 D N -1.320 119.190 120.400 0.183 0.000 2.371 367 D HA 0.049 4.658 4.640 -0.052 0.000 0.221 367 D C 1.623 178.034 176.300 0.184 0.000 0.986 367 D CA 0.780 54.877 54.000 0.162 0.000 0.899 367 D CB -0.645 40.239 40.800 0.140 0.000 0.902 367 D HN 0.450 nan 8.370 nan 0.000 0.530 368 G N 0.504 109.457 108.800 0.254 0.000 2.168 368 G HA2 -0.343 3.586 3.960 -0.052 0.000 0.257 368 G HA3 -0.343 3.586 3.960 -0.052 0.000 0.257 368 G C 0.834 175.952 174.900 0.363 0.000 0.997 368 G CA 0.415 45.698 45.100 0.305 0.000 0.708 368 G HN 0.391 nan 8.290 nan 0.000 0.520 369 N N -0.295 118.583 118.700 0.297 0.000 2.299 369 N HA 0.198 4.907 4.740 -0.052 0.000 0.187 369 N C 0.492 176.112 175.510 0.184 0.000 1.099 369 N CA 0.816 54.001 53.050 0.225 0.000 0.867 369 N CB 0.649 39.225 38.487 0.149 0.000 0.974 369 N HN 0.357 nan 8.380 nan 0.000 0.477 370 S N -0.175 115.659 115.700 0.222 0.000 2.564 370 S HA 0.700 5.138 4.470 -0.052 0.000 0.274 370 S C -1.374 173.256 174.600 0.050 0.000 1.124 370 S CA -0.745 57.456 58.200 0.002 0.000 0.869 370 S CB 1.309 64.543 63.200 0.057 0.000 1.105 370 S HN 0.191 nan 8.310 nan 0.000 0.472 371 F N -0.128 119.618 119.950 -0.340 0.000 2.626 371 F HA 0.801 5.297 4.527 -0.052 0.000 0.311 371 F C -1.880 173.723 175.800 -0.328 0.000 1.088 371 F CA -1.274 56.471 58.000 -0.426 0.000 0.949 371 F CB 0.679 39.045 39.000 -1.056 0.000 1.322 371 F HN 0.460 nan 8.300 nan 0.000 0.461 372 Y N 0.949 121.390 120.300 0.235 0.000 2.446 372 Y HA 0.698 5.217 4.550 -0.052 0.000 0.338 372 Y C -0.309 175.748 175.900 0.261 0.000 1.055 372 Y CA -0.893 57.335 58.100 0.214 0.000 1.101 372 Y CB 2.279 40.822 38.460 0.137 0.000 1.221 372 Y HN 0.755 nan 8.280 nan 0.000 0.460 373 K N 2.605 123.223 120.400 0.364 0.000 2.570 373 K HA 0.442 4.731 4.320 -0.052 0.000 0.256 373 K C -1.914 174.818 176.600 0.220 0.000 0.939 373 K CA -0.448 56.002 56.287 0.270 0.000 0.833 373 K CB 1.300 33.915 32.500 0.192 0.000 1.318 373 K HN 0.715 nan 8.250 nan 0.000 0.433 374 I N 6.726 127.401 120.570 0.175 0.000 2.436 374 I HA 0.222 4.361 4.170 -0.052 0.000 0.289 374 I C 0.309 176.515 176.117 0.148 0.000 1.083 374 I CA -0.161 61.227 61.300 0.148 0.000 1.372 374 I CB 0.030 38.103 38.000 0.122 0.000 1.408 374 I HN 0.496 nan 8.210 nan 0.000 0.516 375 I N 2.451 123.139 120.570 0.197 0.000 3.074 375 I HA 0.552 4.691 4.170 -0.052 0.000 0.310 375 I C -0.187 176.067 176.117 0.229 0.000 1.153 375 I CA -0.867 60.549 61.300 0.194 0.000 0.993 375 I CB 2.302 40.435 38.000 0.221 0.000 1.237 375 I HN 0.434 nan 8.210 nan 0.000 0.443 376 S N 2.304 118.083 115.700 0.132 0.000 2.499 376 S HA 0.314 4.753 4.470 -0.052 0.000 0.275 376 S C -0.132 174.527 174.600 0.097 0.000 1.257 376 S CA -0.802 57.428 58.200 0.050 0.000 1.050 376 S CB 0.120 63.291 63.200 -0.049 0.000 0.937 376 S HN 0.792 nan 8.310 nan 0.000 0.490 377 N N 1.835 120.483 118.700 -0.088 0.000 2.327 377 N HA 0.028 4.737 4.740 -0.052 0.000 0.257 377 N C 1.198 176.613 175.510 -0.157 0.000 1.281 377 N CA -0.462 52.371 53.050 -0.362 0.000 0.942 377 N CB 0.168 38.042 38.487 -1.022 0.000 1.199 377 N HN 0.667 nan 8.380 nan 0.000 0.532 378 E N -0.379 119.724 120.200 -0.162 0.000 2.233 378 E HA -0.305 4.014 4.350 -0.052 0.000 0.199 378 E C -0.032 176.530 176.600 -0.064 0.000 1.004 378 E CA 1.754 58.109 56.400 -0.075 0.000 0.819 378 E CB -0.708 28.952 29.700 -0.067 0.000 0.738 378 E HN 0.943 nan 8.360 nan 0.000 0.478 379 E N -0.406 119.753 120.200 -0.067 0.000 2.609 379 E HA 0.405 4.724 4.350 -0.052 0.000 0.208 379 E C 0.656 177.251 176.600 -0.010 0.000 1.013 379 E CA 0.030 56.424 56.400 -0.009 0.000 1.093 379 E CB 0.233 29.950 29.700 0.029 0.000 1.129 379 E HN 0.202 nan 8.360 nan 0.000 0.450 380 G N 0.776 109.522 108.800 -0.089 0.000 2.162 380 G HA2 -0.329 3.600 3.960 -0.052 0.000 0.260 380 G HA3 -0.329 3.600 3.960 -0.052 0.000 0.260 380 G C -0.392 174.297 174.900 -0.352 0.000 0.976 380 G CA 0.282 45.254 45.100 -0.213 0.000 0.655 380 G HN 0.393 nan 8.290 nan 0.000 0.533 381 Y N 0.340 120.532 120.300 -0.180 0.000 2.323 381 Y HA 0.598 5.116 4.550 -0.052 0.000 0.331 381 Y C 1.259 177.010 175.900 -0.247 0.000 1.092 381 Y CA -0.767 57.202 58.100 -0.218 0.000 1.150 381 Y CB 0.920 39.261 38.460 -0.198 0.000 1.200 381 Y HN 0.072 nan 8.280 nan 0.000 0.472 382 R N 3.898 124.272 120.500 -0.210 0.000 2.248 382 R HA 0.270 4.579 4.340 -0.052 0.000 0.328 382 R C -0.778 175.254 176.300 -0.447 0.000 1.067 382 R CA -0.065 55.917 56.100 -0.196 0.000 0.924 382 R CB 0.125 30.352 30.300 -0.121 0.000 1.013 382 R HN 0.673 nan 8.270 nan 0.000 0.454 383 H N 1.739 120.820 119.070 0.017 0.000 2.977 383 H HA 0.311 4.836 4.556 -0.052 0.000 0.350 383 H C -0.257 175.160 175.328 0.148 0.000 1.238 383 H CA -0.955 55.087 56.048 -0.009 0.000 1.124 383 H CB 1.588 31.265 29.762 -0.142 0.000 1.866 383 H HN 0.325 nan 8.280 nan 0.000 0.550 384 I N 1.466 122.136 120.570 0.168 0.000 2.379 384 I HA 0.019 4.158 4.170 -0.052 0.000 0.290 384 I C 0.448 176.585 176.117 0.032 0.000 1.063 384 I CA 0.151 61.499 61.300 0.079 0.000 1.351 384 I CB 0.134 38.093 38.000 -0.067 0.000 1.410 384 I HN 0.141 nan 8.210 nan 0.000 0.505 385 c N 7.173 125.720 118.600 -0.087 0.000 2.350 385 c HA 0.313 4.852 4.570 -0.052 0.000 0.348 385 c C -0.133 173.792 174.090 -0.276 0.000 1.260 385 c CA -0.575 55.453 56.329 -0.500 0.000 1.966 385 c CB 0.331 42.271 42.510 -0.951 0.000 2.380 385 c HN 0.698 nan 8.230 nan 0.000 0.535 386 Y N 5.118 125.074 120.300 -0.573 0.000 2.367 386 Y HA 0.570 5.089 4.550 -0.052 0.000 0.342 386 Y C -0.860 174.580 175.900 -0.767 0.000 0.979 386 Y CA -0.436 57.281 58.100 -0.637 0.000 1.161 386 Y CB 0.216 38.395 38.460 -0.469 0.000 1.155 386 Y HN 0.666 nan 8.280 nan 0.000 0.503 387 F N 4.199 123.391 119.950 -1.264 0.000 2.458 387 F HA 0.404 4.899 4.527 -0.052 0.000 0.330 387 F C -0.225 174.798 175.800 -1.296 0.000 1.082 387 F CA -0.805 56.410 58.000 -1.309 0.000 0.995 387 F CB 1.530 39.397 39.000 -1.888 0.000 1.170 387 F HN 0.363 nan 8.300 nan 0.000 0.478 388 Q N 2.738 122.161 119.800 -0.629 0.000 2.256 388 Q HA 0.260 4.568 4.340 -0.052 0.000 0.257 388 Q C 0.842 176.780 176.000 -0.104 0.000 0.936 388 Q CA -0.556 55.021 55.803 -0.377 0.000 0.903 388 Q CB 2.440 31.020 28.738 -0.264 0.000 1.263 388 Q HN 0.693 nan 8.270 nan 0.000 0.440 389 I N 1.509 122.092 120.570 0.022 0.000 2.194 389 I HA -0.303 3.836 4.170 -0.052 0.000 0.246 389 I C 1.232 177.506 176.117 0.263 0.000 1.093 389 I CA 1.811 63.257 61.300 0.243 0.000 1.355 389 I CB 0.081 38.235 38.000 0.257 0.000 1.046 389 I HN 0.594 nan 8.210 nan 0.000 0.413 390 D N -0.423 120.050 120.400 0.123 0.000 2.339 390 D HA 0.028 4.637 4.640 -0.052 0.000 0.217 390 D C 0.635 176.948 176.300 0.023 0.000 1.050 390 D CA 0.187 54.227 54.000 0.066 0.000 0.856 390 D CB 0.379 41.201 40.800 0.036 0.000 0.922 390 D HN 0.141 nan 8.370 nan 0.000 0.518 391 K N 0.533 120.961 120.400 0.047 0.000 2.259 391 K HA 0.212 4.501 4.320 -0.052 0.000 0.252 391 K C 0.643 177.263 176.600 0.033 0.000 0.936 391 K CA -0.594 55.692 56.287 -0.001 0.000 0.810 391 K CB 2.388 34.855 32.500 -0.054 0.000 1.143 391 K HN -0.409 nan 8.250 nan 0.000 0.427 392 K N 1.011 121.388 120.400 -0.039 0.000 2.021 392 K HA 0.080 4.369 4.320 -0.052 0.000 0.205 392 K C -0.462 176.148 176.600 0.017 0.000 1.047 392 K CA 1.390 57.655 56.287 -0.037 0.000 0.943 392 K CB 0.103 32.568 32.500 -0.057 0.000 0.725 392 K HN 0.681 nan 8.250 nan 0.000 0.439 393 D N 0.356 120.714 120.400 -0.070 0.000 2.304 393 D HA 0.082 4.691 4.640 -0.052 0.000 0.250 393 D C 0.023 176.119 176.300 -0.340 0.000 1.107 393 D CA -0.180 53.726 54.000 -0.157 0.000 0.885 393 D CB 0.858 41.584 40.800 -0.123 0.000 1.192 393 D HN 0.362 nan 8.370 nan 0.000 0.436 394 c N 0.254 118.490 118.600 -0.607 0.000 2.423 394 c HA 0.870 5.409 4.570 -0.052 0.000 0.378 394 c C 0.386 174.090 174.090 -0.644 0.000 1.244 394 c CA -0.809 54.943 56.329 -0.962 0.000 1.978 394 c CB 1.231 42.475 42.510 -2.111 0.000 2.252 394 c HN 0.618 nan 8.230 nan 0.000 0.526 395 T N -0.123 114.096 114.554 -0.558 0.000 2.792 395 T HA 0.583 4.902 4.350 -0.052 0.000 0.280 395 T C -0.983 173.518 174.700 -0.331 0.000 0.990 395 T CA -0.246 61.680 62.100 -0.290 0.000 0.960 395 T CB 0.236 69.075 68.868 -0.048 0.000 0.939 395 T HN 0.504 nan 8.240 nan 0.000 0.439 396 F N 4.952 124.789 119.950 -0.188 0.000 2.506 396 F HA 0.277 4.772 4.527 -0.052 0.000 0.371 396 F C 1.681 177.301 175.800 -0.300 0.000 1.078 396 F CA -0.836 57.034 58.000 -0.216 0.000 1.195 396 F CB 0.579 39.456 39.000 -0.204 0.000 1.099 396 F HN 0.671 nan 8.300 nan 0.000 0.548 397 I N -0.293 120.122 120.570 -0.259 0.000 3.603 397 I HA 0.140 4.278 4.170 -0.052 0.000 0.297 397 I C 0.303 176.218 176.117 -0.337 0.000 1.269 397 I CA 0.252 61.167 61.300 -0.642 0.000 1.361 397 I CB -0.178 37.240 38.000 -0.971 0.000 1.063 397 I HN 0.469 nan 8.210 nan 0.000 0.448 398 T N -0.636 113.789 114.554 -0.215 0.000 2.893 398 T HA 0.596 4.915 4.350 -0.052 0.000 0.291 398 T C -0.600 173.658 174.700 -0.736 0.000 1.028 398 T CA -0.815 61.121 62.100 -0.273 0.000 0.995 398 T CB 2.683 71.485 68.868 -0.109 0.000 1.051 398 T HN 0.149 nan 8.240 nan 0.000 0.470 399 K N 0.328 120.263 120.400 -0.775 0.000 2.395 399 K HA 0.842 5.130 4.320 -0.052 0.000 0.245 399 K C -0.225 175.806 176.600 -0.947 0.000 1.017 399 K CA -0.972 54.755 56.287 -0.933 0.000 0.852 399 K CB 2.260 34.512 32.500 -0.413 0.000 1.311 399 K HN 1.263 nan 8.250 nan 0.000 0.452 400 G N -0.151 108.167 108.800 -0.803 0.000 2.392 400 G HA2 -0.129 3.800 3.960 -0.052 0.000 0.677 400 G HA3 -0.129 3.800 3.960 -0.052 0.000 0.677 400 G C -0.491 173.912 174.900 -0.829 0.000 1.334 400 G CA -0.642 44.106 45.100 -0.588 0.000 0.961 400 G HN 0.522 nan 8.290 nan 0.000 0.616 401 T N -0.348 113.870 114.554 -0.561 0.000 4.058 401 T HA 0.557 4.876 4.350 -0.052 0.000 0.252 401 T C 0.364 174.939 174.700 -0.209 0.000 1.264 401 T CA 0.690 62.284 62.100 -0.843 0.000 1.094 401 T CB -0.895 67.719 68.868 -0.424 0.000 1.316 401 T HN 1.566 nan 8.240 nan 0.000 0.872 402 W N -0.410 120.767 121.300 -0.204 0.000 2.826 402 W HA 0.671 5.300 4.660 -0.052 0.000 0.410 402 W C -1.473 175.076 176.519 0.050 0.000 1.128 402 W CA -0.994 56.371 57.345 0.034 0.000 1.176 402 W CB 0.663 30.123 29.460 -0.001 0.000 1.475 402 W HN 0.167 nan 8.180 nan 0.000 0.588 403 E N 0.659 121.064 120.200 0.341 0.000 2.340 403 E HA 0.428 4.747 4.350 -0.052 0.000 0.273 403 E C -1.291 175.435 176.600 0.210 0.000 0.891 403 E CA -1.080 55.311 56.400 -0.016 0.000 0.757 403 E CB 3.449 33.184 29.700 0.057 0.000 1.231 403 E HN 0.166 nan 8.360 nan 0.000 0.439 404 V N 4.082 123.988 119.914 -0.012 0.000 2.488 404 V HA 0.030 4.119 4.120 -0.052 0.000 0.277 404 V C 1.233 177.439 176.094 0.187 0.000 1.046 404 V CA -0.074 62.343 62.300 0.195 0.000 0.986 404 V CB 0.529 32.393 31.823 0.068 0.000 0.989 404 V HN 0.679 nan 8.190 nan 0.000 0.475 405 I N 3.269 123.977 120.570 0.230 0.000 2.296 405 I HA 0.223 4.362 4.170 -0.052 0.000 0.242 405 I C 1.160 177.400 176.117 0.204 0.000 1.087 405 I CA 1.244 62.663 61.300 0.199 0.000 1.393 405 I CB -0.842 37.209 38.000 0.085 0.000 1.093 405 I HN 0.731 nan 8.210 nan 0.000 0.421 406 G N 0.593 109.516 108.800 0.206 0.000 2.720 406 G HA2 0.599 4.528 3.960 -0.052 0.000 0.295 406 G HA3 0.599 4.528 3.960 -0.052 0.000 0.295 406 G C -1.268 173.743 174.900 0.185 0.000 1.437 406 G CA -0.488 44.727 45.100 0.193 0.000 0.886 406 G HN -0.022 nan 8.290 nan 0.000 0.509 407 I N 1.579 122.201 120.570 0.087 0.000 2.371 407 I HA 0.253 4.392 4.170 -0.052 0.000 0.290 407 I C 0.749 176.807 176.117 -0.100 0.000 1.028 407 I CA -0.484 60.775 61.300 -0.068 0.000 1.345 407 I CB 1.715 39.487 38.000 -0.381 0.000 1.407 407 I HN 0.495 nan 8.210 nan 0.000 0.501 408 E N 4.950 125.164 120.200 0.024 0.000 2.290 408 E HA 0.354 4.673 4.350 -0.052 0.000 0.197 408 E C 0.129 176.727 176.600 -0.003 0.000 0.948 408 E CA 0.224 56.695 56.400 0.117 0.000 0.895 408 E CB 0.759 30.635 29.700 0.293 0.000 0.865 408 E HN 0.654 nan 8.360 nan 0.000 0.486 409 A N 0.872 123.588 122.820 -0.174 0.000 2.594 409 A HA 0.643 4.932 4.320 -0.052 0.000 0.296 409 A C -1.581 175.948 177.584 -0.092 0.000 1.061 409 A CA -0.812 51.046 52.037 -0.297 0.000 0.689 409 A CB 1.034 19.386 19.000 -1.080 0.000 1.280 409 A HN 0.135 nan 8.150 nan 0.000 0.406 410 L N 0.190 121.402 121.223 -0.018 0.000 2.445 410 L HA 0.986 5.295 4.340 -0.052 0.000 0.262 410 L C -0.160 176.753 176.870 0.072 0.000 0.974 410 L CA -0.141 54.714 54.840 0.026 0.000 0.822 410 L CB 2.290 44.337 42.059 -0.021 0.000 1.339 410 L HN 1.059 nan 8.230 nan 0.000 0.409 411 T N -1.023 113.586 114.554 0.092 0.000 2.735 411 T HA 0.421 4.740 4.350 -0.052 0.000 0.262 411 T C 0.868 175.610 174.700 0.069 0.000 0.955 411 T CA 0.064 62.225 62.100 0.101 0.000 1.022 411 T CB 1.043 70.001 68.868 0.151 0.000 1.455 411 T HN 0.603 nan 8.240 nan 0.000 0.583 412 S N 0.514 116.248 115.700 0.057 0.000 2.383 412 S HA -0.037 4.402 4.470 -0.052 0.000 0.227 412 S C 1.183 175.752 174.600 -0.052 0.000 1.026 412 S CA 1.148 59.363 58.200 0.026 0.000 0.981 412 S CB -0.387 62.829 63.200 0.027 0.000 0.818 412 S HN 0.699 nan 8.310 nan 0.000 0.472 413 D N -1.335 118.999 120.400 -0.110 0.000 2.423 413 D HA 0.197 4.806 4.640 -0.052 0.000 0.212 413 D C -0.527 175.377 176.300 -0.661 0.000 1.060 413 D CA 0.435 54.216 54.000 -0.366 0.000 0.872 413 D CB 0.585 41.144 40.800 -0.403 0.000 1.012 413 D HN 0.343 nan 8.370 nan 0.000 0.503 414 Y N 0.377 120.604 120.300 -0.121 0.000 2.524 414 Y HA 0.369 4.888 4.550 -0.052 0.000 0.347 414 Y C -0.622 175.074 175.900 -0.340 0.000 1.005 414 Y CA -1.157 56.773 58.100 -0.283 0.000 1.025 414 Y CB 2.474 40.654 38.460 -0.467 0.000 1.275 414 Y HN -0.230 nan 8.280 nan 0.000 0.460 415 L N 3.547 124.632 121.223 -0.230 0.000 2.333 415 L HA 0.529 4.838 4.340 -0.052 0.000 0.280 415 L C -1.905 174.822 176.870 -0.239 0.000 1.004 415 L CA -0.932 53.754 54.840 -0.256 0.000 0.820 415 L CB 0.677 42.502 42.059 -0.390 0.000 1.247 415 L HN 0.658 nan 8.230 nan 0.000 0.416 416 Y N 5.861 126.119 120.300 -0.069 0.000 2.341 416 Y HA 0.583 5.102 4.550 -0.052 0.000 0.337 416 Y C -0.313 175.640 175.900 0.088 0.000 1.014 416 Y CA -0.373 57.698 58.100 -0.049 0.000 1.111 416 Y CB 1.562 39.869 38.460 -0.256 0.000 1.194 416 Y HN 0.576 nan 8.280 nan 0.000 0.462 417 Y N 0.901 121.276 120.300 0.125 0.000 2.609 417 Y HA 0.723 5.242 4.550 -0.052 0.000 0.336 417 Y C -1.953 174.040 175.900 0.156 0.000 1.129 417 Y CA -1.703 56.460 58.100 0.106 0.000 1.040 417 Y CB 1.037 39.536 38.460 0.065 0.000 1.310 417 Y HN 0.293 nan 8.280 nan 0.000 0.460 418 I N 3.512 124.205 120.570 0.204 0.000 2.392 418 I HA 0.588 4.727 4.170 -0.052 0.000 0.295 418 I C 0.034 176.302 176.117 0.252 0.000 0.985 418 I CA -0.200 61.170 61.300 0.116 0.000 1.221 418 I CB 1.414 39.452 38.000 0.064 0.000 1.366 418 I HN 0.886 nan 8.210 nan 0.000 0.467 419 S N 4.192 120.019 115.700 0.211 0.000 2.671 419 S HA 0.490 4.928 4.470 -0.052 0.000 0.277 419 S C -0.436 174.233 174.600 0.115 0.000 1.165 419 S CA -0.795 57.550 58.200 0.243 0.000 0.822 419 S CB 1.974 65.388 63.200 0.358 0.000 1.150 419 S HN 0.587 nan 8.310 nan 0.000 0.479 420 N N -0.360 118.416 118.700 0.127 0.000 2.458 420 N HA 0.179 4.888 4.740 -0.052 0.000 0.274 420 N C 0.366 175.860 175.510 -0.027 0.000 1.242 420 N CA -0.422 52.651 53.050 0.038 0.000 0.904 420 N CB 0.423 38.919 38.487 0.016 0.000 1.206 420 N HN 0.818 nan 8.380 nan 0.000 0.510 421 E N -0.048 119.971 120.200 -0.301 0.000 2.112 421 E HA -0.134 4.185 4.350 -0.052 0.000 0.190 421 E C -0.420 176.012 176.600 -0.280 0.000 0.979 421 E CA 0.034 55.988 56.400 -0.743 0.000 0.814 421 E CB -0.019 28.585 29.700 -1.826 0.000 0.762 421 E HN 0.508 nan 8.360 nan 0.000 0.460 422 Y N 2.087 122.289 120.300 -0.164 0.000 2.729 422 Y HA -0.135 4.384 4.550 -0.052 0.000 0.331 422 Y C 0.301 176.163 175.900 -0.065 0.000 1.208 422 Y CA 0.852 58.907 58.100 -0.075 0.000 1.521 422 Y CB 0.183 38.625 38.460 -0.031 0.000 1.233 422 Y HN 0.061 nan 8.280 nan 0.000 0.539 423 K N 3.520 123.598 120.400 -0.538 0.000 3.274 423 K HA -0.259 4.030 4.320 -0.052 0.000 0.300 423 K C 0.810 177.340 176.600 -0.117 0.000 1.230 423 K CA 0.739 56.806 56.287 -0.366 0.000 0.884 423 K CB -1.868 30.410 32.500 -0.371 0.000 1.242 423 K HN 1.234 nan 8.250 nan 0.000 0.467 424 G N 0.694 109.437 108.800 -0.096 0.000 2.225 424 G HA2 -0.328 3.601 3.960 -0.052 0.000 0.267 424 G HA3 -0.328 3.601 3.960 -0.052 0.000 0.267 424 G C 0.016 174.914 174.900 -0.003 0.000 1.024 424 G CA 0.804 45.901 45.100 -0.005 0.000 0.784 424 G HN 0.325 nan 8.290 nan 0.000 0.507 425 M N 0.862 120.383 119.600 -0.131 0.000 2.080 425 M HA 0.253 4.702 4.480 -0.052 0.000 0.350 425 M C -0.959 175.090 176.300 -0.419 0.000 1.143 425 M CA -2.069 52.969 55.300 -0.437 0.000 1.064 425 M CB 1.530 33.941 32.600 -0.315 0.000 1.429 425 M HN -0.099 nan 8.290 nan 0.000 0.418 426 P HA -0.122 nan 4.420 nan 0.000 0.221 426 P C 1.128 178.290 177.300 -0.230 0.000 1.145 426 P CA 1.280 64.220 63.100 -0.265 0.000 0.795 426 P CB 0.066 31.628 31.700 -0.229 0.000 0.775 427 G N -0.766 107.829 108.800 -0.343 0.000 3.088 427 G HA2 0.248 4.177 3.960 -0.052 0.000 0.212 427 G HA3 0.248 4.177 3.960 -0.052 0.000 0.212 427 G C 0.724 175.630 174.900 0.011 0.000 1.173 427 G CA 0.161 45.186 45.100 -0.124 0.000 0.779 427 G HN 0.431 nan 8.290 nan 0.000 0.540 428 G N -0.259 108.493 108.800 -0.079 0.000 2.461 428 G HA2 0.645 4.574 3.960 -0.052 0.000 0.329 428 G HA3 0.645 4.574 3.960 -0.052 0.000 0.329 428 G C -0.820 173.984 174.900 -0.160 0.000 1.170 428 G CA -0.741 44.347 45.100 -0.020 0.000 0.935 428 G HN 0.080 nan 8.290 nan 0.000 0.492 429 R N 0.522 120.886 120.500 -0.226 0.000 2.522 429 R HA 0.338 4.647 4.340 -0.052 0.000 0.283 429 R C -1.377 174.856 176.300 -0.112 0.000 1.074 429 R CA -0.775 55.139 56.100 -0.311 0.000 0.925 429 R CB 1.937 31.757 30.300 -0.799 0.000 1.205 429 R HN 0.692 nan 8.270 nan 0.000 0.436 430 N N 0.573 119.228 118.700 -0.075 0.000 2.357 430 N HA 0.431 5.140 4.740 -0.052 0.000 0.284 430 N C -1.416 173.894 175.510 -0.333 0.000 1.236 430 N CA -0.828 52.079 53.050 -0.238 0.000 0.774 430 N CB 1.956 40.173 38.487 -0.450 0.000 1.534 430 N HN 0.256 nan 8.380 nan 0.000 0.478 431 L N 2.129 123.022 121.223 -0.549 0.000 2.290 431 L HA 0.481 4.790 4.340 -0.052 0.000 0.284 431 L C -1.579 174.874 176.870 -0.695 0.000 1.078 431 L CA 0.056 54.606 54.840 -0.483 0.000 0.815 431 L CB -0.321 41.450 42.059 -0.480 0.000 1.162 431 L HN 0.504 nan 8.230 nan 0.000 0.435 432 Y N 3.691 123.635 120.300 -0.593 0.000 2.562 432 Y HA 0.558 5.077 4.550 -0.052 0.000 0.343 432 Y C -0.288 175.315 175.900 -0.495 0.000 1.025 432 Y CA -0.782 56.930 58.100 -0.647 0.000 1.082 432 Y CB 1.764 39.612 38.460 -1.021 0.000 1.264 432 Y HN 0.480 nan 8.280 nan 0.000 0.478 433 K N 3.115 123.412 120.400 -0.172 0.000 2.545 433 K HA 0.538 4.827 4.320 -0.052 0.000 0.252 433 K C -1.965 174.620 176.600 -0.025 0.000 0.948 433 K CA -0.468 55.649 56.287 -0.284 0.000 0.827 433 K CB 1.286 33.528 32.500 -0.431 0.000 1.128 433 K HN 0.782 nan 8.250 nan 0.000 0.429 434 I N 3.420 124.041 120.570 0.086 0.000 2.378 434 I HA 0.209 4.348 4.170 -0.052 0.000 0.291 434 I C -0.507 175.719 176.117 0.182 0.000 0.992 434 I CA -0.633 60.774 61.300 0.178 0.000 1.154 434 I CB 1.621 39.736 38.000 0.191 0.000 1.315 434 I HN 0.715 nan 8.210 nan 0.000 0.448 435 Q N 5.539 125.450 119.800 0.185 0.000 2.286 435 Q HA 0.090 4.399 4.340 -0.052 0.000 0.267 435 Q C 0.243 176.207 176.000 -0.059 0.000 1.028 435 Q CA -0.538 55.233 55.803 -0.055 0.000 0.901 435 Q CB 1.188 29.901 28.738 -0.042 0.000 1.183 435 Q HN 0.755 nan 8.270 nan 0.000 0.392 436 L N 3.125 124.243 121.223 -0.175 0.000 2.191 436 L HA -0.181 4.128 4.340 -0.052 0.000 0.212 436 L C 2.207 178.986 176.870 -0.152 0.000 1.103 436 L CA 1.891 56.685 54.840 -0.076 0.000 0.769 436 L CB -0.903 41.077 42.059 -0.131 0.000 0.908 436 L HN 0.754 nan 8.230 nan 0.000 0.438 437 S N -2.922 112.646 115.700 -0.219 0.000 2.528 437 S HA 0.053 4.491 4.470 -0.052 0.000 0.219 437 S C 0.540 174.955 174.600 -0.308 0.000 0.985 437 S CA -0.018 58.033 58.200 -0.248 0.000 0.914 437 S CB 0.156 63.243 63.200 -0.187 0.000 0.776 437 S HN 0.369 nan 8.310 nan 0.000 0.526 438 D N -0.224 120.009 120.400 -0.278 0.000 2.354 438 D HA 0.241 4.850 4.640 -0.052 0.000 0.230 438 D C -0.575 175.687 176.300 -0.063 0.000 1.361 438 D CA -0.516 53.348 54.000 -0.227 0.000 0.992 438 D CB 0.473 41.204 40.800 -0.114 0.000 1.409 438 D HN -0.041 nan 8.370 nan 0.000 0.573 439 Y N 0.883 121.165 120.300 -0.031 0.000 2.439 439 Y HA -0.087 4.432 4.550 -0.052 0.000 0.292 439 Y C 2.594 178.500 175.900 0.011 0.000 1.130 439 Y CA 1.379 59.471 58.100 -0.012 0.000 1.254 439 Y CB -0.868 37.582 38.460 -0.016 0.000 1.000 439 Y HN 0.425 nan 8.280 nan 0.000 0.554 440 T N -2.292 112.340 114.554 0.130 0.000 3.072 440 T HA -0.059 4.260 4.350 -0.052 0.000 0.266 440 T C 0.749 175.498 174.700 0.082 0.000 1.127 440 T CA 0.423 62.576 62.100 0.088 0.000 1.107 440 T CB -0.212 68.683 68.868 0.044 0.000 0.910 440 T HN 0.089 nan 8.240 nan 0.000 0.513 441 K N 2.118 122.571 120.400 0.088 0.000 2.229 441 K HA 0.467 4.756 4.320 -0.052 0.000 0.247 441 K C -1.242 175.432 176.600 0.124 0.000 1.117 441 K CA -0.294 56.046 56.287 0.089 0.000 1.036 441 K CB 1.206 33.749 32.500 0.072 0.000 1.654 441 K HN 0.161 nan 8.250 nan 0.000 0.405 442 V N 2.185 122.172 119.914 0.121 0.000 2.417 442 V HA 0.266 4.355 4.120 -0.052 0.000 0.291 442 V C 0.021 176.179 176.094 0.107 0.000 1.024 442 V CA -0.644 61.743 62.300 0.145 0.000 0.861 442 V CB 1.848 33.779 31.823 0.180 0.000 0.985 442 V HN 0.520 nan 8.190 nan 0.000 0.436 443 T N 3.405 117.995 114.554 0.061 0.000 2.807 443 T HA 0.253 4.572 4.350 -0.052 0.000 0.279 443 T C -0.413 174.230 174.700 -0.095 0.000 0.993 443 T CA -0.277 61.810 62.100 -0.021 0.000 0.970 443 T CB 1.331 70.150 68.868 -0.083 0.000 0.950 443 T HN 0.756 nan 8.240 nan 0.000 0.441 444 C N 5.440 124.625 119.300 -0.192 0.000 2.373 444 C HA 0.408 4.837 4.460 -0.052 0.000 0.354 444 C C 1.791 176.475 174.990 -0.510 0.000 1.249 444 C CA -0.588 58.090 59.018 -0.567 0.000 1.784 444 C CB -1.978 25.344 27.740 -0.696 0.000 2.408 444 C HN 0.981 nan 8.230 nan 0.000 0.542 445 L N 4.422 125.308 121.223 -0.561 0.000 2.209 445 L HA 0.024 4.332 4.340 -0.052 0.000 0.207 445 L C 2.394 178.937 176.870 -0.544 0.000 1.094 445 L CA 1.386 55.956 54.840 -0.449 0.000 0.790 445 L CB -0.316 41.503 42.059 -0.399 0.000 0.932 445 L HN 0.868 nan 8.230 nan 0.000 0.447 446 S N -2.686 112.566 115.700 -0.748 0.000 2.505 446 S HA -0.032 4.407 4.470 -0.052 0.000 0.216 446 S C 1.963 176.123 174.600 -0.733 0.000 1.018 446 S CA -0.079 57.551 58.200 -0.951 0.000 0.911 446 S CB -0.409 61.816 63.200 -1.625 0.000 0.818 446 S HN 0.313 nan 8.310 nan 0.000 0.497 447 C N 1.825 120.689 119.300 -0.728 0.000 2.391 447 C HA -0.015 4.414 4.460 -0.052 0.000 0.276 447 C C 2.468 177.145 174.990 -0.522 0.000 1.217 447 C CA 1.569 60.095 59.018 -0.819 0.000 1.766 447 C CB -1.038 26.020 27.740 -1.137 0.000 2.046 447 C HN 0.666 nan 8.230 nan 0.000 0.475 448 E N -0.470 119.519 120.200 -0.352 0.000 2.538 448 E HA 0.223 4.542 4.350 -0.052 0.000 0.207 448 E C 1.730 178.266 176.600 -0.106 0.000 1.002 448 E CA -0.115 56.178 56.400 -0.179 0.000 0.952 448 E CB -0.108 29.511 29.700 -0.136 0.000 1.031 448 E HN 0.518 nan 8.360 nan 0.000 0.476 449 L N 0.208 121.362 121.223 -0.116 0.000 1.970 449 L HA -0.088 4.220 4.340 -0.052 0.000 0.212 449 L C 1.042 177.914 176.870 0.003 0.000 1.071 449 L CA 1.000 55.814 54.840 -0.043 0.000 0.751 449 L CB -0.108 41.938 42.059 -0.022 0.000 0.889 449 L HN 0.114 nan 8.230 nan 0.000 0.432 450 N N -1.053 117.665 118.700 0.030 0.000 2.653 450 N HA 0.140 4.849 4.740 -0.052 0.000 0.261 450 N C -2.144 173.382 175.510 0.027 0.000 1.216 450 N CA -1.167 51.895 53.050 0.020 0.000 0.784 450 N CB 1.477 39.971 38.487 0.012 0.000 1.327 450 N HN -0.154 nan 8.380 nan 0.000 0.539 451 P HA -0.124 nan 4.420 nan 0.000 0.218 451 P C 0.943 178.280 177.300 0.061 0.000 1.149 451 P CA 1.063 64.197 63.100 0.057 0.000 0.817 451 P CB 0.799 32.548 31.700 0.082 0.000 0.785 452 E N 0.307 120.527 120.200 0.034 0.000 2.076 452 E HA -0.153 4.166 4.350 -0.052 0.000 0.190 452 E C 2.161 178.761 176.600 0.001 0.000 0.979 452 E CA 0.715 57.128 56.400 0.022 0.000 0.807 452 E CB 0.073 29.779 29.700 0.010 0.000 0.761 452 E HN 0.162 nan 8.360 nan 0.000 0.454 453 R N -1.192 119.296 120.500 -0.021 0.000 2.308 453 R HA 0.206 4.515 4.340 -0.052 0.000 0.202 453 R C -0.276 175.974 176.300 -0.083 0.000 0.898 453 R CA 0.146 56.211 56.100 -0.057 0.000 1.046 453 R CB 0.172 30.423 30.300 -0.081 0.000 1.026 453 R HN -0.062 nan 8.270 nan 0.000 0.512 454 c N 1.251 119.812 118.600 -0.065 0.000 2.383 454 c HA 0.432 4.971 4.570 -0.052 0.000 0.330 454 c C -0.402 173.658 174.090 -0.051 0.000 1.168 454 c CA -0.571 55.667 56.329 -0.153 0.000 1.374 454 c CB 1.247 43.631 42.510 -0.210 0.000 2.014 454 c HN 0.586 nan 8.230 nan 0.000 0.439 455 Q N 0.809 120.576 119.800 -0.055 0.000 2.055 455 Q HA 0.241 4.549 4.340 -0.052 0.000 0.226 455 Q C -1.179 174.875 176.000 0.090 0.000 0.805 455 Q CA -0.010 55.832 55.803 0.065 0.000 1.072 455 Q CB 1.284 30.083 28.738 0.101 0.000 1.219 455 Q HN 0.794 nan 8.270 nan 0.000 0.451 456 Y N 0.075 120.257 120.300 -0.196 0.000 2.287 456 Y HA 0.372 4.893 4.550 -0.048 0.000 0.325 456 Y C -1.919 173.810 175.900 -0.285 0.000 1.139 456 Y CA -0.899 57.110 58.100 -0.151 0.000 1.167 456 Y CB 0.949 39.331 38.460 -0.130 0.000 1.158 456 Y HN -0.036 nan 8.280 nan 0.000 0.434 457 Y N 2.599 122.810 120.300 -0.149 0.000 2.485 457 Y HA 0.691 5.211 4.550 -0.049 0.000 0.345 457 Y C 0.081 175.907 175.900 -0.123 0.000 0.998 457 Y CA -0.613 57.417 58.100 -0.117 0.000 1.059 457 Y CB 2.445 40.798 38.460 -0.178 0.000 1.234 457 Y HN 0.533 nan 8.280 nan 0.000 0.461 458 S N 0.856 116.624 115.700 0.113 0.000 2.671 458 S HA 0.872 5.311 4.470 -0.052 0.000 0.299 458 S C -1.595 173.048 174.600 0.071 0.000 1.116 458 S CA -0.785 57.464 58.200 0.081 0.000 0.912 458 S CB 1.900 65.164 63.200 0.106 0.000 1.130 458 S HN 0.586 nan 8.310 nan 0.000 0.501 459 V N 0.330 120.274 119.914 0.051 0.000 2.962 459 V HA 0.838 4.927 4.120 -0.052 0.000 0.313 459 V C -1.078 175.044 176.094 0.046 0.000 1.099 459 V CA -0.368 61.914 62.300 -0.029 0.000 0.971 459 V CB 2.335 34.009 31.823 -0.249 0.000 1.028 459 V HN 1.102 nan 8.190 nan 0.000 0.430 460 S N 4.946 120.672 115.700 0.043 0.000 2.733 460 S HA 0.653 5.091 4.470 -0.052 0.000 0.307 460 S C -1.102 173.606 174.600 0.180 0.000 1.127 460 S CA -0.391 57.948 58.200 0.231 0.000 1.097 460 S CB 0.312 63.721 63.200 0.349 0.000 1.003 460 S HN 0.493 nan 8.310 nan 0.000 0.477 461 F N 3.193 123.206 119.950 0.106 0.000 2.375 461 F HA 0.384 4.881 4.527 -0.051 0.000 0.333 461 F C 1.429 176.809 175.800 -0.700 0.000 1.104 461 F CA -0.291 57.599 58.000 -0.184 0.000 1.149 461 F CB 1.245 40.126 39.000 -0.199 0.000 1.190 461 F HN 0.599 nan 8.300 nan 0.000 0.533 462 S N 2.150 117.195 115.700 -1.092 0.000 2.589 462 S HA 0.059 4.498 4.470 -0.052 0.000 0.265 462 S C 1.359 175.734 174.600 -0.375 0.000 1.342 462 S CA -0.699 56.657 58.200 -1.406 0.000 1.005 462 S CB 0.727 63.240 63.200 -1.145 0.000 0.909 462 S HN 0.822 nan 8.310 nan 0.000 0.555 463 K N 0.403 120.730 120.400 -0.122 0.000 2.144 463 K HA -0.209 4.079 4.320 -0.052 0.000 0.209 463 K C 1.001 177.619 176.600 0.029 0.000 1.047 463 K CA 2.156 58.463 56.287 0.035 0.000 0.927 463 K CB -0.146 32.408 32.500 0.090 0.000 0.716 463 K HN 0.830 nan 8.250 nan 0.000 0.454 464 E N -1.852 118.352 120.200 0.007 0.000 3.157 464 E HA 0.244 4.562 4.350 -0.052 0.000 0.203 464 E C -0.537 176.051 176.600 -0.020 0.000 0.982 464 E CA 0.437 56.848 56.400 0.019 0.000 1.217 464 E CB 0.701 30.435 29.700 0.057 0.000 1.123 464 E HN 0.345 nan 8.360 nan 0.000 0.457 465 A N 0.482 123.264 122.820 -0.063 0.000 2.910 465 A HA -0.348 3.941 4.320 -0.052 0.000 0.267 465 A C 1.399 178.976 177.584 -0.011 0.000 1.310 465 A CA 1.744 53.739 52.037 -0.070 0.000 0.934 465 A CB -1.592 17.198 19.000 -0.350 0.000 1.057 465 A HN 0.407 nan 8.150 nan 0.000 0.742 466 K N -2.217 118.140 120.400 -0.073 0.000 2.217 466 K HA 0.045 4.334 4.320 -0.052 0.000 0.202 466 K C -0.002 176.287 176.600 -0.518 0.000 1.051 466 K CA 1.404 57.547 56.287 -0.240 0.000 0.952 466 K CB -0.001 32.362 32.500 -0.229 0.000 0.736 466 K HN 0.721 nan 8.250 nan 0.000 0.453 467 Y N -0.702 119.533 120.300 -0.107 0.000 2.545 467 Y HA 0.298 4.816 4.550 -0.052 0.000 0.348 467 Y C -0.684 175.102 175.900 -0.190 0.000 1.002 467 Y CA -1.563 56.446 58.100 -0.152 0.000 1.039 467 Y CB 1.680 40.078 38.460 -0.103 0.000 1.271 467 Y HN -0.056 nan 8.280 nan 0.000 0.467 468 Y N -0.791 119.501 120.300 -0.014 0.000 2.534 468 Y HA 0.532 5.051 4.550 -0.053 0.000 0.345 468 Y C -1.219 174.719 175.900 0.064 0.000 1.031 468 Y CA -1.422 56.543 58.100 -0.224 0.000 1.022 468 Y CB 1.510 39.358 38.460 -1.020 0.000 1.292 468 Y HN 0.593 nan 8.280 nan 0.000 0.459 469 Q N 3.658 123.607 119.800 0.248 0.000 2.257 469 Q HA 0.551 4.860 4.340 -0.052 0.000 0.255 469 Q C -1.739 174.366 176.000 0.175 0.000 0.920 469 Q CA -0.749 55.153 55.803 0.165 0.000 0.927 469 Q CB 1.386 30.177 28.738 0.087 0.000 1.229 469 Q HN 0.971 nan 8.270 nan 0.000 0.433 470 L N 3.913 125.257 121.223 0.202 0.000 2.295 470 L HA 0.528 4.836 4.340 -0.052 0.000 0.285 470 L C -0.009 176.900 176.870 0.065 0.000 1.035 470 L CA -0.525 54.417 54.840 0.170 0.000 0.806 470 L CB 1.524 43.712 42.059 0.213 0.000 1.214 470 L HN 0.557 nan 8.230 nan 0.000 0.426 471 R N 3.127 123.626 120.500 -0.001 0.000 2.246 471 R HA 0.336 4.645 4.340 -0.052 0.000 0.332 471 R C -0.948 175.181 176.300 -0.286 0.000 0.974 471 R CA -0.482 55.426 56.100 -0.319 0.000 0.837 471 R CB 1.186 31.346 30.300 -0.232 0.000 1.145 471 R HN 0.734 nan 8.270 nan 0.000 0.467 472 c N 3.832 122.141 118.600 -0.484 0.000 2.325 472 c HA 0.421 4.960 4.570 -0.052 0.000 0.347 472 c C 0.757 174.601 174.090 -0.411 0.000 1.263 472 c CA -0.326 55.610 56.329 -0.654 0.000 1.806 472 c CB 0.599 42.707 42.510 -0.671 0.000 2.405 472 c HN 0.958 nan 8.230 nan 0.000 0.537 473 S N 3.777 119.323 115.700 -0.257 0.000 2.559 473 S HA 0.252 4.690 4.470 -0.052 0.000 0.226 473 S C 1.236 175.772 174.600 -0.107 0.000 1.000 473 S CA 0.236 58.356 58.200 -0.133 0.000 0.948 473 S CB 0.148 63.293 63.200 -0.092 0.000 0.870 473 S HN 1.159 nan 8.310 nan 0.000 0.497 474 G N 3.339 112.044 108.800 -0.157 0.000 2.492 474 G HA2 0.019 3.948 3.960 -0.052 0.000 0.353 474 G HA3 0.019 3.948 3.960 -0.052 0.000 0.353 474 G C -1.335 173.545 174.900 -0.033 0.000 1.297 474 G CA -0.328 44.715 45.100 -0.094 0.000 1.192 474 G HN 0.169 nan 8.290 nan 0.000 0.677 475 P HA -0.023 nan 4.420 nan 0.000 0.216 475 P C 1.406 178.718 177.300 0.019 0.000 1.153 475 P CA 1.662 64.782 63.100 0.033 0.000 0.858 475 P CB -0.315 31.398 31.700 0.020 0.000 0.789 476 G N -0.235 108.512 108.800 -0.088 0.000 2.553 476 G HA2 0.305 4.234 3.960 -0.052 0.000 0.278 476 G HA3 0.305 4.234 3.960 -0.052 0.000 0.278 476 G C -0.541 174.121 174.900 -0.397 0.000 1.349 476 G CA -0.421 44.543 45.100 -0.226 0.000 1.037 476 G HN -0.014 nan 8.290 nan 0.000 0.508 477 L N 1.252 122.168 121.223 -0.511 0.000 2.490 477 L HA 0.200 4.508 4.340 -0.052 0.000 0.274 477 L C -1.619 175.111 176.870 -0.234 0.000 1.201 477 L CA -1.347 53.191 54.840 -0.503 0.000 0.869 477 L CB 0.188 42.029 42.059 -0.364 0.000 1.123 477 L HN 0.232 nan 8.230 nan 0.000 0.484 478 P HA 0.065 nan 4.420 nan 0.000 0.264 478 P C -0.966 176.302 177.300 -0.054 0.000 1.179 478 P CA 0.016 63.073 63.100 -0.072 0.000 0.763 478 P CB 0.499 32.259 31.700 0.100 0.000 0.806 479 L N 4.765 125.873 121.223 -0.192 0.000 2.438 479 L HA 0.478 4.787 4.340 -0.052 0.000 0.270 479 L C -1.760 174.955 176.870 -0.258 0.000 0.972 479 L CA -0.630 54.145 54.840 -0.109 0.000 0.831 479 L CB 1.162 43.159 42.059 -0.103 0.000 1.273 479 L HN 0.253 nan 8.230 nan 0.000 0.405 480 Y N 2.936 123.189 120.300 -0.080 0.000 2.328 480 Y HA 0.698 5.216 4.550 -0.054 0.000 0.336 480 Y C 0.367 176.145 175.900 -0.203 0.000 0.960 480 Y CA -0.484 57.543 58.100 -0.122 0.000 1.134 480 Y CB 2.110 40.473 38.460 -0.163 0.000 1.166 480 Y HN 0.669 nan 8.280 nan 0.000 0.464 481 T N 1.487 116.012 114.554 -0.048 0.000 2.906 481 T HA 0.688 5.007 4.350 -0.052 0.000 0.295 481 T C -1.278 173.270 174.700 -0.253 0.000 1.075 481 T CA -0.935 61.065 62.100 -0.168 0.000 1.005 481 T CB 1.804 70.614 68.868 -0.097 0.000 1.136 481 T HN 0.548 nan 8.240 nan 0.000 0.498 482 L N 1.817 122.763 121.223 -0.462 0.000 2.334 482 L HA 0.610 4.918 4.340 -0.052 0.000 0.276 482 L C -0.673 175.762 176.870 -0.725 0.000 1.014 482 L CA -0.854 53.754 54.840 -0.387 0.000 0.815 482 L CB 1.430 43.364 42.059 -0.208 0.000 1.268 482 L HN 0.833 nan 8.230 nan 0.000 0.428 483 H N 1.178 120.032 119.070 -0.361 0.000 2.980 483 H HA 0.328 4.852 4.556 -0.053 0.000 0.367 483 H C -0.895 174.193 175.328 -0.401 0.000 1.206 483 H CA -0.778 54.955 56.048 -0.524 0.000 1.126 483 H CB 2.288 31.409 29.762 -1.068 0.000 1.838 483 H HN 0.512 nan 8.280 nan 0.000 0.552 484 S N 0.086 115.703 115.700 -0.138 0.000 2.451 484 S HA 0.167 4.605 4.470 -0.052 0.000 0.301 484 S C 0.920 175.445 174.600 -0.124 0.000 1.116 484 S CA -0.442 57.639 58.200 -0.198 0.000 1.093 484 S CB 1.494 64.601 63.200 -0.155 0.000 1.017 484 S HN 0.660 nan 8.310 nan 0.000 0.482 485 S N 2.482 118.146 115.700 -0.060 0.000 2.522 485 S HA -0.053 4.386 4.470 -0.052 0.000 0.227 485 S C 1.517 176.155 174.600 0.064 0.000 0.986 485 S CA 0.462 58.762 58.200 0.167 0.000 0.929 485 S CB -0.399 62.957 63.200 0.260 0.000 0.769 485 S HN 0.695 nan 8.310 nan 0.000 0.529 486 V N 3.635 123.533 119.914 -0.026 0.000 2.343 486 V HA -0.196 3.893 4.120 -0.052 0.000 0.247 486 V C 1.693 177.786 176.094 -0.002 0.000 1.051 486 V CA 2.396 64.689 62.300 -0.011 0.000 1.036 486 V CB -0.615 31.182 31.823 -0.044 0.000 0.654 486 V HN 0.831 nan 8.190 nan 0.000 0.451 487 N N -2.706 115.988 118.700 -0.011 0.000 2.166 487 N HA 0.081 4.790 4.740 -0.052 0.000 0.213 487 N C 0.371 175.879 175.510 -0.002 0.000 1.222 487 N CA 0.547 53.593 53.050 -0.007 0.000 0.900 487 N CB 0.186 38.667 38.487 -0.009 0.000 1.055 487 N HN 0.414 nan 8.380 nan 0.000 0.515 488 D N 0.087 120.498 120.400 0.018 0.000 2.983 488 D HA -0.193 4.416 4.640 -0.052 0.000 0.225 488 D C -0.484 175.840 176.300 0.041 0.000 1.174 488 D CA 1.075 55.103 54.000 0.047 0.000 0.831 488 D CB -1.124 39.688 40.800 0.020 0.000 1.104 488 D HN 0.767 nan 8.370 nan 0.000 0.421 489 K N 0.035 120.451 120.400 0.026 0.000 2.154 489 K HA 0.493 4.781 4.320 -0.052 0.000 0.264 489 K C 0.695 177.323 176.600 0.047 0.000 1.008 489 K CA -0.253 56.050 56.287 0.027 0.000 0.937 489 K CB 1.059 33.558 32.500 -0.002 0.000 1.002 489 K HN -0.053 nan 8.250 nan 0.000 0.469 490 G N 2.746 111.563 108.800 0.027 0.000 2.358 490 G HA2 0.182 4.110 3.960 -0.052 0.000 0.273 490 G HA3 0.182 4.110 3.960 -0.052 0.000 0.273 490 G C 0.352 175.145 174.900 -0.177 0.000 1.215 490 G CA -0.735 44.283 45.100 -0.136 0.000 0.910 490 G HN 0.672 nan 8.290 nan 0.000 0.467 491 L N 1.851 122.918 121.223 -0.261 0.000 2.049 491 L HA 0.254 4.563 4.340 -0.052 0.000 0.203 491 L C 1.712 178.493 176.870 -0.147 0.000 1.074 491 L CA 1.011 55.760 54.840 -0.151 0.000 0.749 491 L CB -0.105 41.892 42.059 -0.104 0.000 0.907 491 L HN 0.748 nan 8.230 nan 0.000 0.439 492 R N -1.904 118.467 120.500 -0.215 0.000 2.712 492 R HA 0.375 4.683 4.340 -0.052 0.000 0.272 492 R C -1.624 174.545 176.300 -0.218 0.000 1.032 492 R CA -0.867 55.131 56.100 -0.170 0.000 0.874 492 R CB 1.347 31.578 30.300 -0.114 0.000 1.256 492 R HN -0.271 nan 8.270 nan 0.000 0.468 493 V N 3.455 123.271 119.914 -0.162 0.000 2.455 493 V HA 0.131 4.220 4.120 -0.052 0.000 0.273 493 V C 1.383 177.343 176.094 -0.223 0.000 1.045 493 V CA -0.227 61.977 62.300 -0.160 0.000 0.976 493 V CB 0.917 32.684 31.823 -0.094 0.000 0.993 493 V HN 0.656 nan 8.190 nan 0.000 0.475 494 L N 2.707 123.717 121.223 -0.355 0.000 2.145 494 L HA 0.256 4.565 4.340 -0.052 0.000 0.201 494 L C 0.815 177.411 176.870 -0.457 0.000 1.075 494 L CA 0.798 55.223 54.840 -0.693 0.000 0.773 494 L CB 0.197 41.440 42.059 -1.362 0.000 0.936 494 L HN 0.678 nan 8.230 nan 0.000 0.451 495 E N -0.058 120.018 120.200 -0.207 0.000 2.307 495 E HA 0.087 4.406 4.350 -0.052 0.000 0.280 495 E C -1.141 175.502 176.600 0.072 0.000 0.900 495 E CA -0.376 56.019 56.400 -0.009 0.000 0.790 495 E CB 1.088 30.802 29.700 0.023 0.000 1.261 495 E HN 0.161 nan 8.360 nan 0.000 0.405 496 D N 3.441 123.866 120.400 0.041 0.000 2.440 496 D HA 0.089 4.697 4.640 -0.052 0.000 0.216 496 D C -0.410 175.906 176.300 0.026 0.000 1.150 496 D CA -0.326 53.691 54.000 0.028 0.000 0.832 496 D CB -0.132 40.665 40.800 -0.004 0.000 0.992 496 D HN 0.470 nan 8.370 nan 0.000 0.502 497 N N 0.886 119.617 118.700 0.052 0.000 2.714 497 N HA -0.198 4.510 4.740 -0.052 0.000 0.252 497 N C 0.861 176.383 175.510 0.020 0.000 1.014 497 N CA 0.916 53.992 53.050 0.043 0.000 0.735 497 N CB -1.059 37.450 38.487 0.037 0.000 0.924 497 N HN 0.505 nan 8.380 nan 0.000 0.540 498 S N -1.371 114.343 115.700 0.023 0.000 2.414 498 S HA 0.082 4.521 4.470 -0.052 0.000 0.227 498 S C 2.085 176.703 174.600 0.030 0.000 1.022 498 S CA 0.593 58.803 58.200 0.015 0.000 0.958 498 S CB 0.040 63.248 63.200 0.013 0.000 0.797 498 S HN 0.497 nan 8.310 nan 0.000 0.493 499 A N 2.193 125.040 122.820 0.045 0.000 1.883 499 A HA 0.023 4.312 4.320 -0.052 0.000 0.217 499 A C 2.216 179.849 177.584 0.081 0.000 1.186 499 A CA 1.680 53.753 52.037 0.061 0.000 0.624 499 A CB -0.919 18.119 19.000 0.064 0.000 0.822 499 A HN 0.510 nan 8.150 nan 0.000 0.444 500 L N 0.211 121.485 121.223 0.085 0.000 2.093 500 L HA -0.118 4.191 4.340 -0.052 0.000 0.208 500 L C 1.860 178.769 176.870 0.065 0.000 1.085 500 L CA 2.711 57.618 54.840 0.113 0.000 0.755 500 L CB -0.727 41.398 42.059 0.111 0.000 0.904 500 L HN 0.493 nan 8.230 nan 0.000 0.435 501 D N -0.769 119.640 120.400 0.015 0.000 2.149 501 D HA -0.233 4.375 4.640 -0.052 0.000 0.198 501 D C 2.185 178.494 176.300 0.015 0.000 0.990 501 D CA 1.357 55.348 54.000 -0.015 0.000 0.839 501 D CB 0.072 40.852 40.800 -0.033 0.000 0.948 501 D HN 0.297 nan 8.370 nan 0.000 0.460 502 K N -0.626 119.797 120.400 0.039 0.000 2.009 502 K HA -0.130 4.158 4.320 -0.052 0.000 0.210 502 K C 2.237 178.886 176.600 0.082 0.000 1.049 502 K CA 1.341 57.660 56.287 0.053 0.000 0.929 502 K CB -0.097 32.438 32.500 0.058 0.000 0.714 502 K HN 0.240 nan 8.250 nan 0.000 0.440 503 M N 0.140 119.817 119.600 0.127 0.000 2.159 503 M HA -0.163 4.286 4.480 -0.052 0.000 0.263 503 M C 1.719 178.116 176.300 0.160 0.000 1.063 503 M CA 1.053 56.481 55.300 0.214 0.000 1.110 503 M CB -0.078 32.747 32.600 0.375 0.000 1.374 503 M HN 0.083 nan 8.290 nan 0.000 0.411 504 L N 0.131 121.383 121.223 0.048 0.000 2.376 504 L HA -0.090 4.219 4.340 -0.052 0.000 0.219 504 L C 2.274 179.138 176.870 -0.009 0.000 1.133 504 L CA 1.516 56.324 54.840 -0.055 0.000 0.816 504 L CB -1.067 40.940 42.059 -0.086 0.000 0.933 504 L HN 0.376 nan 8.230 nan 0.000 0.449 505 Q N -0.639 119.174 119.800 0.021 0.000 2.368 505 Q HA -0.218 4.090 4.340 -0.052 0.000 0.210 505 Q C 1.482 177.508 176.000 0.043 0.000 0.982 505 Q CA 1.324 57.141 55.803 0.023 0.000 0.884 505 Q CB 0.010 28.764 28.738 0.027 0.000 0.933 505 Q HN 0.632 nan 8.270 nan 0.000 0.460 506 N N -1.051 117.688 118.700 0.065 0.000 2.159 506 N HA 0.076 4.785 4.740 -0.052 0.000 0.217 506 N C -0.819 174.751 175.510 0.100 0.000 1.223 506 N CA -0.229 52.879 53.050 0.096 0.000 0.896 506 N CB 1.346 39.907 38.487 0.123 0.000 1.064 506 N HN -0.035 nan 8.380 nan 0.000 0.518 507 V N 1.374 121.328 119.914 0.066 0.000 2.459 507 V HA 0.307 4.396 4.120 -0.052 0.000 0.295 507 V C -0.540 175.578 176.094 0.041 0.000 1.029 507 V CA -0.521 61.819 62.300 0.067 0.000 0.874 507 V CB 1.639 33.484 31.823 0.037 0.000 0.985 507 V HN 0.094 nan 8.190 nan 0.000 0.438 508 Q N 6.669 126.509 119.800 0.067 0.000 2.580 508 Q HA 0.221 4.530 4.340 -0.052 0.000 0.232 508 Q C -0.216 175.785 176.000 0.001 0.000 1.326 508 Q CA 0.020 55.840 55.803 0.029 0.000 0.887 508 Q CB 0.156 28.945 28.738 0.084 0.000 1.617 508 Q HN 0.635 nan 8.270 nan 0.000 0.554 509 M N 3.146 122.726 119.600 -0.033 0.000 2.241 509 M HA 0.296 4.745 4.480 -0.052 0.000 0.335 509 M C -1.956 174.298 176.300 -0.076 0.000 1.122 509 M CA -2.376 52.895 55.300 -0.049 0.000 1.164 509 M CB -0.151 32.421 32.600 -0.047 0.000 1.459 509 M HN 0.261 nan 8.290 nan 0.000 0.461 510 P HA 0.237 nan 4.420 nan 0.000 0.276 510 P C -0.763 176.473 177.300 -0.108 0.000 1.252 510 P CA -0.388 62.642 63.100 -0.117 0.000 0.802 510 P CB 0.555 32.169 31.700 -0.145 0.000 1.035 511 S N -0.214 115.408 115.700 -0.129 0.000 2.718 511 S HA 0.545 4.984 4.470 -0.052 0.000 0.300 511 S C -0.404 174.114 174.600 -0.137 0.000 1.117 511 S CA -0.789 57.347 58.200 -0.108 0.000 1.002 511 S CB 1.506 64.644 63.200 -0.104 0.000 1.092 511 S HN 0.493 nan 8.310 nan 0.000 0.542 512 K N 0.597 120.938 120.400 -0.097 0.000 2.323 512 K HA 0.353 4.642 4.320 -0.052 0.000 0.259 512 K C -1.188 175.359 176.600 -0.088 0.000 0.947 512 K CA -0.504 55.725 56.287 -0.096 0.000 0.819 512 K CB 1.186 33.651 32.500 -0.057 0.000 1.109 512 K HN 0.716 nan 8.250 nan 0.000 0.429 513 K N 6.011 126.345 120.400 -0.110 0.000 2.263 513 K HA 0.263 4.552 4.320 -0.052 0.000 0.272 513 K C -1.207 175.352 176.600 -0.067 0.000 1.033 513 K CA -0.577 55.659 56.287 -0.085 0.000 0.884 513 K CB 0.830 33.266 32.500 -0.107 0.000 1.107 513 K HN 0.570 nan 8.250 nan 0.000 0.460 514 L N 5.020 126.219 121.223 -0.040 0.000 2.316 514 L HA 0.399 4.708 4.340 -0.052 0.000 0.280 514 L C -1.137 175.736 176.870 0.007 0.000 1.006 514 L CA -0.158 54.686 54.840 0.006 0.000 0.836 514 L CB 1.050 43.178 42.059 0.114 0.000 1.221 514 L HN 0.847 nan 8.230 nan 0.000 0.418 515 D N 2.941 123.145 120.400 -0.327 0.000 2.895 515 D HA 0.511 5.120 4.640 -0.052 0.000 0.320 515 D C -1.332 174.564 176.300 -0.673 0.000 1.249 515 D CA 0.014 53.734 54.000 -0.467 0.000 0.997 515 D CB 2.195 42.699 40.800 -0.494 0.000 1.430 515 D HN 0.218 nan 8.370 nan 0.000 0.558 516 F N -0.321 119.252 119.950 -0.628 0.000 2.675 516 F HA 0.760 5.256 4.527 -0.053 0.000 0.324 516 F C -0.864 175.007 175.800 0.119 0.000 1.106 516 F CA -1.084 56.655 58.000 -0.435 0.000 0.970 516 F CB 0.882 39.158 39.000 -1.206 0.000 1.385 516 F HN 0.255 nan 8.300 nan 0.000 0.489 517 I N 0.131 120.978 120.570 0.462 0.000 2.769 517 I HA 0.583 4.722 4.170 -0.052 0.000 0.298 517 I C -1.259 175.104 176.117 0.410 0.000 1.128 517 I CA -1.254 60.265 61.300 0.364 0.000 1.031 517 I CB 2.313 40.508 38.000 0.325 0.000 1.235 517 I HN 0.475 nan 8.210 nan 0.000 0.423 518 I N 5.277 126.021 120.570 0.290 0.000 2.395 518 I HA 0.470 4.609 4.170 -0.052 0.000 0.289 518 I C -0.470 175.785 176.117 0.230 0.000 1.023 518 I CA -0.359 61.078 61.300 0.228 0.000 1.350 518 I CB 0.923 39.020 38.000 0.162 0.000 1.409 518 I HN 0.522 nan 8.210 nan 0.000 0.507 519 L N 6.266 127.655 121.223 0.278 0.000 2.516 519 L HA 0.365 4.673 4.340 -0.052 0.000 0.267 519 L C 0.081 177.099 176.870 0.246 0.000 0.957 519 L CA -0.584 54.430 54.840 0.291 0.000 0.860 519 L CB 1.589 43.906 42.059 0.429 0.000 1.265 519 L HN 0.555 nan 8.230 nan 0.000 0.403 520 N N 3.050 121.832 118.700 0.137 0.000 2.714 520 N HA -0.209 4.500 4.740 -0.052 0.000 0.252 520 N C 0.091 175.636 175.510 0.059 0.000 1.014 520 N CA 1.453 54.555 53.050 0.086 0.000 0.735 520 N CB -0.507 38.031 38.487 0.084 0.000 0.924 520 N HN 0.871 nan 8.380 nan 0.000 0.540 521 E N -2.856 117.375 120.200 0.052 0.000 2.660 521 E HA -0.245 4.073 4.350 -0.052 0.000 0.260 521 E C -0.637 175.948 176.600 -0.024 0.000 1.122 521 E CA 1.322 57.735 56.400 0.021 0.000 0.755 521 E CB -1.369 28.338 29.700 0.011 0.000 1.345 521 E HN 0.454 nan 8.360 nan 0.000 0.421 522 T N 0.509 115.034 114.554 -0.049 0.000 2.829 522 T HA 0.388 4.707 4.350 -0.052 0.000 0.280 522 T C -0.080 174.421 174.700 -0.331 0.000 0.999 522 T CA -0.940 61.018 62.100 -0.237 0.000 0.983 522 T CB 1.534 70.172 68.868 -0.384 0.000 0.968 522 T HN 0.007 nan 8.240 nan 0.000 0.446 523 K N 2.038 122.211 120.400 -0.379 0.000 2.322 523 K HA 0.462 4.751 4.320 -0.052 0.000 0.283 523 K C -1.071 175.262 176.600 -0.445 0.000 1.042 523 K CA -0.167 55.923 56.287 -0.328 0.000 0.958 523 K CB 0.386 32.575 32.500 -0.518 0.000 0.984 523 K HN 0.386 nan 8.250 nan 0.000 0.473 524 F N 1.924 121.953 119.950 0.132 0.000 2.518 524 F HA 0.316 4.811 4.527 -0.053 0.000 0.323 524 F C -0.623 175.278 175.800 0.168 0.000 1.129 524 F CA -0.820 57.257 58.000 0.129 0.000 0.920 524 F CB 0.949 40.027 39.000 0.129 0.000 1.160 524 F HN 0.430 nan 8.300 nan 0.000 0.440 525 W N 3.948 125.374 121.300 0.211 0.000 2.313 525 W HA 0.514 5.142 4.660 -0.052 0.000 0.328 525 W C -0.516 176.168 176.519 0.275 0.000 1.197 525 W CA -0.629 56.858 57.345 0.238 0.000 1.235 525 W CB 0.613 30.156 29.460 0.139 0.000 1.158 525 W HN 0.458 nan 8.180 nan 0.000 0.578 526 Y N -0.204 120.422 120.300 0.543 0.000 2.605 526 Y HA 0.713 5.231 4.550 -0.053 0.000 0.343 526 Y C -0.739 175.383 175.900 0.370 0.000 1.036 526 Y CA -1.871 56.549 58.100 0.534 0.000 1.065 526 Y CB 1.134 40.062 38.460 0.779 0.000 1.288 526 Y HN 0.559 nan 8.280 nan 0.000 0.481 527 Q N 1.732 121.776 119.800 0.407 0.000 2.413 527 Q HA 0.737 5.046 4.340 -0.052 0.000 0.276 527 Q C -1.718 174.396 176.000 0.189 0.000 1.099 527 Q CA -1.158 54.764 55.803 0.199 0.000 0.814 527 Q CB 3.185 31.998 28.738 0.124 0.000 1.379 527 Q HN 0.862 nan 8.270 nan 0.000 0.436 528 M N 2.484 122.116 119.600 0.053 0.000 2.197 528 M HA 0.402 4.850 4.480 -0.052 0.000 0.301 528 M C -1.234 174.978 176.300 -0.146 0.000 0.987 528 M CA -0.870 54.379 55.300 -0.084 0.000 0.921 528 M CB 2.001 34.494 32.600 -0.179 0.000 1.569 528 M HN 0.596 nan 8.290 nan 0.000 0.431 529 I N 5.466 125.952 120.570 -0.140 0.000 2.308 529 I HA 0.263 4.402 4.170 -0.052 0.000 0.293 529 I C -0.388 175.578 176.117 -0.252 0.000 1.078 529 I CA -0.080 61.116 61.300 -0.173 0.000 1.292 529 I CB -0.268 37.650 38.000 -0.138 0.000 1.423 529 I HN 0.638 nan 8.210 nan 0.000 0.493 530 L N 8.625 129.651 121.223 -0.328 0.000 2.295 530 L HA 0.429 4.737 4.340 -0.052 0.000 0.285 530 L C -2.119 174.568 176.870 -0.304 0.000 1.035 530 L CA -1.862 52.691 54.840 -0.479 0.000 0.806 530 L CB 1.128 42.721 42.059 -0.777 0.000 1.214 530 L HN 0.266 nan 8.230 nan 0.000 0.426 531 P HA 0.012 nan 4.420 nan 0.000 0.267 531 P C -2.425 174.854 177.300 -0.035 0.000 1.201 531 P CA -0.755 62.295 63.100 -0.083 0.000 0.775 531 P CB -0.352 31.370 31.700 0.036 0.000 0.854 532 P HA -0.071 nan 4.420 nan 0.000 0.269 532 P C -0.048 177.225 177.300 -0.045 0.000 1.209 532 P CA 0.634 63.651 63.100 -0.140 0.000 0.776 532 P CB -0.008 31.576 31.700 -0.194 0.000 0.876 533 H N -1.396 117.723 119.070 0.081 0.000 2.791 533 H HA -0.209 4.316 4.556 -0.052 0.000 0.302 533 H C 0.126 175.522 175.328 0.112 0.000 1.198 533 H CA 0.145 56.241 56.048 0.080 0.000 1.145 533 H CB -2.393 27.407 29.762 0.063 0.000 1.385 533 H HN 0.427 nan 8.280 nan 0.000 0.409 534 F N 2.568 122.523 119.950 0.008 0.000 2.612 534 F HA 0.108 4.604 4.527 -0.052 0.000 0.389 534 F C 0.530 176.344 175.800 0.023 0.000 1.055 534 F CA 0.014 57.975 58.000 -0.063 0.000 1.232 534 F CB 0.509 39.343 39.000 -0.278 0.000 1.044 534 F HN 0.144 nan 8.300 nan 0.000 0.560 535 D N 6.361 126.398 120.400 -0.605 0.000 2.440 535 D HA 0.170 4.779 4.640 -0.052 0.000 0.239 535 D C 0.615 176.480 176.300 -0.725 0.000 1.084 535 D CA -0.388 53.317 54.000 -0.493 0.000 0.843 535 D CB 1.381 42.097 40.800 -0.140 0.000 1.097 535 D HN 0.677 nan 8.370 nan 0.000 0.531 536 K N 0.875 120.869 120.400 -0.678 0.000 2.160 536 K HA -0.146 4.143 4.320 -0.052 0.000 0.206 536 K C 1.741 178.333 176.600 -0.013 0.000 1.047 536 K CA 1.438 57.541 56.287 -0.308 0.000 0.930 536 K CB 0.112 32.575 32.500 -0.062 0.000 0.720 536 K HN 0.374 nan 8.250 nan 0.000 0.450 537 S N 0.447 116.110 115.700 -0.062 0.000 2.496 537 S HA -0.003 4.436 4.470 -0.052 0.000 0.224 537 S C 0.922 175.512 174.600 -0.018 0.000 0.996 537 S CA 0.080 58.272 58.200 -0.014 0.000 0.927 537 S CB 0.100 63.280 63.200 -0.034 0.000 0.774 537 S HN 0.110 nan 8.310 nan 0.000 0.524 538 K N 1.451 121.823 120.400 -0.046 0.000 2.138 538 K HA 0.202 4.491 4.320 -0.052 0.000 0.251 538 K C -0.611 175.970 176.600 -0.033 0.000 1.015 538 K CA -0.320 55.889 56.287 -0.129 0.000 0.917 538 K CB 0.392 32.682 32.500 -0.349 0.000 1.021 538 K HN 0.000 nan 8.250 nan 0.000 0.485 539 K N 3.429 123.756 120.400 -0.122 0.000 2.419 539 K HA 0.170 4.459 4.320 -0.052 0.000 0.244 539 K C -1.036 175.519 176.600 -0.075 0.000 1.045 539 K CA -0.322 55.958 56.287 -0.013 0.000 1.004 539 K CB 0.410 32.889 32.500 -0.035 0.000 1.376 539 K HN 0.425 nan 8.250 nan 0.000 0.460 540 Y N 3.026 123.364 120.300 0.063 0.000 2.304 540 Y HA 0.141 4.660 4.550 -0.053 0.000 0.327 540 Y C -1.527 174.318 175.900 -0.093 0.000 1.209 540 Y CA -1.862 56.243 58.100 0.010 0.000 1.299 540 Y CB 0.267 38.784 38.460 0.095 0.000 1.249 540 Y HN 0.403 nan 8.280 nan 0.000 0.519 541 P HA 0.122 nan 4.420 nan 0.000 0.272 541 P C -1.061 176.069 177.300 -0.283 0.000 1.223 541 P CA -0.173 62.652 63.100 -0.457 0.000 0.784 541 P CB 1.376 32.429 31.700 -1.078 0.000 0.923 542 L N 2.425 123.512 121.223 -0.227 0.000 2.386 542 L HA 0.527 4.836 4.340 -0.052 0.000 0.271 542 L C -1.215 175.805 176.870 0.251 0.000 0.993 542 L CA -1.196 53.664 54.840 0.034 0.000 0.819 542 L CB 1.853 43.962 42.059 0.083 0.000 1.294 542 L HN 0.146 nan 8.230 nan 0.000 0.414 543 L N 5.078 126.477 121.223 0.293 0.000 2.305 543 L HA 0.493 4.802 4.340 -0.052 0.000 0.284 543 L C -1.160 175.939 176.870 0.382 0.000 1.013 543 L CA -0.313 54.773 54.840 0.410 0.000 0.819 543 L CB 1.537 43.803 42.059 0.345 0.000 1.227 543 L HN 0.593 nan 8.230 nan 0.000 0.417 544 L N 5.206 126.705 121.223 0.459 0.000 2.283 544 L HA 0.367 4.676 4.340 -0.052 0.000 0.287 544 L C -0.514 176.595 176.870 0.398 0.000 1.073 544 L CA 0.168 55.267 54.840 0.432 0.000 0.822 544 L CB 0.468 42.822 42.059 0.493 0.000 1.186 544 L HN 0.611 nan 8.230 nan 0.000 0.436 545 D N 4.345 124.961 120.400 0.359 0.000 2.339 545 D HA 0.211 4.820 4.640 -0.052 0.000 0.241 545 D C -0.992 175.406 176.300 0.164 0.000 1.183 545 D CA 0.072 54.221 54.000 0.247 0.000 0.859 545 D CB 1.297 42.299 40.800 0.338 0.000 1.067 545 D HN 0.294 nan 8.370 nan 0.000 0.484 546 V N 5.603 125.543 119.914 0.043 0.000 2.680 546 V HA 0.400 4.488 4.120 -0.052 0.000 0.309 546 V C -0.801 175.390 176.094 0.162 0.000 1.052 546 V CA -0.435 61.946 62.300 0.134 0.000 0.908 546 V CB 1.744 33.639 31.823 0.119 0.000 1.001 546 V HN 0.683 nan 8.190 nan 0.000 0.431 547 Y N 4.990 125.368 120.300 0.130 0.000 3.105 547 Y HA 0.522 5.041 4.550 -0.051 0.000 0.216 547 Y C 1.593 177.647 175.900 0.257 0.000 0.943 547 Y CA 1.141 59.346 58.100 0.175 0.000 1.535 547 Y CB 0.323 38.866 38.460 0.140 0.000 1.475 547 Y HN 0.896 nan 8.280 nan 0.000 0.435 548 A N 0.865 123.841 122.820 0.260 0.000 2.861 548 A HA -0.186 4.103 4.320 -0.052 0.000 0.261 548 A C 0.961 178.456 177.584 -0.148 0.000 1.351 548 A CA 0.916 53.042 52.037 0.149 0.000 0.904 548 A CB -2.505 16.628 19.000 0.222 0.000 1.076 548 A HN 0.893 nan 8.150 nan 0.000 0.729 549 G N -0.890 107.594 108.800 -0.525 0.000 2.667 549 G HA2 0.463 4.392 3.960 -0.052 0.000 0.250 549 G HA3 0.463 4.392 3.960 -0.052 0.000 0.250 549 G C -2.242 172.353 174.900 -0.508 0.000 1.212 549 G CA -0.688 43.684 45.100 -1.213 0.000 0.874 549 G HN 0.305 nan 8.290 nan 0.000 0.561 550 P HA 0.099 nan 4.420 nan 0.000 0.263 550 P C 0.551 177.686 177.300 -0.276 0.000 1.195 550 P CA 0.071 62.858 63.100 -0.521 0.000 0.762 550 P CB 0.726 31.653 31.700 -1.289 0.000 0.799 551 C N 2.601 121.805 119.300 -0.161 0.000 4.456 551 C HA -0.151 4.278 4.460 -0.052 0.000 0.288 551 C C 1.006 176.016 174.990 0.033 0.000 1.374 551 C CA 1.096 59.987 59.018 -0.211 0.000 1.956 551 C CB -2.729 24.715 27.740 -0.493 0.000 1.255 551 C HN 0.796 nan 8.230 nan 0.000 0.788 552 S N 0.015 115.800 115.700 0.141 0.000 2.632 552 S HA 0.571 5.010 4.470 -0.052 0.000 0.267 552 S C -0.598 174.174 174.600 0.287 0.000 1.276 552 S CA 0.206 58.580 58.200 0.291 0.000 0.998 552 S CB 1.605 65.046 63.200 0.403 0.000 0.953 552 S HN 0.850 nan 8.310 nan 0.000 0.547 553 Q N -0.110 119.877 119.800 0.311 0.000 2.309 553 Q HA 0.364 4.673 4.340 -0.052 0.000 0.254 553 Q C -0.797 175.321 176.000 0.198 0.000 0.938 553 Q CA -0.611 55.361 55.803 0.282 0.000 0.789 553 Q CB 1.086 30.038 28.738 0.357 0.000 1.313 553 Q HN 0.672 nan 8.270 nan 0.000 0.438 554 K N 1.050 121.567 120.400 0.195 0.000 2.373 554 K HA 0.364 4.652 4.320 -0.052 0.000 0.200 554 K C -0.545 176.153 176.600 0.164 0.000 1.054 554 K CA 0.314 56.707 56.287 0.176 0.000 1.065 554 K CB 1.611 34.247 32.500 0.227 0.000 0.886 554 K HN 0.499 nan 8.250 nan 0.000 0.546 555 A N 2.646 125.568 122.820 0.170 0.000 2.293 555 A HA 0.474 4.762 4.320 -0.052 0.000 0.312 555 A C -0.830 176.810 177.584 0.093 0.000 1.309 555 A CA -0.555 51.582 52.037 0.165 0.000 0.839 555 A CB 0.296 19.452 19.000 0.260 0.000 1.155 555 A HN 0.214 nan 8.150 nan 0.000 0.501 556 D N 0.070 120.500 120.400 0.050 0.000 2.812 556 D HA 0.458 5.067 4.640 -0.052 0.000 0.318 556 D C 0.427 176.725 176.300 -0.003 0.000 1.234 556 D CA 0.337 54.350 54.000 0.022 0.000 0.989 556 D CB 0.267 41.067 40.800 0.000 0.000 1.442 556 D HN 0.188 nan 8.370 nan 0.000 0.537 557 T N -2.512 112.047 114.554 0.007 0.000 3.134 557 T HA 0.335 4.653 4.350 -0.052 0.000 0.260 557 T C 0.375 175.026 174.700 -0.082 0.000 1.027 557 T CA -0.353 61.753 62.100 0.011 0.000 0.913 557 T CB -0.567 68.359 68.868 0.096 0.000 1.046 557 T HN 0.270 nan 8.240 nan 0.000 0.553 558 V N 2.650 122.409 119.914 -0.258 0.000 2.614 558 V HA 0.335 4.424 4.120 -0.052 0.000 0.291 558 V C 0.075 176.102 176.094 -0.112 0.000 1.049 558 V CA -0.988 61.124 62.300 -0.312 0.000 1.038 558 V CB 0.037 31.539 31.823 -0.536 0.000 0.980 558 V HN 0.538 nan 8.190 nan 0.000 0.481 559 F N 6.311 126.160 119.950 -0.169 0.000 2.438 559 F HA 0.538 5.029 4.527 -0.059 0.000 0.356 559 F C 0.546 176.283 175.800 -0.104 0.000 1.099 559 F CA -0.137 57.789 58.000 -0.122 0.000 1.185 559 F CB 0.296 39.233 39.000 -0.103 0.000 1.115 559 F HN 0.428 nan 8.300 nan 0.000 0.526 560 R N 6.638 126.644 120.500 -0.824 0.000 2.686 560 R HA 0.526 4.835 4.340 -0.052 0.000 0.283 560 R C -1.576 174.276 176.300 -0.746 0.000 0.978 560 R CA -1.046 54.721 56.100 -0.555 0.000 0.897 560 R CB 2.106 32.231 30.300 -0.291 0.000 1.192 560 R HN 0.672 nan 8.270 nan 0.000 0.457 561 L N 4.405 125.396 121.223 -0.386 0.000 2.335 561 L HA 0.366 4.674 4.340 -0.052 0.000 0.268 561 L C -0.642 176.198 176.870 -0.050 0.000 1.037 561 L CA -0.648 54.013 54.840 -0.298 0.000 0.895 561 L CB 0.365 42.392 42.059 -0.053 0.000 1.266 561 L HN 0.738 nan 8.230 nan 0.000 0.439 562 N N 0.057 118.645 118.700 -0.188 0.000 3.343 562 N HA 0.176 4.885 4.740 -0.052 0.000 0.330 562 N C 0.218 175.394 175.510 -0.558 0.000 1.560 562 N CA -0.892 51.961 53.050 -0.330 0.000 0.752 562 N CB 0.212 38.635 38.487 -0.107 0.000 1.863 562 N HN 0.265 nan 8.380 nan 0.000 0.636 563 W N 0.546 121.300 121.300 -0.909 0.000 2.363 563 W HA 0.197 4.820 4.660 -0.062 0.000 0.296 563 W C 1.992 178.477 176.519 -0.057 0.000 1.212 563 W CA 2.624 59.672 57.345 -0.496 0.000 1.260 563 W CB -0.957 28.375 29.460 -0.214 0.000 1.131 563 W HN 0.694 nan 8.180 nan 0.000 0.530 564 A N -0.447 122.350 122.820 -0.038 0.000 1.972 564 A HA -0.197 4.092 4.320 -0.052 0.000 0.219 564 A C 1.935 179.417 177.584 -0.170 0.000 1.169 564 A CA 2.420 54.373 52.037 -0.139 0.000 0.635 564 A CB -1.239 17.766 19.000 0.008 0.000 0.810 564 A HN 0.298 nan 8.150 nan 0.000 0.446 565 T N -1.319 113.143 114.554 -0.154 0.000 2.708 565 T HA -0.197 4.122 4.350 -0.052 0.000 0.266 565 T C 1.782 176.500 174.700 0.030 0.000 1.037 565 T CA 1.643 63.627 62.100 -0.193 0.000 1.146 565 T CB -0.517 68.045 68.868 -0.510 0.000 0.865 565 T HN 0.702 nan 8.240 nan 0.000 0.435 566 Y N 2.072 122.452 120.300 0.134 0.000 2.145 566 Y HA -0.095 4.431 4.550 -0.042 0.000 0.286 566 Y C 2.032 177.935 175.900 0.005 0.000 1.145 566 Y CA 1.104 59.328 58.100 0.205 0.000 1.148 566 Y CB -0.583 37.991 38.460 0.189 0.000 0.981 566 Y HN 0.078 nan 8.280 nan 0.000 0.507 567 L N 0.522 121.326 121.223 -0.699 0.000 2.043 567 L HA -0.268 4.041 4.340 -0.052 0.000 0.212 567 L C 2.894 179.531 176.870 -0.389 0.000 1.075 567 L CA 1.355 55.740 54.840 -0.757 0.000 0.752 567 L CB -1.092 40.563 42.059 -0.674 0.000 0.891 567 L HN 0.459 nan 8.230 nan 0.000 0.432 568 A N -0.925 121.745 122.820 -0.251 0.000 1.854 568 A HA -0.204 4.085 4.320 -0.052 0.000 0.214 568 A C 2.541 180.073 177.584 -0.087 0.000 1.192 568 A CA 1.874 53.820 52.037 -0.151 0.000 0.611 568 A CB -0.798 18.109 19.000 -0.156 0.000 0.832 568 A HN 0.342 nan 8.150 nan 0.000 0.442 569 S N -1.204 114.466 115.700 -0.050 0.000 2.356 569 S HA -0.136 4.303 4.470 -0.052 0.000 0.223 569 S C 1.999 176.634 174.600 0.058 0.000 1.032 569 S CA 2.398 60.620 58.200 0.036 0.000 1.005 569 S CB -0.457 62.824 63.200 0.135 0.000 0.867 569 S HN 0.604 nan 8.310 nan 0.000 0.449 570 T N 1.154 115.722 114.554 0.023 0.000 2.953 570 T HA 0.173 4.492 4.350 -0.052 0.000 0.247 570 T C 1.450 176.139 174.700 -0.017 0.000 1.029 570 T CA 0.587 62.719 62.100 0.053 0.000 1.144 570 T CB -0.144 68.841 68.868 0.196 0.000 0.870 570 T HN 0.312 nan 8.240 nan 0.000 0.446 571 E N 1.235 121.336 120.200 -0.164 0.000 2.479 571 E HA 0.157 4.476 4.350 -0.052 0.000 0.193 571 E C -0.034 176.554 176.600 -0.020 0.000 1.049 571 E CA -0.060 56.276 56.400 -0.107 0.000 0.870 571 E CB -0.320 29.247 29.700 -0.221 0.000 0.944 571 E HN 0.521 nan 8.360 nan 0.000 0.492 572 N N 0.557 119.261 118.700 0.007 0.000 2.740 572 N HA -0.189 4.520 4.740 -0.052 0.000 0.248 572 N C -0.863 174.736 175.510 0.148 0.000 1.062 572 N CA 0.292 53.415 53.050 0.122 0.000 0.704 572 N CB -1.245 37.342 38.487 0.167 0.000 0.968 572 N HN 0.207 nan 8.380 nan 0.000 0.547 573 I N 0.820 121.404 120.570 0.023 0.000 2.377 573 I HA 0.340 4.479 4.170 -0.052 0.000 0.293 573 I C 0.620 176.713 176.117 -0.041 0.000 0.987 573 I CA -0.837 60.471 61.300 0.013 0.000 1.185 573 I CB 1.266 39.281 38.000 0.024 0.000 1.341 573 I HN 0.027 nan 8.210 nan 0.000 0.455 574 I N 6.519 127.066 120.570 -0.038 0.000 2.471 574 I HA 0.133 4.272 4.170 -0.052 0.000 0.286 574 I C -0.085 176.002 176.117 -0.049 0.000 1.079 574 I CA -0.168 61.062 61.300 -0.117 0.000 1.398 574 I CB 1.272 39.190 38.000 -0.136 0.000 1.403 574 I HN 0.284 nan 8.210 nan 0.000 0.530 575 V N 7.520 127.394 119.914 -0.066 0.000 2.350 575 V HA 0.786 4.874 4.120 -0.052 0.000 0.285 575 V C -0.003 176.104 176.094 0.022 0.000 1.014 575 V CA -0.135 62.178 62.300 0.023 0.000 0.831 575 V CB 1.115 32.954 31.823 0.027 0.000 1.000 575 V HN 0.801 nan 8.190 nan 0.000 0.433 576 A N 5.034 127.888 122.820 0.056 0.000 2.311 576 A HA 0.972 5.261 4.320 -0.052 0.000 0.334 576 A C -0.098 177.624 177.584 0.231 0.000 1.139 576 A CA -0.539 51.517 52.037 0.033 0.000 0.830 576 A CB 1.879 20.695 19.000 -0.306 0.000 1.234 576 A HN 0.983 nan 8.150 nan 0.000 0.483 577 S N -0.472 115.418 115.700 0.316 0.000 2.546 577 S HA 0.746 5.184 4.470 -0.052 0.000 0.274 577 S C -1.516 173.442 174.600 0.598 0.000 1.121 577 S CA -0.300 58.144 58.200 0.407 0.000 0.887 577 S CB 1.352 64.728 63.200 0.294 0.000 1.094 577 S HN 0.738 nan 8.310 nan 0.000 0.474 578 F N 1.695 121.878 119.950 0.388 0.000 2.581 578 F HA 0.452 4.947 4.527 -0.053 0.000 0.311 578 F C -1.574 174.423 175.800 0.328 0.000 1.113 578 F CA -0.671 57.577 58.000 0.414 0.000 0.935 578 F CB 1.566 40.792 39.000 0.378 0.000 1.232 578 F HN 0.418 nan 8.300 nan 0.000 0.445 579 D N 4.657 124.866 120.400 -0.318 0.000 2.473 579 D HA 0.350 4.958 4.640 -0.052 0.000 0.226 579 D C 0.350 176.395 176.300 -0.424 0.000 1.089 579 D CA 0.084 53.988 54.000 -0.160 0.000 0.883 579 D CB 1.475 42.316 40.800 0.068 0.000 1.029 579 D HN 0.746 nan 8.370 nan 0.000 0.517 580 G N 1.191 109.848 108.800 -0.239 0.000 2.641 580 G HA2 0.284 4.213 3.960 -0.052 0.000 0.239 580 G HA3 0.284 4.213 3.960 -0.052 0.000 0.239 580 G C 0.227 175.099 174.900 -0.047 0.000 1.402 580 G CA -0.694 44.251 45.100 -0.259 0.000 1.046 580 G HN 0.276 nan 8.290 nan 0.000 0.565 581 R N -0.816 119.634 120.500 -0.082 0.000 2.640 581 R HA 0.352 4.661 4.340 -0.052 0.000 0.270 581 R C 1.303 177.683 176.300 0.133 0.000 1.024 581 R CA 1.492 57.658 56.100 0.110 0.000 1.085 581 R CB 0.373 30.735 30.300 0.102 0.000 0.963 581 R HN 1.064 nan 8.270 nan 0.000 0.426 582 G N 0.901 109.776 108.800 0.124 0.000 2.234 582 G HA2 -0.332 3.596 3.960 -0.052 0.000 0.235 582 G HA3 -0.332 3.596 3.960 -0.052 0.000 0.235 582 G C 0.152 175.065 174.900 0.021 0.000 0.997 582 G CA 0.209 45.358 45.100 0.080 0.000 0.623 582 G HN 0.736 nan 8.290 nan 0.000 0.514 583 S N 0.305 116.035 115.700 0.050 0.000 2.614 583 S HA 0.687 5.126 4.470 -0.052 0.000 0.265 583 S C 0.782 175.351 174.600 -0.050 0.000 1.303 583 S CA 0.462 58.686 58.200 0.039 0.000 1.000 583 S CB 1.827 65.091 63.200 0.107 0.000 0.935 583 S HN 1.675 nan 8.310 nan 0.000 0.551 584 G N -1.073 107.651 108.800 -0.127 0.000 2.552 584 G HA2 0.528 4.456 3.960 -0.052 0.000 0.324 584 G HA3 0.528 4.456 3.960 -0.052 0.000 0.324 584 G C -0.898 173.817 174.900 -0.307 0.000 1.217 584 G CA -1.101 43.730 45.100 -0.449 0.000 0.989 584 G HN 1.050 nan 8.290 nan 0.000 0.490 585 Y N -2.416 117.870 120.300 -0.023 0.000 4.729 585 Y HA -0.228 4.291 4.550 -0.052 0.000 0.239 585 Y C 1.350 177.251 175.900 0.002 0.000 1.043 585 Y CA 0.941 59.040 58.100 -0.002 0.000 2.045 585 Y CB -1.826 36.652 38.460 0.029 0.000 1.599 585 Y HN 0.520 nan 8.280 nan 0.000 0.655 586 Q N 0.161 119.964 119.800 0.006 0.000 2.086 586 Q HA 0.488 4.797 4.340 -0.052 0.000 0.220 586 Q C 0.797 176.646 176.000 -0.251 0.000 0.792 586 Q CA 0.207 56.017 55.803 0.013 0.000 1.062 586 Q CB 1.911 30.669 28.738 0.034 0.000 1.198 586 Q HN 0.549 nan 8.270 nan 0.000 0.466 587 G N 0.795 109.316 108.800 -0.466 0.000 2.663 587 G HA2 -0.181 3.748 3.960 -0.052 0.000 0.686 587 G HA3 -0.181 3.748 3.960 -0.052 0.000 0.686 587 G C -0.511 174.038 174.900 -0.584 0.000 1.246 587 G CA -0.578 44.003 45.100 -0.865 0.000 0.795 587 G HN 0.104 nan 8.290 nan 0.000 0.627 588 D N -0.053 120.002 120.400 -0.574 0.000 2.264 588 D HA -0.037 4.572 4.640 -0.052 0.000 0.208 588 D C 2.245 178.343 176.300 -0.336 0.000 0.966 588 D CA 1.383 55.053 54.000 -0.550 0.000 0.864 588 D CB 0.104 40.686 40.800 -0.363 0.000 0.933 588 D HN 0.519 nan 8.370 nan 0.000 0.499 589 K N 0.842 121.078 120.400 -0.274 0.000 2.026 589 K HA -0.063 4.225 4.320 -0.052 0.000 0.208 589 K C 1.850 178.396 176.600 -0.090 0.000 1.048 589 K CA 1.079 57.279 56.287 -0.145 0.000 0.929 589 K CB -0.376 32.041 32.500 -0.139 0.000 0.713 589 K HN 0.133 nan 8.250 nan 0.000 0.439 590 I N -0.129 120.372 120.570 -0.116 0.000 2.333 590 I HA -0.117 4.022 4.170 -0.052 0.000 0.246 590 I C 2.569 178.668 176.117 -0.030 0.000 1.106 590 I CA 1.044 62.344 61.300 -0.001 0.000 1.411 590 I CB -0.138 37.885 38.000 0.038 0.000 1.082 590 I HN 0.267 nan 8.210 nan 0.000 0.420 591 M N -0.094 119.393 119.600 -0.188 0.000 2.229 591 M HA -0.181 4.268 4.480 -0.052 0.000 0.264 591 M C 1.823 178.023 176.300 -0.167 0.000 1.063 591 M CA 1.709 56.868 55.300 -0.236 0.000 1.114 591 M CB -0.106 32.216 32.600 -0.462 0.000 1.387 591 M HN 0.249 nan 8.290 nan 0.000 0.420 592 H N -0.582 118.401 119.070 -0.145 0.000 2.539 592 H HA 0.284 4.808 4.556 -0.052 0.000 0.269 592 H C 1.860 177.227 175.328 0.064 0.000 0.980 592 H CA 0.728 56.709 56.048 -0.111 0.000 1.152 592 H CB -0.205 29.412 29.762 -0.242 0.000 1.407 592 H HN 0.464 nan 8.280 nan 0.000 0.564 593 A N 1.573 124.503 122.820 0.185 0.000 2.024 593 A HA -0.116 4.173 4.320 -0.052 0.000 0.220 593 A C 2.001 179.809 177.584 0.374 0.000 1.164 593 A CA 1.287 53.457 52.037 0.221 0.000 0.643 593 A CB -0.476 18.610 19.000 0.145 0.000 0.806 593 A HN 0.377 nan 8.150 nan 0.000 0.451 594 I N -1.954 118.805 120.570 0.314 0.000 3.904 594 I HA 0.126 4.265 4.170 -0.052 0.000 0.333 594 I C 0.121 176.354 176.117 0.193 0.000 1.361 594 I CA -0.400 61.044 61.300 0.240 0.000 1.116 594 I CB -1.765 36.341 38.000 0.177 0.000 1.028 594 I HN 0.264 nan 8.210 nan 0.000 0.398 595 N N 3.028 121.902 118.700 0.290 0.000 2.411 595 N HA -0.079 4.630 4.740 -0.052 0.000 0.261 595 N C 0.130 175.716 175.510 0.127 0.000 1.248 595 N CA 0.338 53.572 53.050 0.306 0.000 0.885 595 N CB 0.303 38.962 38.487 0.286 0.000 1.062 595 N HN 0.330 nan 8.380 nan 0.000 0.471 596 R N 0.815 121.365 120.500 0.084 0.000 4.016 596 R HA -0.150 4.159 4.340 -0.052 0.000 0.385 596 R C -0.281 175.987 176.300 -0.054 0.000 1.158 596 R CA 0.784 56.893 56.100 0.016 0.000 1.117 596 R CB -0.804 29.513 30.300 0.028 0.000 1.635 596 R HN 0.645 nan 8.270 nan 0.000 0.560 597 R N 0.481 120.935 120.500 -0.076 0.000 2.711 597 R HA 0.207 4.516 4.340 -0.052 0.000 0.350 597 R C -0.710 175.605 176.300 0.025 0.000 1.146 597 R CA -0.641 55.300 56.100 -0.265 0.000 1.190 597 R CB 0.414 30.510 30.300 -0.341 0.000 1.312 597 R HN -0.092 nan 8.270 nan 0.000 0.635 598 L N 0.235 121.540 121.223 0.136 0.000 2.485 598 L HA 0.218 4.527 4.340 -0.052 0.000 0.275 598 L C 1.503 178.623 176.870 0.415 0.000 1.207 598 L CA 1.493 56.428 54.840 0.158 0.000 0.855 598 L CB 0.451 42.354 42.059 -0.259 0.000 1.114 598 L HN 0.754 nan 8.230 nan 0.000 0.485 599 G N 0.969 110.041 108.800 0.452 0.000 2.137 599 G HA2 -0.296 3.632 3.960 -0.052 0.000 0.237 599 G HA3 -0.296 3.632 3.960 -0.052 0.000 0.237 599 G C 0.525 175.508 174.900 0.138 0.000 1.002 599 G CA 0.875 46.173 45.100 0.329 0.000 0.702 599 G HN 0.907 nan 8.290 nan 0.000 0.515 600 T N -3.400 111.193 114.554 0.066 0.000 3.066 600 T HA 0.503 4.822 4.350 -0.052 0.000 0.176 600 T C 1.642 176.302 174.700 -0.067 0.000 0.826 600 T CA 0.901 62.921 62.100 -0.134 0.000 1.280 600 T CB -0.039 68.524 68.868 -0.507 0.000 2.214 600 T HN 0.151 nan 8.240 nan 0.000 0.399 601 F N 3.446 123.436 119.950 0.068 0.000 2.095 601 F HA 0.039 4.535 4.527 -0.053 0.000 0.298 601 F C 2.880 178.712 175.800 0.053 0.000 1.104 601 F CA 1.333 59.360 58.000 0.046 0.000 1.232 601 F CB -0.844 38.180 39.000 0.039 0.000 0.987 601 F HN 0.517 nan 8.300 nan 0.000 0.475 602 E N 1.206 121.560 120.200 0.256 0.000 2.085 602 E HA -0.166 4.153 4.350 -0.052 0.000 0.194 602 E C 2.150 178.855 176.600 0.176 0.000 0.994 602 E CA 1.833 58.358 56.400 0.209 0.000 0.801 602 E CB -1.234 28.597 29.700 0.218 0.000 0.743 602 E HN 0.295 nan 8.360 nan 0.000 0.453 603 V N 1.766 121.760 119.914 0.133 0.000 2.307 603 V HA -0.236 3.853 4.120 -0.052 0.000 0.245 603 V C 2.467 178.594 176.094 0.055 0.000 1.045 603 V CA 2.299 64.630 62.300 0.052 0.000 1.024 603 V CB -0.675 31.131 31.823 -0.028 0.000 0.651 603 V HN 0.239 nan 8.190 nan 0.000 0.449 604 E N -0.040 120.208 120.200 0.081 0.000 2.153 604 E HA -0.228 4.091 4.350 -0.052 0.000 0.194 604 E C 1.883 178.513 176.600 0.051 0.000 0.988 604 E CA 1.400 57.846 56.400 0.077 0.000 0.811 604 E CB -0.157 29.624 29.700 0.134 0.000 0.746 604 E HN 0.593 nan 8.360 nan 0.000 0.466 605 D N 0.140 120.584 120.400 0.074 0.000 2.224 605 D HA -0.104 4.505 4.640 -0.052 0.000 0.205 605 D C 1.948 178.229 176.300 -0.033 0.000 0.965 605 D CA 0.630 54.646 54.000 0.026 0.000 0.852 605 D CB -0.017 40.835 40.800 0.088 0.000 0.947 605 D HN 0.094 nan 8.370 nan 0.000 0.494 606 Q N 0.299 120.145 119.800 0.077 0.000 2.046 606 Q HA -0.041 4.268 4.340 -0.052 0.000 0.200 606 Q C 2.572 178.609 176.000 0.060 0.000 0.975 606 Q CA 0.549 56.402 55.803 0.083 0.000 0.836 606 Q CB -0.193 28.630 28.738 0.141 0.000 0.896 606 Q HN 0.402 nan 8.270 nan 0.000 0.428 607 I N 0.885 121.518 120.570 0.104 0.000 2.163 607 I HA -0.292 3.847 4.170 -0.052 0.000 0.243 607 I C 2.445 178.526 176.117 -0.059 0.000 1.085 607 I CA 1.387 62.795 61.300 0.179 0.000 1.347 607 I CB -0.261 37.825 38.000 0.143 0.000 1.044 607 I HN 0.171 nan 8.210 nan 0.000 0.408 608 E N 1.388 121.502 120.200 -0.144 0.000 2.118 608 E HA -0.226 4.092 4.350 -0.052 0.000 0.195 608 E C 2.066 178.374 176.600 -0.487 0.000 0.992 608 E CA 1.725 57.974 56.400 -0.253 0.000 0.804 608 E CB -0.216 29.363 29.700 -0.203 0.000 0.741 608 E HN 0.436 nan 8.360 nan 0.000 0.458 609 A N 0.846 123.222 122.820 -0.739 0.000 1.883 609 A HA -0.098 4.191 4.320 -0.052 0.000 0.217 609 A C 2.490 179.301 177.584 -1.289 0.000 1.186 609 A CA 2.376 53.627 52.037 -1.311 0.000 0.624 609 A CB -1.180 16.858 19.000 -1.604 0.000 0.822 609 A HN 0.406 nan 8.150 nan 0.000 0.444 610 A N -0.278 122.172 122.820 -0.616 0.000 1.940 610 A HA -0.190 4.098 4.320 -0.052 0.000 0.219 610 A C 2.223 179.597 177.584 -0.351 0.000 1.176 610 A CA 1.585 53.426 52.037 -0.327 0.000 0.631 610 A CB -0.505 18.350 19.000 -0.242 0.000 0.814 610 A HN 0.576 nan 8.150 nan 0.000 0.446 611 R N -0.724 119.559 120.500 -0.362 0.000 2.083 611 R HA -0.162 4.147 4.340 -0.052 0.000 0.237 611 R C 2.402 178.528 176.300 -0.290 0.000 1.137 611 R CA 1.560 57.491 56.100 -0.281 0.000 0.951 611 R CB -0.351 29.811 30.300 -0.230 0.000 0.851 611 R HN 0.574 nan 8.270 nan 0.000 0.434 612 Q N -0.121 119.428 119.800 -0.417 0.000 2.084 612 Q HA -0.131 4.178 4.340 -0.052 0.000 0.202 612 Q C 2.099 177.942 176.000 -0.262 0.000 0.978 612 Q CA 1.400 56.980 55.803 -0.371 0.000 0.844 612 Q CB -0.261 28.174 28.738 -0.505 0.000 0.898 612 Q HN 0.290 nan 8.270 nan 0.000 0.426 613 F N 1.513 121.286 119.950 -0.294 0.000 2.134 613 F HA -0.153 4.343 4.527 -0.051 0.000 0.299 613 F C 2.728 178.308 175.800 -0.366 0.000 1.097 613 F CA 1.285 59.095 58.000 -0.317 0.000 1.264 613 F CB -1.402 37.468 39.000 -0.217 0.000 1.001 613 F HN 0.089 nan 8.300 nan 0.000 0.479 614 S N -0.219 115.423 115.700 -0.097 0.000 2.402 614 S HA -0.157 4.282 4.470 -0.052 0.000 0.229 614 S C 1.704 176.185 174.600 -0.198 0.000 1.021 614 S CA 0.886 58.992 58.200 -0.156 0.000 0.974 614 S CB -0.570 62.548 63.200 -0.136 0.000 0.800 614 S HN 0.383 nan 8.310 nan 0.000 0.484 615 K N 0.371 120.659 120.400 -0.187 0.000 2.487 615 K HA 0.283 4.572 4.320 -0.052 0.000 0.192 615 K C 1.443 177.932 176.600 -0.185 0.000 1.027 615 K CA 0.204 56.394 56.287 -0.162 0.000 1.054 615 K CB -0.211 32.210 32.500 -0.132 0.000 0.824 615 K HN 0.461 nan 8.250 nan 0.000 0.510 616 M N -0.843 118.578 119.600 -0.299 0.000 2.562 616 M HA -0.001 4.447 4.480 -0.052 0.000 0.257 616 M C 1.158 177.206 176.300 -0.421 0.000 1.099 616 M CA 0.951 56.029 55.300 -0.370 0.000 1.099 616 M CB 0.465 32.742 32.600 -0.538 0.000 1.427 616 M HN 0.432 nan 8.290 nan 0.000 0.489 617 G N 0.506 109.064 108.800 -0.405 0.000 2.213 617 G HA2 -0.272 3.656 3.960 -0.052 0.000 0.226 617 G HA3 -0.272 3.656 3.960 -0.052 0.000 0.226 617 G C 0.456 175.317 174.900 -0.066 0.000 0.992 617 G CA 0.188 45.183 45.100 -0.175 0.000 0.632 617 G HN 0.595 nan 8.290 nan 0.000 0.511 618 F N 0.121 120.133 119.950 0.104 0.000 2.654 618 F HA 0.765 5.261 4.527 -0.052 0.000 0.303 618 F C 0.207 176.127 175.800 0.199 0.000 1.099 618 F CA -0.891 57.211 58.000 0.171 0.000 1.270 618 F CB 0.416 39.585 39.000 0.281 0.000 1.024 618 F HN 0.055 nan 8.300 nan 0.000 0.548 619 V N 1.677 121.627 119.914 0.060 0.000 2.435 619 V HA 0.192 4.281 4.120 -0.052 0.000 0.290 619 V C -0.697 175.402 176.094 0.009 0.000 1.030 619 V CA -0.703 61.643 62.300 0.077 0.000 0.881 619 V CB 1.511 33.326 31.823 -0.014 0.000 0.983 619 V HN 0.116 nan 8.190 nan 0.000 0.445 620 D N 3.685 124.084 120.400 -0.001 0.000 2.352 620 D HA 0.080 4.689 4.640 -0.052 0.000 0.245 620 D C 0.916 177.177 176.300 -0.065 0.000 1.224 620 D CA -0.324 53.647 54.000 -0.049 0.000 0.879 620 D CB 0.633 41.387 40.800 -0.077 0.000 1.057 620 D HN 0.636 nan 8.370 nan 0.000 0.491 621 N N 2.926 121.588 118.700 -0.064 0.000 2.370 621 N HA -0.047 4.662 4.740 -0.052 0.000 0.198 621 N C 0.745 176.221 175.510 -0.057 0.000 1.156 621 N CA 0.141 53.145 53.050 -0.076 0.000 0.839 621 N CB 0.114 38.542 38.487 -0.099 0.000 0.989 621 N HN 0.313 nan 8.380 nan 0.000 0.468 622 K N 0.098 120.475 120.400 -0.038 0.000 2.418 622 K HA 0.157 4.446 4.320 -0.052 0.000 0.195 622 K C 0.072 176.689 176.600 0.029 0.000 1.035 622 K CA 0.346 56.629 56.287 -0.007 0.000 1.003 622 K CB 0.320 32.816 32.500 -0.007 0.000 0.793 622 K HN 0.209 nan 8.250 nan 0.000 0.494 623 R N 1.144 121.640 120.500 -0.007 0.000 2.629 623 R HA 0.357 4.666 4.340 -0.052 0.000 0.277 623 R C -0.986 175.310 176.300 -0.006 0.000 1.637 623 R CA -0.129 55.980 56.100 0.017 0.000 1.663 623 R CB 0.694 30.861 30.300 -0.222 0.000 1.228 623 R HN -0.022 nan 8.270 nan 0.000 0.632 624 I N 1.343 122.018 120.570 0.175 0.000 2.389 624 I HA 0.523 4.662 4.170 -0.052 0.000 0.288 624 I C -0.006 176.419 176.117 0.513 0.000 0.999 624 I CA -0.738 60.701 61.300 0.231 0.000 1.129 624 I CB 1.901 39.881 38.000 -0.033 0.000 1.288 624 I HN 0.344 nan 8.210 nan 0.000 0.444 625 A N 7.037 130.262 122.820 0.674 0.000 2.346 625 A HA 0.906 5.195 4.320 -0.052 0.000 0.313 625 A C -1.072 176.873 177.584 0.601 0.000 1.140 625 A CA -0.629 51.776 52.037 0.613 0.000 0.826 625 A CB 1.913 21.165 19.000 0.420 0.000 1.332 625 A HN 0.730 nan 8.150 nan 0.000 0.457 626 I N 0.685 121.509 120.570 0.423 0.000 2.686 626 I HA 0.731 4.870 4.170 -0.052 0.000 0.295 626 I C -1.710 174.644 176.117 0.395 0.000 1.114 626 I CA -0.563 60.907 61.300 0.284 0.000 1.038 626 I CB 1.553 39.425 38.000 -0.214 0.000 1.238 626 I HN 0.891 nan 8.210 nan 0.000 0.420 627 W N 7.275 128.697 121.300 0.204 0.000 3.167 627 W HA 0.842 5.469 4.660 -0.055 0.000 0.324 627 W C -1.503 175.160 176.519 0.241 0.000 1.230 627 W CA -0.980 56.497 57.345 0.220 0.000 1.184 627 W CB 1.177 30.823 29.460 0.311 0.000 1.414 627 W HN 0.822 nan 8.180 nan 0.000 0.551 628 G N 1.328 110.035 108.800 -0.156 0.000 2.646 628 G HA2 0.512 4.441 3.960 -0.052 0.000 0.291 628 G HA3 0.512 4.441 3.960 -0.052 0.000 0.291 628 G C -2.786 172.034 174.900 -0.133 0.000 1.445 628 G CA -0.686 44.199 45.100 -0.357 0.000 0.814 628 G HN 0.586 nan 8.290 nan 0.000 0.495 629 W N 0.855 122.034 121.300 -0.203 0.000 2.761 629 W HA 0.555 5.183 4.660 -0.054 0.000 0.340 629 W C 0.851 177.423 176.519 0.089 0.000 1.072 629 W CA 0.388 57.703 57.345 -0.050 0.000 1.215 629 W CB 1.711 31.141 29.460 -0.051 0.000 1.420 629 W HN 1.091 nan 8.180 nan 0.000 0.519 630 S N 1.891 117.865 115.700 0.458 0.000 4.139 630 S HA -0.437 4.002 4.470 -0.052 0.000 0.603 630 S C 0.896 175.585 174.600 0.148 0.000 1.897 630 S CA 1.759 60.216 58.200 0.428 0.000 4.241 630 S CB -1.578 62.032 63.200 0.683 0.000 0.221 630 S HN 0.760 nan 8.310 nan 0.000 0.488 631 Y N 3.014 123.277 120.300 -0.061 0.000 2.224 631 Y HA 0.024 4.542 4.550 -0.053 0.000 0.289 631 Y C 2.508 178.298 175.900 -0.183 0.000 1.146 631 Y CA 2.027 60.000 58.100 -0.211 0.000 1.182 631 Y CB -0.909 37.235 38.460 -0.526 0.000 0.983 631 Y HN 0.544 nan 8.280 nan 0.000 0.524 632 G N -0.909 107.854 108.800 -0.062 0.000 2.432 632 G HA2 -0.221 3.708 3.960 -0.052 0.000 0.219 632 G HA3 -0.221 3.708 3.960 -0.052 0.000 0.219 632 G C 1.847 176.760 174.900 0.021 0.000 1.135 632 G CA 0.724 45.842 45.100 0.030 0.000 0.767 632 G HN 0.563 nan 8.290 nan 0.000 0.550 633 G N -0.118 108.705 108.800 0.038 0.000 2.402 633 G HA2 -0.223 3.705 3.960 -0.052 0.000 0.216 633 G HA3 -0.223 3.705 3.960 -0.052 0.000 0.216 633 G C 1.555 176.461 174.900 0.010 0.000 1.162 633 G CA 1.015 46.122 45.100 0.012 0.000 0.777 633 G HN 0.476 nan 8.290 nan 0.000 0.539 634 Y N 1.092 121.279 120.300 -0.188 0.000 2.114 634 Y HA -0.164 4.354 4.550 -0.053 0.000 0.284 634 Y C 2.824 178.606 175.900 -0.196 0.000 1.143 634 Y CA 1.885 59.818 58.100 -0.278 0.000 1.135 634 Y CB -0.253 37.884 38.460 -0.538 0.000 0.980 634 Y HN 0.027 nan 8.280 nan 0.000 0.499 635 V N 0.024 119.788 119.914 -0.250 0.000 2.332 635 V HA -0.340 3.749 4.120 -0.052 0.000 0.248 635 V C 2.292 178.263 176.094 -0.204 0.000 1.055 635 V CA 2.380 64.532 62.300 -0.246 0.000 1.038 635 V CB -1.148 30.677 31.823 0.004 0.000 0.651 635 V HN 0.531 nan 8.190 nan 0.000 0.450 636 T N -0.154 114.335 114.554 -0.108 0.000 2.684 636 T HA -0.215 4.104 4.350 -0.052 0.000 0.267 636 T C 2.144 176.789 174.700 -0.092 0.000 1.036 636 T CA 2.080 64.134 62.100 -0.076 0.000 1.148 636 T CB -0.304 68.596 68.868 0.053 0.000 0.863 636 T HN 0.515 nan 8.240 nan 0.000 0.436 637 S N 0.884 116.560 115.700 -0.040 0.000 2.382 637 S HA -0.019 4.420 4.470 -0.052 0.000 0.228 637 S C 2.120 176.632 174.600 -0.146 0.000 1.027 637 S CA 0.931 59.142 58.200 0.019 0.000 0.991 637 S CB -0.257 62.984 63.200 0.069 0.000 0.823 637 S HN 0.336 nan 8.310 nan 0.000 0.469 638 M N 0.680 120.091 119.600 -0.315 0.000 2.200 638 M HA 0.010 4.459 4.480 -0.052 0.000 0.265 638 M C 2.193 178.318 176.300 -0.293 0.000 1.066 638 M CA 0.983 56.077 55.300 -0.343 0.000 1.127 638 M CB -1.330 30.967 32.600 -0.506 0.000 1.379 638 M HN 0.173 nan 8.290 nan 0.000 0.420 639 V N 0.815 120.550 119.914 -0.298 0.000 2.307 639 V HA -0.236 3.852 4.120 -0.052 0.000 0.245 639 V C 2.513 178.396 176.094 -0.351 0.000 1.045 639 V CA 1.413 63.532 62.300 -0.302 0.000 1.024 639 V CB -0.631 30.939 31.823 -0.422 0.000 0.651 639 V HN 0.393 nan 8.190 nan 0.000 0.449 640 L N 0.386 121.339 121.223 -0.448 0.000 2.131 640 L HA -0.064 4.245 4.340 -0.052 0.000 0.210 640 L C 2.234 178.536 176.870 -0.947 0.000 1.092 640 L CA 1.538 56.021 54.840 -0.596 0.000 0.759 640 L CB -0.725 40.977 42.059 -0.594 0.000 0.903 640 L HN 0.486 nan 8.230 nan 0.000 0.435 641 G N -1.428 106.803 108.800 -0.949 0.000 3.141 641 G HA2 -0.050 3.878 3.960 -0.052 0.000 0.218 641 G HA3 -0.050 3.878 3.960 -0.052 0.000 0.218 641 G C 1.512 176.221 174.900 -0.319 0.000 1.170 641 G CA 0.582 45.233 45.100 -0.749 0.000 0.769 641 G HN 0.432 nan 8.290 nan 0.000 0.546 642 S N -0.613 114.931 115.700 -0.259 0.000 2.470 642 S HA 0.294 4.733 4.470 -0.052 0.000 0.225 642 S C 1.945 176.491 174.600 -0.090 0.000 1.006 642 S CA 1.072 59.192 58.200 -0.134 0.000 0.934 642 S CB -0.138 63.006 63.200 -0.094 0.000 0.778 642 S HN 1.365 nan 8.310 nan 0.000 0.517 643 G N 1.349 110.087 108.800 -0.103 0.000 2.147 643 G HA2 -0.329 3.600 3.960 -0.052 0.000 0.244 643 G HA3 -0.329 3.600 3.960 -0.052 0.000 0.244 643 G C 0.928 175.813 174.900 -0.025 0.000 1.005 643 G CA 0.935 46.000 45.100 -0.059 0.000 0.713 643 G HN 1.287 nan 8.290 nan 0.000 0.515 644 S N -0.766 114.931 115.700 -0.005 0.000 2.428 644 S HA 0.312 4.751 4.470 -0.052 0.000 0.230 644 S C 2.505 177.107 174.600 0.004 0.000 1.014 644 S CA 1.626 59.834 58.200 0.013 0.000 0.957 644 S CB -0.196 63.037 63.200 0.054 0.000 0.784 644 S HN 2.402 nan 8.310 nan 0.000 0.499 645 G N 0.078 108.889 108.800 0.018 0.000 2.162 645 G HA2 -0.281 3.648 3.960 -0.052 0.000 0.260 645 G HA3 -0.281 3.648 3.960 -0.052 0.000 0.260 645 G C 0.718 175.604 174.900 -0.023 0.000 0.976 645 G CA 0.392 45.495 45.100 0.005 0.000 0.655 645 G HN 0.731 nan 8.290 nan 0.000 0.533 646 V N -0.769 119.114 119.914 -0.052 0.000 2.719 646 V HA 0.276 4.365 4.120 -0.052 0.000 0.252 646 V C 1.120 176.974 176.094 -0.402 0.000 1.065 646 V CA 1.385 63.514 62.300 -0.285 0.000 1.086 646 V CB -0.377 31.155 31.823 -0.485 0.000 0.700 646 V HN 0.309 nan 8.190 nan 0.000 0.467 647 F N -0.218 119.747 119.950 0.025 0.000 2.443 647 F HA 0.437 4.932 4.527 -0.053 0.000 0.335 647 F C 1.056 176.905 175.800 0.082 0.000 1.104 647 F CA -0.730 57.314 58.000 0.073 0.000 1.013 647 F CB 1.635 40.681 39.000 0.077 0.000 1.136 647 F HN -0.286 nan 8.300 nan 0.000 0.470 648 K N 1.450 122.022 120.400 0.288 0.000 2.137 648 K HA 0.107 4.396 4.320 -0.052 0.000 0.202 648 K C -0.054 176.685 176.600 0.232 0.000 1.052 648 K CA 0.981 57.398 56.287 0.216 0.000 0.961 648 K CB 0.261 32.887 32.500 0.210 0.000 0.741 648 K HN 0.812 nan 8.250 nan 0.000 0.452 649 c N -3.144 115.634 118.600 0.296 0.000 3.320 649 c HA 0.898 5.437 4.570 -0.052 0.000 0.335 649 c C -0.306 174.022 174.090 0.395 0.000 1.430 649 c CA -0.497 56.032 56.329 0.335 0.000 1.271 649 c CB 1.093 43.733 42.510 0.217 0.000 1.609 649 c HN 0.379 nan 8.230 nan 0.000 0.457 650 G N -0.114 108.985 108.800 0.499 0.000 2.579 650 G HA2 0.643 4.571 3.960 -0.052 0.000 0.292 650 G HA3 0.643 4.571 3.960 -0.052 0.000 0.292 650 G C -2.049 173.039 174.900 0.314 0.000 1.484 650 G CA -0.685 44.664 45.100 0.414 0.000 0.813 650 G HN 1.041 nan 8.290 nan 0.000 0.515 651 I N 0.744 121.471 120.570 0.262 0.000 2.436 651 I HA 0.634 4.773 4.170 -0.052 0.000 0.289 651 I C 0.274 176.481 176.117 0.150 0.000 1.010 651 I CA -0.972 60.360 61.300 0.053 0.000 1.098 651 I CB 2.205 40.232 38.000 0.045 0.000 1.266 651 I HN 0.673 nan 8.210 nan 0.000 0.434 652 A N 6.548 129.343 122.820 -0.041 0.000 2.287 652 A HA 0.757 5.046 4.320 -0.052 0.000 0.317 652 A C -0.662 176.814 177.584 -0.180 0.000 1.220 652 A CA -0.514 51.513 52.037 -0.017 0.000 0.835 652 A CB 1.010 20.063 19.000 0.089 0.000 1.180 652 A HN 0.453 nan 8.150 nan 0.000 0.500 653 V N 2.103 121.857 119.914 -0.266 0.000 2.398 653 V HA 0.561 4.650 4.120 -0.052 0.000 0.286 653 V C 1.025 176.708 176.094 -0.685 0.000 1.026 653 V CA 0.261 62.178 62.300 -0.637 0.000 0.868 653 V CB 0.780 31.873 31.823 -1.217 0.000 0.982 653 V HN 2.047 nan 8.190 nan 0.000 0.443 654 A N 5.555 127.963 122.820 -0.688 0.000 2.364 654 A HA -0.109 4.179 4.320 -0.052 0.000 0.288 654 A C -1.801 175.632 177.584 -0.252 0.000 1.433 654 A CA 0.364 51.930 52.037 -0.785 0.000 0.757 654 A CB -1.579 17.127 19.000 -0.490 0.000 1.098 654 A HN 0.629 nan 8.150 nan 0.000 0.380 655 P HA 0.422 nan 4.420 nan 0.000 0.279 655 P C 0.155 177.408 177.300 -0.079 0.000 1.252 655 P CA -0.270 62.794 63.100 -0.059 0.000 0.811 655 P CB 1.154 32.843 31.700 -0.018 0.000 1.035 656 V N 2.073 121.845 119.914 -0.236 0.000 2.614 656 V HA 0.065 4.154 4.120 -0.052 0.000 0.291 656 V C 1.748 177.638 176.094 -0.340 0.000 1.049 656 V CA 0.907 62.916 62.300 -0.484 0.000 1.038 656 V CB 0.579 31.707 31.823 -1.159 0.000 0.980 656 V HN 0.814 nan 8.190 nan 0.000 0.481 657 S N 4.053 119.595 115.700 -0.263 0.000 2.564 657 S HA 0.221 4.660 4.470 -0.052 0.000 0.231 657 S C 0.551 174.994 174.600 -0.261 0.000 1.067 657 S CA -0.349 57.772 58.200 -0.133 0.000 0.908 657 S CB 0.289 63.475 63.200 -0.023 0.000 0.809 657 S HN 0.830 nan 8.310 nan 0.000 0.491 658 R N -1.145 119.093 120.500 -0.436 0.000 2.566 658 R HA 0.381 4.690 4.340 -0.052 0.000 0.271 658 R C -0.898 175.082 176.300 -0.533 0.000 1.071 658 R CA -0.878 54.889 56.100 -0.555 0.000 0.915 658 R CB 0.016 30.008 30.300 -0.513 0.000 1.228 658 R HN 0.182 nan 8.270 nan 0.000 0.449 659 W N 1.632 122.827 121.300 -0.175 0.000 2.364 659 W HA -0.073 4.555 4.660 -0.053 0.000 0.281 659 W C 1.291 177.938 176.519 0.214 0.000 1.219 659 W CA 0.917 58.244 57.345 -0.029 0.000 1.220 659 W CB 0.185 29.520 29.460 -0.208 0.000 1.127 659 W HN 0.748 nan 8.180 nan 0.000 0.556 660 E N -1.076 119.321 120.200 0.328 0.000 2.333 660 E HA -0.203 4.116 4.350 -0.052 0.000 0.198 660 E C 1.384 178.128 176.600 0.240 0.000 1.007 660 E CA 0.989 57.512 56.400 0.206 0.000 0.845 660 E CB -0.256 29.444 29.700 0.001 0.000 0.766 660 E HN 0.363 nan 8.360 nan 0.000 0.507 661 Y N -1.613 118.782 120.300 0.158 0.000 2.490 661 Y HA 0.066 4.585 4.550 -0.052 0.000 0.285 661 Y C 0.752 176.756 175.900 0.174 0.000 1.117 661 Y CA -0.267 57.895 58.100 0.104 0.000 1.262 661 Y CB -0.406 38.053 38.460 -0.001 0.000 1.043 661 Y HN 0.018 nan 8.280 nan 0.000 0.553 662 Y N 1.984 122.434 120.300 0.250 0.000 2.340 662 Y HA 0.260 4.779 4.550 -0.053 0.000 0.327 662 Y C 0.336 176.444 175.900 0.345 0.000 1.321 662 Y CA -1.926 56.328 58.100 0.257 0.000 1.433 662 Y CB 0.270 38.911 38.460 0.302 0.000 1.373 662 Y HN 0.185 nan 8.280 nan 0.000 0.538 663 D N -0.747 119.441 120.400 -0.353 0.000 2.362 663 D HA 0.112 4.721 4.640 -0.052 0.000 0.242 663 D C 0.919 177.223 176.300 0.006 0.000 1.132 663 D CA 0.291 54.140 54.000 -0.252 0.000 0.907 663 D CB 0.894 41.346 40.800 -0.580 0.000 1.195 663 D HN 0.475 nan 8.370 nan 0.000 0.429 664 S N 1.138 116.853 115.700 0.025 0.000 2.365 664 S HA -0.245 4.194 4.470 -0.052 0.000 0.225 664 S C 1.925 176.559 174.600 0.057 0.000 1.039 664 S CA 1.231 59.487 58.200 0.093 0.000 1.033 664 S CB -1.015 62.251 63.200 0.109 0.000 0.887 664 S HN 0.436 nan 8.310 nan 0.000 0.447 665 V N 0.854 120.741 119.914 -0.045 0.000 2.255 665 V HA -0.183 3.906 4.120 -0.052 0.000 0.247 665 V C 2.273 178.267 176.094 -0.166 0.000 1.051 665 V CA 2.237 64.408 62.300 -0.216 0.000 1.018 665 V CB -1.029 30.520 31.823 -0.457 0.000 0.641 665 V HN 0.597 nan 8.190 nan 0.000 0.445 666 Y N 1.174 121.396 120.300 -0.130 0.000 2.153 666 Y HA -0.229 4.291 4.550 -0.051 0.000 0.289 666 Y C 2.751 178.612 175.900 -0.065 0.000 1.127 666 Y CA 2.334 60.422 58.100 -0.019 0.000 1.131 666 Y CB -0.475 38.184 38.460 0.332 0.000 0.995 666 Y HN 0.223 nan 8.280 nan 0.000 0.505 667 T N 0.381 115.155 114.554 0.368 0.000 2.652 667 T HA -0.221 4.098 4.350 -0.052 0.000 0.267 667 T C 1.534 176.200 174.700 -0.057 0.000 1.039 667 T CA 2.010 64.242 62.100 0.219 0.000 1.153 667 T CB -0.369 68.769 68.868 0.449 0.000 0.863 667 T HN 0.435 nan 8.240 nan 0.000 0.428 668 E N 0.489 120.691 120.200 0.003 0.000 2.204 668 E HA -0.080 4.239 4.350 -0.052 0.000 0.194 668 E C 2.352 178.838 176.600 -0.190 0.000 0.989 668 E CA 0.381 56.778 56.400 -0.005 0.000 0.824 668 E CB -0.119 29.628 29.700 0.080 0.000 0.756 668 E HN 0.326 nan 8.360 nan 0.000 0.477 669 R N 0.087 120.312 120.500 -0.459 0.000 2.103 669 R HA -0.208 4.100 4.340 -0.052 0.000 0.242 669 R C 1.254 177.049 176.300 -0.842 0.000 1.142 669 R CA 1.727 57.357 56.100 -0.784 0.000 0.960 669 R CB -0.021 29.433 30.300 -1.411 0.000 0.858 669 R HN 0.260 nan 8.270 nan 0.000 0.439 670 Y N -2.367 117.639 120.300 -0.491 0.000 2.507 670 Y HA 0.218 4.737 4.550 -0.052 0.000 0.263 670 Y C 1.679 177.408 175.900 -0.285 0.000 1.093 670 Y CA 0.027 57.833 58.100 -0.492 0.000 1.285 670 Y CB 0.440 38.473 38.460 -0.712 0.000 1.115 670 Y HN -0.044 nan 8.280 nan 0.000 0.533 671 M N -0.387 119.115 119.600 -0.164 0.000 2.313 671 M HA 0.372 4.821 4.480 -0.052 0.000 0.273 671 M C 1.006 177.336 176.300 0.049 0.000 1.049 671 M CA 0.695 55.892 55.300 -0.172 0.000 1.004 671 M CB -0.207 32.076 32.600 -0.527 0.000 1.461 671 M HN 0.328 nan 8.290 nan 0.000 0.514 672 G N 1.906 110.756 108.800 0.083 0.000 2.645 672 G HA2 -0.222 3.707 3.960 -0.052 0.000 0.246 672 G HA3 -0.222 3.707 3.960 -0.052 0.000 0.246 672 G C -0.738 174.316 174.900 0.256 0.000 1.322 672 G CA -0.794 44.394 45.100 0.146 0.000 0.898 672 G HN 0.258 nan 8.290 nan 0.000 0.573 673 L N 2.307 123.634 121.223 0.175 0.000 2.350 673 L HA 0.477 4.786 4.340 -0.052 0.000 0.275 673 L C -1.244 175.615 176.870 -0.018 0.000 1.099 673 L CA -1.562 53.330 54.840 0.086 0.000 0.808 673 L CB 1.167 43.244 42.059 0.030 0.000 1.149 673 L HN 0.416 nan 8.230 nan 0.000 0.442 674 P HA 0.083 nan 4.420 nan 0.000 0.225 674 P C -0.652 176.485 177.300 -0.271 0.000 1.768 674 P CA -0.187 62.457 63.100 -0.761 0.000 0.943 674 P CB -0.564 30.397 31.700 -1.233 0.000 1.936 675 T N -3.320 111.170 114.554 -0.106 0.000 2.885 675 T HA 0.464 4.783 4.350 -0.052 0.000 0.285 675 T C -2.205 172.493 174.700 -0.003 0.000 1.019 675 T CA -2.579 59.494 62.100 -0.046 0.000 1.010 675 T CB 1.921 70.774 68.868 -0.025 0.000 1.022 675 T HN -0.294 nan 8.240 nan 0.000 0.466 676 P HA -0.158 nan 4.420 nan 0.000 0.217 676 P C 1.222 178.537 177.300 0.026 0.000 1.151 676 P CA 1.118 64.228 63.100 0.018 0.000 0.849 676 P CB 0.098 31.805 31.700 0.011 0.000 0.787 677 E N -1.623 118.589 120.200 0.019 0.000 2.403 677 E HA 0.009 4.328 4.350 -0.052 0.000 0.188 677 E C 0.438 177.055 176.600 0.029 0.000 1.056 677 E CA 0.406 56.818 56.400 0.021 0.000 0.892 677 E CB -0.231 29.476 29.700 0.013 0.000 1.049 677 E HN 0.218 nan 8.360 nan 0.000 0.465 678 D N 0.849 121.275 120.400 0.043 0.000 2.973 678 D HA 0.049 4.658 4.640 -0.052 0.000 0.187 678 D C 0.180 176.538 176.300 0.096 0.000 1.467 678 D CA 0.042 54.079 54.000 0.062 0.000 1.515 678 D CB -0.013 40.825 40.800 0.064 0.000 1.182 678 D HN 0.088 nan 8.370 nan 0.000 0.213 679 N N -0.103 118.685 118.700 0.146 0.000 2.301 679 N HA 0.103 4.811 4.740 -0.052 0.000 0.247 679 N C 0.870 176.576 175.510 0.326 0.000 1.347 679 N CA -0.039 53.146 53.050 0.226 0.000 0.844 679 N CB 0.312 38.958 38.487 0.264 0.000 1.332 679 N HN 0.089 nan 8.380 nan 0.000 0.494 680 L N 0.614 121.951 121.223 0.190 0.000 2.043 680 L HA -0.131 4.178 4.340 -0.052 0.000 0.212 680 L C 1.276 178.263 176.870 0.195 0.000 1.075 680 L CA 1.964 56.893 54.840 0.148 0.000 0.752 680 L CB -0.433 41.648 42.059 0.035 0.000 0.891 680 L HN 0.148 nan 8.230 nan 0.000 0.432 681 D N -1.312 119.183 120.400 0.159 0.000 2.126 681 D HA -0.280 4.329 4.640 -0.052 0.000 0.190 681 D C 2.115 178.526 176.300 0.185 0.000 1.001 681 D CA 1.933 56.019 54.000 0.142 0.000 0.841 681 D CB -0.170 40.701 40.800 0.118 0.000 0.949 681 D HN 0.575 nan 8.370 nan 0.000 0.446 682 H N -1.169 117.968 119.070 0.112 0.000 2.470 682 H HA -0.005 4.520 4.556 -0.052 0.000 0.289 682 H C 1.686 177.072 175.328 0.095 0.000 1.033 682 H CA 0.984 57.074 56.048 0.070 0.000 1.331 682 H CB -0.277 29.490 29.762 0.009 0.000 1.414 682 H HN 0.162 nan 8.280 nan 0.000 0.545 683 Y N 0.569 120.870 120.300 0.001 0.000 2.081 683 Y HA -0.233 4.286 4.550 -0.052 0.000 0.280 683 Y C 2.444 178.314 175.900 -0.051 0.000 1.163 683 Y CA 1.769 59.865 58.100 -0.006 0.000 1.135 683 Y CB 0.045 38.528 38.460 0.037 0.000 0.970 683 Y HN 0.125 nan 8.280 nan 0.000 0.498 684 R N -0.148 120.436 120.500 0.141 0.000 2.189 684 R HA -0.095 4.214 4.340 -0.052 0.000 0.218 684 R C 1.389 177.694 176.300 0.009 0.000 1.074 684 R CA 0.754 56.887 56.100 0.055 0.000 0.991 684 R CB -0.669 29.663 30.300 0.054 0.000 0.883 684 R HN 0.488 nan 8.270 nan 0.000 0.457 685 N N 0.601 119.291 118.700 -0.016 0.000 2.353 685 N HA -0.035 4.674 4.740 -0.052 0.000 0.185 685 N C -0.067 175.397 175.510 -0.075 0.000 1.098 685 N CA 0.357 53.399 53.050 -0.014 0.000 0.872 685 N CB 0.492 39.028 38.487 0.081 0.000 0.970 685 N HN 0.092 nan 8.380 nan 0.000 0.467 686 S N -0.381 115.222 115.700 -0.162 0.000 2.809 686 S HA 0.088 4.526 4.470 -0.052 0.000 0.248 686 S C 0.243 174.868 174.600 0.042 0.000 1.071 686 S CA -0.785 57.359 58.200 -0.093 0.000 1.059 686 S CB -0.031 63.004 63.200 -0.274 0.000 0.923 686 S HN 0.132 nan 8.310 nan 0.000 0.516 687 T N -1.237 113.307 114.554 -0.017 0.000 2.909 687 T HA 0.481 4.800 4.350 -0.052 0.000 0.286 687 T C 1.322 176.008 174.700 -0.023 0.000 1.002 687 T CA -0.126 61.950 62.100 -0.040 0.000 1.074 687 T CB 1.518 70.338 68.868 -0.079 0.000 0.984 687 T HN 0.513 nan 8.240 nan 0.000 0.495 688 V N 2.821 122.719 119.914 -0.026 0.000 2.667 688 V HA -0.040 4.049 4.120 -0.052 0.000 0.252 688 V C 2.166 178.236 176.094 -0.039 0.000 1.065 688 V CA 1.397 63.674 62.300 -0.038 0.000 1.083 688 V CB -1.104 30.691 31.823 -0.046 0.000 0.692 688 V HN 0.879 nan 8.190 nan 0.000 0.468 689 M N 2.364 121.925 119.600 -0.065 0.000 2.082 689 M HA -0.173 4.276 4.480 -0.052 0.000 0.258 689 M C 2.493 178.770 176.300 -0.039 0.000 1.069 689 M CA 2.642 57.899 55.300 -0.071 0.000 1.102 689 M CB -1.117 31.450 32.600 -0.055 0.000 1.336 689 M HN 0.728 nan 8.290 nan 0.000 0.404 690 S N -0.308 115.378 115.700 -0.024 0.000 2.493 690 S HA -0.129 4.309 4.470 -0.052 0.000 0.243 690 S C 1.803 176.407 174.600 0.005 0.000 0.991 690 S CA 0.965 59.159 58.200 -0.009 0.000 0.957 690 S CB -0.544 62.650 63.200 -0.009 0.000 0.756 690 S HN 0.547 nan 8.310 nan 0.000 0.521 691 R N 0.190 120.703 120.500 0.021 0.000 2.362 691 R HA 0.430 4.739 4.340 -0.052 0.000 0.227 691 R C 2.344 178.730 176.300 0.144 0.000 0.905 691 R CA 0.442 56.574 56.100 0.054 0.000 1.067 691 R CB -0.274 30.046 30.300 0.034 0.000 1.078 691 R HN 0.478 nan 8.270 nan 0.000 0.516 692 A N 1.856 124.731 122.820 0.092 0.000 1.896 692 A HA -0.332 3.956 4.320 -0.052 0.000 0.220 692 A C 2.013 179.685 177.584 0.147 0.000 1.206 692 A CA 2.156 54.231 52.037 0.062 0.000 0.647 692 A CB -0.424 18.542 19.000 -0.056 0.000 0.828 692 A HN 0.277 nan 8.150 nan 0.000 0.455 693 E N 0.457 120.708 120.200 0.085 0.000 2.114 693 E HA -0.224 4.095 4.350 -0.052 0.000 0.199 693 E C 1.640 178.291 176.600 0.085 0.000 1.008 693 E CA 1.931 58.374 56.400 0.072 0.000 0.810 693 E CB -0.325 29.400 29.700 0.041 0.000 0.739 693 E HN 0.630 nan 8.360 nan 0.000 0.456 694 N N -0.581 118.159 118.700 0.067 0.000 2.453 694 N HA -0.116 4.593 4.740 -0.052 0.000 0.183 694 N C 1.037 176.517 175.510 -0.050 0.000 1.041 694 N CA 0.568 53.610 53.050 -0.013 0.000 0.900 694 N CB -0.296 38.135 38.487 -0.093 0.000 0.961 694 N HN 0.228 nan 8.380 nan 0.000 0.443 695 F N 1.340 121.244 119.950 -0.077 0.000 2.604 695 F HA 0.038 4.533 4.527 -0.053 0.000 0.298 695 F C 1.946 177.750 175.800 0.006 0.000 1.131 695 F CA 0.571 58.522 58.000 -0.081 0.000 1.457 695 F CB 0.005 38.904 39.000 -0.169 0.000 1.095 695 F HN -0.056 nan 8.300 nan 0.000 0.574 696 K N -0.010 120.489 120.400 0.165 0.000 2.281 696 K HA -0.210 4.079 4.320 -0.052 0.000 0.203 696 K C 1.524 178.184 176.600 0.100 0.000 1.046 696 K CA 1.263 57.626 56.287 0.127 0.000 0.938 696 K CB -0.166 32.389 32.500 0.090 0.000 0.737 696 K HN 0.433 nan 8.250 nan 0.000 0.458 697 Q N -0.018 119.822 119.800 0.066 0.000 2.319 697 Q HA 0.043 4.352 4.340 -0.052 0.000 0.202 697 Q C 0.062 176.103 176.000 0.069 0.000 0.896 697 Q CA -0.012 55.821 55.803 0.049 0.000 0.942 697 Q CB 0.849 29.596 28.738 0.014 0.000 1.083 697 Q HN 0.106 nan 8.270 nan 0.000 0.510 698 V N -3.050 116.924 119.914 0.099 0.000 3.040 698 V HA 0.474 4.563 4.120 -0.052 0.000 0.312 698 V C -1.047 175.196 176.094 0.249 0.000 1.115 698 V CA -1.300 61.087 62.300 0.145 0.000 0.998 698 V CB 2.298 34.170 31.823 0.082 0.000 1.042 698 V HN -0.059 nan 8.190 nan 0.000 0.433 699 E N 1.779 122.149 120.200 0.284 0.000 2.152 699 E HA 0.414 4.733 4.350 -0.052 0.000 0.285 699 E C -1.791 175.196 176.600 0.645 0.000 1.043 699 E CA -0.261 56.377 56.400 0.397 0.000 0.839 699 E CB 1.243 31.084 29.700 0.236 0.000 1.069 699 E HN 0.671 nan 8.360 nan 0.000 0.399 700 Y N 3.799 124.381 120.300 0.469 0.000 2.376 700 Y HA 0.439 4.958 4.550 -0.050 0.000 0.340 700 Y C -1.558 174.430 175.900 0.146 0.000 0.965 700 Y CA -1.426 56.881 58.100 0.346 0.000 1.078 700 Y CB 0.989 39.676 38.460 0.379 0.000 1.193 700 Y HN 0.409 nan 8.280 nan 0.000 0.452 701 L N 7.657 128.526 121.223 -0.590 0.000 2.325 701 L HA 0.639 4.948 4.340 -0.052 0.000 0.281 701 L C -2.207 174.185 176.870 -0.796 0.000 1.004 701 L CA -0.776 53.597 54.840 -0.777 0.000 0.823 701 L CB 1.395 42.655 42.059 -1.331 0.000 1.236 701 L HN 0.628 nan 8.230 nan 0.000 0.415 702 L N 6.726 127.614 121.223 -0.558 0.000 2.325 702 L HA 0.702 5.011 4.340 -0.052 0.000 0.281 702 L C -1.240 175.511 176.870 -0.198 0.000 1.004 702 L CA -0.102 54.461 54.840 -0.461 0.000 0.823 702 L CB 1.215 43.045 42.059 -0.382 0.000 1.236 702 L HN 0.579 nan 8.230 nan 0.000 0.415 703 I N 4.438 124.901 120.570 -0.179 0.000 2.608 703 I HA 0.480 4.619 4.170 -0.052 0.000 0.295 703 I C -1.191 174.920 176.117 -0.010 0.000 1.049 703 I CA -0.769 60.483 61.300 -0.079 0.000 1.063 703 I CB 2.122 40.035 38.000 -0.146 0.000 1.248 703 I HN 0.701 nan 8.210 nan 0.000 0.424 704 H N 2.055 121.191 119.070 0.110 0.000 3.123 704 H HA 0.432 4.957 4.556 -0.051 0.000 0.346 704 H C -0.441 175.138 175.328 0.420 0.000 1.138 704 H CA -0.563 55.607 56.048 0.204 0.000 1.273 704 H CB 1.955 31.796 29.762 0.131 0.000 1.926 704 H HN 0.777 nan 8.280 nan 0.000 0.524 705 G N 0.942 110.111 108.800 0.615 0.000 2.415 705 G HA2 0.244 4.173 3.960 -0.052 0.000 0.269 705 G HA3 0.244 4.173 3.960 -0.052 0.000 0.269 705 G C 1.130 176.304 174.900 0.456 0.000 1.209 705 G CA 0.130 45.535 45.100 0.509 0.000 0.835 705 G HN 0.732 nan 8.290 nan 0.000 0.534 706 T N -0.860 113.815 114.554 0.201 0.000 3.023 706 T HA 0.119 4.438 4.350 -0.052 0.000 0.266 706 T C 1.628 176.321 174.700 -0.012 0.000 1.093 706 T CA 1.183 63.217 62.100 -0.110 0.000 1.129 706 T CB 0.186 68.929 68.868 -0.208 0.000 0.899 706 T HN 0.699 nan 8.240 nan 0.000 0.491 707 A N 1.301 124.191 122.820 0.118 0.000 2.842 707 A HA 0.334 4.623 4.320 -0.052 0.000 0.298 707 A C 0.262 177.840 177.584 -0.010 0.000 1.293 707 A CA -0.538 51.570 52.037 0.119 0.000 0.959 707 A CB -0.352 18.970 19.000 0.537 0.000 1.119 707 A HN 0.373 nan 8.150 nan 0.000 0.564 708 D N 1.371 121.751 120.400 -0.034 0.000 2.352 708 D HA 0.020 4.629 4.640 -0.052 0.000 0.245 708 D C 0.340 176.589 176.300 -0.085 0.000 1.224 708 D CA -0.045 54.034 54.000 0.132 0.000 0.879 708 D CB 0.752 41.798 40.800 0.411 0.000 1.057 708 D HN 0.562 nan 8.370 nan 0.000 0.491 709 D N 2.155 122.550 120.400 -0.008 0.000 2.355 709 D HA -0.096 4.513 4.640 -0.052 0.000 0.218 709 D C 0.904 177.160 176.300 -0.073 0.000 1.004 709 D CA 0.118 54.042 54.000 -0.127 0.000 0.880 709 D CB 0.346 41.002 40.800 -0.239 0.000 0.911 709 D HN 0.407 nan 8.370 nan 0.000 0.528 710 N N -0.127 118.632 118.700 0.098 0.000 2.426 710 N HA -0.001 4.708 4.740 -0.052 0.000 0.205 710 N C -0.253 175.203 175.510 -0.090 0.000 1.040 710 N CA 0.110 53.268 53.050 0.180 0.000 0.990 710 N CB 0.842 39.459 38.487 0.217 0.000 1.215 710 N HN -0.181 nan 8.380 nan 0.000 0.491 711 V N 2.427 122.280 119.914 -0.101 0.000 2.304 711 V HA 0.216 4.305 4.120 -0.052 0.000 0.269 711 V C -0.919 175.210 176.094 0.058 0.000 1.036 711 V CA -0.358 61.906 62.300 -0.060 0.000 0.840 711 V CB 0.020 31.815 31.823 -0.047 0.000 1.036 711 V HN 0.345 nan 8.190 nan 0.000 0.466 712 H N 3.265 122.310 119.070 -0.041 0.000 2.871 712 H HA 0.016 4.540 4.556 -0.053 0.000 0.355 712 H C 0.801 175.978 175.328 -0.251 0.000 1.092 712 H CA -0.101 55.838 56.048 -0.181 0.000 1.420 712 H CB 0.795 30.357 29.762 -0.334 0.000 1.400 712 H HN 0.621 nan 8.280 nan 0.000 0.604 713 F N 1.857 121.582 119.950 -0.375 0.000 2.192 713 F HA -0.309 4.186 4.527 -0.054 0.000 0.301 713 F C 2.555 178.058 175.800 -0.495 0.000 1.079 713 F CA 1.749 59.305 58.000 -0.740 0.000 1.303 713 F CB -0.212 38.562 39.000 -0.378 0.000 1.024 713 F HN 0.666 nan 8.300 nan 0.000 0.494 714 Q N 0.178 119.823 119.800 -0.259 0.000 2.142 714 Q HA -0.344 3.965 4.340 -0.052 0.000 0.213 714 Q C 2.115 177.857 176.000 -0.431 0.000 1.004 714 Q CA 2.564 58.163 55.803 -0.340 0.000 0.883 714 Q CB -0.355 28.154 28.738 -0.381 0.000 0.939 714 Q HN 0.616 nan 8.270 nan 0.000 0.413 715 Q N -0.713 118.875 119.800 -0.352 0.000 2.119 715 Q HA -0.095 4.214 4.340 -0.052 0.000 0.201 715 Q C 2.199 178.095 176.000 -0.174 0.000 0.972 715 Q CA 1.536 57.249 55.803 -0.150 0.000 0.847 715 Q CB 0.049 28.788 28.738 0.001 0.000 0.903 715 Q HN 0.310 nan 8.270 nan 0.000 0.433 716 S N 0.621 116.111 115.700 -0.349 0.000 2.425 716 S HA 0.014 4.453 4.470 -0.052 0.000 0.225 716 S C 2.042 176.386 174.600 -0.428 0.000 1.024 716 S CA 0.652 58.645 58.200 -0.344 0.000 0.951 716 S CB -0.030 62.971 63.200 -0.330 0.000 0.796 716 S HN 0.452 nan 8.310 nan 0.000 0.498 717 A N 1.529 123.992 122.820 -0.595 0.000 1.940 717 A HA -0.147 4.142 4.320 -0.052 0.000 0.219 717 A C 2.122 179.593 177.584 -0.189 0.000 1.176 717 A CA 1.195 53.014 52.037 -0.364 0.000 0.631 717 A CB -0.420 18.415 19.000 -0.276 0.000 0.814 717 A HN 0.365 nan 8.150 nan 0.000 0.446 718 Q N -0.491 119.206 119.800 -0.171 0.000 2.123 718 Q HA -0.008 4.301 4.340 -0.052 0.000 0.199 718 Q C 2.140 178.083 176.000 -0.096 0.000 0.966 718 Q CA 1.033 56.792 55.803 -0.072 0.000 0.845 718 Q CB -0.340 28.431 28.738 0.055 0.000 0.907 718 Q HN 0.779 nan 8.270 nan 0.000 0.439 719 I N 1.261 121.744 120.570 -0.144 0.000 2.179 719 I HA -0.297 3.842 4.170 -0.052 0.000 0.242 719 I C 2.570 178.505 176.117 -0.304 0.000 1.088 719 I CA 1.508 62.675 61.300 -0.222 0.000 1.357 719 I CB -0.440 37.428 38.000 -0.221 0.000 1.051 719 I HN 0.190 nan 8.210 nan 0.000 0.409 720 S N 0.944 116.490 115.700 -0.257 0.000 2.359 720 S HA -0.297 4.141 4.470 -0.052 0.000 0.224 720 S C 2.027 176.589 174.600 -0.064 0.000 1.035 720 S CA 1.546 59.627 58.200 -0.198 0.000 1.018 720 S CB -0.550 62.695 63.200 0.076 0.000 0.876 720 S HN 0.362 nan 8.310 nan 0.000 0.448 721 K N 1.859 122.232 120.400 -0.045 0.000 2.074 721 K HA -0.072 4.217 4.320 -0.052 0.000 0.209 721 K C 2.275 178.855 176.600 -0.033 0.000 1.048 721 K CA 1.359 57.639 56.287 -0.012 0.000 0.926 721 K CB -0.711 31.778 32.500 -0.018 0.000 0.713 721 K HN 0.467 nan 8.250 nan 0.000 0.444 722 A N 0.788 123.557 122.820 -0.086 0.000 1.969 722 A HA -0.074 4.214 4.320 -0.052 0.000 0.218 722 A C 2.057 179.577 177.584 -0.108 0.000 1.169 722 A CA 1.182 53.165 52.037 -0.090 0.000 0.635 722 A CB -0.474 18.458 19.000 -0.113 0.000 0.810 722 A HN 0.323 nan 8.150 nan 0.000 0.445 723 L N -0.724 120.383 121.223 -0.193 0.000 2.156 723 L HA -0.106 4.202 4.340 -0.052 0.000 0.208 723 L C 2.435 179.338 176.870 0.055 0.000 1.095 723 L CA 0.679 55.416 54.840 -0.173 0.000 0.770 723 L CB -0.503 41.248 42.059 -0.515 0.000 0.914 723 L HN 0.222 nan 8.230 nan 0.000 0.439 724 V N -0.179 119.802 119.914 0.111 0.000 2.358 724 V HA -0.265 3.824 4.120 -0.052 0.000 0.246 724 V C 1.999 178.137 176.094 0.072 0.000 1.047 724 V CA 1.804 64.188 62.300 0.139 0.000 1.035 724 V CB -0.486 31.417 31.823 0.134 0.000 0.658 724 V HN 0.413 nan 8.190 nan 0.000 0.452 725 D N 0.383 120.806 120.400 0.038 0.000 2.218 725 D HA -0.109 4.499 4.640 -0.052 0.000 0.204 725 D C 1.748 178.064 176.300 0.027 0.000 0.976 725 D CA 1.676 55.691 54.000 0.025 0.000 0.853 725 D CB -0.091 40.715 40.800 0.010 0.000 0.939 725 D HN 0.565 nan 8.370 nan 0.000 0.481 726 V N -3.813 116.119 119.914 0.030 0.000 3.483 726 V HA 0.513 4.602 4.120 -0.052 0.000 0.301 726 V C 1.196 177.323 176.094 0.055 0.000 1.389 726 V CA 0.280 62.601 62.300 0.036 0.000 1.101 726 V CB -0.051 31.791 31.823 0.031 0.000 0.971 726 V HN 0.137 nan 8.190 nan 0.000 0.434 727 G N 0.587 109.428 108.800 0.069 0.000 2.246 727 G HA2 -0.189 3.739 3.960 -0.052 0.000 0.273 727 G HA3 -0.189 3.739 3.960 -0.052 0.000 0.273 727 G C -0.063 174.901 174.900 0.107 0.000 1.055 727 G CA 0.272 45.420 45.100 0.080 0.000 0.851 727 G HN 0.859 nan 8.290 nan 0.000 0.500 728 V N 0.540 120.539 119.914 0.143 0.000 2.432 728 V HA 0.419 4.508 4.120 -0.052 0.000 0.275 728 V C 0.531 176.802 176.094 0.295 0.000 1.043 728 V CA -0.489 61.928 62.300 0.194 0.000 0.925 728 V CB 1.688 33.620 31.823 0.182 0.000 0.985 728 V HN 0.448 nan 8.190 nan 0.000 0.466 729 D N 4.164 124.706 120.400 0.238 0.000 2.304 729 D HA 0.556 5.165 4.640 -0.052 0.000 0.247 729 D C -0.531 175.985 176.300 0.360 0.000 1.089 729 D CA 0.230 54.351 54.000 0.201 0.000 0.910 729 D CB 0.718 41.578 40.800 0.098 0.000 1.199 729 D HN 0.365 nan 8.370 nan 0.000 0.426 730 F N -0.736 119.291 119.950 0.128 0.000 2.817 730 F HA 0.457 4.952 4.527 -0.053 0.000 0.317 730 F C -1.373 174.490 175.800 0.106 0.000 1.168 730 F CA -1.112 56.990 58.000 0.171 0.000 0.911 730 F CB 0.889 40.021 39.000 0.219 0.000 1.337 730 F HN 0.164 nan 8.300 nan 0.000 0.464 731 Q N 1.217 121.118 119.800 0.168 0.000 2.309 731 Q HA 0.824 5.133 4.340 -0.052 0.000 0.264 731 Q C -1.097 174.921 176.000 0.030 0.000 1.008 731 Q CA -1.271 54.530 55.803 -0.003 0.000 0.853 731 Q CB 2.376 31.164 28.738 0.084 0.000 1.314 731 Q HN 0.946 nan 8.270 nan 0.000 0.448 732 A N 1.996 124.796 122.820 -0.034 0.000 2.469 732 A HA 0.885 5.174 4.320 -0.052 0.000 0.299 732 A C -1.404 176.126 177.584 -0.090 0.000 1.098 732 A CA -0.606 51.444 52.037 0.021 0.000 0.737 732 A CB 1.880 20.970 19.000 0.150 0.000 1.312 732 A HN 0.647 nan 8.150 nan 0.000 0.414 733 M N 1.427 120.951 119.600 -0.127 0.000 2.265 733 M HA 0.530 4.979 4.480 -0.052 0.000 0.262 733 M C -1.882 174.278 176.300 -0.234 0.000 1.026 733 M CA -0.509 54.552 55.300 -0.398 0.000 0.987 733 M CB 0.976 33.230 32.600 -0.576 0.000 1.937 733 M HN 0.897 nan 8.290 nan 0.000 0.481 734 W N 4.111 125.286 121.300 -0.209 0.000 2.375 734 W HA 0.754 5.384 4.660 -0.050 0.000 0.336 734 W C -1.868 174.415 176.519 -0.393 0.000 1.160 734 W CA -0.718 56.583 57.345 -0.074 0.000 1.266 734 W CB 0.241 29.692 29.460 -0.015 0.000 1.195 734 W HN 0.604 nan 8.180 nan 0.000 0.599 735 Y N 2.069 122.496 120.300 0.212 0.000 2.345 735 Y HA 0.302 4.825 4.550 -0.046 0.000 0.331 735 Y C 0.484 176.498 175.900 0.191 0.000 0.959 735 Y CA -1.071 57.080 58.100 0.084 0.000 1.204 735 Y CB 1.427 39.916 38.460 0.050 0.000 1.135 735 Y HN 0.408 nan 8.280 nan 0.000 0.477 736 T N 4.709 119.424 114.554 0.268 0.000 2.829 736 T HA 0.016 4.334 4.350 -0.052 0.000 0.293 736 T C 0.101 174.870 174.700 0.115 0.000 0.970 736 T CA 0.466 62.671 62.100 0.175 0.000 1.168 736 T CB -0.116 68.794 68.868 0.070 0.000 0.911 736 T HN 0.713 nan 8.240 nan 0.000 0.535 737 D N 0.797 121.241 120.400 0.072 0.000 3.028 737 D HA -0.122 4.487 4.640 -0.052 0.000 0.207 737 D C 0.281 176.695 176.300 0.190 0.000 1.100 737 D CA 1.128 55.096 54.000 -0.054 0.000 0.995 737 D CB -0.409 40.153 40.800 -0.395 0.000 1.108 737 D HN 0.555 nan 8.370 nan 0.000 0.421 738 E N 0.998 121.341 120.200 0.238 0.000 2.343 738 E HA 0.344 4.663 4.350 -0.052 0.000 0.269 738 E C 0.757 177.548 176.600 0.319 0.000 1.047 738 E CA -0.192 56.374 56.400 0.277 0.000 0.874 738 E CB 1.116 30.971 29.700 0.259 0.000 1.033 738 E HN 0.373 nan 8.360 nan 0.000 0.409 739 D N -0.546 120.055 120.400 0.335 0.000 2.560 739 D HA 0.010 4.619 4.640 -0.052 0.000 0.277 739 D C 1.062 177.606 176.300 0.407 0.000 1.194 739 D CA -0.271 53.951 54.000 0.369 0.000 1.092 739 D CB -0.182 40.860 40.800 0.403 0.000 1.169 739 D HN 0.400 nan 8.370 nan 0.000 0.607 740 H N -1.431 117.834 119.070 0.325 0.000 2.457 740 H HA 0.056 4.582 4.556 -0.049 0.000 0.297 740 H C 1.916 177.522 175.328 0.463 0.000 1.092 740 H CA 2.242 58.509 56.048 0.364 0.000 1.309 740 H CB -0.429 29.529 29.762 0.328 0.000 1.382 740 H HN 0.497 nan 8.280 nan 0.000 0.535 741 G N -0.162 108.818 108.800 0.300 0.000 2.551 741 G HA2 -0.014 3.915 3.960 -0.052 0.000 0.216 741 G HA3 -0.014 3.915 3.960 -0.052 0.000 0.216 741 G C 0.604 175.690 174.900 0.310 0.000 1.137 741 G CA 0.336 45.528 45.100 0.153 0.000 0.798 741 G HN 0.526 nan 8.290 nan 0.000 0.536 742 I N 0.105 120.880 120.570 0.343 0.000 6.347 742 I HA -0.317 3.822 4.170 -0.052 0.000 0.126 742 I C 1.540 177.793 176.117 0.227 0.000 1.576 742 I CA 0.098 61.549 61.300 0.252 0.000 2.463 742 I CB -1.321 36.794 38.000 0.192 0.000 2.990 742 I HN 0.265 nan 8.210 nan 0.000 0.281 743 A N 0.930 123.858 122.820 0.180 0.000 2.197 743 A HA 0.228 4.517 4.320 -0.052 0.000 0.210 743 A C 1.211 178.855 177.584 0.099 0.000 1.180 743 A CA 0.308 52.420 52.037 0.125 0.000 0.846 743 A CB 0.235 19.286 19.000 0.086 0.000 0.884 743 A HN 0.464 nan 8.150 nan 0.000 0.487 744 S N 0.732 116.503 115.700 0.117 0.000 2.573 744 S HA 0.030 4.469 4.470 -0.052 0.000 0.297 744 S C 1.518 176.177 174.600 0.098 0.000 1.280 744 S CA 0.506 58.766 58.200 0.100 0.000 1.061 744 S CB 0.899 64.162 63.200 0.105 0.000 0.812 744 S HN 0.592 nan 8.310 nan 0.000 0.500 745 S N 3.029 118.769 115.700 0.066 0.000 2.380 745 S HA -0.242 4.197 4.470 -0.052 0.000 0.229 745 S C 2.317 176.975 174.600 0.096 0.000 1.050 745 S CA 2.431 60.669 58.200 0.063 0.000 1.100 745 S CB -0.891 62.328 63.200 0.032 0.000 0.984 745 S HN 0.987 nan 8.310 nan 0.000 0.434 746 T N -0.344 114.256 114.554 0.077 0.000 2.821 746 T HA 0.160 4.479 4.350 -0.052 0.000 0.267 746 T C 1.942 176.694 174.700 0.088 0.000 1.046 746 T CA 1.417 63.563 62.100 0.076 0.000 1.139 746 T CB -0.879 68.023 68.868 0.056 0.000 0.871 746 T HN 0.489 nan 8.240 nan 0.000 0.454 747 A N 1.417 124.278 122.820 0.068 0.000 1.898 747 A HA -0.046 4.243 4.320 -0.052 0.000 0.216 747 A C 2.184 179.736 177.584 -0.052 0.000 1.181 747 A CA 1.903 53.927 52.037 -0.021 0.000 0.620 747 A CB -1.240 17.721 19.000 -0.065 0.000 0.819 747 A HN 0.770 nan 8.150 nan 0.000 0.442 748 H N -0.043 119.020 119.070 -0.011 0.000 2.319 748 H HA -0.174 4.341 4.556 -0.068 0.000 0.299 748 H C 2.073 177.473 175.328 0.121 0.000 1.092 748 H CA 2.426 58.520 56.048 0.075 0.000 1.302 748 H CB -0.219 29.582 29.762 0.065 0.000 1.373 748 H HN 0.574 nan 8.280 nan 0.000 0.497 749 Q N -1.048 118.743 119.800 -0.014 0.000 2.119 749 Q HA -0.174 4.134 4.340 -0.052 0.000 0.201 749 Q C 2.231 178.213 176.000 -0.029 0.000 0.972 749 Q CA 1.296 57.059 55.803 -0.066 0.000 0.847 749 Q CB -0.167 28.577 28.738 0.010 0.000 0.903 749 Q HN 0.648 nan 8.270 nan 0.000 0.433 750 H N 0.711 119.747 119.070 -0.057 0.000 2.326 750 H HA -0.067 4.455 4.556 -0.056 0.000 0.301 750 H C 2.063 177.378 175.328 -0.022 0.000 1.081 750 H CA 1.323 57.370 56.048 -0.001 0.000 1.334 750 H CB 0.015 29.831 29.762 0.091 0.000 1.385 750 H HN 0.281 nan 8.280 nan 0.000 0.504 751 I N 0.192 120.716 120.570 -0.077 0.000 2.226 751 I HA -0.323 3.816 4.170 -0.052 0.000 0.245 751 I C 1.792 177.642 176.117 -0.445 0.000 1.100 751 I CA 1.268 62.427 61.300 -0.235 0.000 1.374 751 I CB -0.274 37.414 38.000 -0.519 0.000 1.057 751 I HN 0.176 nan 8.210 nan 0.000 0.413 752 Y N 0.891 120.946 120.300 -0.408 0.000 2.242 752 Y HA -0.217 4.313 4.550 -0.033 0.000 0.291 752 Y C 2.707 178.357 175.900 -0.418 0.000 1.137 752 Y CA 1.945 59.688 58.100 -0.595 0.000 1.181 752 Y CB -0.691 37.447 38.460 -0.536 0.000 0.989 752 Y HN 0.150 nan 8.280 nan 0.000 0.527 753 T N -1.495 112.947 114.554 -0.187 0.000 2.708 753 T HA -0.268 4.051 4.350 -0.052 0.000 0.266 753 T C 1.512 175.997 174.700 -0.358 0.000 1.037 753 T CA 1.985 63.916 62.100 -0.282 0.000 1.146 753 T CB -0.524 68.194 68.868 -0.251 0.000 0.865 753 T HN 0.416 nan 8.240 nan 0.000 0.435 754 H N 0.938 119.810 119.070 -0.330 0.000 2.293 754 H HA 0.074 4.597 4.556 -0.055 0.000 0.300 754 H C 2.242 177.506 175.328 -0.107 0.000 1.082 754 H CA 1.678 57.612 56.048 -0.189 0.000 1.308 754 H CB -0.303 29.350 29.762 -0.180 0.000 1.375 754 H HN 0.241 nan 8.280 nan 0.000 0.495 755 M N -0.679 118.814 119.600 -0.178 0.000 2.149 755 M HA -0.187 4.262 4.480 -0.052 0.000 0.261 755 M C 2.401 178.795 176.300 0.157 0.000 1.064 755 M CA 1.584 56.781 55.300 -0.171 0.000 1.102 755 M CB -0.064 32.124 32.600 -0.687 0.000 1.369 755 M HN 0.220 nan 8.290 nan 0.000 0.408 756 S N -0.580 115.224 115.700 0.173 0.000 2.356 756 S HA -0.162 4.277 4.470 -0.052 0.000 0.223 756 S C 1.555 176.270 174.600 0.192 0.000 1.032 756 S CA 1.276 59.710 58.200 0.389 0.000 1.005 756 S CB -0.644 62.784 63.200 0.380 0.000 0.867 756 S HN 0.571 nan 8.310 nan 0.000 0.449 757 H N -0.430 118.697 119.070 0.095 0.000 2.319 757 H HA -0.107 4.420 4.556 -0.048 0.000 0.299 757 H C 1.985 177.307 175.328 -0.010 0.000 1.092 757 H CA 1.743 57.795 56.048 0.008 0.000 1.302 757 H CB -0.259 29.452 29.762 -0.085 0.000 1.373 757 H HN 0.380 nan 8.280 nan 0.000 0.497 758 F N 1.062 120.988 119.950 -0.039 0.000 2.102 758 F HA -0.223 4.272 4.527 -0.054 0.000 0.298 758 F C 2.127 177.874 175.800 -0.088 0.000 1.105 758 F CA 1.058 59.007 58.000 -0.085 0.000 1.239 758 F CB -0.153 38.774 39.000 -0.123 0.000 0.991 758 F HN 0.058 nan 8.300 nan 0.000 0.474 759 I N 0.637 121.242 120.570 0.059 0.000 2.252 759 I HA -0.257 3.882 4.170 -0.052 0.000 0.245 759 I C 2.263 178.202 176.117 -0.297 0.000 1.102 759 I CA 1.458 62.622 61.300 -0.227 0.000 1.385 759 I CB -1.197 36.758 38.000 -0.073 0.000 1.064 759 I HN 0.220 nan 8.210 nan 0.000 0.414 760 K N 0.559 120.931 120.400 -0.046 0.000 2.057 760 K HA -0.254 4.035 4.320 -0.052 0.000 0.207 760 K C 2.040 178.629 176.600 -0.017 0.000 1.049 760 K CA 1.881 58.187 56.287 0.031 0.000 0.931 760 K CB -0.158 32.414 32.500 0.120 0.000 0.714 760 K HN 0.416 nan 8.250 nan 0.000 0.440 761 Q N 0.761 120.508 119.800 -0.089 0.000 2.079 761 Q HA -0.159 4.150 4.340 -0.052 0.000 0.200 761 Q C 2.198 178.095 176.000 -0.172 0.000 0.974 761 Q CA 1.820 57.553 55.803 -0.117 0.000 0.840 761 Q CB -1.104 27.557 28.738 -0.129 0.000 0.898 761 Q HN 0.322 nan 8.270 nan 0.000 0.430 762 c N -0.213 118.173 118.600 -0.357 0.000 2.413 762 c HA -0.056 4.483 4.570 -0.052 0.000 0.277 762 c C 1.638 175.725 174.090 -0.006 0.000 1.265 762 c CA 0.571 56.702 56.329 -0.330 0.000 1.752 762 c CB -1.242 40.914 42.510 -0.591 0.000 1.998 762 c HN 0.628 nan 8.230 nan 0.000 0.489 763 F N 1.677 121.595 119.950 -0.054 0.000 2.732 763 F HA 0.250 4.745 4.527 -0.053 0.000 0.303 763 F C 1.587 177.375 175.800 -0.019 0.000 1.110 763 F CA 0.338 58.327 58.000 -0.019 0.000 1.355 763 F CB -1.190 37.809 39.000 -0.002 0.000 1.081 763 F HN 0.222 nan 8.300 nan 0.000 0.565 764 S N 0.921 116.702 115.700 0.136 0.000 3.631 764 S HA -0.212 4.227 4.470 -0.052 0.000 0.366 764 S C -0.080 174.564 174.600 0.074 0.000 0.993 764 S CA 0.094 58.337 58.200 0.071 0.000 1.167 764 S CB -2.238 60.994 63.200 0.052 0.000 0.909 764 S HN 0.256 nan 8.310 nan 0.000 0.478 765 L N 1.907 123.185 121.223 0.092 0.000 2.272 765 L HA 0.452 4.761 4.340 -0.052 0.000 0.289 765 L C -1.075 175.836 176.870 0.069 0.000 1.032 765 L CA -2.039 52.853 54.840 0.086 0.000 0.810 765 L CB 0.562 42.692 42.059 0.118 0.000 1.205 765 L HN 0.087 nan 8.230 nan 0.000 0.422 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.129 63.100 0.049 0.000 0.800 766 P CB 0.000 31.723 31.700 0.039 0.000 0.726