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 3g0b_1_B DATA FIRST_RESID 34 DATA SEQUENCE HHHHHSRKTY TLTDYLKNTY RLKLYSLRWI SDHEYLYKQE NNILVFNAEY DATA SEQUENCE GNSSVFLENS TFDEFGHSIN DYSISPDGQF ILLEYNYVKQ WRHSYTASYD DATA SEQUENCE IYDLNKRQLI TEERIPNNTQ WVTWSPVGHK LAYVWNNDIY VKIEPNLPSY DATA SEQUENCE RITWTGKEDI IYNGITDWVY EEEVFSAYSA LWWSPNGTFL AYAQFNDTEV DATA SEQUENCE PLIEYSFYSD ESLQYPKTVR VPYPKAGAVN PTVKFFVVNT DSLSSVTNAT DATA SEQUENCE SIQITAPASM LIGDHYLCDV TWATQERISL QWLRRIQNYS VMDIcDYDES DATA SEQUENCE SGRWNcLVAR QHIEMSTTGW VGRFRPSEPH FTLDGNSFYK IISNEEGYRH DATA SEQUENCE IcYFQIDKKD cTFITKGTWE VIGIEALTSD YLYYISNEYK GMPGGRNLYK DATA SEQUENCE IQLSDYTKVT CLSCELNPER cQYYSVSFSK EAKYYQLRcS GPGLPLYTLH DATA SEQUENCE SSVNDKGLRV LEDNSALDKM LQNVQMPSKK LDFIILNETK FWYQMILPPH DATA SEQUENCE FDKSKKYPLL LDVYAGPCSQ KADTVFRLNW ATYLASTENI IVASFDGRGS DATA SEQUENCE GYQGDKIMHA INRRLGTFEV EDQIEAARQF SKMGFVDNKR IAIWGWSYGG DATA SEQUENCE YVTSMVLGSG SGVFKcGIAV APVSRWEYYD SVYTERYMGL PTPEDNLDHY DATA SEQUENCE RNSTVMSRAE NFKQVEYLLI HGTADDNVHF QQSAQISKAL VDVGVDFQAM DATA SEQUENCE WYTDEDHGIA SSTAHQHIYT HMSHFIKQcF SLP 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 34 H HA 0.000 nan 4.556 nan 0.000 0.296 34 H C 0.000 174.958 175.328 -0.617 0.000 0.993 34 H CA 0.000 55.757 56.048 -0.486 0.000 1.023 34 H CB 0.000 29.521 29.762 -0.401 0.000 1.292 35 H N -0.667 118.137 119.070 -0.443 0.000 2.520 35 H HA 0.125 3.446 4.556 -2.058 0.000 0.279 35 H C 0.491 175.656 175.328 -0.270 0.000 0.990 35 H CA 0.854 56.745 56.048 -0.263 0.000 1.288 35 H CB 0.194 29.850 29.762 -0.176 0.000 1.446 35 H HN 0.630 nan 8.280 nan 0.000 0.538 36 H N 0.609 119.290 119.070 -0.647 0.000 2.958 36 H HA -0.217 3.104 4.556 -2.058 0.000 0.274 36 H C -0.419 174.686 175.328 -0.373 0.000 1.184 36 H CA 0.570 56.318 56.048 -0.500 0.000 1.143 36 H CB -2.181 27.343 29.762 -0.397 0.000 1.297 36 H HN 0.676 nan 8.280 nan 0.000 0.356 37 H N -2.759 116.307 119.070 -0.006 0.000 3.080 37 H HA -0.172 3.149 4.556 -2.058 0.000 0.254 37 H C 0.335 175.748 175.328 0.140 0.000 1.179 37 H CA 1.043 57.190 56.048 0.165 0.000 1.144 37 H CB -1.593 28.214 29.762 0.075 0.000 1.261 37 H HN 0.626 nan 8.280 nan 0.000 0.333 38 H N 0.903 120.137 119.070 0.274 0.000 2.871 38 H HA 0.163 3.485 4.556 -2.056 0.000 0.355 38 H C 0.627 176.065 175.328 0.183 0.000 1.092 38 H CA 0.294 56.465 56.048 0.205 0.000 1.420 38 H CB 0.730 30.594 29.762 0.170 0.000 1.400 38 H HN 0.112 nan 8.280 nan 0.000 0.604 39 S N 3.614 119.498 115.700 0.306 0.000 2.465 39 S HA 0.051 3.286 4.470 -2.058 0.000 0.280 39 S C 1.654 176.377 174.600 0.205 0.000 1.232 39 S CA -0.603 57.728 58.200 0.218 0.000 1.066 39 S CB 0.474 63.786 63.200 0.187 0.000 0.929 39 S HN 0.607 nan 8.310 nan 0.000 0.494 40 R N 2.338 122.933 120.500 0.158 0.000 2.419 40 R HA 0.218 3.323 4.340 -2.058 0.000 0.235 40 R C -0.358 176.010 176.300 0.114 0.000 0.899 40 R CA -0.248 55.930 56.100 0.130 0.000 1.048 40 R CB 0.046 30.407 30.300 0.102 0.000 1.182 40 R HN 0.329 nan 8.270 nan 0.000 0.544 41 K N 2.604 123.074 120.400 0.115 0.000 2.382 41 K HA 0.077 3.162 4.320 -2.058 0.000 0.275 41 K C 0.073 176.753 176.600 0.134 0.000 1.009 41 K CA 0.616 56.978 56.287 0.124 0.000 0.970 41 K CB 1.027 33.613 32.500 0.142 0.000 0.934 41 K HN 0.245 nan 8.250 nan 0.000 0.479 42 T N -1.311 113.329 114.554 0.144 0.000 2.940 42 T HA 0.208 3.324 4.350 -2.058 0.000 0.288 42 T C -0.853 173.972 174.700 0.208 0.000 1.045 42 T CA -0.808 61.387 62.100 0.158 0.000 1.018 42 T CB 0.686 69.646 68.868 0.153 0.000 1.151 42 T HN 0.477 nan 8.240 nan 0.000 0.529 43 Y N 2.674 123.025 120.300 0.086 0.000 2.504 43 Y HA 0.408 3.723 4.550 -2.058 0.000 0.351 43 Y C 0.875 176.922 175.900 0.245 0.000 0.988 43 Y CA -0.313 57.864 58.100 0.127 0.000 1.239 43 Y CB -0.030 38.449 38.460 0.031 0.000 1.128 43 Y HN 1.027 nan 8.280 nan 0.000 0.525 44 T N 2.311 116.851 114.554 -0.024 0.000 2.862 44 T HA 0.142 3.257 4.350 -2.058 0.000 0.276 44 T C 0.933 175.529 174.700 -0.174 0.000 0.974 44 T CA -0.727 61.411 62.100 0.064 0.000 0.966 44 T CB 1.194 70.076 68.868 0.024 0.000 1.072 44 T HN 0.670 nan 8.240 nan 0.000 0.538 45 L N 0.853 121.795 121.223 -0.469 0.000 2.046 45 L HA 0.022 3.127 4.340 -2.058 0.000 0.208 45 L C 2.681 179.405 176.870 -0.243 0.000 1.077 45 L CA 2.150 56.610 54.840 -0.633 0.000 0.747 45 L CB -1.501 40.011 42.059 -0.913 0.000 0.896 45 L HN 0.964 nan 8.230 nan 0.000 0.432 46 T N -0.543 113.896 114.554 -0.192 0.000 2.759 46 T HA -0.180 2.935 4.350 -2.058 0.000 0.269 46 T C 1.488 176.110 174.700 -0.130 0.000 1.042 46 T CA 1.463 63.486 62.100 -0.127 0.000 1.140 46 T CB -0.432 68.383 68.868 -0.087 0.000 0.864 46 T HN 0.396 nan 8.240 nan 0.000 0.455 47 D N 0.215 120.510 120.400 -0.176 0.000 2.116 47 D HA -0.114 3.291 4.640 -2.058 0.000 0.193 47 D C 1.765 177.981 176.300 -0.141 0.000 0.998 47 D CA 1.180 55.056 54.000 -0.207 0.000 0.836 47 D CB -0.472 40.097 40.800 -0.384 0.000 0.951 47 D HN 0.428 nan 8.370 nan 0.000 0.449 48 Y N 1.415 121.535 120.300 -0.301 0.000 2.145 48 Y HA -0.114 3.204 4.550 -2.054 0.000 0.286 48 Y C 2.205 178.125 175.900 0.033 0.000 1.145 48 Y CA 1.256 59.357 58.100 0.003 0.000 1.148 48 Y CB -0.520 38.010 38.460 0.116 0.000 0.981 48 Y HN -0.083 nan 8.280 nan 0.000 0.507 49 L N -0.244 120.832 121.223 -0.245 0.000 2.109 49 L HA -0.117 2.988 4.340 -2.058 0.000 0.207 49 L C 1.902 178.680 176.870 -0.153 0.000 1.086 49 L CA 1.102 55.782 54.840 -0.268 0.000 0.760 49 L CB -0.416 41.547 42.059 -0.161 0.000 0.910 49 L HN 0.023 nan 8.230 nan 0.000 0.437 50 K N -0.538 119.795 120.400 -0.110 0.000 2.374 50 K HA 0.087 3.172 4.320 -2.058 0.000 0.196 50 K C 0.262 176.824 176.600 -0.064 0.000 1.023 50 K CA -0.094 56.146 56.287 -0.078 0.000 1.103 50 K CB -0.152 32.305 32.500 -0.070 0.000 0.848 50 K HN 0.142 nan 8.250 nan 0.000 0.528 51 N N 1.493 120.164 118.700 -0.047 0.000 2.756 51 N HA -0.144 3.361 4.740 -2.058 0.000 0.248 51 N C 0.185 175.697 175.510 0.003 0.000 1.062 51 N CA 0.865 53.924 53.050 0.015 0.000 0.696 51 N CB -1.032 37.452 38.487 -0.006 0.000 0.946 51 N HN 0.161 nan 8.380 nan 0.000 0.548 52 T N -1.013 113.511 114.554 -0.051 0.000 2.708 52 T HA -0.149 2.966 4.350 -2.058 0.000 0.266 52 T C 0.537 175.065 174.700 -0.286 0.000 1.037 52 T CA 1.366 63.324 62.100 -0.236 0.000 1.146 52 T CB -0.100 68.524 68.868 -0.407 0.000 0.865 52 T HN 0.351 nan 8.240 nan 0.000 0.435 53 Y N 1.495 121.895 120.300 0.168 0.000 2.434 53 Y HA 0.506 3.823 4.550 -2.056 0.000 0.341 53 Y C 0.434 176.455 175.900 0.202 0.000 0.965 53 Y CA -0.993 57.235 58.100 0.212 0.000 1.205 53 Y CB 0.531 39.189 38.460 0.330 0.000 1.121 53 Y HN -0.105 nan 8.280 nan 0.000 0.507 54 R N 2.833 123.480 120.500 0.247 0.000 2.346 54 R HA 0.471 3.576 4.340 -2.058 0.000 0.311 54 R C -1.301 175.112 176.300 0.189 0.000 0.983 54 R CA -1.000 55.210 56.100 0.183 0.000 0.880 54 R CB 0.726 31.089 30.300 0.105 0.000 1.100 54 R HN 0.512 nan 8.270 nan 0.000 0.453 55 L N 4.496 125.834 121.223 0.192 0.000 2.361 55 L HA 0.211 3.316 4.340 -2.058 0.000 0.278 55 L C 0.113 177.066 176.870 0.137 0.000 1.113 55 L CA 0.599 55.551 54.840 0.186 0.000 0.849 55 L CB 0.806 42.993 42.059 0.212 0.000 1.155 55 L HN 0.464 nan 8.230 nan 0.000 0.452 56 K N 3.413 123.887 120.400 0.124 0.000 2.174 56 K HA 0.496 3.581 4.320 -2.058 0.000 0.275 56 K C -0.788 175.828 176.600 0.027 0.000 1.015 56 K CA -0.800 55.530 56.287 0.072 0.000 0.933 56 K CB 1.175 33.715 32.500 0.067 0.000 1.025 56 K HN 0.218 nan 8.250 nan 0.000 0.463 57 L N 1.931 123.101 121.223 -0.089 0.000 2.335 57 L HA 0.395 3.501 4.340 -2.058 0.000 0.268 57 L C -0.833 175.738 176.870 -0.497 0.000 1.016 57 L CA -0.589 54.045 54.840 -0.343 0.000 0.805 57 L CB 0.301 42.287 42.059 -0.123 0.000 1.311 57 L HN 0.480 nan 8.230 nan 0.000 0.456 58 Y N 0.359 120.056 120.300 -1.006 0.000 2.535 58 Y HA 0.434 3.749 4.550 -2.058 0.000 0.341 58 Y C -0.282 175.435 175.900 -0.306 0.000 1.041 58 Y CA -0.473 57.288 58.100 -0.565 0.000 1.307 58 Y CB 1.413 39.460 38.460 -0.688 0.000 1.095 58 Y HN 0.518 nan 8.280 nan 0.000 0.534 59 S N 6.778 122.398 115.700 -0.133 0.000 2.438 59 S HA 0.740 3.975 4.470 -2.058 0.000 0.293 59 S C -0.953 173.636 174.600 -0.019 0.000 1.141 59 S CA -0.494 57.685 58.200 -0.034 0.000 1.080 59 S CB -0.219 62.971 63.200 -0.017 0.000 0.978 59 S HN 0.615 nan 8.310 nan 0.000 0.479 60 L N 2.777 123.953 121.223 -0.079 0.000 2.283 60 L HA 0.816 3.921 4.340 -2.058 0.000 0.259 60 L C -0.487 176.310 176.870 -0.122 0.000 1.027 60 L CA -1.030 53.721 54.840 -0.148 0.000 0.828 60 L CB 1.398 43.089 42.059 -0.615 0.000 1.380 60 L HN 0.542 nan 8.230 nan 0.000 0.425 61 R N 0.333 120.784 120.500 -0.082 0.000 2.483 61 R HA 0.375 3.480 4.340 -2.058 0.000 0.303 61 R C -1.846 174.460 176.300 0.010 0.000 0.987 61 R CA -0.314 55.784 56.100 -0.003 0.000 0.881 61 R CB 1.316 31.647 30.300 0.051 0.000 1.177 61 R HN 0.656 nan 8.270 nan 0.000 0.451 62 W N 4.568 125.961 121.300 0.155 0.000 2.303 62 W HA 0.127 3.552 4.660 -2.058 0.000 0.318 62 W C 1.580 178.158 176.519 0.100 0.000 1.362 62 W CA -0.381 57.058 57.345 0.158 0.000 1.234 62 W CB 0.433 29.989 29.460 0.161 0.000 1.248 62 W HN 0.661 nan 8.180 nan 0.000 0.546 63 I N -0.015 120.724 120.570 0.281 0.000 3.790 63 I HA 0.199 3.135 4.170 -2.058 0.000 0.305 63 I C 0.884 177.065 176.117 0.106 0.000 1.253 63 I CA 0.033 61.412 61.300 0.132 0.000 1.355 63 I CB -0.046 37.958 38.000 0.008 0.000 1.137 63 I HN 0.256 nan 8.210 nan 0.000 0.435 64 S N -0.140 115.636 115.700 0.126 0.000 2.971 64 S HA 0.369 3.605 4.470 -2.058 0.000 0.320 64 S C 0.021 174.666 174.600 0.075 0.000 1.111 64 S CA -0.279 57.916 58.200 -0.008 0.000 0.870 64 S CB 1.484 64.507 63.200 -0.295 0.000 1.331 64 S HN 0.089 nan 8.310 nan 0.000 0.635 65 D N -0.346 120.060 120.400 0.010 0.000 2.339 65 D HA 0.186 3.591 4.640 -2.058 0.000 0.217 65 D C 0.836 177.431 176.300 0.493 0.000 1.050 65 D CA 0.503 54.646 54.000 0.238 0.000 0.856 65 D CB 0.014 41.005 40.800 0.317 0.000 0.922 65 D HN 0.654 nan 8.370 nan 0.000 0.518 66 H N -2.565 116.707 119.070 0.337 0.000 3.876 66 H HA 0.396 3.717 4.556 -2.058 0.000 0.262 66 H C -0.063 175.386 175.328 0.202 0.000 1.158 66 H CA -0.243 55.970 56.048 0.276 0.000 1.170 66 H CB 0.580 30.496 29.762 0.257 0.000 1.528 66 H HN 0.041 nan 8.280 nan 0.000 0.689 67 E N 0.892 121.212 120.200 0.200 0.000 2.312 67 E HA 0.463 3.579 4.350 -2.058 0.000 0.267 67 E C -1.425 175.287 176.600 0.186 0.000 0.894 67 E CA -1.162 55.300 56.400 0.103 0.000 0.773 67 E CB 3.072 32.759 29.700 -0.021 0.000 1.241 67 E HN 0.212 nan 8.360 nan 0.000 0.432 68 Y N -0.687 119.567 120.300 -0.076 0.000 2.638 68 Y HA 0.682 3.997 4.550 -2.057 0.000 0.339 68 Y C -1.563 174.299 175.900 -0.063 0.000 1.084 68 Y CA -1.326 56.629 58.100 -0.242 0.000 1.068 68 Y CB 0.824 38.779 38.460 -0.841 0.000 1.294 68 Y HN 0.307 nan 8.280 nan 0.000 0.480 69 L N 2.454 123.786 121.223 0.181 0.000 2.331 69 L HA 0.579 3.684 4.340 -2.058 0.000 0.275 69 L C -1.360 175.745 176.870 0.391 0.000 1.022 69 L CA -1.026 53.928 54.840 0.190 0.000 0.812 69 L CB 1.881 43.967 42.059 0.045 0.000 1.257 69 L HN 0.805 nan 8.230 nan 0.000 0.435 70 Y N 1.574 122.029 120.300 0.258 0.000 2.519 70 Y HA 0.379 3.694 4.550 -2.058 0.000 0.336 70 Y C -1.341 174.635 175.900 0.127 0.000 1.089 70 Y CA -1.586 56.601 58.100 0.145 0.000 1.025 70 Y CB 1.449 39.947 38.460 0.062 0.000 1.318 70 Y HN 0.506 nan 8.280 nan 0.000 0.452 71 K N 3.885 123.874 120.400 -0.684 0.000 2.267 71 K HA 0.365 3.450 4.320 -2.058 0.000 0.282 71 K C 0.056 176.158 176.600 -0.830 0.000 1.078 71 K CA -0.494 55.457 56.287 -0.560 0.000 0.903 71 K CB 1.848 34.158 32.500 -0.317 0.000 1.111 71 K HN 0.708 nan 8.250 nan 0.000 0.475 72 Q N 2.801 122.393 119.800 -0.348 0.000 2.123 72 Q HA 0.074 3.179 4.340 -2.058 0.000 0.193 72 Q C -0.205 175.743 176.000 -0.087 0.000 0.981 72 Q CA 1.149 56.883 55.803 -0.115 0.000 0.833 72 Q CB 0.550 29.341 28.738 0.089 0.000 0.914 72 Q HN 0.756 nan 8.270 nan 0.000 0.484 73 E N 0.203 120.363 120.200 -0.066 0.000 3.898 73 E HA 0.257 3.372 4.350 -2.058 0.000 0.219 73 E C -0.931 175.629 176.600 -0.067 0.000 1.207 73 E CA -0.151 56.215 56.400 -0.056 0.000 1.240 73 E CB 0.508 30.191 29.700 -0.028 0.000 1.239 73 E HN 0.333 nan 8.360 nan 0.000 0.422 74 N N -0.055 118.591 118.700 -0.090 0.000 2.946 74 N HA -0.194 3.312 4.740 -2.058 0.000 0.228 74 N C -0.466 174.992 175.510 -0.087 0.000 0.873 74 N CA 1.100 54.102 53.050 -0.081 0.000 1.029 74 N CB -1.085 37.367 38.487 -0.058 0.000 1.047 74 N HN 0.342 nan 8.380 nan 0.000 0.612 75 N N 0.964 119.613 118.700 -0.084 0.000 2.513 75 N HA 0.281 3.786 4.740 -2.058 0.000 0.268 75 N C 0.179 175.642 175.510 -0.079 0.000 1.180 75 N CA 0.087 53.089 53.050 -0.080 0.000 0.948 75 N CB 0.610 39.058 38.487 -0.064 0.000 1.083 75 N HN 0.228 nan 8.380 nan 0.000 0.455 76 I N 2.766 123.296 120.570 -0.068 0.000 2.322 76 I HA 0.105 3.040 4.170 -2.058 0.000 0.292 76 I C -0.533 175.617 176.117 0.054 0.000 1.060 76 I CA -0.519 60.768 61.300 -0.021 0.000 1.309 76 I CB 0.306 38.274 38.000 -0.054 0.000 1.415 76 I HN 0.192 nan 8.210 nan 0.000 0.492 77 L N 7.606 128.859 121.223 0.051 0.000 2.289 77 L HA 0.398 3.503 4.340 -2.058 0.000 0.285 77 L C -0.042 176.791 176.870 -0.061 0.000 1.049 77 L CA -0.200 54.610 54.840 -0.051 0.000 0.804 77 L CB 1.639 43.605 42.059 -0.156 0.000 1.195 77 L HN 0.288 nan 8.230 nan 0.000 0.428 78 V N 4.604 124.423 119.914 -0.158 0.000 2.509 78 V HA 0.477 3.362 4.120 -2.058 0.000 0.284 78 V C -0.819 175.020 176.094 -0.426 0.000 1.047 78 V CA -0.208 61.978 62.300 -0.189 0.000 0.952 78 V CB 1.052 32.820 31.823 -0.091 0.000 0.988 78 V HN 0.508 nan 8.190 nan 0.000 0.469 79 F N 5.241 124.940 119.950 -0.418 0.000 2.507 79 F HA 0.438 3.731 4.527 -2.057 0.000 0.325 79 F C 0.428 175.936 175.800 -0.487 0.000 1.116 79 F CA -0.559 57.106 58.000 -0.558 0.000 0.930 79 F CB 1.538 39.870 39.000 -1.112 0.000 1.146 79 F HN 0.470 nan 8.300 nan 0.000 0.447 80 N N 2.296 120.944 118.700 -0.087 0.000 2.411 80 N HA 0.208 3.713 4.740 -2.058 0.000 0.259 80 N C 0.662 176.142 175.510 -0.050 0.000 1.103 80 N CA 0.158 53.196 53.050 -0.020 0.000 0.954 80 N CB 1.605 40.147 38.487 0.092 0.000 1.085 80 N HN 0.865 nan 8.380 nan 0.000 0.485 81 A N 4.237 126.979 122.820 -0.130 0.000 1.972 81 A HA -0.117 2.968 4.320 -2.058 0.000 0.219 81 A C 1.907 179.348 177.584 -0.238 0.000 1.169 81 A CA 1.055 52.971 52.037 -0.202 0.000 0.635 81 A CB -0.121 18.598 19.000 -0.468 0.000 0.810 81 A HN 0.736 nan 8.150 nan 0.000 0.446 82 E N -0.939 119.113 120.200 -0.247 0.000 2.028 82 E HA -0.138 2.977 4.350 -2.058 0.000 0.190 82 E C 1.685 178.107 176.600 -0.297 0.000 0.984 82 E CA 1.359 57.604 56.400 -0.259 0.000 0.800 82 E CB -0.294 29.164 29.700 -0.402 0.000 0.758 82 E HN 0.784 nan 8.360 nan 0.000 0.448 83 Y N -0.849 119.464 120.300 0.021 0.000 2.503 83 Y HA 0.164 3.480 4.550 -2.058 0.000 0.278 83 Y C 1.872 177.784 175.900 0.020 0.000 1.111 83 Y CA 0.774 58.886 58.100 0.020 0.000 1.270 83 Y CB 0.328 38.798 38.460 0.017 0.000 1.063 83 Y HN 0.232 nan 8.280 nan 0.000 0.548 84 G N 0.311 109.200 108.800 0.148 0.000 2.217 84 G HA2 -0.316 2.410 3.960 -2.058 0.000 0.246 84 G HA3 -0.316 2.410 3.960 -2.058 0.000 0.246 84 G C 0.017 175.024 174.900 0.179 0.000 0.990 84 G CA 0.123 45.308 45.100 0.141 0.000 0.627 84 G HN 0.445 nan 8.290 nan 0.000 0.522 85 N N 1.118 119.898 118.700 0.133 0.000 2.497 85 N HA 0.486 3.992 4.740 -2.058 0.000 0.268 85 N C -0.009 175.463 175.510 -0.063 0.000 1.171 85 N CA 0.630 53.707 53.050 0.046 0.000 0.948 85 N CB 1.388 39.888 38.487 0.021 0.000 1.069 85 N HN 0.886 nan 8.380 nan 0.000 0.460 86 S N 0.244 115.823 115.700 -0.200 0.000 2.532 86 S HA 0.737 3.972 4.470 -2.058 0.000 0.301 86 S C -0.353 174.067 174.600 -0.300 0.000 1.083 86 S CA -0.880 57.024 58.200 -0.493 0.000 1.025 86 S CB 1.170 63.667 63.200 -1.173 0.000 1.056 86 S HN 0.806 nan 8.310 nan 0.000 0.494 87 S N 0.616 116.153 115.700 -0.272 0.000 2.600 87 S HA 0.675 3.910 4.470 -2.058 0.000 0.300 87 S C -0.504 174.004 174.600 -0.154 0.000 1.087 87 S CA -0.914 57.188 58.200 -0.164 0.000 0.965 87 S CB 0.999 64.140 63.200 -0.098 0.000 1.089 87 S HN 0.756 nan 8.310 nan 0.000 0.496 88 V N 3.275 123.124 119.914 -0.108 0.000 2.446 88 V HA 0.114 2.999 4.120 -2.058 0.000 0.276 88 V C 0.800 176.873 176.094 -0.036 0.000 1.030 88 V CA 0.002 62.255 62.300 -0.077 0.000 1.033 88 V CB -0.626 31.145 31.823 -0.086 0.000 0.993 88 V HN 0.936 nan 8.190 nan 0.000 0.477 89 F N 5.629 125.498 119.950 -0.135 0.000 2.149 89 F HA 0.227 3.520 4.527 -2.058 0.000 0.294 89 F C 0.606 176.343 175.800 -0.106 0.000 1.095 89 F CA 1.128 59.064 58.000 -0.107 0.000 1.276 89 F CB 0.465 39.413 39.000 -0.087 0.000 1.023 89 F HN 0.364 nan 8.300 nan 0.000 0.480 90 L N 1.136 122.311 121.223 -0.080 0.000 2.580 90 L HA 0.284 3.389 4.340 -2.058 0.000 0.266 90 L C -0.943 175.839 176.870 -0.147 0.000 0.955 90 L CA -0.528 54.195 54.840 -0.195 0.000 0.886 90 L CB 1.713 43.689 42.059 -0.140 0.000 1.263 90 L HN -0.044 nan 8.230 nan 0.000 0.406 91 E N 1.955 122.041 120.200 -0.190 0.000 2.373 91 E HA 0.090 3.205 4.350 -2.058 0.000 0.267 91 E C 0.666 177.163 176.600 -0.171 0.000 1.032 91 E CA -0.070 56.233 56.400 -0.161 0.000 0.889 91 E CB 0.750 30.353 29.700 -0.162 0.000 0.984 91 E HN 0.618 nan 8.360 nan 0.000 0.425 92 N N 0.878 119.505 118.700 -0.123 0.000 2.272 92 N HA -0.181 3.324 4.740 -2.058 0.000 0.185 92 N C 0.658 176.099 175.510 -0.115 0.000 1.014 92 N CA 1.024 54.014 53.050 -0.099 0.000 0.870 92 N CB -0.294 38.150 38.487 -0.072 0.000 0.975 92 N HN 0.240 nan 8.380 nan 0.000 0.433 93 S N -2.010 113.606 115.700 -0.140 0.000 3.149 93 S HA 0.317 3.552 4.470 -2.058 0.000 0.228 93 S C 0.335 174.794 174.600 -0.235 0.000 1.393 93 S CA -0.584 57.528 58.200 -0.147 0.000 1.224 93 S CB -0.017 63.114 63.200 -0.114 0.000 1.112 93 S HN 0.241 nan 8.310 nan 0.000 0.502 94 T N 0.157 114.495 114.554 -0.360 0.000 3.125 94 T HA 0.293 3.408 4.350 -2.058 0.000 0.252 94 T C 0.010 174.232 174.700 -0.796 0.000 0.981 94 T CA 0.075 61.767 62.100 -0.680 0.000 1.069 94 T CB -0.110 68.127 68.868 -1.052 0.000 1.091 94 T HN 0.525 nan 8.240 nan 0.000 0.460 95 F N 2.992 122.809 119.950 -0.222 0.000 2.837 95 F HA 0.300 3.592 4.527 -2.058 0.000 0.298 95 F C 1.315 177.094 175.800 -0.035 0.000 1.161 95 F CA -1.172 56.713 58.000 -0.191 0.000 1.353 95 F CB -0.013 38.753 39.000 -0.389 0.000 0.951 95 F HN 0.142 nan 8.300 nan 0.000 0.508 96 D N -0.030 120.401 120.400 0.051 0.000 2.194 96 D HA -0.141 3.264 4.640 -2.058 0.000 0.204 96 D C 1.192 177.537 176.300 0.075 0.000 0.964 96 D CA 0.899 54.931 54.000 0.052 0.000 0.846 96 D CB -0.198 40.597 40.800 -0.009 0.000 0.962 96 D HN 0.382 nan 8.370 nan 0.000 0.490 97 E N -0.376 119.871 120.200 0.077 0.000 2.358 97 E HA -0.040 3.075 4.350 -2.058 0.000 0.195 97 E C 1.478 178.163 176.600 0.141 0.000 1.010 97 E CA -0.127 56.319 56.400 0.076 0.000 0.856 97 E CB -0.299 29.433 29.700 0.053 0.000 0.795 97 E HN 0.112 nan 8.360 nan 0.000 0.504 98 F N 1.205 121.178 119.950 0.038 0.000 2.147 98 F HA -0.195 3.097 4.527 -2.058 0.000 0.301 98 F C 1.849 177.663 175.800 0.023 0.000 1.084 98 F CA 1.996 60.026 58.000 0.051 0.000 1.268 98 F CB -0.370 38.663 39.000 0.055 0.000 1.009 98 F HN 0.158 nan 8.300 nan 0.000 0.486 99 G N -1.127 107.644 108.800 -0.048 0.000 2.179 99 G HA2 -0.258 2.467 3.960 -2.058 0.000 0.260 99 G HA3 -0.258 2.467 3.960 -2.058 0.000 0.260 99 G C 0.218 174.808 174.900 -0.517 0.000 0.977 99 G CA 0.346 45.284 45.100 -0.270 0.000 0.641 99 G HN 0.592 nan 8.290 nan 0.000 0.533 100 H N -0.514 118.421 119.070 -0.224 0.000 2.821 100 H HA 0.591 3.912 4.556 -2.058 0.000 0.373 100 H C -0.444 174.924 175.328 0.066 0.000 1.165 100 H CA 0.032 55.982 56.048 -0.163 0.000 1.154 100 H CB 1.840 31.257 29.762 -0.574 0.000 1.765 100 H HN 0.202 nan 8.280 nan 0.000 0.549 101 S N 2.364 118.183 115.700 0.198 0.000 2.439 101 S HA 0.265 3.500 4.470 -2.058 0.000 0.282 101 S C 0.040 174.758 174.600 0.196 0.000 1.170 101 S CA -0.716 57.580 58.200 0.160 0.000 1.054 101 S CB -0.753 62.512 63.200 0.108 0.000 0.956 101 S HN 0.378 nan 8.310 nan 0.000 0.490 102 I N 5.628 126.281 120.570 0.139 0.000 2.337 102 I HA 0.185 3.120 4.170 -2.058 0.000 0.291 102 I C 1.401 177.553 176.117 0.058 0.000 1.046 102 I CA -0.395 60.964 61.300 0.098 0.000 1.324 102 I CB 0.926 38.901 38.000 -0.041 0.000 1.409 102 I HN 0.722 nan 8.210 nan 0.000 0.494 103 N N 3.753 122.482 118.700 0.048 0.000 2.207 103 N HA -0.058 3.447 4.740 -2.058 0.000 0.182 103 N C -0.006 175.472 175.510 -0.054 0.000 1.020 103 N CA 1.200 54.221 53.050 -0.048 0.000 0.858 103 N CB 0.348 38.763 38.487 -0.120 0.000 0.991 103 N HN 0.675 nan 8.380 nan 0.000 0.427 104 D N -2.923 117.481 120.400 0.007 0.000 2.692 104 D HA 0.229 3.635 4.640 -2.058 0.000 0.303 104 D C -1.643 174.742 176.300 0.142 0.000 1.278 104 D CA -0.549 53.477 54.000 0.044 0.000 0.852 104 D CB 0.715 41.497 40.800 -0.030 0.000 1.375 104 D HN 0.066 nan 8.370 nan 0.000 0.453 105 Y N -1.364 118.961 120.300 0.042 0.000 2.644 105 Y HA 0.793 4.108 4.550 -2.058 0.000 0.338 105 Y C -1.244 174.744 175.900 0.146 0.000 1.119 105 Y CA -0.987 57.155 58.100 0.069 0.000 1.060 105 Y CB 1.699 40.180 38.460 0.035 0.000 1.294 105 Y HN 0.182 nan 8.280 nan 0.000 0.472 106 S N 1.583 117.464 115.700 0.302 0.000 2.626 106 S HA 0.593 3.828 4.470 -2.058 0.000 0.275 106 S C -1.670 173.244 174.600 0.523 0.000 1.175 106 S CA -0.530 57.855 58.200 0.307 0.000 0.982 106 S CB 0.282 63.680 63.200 0.330 0.000 1.093 106 S HN 0.698 nan 8.310 nan 0.000 0.472 107 I N 4.205 124.972 120.570 0.328 0.000 2.396 107 I HA 0.333 3.268 4.170 -2.058 0.000 0.292 107 I C 0.868 176.794 176.117 -0.318 0.000 0.999 107 I CA -0.444 60.938 61.300 0.137 0.000 1.310 107 I CB 1.874 39.980 38.000 0.178 0.000 1.404 107 I HN 0.752 nan 8.210 nan 0.000 0.496 108 S N 5.519 120.708 115.700 -0.850 0.000 2.560 108 S HA 0.149 3.384 4.470 -2.058 0.000 0.284 108 S C -1.829 172.472 174.600 -0.499 0.000 1.327 108 S CA -0.922 56.461 58.200 -1.362 0.000 1.055 108 S CB 0.638 62.983 63.200 -1.424 0.000 0.868 108 S HN 0.419 nan 8.310 nan 0.000 0.506 109 P HA -0.166 nan 4.420 nan 0.000 0.217 109 P C 0.804 178.051 177.300 -0.089 0.000 1.148 109 P CA 1.612 64.633 63.100 -0.131 0.000 0.834 109 P CB -0.122 31.525 31.700 -0.088 0.000 0.783 110 D N -2.274 118.070 120.400 -0.093 0.000 2.340 110 D HA 0.079 3.484 4.640 -2.058 0.000 0.220 110 D C 1.359 177.636 176.300 -0.039 0.000 1.039 110 D CA 0.594 54.576 54.000 -0.030 0.000 0.866 110 D CB -1.080 39.743 40.800 0.038 0.000 0.913 110 D HN 0.190 nan 8.370 nan 0.000 0.523 111 G N 0.532 109.291 108.800 -0.068 0.000 2.153 111 G HA2 -0.385 2.340 3.960 -2.058 0.000 0.252 111 G HA3 -0.385 2.340 3.960 -2.058 0.000 0.252 111 G C 0.859 175.720 174.900 -0.065 0.000 0.994 111 G CA 0.613 45.708 45.100 -0.007 0.000 0.698 111 G HN 0.473 nan 8.290 nan 0.000 0.521 112 Q N -1.719 117.958 119.800 -0.206 0.000 2.391 112 Q HA 0.411 3.517 4.340 -2.058 0.000 0.211 112 Q C 0.119 175.597 176.000 -0.870 0.000 0.908 112 Q CA 0.545 56.033 55.803 -0.526 0.000 0.920 112 Q CB 0.535 28.884 28.738 -0.648 0.000 1.056 112 Q HN 0.552 nan 8.270 nan 0.000 0.523 113 F N -0.317 119.548 119.950 -0.142 0.000 2.588 113 F HA 0.483 3.775 4.527 -2.058 0.000 0.310 113 F C -0.658 175.191 175.800 0.081 0.000 1.082 113 F CA -1.150 56.836 58.000 -0.023 0.000 0.929 113 F CB 1.733 40.752 39.000 0.031 0.000 1.254 113 F HN -0.198 nan 8.300 nan 0.000 0.455 114 I N 3.338 124.187 120.570 0.464 0.000 2.406 114 I HA 0.478 3.413 4.170 -2.058 0.000 0.290 114 I C -1.603 174.807 176.117 0.488 0.000 0.999 114 I CA -1.077 60.501 61.300 0.464 0.000 1.124 114 I CB 1.351 39.581 38.000 0.384 0.000 1.289 114 I HN 0.546 nan 8.210 nan 0.000 0.441 115 L N 8.643 130.204 121.223 0.563 0.000 2.278 115 L HA 0.445 3.550 4.340 -2.058 0.000 0.287 115 L C -1.178 175.837 176.870 0.242 0.000 1.072 115 L CA 0.051 55.113 54.840 0.370 0.000 0.819 115 L CB 0.726 42.952 42.059 0.279 0.000 1.176 115 L HN 0.484 nan 8.230 nan 0.000 0.435 116 L N 5.310 126.598 121.223 0.108 0.000 2.265 116 L HA 0.478 3.583 4.340 -2.058 0.000 0.289 116 L C 0.077 177.013 176.870 0.109 0.000 1.033 116 L CA -0.320 54.502 54.840 -0.030 0.000 0.814 116 L CB 1.204 42.985 42.059 -0.464 0.000 1.203 116 L HN 0.603 nan 8.230 nan 0.000 0.423 117 E N 4.453 124.696 120.200 0.071 0.000 2.109 117 E HA 0.385 3.500 4.350 -2.058 0.000 0.278 117 E C -1.497 175.094 176.600 -0.016 0.000 0.954 117 E CA -0.537 55.778 56.400 -0.142 0.000 0.779 117 E CB 0.884 30.584 29.700 -0.001 0.000 1.093 117 E HN 0.484 nan 8.360 nan 0.000 0.401 118 Y N 1.947 122.107 120.300 -0.233 0.000 2.715 118 Y HA 0.440 3.756 4.550 -2.058 0.000 0.331 118 Y C 0.028 175.886 175.900 -0.071 0.000 1.197 118 Y CA -1.528 56.532 58.100 -0.065 0.000 1.079 118 Y CB 0.431 38.928 38.460 0.061 0.000 1.298 118 Y HN 0.463 nan 8.280 nan 0.000 0.477 119 N N -0.340 118.422 118.700 0.102 0.000 2.710 119 N HA -0.319 3.186 4.740 -2.058 0.000 0.249 119 N C -0.861 174.654 175.510 0.009 0.000 1.059 119 N CA 1.137 54.202 53.050 0.024 0.000 0.720 119 N CB -1.632 36.797 38.487 -0.096 0.000 0.983 119 N HN 0.856 nan 8.380 nan 0.000 0.544 120 Y N 0.220 120.480 120.300 -0.066 0.000 2.721 120 Y HA 0.197 3.512 4.550 -2.058 0.000 0.329 120 Y C 0.010 175.901 175.900 -0.014 0.000 1.211 120 Y CA 0.080 58.147 58.100 -0.055 0.000 1.512 120 Y CB 0.608 38.983 38.460 -0.142 0.000 1.249 120 Y HN -0.013 nan 8.280 nan 0.000 0.549 121 V N 8.151 127.771 119.914 -0.491 0.000 2.443 121 V HA 0.201 3.086 4.120 -2.058 0.000 0.293 121 V C -0.261 175.434 176.094 -0.665 0.000 1.021 121 V CA -1.453 60.564 62.300 -0.473 0.000 0.848 121 V CB 1.390 33.090 31.823 -0.206 0.000 0.998 121 V HN 0.744 nan 8.190 nan 0.000 0.424 122 K N 3.623 123.591 120.400 -0.719 0.000 2.448 122 K HA 0.165 3.250 4.320 -2.058 0.000 0.278 122 K C 0.506 176.932 176.600 -0.290 0.000 1.009 122 K CA 0.256 56.299 56.287 -0.406 0.000 0.995 122 K CB 1.036 33.477 32.500 -0.098 0.000 0.917 122 K HN 0.831 nan 8.250 nan 0.000 0.481 123 Q N 3.210 122.820 119.800 -0.317 0.000 2.429 123 Q HA 0.136 3.242 4.340 -2.058 0.000 0.230 123 Q C -0.008 175.725 176.000 -0.445 0.000 0.970 123 Q CA -0.186 55.230 55.803 -0.645 0.000 0.778 123 Q CB 0.048 28.247 28.738 -0.898 0.000 2.016 123 Q HN 0.714 nan 8.270 nan 0.000 0.543 124 W N 0.020 121.313 121.300 -0.012 0.000 1.836 124 W HA 0.387 3.813 4.660 -2.058 0.000 0.628 124 W C 1.839 178.346 176.519 -0.020 0.000 1.626 124 W CA -0.781 56.582 57.345 0.030 0.000 1.714 124 W CB -0.170 29.286 29.460 -0.007 0.000 3.166 124 W HN 0.236 nan 8.180 nan 0.000 0.772 125 R N -0.523 120.066 120.500 0.148 0.000 2.081 125 R HA -0.152 2.953 4.340 -2.058 0.000 0.235 125 R C 1.739 177.877 176.300 -0.270 0.000 1.131 125 R CA 1.861 57.871 56.100 -0.150 0.000 0.960 125 R CB -0.439 29.628 30.300 -0.389 0.000 0.856 125 R HN 0.525 nan 8.270 nan 0.000 0.436 126 H N -1.361 117.792 119.070 0.139 0.000 2.788 126 H HA 0.151 3.472 4.556 -2.058 0.000 0.262 126 H C 0.657 176.106 175.328 0.201 0.000 0.968 126 H CA 0.424 56.583 56.048 0.185 0.000 1.218 126 H CB 0.234 30.076 29.762 0.135 0.000 1.443 126 H HN 0.132 nan 8.280 nan 0.000 0.478 127 S N 1.369 117.089 115.700 0.033 0.000 2.576 127 S HA 0.371 3.606 4.470 -2.058 0.000 0.276 127 S C -0.292 174.222 174.600 -0.142 0.000 1.339 127 S CA -0.502 57.425 58.200 -0.455 0.000 1.039 127 S CB 0.595 62.946 63.200 -1.415 0.000 0.902 127 S HN 0.461 nan 8.310 nan 0.000 0.516 128 Y N -2.086 118.099 120.300 -0.191 0.000 2.741 128 Y HA 0.685 4.000 4.550 -2.058 0.000 0.339 128 Y C -0.668 175.238 175.900 0.010 0.000 1.226 128 Y CA -0.930 57.060 58.100 -0.185 0.000 1.072 128 Y CB 0.584 38.907 38.460 -0.229 0.000 1.331 128 Y HN 0.856 nan 8.280 nan 0.000 0.453 129 T N -0.102 114.503 114.554 0.085 0.000 2.932 129 T HA 0.998 4.113 4.350 -2.058 0.000 0.289 129 T C -0.526 174.281 174.700 0.179 0.000 1.039 129 T CA -0.124 62.049 62.100 0.122 0.000 1.024 129 T CB 1.701 70.603 68.868 0.057 0.000 1.090 129 T HN 1.824 nan 8.240 nan 0.000 0.496 130 A N 0.960 123.854 122.820 0.125 0.000 2.599 130 A HA 0.753 3.838 4.320 -2.058 0.000 0.290 130 A C -0.449 176.918 177.584 -0.362 0.000 1.101 130 A CA -0.972 50.985 52.037 -0.134 0.000 0.674 130 A CB 1.166 20.048 19.000 -0.197 0.000 1.277 130 A HN 0.867 nan 8.150 nan 0.000 0.419 131 S N -0.551 114.713 115.700 -0.727 0.000 2.617 131 S HA 0.773 4.008 4.470 -2.058 0.000 0.283 131 S C -1.439 172.460 174.600 -1.167 0.000 1.189 131 S CA 0.001 57.658 58.200 -0.905 0.000 1.036 131 S CB 0.520 62.897 63.200 -1.372 0.000 1.014 131 S HN 0.448 nan 8.310 nan 0.000 0.522 132 Y N 0.211 120.260 120.300 -0.418 0.000 2.433 132 Y HA 0.434 3.749 4.550 -2.058 0.000 0.337 132 Y C -0.580 175.336 175.900 0.027 0.000 1.026 132 Y CA -0.968 57.040 58.100 -0.152 0.000 1.037 132 Y CB 1.746 40.067 38.460 -0.231 0.000 1.245 132 Y HN 0.499 nan 8.280 nan 0.000 0.443 133 D N 2.335 122.933 120.400 0.330 0.000 2.433 133 D HA 0.621 4.026 4.640 -2.058 0.000 0.236 133 D C -0.951 175.448 176.300 0.165 0.000 1.026 133 D CA -0.355 53.799 54.000 0.257 0.000 0.884 133 D CB 2.167 43.207 40.800 0.400 0.000 1.384 133 D HN 0.350 nan 8.370 nan 0.000 0.477 134 I N 1.750 122.414 120.570 0.158 0.000 2.378 134 I HA 0.268 3.204 4.170 -2.058 0.000 0.291 134 I C -1.064 175.234 176.117 0.302 0.000 0.992 134 I CA -0.973 60.457 61.300 0.216 0.000 1.154 134 I CB 1.232 39.315 38.000 0.138 0.000 1.315 134 I HN 0.232 nan 8.210 nan 0.000 0.448 135 Y N 5.489 125.920 120.300 0.219 0.000 2.341 135 Y HA 0.294 3.609 4.550 -2.058 0.000 0.337 135 Y C -0.053 176.028 175.900 0.300 0.000 1.014 135 Y CA -0.664 57.581 58.100 0.242 0.000 1.111 135 Y CB 1.109 39.733 38.460 0.274 0.000 1.194 135 Y HN 0.482 nan 8.280 nan 0.000 0.462 136 D N 6.214 126.523 120.400 -0.152 0.000 2.336 136 D HA 0.070 3.476 4.640 -2.058 0.000 0.249 136 D C 0.714 176.743 176.300 -0.452 0.000 1.213 136 D CA 0.341 54.218 54.000 -0.205 0.000 0.870 136 D CB 0.926 41.643 40.800 -0.138 0.000 1.076 136 D HN 0.860 nan 8.370 nan 0.000 0.483 137 L N 3.594 124.624 121.223 -0.321 0.000 2.465 137 L HA -0.057 3.048 4.340 -2.058 0.000 0.224 137 L C 1.836 178.562 176.870 -0.240 0.000 1.145 137 L CA 0.374 55.103 54.840 -0.186 0.000 0.834 137 L CB -0.086 41.892 42.059 -0.135 0.000 0.944 137 L HN 0.376 nan 8.230 nan 0.000 0.451 138 N N -0.480 118.038 118.700 -0.304 0.000 2.499 138 N HA -0.017 3.489 4.740 -2.058 0.000 0.182 138 N C 1.567 176.958 175.510 -0.198 0.000 1.034 138 N CA 0.510 53.420 53.050 -0.232 0.000 0.882 138 N CB 0.318 38.663 38.487 -0.237 0.000 1.125 138 N HN 0.197 nan 8.380 nan 0.000 0.436 139 K N 0.944 121.210 120.400 -0.223 0.000 2.296 139 K HA 0.156 3.242 4.320 -2.058 0.000 0.200 139 K C -0.197 176.279 176.600 -0.207 0.000 1.048 139 K CA 0.203 56.384 56.287 -0.177 0.000 0.966 139 K CB 0.329 32.742 32.500 -0.144 0.000 0.754 139 K HN 0.068 nan 8.250 nan 0.000 0.466 140 R N 0.995 121.296 120.500 -0.332 0.000 3.267 140 R HA -0.186 2.919 4.340 -2.058 0.000 0.254 140 R C -0.957 175.129 176.300 -0.358 0.000 0.993 140 R CA 0.640 56.529 56.100 -0.352 0.000 0.670 140 R CB -1.961 28.291 30.300 -0.080 0.000 1.125 140 R HN 0.405 nan 8.270 nan 0.000 0.434 141 Q N 0.015 119.427 119.800 -0.646 0.000 2.418 141 Q HA 0.413 3.519 4.340 -2.058 0.000 0.282 141 Q C -0.674 175.210 176.000 -0.194 0.000 1.044 141 Q CA -1.123 54.540 55.803 -0.234 0.000 0.813 141 Q CB 1.902 30.587 28.738 -0.088 0.000 1.428 141 Q HN -0.022 nan 8.270 nan 0.000 0.402 142 L N 2.194 123.546 121.223 0.213 0.000 2.453 142 L HA 0.191 3.297 4.340 -2.058 0.000 0.272 142 L C -0.031 176.924 176.870 0.142 0.000 1.182 142 L CA 0.380 55.393 54.840 0.289 0.000 0.858 142 L CB 0.041 42.317 42.059 0.361 0.000 1.120 142 L HN 0.628 nan 8.230 nan 0.000 0.474 143 I N 3.037 123.687 120.570 0.133 0.000 2.517 143 I HA -0.037 2.898 4.170 -2.058 0.000 0.285 143 I C 1.457 177.615 176.117 0.068 0.000 1.106 143 I CA 0.556 61.903 61.300 0.078 0.000 1.402 143 I CB 0.918 38.949 38.000 0.052 0.000 1.399 143 I HN 0.760 nan 8.210 nan 0.000 0.535 144 T N 0.969 115.549 114.554 0.043 0.000 2.990 144 T HA 0.271 3.386 4.350 -2.058 0.000 0.250 144 T C 0.522 175.221 174.700 -0.002 0.000 1.041 144 T CA -0.279 61.839 62.100 0.030 0.000 1.010 144 T CB -0.110 68.778 68.868 0.034 0.000 1.003 144 T HN 0.393 nan 8.240 nan 0.000 0.499 145 E N 2.371 122.564 120.200 -0.010 0.000 2.301 145 E HA 0.387 3.502 4.350 -2.058 0.000 0.275 145 E C -0.103 176.465 176.600 -0.054 0.000 1.030 145 E CA -0.416 55.966 56.400 -0.030 0.000 0.852 145 E CB 0.363 30.049 29.700 -0.023 0.000 1.060 145 E HN 0.149 nan 8.360 nan 0.000 0.401 146 E N 1.152 121.307 120.200 -0.075 0.000 2.297 146 E HA -0.279 2.836 4.350 -2.058 0.000 0.228 146 E C -0.689 175.826 176.600 -0.142 0.000 1.213 146 E CA 0.545 56.880 56.400 -0.108 0.000 0.712 146 E CB -1.383 28.260 29.700 -0.094 0.000 1.202 146 E HN 0.481 nan 8.360 nan 0.000 0.376 147 R N -0.127 120.287 120.500 -0.143 0.000 2.679 147 R HA 0.239 3.345 4.340 -2.058 0.000 0.268 147 R C 1.155 177.276 176.300 -0.298 0.000 1.044 147 R CA -0.201 55.799 56.100 -0.167 0.000 1.105 147 R CB 0.413 30.646 30.300 -0.112 0.000 0.989 147 R HN 0.165 nan 8.270 nan 0.000 0.447 148 I N 5.186 125.532 120.570 -0.374 0.000 2.752 148 I HA -0.011 2.924 4.170 -2.058 0.000 0.289 148 I C -1.494 174.316 176.117 -0.511 0.000 1.197 148 I CA -1.259 59.654 61.300 -0.645 0.000 1.432 148 I CB 0.223 37.811 38.000 -0.687 0.000 1.359 148 I HN 0.379 nan 8.210 nan 0.000 0.571 149 P HA 0.071 nan 4.420 nan 0.000 0.272 149 P C -0.854 176.235 177.300 -0.353 0.000 1.230 149 P CA -0.408 62.319 63.100 -0.622 0.000 0.788 149 P CB 0.415 31.359 31.700 -1.260 0.000 0.949 150 N N 1.190 119.760 118.700 -0.217 0.000 2.381 150 N HA -0.034 3.471 4.740 -2.058 0.000 0.241 150 N C 0.484 176.059 175.510 0.108 0.000 1.279 150 N CA 0.315 53.314 53.050 -0.086 0.000 0.896 150 N CB -0.784 37.672 38.487 -0.052 0.000 1.118 150 N HN 0.434 nan 8.380 nan 0.000 0.438 151 N N -2.228 116.534 118.700 0.102 0.000 2.782 151 N HA -0.169 3.336 4.740 -2.058 0.000 0.251 151 N C -0.980 174.716 175.510 0.309 0.000 1.101 151 N CA 0.808 53.968 53.050 0.183 0.000 0.764 151 N CB -1.436 37.172 38.487 0.201 0.000 1.122 151 N HN 0.477 nan 8.380 nan 0.000 0.561 152 T N 0.362 115.099 114.554 0.306 0.000 2.916 152 T HA 0.039 3.154 4.350 -2.058 0.000 0.303 152 T C 1.432 176.300 174.700 0.279 0.000 1.025 152 T CA 0.206 62.509 62.100 0.337 0.000 1.142 152 T CB 1.097 70.081 68.868 0.193 0.000 0.947 152 T HN 0.189 nan 8.240 nan 0.000 0.544 153 Q N 1.448 121.394 119.800 0.243 0.000 2.297 153 Q HA 0.181 3.286 4.340 -2.058 0.000 0.203 153 Q C 0.115 176.258 176.000 0.239 0.000 0.931 153 Q CA 0.343 56.292 55.803 0.242 0.000 0.885 153 Q CB 0.838 29.683 28.738 0.179 0.000 0.991 153 Q HN 0.713 nan 8.270 nan 0.000 0.498 154 W N 0.077 121.316 121.300 -0.101 0.000 3.479 154 W HA 0.472 3.898 4.660 -2.058 0.000 0.304 154 W C -2.231 174.175 176.519 -0.187 0.000 1.243 154 W CA -0.656 56.581 57.345 -0.180 0.000 1.202 154 W CB 1.381 30.675 29.460 -0.277 0.000 1.346 154 W HN -0.364 nan 8.180 nan 0.000 0.539 155 V N 3.276 122.463 119.914 -1.213 0.000 2.760 155 V HA 0.672 3.557 4.120 -2.058 0.000 0.309 155 V C -0.514 174.910 176.094 -1.116 0.000 1.077 155 V CA -0.632 61.066 62.300 -1.004 0.000 0.910 155 V CB 1.697 32.815 31.823 -1.176 0.000 1.008 155 V HN 0.488 nan 8.190 nan 0.000 0.424 156 T N 3.257 117.466 114.554 -0.574 0.000 3.172 156 T HA 0.475 3.590 4.350 -2.058 0.000 0.320 156 T C -1.474 173.254 174.700 0.047 0.000 1.085 156 T CA -0.321 61.651 62.100 -0.214 0.000 1.052 156 T CB 0.662 69.626 68.868 0.161 0.000 1.107 156 T HN 0.532 nan 8.240 nan 0.000 0.458 157 W N 3.781 125.125 121.300 0.072 0.000 2.170 157 W HA 0.412 3.837 4.660 -2.058 0.000 0.336 157 W C 1.284 177.625 176.519 -0.297 0.000 1.283 157 W CA -0.626 56.697 57.345 -0.037 0.000 1.224 157 W CB 0.542 29.981 29.460 -0.036 0.000 1.132 157 W HN 0.785 nan 8.180 nan 0.000 0.571 158 S N 2.161 117.480 115.700 -0.635 0.000 2.560 158 S HA -0.009 3.226 4.470 -2.058 0.000 0.276 158 S C -1.773 172.564 174.600 -0.439 0.000 1.350 158 S CA -0.826 56.557 58.200 -1.361 0.000 1.024 158 S CB 0.500 62.888 63.200 -1.353 0.000 0.864 158 S HN 0.317 nan 8.310 nan 0.000 0.536 159 P HA 0.047 nan 4.420 nan 0.000 0.226 159 P C 0.245 177.495 177.300 -0.083 0.000 1.153 159 P CA 0.692 63.750 63.100 -0.070 0.000 0.777 159 P CB -0.170 31.529 31.700 -0.000 0.000 0.794 160 V N -6.374 113.445 119.914 -0.158 0.000 2.962 160 V HA 0.888 3.773 4.120 -2.058 0.000 0.313 160 V C 0.440 176.430 176.094 -0.174 0.000 1.099 160 V CA -0.301 61.925 62.300 -0.125 0.000 0.971 160 V CB 1.099 32.868 31.823 -0.091 0.000 1.028 160 V HN 0.387 nan 8.190 nan 0.000 0.430 161 G N 2.775 111.498 108.800 -0.130 0.000 2.528 161 G HA2 -0.187 2.538 3.960 -2.058 0.000 0.262 161 G HA3 -0.187 2.538 3.960 -2.058 0.000 0.262 161 G C 0.237 175.072 174.900 -0.108 0.000 1.200 161 G CA 0.785 45.788 45.100 -0.161 0.000 0.951 161 G HN 2.551 nan 8.290 nan 0.000 0.566 162 H N -0.709 118.361 119.070 -0.001 0.000 3.064 162 H HA 0.472 3.793 4.556 -2.058 0.000 0.232 162 H C 0.279 175.778 175.328 0.284 0.000 1.308 162 H CA -0.164 55.952 56.048 0.113 0.000 1.010 162 H CB -0.193 29.671 29.762 0.170 0.000 2.408 162 H HN 0.458 nan 8.280 nan 0.000 0.599 163 K N 1.436 121.858 120.400 0.037 0.000 2.326 163 K HA 0.269 3.354 4.320 -2.058 0.000 0.275 163 K C -0.606 176.100 176.600 0.177 0.000 1.018 163 K CA -0.469 55.843 56.287 0.041 0.000 0.962 163 K CB 0.939 33.310 32.500 -0.216 0.000 0.953 163 K HN 0.041 nan 8.250 nan 0.000 0.475 164 L N 2.185 123.539 121.223 0.219 0.000 2.346 164 L HA 0.553 3.659 4.340 -2.058 0.000 0.276 164 L C -0.744 176.333 176.870 0.344 0.000 1.006 164 L CA -0.438 54.481 54.840 0.133 0.000 0.817 164 L CB 1.413 43.412 42.059 -0.101 0.000 1.272 164 L HN 0.747 nan 8.230 nan 0.000 0.421 165 A N 4.354 127.374 122.820 0.334 0.000 2.330 165 A HA 0.765 3.850 4.320 -2.058 0.000 0.313 165 A C -1.494 176.095 177.584 0.008 0.000 1.124 165 A CA -0.400 51.692 52.037 0.093 0.000 0.774 165 A CB 0.884 19.811 19.000 -0.122 0.000 1.198 165 A HN 0.641 nan 8.150 nan 0.000 0.465 166 Y N -0.202 120.032 120.300 -0.111 0.000 2.553 166 Y HA 0.757 4.072 4.550 -2.058 0.000 0.347 166 Y C -1.092 174.806 175.900 -0.004 0.000 1.019 166 Y CA -1.576 56.434 58.100 -0.150 0.000 1.032 166 Y CB 1.276 39.575 38.460 -0.267 0.000 1.284 166 Y HN 0.335 nan 8.280 nan 0.000 0.466 167 V N 2.655 122.659 119.914 0.150 0.000 2.417 167 V HA 0.320 3.206 4.120 -2.058 0.000 0.291 167 V C -1.327 174.956 176.094 0.315 0.000 1.024 167 V CA -0.575 61.802 62.300 0.128 0.000 0.861 167 V CB 1.046 32.871 31.823 0.002 0.000 0.985 167 V HN 0.880 nan 8.190 nan 0.000 0.436 168 W N 5.201 126.590 121.300 0.148 0.000 2.957 168 W HA 0.464 3.890 4.660 -2.058 0.000 0.336 168 W C 0.302 176.882 176.519 0.101 0.000 1.087 168 W CA -0.762 56.652 57.345 0.116 0.000 1.235 168 W CB 1.194 30.695 29.460 0.068 0.000 1.399 168 W HN 0.776 nan 8.180 nan 0.000 0.480 169 N N 5.086 123.411 118.700 -0.625 0.000 2.735 169 N HA -0.334 3.171 4.740 -2.058 0.000 0.248 169 N C -0.003 175.326 175.510 -0.302 0.000 1.083 169 N CA 1.043 53.711 53.050 -0.635 0.000 0.703 169 N CB -0.870 36.975 38.487 -1.071 0.000 1.005 169 N HN 0.748 nan 8.380 nan 0.000 0.550 170 N N -1.381 117.218 118.700 -0.169 0.000 2.909 170 N HA -0.150 3.355 4.740 -2.058 0.000 0.242 170 N C -1.448 173.978 175.510 -0.139 0.000 0.975 170 N CA 1.695 54.669 53.050 -0.125 0.000 0.921 170 N CB -0.538 37.840 38.487 -0.182 0.000 1.112 170 N HN 0.526 nan 8.380 nan 0.000 0.581 171 D N -0.005 120.314 120.400 -0.135 0.000 2.342 171 D HA 0.463 3.869 4.640 -2.058 0.000 0.243 171 D C 0.466 176.593 176.300 -0.287 0.000 1.019 171 D CA -0.452 53.388 54.000 -0.265 0.000 0.864 171 D CB 1.332 41.898 40.800 -0.390 0.000 1.315 171 D HN 0.022 nan 8.370 nan 0.000 0.468 172 I N 1.867 122.128 120.570 -0.515 0.000 2.395 172 I HA 0.192 3.128 4.170 -2.058 0.000 0.289 172 I C -0.506 175.183 176.117 -0.714 0.000 1.023 172 I CA -0.304 60.678 61.300 -0.529 0.000 1.350 172 I CB 0.389 37.992 38.000 -0.661 0.000 1.409 172 I HN 0.156 nan 8.210 nan 0.000 0.507 173 Y N 4.296 124.200 120.300 -0.660 0.000 2.499 173 Y HA 0.648 3.963 4.550 -2.058 0.000 0.347 173 Y C -0.312 175.257 175.900 -0.553 0.000 0.987 173 Y CA -1.045 56.642 58.100 -0.687 0.000 1.044 173 Y CB 2.121 39.928 38.460 -1.087 0.000 1.245 173 Y HN 0.123 nan 8.280 nan 0.000 0.461 174 V N 2.940 122.814 119.914 -0.066 0.000 2.588 174 V HA 0.412 3.297 4.120 -2.058 0.000 0.304 174 V C -0.936 175.313 176.094 0.258 0.000 1.042 174 V CA -1.402 60.958 62.300 0.100 0.000 0.877 174 V CB 1.826 33.720 31.823 0.118 0.000 0.996 174 V HN 0.639 nan 8.190 nan 0.000 0.425 175 K N 4.845 125.394 120.400 0.248 0.000 2.235 175 K HA 0.530 3.616 4.320 -2.058 0.000 0.266 175 K C 0.286 177.031 176.600 0.242 0.000 0.980 175 K CA -0.794 55.627 56.287 0.225 0.000 0.849 175 K CB 2.068 34.647 32.500 0.131 0.000 1.098 175 K HN 0.363 nan 8.250 nan 0.000 0.445 176 I N 1.021 121.755 120.570 0.274 0.000 2.333 176 I HA -0.044 2.891 4.170 -2.058 0.000 0.246 176 I C 0.470 176.691 176.117 0.173 0.000 1.106 176 I CA 1.394 62.818 61.300 0.206 0.000 1.411 176 I CB -0.289 37.846 38.000 0.225 0.000 1.082 176 I HN 0.613 nan 8.210 nan 0.000 0.420 177 E N 0.235 120.531 120.200 0.160 0.000 2.238 177 E HA 0.267 3.382 4.350 -2.058 0.000 0.267 177 E C -1.849 174.746 176.600 -0.008 0.000 0.887 177 E CA -1.924 54.551 56.400 0.125 0.000 0.769 177 E CB 1.864 31.634 29.700 0.116 0.000 1.187 177 E HN -0.134 nan 8.360 nan 0.000 0.416 178 P HA -0.172 nan 4.420 nan 0.000 0.216 178 P C 0.733 177.943 177.300 -0.151 0.000 1.150 178 P CA 1.394 64.334 63.100 -0.267 0.000 0.843 178 P CB 0.260 31.543 31.700 -0.694 0.000 0.787 179 N N -1.757 116.878 118.700 -0.107 0.000 2.235 179 N HA 0.052 3.558 4.740 -2.058 0.000 0.209 179 N C -0.063 175.421 175.510 -0.042 0.000 1.122 179 N CA 0.155 53.171 53.050 -0.056 0.000 0.845 179 N CB -0.277 38.197 38.487 -0.022 0.000 1.004 179 N HN 0.081 nan 8.380 nan 0.000 0.499 180 L N 1.049 122.248 121.223 -0.041 0.000 2.352 180 L HA 0.581 3.686 4.340 -2.058 0.000 0.269 180 L C -2.185 174.635 176.870 -0.083 0.000 1.034 180 L CA -2.227 52.588 54.840 -0.043 0.000 0.806 180 L CB 1.191 43.245 42.059 -0.007 0.000 1.244 180 L HN -0.120 nan 8.230 nan 0.000 0.447 181 P HA 0.064 nan 4.420 nan 0.000 0.266 181 P C -0.705 176.448 177.300 -0.245 0.000 1.193 181 P CA 0.057 63.057 63.100 -0.167 0.000 0.770 181 P CB 0.426 32.017 31.700 -0.182 0.000 0.836 182 S N 1.380 116.991 115.700 -0.148 0.000 2.585 182 S HA 0.203 3.439 4.470 -2.058 0.000 0.273 182 S C -0.451 174.028 174.600 -0.202 0.000 1.339 182 S CA 0.041 58.198 58.200 -0.071 0.000 1.028 182 S CB -0.186 63.079 63.200 0.109 0.000 0.906 182 S HN 0.219 nan 8.310 nan 0.000 0.528 183 Y N 1.376 121.715 120.300 0.066 0.000 2.328 183 Y HA 0.365 3.680 4.550 -2.058 0.000 0.337 183 Y C 0.825 176.667 175.900 -0.097 0.000 1.008 183 Y CA -0.565 57.548 58.100 0.021 0.000 1.129 183 Y CB 0.599 39.068 38.460 0.015 0.000 1.185 183 Y HN 0.428 nan 8.280 nan 0.000 0.476 184 R N 4.045 124.498 120.500 -0.079 0.000 2.267 184 R HA 0.196 3.302 4.340 -2.058 0.000 0.319 184 R C 0.245 176.290 176.300 -0.425 0.000 1.067 184 R CA -0.017 55.707 56.100 -0.627 0.000 0.936 184 R CB 0.446 30.125 30.300 -1.036 0.000 1.006 184 R HN 0.784 nan 8.270 nan 0.000 0.452 185 I N 1.997 122.247 120.570 -0.535 0.000 2.585 185 I HA -0.046 2.889 4.170 -2.058 0.000 0.254 185 I C 1.215 177.138 176.117 -0.322 0.000 1.129 185 I CA 1.030 62.130 61.300 -0.334 0.000 1.455 185 I CB -0.610 37.153 38.000 -0.396 0.000 1.111 185 I HN 0.545 nan 8.210 nan 0.000 0.433 186 T N -3.893 110.335 114.554 -0.543 0.000 2.893 186 T HA 0.403 3.518 4.350 -2.058 0.000 0.291 186 T C -0.663 173.749 174.700 -0.480 0.000 1.028 186 T CA -0.526 61.349 62.100 -0.376 0.000 0.995 186 T CB 1.887 70.505 68.868 -0.416 0.000 1.051 186 T HN 0.167 nan 8.240 nan 0.000 0.470 187 W N 0.771 121.949 121.300 -0.203 0.000 2.702 187 W HA 0.245 3.671 4.660 -2.058 0.000 0.369 187 W C 1.880 178.333 176.519 -0.111 0.000 0.987 187 W CA -0.071 57.189 57.345 -0.142 0.000 1.702 187 W CB 0.535 29.933 29.460 -0.102 0.000 1.138 187 W HN 0.956 nan 8.180 nan 0.000 0.552 188 T N -3.504 111.069 114.554 0.031 0.000 3.001 188 T HA 0.281 3.396 4.350 -2.058 0.000 0.251 188 T C 1.274 175.952 174.700 -0.037 0.000 1.040 188 T CA 0.229 62.337 62.100 0.013 0.000 0.985 188 T CB -0.157 68.717 68.868 0.011 0.000 1.011 188 T HN -0.035 nan 8.240 nan 0.000 0.509 189 G N 1.495 110.241 108.800 -0.090 0.000 2.265 189 G HA2 0.343 3.068 3.960 -2.058 0.000 0.240 189 G HA3 0.343 3.068 3.960 -2.058 0.000 0.240 189 G C -0.611 174.210 174.900 -0.133 0.000 1.270 189 G CA -0.298 44.727 45.100 -0.125 0.000 0.901 189 G HN 0.614 nan 8.290 nan 0.000 0.507 190 K N 2.092 122.393 120.400 -0.166 0.000 2.581 190 K HA 0.192 3.278 4.320 -2.058 0.000 0.249 190 K C -0.069 176.397 176.600 -0.224 0.000 0.966 190 K CA -0.672 55.521 56.287 -0.156 0.000 0.811 190 K CB 1.456 33.899 32.500 -0.095 0.000 1.223 190 K HN 0.600 nan 8.250 nan 0.000 0.438 191 E N 3.280 123.363 120.200 -0.194 0.000 2.765 191 E HA -0.181 2.934 4.350 -2.058 0.000 0.256 191 E C -0.565 175.939 176.600 -0.160 0.000 0.935 191 E CA 1.183 57.474 56.400 -0.180 0.000 0.954 191 E CB 0.225 29.857 29.700 -0.114 0.000 0.908 191 E HN 0.700 nan 8.360 nan 0.000 0.500 192 D N 2.173 122.460 120.400 -0.188 0.000 2.978 192 D HA -0.249 3.156 4.640 -2.058 0.000 0.205 192 D C 0.579 176.874 176.300 -0.008 0.000 1.093 192 D CA 1.672 55.673 54.000 0.002 0.000 1.006 192 D CB -0.967 39.884 40.800 0.085 0.000 1.116 192 D HN 0.515 nan 8.370 nan 0.000 0.419 193 I N -1.013 119.441 120.570 -0.192 0.000 3.650 193 I HA 0.084 3.019 4.170 -2.058 0.000 0.261 193 I C 0.434 176.530 176.117 -0.036 0.000 1.154 193 I CA -0.000 61.280 61.300 -0.034 0.000 1.418 193 I CB 0.743 38.734 38.000 -0.015 0.000 1.539 193 I HN -0.164 nan 8.210 nan 0.000 0.449 194 I N 1.618 122.080 120.570 -0.181 0.000 2.382 194 I HA 0.256 3.191 4.170 -2.058 0.000 0.286 194 I C -1.456 174.565 176.117 -0.159 0.000 1.002 194 I CA -0.397 60.871 61.300 -0.053 0.000 1.135 194 I CB 0.813 38.805 38.000 -0.014 0.000 1.288 194 I HN 0.061 nan 8.210 nan 0.000 0.448 195 Y N 4.596 124.982 120.300 0.142 0.000 2.356 195 Y HA 0.364 3.679 4.550 -2.058 0.000 0.334 195 Y C 0.148 176.105 175.900 0.094 0.000 0.958 195 Y CA -0.731 57.455 58.100 0.143 0.000 1.196 195 Y CB 0.985 39.611 38.460 0.277 0.000 1.137 195 Y HN 0.463 nan 8.280 nan 0.000 0.485 196 N N 1.669 120.423 118.700 0.091 0.000 2.444 196 N HA 0.457 3.962 4.740 -2.058 0.000 0.262 196 N C 0.695 176.130 175.510 -0.124 0.000 0.974 196 N CA 0.159 53.188 53.050 -0.036 0.000 0.933 196 N CB 1.492 39.856 38.487 -0.205 0.000 1.137 196 N HN 0.909 nan 8.380 nan 0.000 0.498 197 G N 1.710 110.456 108.800 -0.091 0.000 2.179 197 G HA2 -0.263 2.462 3.960 -2.058 0.000 0.260 197 G HA3 -0.263 2.462 3.960 -2.058 0.000 0.260 197 G C 0.068 174.810 174.900 -0.263 0.000 0.977 197 G CA 0.686 45.663 45.100 -0.206 0.000 0.641 197 G HN 0.620 nan 8.290 nan 0.000 0.533 198 I N -1.735 118.754 120.570 -0.136 0.000 2.828 198 I HA 0.804 3.739 4.170 -2.058 0.000 0.302 198 I C 0.332 176.471 176.117 0.036 0.000 1.101 198 I CA -0.680 60.444 61.300 -0.294 0.000 1.031 198 I CB 2.023 39.664 38.000 -0.598 0.000 1.231 198 I HN 0.166 nan 8.210 nan 0.000 0.427 199 T N -0.163 114.330 114.554 -0.102 0.000 2.882 199 T HA 0.334 3.449 4.350 -2.058 0.000 0.287 199 T C -0.104 174.342 174.700 -0.423 0.000 1.014 199 T CA -0.642 61.239 62.100 -0.364 0.000 1.049 199 T CB 1.125 69.879 68.868 -0.189 0.000 1.001 199 T HN 0.779 nan 8.240 nan 0.000 0.525 200 D N 0.489 120.380 120.400 -0.847 0.000 2.447 200 D HA 0.007 3.413 4.640 -2.058 0.000 0.265 200 D C 1.051 177.251 176.300 -0.167 0.000 1.250 200 D CA -1.042 52.499 54.000 -0.765 0.000 1.046 200 D CB 0.130 40.477 40.800 -0.754 0.000 1.095 200 D HN 0.722 nan 8.370 nan 0.000 0.555 201 W N 0.210 121.444 121.300 -0.110 0.000 2.301 201 W HA -0.278 3.147 4.660 -2.059 0.000 0.325 201 W C 2.124 178.545 176.519 -0.163 0.000 1.250 201 W CA 3.288 60.568 57.345 -0.108 0.000 1.261 201 W CB -0.481 28.865 29.460 -0.191 0.000 1.157 201 W HN 0.229 nan 8.180 nan 0.000 0.473 202 V N -2.077 117.910 119.914 0.122 0.000 2.548 202 V HA -0.278 2.607 4.120 -2.058 0.000 0.249 202 V C 1.763 177.682 176.094 -0.292 0.000 1.055 202 V CA 1.715 63.958 62.300 -0.094 0.000 1.065 202 V CB -1.728 30.038 31.823 -0.094 0.000 0.681 202 V HN 0.286 nan 8.190 nan 0.000 0.462 203 Y N 1.309 121.432 120.300 -0.295 0.000 2.242 203 Y HA -0.118 3.198 4.550 -2.057 0.000 0.291 203 Y C 2.827 178.614 175.900 -0.187 0.000 1.137 203 Y CA 2.090 60.022 58.100 -0.281 0.000 1.181 203 Y CB -0.100 38.078 38.460 -0.469 0.000 0.989 203 Y HN 0.359 nan 8.280 nan 0.000 0.527 204 E N 0.413 120.571 120.200 -0.070 0.000 2.038 204 E HA -0.310 2.806 4.350 -2.058 0.000 0.195 204 E C 2.040 178.575 176.600 -0.109 0.000 1.000 204 E CA 1.695 58.071 56.400 -0.039 0.000 0.803 204 E CB -0.077 29.602 29.700 -0.035 0.000 0.750 204 E HN 0.367 nan 8.360 nan 0.000 0.448 205 E N 0.045 119.986 120.200 -0.432 0.000 2.072 205 E HA -0.146 2.969 4.350 -2.058 0.000 0.190 205 E C 1.490 177.951 176.600 -0.232 0.000 0.982 205 E CA 1.489 57.617 56.400 -0.452 0.000 0.803 205 E CB 0.223 29.262 29.700 -1.101 0.000 0.755 205 E HN 0.277 nan 8.360 nan 0.000 0.453 206 E N -1.120 118.920 120.200 -0.266 0.000 2.485 206 E HA 0.128 3.243 4.350 -2.058 0.000 0.213 206 E C 1.504 177.955 176.600 -0.248 0.000 0.923 206 E CA 0.290 56.579 56.400 -0.185 0.000 1.054 206 E CB 1.169 30.758 29.700 -0.185 0.000 1.077 206 E HN 0.169 nan 8.360 nan 0.000 0.509 207 V N -0.417 119.300 119.914 -0.328 0.000 2.870 207 V HA 0.068 2.954 4.120 -2.058 0.000 0.232 207 V C 1.416 177.261 176.094 -0.416 0.000 1.161 207 V CA 0.644 62.651 62.300 -0.489 0.000 1.204 207 V CB -0.260 31.104 31.823 -0.766 0.000 1.003 207 V HN 0.010 nan 8.190 nan 0.000 0.499 208 F N 1.018 120.982 119.950 0.024 0.000 2.754 208 F HA 0.236 3.528 4.527 -2.058 0.000 0.297 208 F C 1.566 177.327 175.800 -0.066 0.000 1.122 208 F CA 0.310 58.337 58.000 0.046 0.000 1.400 208 F CB -0.427 38.649 39.000 0.126 0.000 1.117 208 F HN 0.111 nan 8.300 nan 0.000 0.587 209 S N 0.299 115.997 115.700 -0.002 0.000 3.549 209 S HA -0.008 3.227 4.470 -2.058 0.000 0.366 209 S C 0.107 174.256 174.600 -0.753 0.000 1.012 209 S CA 0.377 58.444 58.200 -0.221 0.000 1.141 209 S CB -2.018 61.124 63.200 -0.096 0.000 0.910 209 S HN 0.678 nan 8.310 nan 0.000 0.471 210 A N -0.710 121.882 122.820 -0.381 0.000 2.608 210 A HA 0.677 3.762 4.320 -2.058 0.000 0.292 210 A C -0.314 177.241 177.584 -0.048 0.000 1.066 210 A CA -0.490 51.365 52.037 -0.303 0.000 0.676 210 A CB 0.315 19.175 19.000 -0.233 0.000 1.277 210 A HN 0.332 nan 8.150 nan 0.000 0.413 211 Y N 1.052 121.207 120.300 -0.242 0.000 2.420 211 Y HA 0.115 3.431 4.550 -2.058 0.000 0.292 211 Y C 1.550 177.143 175.900 -0.512 0.000 1.119 211 Y CA 1.062 59.007 58.100 -0.258 0.000 1.229 211 Y CB 0.331 38.683 38.460 -0.180 0.000 1.026 211 Y HN 0.687 nan 8.280 nan 0.000 0.554 212 S N 0.562 115.723 115.700 -0.900 0.000 2.549 212 S HA 0.373 3.608 4.470 -2.058 0.000 0.283 212 S C 0.124 174.162 174.600 -0.937 0.000 1.320 212 S CA 0.182 57.583 58.200 -1.331 0.000 1.058 212 S CB 0.906 63.028 63.200 -1.796 0.000 0.882 212 S HN 0.393 nan 8.310 nan 0.000 0.498 213 A N 5.815 128.093 122.820 -0.903 0.000 2.992 213 A HA 0.495 3.581 4.320 -2.058 0.000 0.263 213 A C -0.586 176.318 177.584 -1.133 0.000 0.928 213 A CA -0.444 50.964 52.037 -1.048 0.000 1.061 213 A CB 0.035 18.898 19.000 -0.229 0.000 1.173 213 A HN 0.709 nan 8.150 nan 0.000 0.482 214 L N 0.692 121.173 121.223 -1.238 0.000 2.356 214 L HA 0.545 3.651 4.340 -2.058 0.000 0.277 214 L C -1.142 175.290 176.870 -0.730 0.000 0.996 214 L CA -0.497 53.926 54.840 -0.695 0.000 0.822 214 L CB 1.734 43.578 42.059 -0.359 0.000 1.256 214 L HN 0.469 nan 8.230 nan 0.000 0.413 215 W N 2.905 124.237 121.300 0.052 0.000 2.463 215 W HA 0.242 3.666 4.660 -2.058 0.000 0.316 215 W C -0.898 175.830 176.519 0.349 0.000 1.004 215 W CA -1.102 56.402 57.345 0.265 0.000 1.309 215 W CB 1.324 31.004 29.460 0.368 0.000 1.288 215 W HN 0.492 nan 8.180 nan 0.000 0.423 216 W N 2.434 123.925 121.300 0.318 0.000 2.170 216 W HA 0.187 3.613 4.660 -2.058 0.000 0.336 216 W C 1.305 177.603 176.519 -0.368 0.000 1.283 216 W CA 0.309 57.693 57.345 0.065 0.000 1.224 216 W CB 0.785 30.267 29.460 0.035 0.000 1.132 216 W HN 0.177 nan 8.180 nan 0.000 0.571 217 S N 2.577 117.947 115.700 -0.550 0.000 2.600 217 S HA 0.183 3.419 4.470 -2.058 0.000 0.265 217 S C -1.781 172.555 174.600 -0.440 0.000 1.325 217 S CA -1.054 56.324 58.200 -1.370 0.000 1.002 217 S CB 0.991 63.434 63.200 -1.262 0.000 0.921 217 S HN 0.278 nan 8.310 nan 0.000 0.554 218 P HA -0.181 nan 4.420 nan 0.000 0.217 218 P C 0.813 178.074 177.300 -0.066 0.000 1.158 218 P CA 1.754 64.816 63.100 -0.063 0.000 0.887 218 P CB -0.231 31.480 31.700 0.018 0.000 0.792 219 N N -2.105 116.540 118.700 -0.091 0.000 2.235 219 N HA 0.146 3.651 4.740 -2.058 0.000 0.209 219 N C 1.005 176.428 175.510 -0.145 0.000 1.122 219 N CA 0.397 53.389 53.050 -0.097 0.000 0.845 219 N CB -0.868 37.578 38.487 -0.069 0.000 1.004 219 N HN 0.168 nan 8.380 nan 0.000 0.499 220 G N -0.757 107.959 108.800 -0.141 0.000 2.155 220 G HA2 -0.355 2.371 3.960 -2.058 0.000 0.257 220 G HA3 -0.355 2.371 3.960 -2.058 0.000 0.257 220 G C 0.910 175.810 174.900 0.000 0.000 0.983 220 G CA 0.910 45.934 45.100 -0.126 0.000 0.676 220 G HN 0.381 nan 8.290 nan 0.000 0.528 221 T N -0.192 114.290 114.554 -0.121 0.000 2.674 221 T HA 0.146 3.261 4.350 -2.058 0.000 0.265 221 T C 0.901 175.439 174.700 -0.270 0.000 1.039 221 T CA 1.427 63.350 62.100 -0.295 0.000 1.150 221 T CB -0.107 68.427 68.868 -0.557 0.000 0.864 221 T HN 0.307 nan 8.240 nan 0.000 0.427 222 F N 0.304 120.296 119.950 0.069 0.000 2.425 222 F HA 0.612 3.904 4.527 -2.058 0.000 0.331 222 F C -0.184 175.698 175.800 0.136 0.000 1.085 222 F CA -1.599 56.485 58.000 0.140 0.000 1.028 222 F CB 1.010 40.184 39.000 0.290 0.000 1.177 222 F HN -0.088 nan 8.300 nan 0.000 0.487 223 L N 2.845 124.223 121.223 0.257 0.000 2.342 223 L HA 0.786 3.891 4.340 -2.058 0.000 0.276 223 L C -0.520 176.454 176.870 0.175 0.000 0.997 223 L CA -0.508 54.302 54.840 -0.051 0.000 0.838 223 L CB 0.565 42.280 42.059 -0.574 0.000 1.224 223 L HN 0.673 nan 8.230 nan 0.000 0.416 224 A N 4.792 127.805 122.820 0.322 0.000 2.304 224 A HA 0.748 3.834 4.320 -2.058 0.000 0.301 224 A C -1.338 176.322 177.584 0.127 0.000 1.132 224 A CA -0.198 51.913 52.037 0.124 0.000 0.819 224 A CB 0.485 19.651 19.000 0.277 0.000 1.094 224 A HN 0.902 nan 8.150 nan 0.000 0.492 225 Y N -1.695 118.353 120.300 -0.419 0.000 2.558 225 Y HA 0.708 4.023 4.550 -2.058 0.000 0.333 225 Y C -0.368 175.286 175.900 -0.409 0.000 1.125 225 Y CA -0.916 57.028 58.100 -0.261 0.000 1.039 225 Y CB 0.840 39.150 38.460 -0.251 0.000 1.331 225 Y HN 0.900 nan 8.280 nan 0.000 0.456 226 A N 3.044 125.885 122.820 0.035 0.000 2.306 226 A HA 0.600 3.685 4.320 -2.058 0.000 0.314 226 A C -0.905 176.514 177.584 -0.275 0.000 1.164 226 A CA -0.768 51.156 52.037 -0.189 0.000 0.822 226 A CB 1.392 20.250 19.000 -0.237 0.000 1.130 226 A HN 0.813 nan 8.150 nan 0.000 0.496 227 Q N 1.670 121.292 119.800 -0.296 0.000 2.331 227 Q HA 0.592 3.697 4.340 -2.058 0.000 0.267 227 Q C -1.926 173.869 176.000 -0.342 0.000 1.006 227 Q CA -0.364 55.371 55.803 -0.114 0.000 0.818 227 Q CB 0.875 29.777 28.738 0.273 0.000 1.276 227 Q HN 0.601 nan 8.270 nan 0.000 0.450 228 F N 2.263 122.326 119.950 0.188 0.000 2.458 228 F HA 0.447 3.740 4.527 -2.058 0.000 0.330 228 F C 0.392 176.365 175.800 0.289 0.000 1.082 228 F CA -0.918 57.181 58.000 0.165 0.000 0.995 228 F CB 1.355 40.367 39.000 0.020 0.000 1.170 228 F HN 0.465 nan 8.300 nan 0.000 0.478 229 N N 1.240 120.191 118.700 0.418 0.000 2.491 229 N HA 0.252 3.758 4.740 -2.058 0.000 0.274 229 N C -1.094 174.603 175.510 0.311 0.000 1.023 229 N CA -0.423 52.818 53.050 0.318 0.000 0.902 229 N CB 1.144 39.758 38.487 0.211 0.000 1.267 229 N HN 0.525 nan 8.380 nan 0.000 0.503 230 D N 1.062 121.661 120.400 0.332 0.000 2.402 230 D HA 0.141 3.546 4.640 -2.058 0.000 0.216 230 D C 1.085 177.503 176.300 0.195 0.000 1.128 230 D CA 0.180 54.357 54.000 0.294 0.000 0.833 230 D CB 0.590 41.639 40.800 0.414 0.000 0.971 230 D HN 0.504 nan 8.370 nan 0.000 0.503 231 T N 0.479 115.125 114.554 0.153 0.000 2.649 231 T HA -0.232 2.884 4.350 -2.058 0.000 0.268 231 T C 1.234 175.989 174.700 0.092 0.000 1.036 231 T CA 1.400 63.563 62.100 0.105 0.000 1.157 231 T CB -0.094 68.824 68.868 0.084 0.000 0.861 231 T HN 0.355 nan 8.240 nan 0.000 0.445 232 E N 0.347 120.604 120.200 0.094 0.000 2.501 232 E HA 0.216 3.331 4.350 -2.058 0.000 0.200 232 E C -0.425 176.227 176.600 0.087 0.000 1.016 232 E CA -0.248 56.199 56.400 0.077 0.000 0.921 232 E CB 0.586 30.323 29.700 0.063 0.000 1.034 232 E HN 0.211 nan 8.360 nan 0.000 0.468 233 V N 3.751 123.733 119.914 0.113 0.000 2.521 233 V HA 0.077 2.963 4.120 -2.058 0.000 0.286 233 V C -1.991 174.166 176.094 0.106 0.000 1.034 233 V CA -1.359 61.013 62.300 0.121 0.000 1.045 233 V CB 0.087 32.005 31.823 0.158 0.000 0.974 233 V HN 0.044 nan 8.190 nan 0.000 0.480 234 P HA 0.307 nan 4.420 nan 0.000 0.272 234 P C -0.761 176.584 177.300 0.076 0.000 1.223 234 P CA -0.351 62.793 63.100 0.073 0.000 0.784 234 P CB 0.530 32.271 31.700 0.068 0.000 0.923 235 L N 2.344 123.588 121.223 0.036 0.000 2.282 235 L HA 0.393 3.498 4.340 -2.058 0.000 0.288 235 L C 0.423 177.255 176.870 -0.064 0.000 1.033 235 L CA -0.983 53.861 54.840 0.007 0.000 0.807 235 L CB 0.862 42.919 42.059 -0.005 0.000 1.209 235 L HN 0.291 nan 8.230 nan 0.000 0.423 236 I N 3.201 123.686 120.570 -0.142 0.000 2.496 236 I HA 0.149 3.085 4.170 -2.058 0.000 0.285 236 I C -0.110 175.875 176.117 -0.220 0.000 1.080 236 I CA 0.335 61.445 61.300 -0.317 0.000 1.404 236 I CB 0.470 37.986 38.000 -0.808 0.000 1.403 236 I HN 0.575 nan 8.210 nan 0.000 0.539 237 E N 7.489 127.580 120.200 -0.182 0.000 2.222 237 E HA 0.525 3.641 4.350 -2.058 0.000 0.267 237 E C -1.755 174.800 176.600 -0.075 0.000 0.884 237 E CA -0.617 55.678 56.400 -0.175 0.000 0.764 237 E CB 2.103 31.725 29.700 -0.131 0.000 1.169 237 E HN 0.553 nan 8.360 nan 0.000 0.413 238 Y N -1.891 118.327 120.300 -0.138 0.000 2.592 238 Y HA 0.467 3.782 4.550 -2.057 0.000 0.334 238 Y C -0.753 175.074 175.900 -0.121 0.000 1.136 238 Y CA -1.254 56.769 58.100 -0.129 0.000 1.042 238 Y CB 0.741 39.129 38.460 -0.119 0.000 1.325 238 Y HN 0.197 nan 8.280 nan 0.000 0.457 239 S N 2.351 118.031 115.700 -0.034 0.000 2.549 239 S HA 0.390 3.625 4.470 -2.058 0.000 0.279 239 S C -1.265 173.137 174.600 -0.330 0.000 1.321 239 S CA -0.217 57.808 58.200 -0.292 0.000 1.054 239 S CB 0.094 62.982 63.200 -0.520 0.000 0.899 239 S HN 0.528 nan 8.310 nan 0.000 0.497 240 F N 2.770 122.428 119.950 -0.486 0.000 2.460 240 F HA 0.418 3.710 4.527 -2.058 0.000 0.341 240 F C -0.154 175.413 175.800 -0.388 0.000 1.130 240 F CA -0.823 56.976 58.000 -0.335 0.000 0.962 240 F CB 0.784 39.731 39.000 -0.089 0.000 1.171 240 F HN 0.669 nan 8.300 nan 0.000 0.436 241 Y N 2.690 122.833 120.300 -0.262 0.000 2.397 241 Y HA 0.117 3.432 4.550 -2.058 0.000 0.292 241 Y C 1.696 177.564 175.900 -0.054 0.000 1.115 241 Y CA 1.077 59.098 58.100 -0.131 0.000 1.208 241 Y CB -0.421 37.934 38.460 -0.176 0.000 1.046 241 Y HN 0.724 nan 8.280 nan 0.000 0.552 242 S N -0.121 115.563 115.700 -0.028 0.000 3.683 242 S HA -0.300 2.935 4.470 -2.058 0.000 0.636 242 S C -0.281 174.390 174.600 0.119 0.000 2.235 242 S CA 0.132 58.445 58.200 0.189 0.000 2.445 242 S CB -1.536 61.864 63.200 0.333 0.000 0.330 242 S HN 0.585 nan 8.310 nan 0.000 1.763 243 D N 1.373 121.853 120.400 0.133 0.000 2.423 243 D HA 0.242 3.647 4.640 -2.058 0.000 0.238 243 D C 1.612 177.952 176.300 0.067 0.000 1.142 243 D CA 0.756 54.808 54.000 0.087 0.000 0.884 243 D CB 0.546 41.395 40.800 0.083 0.000 1.199 243 D HN 0.618 nan 8.370 nan 0.000 0.438 244 E N 1.023 121.248 120.200 0.042 0.000 2.396 244 E HA -0.242 2.873 4.350 -2.058 0.000 0.200 244 E C 1.197 177.813 176.600 0.026 0.000 1.023 244 E CA 1.145 57.560 56.400 0.025 0.000 0.857 244 E CB -0.218 29.486 29.700 0.007 0.000 0.775 244 E HN 0.374 nan 8.360 nan 0.000 0.525 245 S N 0.331 116.053 115.700 0.036 0.000 2.489 245 S HA -0.046 3.189 4.470 -2.058 0.000 0.228 245 S C 0.872 175.499 174.600 0.045 0.000 0.995 245 S CA -0.272 57.949 58.200 0.034 0.000 0.934 245 S CB -0.220 63.001 63.200 0.036 0.000 0.771 245 S HN 0.281 nan 8.310 nan 0.000 0.522 246 L N 2.706 123.966 121.223 0.063 0.000 2.500 246 L HA 0.265 3.371 4.340 -2.058 0.000 0.272 246 L C 1.391 178.295 176.870 0.057 0.000 1.149 246 L CA 0.280 55.167 54.840 0.079 0.000 0.897 246 L CB 0.444 42.569 42.059 0.110 0.000 1.178 246 L HN 0.307 nan 8.230 nan 0.000 0.473 247 Q N 3.904 123.738 119.800 0.057 0.000 2.049 247 Q HA -0.072 3.034 4.340 -2.058 0.000 0.198 247 Q C -0.440 175.469 176.000 -0.153 0.000 0.971 247 Q CA 1.178 56.959 55.803 -0.037 0.000 0.833 247 Q CB 0.133 28.868 28.738 -0.005 0.000 0.896 247 Q HN 0.666 nan 8.270 nan 0.000 0.434 248 Y N 1.032 121.350 120.300 0.030 0.000 2.331 248 Y HA 0.351 3.667 4.550 -2.058 0.000 0.338 248 Y C -1.977 173.943 175.900 0.033 0.000 0.992 248 Y CA -2.798 55.318 58.100 0.027 0.000 1.121 248 Y CB 1.176 39.642 38.460 0.011 0.000 1.184 248 Y HN 0.203 nan 8.280 nan 0.000 0.469 249 P HA 0.037 nan 4.420 nan 0.000 0.270 249 P C -0.756 176.573 177.300 0.048 0.000 1.223 249 P CA -0.500 62.647 63.100 0.078 0.000 0.785 249 P CB 0.734 32.443 31.700 0.016 0.000 0.923 250 K N 0.617 121.023 120.400 0.011 0.000 2.110 250 K HA 0.370 3.455 4.320 -2.058 0.000 0.263 250 K C -0.694 175.863 176.600 -0.071 0.000 0.975 250 K CA -0.388 55.897 56.287 -0.003 0.000 0.895 250 K CB 0.578 33.096 32.500 0.030 0.000 1.060 250 K HN 0.340 nan 8.250 nan 0.000 0.448 251 T N 2.792 117.291 114.554 -0.093 0.000 2.743 251 T HA 0.222 3.337 4.350 -2.058 0.000 0.292 251 T C -0.491 174.086 174.700 -0.206 0.000 0.972 251 T CA -0.655 61.354 62.100 -0.152 0.000 0.967 251 T CB 0.962 69.758 68.868 -0.119 0.000 0.926 251 T HN 0.253 nan 8.240 nan 0.000 0.459 252 V N 5.411 125.109 119.914 -0.359 0.000 2.530 252 V HA 0.405 3.290 4.120 -2.058 0.000 0.282 252 V C 0.477 176.303 176.094 -0.446 0.000 1.048 252 V CA -0.482 61.551 62.300 -0.444 0.000 0.997 252 V CB 0.699 32.099 31.823 -0.704 0.000 0.987 252 V HN 0.722 nan 8.190 nan 0.000 0.477 253 R N 3.514 123.882 120.500 -0.220 0.000 2.476 253 R HA 0.714 3.819 4.340 -2.058 0.000 0.305 253 R C -1.722 174.570 176.300 -0.014 0.000 0.965 253 R CA -0.589 55.433 56.100 -0.130 0.000 0.867 253 R CB 2.207 32.459 30.300 -0.080 0.000 1.176 253 R HN 0.512 nan 8.270 nan 0.000 0.447 254 V N 3.814 123.726 119.914 -0.004 0.000 2.525 254 V HA 0.312 3.198 4.120 -2.058 0.000 0.299 254 V C -2.378 173.780 176.094 0.106 0.000 1.034 254 V CA -2.473 59.891 62.300 0.107 0.000 0.863 254 V CB 2.060 33.916 31.823 0.054 0.000 0.999 254 V HN 0.610 nan 8.190 nan 0.000 0.423 255 P HA 0.106 nan 4.420 nan 0.000 0.260 255 P C -1.212 176.211 177.300 0.205 0.000 1.207 255 P CA 0.586 63.805 63.100 0.199 0.000 0.780 255 P CB -0.320 31.545 31.700 0.275 0.000 0.789 256 Y N 6.368 126.660 120.300 -0.013 0.000 2.307 256 Y HA 0.406 3.721 4.550 -2.058 0.000 0.323 256 Y C -2.713 173.166 175.900 -0.035 0.000 1.100 256 Y CA -2.846 55.191 58.100 -0.105 0.000 1.140 256 Y CB 2.126 40.396 38.460 -0.317 0.000 1.159 256 Y HN 0.275 nan 8.280 nan 0.000 0.436 257 P HA 0.252 nan 4.420 nan 0.000 0.292 257 P C -1.181 176.156 177.300 0.063 0.000 1.326 257 P CA -0.242 62.893 63.100 0.058 0.000 0.787 257 P CB 1.376 33.100 31.700 0.039 0.000 0.903 258 K N 1.983 122.514 120.400 0.218 0.000 2.107 258 K HA 0.512 3.598 4.320 -2.058 0.000 0.251 258 K C 0.533 177.235 176.600 0.171 0.000 1.012 258 K CA -0.727 55.710 56.287 0.250 0.000 0.920 258 K CB 0.603 33.274 32.500 0.286 0.000 1.033 258 K HN 0.452 nan 8.250 nan 0.000 0.478 259 A N 0.924 123.874 122.820 0.215 0.000 2.580 259 A HA 0.239 3.324 4.320 -2.058 0.000 0.244 259 A C 1.233 178.860 177.584 0.072 0.000 1.045 259 A CA 1.117 53.269 52.037 0.193 0.000 0.761 259 A CB -1.216 18.000 19.000 0.359 0.000 0.962 259 A HN 0.926 nan 8.150 nan 0.000 0.512 260 G N 1.007 109.834 108.800 0.044 0.000 2.225 260 G HA2 0.110 2.835 3.960 -2.058 0.000 0.254 260 G HA3 0.110 2.835 3.960 -2.058 0.000 0.254 260 G C 0.703 175.615 174.900 0.020 0.000 0.988 260 G CA 0.729 45.826 45.100 -0.005 0.000 0.625 260 G HN 2.220 nan 8.290 nan 0.000 0.527 261 A N -0.141 122.710 122.820 0.051 0.000 2.280 261 A HA 0.761 3.846 4.320 -2.058 0.000 0.268 261 A C 1.099 178.716 177.584 0.055 0.000 1.111 261 A CA 0.468 52.540 52.037 0.057 0.000 0.814 261 A CB 0.678 19.728 19.000 0.084 0.000 1.093 261 A HN 1.915 nan 8.150 nan 0.000 0.498 262 V N 0.920 120.867 119.914 0.056 0.000 2.572 262 V HA 0.274 3.159 4.120 -2.058 0.000 0.291 262 V C -0.036 176.103 176.094 0.076 0.000 1.039 262 V CA -0.481 61.852 62.300 0.055 0.000 1.055 262 V CB 0.082 31.934 31.823 0.049 0.000 0.969 262 V HN 0.751 nan 8.190 nan 0.000 0.482 263 N N 6.423 125.166 118.700 0.072 0.000 2.495 263 N HA 0.567 4.072 4.740 -2.058 0.000 0.280 263 N C -2.607 172.989 175.510 0.144 0.000 1.168 263 N CA -1.653 51.463 53.050 0.109 0.000 0.978 263 N CB 1.053 39.590 38.487 0.083 0.000 1.191 263 N HN 0.642 nan 8.380 nan 0.000 0.497 264 P HA 0.040 nan 4.420 nan 0.000 0.269 264 P C -0.365 177.096 177.300 0.269 0.000 1.209 264 P CA -0.057 63.212 63.100 0.281 0.000 0.776 264 P CB 0.202 32.134 31.700 0.387 0.000 0.876 265 T N -0.988 113.699 114.554 0.222 0.000 2.927 265 T HA 0.544 3.659 4.350 -2.058 0.000 0.281 265 T C -0.204 174.633 174.700 0.228 0.000 0.998 265 T CA -0.819 61.375 62.100 0.156 0.000 1.019 265 T CB 1.466 70.387 68.868 0.089 0.000 1.061 265 T HN 0.324 nan 8.240 nan 0.000 0.518 266 V N 0.654 120.676 119.914 0.180 0.000 2.760 266 V HA 0.694 3.579 4.120 -2.058 0.000 0.309 266 V C -1.342 174.839 176.094 0.146 0.000 1.077 266 V CA -0.832 61.542 62.300 0.124 0.000 0.910 266 V CB 1.949 33.886 31.823 0.190 0.000 1.008 266 V HN 1.038 nan 8.190 nan 0.000 0.424 267 K N 4.795 125.210 120.400 0.024 0.000 2.340 267 K HA 0.617 3.702 4.320 -2.058 0.000 0.244 267 K C -1.774 174.724 176.600 -0.170 0.000 0.973 267 K CA -0.525 55.732 56.287 -0.051 0.000 0.828 267 K CB 2.697 35.126 32.500 -0.119 0.000 1.226 267 K HN 0.581 nan 8.250 nan 0.000 0.437 268 F N 2.182 121.826 119.950 -0.509 0.000 2.507 268 F HA 0.532 3.824 4.527 -2.058 0.000 0.325 268 F C -1.428 173.820 175.800 -0.920 0.000 1.116 268 F CA -0.645 57.036 58.000 -0.531 0.000 0.930 268 F CB 0.800 39.630 39.000 -0.283 0.000 1.146 268 F HN 0.364 nan 8.300 nan 0.000 0.447 269 F N 3.921 123.171 119.950 -1.167 0.000 2.611 269 F HA 0.788 4.080 4.527 -2.058 0.000 0.324 269 F C -0.903 174.283 175.800 -1.023 0.000 1.061 269 F CA -1.266 56.146 58.000 -0.981 0.000 0.954 269 F CB 2.000 40.311 39.000 -1.147 0.000 1.301 269 F HN 0.086 nan 8.300 nan 0.000 0.482 270 V N 2.269 121.988 119.914 -0.325 0.000 2.569 270 V HA 0.496 3.381 4.120 -2.058 0.000 0.301 270 V C -1.173 175.009 176.094 0.146 0.000 1.044 270 V CA -0.801 61.384 62.300 -0.192 0.000 0.874 270 V CB 1.866 33.343 31.823 -0.576 0.000 1.002 270 V HN 0.608 nan 8.190 nan 0.000 0.424 271 V N 4.573 124.647 119.914 0.267 0.000 2.513 271 V HA 0.561 3.446 4.120 -2.058 0.000 0.299 271 V C -0.098 176.257 176.094 0.435 0.000 1.035 271 V CA -0.543 61.949 62.300 0.320 0.000 0.889 271 V CB 1.977 33.931 31.823 0.218 0.000 0.988 271 V HN 0.929 nan 8.190 nan 0.000 0.440 272 N N 3.901 122.868 118.700 0.444 0.000 2.401 272 N HA 0.102 3.607 4.740 -2.058 0.000 0.255 272 N C 1.172 176.730 175.510 0.080 0.000 1.110 272 N CA 0.653 53.864 53.050 0.268 0.000 0.949 272 N CB 1.563 40.190 38.487 0.232 0.000 1.110 272 N HN 0.888 nan 8.380 nan 0.000 0.490 273 T N -0.170 114.407 114.554 0.039 0.000 3.035 273 T HA -0.027 3.088 4.350 -2.058 0.000 0.268 273 T C 0.763 175.430 174.700 -0.055 0.000 1.109 273 T CA 0.700 62.811 62.100 0.018 0.000 1.119 273 T CB 0.117 69.089 68.868 0.174 0.000 0.900 273 T HN 0.276 nan 8.240 nan 0.000 0.503 274 D N 2.203 122.553 120.400 -0.084 0.000 2.234 274 D HA 0.004 3.409 4.640 -2.058 0.000 0.205 274 D C 1.873 178.127 176.300 -0.076 0.000 0.962 274 D CA 1.176 55.122 54.000 -0.091 0.000 0.855 274 D CB -0.151 40.578 40.800 -0.119 0.000 0.951 274 D HN 0.651 nan 8.370 nan 0.000 0.500 275 S N -0.088 115.577 115.700 -0.057 0.000 2.583 275 S HA 0.177 3.413 4.470 -2.058 0.000 0.239 275 S C 0.579 175.145 174.600 -0.058 0.000 0.966 275 S CA -0.591 57.591 58.200 -0.029 0.000 0.973 275 S CB 0.123 63.338 63.200 0.026 0.000 0.794 275 S HN -0.096 nan 8.310 nan 0.000 0.463 276 L N 2.192 123.322 121.223 -0.155 0.000 2.482 276 L HA 0.473 3.578 4.340 -2.058 0.000 0.273 276 L C 0.581 177.314 176.870 -0.227 0.000 1.228 276 L CA 0.644 55.310 54.840 -0.290 0.000 0.827 276 L CB 0.793 42.434 42.059 -0.698 0.000 1.099 276 L HN 0.358 nan 8.230 nan 0.000 0.494 277 S N -0.924 114.704 115.700 -0.120 0.000 2.541 277 S HA 0.425 3.661 4.470 -2.058 0.000 0.271 277 S C 0.403 175.168 174.600 0.275 0.000 1.133 277 S CA -0.337 57.909 58.200 0.077 0.000 0.876 277 S CB 1.546 64.785 63.200 0.066 0.000 1.105 277 S HN 0.574 nan 8.310 nan 0.000 0.470 278 S N 1.502 117.393 115.700 0.318 0.000 2.528 278 S HA -0.002 3.234 4.470 -2.058 0.000 0.219 278 S C 1.480 176.178 174.600 0.164 0.000 0.985 278 S CA 0.741 59.104 58.200 0.272 0.000 0.914 278 S CB -0.013 63.299 63.200 0.186 0.000 0.776 278 S HN 0.890 nan 8.310 nan 0.000 0.526 279 V N -0.465 119.528 119.914 0.131 0.000 3.661 279 V HA 0.334 3.219 4.120 -2.058 0.000 0.271 279 V C 0.513 176.650 176.094 0.072 0.000 1.315 279 V CA 0.434 62.787 62.300 0.087 0.000 1.072 279 V CB -0.296 31.566 31.823 0.065 0.000 0.830 279 V HN 0.446 nan 8.190 nan 0.000 0.443 280 T N -1.098 113.508 114.554 0.086 0.000 2.893 280 T HA 0.532 3.648 4.350 -2.058 0.000 0.293 280 T C -0.650 174.103 174.700 0.089 0.000 1.027 280 T CA -0.591 61.546 62.100 0.062 0.000 0.988 280 T CB 1.778 70.674 68.868 0.047 0.000 1.043 280 T HN 0.120 nan 8.240 nan 0.000 0.461 281 N N 1.492 120.229 118.700 0.062 0.000 2.492 281 N HA 0.461 3.966 4.740 -2.058 0.000 0.260 281 N C 0.327 175.894 175.510 0.096 0.000 1.215 281 N CA -0.086 53.025 53.050 0.103 0.000 0.923 281 N CB 0.728 39.218 38.487 0.006 0.000 1.092 281 N HN 1.021 nan 8.380 nan 0.000 0.448 282 A N 1.583 124.477 122.820 0.124 0.000 2.511 282 A HA 0.199 3.285 4.320 -2.058 0.000 0.242 282 A C 0.111 177.746 177.584 0.085 0.000 1.069 282 A CA 0.123 52.209 52.037 0.083 0.000 0.763 282 A CB -0.105 18.929 19.000 0.057 0.000 1.001 282 A HN 0.551 nan 8.150 nan 0.000 0.498 283 T N 3.076 117.687 114.554 0.095 0.000 2.738 283 T HA 0.373 3.488 4.350 -2.058 0.000 0.298 283 T C 0.117 174.910 174.700 0.155 0.000 0.962 283 T CA -0.027 62.141 62.100 0.114 0.000 0.972 283 T CB 0.398 69.340 68.868 0.122 0.000 0.928 283 T HN 0.548 nan 8.240 nan 0.000 0.474 284 S N 4.239 120.023 115.700 0.141 0.000 2.452 284 S HA 0.362 3.597 4.470 -2.058 0.000 0.284 284 S C 0.369 175.128 174.600 0.265 0.000 1.171 284 S CA -0.851 57.462 58.200 0.189 0.000 1.064 284 S CB 0.298 63.550 63.200 0.087 0.000 0.967 284 S HN 0.487 nan 8.310 nan 0.000 0.484 285 I N 3.383 124.120 120.570 0.279 0.000 2.352 285 I HA 0.192 3.128 4.170 -2.058 0.000 0.290 285 I C 0.678 176.907 176.117 0.187 0.000 1.036 285 I CA -0.170 61.297 61.300 0.278 0.000 1.336 285 I CB 0.466 38.713 38.000 0.411 0.000 1.407 285 I HN 0.698 nan 8.210 nan 0.000 0.497 286 Q N 6.215 126.100 119.800 0.141 0.000 2.314 286 Q HA 0.375 3.480 4.340 -2.058 0.000 0.258 286 Q C -0.958 174.988 176.000 -0.089 0.000 0.954 286 Q CA -0.176 55.537 55.803 -0.150 0.000 0.890 286 Q CB 0.927 29.545 28.738 -0.200 0.000 1.210 286 Q HN 0.560 nan 8.270 nan 0.000 0.410 287 I N 4.479 124.981 120.570 -0.114 0.000 2.330 287 I HA 0.190 3.126 4.170 -2.058 0.000 0.286 287 I C 0.134 176.232 176.117 -0.031 0.000 1.025 287 I CA -0.632 60.659 61.300 -0.015 0.000 1.197 287 I CB 1.361 39.373 38.000 0.019 0.000 1.358 287 I HN 0.697 nan 8.210 nan 0.000 0.467 288 T N 3.211 117.701 114.554 -0.106 0.000 2.913 288 T HA 0.608 3.723 4.350 -2.058 0.000 0.297 288 T C 0.454 174.918 174.700 -0.394 0.000 1.029 288 T CA -0.900 61.070 62.100 -0.216 0.000 1.104 288 T CB 1.460 70.210 68.868 -0.196 0.000 0.964 288 T HN 0.580 nan 8.240 nan 0.000 0.532 289 A N 4.180 126.488 122.820 -0.853 0.000 2.466 289 A HA 0.486 3.571 4.320 -2.058 0.000 0.238 289 A C -1.744 175.344 177.584 -0.826 0.000 1.074 289 A CA -1.270 49.836 52.037 -1.552 0.000 0.774 289 A CB -0.775 17.022 19.000 -2.005 0.000 1.015 289 A HN 0.799 nan 8.150 nan 0.000 0.498 290 P HA 0.134 nan 4.420 nan 0.000 0.270 290 P C 0.770 177.865 177.300 -0.342 0.000 1.223 290 P CA 0.575 63.455 63.100 -0.368 0.000 0.785 290 P CB 0.631 32.187 31.700 -0.240 0.000 0.923 291 A N 2.114 124.801 122.820 -0.222 0.000 1.978 291 A HA -0.198 2.887 4.320 -2.058 0.000 0.220 291 A C 2.235 179.716 177.584 -0.170 0.000 1.170 291 A CA 2.312 54.239 52.037 -0.184 0.000 0.636 291 A CB -1.759 17.166 19.000 -0.125 0.000 0.810 291 A HN 0.670 nan 8.150 nan 0.000 0.448 292 S N -1.131 114.487 115.700 -0.137 0.000 2.419 292 S HA -0.128 3.108 4.470 -2.058 0.000 0.233 292 S C 1.801 176.330 174.600 -0.118 0.000 1.016 292 S CA 1.631 59.775 58.200 -0.094 0.000 0.974 292 S CB -0.337 62.875 63.200 0.019 0.000 0.786 292 S HN 0.415 nan 8.310 nan 0.000 0.492 293 M N 0.749 120.215 119.600 -0.223 0.000 2.447 293 M HA 0.343 3.589 4.480 -2.058 0.000 0.266 293 M C 2.053 178.110 176.300 -0.405 0.000 1.120 293 M CA 0.727 55.834 55.300 -0.323 0.000 1.166 293 M CB -1.114 31.143 32.600 -0.570 0.000 1.349 293 M HN 0.323 nan 8.290 nan 0.000 0.463 294 L N 0.949 121.919 121.223 -0.422 0.000 2.362 294 L HA -0.098 3.008 4.340 -2.058 0.000 0.219 294 L C 2.256 179.064 176.870 -0.102 0.000 1.134 294 L CA 0.471 55.146 54.840 -0.275 0.000 0.807 294 L CB -0.700 41.204 42.059 -0.259 0.000 0.927 294 L HN 0.305 nan 8.230 nan 0.000 0.447 295 I N -2.865 117.643 120.570 -0.102 0.000 3.001 295 I HA 0.130 3.066 4.170 -2.058 0.000 0.268 295 I C 1.021 177.119 176.117 -0.031 0.000 1.267 295 I CA 0.510 61.771 61.300 -0.064 0.000 1.472 295 I CB -0.496 37.457 38.000 -0.078 0.000 1.089 295 I HN 0.083 nan 8.210 nan 0.000 0.468 296 G N 0.126 108.927 108.800 0.001 0.000 2.827 296 G HA2 0.299 3.025 3.960 -2.058 0.000 0.296 296 G HA3 0.299 3.025 3.960 -2.058 0.000 0.296 296 G C -1.766 173.180 174.900 0.077 0.000 1.362 296 G CA -0.571 44.541 45.100 0.019 0.000 0.809 296 G HN 0.017 nan 8.290 nan 0.000 0.522 297 D N 1.172 121.571 120.400 -0.002 0.000 2.455 297 D HA 0.385 3.791 4.640 -2.058 0.000 0.241 297 D C 0.376 176.613 176.300 -0.105 0.000 1.138 297 D CA 0.711 54.650 54.000 -0.102 0.000 0.877 297 D CB 0.419 41.129 40.800 -0.150 0.000 1.187 297 D HN 0.521 nan 8.370 nan 0.000 0.451 298 H N -0.517 118.422 119.070 -0.219 0.000 2.966 298 H HA 0.462 3.783 4.556 -2.058 0.000 0.330 298 H C -1.317 173.882 175.328 -0.214 0.000 1.292 298 H CA -0.820 55.115 56.048 -0.188 0.000 1.127 298 H CB 0.384 30.152 29.762 0.010 0.000 1.863 298 H HN 0.288 nan 8.280 nan 0.000 0.543 299 Y N 0.000 120.534 120.300 0.389 0.000 2.536 299 Y HA 0.378 3.694 4.550 -2.057 0.000 0.347 299 Y C -0.286 175.915 175.900 0.500 0.000 1.000 299 Y CA -1.196 57.139 58.100 0.392 0.000 1.051 299 Y CB 1.934 40.459 38.460 0.108 0.000 1.259 299 Y HN 0.462 nan 8.280 nan 0.000 0.468 300 L N 3.045 124.630 121.223 0.603 0.000 2.278 300 L HA 0.351 3.457 4.340 -2.058 0.000 0.287 300 L C 0.464 177.389 176.870 0.093 0.000 1.072 300 L CA -0.218 54.636 54.840 0.024 0.000 0.819 300 L CB 0.284 42.254 42.059 -0.148 0.000 1.176 300 L HN 0.991 nan 8.230 nan 0.000 0.435 301 C N 1.439 120.664 119.300 -0.124 0.000 3.228 301 C HA 0.499 3.724 4.460 -2.058 0.000 0.290 301 C C 0.180 175.051 174.990 -0.199 0.000 1.301 301 C CA -0.444 58.439 59.018 -0.225 0.000 1.703 301 C CB -0.769 26.891 27.740 -0.133 0.000 2.141 301 C HN 0.849 nan 8.230 nan 0.000 0.656 302 D N 0.316 120.621 120.400 -0.157 0.000 2.812 302 D HA 0.378 3.783 4.640 -2.058 0.000 0.210 302 D C -1.822 174.239 176.300 -0.398 0.000 1.260 302 D CA 0.122 54.049 54.000 -0.121 0.000 0.817 302 D CB 2.730 43.443 40.800 -0.145 0.000 1.694 302 D HN 0.066 nan 8.370 nan 0.000 0.530 303 V N 2.447 122.055 119.914 -0.509 0.000 2.531 303 V HA 0.621 3.507 4.120 -2.058 0.000 0.301 303 V C -0.292 175.448 176.094 -0.589 0.000 1.034 303 V CA -0.358 61.393 62.300 -0.916 0.000 0.865 303 V CB 1.944 32.647 31.823 -1.866 0.000 0.995 303 V HN 0.639 nan 8.190 nan 0.000 0.424 304 T N 3.410 117.689 114.554 -0.458 0.000 3.170 304 T HA 0.291 3.406 4.350 -2.058 0.000 0.315 304 T C -0.854 173.734 174.700 -0.186 0.000 0.967 304 T CA -0.485 61.516 62.100 -0.165 0.000 1.024 304 T CB 0.561 69.411 68.868 -0.030 0.000 1.018 304 T HN 0.534 nan 8.240 nan 0.000 0.449 305 W N 2.216 123.472 121.300 -0.072 0.000 2.223 305 W HA 0.430 3.855 4.660 -2.058 0.000 0.334 305 W C 1.200 177.626 176.519 -0.154 0.000 1.334 305 W CA -0.158 57.139 57.345 -0.078 0.000 1.246 305 W CB 0.500 29.995 29.460 0.058 0.000 1.184 305 W HN 0.836 nan 8.180 nan 0.000 0.563 306 A N 2.100 124.836 122.820 -0.139 0.000 1.920 306 A HA 0.202 3.287 4.320 -2.058 0.000 0.209 306 A C 0.887 178.455 177.584 -0.027 0.000 1.229 306 A CA 1.465 53.213 52.037 -0.482 0.000 0.671 306 A CB -0.319 17.887 19.000 -1.325 0.000 0.886 306 A HN 0.529 nan 8.150 nan 0.000 0.461 307 T N -5.613 109.017 114.554 0.127 0.000 2.696 307 T HA 0.352 3.467 4.350 -2.058 0.000 0.291 307 T C 0.211 175.089 174.700 0.297 0.000 1.095 307 T CA -0.399 61.814 62.100 0.189 0.000 1.026 307 T CB 0.729 69.688 68.868 0.151 0.000 1.390 307 T HN -0.047 nan 8.240 nan 0.000 0.513 308 Q N 0.366 120.300 119.800 0.223 0.000 2.234 308 Q HA -0.033 3.072 4.340 -2.058 0.000 0.206 308 Q C 0.848 177.113 176.000 0.442 0.000 0.980 308 Q CA 1.645 57.579 55.803 0.218 0.000 0.869 308 Q CB -0.170 28.650 28.738 0.138 0.000 0.912 308 Q HN 0.825 nan 8.270 nan 0.000 0.436 309 E N -0.371 120.106 120.200 0.461 0.000 2.876 309 E HA 0.206 3.321 4.350 -2.058 0.000 0.208 309 E C -0.334 176.564 176.600 0.496 0.000 0.981 309 E CA -0.168 56.536 56.400 0.507 0.000 1.174 309 E CB 0.973 30.862 29.700 0.315 0.000 1.047 309 E HN -0.029 nan 8.360 nan 0.000 0.477 310 R N 1.453 122.277 120.500 0.539 0.000 2.533 310 R HA 0.525 3.630 4.340 -2.058 0.000 0.288 310 R C -1.862 174.467 176.300 0.048 0.000 1.039 310 R CA -0.485 55.784 56.100 0.282 0.000 0.909 310 R CB 1.390 31.734 30.300 0.073 0.000 1.195 310 R HN 0.092 nan 8.270 nan 0.000 0.438 311 I N 2.969 123.383 120.570 -0.259 0.000 2.608 311 I HA 0.432 3.367 4.170 -2.058 0.000 0.295 311 I C -0.954 174.838 176.117 -0.542 0.000 1.049 311 I CA -0.518 60.355 61.300 -0.711 0.000 1.063 311 I CB 2.288 39.432 38.000 -1.427 0.000 1.248 311 I HN 0.837 nan 8.210 nan 0.000 0.424 312 S N 7.768 123.146 115.700 -0.536 0.000 2.451 312 S HA 0.689 3.924 4.470 -2.058 0.000 0.301 312 S C -1.064 173.223 174.600 -0.522 0.000 1.116 312 S CA -0.795 57.167 58.200 -0.397 0.000 1.093 312 S CB 1.507 64.601 63.200 -0.176 0.000 1.017 312 S HN 0.414 nan 8.310 nan 0.000 0.482 313 L N 2.739 123.661 121.223 -0.503 0.000 2.346 313 L HA 0.544 3.650 4.340 -2.058 0.000 0.276 313 L C 0.045 176.625 176.870 -0.484 0.000 1.006 313 L CA -0.283 54.151 54.840 -0.676 0.000 0.817 313 L CB 1.373 42.973 42.059 -0.765 0.000 1.272 313 L HN 0.846 nan 8.230 nan 0.000 0.421 314 Q N 2.095 121.571 119.800 -0.539 0.000 2.316 314 Q HA 0.447 3.553 4.340 -2.058 0.000 0.264 314 Q C -1.493 174.267 176.000 -0.400 0.000 0.987 314 Q CA -0.440 55.167 55.803 -0.327 0.000 0.852 314 Q CB 2.230 30.833 28.738 -0.224 0.000 1.287 314 Q HN 0.473 nan 8.270 nan 0.000 0.448 315 W N 2.241 123.496 121.300 -0.075 0.000 2.719 315 W HA 0.663 4.089 4.660 -2.058 0.000 0.352 315 W C -0.748 175.803 176.519 0.054 0.000 1.085 315 W CA -0.555 56.797 57.345 0.011 0.000 1.187 315 W CB 1.306 30.748 29.460 -0.029 0.000 1.417 315 W HN 0.300 nan 8.180 nan 0.000 0.557 316 L N 2.495 123.961 121.223 0.405 0.000 2.436 316 L HA 0.505 3.611 4.340 -2.058 0.000 0.268 316 L C 0.026 177.096 176.870 0.334 0.000 0.974 316 L CA -1.113 53.917 54.840 0.317 0.000 0.826 316 L CB 1.686 43.928 42.059 0.305 0.000 1.291 316 L HN 0.466 nan 8.230 nan 0.000 0.406 317 R N 2.127 122.786 120.500 0.265 0.000 2.643 317 R HA 0.110 3.216 4.340 -2.058 0.000 0.270 317 R C 1.027 177.409 176.300 0.138 0.000 1.061 317 R CA -0.119 56.089 56.100 0.181 0.000 1.107 317 R CB 0.833 31.228 30.300 0.159 0.000 0.999 317 R HN 0.593 nan 8.270 nan 0.000 0.460 318 R N 1.748 122.240 120.500 -0.013 0.000 2.105 318 R HA -0.112 2.993 4.340 -2.058 0.000 0.239 318 R C 0.264 176.628 176.300 0.106 0.000 1.135 318 R CA 1.308 57.389 56.100 -0.031 0.000 0.967 318 R CB -0.059 30.161 30.300 -0.134 0.000 0.861 318 R HN 0.455 nan 8.270 nan 0.000 0.442 319 I N 2.107 122.720 120.570 0.072 0.000 2.347 319 I HA -0.018 2.918 4.170 -2.058 0.000 0.294 319 I C 0.491 176.674 176.117 0.110 0.000 1.090 319 I CA 0.479 61.823 61.300 0.074 0.000 1.314 319 I CB 1.410 39.438 38.000 0.047 0.000 1.423 319 I HN 0.135 nan 8.210 nan 0.000 0.503 320 Q N 4.763 124.625 119.800 0.104 0.000 2.294 320 Q HA 0.029 3.134 4.340 -2.058 0.000 0.256 320 Q C 0.562 176.643 176.000 0.135 0.000 0.907 320 Q CA -0.073 55.806 55.803 0.125 0.000 0.954 320 Q CB -0.271 28.503 28.738 0.059 0.000 1.102 320 Q HN 0.673 nan 8.270 nan 0.000 0.429 321 N N -0.712 118.067 118.700 0.131 0.000 2.230 321 N HA -0.060 3.445 4.740 -2.058 0.000 0.202 321 N C -0.886 174.728 175.510 0.173 0.000 1.119 321 N CA -0.034 53.083 53.050 0.111 0.000 0.851 321 N CB 0.261 38.790 38.487 0.070 0.000 0.990 321 N HN 0.186 nan 8.380 nan 0.000 0.497 322 Y N 1.036 121.362 120.300 0.043 0.000 2.330 322 Y HA 0.476 3.791 4.550 -2.058 0.000 0.324 322 Y C -1.148 174.789 175.900 0.062 0.000 1.093 322 Y CA -0.951 57.173 58.100 0.041 0.000 1.103 322 Y CB 1.340 39.816 38.460 0.026 0.000 1.183 322 Y HN 0.144 nan 8.280 nan 0.000 0.433 323 S N 3.875 119.448 115.700 -0.212 0.000 2.568 323 S HA 0.892 4.127 4.470 -2.058 0.000 0.293 323 S C -1.717 172.762 174.600 -0.203 0.000 1.089 323 S CA -0.832 57.316 58.200 -0.087 0.000 0.945 323 S CB 2.044 65.233 63.200 -0.018 0.000 1.077 323 S HN 0.374 nan 8.310 nan 0.000 0.485 324 V N 3.204 123.105 119.914 -0.022 0.000 2.444 324 V HA 0.449 3.335 4.120 -2.058 0.000 0.294 324 V C -0.308 175.815 176.094 0.049 0.000 1.022 324 V CA -0.628 61.668 62.300 -0.007 0.000 0.850 324 V CB 1.664 33.514 31.823 0.045 0.000 0.992 324 V HN 1.033 nan 8.190 nan 0.000 0.426 325 M N 4.348 123.944 119.600 -0.007 0.000 2.105 325 M HA 0.371 3.616 4.480 -2.058 0.000 0.350 325 M C -0.721 175.586 176.300 0.010 0.000 1.308 325 M CA -0.228 55.044 55.300 -0.047 0.000 1.108 325 M CB 0.469 32.977 32.600 -0.152 0.000 1.622 325 M HN 0.585 nan 8.290 nan 0.000 0.468 326 D N 5.302 125.709 120.400 0.011 0.000 2.264 326 D HA 0.453 3.858 4.640 -2.058 0.000 0.249 326 D C -0.798 175.465 176.300 -0.062 0.000 1.070 326 D CA 0.118 54.119 54.000 0.002 0.000 0.912 326 D CB 1.353 42.176 40.800 0.037 0.000 1.193 326 D HN 0.593 nan 8.370 nan 0.000 0.427 327 I N 2.169 122.727 120.570 -0.020 0.000 2.439 327 I HA 0.218 3.153 4.170 -2.058 0.000 0.283 327 I C -0.734 175.373 176.117 -0.017 0.000 1.023 327 I CA -0.507 60.770 61.300 -0.039 0.000 1.100 327 I CB 1.278 39.305 38.000 0.046 0.000 1.238 327 I HN 0.174 nan 8.210 nan 0.000 0.445 328 c N 3.935 122.511 118.600 -0.041 0.000 2.298 328 c HA 0.506 3.842 4.570 -2.058 0.000 0.323 328 c C -0.183 174.047 174.090 0.233 0.000 1.284 328 c CA -0.808 55.566 56.329 0.076 0.000 1.577 328 c CB 0.456 42.995 42.510 0.047 0.000 2.249 328 c HN 0.577 nan 8.230 nan 0.000 0.497 329 D N 0.604 121.112 120.400 0.181 0.000 2.193 329 D HA 0.292 3.697 4.640 -2.058 0.000 0.249 329 D C -0.578 175.669 176.300 -0.088 0.000 1.034 329 D CA -0.143 53.924 54.000 0.111 0.000 0.902 329 D CB 0.737 41.556 40.800 0.031 0.000 1.182 329 D HN 0.601 nan 8.370 nan 0.000 0.436 330 Y N 1.611 121.551 120.300 -0.600 0.000 2.365 330 Y HA 0.145 3.460 4.550 -2.058 0.000 0.340 330 Y C -0.103 175.494 175.900 -0.505 0.000 1.016 330 Y CA -0.287 57.123 58.100 -1.149 0.000 1.196 330 Y CB 0.643 38.225 38.460 -1.462 0.000 1.167 330 Y HN 0.200 nan 8.280 nan 0.000 0.509 331 D N 6.088 125.928 120.400 -0.933 0.000 2.316 331 D HA 0.030 3.436 4.640 -2.058 0.000 0.245 331 D C 0.612 176.351 176.300 -0.936 0.000 1.171 331 D CA 0.177 53.778 54.000 -0.665 0.000 0.856 331 D CB 1.011 41.564 40.800 -0.413 0.000 1.090 331 D HN 0.874 nan 8.370 nan 0.000 0.476 332 E N 1.409 121.278 120.200 -0.551 0.000 2.038 332 E HA -0.210 2.905 4.350 -2.058 0.000 0.195 332 E C 1.903 178.371 176.600 -0.219 0.000 1.000 332 E CA 1.556 57.772 56.400 -0.308 0.000 0.803 332 E CB 0.194 29.858 29.700 -0.060 0.000 0.750 332 E HN 0.551 nan 8.360 nan 0.000 0.448 333 S N -0.028 115.567 115.700 -0.174 0.000 2.402 333 S HA -0.080 3.155 4.470 -2.058 0.000 0.229 333 S C 2.166 176.699 174.600 -0.111 0.000 1.021 333 S CA 1.303 59.440 58.200 -0.104 0.000 0.974 333 S CB -0.013 63.140 63.200 -0.078 0.000 0.800 333 S HN 0.001 nan 8.310 nan 0.000 0.484 334 S N 0.881 116.473 115.700 -0.179 0.000 2.377 334 S HA 0.361 3.596 4.470 -2.058 0.000 0.223 334 S C 1.673 176.204 174.600 -0.115 0.000 1.030 334 S CA 0.749 58.865 58.200 -0.141 0.000 0.970 334 S CB -0.761 62.339 63.200 -0.168 0.000 0.830 334 S HN 1.179 nan 8.310 nan 0.000 0.473 335 G N 1.760 110.416 108.800 -0.240 0.000 2.136 335 G HA2 -0.232 2.493 3.960 -2.058 0.000 0.242 335 G HA3 -0.232 2.493 3.960 -2.058 0.000 0.242 335 G C 0.052 174.961 174.900 0.015 0.000 0.989 335 G CA 0.056 45.138 45.100 -0.031 0.000 0.682 335 G HN 0.435 nan 8.290 nan 0.000 0.522 336 R N -1.832 118.527 120.500 -0.236 0.000 2.943 336 R HA 0.724 3.830 4.340 -2.058 0.000 0.246 336 R C -0.945 175.184 176.300 -0.284 0.000 1.201 336 R CA -0.897 55.161 56.100 -0.070 0.000 1.056 336 R CB 0.988 31.284 30.300 -0.007 0.000 1.243 336 R HN 0.131 nan 8.270 nan 0.000 0.498 337 W N 0.471 121.765 121.300 -0.010 0.000 2.702 337 W HA 0.421 3.846 4.660 -2.058 0.000 0.331 337 W C -0.478 176.014 176.519 -0.046 0.000 1.049 337 W CA -0.505 56.828 57.345 -0.020 0.000 1.230 337 W CB 1.422 30.872 29.460 -0.017 0.000 1.408 337 W HN 0.251 nan 8.180 nan 0.000 0.492 338 N N 2.676 121.462 118.700 0.144 0.000 2.461 338 N HA 0.312 3.817 4.740 -2.058 0.000 0.284 338 N C -1.644 173.900 175.510 0.056 0.000 1.049 338 N CA -0.488 52.596 53.050 0.056 0.000 0.889 338 N CB 1.507 39.986 38.487 -0.013 0.000 1.365 338 N HN 0.223 nan 8.380 nan 0.000 0.499 339 c N 3.165 121.786 118.600 0.034 0.000 2.176 339 c HA 0.383 3.719 4.570 -2.058 0.000 0.329 339 c C 1.065 175.154 174.090 -0.002 0.000 1.113 339 c CA -1.021 55.316 56.329 0.014 0.000 1.562 339 c CB -1.501 41.007 42.510 -0.004 0.000 2.040 339 c HN 0.539 nan 8.230 nan 0.000 0.460 340 L N 2.811 124.036 121.223 0.004 0.000 2.455 340 L HA 0.072 3.177 4.340 -2.058 0.000 0.272 340 L C 1.402 178.264 176.870 -0.013 0.000 1.174 340 L CA 0.009 54.846 54.840 -0.005 0.000 0.869 340 L CB 0.468 42.528 42.059 0.002 0.000 1.130 340 L HN 0.541 nan 8.230 nan 0.000 0.474 341 V N 2.676 122.575 119.914 -0.026 0.000 2.913 341 V HA -0.218 2.668 4.120 -2.058 0.000 0.260 341 V C 2.153 178.220 176.094 -0.045 0.000 1.098 341 V CA 1.696 63.974 62.300 -0.036 0.000 1.121 341 V CB -0.708 31.091 31.823 -0.040 0.000 0.714 341 V HN 0.993 nan 8.190 nan 0.000 0.487 342 A N -0.103 122.694 122.820 -0.038 0.000 2.206 342 A HA -0.006 3.079 4.320 -2.058 0.000 0.211 342 A C 2.158 179.704 177.584 -0.063 0.000 1.158 342 A CA 0.677 52.684 52.037 -0.049 0.000 0.761 342 A CB -0.235 18.747 19.000 -0.030 0.000 0.801 342 A HN 0.512 nan 8.150 nan 0.000 0.473 343 R N -0.530 119.951 120.500 -0.032 0.000 2.437 343 R HA 0.149 3.255 4.340 -2.058 0.000 0.257 343 R C -0.209 176.105 176.300 0.023 0.000 0.927 343 R CA -0.170 55.944 56.100 0.023 0.000 1.078 343 R CB 0.306 30.667 30.300 0.102 0.000 1.161 343 R HN 0.562 nan 8.270 nan 0.000 0.529 344 Q N 0.989 120.755 119.800 -0.056 0.000 2.311 344 Q HA 0.039 3.145 4.340 -2.058 0.000 0.272 344 Q C -0.867 175.034 176.000 -0.164 0.000 1.012 344 Q CA 0.693 56.473 55.803 -0.039 0.000 0.891 344 Q CB 0.640 29.352 28.738 -0.043 0.000 1.201 344 Q HN 0.173 nan 8.270 nan 0.000 0.391 345 H N 1.491 120.554 119.070 -0.013 0.000 2.489 345 H HA 0.439 3.760 4.556 -2.058 0.000 0.343 345 H C -0.707 174.583 175.328 -0.064 0.000 1.086 345 H CA -0.482 55.561 56.048 -0.008 0.000 1.198 345 H CB 1.102 30.867 29.762 0.006 0.000 1.490 345 H HN 0.455 nan 8.280 nan 0.000 0.504 346 I N 2.135 122.714 120.570 0.015 0.000 2.354 346 I HA 0.223 3.158 4.170 -2.058 0.000 0.292 346 I C -0.067 175.982 176.117 -0.113 0.000 0.989 346 I CA -0.266 60.954 61.300 -0.134 0.000 1.188 346 I CB 1.276 39.178 38.000 -0.163 0.000 1.342 346 I HN 0.518 nan 8.210 nan 0.000 0.457 347 E N 8.308 128.390 120.200 -0.196 0.000 2.199 347 E HA 0.633 3.748 4.350 -2.058 0.000 0.265 347 E C -1.223 175.257 176.600 -0.199 0.000 0.882 347 E CA -0.720 55.606 56.400 -0.123 0.000 0.759 347 E CB 1.741 31.406 29.700 -0.057 0.000 1.148 347 E HN 0.605 nan 8.360 nan 0.000 0.412 348 M N 0.874 120.408 119.600 -0.110 0.000 2.618 348 M HA 0.594 3.839 4.480 -2.058 0.000 0.281 348 M C -1.196 175.100 176.300 -0.007 0.000 1.267 348 M CA -0.920 54.348 55.300 -0.053 0.000 0.845 348 M CB 2.318 34.927 32.600 0.015 0.000 1.732 348 M HN 0.240 nan 8.290 nan 0.000 0.461 349 S N -0.526 115.174 115.700 -0.000 0.000 2.538 349 S HA 0.582 3.818 4.470 -2.058 0.000 0.288 349 S C 0.250 174.827 174.600 -0.037 0.000 1.108 349 S CA -0.207 57.969 58.200 -0.039 0.000 0.971 349 S CB 1.804 64.932 63.200 -0.121 0.000 1.041 349 S HN 0.850 nan 8.310 nan 0.000 0.483 350 T N 0.882 115.415 114.554 -0.036 0.000 3.057 350 T HA 0.032 3.147 4.350 -2.058 0.000 0.254 350 T C 1.649 176.309 174.700 -0.066 0.000 1.094 350 T CA 0.994 63.075 62.100 -0.032 0.000 1.088 350 T CB -0.380 68.480 68.868 -0.013 0.000 0.934 350 T HN 0.735 nan 8.240 nan 0.000 0.497 351 T N -1.638 112.850 114.554 -0.110 0.000 3.014 351 T HA 0.584 3.699 4.350 -2.058 0.000 0.250 351 T C 1.079 175.534 174.700 -0.408 0.000 1.060 351 T CA 0.342 62.361 62.100 -0.134 0.000 1.040 351 T CB 0.442 69.317 68.868 0.011 0.000 0.971 351 T HN 0.542 nan 8.240 nan 0.000 0.497 352 G N 0.390 108.777 108.800 -0.689 0.000 2.635 352 G HA2 0.475 3.200 3.960 -2.058 0.000 0.194 352 G HA3 0.475 3.200 3.960 -2.058 0.000 0.194 352 G C -1.672 172.938 174.900 -0.483 0.000 1.198 352 G CA -0.600 43.917 45.100 -0.973 0.000 0.972 352 G HN 0.482 nan 8.290 nan 0.000 0.520 353 W N -0.336 120.713 121.300 -0.418 0.000 2.260 353 W HA 0.764 4.188 4.660 -2.060 0.000 0.366 353 W C -0.059 176.409 176.519 -0.085 0.000 1.315 353 W CA -1.299 55.929 57.345 -0.195 0.000 1.458 353 W CB 0.828 30.157 29.460 -0.218 0.000 1.255 353 W HN 0.458 nan 8.180 nan 0.000 0.671 354 V N 3.118 123.101 119.914 0.115 0.000 2.407 354 V HA 0.732 3.617 4.120 -2.058 0.000 0.278 354 V C 0.471 176.634 176.094 0.115 0.000 1.037 354 V CA 0.535 62.860 62.300 0.043 0.000 0.900 354 V CB 0.159 32.002 31.823 0.034 0.000 0.983 354 V HN 1.662 nan 8.190 nan 0.000 0.459 355 G N 6.292 115.113 108.800 0.035 0.000 2.828 355 G HA2 -0.214 2.511 3.960 -2.058 0.000 0.463 355 G HA3 -0.214 2.511 3.960 -2.058 0.000 0.463 355 G C 0.268 175.244 174.900 0.127 0.000 1.394 355 G CA 0.310 45.456 45.100 0.078 0.000 0.862 355 G HN 0.898 nan 8.290 nan 0.000 0.540 356 R N -0.891 119.687 120.500 0.130 0.000 2.057 356 R HA 0.142 3.247 4.340 -2.058 0.000 0.229 356 R C 2.057 178.333 176.300 -0.039 0.000 1.136 356 R CA 2.208 58.352 56.100 0.075 0.000 0.952 356 R CB -0.104 30.262 30.300 0.110 0.000 0.848 356 R HN 0.481 nan 8.270 nan 0.000 0.430 357 F N -0.904 119.183 119.950 0.228 0.000 2.789 357 F HA 0.261 3.553 4.527 -2.059 0.000 0.320 357 F C 0.468 176.290 175.800 0.037 0.000 1.079 357 F CA -0.529 57.549 58.000 0.130 0.000 1.205 357 F CB 0.741 39.817 39.000 0.126 0.000 1.046 357 F HN -0.108 nan 8.300 nan 0.000 0.586 358 R N -0.821 119.812 120.500 0.223 0.000 2.716 358 R HA 0.475 3.580 4.340 -2.058 0.000 0.271 358 R C -3.306 173.051 176.300 0.095 0.000 1.028 358 R CA -2.046 54.109 56.100 0.092 0.000 0.883 358 R CB 0.295 30.591 30.300 -0.005 0.000 1.250 358 R HN -0.366 nan 8.270 nan 0.000 0.465 359 P HA -0.008 nan 4.420 nan 0.000 0.262 359 P C -0.296 177.022 177.300 0.030 0.000 1.182 359 P CA 0.260 63.376 63.100 0.027 0.000 0.761 359 P CB 0.836 32.526 31.700 -0.016 0.000 0.795 360 S N 1.961 117.692 115.700 0.051 0.000 2.580 360 S HA 0.045 3.280 4.470 -2.058 0.000 0.266 360 S C 0.333 174.954 174.600 0.035 0.000 1.354 360 S CA -0.489 57.757 58.200 0.077 0.000 1.008 360 S CB 0.047 63.309 63.200 0.104 0.000 0.898 360 S HN 0.478 nan 8.310 nan 0.000 0.555 361 E N 3.174 123.420 120.200 0.077 0.000 2.301 361 E HA 0.375 3.490 4.350 -2.058 0.000 0.275 361 E C -2.810 173.805 176.600 0.025 0.000 1.030 361 E CA -2.175 54.237 56.400 0.020 0.000 0.852 361 E CB 0.587 30.316 29.700 0.048 0.000 1.060 361 E HN 0.247 nan 8.360 nan 0.000 0.401 362 P HA 0.231 nan 4.420 nan 0.000 0.281 362 P C -0.737 176.461 177.300 -0.170 0.000 1.249 362 P CA -0.266 62.696 63.100 -0.231 0.000 0.810 362 P CB 0.716 31.897 31.700 -0.865 0.000 1.008 363 H N 1.925 120.971 119.070 -0.040 0.000 2.762 363 H HA 0.290 3.611 4.556 -2.058 0.000 0.310 363 H C -0.356 175.064 175.328 0.153 0.000 1.004 363 H CA -0.352 55.772 56.048 0.125 0.000 1.267 363 H CB 0.339 30.215 29.762 0.189 0.000 1.437 363 H HN 0.312 nan 8.280 nan 0.000 0.498 364 F N 1.865 121.995 119.950 0.299 0.000 2.399 364 F HA 0.048 3.341 4.527 -2.058 0.000 0.342 364 F C 1.616 177.603 175.800 0.311 0.000 1.106 364 F CA -0.486 57.696 58.000 0.304 0.000 1.196 364 F CB 0.996 40.112 39.000 0.192 0.000 1.163 364 F HN 0.389 nan 8.300 nan 0.000 0.547 365 T N 1.303 116.154 114.554 0.496 0.000 2.802 365 T HA 0.028 3.143 4.350 -2.058 0.000 0.305 365 T C 1.336 176.230 174.700 0.324 0.000 1.053 365 T CA -0.842 61.486 62.100 0.380 0.000 1.058 365 T CB 0.690 69.763 68.868 0.342 0.000 0.988 365 T HN 0.624 nan 8.240 nan 0.000 0.539 366 L N 1.200 122.567 121.223 0.241 0.000 2.043 366 L HA -0.131 2.974 4.340 -2.058 0.000 0.212 366 L C 2.248 179.226 176.870 0.179 0.000 1.075 366 L CA 2.830 57.786 54.840 0.194 0.000 0.752 366 L CB -1.273 40.877 42.059 0.151 0.000 0.891 366 L HN 0.982 nan 8.230 nan 0.000 0.432 367 D N -1.166 119.340 120.400 0.176 0.000 2.348 367 D HA -0.047 3.358 4.640 -2.058 0.000 0.216 367 D C 1.518 177.919 176.300 0.170 0.000 0.970 367 D CA 0.946 55.039 54.000 0.155 0.000 0.889 367 D CB -0.491 40.391 40.800 0.136 0.000 0.912 367 D HN 0.426 nan 8.370 nan 0.000 0.524 368 G N 0.489 109.425 108.800 0.228 0.000 2.155 368 G HA2 -0.351 2.374 3.960 -2.058 0.000 0.257 368 G HA3 -0.351 2.374 3.960 -2.058 0.000 0.257 368 G C 0.888 175.966 174.900 0.297 0.000 0.983 368 G CA 0.420 45.665 45.100 0.241 0.000 0.676 368 G HN 0.379 nan 8.290 nan 0.000 0.528 369 N N 0.160 119.023 118.700 0.271 0.000 2.353 369 N HA 0.199 3.704 4.740 -2.058 0.000 0.185 369 N C 1.021 176.673 175.510 0.238 0.000 1.098 369 N CA 1.124 54.310 53.050 0.226 0.000 0.872 369 N CB 0.416 38.996 38.487 0.155 0.000 0.970 369 N HN 0.921 nan 8.380 nan 0.000 0.467 370 S N -0.627 115.257 115.700 0.308 0.000 2.656 370 S HA 0.776 4.011 4.470 -2.058 0.000 0.273 370 S C -1.029 173.723 174.600 0.254 0.000 1.168 370 S CA -1.003 57.292 58.200 0.158 0.000 0.817 370 S CB 1.784 64.969 63.200 -0.025 0.000 1.146 370 S HN 0.114 nan 8.310 nan 0.000 0.475 371 F N -2.159 117.672 119.950 -0.198 0.000 2.693 371 F HA 0.798 4.090 4.527 -2.058 0.000 0.309 371 F C -2.288 173.345 175.800 -0.278 0.000 1.129 371 F CA -1.486 56.302 58.000 -0.354 0.000 0.948 371 F CB 0.588 38.945 39.000 -1.072 0.000 1.315 371 F HN 0.618 nan 8.300 nan 0.000 0.447 372 Y N 1.277 121.699 120.300 0.203 0.000 2.377 372 Y HA 0.696 4.012 4.550 -2.058 0.000 0.339 372 Y C -0.204 175.831 175.900 0.226 0.000 1.011 372 Y CA -0.819 57.396 58.100 0.191 0.000 1.093 372 Y CB 2.224 40.752 38.460 0.112 0.000 1.201 372 Y HN 0.678 nan 8.280 nan 0.000 0.455 373 K N 3.048 123.666 120.400 0.363 0.000 2.523 373 K HA 0.517 3.602 4.320 -2.058 0.000 0.257 373 K C -1.537 175.200 176.600 0.229 0.000 0.932 373 K CA -0.641 55.806 56.287 0.266 0.000 0.812 373 K CB 1.675 34.266 32.500 0.152 0.000 1.326 373 K HN 0.683 nan 8.250 nan 0.000 0.433 374 I N 6.284 126.954 120.570 0.168 0.000 2.452 374 I HA 0.194 3.129 4.170 -2.058 0.000 0.287 374 I C 0.268 176.474 176.117 0.148 0.000 1.079 374 I CA -0.156 61.227 61.300 0.138 0.000 1.387 374 I CB 0.050 38.113 38.000 0.105 0.000 1.404 374 I HN 0.453 nan 8.210 nan 0.000 0.522 375 I N 2.548 123.235 120.570 0.195 0.000 2.969 375 I HA 0.573 3.508 4.170 -2.058 0.000 0.307 375 I C -0.018 176.228 176.117 0.216 0.000 1.149 375 I CA -0.831 60.584 61.300 0.191 0.000 1.008 375 I CB 2.220 40.359 38.000 0.231 0.000 1.232 375 I HN 0.465 nan 8.210 nan 0.000 0.435 376 S N 2.164 117.929 115.700 0.108 0.000 2.565 376 S HA 0.370 3.606 4.470 -2.058 0.000 0.276 376 S C -0.167 174.479 174.600 0.077 0.000 1.326 376 S CA -0.728 57.485 58.200 0.021 0.000 1.045 376 S CB 0.618 63.752 63.200 -0.109 0.000 0.918 376 S HN 0.835 nan 8.310 nan 0.000 0.505 377 N N 0.895 119.521 118.700 -0.122 0.000 2.495 377 N HA 0.130 3.636 4.740 -2.058 0.000 0.294 377 N C 1.132 176.535 175.510 -0.179 0.000 1.276 377 N CA -0.561 52.268 53.050 -0.368 0.000 0.973 377 N CB -0.013 37.887 38.487 -0.978 0.000 1.143 377 N HN 0.702 nan 8.380 nan 0.000 0.589 378 E N -0.329 119.758 120.200 -0.188 0.000 2.219 378 E HA -0.251 2.864 4.350 -2.058 0.000 0.198 378 E C 0.297 176.842 176.600 -0.091 0.000 0.998 378 E CA 1.519 57.857 56.400 -0.102 0.000 0.818 378 E CB -0.490 29.155 29.700 -0.092 0.000 0.741 378 E HN 0.788 nan 8.360 nan 0.000 0.477 379 E N 0.038 120.183 120.200 -0.091 0.000 2.479 379 E HA 0.144 3.259 4.350 -2.058 0.000 0.193 379 E C 0.844 177.393 176.600 -0.084 0.000 1.049 379 E CA 0.455 56.846 56.400 -0.014 0.000 0.870 379 E CB 0.455 30.213 29.700 0.098 0.000 0.944 379 E HN 0.525 nan 8.360 nan 0.000 0.492 380 G N 1.247 109.949 108.800 -0.162 0.000 2.175 380 G HA2 -0.276 2.449 3.960 -2.058 0.000 0.244 380 G HA3 -0.276 2.449 3.960 -2.058 0.000 0.244 380 G C -0.204 174.429 174.900 -0.445 0.000 0.982 380 G CA -0.081 44.828 45.100 -0.318 0.000 0.641 380 G HN 0.225 nan 8.290 nan 0.000 0.527 381 Y N 0.627 120.795 120.300 -0.221 0.000 2.308 381 Y HA 0.624 3.939 4.550 -2.059 0.000 0.329 381 Y C 1.260 176.987 175.900 -0.288 0.000 1.111 381 Y CA -0.737 57.209 58.100 -0.257 0.000 1.179 381 Y CB 0.848 39.165 38.460 -0.238 0.000 1.201 381 Y HN 0.065 nan 8.280 nan 0.000 0.483 382 R N 3.802 124.160 120.500 -0.237 0.000 2.248 382 R HA 0.257 3.362 4.340 -2.058 0.000 0.328 382 R C -0.754 175.259 176.300 -0.479 0.000 1.067 382 R CA -0.049 55.918 56.100 -0.221 0.000 0.924 382 R CB 0.102 30.322 30.300 -0.134 0.000 1.013 382 R HN 0.669 nan 8.270 nan 0.000 0.454 383 H N 1.761 120.820 119.070 -0.017 0.000 2.949 383 H HA 0.306 3.627 4.556 -2.058 0.000 0.356 383 H C -0.233 175.156 175.328 0.101 0.000 1.212 383 H CA -0.985 55.031 56.048 -0.053 0.000 1.136 383 H CB 1.591 31.236 29.762 -0.195 0.000 1.869 383 H HN 0.325 nan 8.280 nan 0.000 0.556 384 I N 1.458 122.101 120.570 0.121 0.000 2.436 384 I HA 0.003 2.938 4.170 -2.058 0.000 0.289 384 I C 0.476 176.615 176.117 0.036 0.000 1.083 384 I CA 0.244 61.577 61.300 0.054 0.000 1.372 384 I CB 0.058 37.999 38.000 -0.099 0.000 1.408 384 I HN 0.145 nan 8.210 nan 0.000 0.516 385 c N 7.094 125.656 118.600 -0.064 0.000 2.341 385 c HA 0.345 3.680 4.570 -2.058 0.000 0.338 385 c C -0.224 173.697 174.090 -0.282 0.000 1.257 385 c CA -0.578 55.455 56.329 -0.494 0.000 1.883 385 c CB 0.439 42.329 42.510 -1.032 0.000 2.334 385 c HN 0.705 nan 8.230 nan 0.000 0.524 386 Y N 4.763 124.690 120.300 -0.623 0.000 2.353 386 Y HA 0.609 3.924 4.550 -2.058 0.000 0.340 386 Y C -1.005 174.419 175.900 -0.794 0.000 0.972 386 Y CA -0.640 57.067 58.100 -0.655 0.000 1.157 386 Y CB 0.367 38.545 38.460 -0.470 0.000 1.157 386 Y HN 0.668 nan 8.280 nan 0.000 0.495 387 F N 4.361 123.542 119.950 -1.281 0.000 2.458 387 F HA 0.365 3.657 4.527 -2.058 0.000 0.336 387 F C -0.035 175.029 175.800 -1.227 0.000 1.114 387 F CA -1.036 56.204 58.000 -1.267 0.000 0.987 387 F CB 1.688 39.660 39.000 -1.714 0.000 1.130 387 F HN 0.451 nan 8.300 nan 0.000 0.458 388 Q N 1.636 121.061 119.800 -0.626 0.000 2.299 388 Q HA 0.248 3.353 4.340 -2.058 0.000 0.246 388 Q C 0.959 176.948 176.000 -0.017 0.000 0.935 388 Q CA -0.034 55.581 55.803 -0.312 0.000 0.887 388 Q CB 1.333 29.943 28.738 -0.214 0.000 1.223 388 Q HN 0.731 nan 8.270 nan 0.000 0.439 389 I N 1.345 121.990 120.570 0.125 0.000 2.614 389 I HA -0.204 2.731 4.170 -2.058 0.000 0.258 389 I C 0.444 176.757 176.117 0.327 0.000 1.189 389 I CA 1.438 62.943 61.300 0.341 0.000 1.462 389 I CB 0.246 38.433 38.000 0.311 0.000 1.092 389 I HN 0.652 nan 8.210 nan 0.000 0.442 390 D N 0.071 120.566 120.400 0.158 0.000 2.395 390 D HA 0.137 3.542 4.640 -2.058 0.000 0.213 390 D C 0.175 176.489 176.300 0.022 0.000 1.110 390 D CA 0.253 54.297 54.000 0.073 0.000 0.835 390 D CB 0.364 41.189 40.800 0.042 0.000 0.965 390 D HN 0.240 nan 8.370 nan 0.000 0.505 391 K N 0.639 121.074 120.400 0.057 0.000 2.324 391 K HA 0.223 3.308 4.320 -2.058 0.000 0.253 391 K C 0.952 177.568 176.600 0.028 0.000 0.932 391 K CA -0.634 55.654 56.287 0.002 0.000 0.799 391 K CB 3.010 35.482 32.500 -0.046 0.000 1.154 391 K HN -0.312 nan 8.250 nan 0.000 0.425 392 K N 1.756 122.134 120.400 -0.038 0.000 1.973 392 K HA -0.089 2.997 4.320 -2.058 0.000 0.212 392 K C -0.395 176.210 176.600 0.008 0.000 1.047 392 K CA 1.464 57.737 56.287 -0.023 0.000 0.937 392 K CB 0.113 32.588 32.500 -0.043 0.000 0.721 392 K HN 0.648 nan 8.250 nan 0.000 0.440 393 D N 1.944 122.303 120.400 -0.068 0.000 2.348 393 D HA 0.045 3.451 4.640 -2.058 0.000 0.253 393 D C 0.323 176.442 176.300 -0.301 0.000 1.161 393 D CA -0.039 53.873 54.000 -0.146 0.000 0.876 393 D CB 0.783 41.513 40.800 -0.117 0.000 1.160 393 D HN 0.336 nan 8.370 nan 0.000 0.459 394 c N 0.991 119.261 118.600 -0.550 0.000 2.325 394 c HA 0.766 4.101 4.570 -2.058 0.000 0.370 394 c C 0.654 174.352 174.090 -0.653 0.000 1.217 394 c CA -0.802 54.973 56.329 -0.923 0.000 2.254 394 c CB 1.112 42.383 42.510 -2.065 0.000 2.282 394 c HN 0.626 nan 8.230 nan 0.000 0.564 395 T N 0.214 114.429 114.554 -0.564 0.000 2.794 395 T HA 0.573 3.688 4.350 -2.058 0.000 0.280 395 T C -0.888 173.589 174.700 -0.371 0.000 0.987 395 T CA -0.301 61.613 62.100 -0.311 0.000 0.993 395 T CB 0.164 68.997 68.868 -0.058 0.000 0.939 395 T HN 0.506 nan 8.240 nan 0.000 0.449 396 F N 4.856 124.679 119.950 -0.211 0.000 2.467 396 F HA 0.297 3.589 4.527 -2.057 0.000 0.362 396 F C 1.584 177.205 175.800 -0.297 0.000 1.090 396 F CA -0.818 57.041 58.000 -0.234 0.000 1.202 396 F CB 0.651 39.518 39.000 -0.221 0.000 1.113 396 F HN 0.658 nan 8.300 nan 0.000 0.541 397 I N -0.518 119.896 120.570 -0.260 0.000 3.645 397 I HA 0.164 3.099 4.170 -2.058 0.000 0.300 397 I C 0.484 176.390 176.117 -0.352 0.000 1.260 397 I CA 0.248 61.136 61.300 -0.686 0.000 1.365 397 I CB 0.027 37.364 38.000 -1.105 0.000 1.077 397 I HN 0.496 nan 8.210 nan 0.000 0.439 398 T N 0.431 114.856 114.554 -0.215 0.000 2.924 398 T HA 0.701 3.816 4.350 -2.058 0.000 0.291 398 T C -0.619 173.709 174.700 -0.621 0.000 1.045 398 T CA -0.715 61.249 62.100 -0.227 0.000 1.015 398 T CB 2.516 71.331 68.868 -0.089 0.000 1.103 398 T HN 0.503 nan 8.240 nan 0.000 0.496 399 K N -0.315 119.537 120.400 -0.913 0.000 2.607 399 K HA 0.738 3.823 4.320 -2.058 0.000 0.287 399 K C -0.586 175.373 176.600 -1.068 0.000 0.996 399 K CA -0.968 54.468 56.287 -1.419 0.000 0.876 399 K CB 1.331 33.399 32.500 -0.720 0.000 1.496 399 K HN 1.572 nan 8.250 nan 0.000 0.415 400 G N -0.065 108.136 108.800 -0.997 0.000 2.339 400 G HA2 0.082 2.807 3.960 -2.058 0.000 0.381 400 G HA3 0.082 2.807 3.960 -2.058 0.000 0.381 400 G C -0.578 173.777 174.900 -0.908 0.000 1.400 400 G CA -0.328 44.366 45.100 -0.678 0.000 1.002 400 G HN 0.983 nan 8.290 nan 0.000 0.633 401 T N -0.478 113.701 114.554 -0.625 0.000 4.099 401 T HA 0.521 3.637 4.350 -2.058 0.000 0.223 401 T C 0.341 174.827 174.700 -0.356 0.000 0.968 401 T CA 0.626 62.167 62.100 -0.933 0.000 0.966 401 T CB -0.956 67.633 68.868 -0.465 0.000 1.328 401 T HN 1.362 nan 8.240 nan 0.000 0.783 402 W N -0.467 120.639 121.300 -0.324 0.000 2.940 402 W HA 0.691 4.115 4.660 -2.059 0.000 0.394 402 W C -1.280 175.220 176.519 -0.032 0.000 1.155 402 W CA -1.026 56.282 57.345 -0.062 0.000 1.165 402 W CB 0.722 30.148 29.460 -0.056 0.000 1.492 402 W HN 0.091 nan 8.180 nan 0.000 0.593 403 E N 0.822 121.177 120.200 0.259 0.000 2.317 403 E HA 0.416 3.531 4.350 -2.058 0.000 0.270 403 E C -1.178 175.528 176.600 0.177 0.000 0.885 403 E CA -1.105 55.263 56.400 -0.053 0.000 0.760 403 E CB 3.460 33.189 29.700 0.048 0.000 1.227 403 E HN 0.151 nan 8.360 nan 0.000 0.434 404 V N 4.178 124.062 119.914 -0.050 0.000 2.455 404 V HA 0.006 2.891 4.120 -2.058 0.000 0.273 404 V C 1.294 177.482 176.094 0.157 0.000 1.045 404 V CA -0.030 62.359 62.300 0.148 0.000 0.976 404 V CB 0.457 32.273 31.823 -0.012 0.000 0.993 404 V HN 0.678 nan 8.190 nan 0.000 0.475 405 I N 3.381 124.079 120.570 0.214 0.000 2.277 405 I HA 0.220 3.155 4.170 -2.058 0.000 0.243 405 I C 1.162 177.402 176.117 0.204 0.000 1.094 405 I CA 1.198 62.619 61.300 0.201 0.000 1.393 405 I CB -0.884 37.179 38.000 0.105 0.000 1.078 405 I HN 0.735 nan 8.210 nan 0.000 0.417 406 G N 0.712 109.632 108.800 0.201 0.000 2.732 406 G HA2 0.563 3.288 3.960 -2.058 0.000 0.296 406 G HA3 0.563 3.288 3.960 -2.058 0.000 0.296 406 G C -1.119 173.881 174.900 0.167 0.000 1.448 406 G CA -0.538 44.674 45.100 0.187 0.000 0.911 406 G HN -0.014 nan 8.290 nan 0.000 0.528 407 I N 1.882 122.489 120.570 0.061 0.000 2.396 407 I HA 0.207 3.142 4.170 -2.058 0.000 0.289 407 I C 0.708 176.764 176.117 -0.102 0.000 1.056 407 I CA -0.471 60.760 61.300 -0.115 0.000 1.365 407 I CB 1.547 39.249 38.000 -0.496 0.000 1.407 407 I HN 0.485 nan 8.210 nan 0.000 0.509 408 E N 4.860 125.079 120.200 0.031 0.000 2.244 408 E HA 0.308 3.423 4.350 -2.058 0.000 0.196 408 E C 0.244 176.840 176.600 -0.006 0.000 0.939 408 E CA 0.300 56.782 56.400 0.136 0.000 0.884 408 E CB 0.659 30.541 29.700 0.303 0.000 0.850 408 E HN 0.697 nan 8.360 nan 0.000 0.481 409 A N 0.573 123.278 122.820 -0.192 0.000 2.606 409 A HA 0.630 3.715 4.320 -2.058 0.000 0.293 409 A C -1.910 175.630 177.584 -0.074 0.000 1.082 409 A CA -0.623 51.230 52.037 -0.306 0.000 0.685 409 A CB 1.410 19.713 19.000 -1.163 0.000 1.284 409 A HN 0.044 nan 8.150 nan 0.000 0.408 410 L N 1.502 122.729 121.223 0.007 0.000 2.441 410 L HA 0.739 3.845 4.340 -2.058 0.000 0.270 410 L C 0.201 177.120 176.870 0.083 0.000 0.973 410 L CA 0.420 55.289 54.840 0.048 0.000 0.842 410 L CB 1.818 43.941 42.059 0.107 0.000 1.239 410 L HN 1.142 nan 8.230 nan 0.000 0.406 411 T N -0.070 114.543 114.554 0.099 0.000 2.870 411 T HA 0.438 3.553 4.350 -2.058 0.000 0.277 411 T C 1.062 175.807 174.700 0.074 0.000 1.000 411 T CA 0.086 62.252 62.100 0.109 0.000 0.982 411 T CB 1.161 70.128 68.868 0.165 0.000 1.249 411 T HN 0.631 nan 8.240 nan 0.000 0.589 412 S N -0.760 114.981 115.700 0.069 0.000 2.481 412 S HA -0.005 3.230 4.470 -2.058 0.000 0.231 412 S C 0.659 175.237 174.600 -0.035 0.000 0.996 412 S CA 1.002 59.227 58.200 0.040 0.000 0.942 412 S CB -0.522 62.708 63.200 0.050 0.000 0.768 412 S HN 0.783 nan 8.310 nan 0.000 0.520 413 D N -1.144 119.213 120.400 -0.072 0.000 2.470 413 D HA 0.291 3.696 4.640 -2.058 0.000 0.238 413 D C -0.556 175.378 176.300 -0.610 0.000 1.054 413 D CA 0.288 54.108 54.000 -0.301 0.000 0.896 413 D CB 0.444 41.092 40.800 -0.253 0.000 1.118 413 D HN 0.388 nan 8.370 nan 0.000 0.497 414 Y N 0.127 120.355 120.300 -0.120 0.000 2.545 414 Y HA 0.527 3.842 4.550 -2.058 0.000 0.348 414 Y C -0.915 174.782 175.900 -0.338 0.000 1.002 414 Y CA -1.200 56.728 58.100 -0.285 0.000 1.039 414 Y CB 2.092 40.263 38.460 -0.482 0.000 1.271 414 Y HN -0.237 nan 8.280 nan 0.000 0.467 415 L N 2.766 123.837 121.223 -0.253 0.000 2.341 415 L HA 0.610 3.716 4.340 -2.058 0.000 0.278 415 L C -1.830 174.884 176.870 -0.260 0.000 1.005 415 L CA -0.585 54.102 54.840 -0.256 0.000 0.818 415 L CB 0.945 42.774 42.059 -0.383 0.000 1.259 415 L HN 0.617 nan 8.230 nan 0.000 0.418 416 Y N 4.731 124.975 120.300 -0.094 0.000 2.360 416 Y HA 0.561 3.876 4.550 -2.058 0.000 0.337 416 Y C -0.614 175.318 175.900 0.053 0.000 1.039 416 Y CA -0.342 57.710 58.100 -0.079 0.000 1.109 416 Y CB 1.448 39.754 38.460 -0.256 0.000 1.201 416 Y HN 0.540 nan 8.280 nan 0.000 0.458 417 Y N 0.989 121.358 120.300 0.114 0.000 2.581 417 Y HA 0.700 4.015 4.550 -2.058 0.000 0.337 417 Y C -1.836 174.150 175.900 0.144 0.000 1.108 417 Y CA -1.758 56.398 58.100 0.094 0.000 1.033 417 Y CB 0.974 39.463 38.460 0.048 0.000 1.318 417 Y HN 0.306 nan 8.280 nan 0.000 0.459 418 I N 3.750 124.457 120.570 0.229 0.000 2.385 418 I HA 0.571 3.506 4.170 -2.058 0.000 0.294 418 I C 0.111 176.393 176.117 0.275 0.000 0.988 418 I CA -0.184 61.205 61.300 0.148 0.000 1.265 418 I CB 1.381 39.433 38.000 0.087 0.000 1.388 418 I HN 0.873 nan 8.210 nan 0.000 0.480 419 S N 3.998 119.832 115.700 0.223 0.000 2.638 419 S HA 0.442 3.677 4.470 -2.058 0.000 0.274 419 S C -0.306 174.356 174.600 0.102 0.000 1.157 419 S CA -0.828 57.509 58.200 0.228 0.000 0.826 419 S CB 1.915 65.283 63.200 0.280 0.000 1.139 419 S HN 0.604 nan 8.310 nan 0.000 0.474 420 N N -0.148 118.613 118.700 0.102 0.000 2.376 420 N HA 0.146 3.652 4.740 -2.058 0.000 0.249 420 N C 0.559 176.051 175.510 -0.031 0.000 1.140 420 N CA -0.240 52.824 53.050 0.023 0.000 0.870 420 N CB 0.281 38.769 38.487 0.002 0.000 1.124 420 N HN 0.820 nan 8.380 nan 0.000 0.505 421 E N 0.159 120.197 120.200 -0.271 0.000 2.047 421 E HA -0.180 2.936 4.350 -2.058 0.000 0.191 421 E C -0.317 176.136 176.600 -0.246 0.000 0.987 421 E CA 0.167 56.160 56.400 -0.677 0.000 0.799 421 E CB -0.143 28.535 29.700 -1.704 0.000 0.752 421 E HN 0.499 nan 8.360 nan 0.000 0.449 422 Y N 1.801 122.014 120.300 -0.145 0.000 2.944 422 Y HA -0.223 3.093 4.550 -2.057 0.000 0.340 422 Y C 0.385 176.248 175.900 -0.061 0.000 1.275 422 Y CA 1.102 59.163 58.100 -0.065 0.000 1.590 422 Y CB 0.209 38.651 38.460 -0.031 0.000 1.218 422 Y HN 0.133 nan 8.280 nan 0.000 0.576 423 K N 3.271 123.337 120.400 -0.557 0.000 3.193 423 K HA -0.258 2.828 4.320 -2.058 0.000 0.294 423 K C 0.732 177.255 176.600 -0.129 0.000 1.185 423 K CA 0.773 56.824 56.287 -0.394 0.000 0.866 423 K CB -1.796 30.440 32.500 -0.440 0.000 1.227 423 K HN 1.237 nan 8.250 nan 0.000 0.467 424 G N 0.802 109.540 108.800 -0.104 0.000 2.341 424 G HA2 -0.319 2.407 3.960 -2.058 0.000 0.292 424 G HA3 -0.319 2.407 3.960 -2.058 0.000 0.292 424 G C -0.051 174.831 174.900 -0.030 0.000 1.021 424 G CA 0.879 45.966 45.100 -0.022 0.000 0.905 424 G HN 0.320 nan 8.290 nan 0.000 0.508 425 M N -0.205 119.303 119.600 -0.154 0.000 2.047 425 M HA 0.272 3.517 4.480 -2.058 0.000 0.342 425 M C -1.365 174.669 176.300 -0.443 0.000 1.058 425 M CA -2.130 52.904 55.300 -0.445 0.000 0.991 425 M CB 2.009 34.437 32.600 -0.288 0.000 1.474 425 M HN -0.138 nan 8.290 nan 0.000 0.419 426 P HA -0.088 nan 4.420 nan 0.000 0.221 426 P C 1.126 178.274 177.300 -0.253 0.000 1.145 426 P CA 1.016 63.914 63.100 -0.337 0.000 0.795 426 P CB 0.232 31.700 31.700 -0.386 0.000 0.775 427 G N -1.322 107.278 108.800 -0.334 0.000 3.189 427 G HA2 0.275 3.001 3.960 -2.058 0.000 0.225 427 G HA3 0.275 3.001 3.960 -2.058 0.000 0.225 427 G C 0.660 175.587 174.900 0.044 0.000 1.159 427 G CA 0.064 45.103 45.100 -0.101 0.000 0.763 427 G HN 0.364 nan 8.290 nan 0.000 0.549 428 G N -0.105 108.660 108.800 -0.057 0.000 2.462 428 G HA2 0.620 3.345 3.960 -2.058 0.000 0.319 428 G HA3 0.620 3.345 3.960 -2.058 0.000 0.319 428 G C -0.760 174.033 174.900 -0.179 0.000 1.171 428 G CA -0.686 44.411 45.100 -0.006 0.000 0.920 428 G HN 0.082 nan 8.290 nan 0.000 0.499 429 R N 0.449 120.798 120.500 -0.251 0.000 2.510 429 R HA 0.325 3.431 4.340 -2.058 0.000 0.287 429 R C -1.357 174.891 176.300 -0.088 0.000 1.084 429 R CA -0.778 55.135 56.100 -0.312 0.000 0.934 429 R CB 1.723 31.566 30.300 -0.763 0.000 1.201 429 R HN 0.691 nan 8.270 nan 0.000 0.431 430 N N 0.724 119.389 118.700 -0.058 0.000 2.284 430 N HA 0.440 3.945 4.740 -2.058 0.000 0.289 430 N C -1.350 174.000 175.510 -0.266 0.000 1.179 430 N CA -0.830 52.088 53.050 -0.220 0.000 0.774 430 N CB 2.093 40.332 38.487 -0.412 0.000 1.548 430 N HN 0.258 nan 8.380 nan 0.000 0.473 431 L N 2.133 123.069 121.223 -0.479 0.000 2.305 431 L HA 0.483 3.588 4.340 -2.058 0.000 0.281 431 L C -1.550 174.933 176.870 -0.644 0.000 1.085 431 L CA 0.067 54.658 54.840 -0.414 0.000 0.813 431 L CB -0.181 41.634 42.059 -0.407 0.000 1.157 431 L HN 0.516 nan 8.230 nan 0.000 0.436 432 Y N 3.462 123.392 120.300 -0.618 0.000 2.562 432 Y HA 0.591 3.906 4.550 -2.059 0.000 0.343 432 Y C -0.421 175.139 175.900 -0.566 0.000 1.025 432 Y CA -0.868 56.837 58.100 -0.659 0.000 1.082 432 Y CB 1.719 39.613 38.460 -0.944 0.000 1.264 432 Y HN 0.538 nan 8.280 nan 0.000 0.478 433 K N 2.073 122.329 120.400 -0.239 0.000 2.378 433 K HA 0.706 3.791 4.320 -2.058 0.000 0.252 433 K C -1.891 174.697 176.600 -0.020 0.000 0.931 433 K CA -0.684 55.425 56.287 -0.298 0.000 0.794 433 K CB 2.551 34.652 32.500 -0.666 0.000 1.181 433 K HN 0.768 nan 8.250 nan 0.000 0.425 434 I N 2.218 122.841 120.570 0.089 0.000 2.404 434 I HA 0.156 3.091 4.170 -2.058 0.000 0.293 434 I C -0.588 175.608 176.117 0.131 0.000 0.992 434 I CA -0.769 60.632 61.300 0.167 0.000 1.149 434 I CB 1.884 39.995 38.000 0.186 0.000 1.315 434 I HN 0.835 nan 8.210 nan 0.000 0.446 435 Q N 5.484 125.349 119.800 0.109 0.000 2.281 435 Q HA 0.085 3.190 4.340 -2.058 0.000 0.267 435 Q C 0.288 176.215 176.000 -0.122 0.000 1.053 435 Q CA -0.527 55.161 55.803 -0.190 0.000 0.905 435 Q CB 1.169 29.827 28.738 -0.133 0.000 1.195 435 Q HN 0.757 nan 8.270 nan 0.000 0.398 436 L N 3.186 124.273 121.223 -0.227 0.000 2.127 436 L HA -0.204 2.901 4.340 -2.058 0.000 0.211 436 L C 2.225 178.997 176.870 -0.163 0.000 1.089 436 L CA 2.047 56.832 54.840 -0.091 0.000 0.757 436 L CB -0.849 41.120 42.059 -0.151 0.000 0.899 436 L HN 0.756 nan 8.230 nan 0.000 0.434 437 S N -2.983 112.574 115.700 -0.238 0.000 2.548 437 S HA 0.063 3.298 4.470 -2.058 0.000 0.215 437 S C 0.507 174.913 174.600 -0.324 0.000 0.976 437 S CA -0.052 57.989 58.200 -0.264 0.000 0.908 437 S CB 0.123 63.209 63.200 -0.189 0.000 0.781 437 S HN 0.371 nan 8.310 nan 0.000 0.519 438 D N -0.144 120.077 120.400 -0.299 0.000 2.354 438 D HA 0.233 3.638 4.640 -2.058 0.000 0.230 438 D C -0.636 175.618 176.300 -0.078 0.000 1.361 438 D CA -0.506 53.350 54.000 -0.240 0.000 0.992 438 D CB 0.442 41.168 40.800 -0.124 0.000 1.409 438 D HN -0.024 nan 8.370 nan 0.000 0.573 439 Y N 0.896 121.178 120.300 -0.030 0.000 2.509 439 Y HA -0.061 3.255 4.550 -2.058 0.000 0.293 439 Y C 2.551 178.458 175.900 0.011 0.000 1.133 439 Y CA 1.253 59.346 58.100 -0.011 0.000 1.283 439 Y CB -0.738 37.716 38.460 -0.011 0.000 1.001 439 Y HN 0.412 nan 8.280 nan 0.000 0.555 440 T N -2.465 112.167 114.554 0.130 0.000 3.085 440 T HA -0.038 3.077 4.350 -2.058 0.000 0.263 440 T C 0.743 175.492 174.700 0.081 0.000 1.127 440 T CA 0.309 62.462 62.100 0.088 0.000 1.103 440 T CB -0.210 68.685 68.868 0.046 0.000 0.921 440 T HN 0.114 nan 8.240 nan 0.000 0.510 441 K N 2.292 122.743 120.400 0.084 0.000 2.229 441 K HA 0.463 3.548 4.320 -2.058 0.000 0.247 441 K C -1.138 175.535 176.600 0.121 0.000 1.117 441 K CA -0.296 56.042 56.287 0.085 0.000 1.036 441 K CB 1.004 33.544 32.500 0.066 0.000 1.654 441 K HN 0.176 nan 8.250 nan 0.000 0.405 442 V N 1.866 121.851 119.914 0.118 0.000 2.459 442 V HA 0.302 3.187 4.120 -2.058 0.000 0.295 442 V C 0.050 176.201 176.094 0.095 0.000 1.029 442 V CA -0.700 61.682 62.300 0.137 0.000 0.874 442 V CB 1.834 33.763 31.823 0.177 0.000 0.985 442 V HN 0.525 nan 8.190 nan 0.000 0.438 443 T N 2.707 117.290 114.554 0.047 0.000 2.824 443 T HA 0.283 3.398 4.350 -2.058 0.000 0.282 443 T C -0.424 174.199 174.700 -0.128 0.000 0.993 443 T CA -0.349 61.727 62.100 -0.040 0.000 0.967 443 T CB 1.416 70.225 68.868 -0.098 0.000 0.960 443 T HN 0.771 nan 8.240 nan 0.000 0.441 444 C N 4.654 123.802 119.300 -0.252 0.000 2.482 444 C HA 0.416 3.641 4.460 -2.058 0.000 0.378 444 C C 1.726 176.387 174.990 -0.550 0.000 1.284 444 C CA -0.544 58.061 59.018 -0.689 0.000 1.826 444 C CB -1.778 25.436 27.740 -0.877 0.000 2.473 444 C HN 0.992 nan 8.230 nan 0.000 0.562 445 L N 4.448 125.314 121.223 -0.595 0.000 2.307 445 L HA 0.059 3.164 4.340 -2.058 0.000 0.211 445 L C 2.311 178.857 176.870 -0.540 0.000 1.099 445 L CA 1.080 55.648 54.840 -0.454 0.000 0.816 445 L CB -0.276 41.542 42.059 -0.401 0.000 0.952 445 L HN 0.870 nan 8.230 nan 0.000 0.455 446 S N -2.771 112.474 115.700 -0.758 0.000 2.512 446 S HA -0.010 3.226 4.470 -2.058 0.000 0.216 446 S C 1.878 176.001 174.600 -0.794 0.000 1.006 446 S CA -0.197 57.413 58.200 -0.983 0.000 0.915 446 S CB -0.374 61.809 63.200 -1.694 0.000 0.824 446 S HN 0.295 nan 8.310 nan 0.000 0.497 447 C N 1.975 120.821 119.300 -0.757 0.000 2.413 447 C HA 0.067 3.292 4.460 -2.058 0.000 0.276 447 C C 2.424 177.094 174.990 -0.533 0.000 1.236 447 C CA 1.130 59.637 59.018 -0.851 0.000 1.735 447 C CB -0.978 26.023 27.740 -1.232 0.000 2.031 447 C HN 0.560 nan 8.230 nan 0.000 0.474 448 E N 0.062 120.041 120.200 -0.368 0.000 2.476 448 E HA 0.201 3.316 4.350 -2.058 0.000 0.196 448 E C 1.847 178.382 176.600 -0.108 0.000 1.029 448 E CA -0.084 56.208 56.400 -0.180 0.000 0.896 448 E CB -0.245 29.372 29.700 -0.138 0.000 1.012 448 E HN 0.546 nan 8.360 nan 0.000 0.475 449 L N 0.171 121.320 121.223 -0.123 0.000 1.989 449 L HA -0.102 3.003 4.340 -2.058 0.000 0.211 449 L C 0.605 177.484 176.870 0.015 0.000 1.071 449 L CA 1.116 55.933 54.840 -0.038 0.000 0.749 449 L CB -0.061 41.991 42.059 -0.011 0.000 0.890 449 L HN 0.106 nan 8.230 nan 0.000 0.431 450 N N -1.005 117.724 118.700 0.048 0.000 2.722 450 N HA 0.135 3.640 4.740 -2.058 0.000 0.242 450 N C -2.068 173.470 175.510 0.048 0.000 1.398 450 N CA -0.651 52.424 53.050 0.041 0.000 0.755 450 N CB 1.636 40.145 38.487 0.037 0.000 1.268 450 N HN -0.043 nan 8.380 nan 0.000 0.522 451 P HA -0.153 nan 4.420 nan 0.000 0.216 451 P C 0.809 178.154 177.300 0.076 0.000 1.150 451 P CA 1.447 64.592 63.100 0.075 0.000 0.843 451 P CB 0.655 32.407 31.700 0.087 0.000 0.787 452 E N -0.650 119.577 120.200 0.045 0.000 2.122 452 E HA -0.097 3.018 4.350 -2.058 0.000 0.190 452 E C 2.279 178.887 176.600 0.013 0.000 0.977 452 E CA 0.488 56.908 56.400 0.032 0.000 0.820 452 E CB -0.142 29.570 29.700 0.020 0.000 0.770 452 E HN 0.153 nan 8.360 nan 0.000 0.462 453 R N -0.007 120.490 120.500 -0.005 0.000 2.173 453 R HA 0.078 3.183 4.340 -2.058 0.000 0.208 453 R C 0.005 176.269 176.300 -0.061 0.000 1.035 453 R CA 0.738 56.813 56.100 -0.043 0.000 1.004 453 R CB 0.255 30.520 30.300 -0.058 0.000 0.917 453 R HN -0.021 nan 8.270 nan 0.000 0.462 454 c N 1.268 119.848 118.600 -0.034 0.000 2.386 454 c HA 0.430 3.765 4.570 -2.058 0.000 0.318 454 c C -0.370 173.733 174.090 0.023 0.000 1.128 454 c CA -0.616 55.648 56.329 -0.108 0.000 1.438 454 c CB 1.126 43.547 42.510 -0.148 0.000 1.987 454 c HN 0.602 nan 8.230 nan 0.000 0.426 455 Q N 0.553 120.359 119.800 0.009 0.000 2.093 455 Q HA 0.218 3.323 4.340 -2.058 0.000 0.217 455 Q C -0.971 175.121 176.000 0.153 0.000 0.785 455 Q CA 0.078 55.960 55.803 0.132 0.000 1.038 455 Q CB 1.299 30.121 28.738 0.140 0.000 1.190 455 Q HN 0.786 nan 8.270 nan 0.000 0.468 456 Y N 0.321 120.547 120.300 -0.123 0.000 2.344 456 Y HA 0.357 3.672 4.550 -2.058 0.000 0.328 456 Y C -1.701 174.074 175.900 -0.207 0.000 1.067 456 Y CA -0.955 57.090 58.100 -0.091 0.000 1.247 456 Y CB 0.763 39.173 38.460 -0.083 0.000 1.113 456 Y HN -0.059 nan 8.280 nan 0.000 0.465 457 Y N 2.492 122.712 120.300 -0.133 0.000 2.446 457 Y HA 0.654 3.969 4.550 -2.058 0.000 0.338 457 Y C 0.310 176.150 175.900 -0.099 0.000 1.055 457 Y CA -0.513 57.528 58.100 -0.099 0.000 1.101 457 Y CB 2.212 40.580 38.460 -0.154 0.000 1.221 457 Y HN 0.531 nan 8.280 nan 0.000 0.460 458 S N 0.953 116.731 115.700 0.130 0.000 2.709 458 S HA 0.863 4.098 4.470 -2.058 0.000 0.302 458 S C -1.535 173.129 174.600 0.106 0.000 1.127 458 S CA -0.821 57.445 58.200 0.110 0.000 0.905 458 S CB 1.900 65.180 63.200 0.134 0.000 1.151 458 S HN 0.568 nan 8.310 nan 0.000 0.510 459 V N 0.257 120.229 119.914 0.096 0.000 2.841 459 V HA 0.795 3.680 4.120 -2.058 0.000 0.310 459 V C -1.143 175.007 176.094 0.094 0.000 1.090 459 V CA -0.326 61.990 62.300 0.026 0.000 0.930 459 V CB 2.280 34.006 31.823 -0.162 0.000 1.014 459 V HN 1.074 nan 8.190 nan 0.000 0.425 460 S N 5.582 121.338 115.700 0.092 0.000 2.669 460 S HA 0.654 3.889 4.470 -2.058 0.000 0.315 460 S C -1.006 173.699 174.600 0.174 0.000 1.106 460 S CA -0.368 57.986 58.200 0.257 0.000 1.107 460 S CB 0.227 63.663 63.200 0.393 0.000 0.990 460 S HN 0.505 nan 8.310 nan 0.000 0.471 461 F N 3.168 123.164 119.950 0.076 0.000 2.384 461 F HA 0.364 3.656 4.527 -2.058 0.000 0.338 461 F C 1.440 176.839 175.800 -0.668 0.000 1.103 461 F CA -0.264 57.612 58.000 -0.207 0.000 1.157 461 F CB 1.232 40.121 39.000 -0.184 0.000 1.167 461 F HN 0.580 nan 8.300 nan 0.000 0.529 462 S N 1.838 116.966 115.700 -0.954 0.000 2.606 462 S HA 0.101 3.336 4.470 -2.058 0.000 0.257 462 S C 1.251 175.680 174.600 -0.286 0.000 1.327 462 S CA -0.703 56.806 58.200 -1.152 0.000 0.984 462 S CB 0.728 63.307 63.200 -1.035 0.000 0.941 462 S HN 0.742 nan 8.310 nan 0.000 0.576 463 K N 0.404 120.756 120.400 -0.079 0.000 2.127 463 K HA -0.147 2.938 4.320 -2.058 0.000 0.208 463 K C 1.287 177.915 176.600 0.047 0.000 1.047 463 K CA 2.022 58.340 56.287 0.051 0.000 0.927 463 K CB -0.105 32.454 32.500 0.099 0.000 0.716 463 K HN 0.794 nan 8.250 nan 0.000 0.450 464 E N -1.695 118.525 120.200 0.034 0.000 3.385 464 E HA 0.277 3.393 4.350 -2.058 0.000 0.206 464 E C -0.829 175.770 176.600 -0.003 0.000 0.997 464 E CA 0.305 56.726 56.400 0.036 0.000 1.278 464 E CB 0.577 30.318 29.700 0.068 0.000 1.165 464 E HN 0.324 nan 8.360 nan 0.000 0.452 465 A N 1.076 123.873 122.820 -0.038 0.000 2.790 465 A HA -0.314 2.772 4.320 -2.058 0.000 0.277 465 A C 1.498 179.075 177.584 -0.013 0.000 1.435 465 A CA 1.580 53.600 52.037 -0.028 0.000 0.877 465 A CB -1.585 17.242 19.000 -0.288 0.000 1.007 465 A HN 0.427 nan 8.150 nan 0.000 0.613 466 K N -1.833 118.516 120.400 -0.085 0.000 2.288 466 K HA 0.044 3.129 4.320 -2.058 0.000 0.201 466 K C -0.146 176.120 176.600 -0.556 0.000 1.048 466 K CA 1.270 57.389 56.287 -0.280 0.000 0.956 466 K CB 0.009 32.315 32.500 -0.324 0.000 0.746 466 K HN 0.701 nan 8.250 nan 0.000 0.461 467 Y N -0.726 119.513 120.300 -0.101 0.000 2.576 467 Y HA 0.298 3.614 4.550 -2.058 0.000 0.346 467 Y C -0.805 174.980 175.900 -0.192 0.000 1.018 467 Y CA -1.453 56.558 58.100 -0.149 0.000 1.050 467 Y CB 1.577 39.974 38.460 -0.106 0.000 1.280 467 Y HN -0.055 nan 8.280 nan 0.000 0.474 468 Y N -0.939 119.333 120.300 -0.047 0.000 2.470 468 Y HA 0.488 3.803 4.550 -2.058 0.000 0.341 468 Y C -1.060 174.883 175.900 0.072 0.000 1.021 468 Y CA -1.504 56.428 58.100 -0.280 0.000 1.025 468 Y CB 1.405 39.231 38.460 -1.056 0.000 1.266 468 Y HN 0.610 nan 8.280 nan 0.000 0.448 469 Q N 4.207 124.165 119.800 0.264 0.000 2.279 469 Q HA 0.473 3.578 4.340 -2.058 0.000 0.256 469 Q C -1.560 174.567 176.000 0.211 0.000 0.937 469 Q CA -0.546 55.379 55.803 0.203 0.000 0.933 469 Q CB 1.040 29.861 28.738 0.138 0.000 1.189 469 Q HN 0.970 nan 8.270 nan 0.000 0.417 470 L N 4.191 125.575 121.223 0.267 0.000 2.312 470 L HA 0.498 3.603 4.340 -2.058 0.000 0.281 470 L C 0.127 177.075 176.870 0.131 0.000 1.070 470 L CA -0.496 54.480 54.840 0.228 0.000 0.805 470 L CB 1.274 43.494 42.059 0.268 0.000 1.174 470 L HN 0.558 nan 8.230 nan 0.000 0.434 471 R N 3.522 124.054 120.500 0.054 0.000 2.388 471 R HA 0.325 3.430 4.340 -2.058 0.000 0.314 471 R C -1.298 174.812 176.300 -0.317 0.000 0.959 471 R CA -0.444 55.499 56.100 -0.262 0.000 0.851 471 R CB 1.432 31.635 30.300 -0.162 0.000 1.168 471 R HN 0.765 nan 8.270 nan 0.000 0.472 472 c N 3.495 121.761 118.600 -0.556 0.000 2.295 472 c HA 0.515 3.850 4.570 -2.058 0.000 0.331 472 c C 0.805 174.643 174.090 -0.419 0.000 1.280 472 c CA -0.320 55.580 56.329 -0.715 0.000 1.746 472 c CB 1.053 43.010 42.510 -0.922 0.000 2.328 472 c HN 0.896 nan 8.230 nan 0.000 0.521 473 S N 2.976 118.540 115.700 -0.227 0.000 2.539 473 S HA 0.555 3.790 4.470 -2.058 0.000 0.221 473 S C 0.629 175.196 174.600 -0.055 0.000 0.987 473 S CA 0.462 58.602 58.200 -0.100 0.000 0.929 473 S CB 0.274 63.449 63.200 -0.040 0.000 0.832 473 S HN 1.506 nan 8.310 nan 0.000 0.492 474 G N 1.627 110.379 108.800 -0.080 0.000 2.320 474 G HA2 0.252 2.977 3.960 -2.058 0.000 0.297 474 G HA3 0.252 2.977 3.960 -2.058 0.000 0.297 474 G C -3.024 171.866 174.900 -0.017 0.000 1.344 474 G CA -0.649 44.442 45.100 -0.014 0.000 0.851 474 G HN -0.182 nan 8.290 nan 0.000 0.567 475 P HA 0.147 nan 4.420 nan 0.000 0.236 475 P C 1.322 178.644 177.300 0.036 0.000 1.177 475 P CA 1.268 64.401 63.100 0.055 0.000 0.773 475 P CB 0.322 32.051 31.700 0.049 0.000 0.878 476 G N 0.559 109.318 108.800 -0.068 0.000 2.588 476 G HA2 0.343 3.068 3.960 -2.058 0.000 0.278 476 G HA3 0.343 3.068 3.960 -2.058 0.000 0.278 476 G C -0.181 174.496 174.900 -0.371 0.000 1.307 476 G CA -0.696 44.289 45.100 -0.191 0.000 1.016 476 G HN 0.054 nan 8.290 nan 0.000 0.503 477 L N 1.088 122.011 121.223 -0.500 0.000 2.485 477 L HA 0.120 3.226 4.340 -2.058 0.000 0.275 477 L C -1.779 174.946 176.870 -0.242 0.000 1.207 477 L CA -1.199 53.329 54.840 -0.520 0.000 0.855 477 L CB 0.335 42.165 42.059 -0.381 0.000 1.114 477 L HN 0.252 nan 8.230 nan 0.000 0.485 478 P HA 0.006 nan 4.420 nan 0.000 0.264 478 P C -0.909 176.340 177.300 -0.085 0.000 1.179 478 P CA 0.137 63.181 63.100 -0.092 0.000 0.763 478 P CB 0.493 32.254 31.700 0.102 0.000 0.806 479 L N 4.949 126.007 121.223 -0.276 0.000 2.476 479 L HA 0.440 3.546 4.340 -2.058 0.000 0.269 479 L C -1.803 174.877 176.870 -0.317 0.000 0.965 479 L CA -0.534 54.206 54.840 -0.165 0.000 0.845 479 L CB 0.983 42.961 42.059 -0.135 0.000 1.259 479 L HN 0.249 nan 8.230 nan 0.000 0.403 480 Y N 2.838 123.099 120.300 -0.066 0.000 2.328 480 Y HA 0.739 4.054 4.550 -2.058 0.000 0.337 480 Y C 0.417 176.208 175.900 -0.180 0.000 0.966 480 Y CA -0.551 57.491 58.100 -0.096 0.000 1.136 480 Y CB 2.166 40.558 38.460 -0.114 0.000 1.170 480 Y HN 0.635 nan 8.280 nan 0.000 0.470 481 T N 1.457 115.999 114.554 -0.020 0.000 2.906 481 T HA 0.648 3.764 4.350 -2.058 0.000 0.295 481 T C -1.231 173.306 174.700 -0.271 0.000 1.061 481 T CA -0.920 61.081 62.100 -0.164 0.000 1.000 481 T CB 1.721 70.531 68.868 -0.097 0.000 1.103 481 T HN 0.551 nan 8.240 nan 0.000 0.486 482 L N 2.285 123.223 121.223 -0.476 0.000 2.325 482 L HA 0.585 3.691 4.340 -2.058 0.000 0.278 482 L C -0.565 175.875 176.870 -0.716 0.000 1.023 482 L CA -0.848 53.758 54.840 -0.391 0.000 0.811 482 L CB 1.170 43.098 42.059 -0.218 0.000 1.249 482 L HN 0.816 nan 8.230 nan 0.000 0.431 483 H N 1.396 120.245 119.070 -0.369 0.000 2.851 483 H HA 0.257 3.579 4.556 -2.058 0.000 0.372 483 H C -0.745 174.338 175.328 -0.408 0.000 1.158 483 H CA -0.794 54.922 56.048 -0.554 0.000 1.159 483 H CB 2.217 31.267 29.762 -1.187 0.000 1.757 483 H HN 0.503 nan 8.280 nan 0.000 0.546 484 S N 0.566 116.197 115.700 -0.114 0.000 2.438 484 S HA 0.086 3.321 4.470 -2.058 0.000 0.293 484 S C 1.202 175.752 174.600 -0.083 0.000 1.141 484 S CA -0.305 57.817 58.200 -0.130 0.000 1.080 484 S CB 1.290 64.434 63.200 -0.094 0.000 0.978 484 S HN 0.702 nan 8.310 nan 0.000 0.479 485 S N 3.356 119.050 115.700 -0.010 0.000 2.481 485 S HA -0.096 3.139 4.470 -2.058 0.000 0.231 485 S C 1.618 176.258 174.600 0.066 0.000 0.996 485 S CA 0.733 59.056 58.200 0.205 0.000 0.942 485 S CB -0.950 62.394 63.200 0.239 0.000 0.768 485 S HN 0.640 nan 8.310 nan 0.000 0.520 486 V N 2.419 122.314 119.914 -0.032 0.000 2.231 486 V HA -0.182 2.703 4.120 -2.058 0.000 0.250 486 V C 1.829 177.915 176.094 -0.013 0.000 1.058 486 V CA 2.109 64.390 62.300 -0.031 0.000 1.022 486 V CB -0.798 30.984 31.823 -0.067 0.000 0.640 486 V HN 0.571 nan 8.190 nan 0.000 0.445 487 N N -1.274 117.418 118.700 -0.015 0.000 2.299 487 N HA 0.112 3.617 4.740 -2.058 0.000 0.246 487 N C -0.138 175.370 175.510 -0.003 0.000 1.254 487 N CA 0.131 53.173 53.050 -0.012 0.000 0.879 487 N CB 0.395 38.875 38.487 -0.012 0.000 1.214 487 N HN 0.442 nan 8.380 nan 0.000 0.510 488 D N 0.701 121.117 120.400 0.028 0.000 2.931 488 D HA -0.217 3.189 4.640 -2.058 0.000 0.228 488 D C 0.085 176.415 176.300 0.051 0.000 1.180 488 D CA 1.031 55.075 54.000 0.073 0.000 0.784 488 D CB -0.864 39.967 40.800 0.051 0.000 1.093 488 D HN 0.601 nan 8.370 nan 0.000 0.421 489 K N 0.032 120.444 120.400 0.019 0.000 2.237 489 K HA 0.467 3.552 4.320 -2.058 0.000 0.270 489 K C 0.724 177.328 176.600 0.006 0.000 1.015 489 K CA -0.279 56.014 56.287 0.010 0.000 0.949 489 K CB 1.000 33.493 32.500 -0.012 0.000 0.976 489 K HN -0.048 nan 8.250 nan 0.000 0.472 490 G N 2.601 111.394 108.800 -0.011 0.000 2.380 490 G HA2 0.203 2.928 3.960 -2.058 0.000 0.262 490 G HA3 0.203 2.928 3.960 -2.058 0.000 0.262 490 G C 0.384 175.178 174.900 -0.178 0.000 1.243 490 G CA -0.784 44.219 45.100 -0.162 0.000 0.865 490 G HN 0.668 nan 8.290 nan 0.000 0.513 491 L N 1.717 122.788 121.223 -0.254 0.000 2.130 491 L HA 0.318 3.423 4.340 -2.058 0.000 0.200 491 L C 1.570 178.350 176.870 -0.151 0.000 1.075 491 L CA 0.754 55.502 54.840 -0.152 0.000 0.768 491 L CB -0.129 41.863 42.059 -0.112 0.000 0.933 491 L HN 0.738 nan 8.230 nan 0.000 0.451 492 R N -1.582 118.787 120.500 -0.218 0.000 2.709 492 R HA 0.378 3.484 4.340 -2.058 0.000 0.270 492 R C -1.558 174.604 176.300 -0.231 0.000 1.038 492 R CA -0.858 55.133 56.100 -0.182 0.000 0.872 492 R CB 1.414 31.634 30.300 -0.133 0.000 1.259 492 R HN -0.271 nan 8.270 nan 0.000 0.473 493 V N 3.606 123.415 119.914 -0.175 0.000 2.439 493 V HA 0.090 2.975 4.120 -2.058 0.000 0.271 493 V C 1.509 177.462 176.094 -0.234 0.000 1.040 493 V CA -0.135 62.064 62.300 -0.168 0.000 1.002 493 V CB 0.690 32.454 31.823 -0.098 0.000 1.000 493 V HN 0.650 nan 8.190 nan 0.000 0.477 494 L N 2.676 123.686 121.223 -0.354 0.000 2.084 494 L HA 0.208 3.313 4.340 -2.058 0.000 0.202 494 L C 0.899 177.533 176.870 -0.393 0.000 1.074 494 L CA 0.942 55.377 54.840 -0.676 0.000 0.757 494 L CB 0.120 41.393 42.059 -1.311 0.000 0.918 494 L HN 0.654 nan 8.230 nan 0.000 0.444 495 E N -0.114 119.997 120.200 -0.148 0.000 2.287 495 E HA 0.102 3.218 4.350 -2.058 0.000 0.274 495 E C -1.099 175.563 176.600 0.103 0.000 0.896 495 E CA -0.393 56.027 56.400 0.033 0.000 0.788 495 E CB 1.195 30.939 29.700 0.072 0.000 1.244 495 E HN 0.178 nan 8.360 nan 0.000 0.408 496 D N 3.214 123.647 120.400 0.055 0.000 2.469 496 D HA 0.103 3.508 4.640 -2.058 0.000 0.215 496 D C -0.374 175.945 176.300 0.032 0.000 1.154 496 D CA -0.274 53.747 54.000 0.035 0.000 0.832 496 D CB -0.082 40.718 40.800 -0.000 0.000 1.008 496 D HN 0.451 nan 8.370 nan 0.000 0.506 497 N N 0.583 119.320 118.700 0.060 0.000 2.727 497 N HA -0.190 3.315 4.740 -2.058 0.000 0.249 497 N C 0.762 176.290 175.510 0.030 0.000 1.048 497 N CA 0.906 53.988 53.050 0.054 0.000 0.714 497 N CB -1.210 37.305 38.487 0.047 0.000 0.959 497 N HN 0.477 nan 8.380 nan 0.000 0.544 498 S N -1.290 114.428 115.700 0.030 0.000 2.406 498 S HA 0.064 3.299 4.470 -2.058 0.000 0.228 498 S C 2.096 176.719 174.600 0.038 0.000 1.020 498 S CA 0.661 58.875 58.200 0.023 0.000 0.965 498 S CB -0.010 63.201 63.200 0.018 0.000 0.798 498 S HN 0.505 nan 8.310 nan 0.000 0.488 499 A N 1.937 124.787 122.820 0.050 0.000 1.933 499 A HA 0.055 3.140 4.320 -2.058 0.000 0.218 499 A C 2.194 179.830 177.584 0.087 0.000 1.175 499 A CA 1.555 53.630 52.037 0.062 0.000 0.628 499 A CB -0.769 18.267 19.000 0.060 0.000 0.814 499 A HN 0.488 nan 8.150 nan 0.000 0.444 500 L N 0.203 121.483 121.223 0.096 0.000 2.044 500 L HA -0.090 3.015 4.340 -2.058 0.000 0.205 500 L C 1.948 178.881 176.870 0.105 0.000 1.075 500 L CA 2.716 57.639 54.840 0.139 0.000 0.747 500 L CB -0.724 41.421 42.059 0.143 0.000 0.903 500 L HN 0.476 nan 8.230 nan 0.000 0.435 501 D N -0.400 120.026 120.400 0.042 0.000 2.133 501 D HA -0.325 3.080 4.640 -2.058 0.000 0.192 501 D C 2.251 178.578 176.300 0.044 0.000 1.001 501 D CA 1.958 55.965 54.000 0.012 0.000 0.844 501 D CB -0.074 40.719 40.800 -0.012 0.000 0.944 501 D HN 0.356 nan 8.370 nan 0.000 0.447 502 K N -0.770 119.666 120.400 0.059 0.000 2.057 502 K HA -0.105 2.980 4.320 -2.058 0.000 0.207 502 K C 2.234 178.896 176.600 0.103 0.000 1.049 502 K CA 1.164 57.492 56.287 0.068 0.000 0.931 502 K CB -0.084 32.451 32.500 0.059 0.000 0.714 502 K HN 0.226 nan 8.250 nan 0.000 0.440 503 M N 0.015 119.704 119.600 0.149 0.000 2.296 503 M HA -0.128 3.118 4.480 -2.058 0.000 0.265 503 M C 1.242 177.705 176.300 0.272 0.000 1.064 503 M CA 0.823 56.267 55.300 0.241 0.000 1.109 503 M CB 0.105 32.908 32.600 0.339 0.000 1.396 503 M HN 0.129 nan 8.290 nan 0.000 0.430 504 L N -0.229 121.090 121.223 0.159 0.000 2.567 504 L HA 0.032 3.137 4.340 -2.058 0.000 0.225 504 L C 2.045 178.946 176.870 0.052 0.000 1.119 504 L CA 1.143 56.013 54.840 0.051 0.000 0.871 504 L CB -0.781 41.273 42.059 -0.009 0.000 1.036 504 L HN 0.288 nan 8.230 nan 0.000 0.459 505 Q N 0.687 120.532 119.800 0.075 0.000 2.096 505 Q HA -0.225 2.880 4.340 -2.058 0.000 0.208 505 Q C 0.767 176.820 176.000 0.088 0.000 0.993 505 Q CA 1.997 57.842 55.803 0.071 0.000 0.862 505 Q CB -0.049 28.733 28.738 0.074 0.000 0.915 505 Q HN 0.632 nan 8.270 nan 0.000 0.416 506 N N -1.182 117.585 118.700 0.110 0.000 2.321 506 N HA 0.102 3.607 4.740 -2.058 0.000 0.242 506 N C -1.019 174.564 175.510 0.122 0.000 1.141 506 N CA -0.083 53.045 53.050 0.129 0.000 0.864 506 N CB 0.485 39.060 38.487 0.147 0.000 1.100 506 N HN -0.133 nan 8.380 nan 0.000 0.510 507 V N 0.790 120.758 119.914 0.090 0.000 2.439 507 V HA 0.225 3.110 4.120 -2.058 0.000 0.282 507 V C 0.405 176.527 176.094 0.048 0.000 1.039 507 V CA -0.733 61.607 62.300 0.067 0.000 0.913 507 V CB 1.547 33.356 31.823 -0.025 0.000 0.983 507 V HN 0.236 nan 8.190 nan 0.000 0.460 508 Q N 4.535 124.376 119.800 0.068 0.000 2.513 508 Q HA 0.272 3.377 4.340 -2.058 0.000 0.227 508 Q C -0.326 175.667 176.000 -0.013 0.000 1.257 508 Q CA -0.138 55.681 55.803 0.027 0.000 0.915 508 Q CB 0.289 29.081 28.738 0.090 0.000 1.507 508 Q HN 0.556 nan 8.270 nan 0.000 0.543 509 M N 3.316 122.888 119.600 -0.048 0.000 2.255 509 M HA 0.360 3.605 4.480 -2.058 0.000 0.336 509 M C -2.008 174.235 176.300 -0.096 0.000 1.135 509 M CA -2.464 52.796 55.300 -0.067 0.000 1.145 509 M CB 0.154 32.720 32.600 -0.058 0.000 1.473 509 M HN 0.274 nan 8.290 nan 0.000 0.462 510 P HA 0.209 nan 4.420 nan 0.000 0.274 510 P C -0.740 176.487 177.300 -0.122 0.000 1.246 510 P CA -0.328 62.690 63.100 -0.137 0.000 0.795 510 P CB 0.511 32.112 31.700 -0.165 0.000 1.006 511 S N -0.389 115.224 115.700 -0.145 0.000 2.747 511 S HA 0.559 3.794 4.470 -2.058 0.000 0.300 511 S C -0.437 174.075 174.600 -0.147 0.000 1.121 511 S CA -0.792 57.335 58.200 -0.121 0.000 0.995 511 S CB 1.607 64.733 63.200 -0.123 0.000 1.113 511 S HN 0.483 nan 8.310 nan 0.000 0.547 512 K N 0.500 120.837 120.400 -0.105 0.000 2.292 512 K HA 0.367 3.453 4.320 -2.058 0.000 0.257 512 K C -1.202 175.339 176.600 -0.099 0.000 0.940 512 K CA -0.538 55.687 56.287 -0.102 0.000 0.811 512 K CB 1.286 33.752 32.500 -0.056 0.000 1.120 512 K HN 0.713 nan 8.250 nan 0.000 0.428 513 K N 5.866 126.194 120.400 -0.120 0.000 2.240 513 K HA 0.280 3.365 4.320 -2.058 0.000 0.271 513 K C -1.233 175.328 176.600 -0.064 0.000 1.018 513 K CA -0.585 55.647 56.287 -0.092 0.000 0.874 513 K CB 0.865 33.296 32.500 -0.116 0.000 1.098 513 K HN 0.566 nan 8.250 nan 0.000 0.458 514 L N 4.820 126.018 121.223 -0.042 0.000 2.298 514 L HA 0.424 3.529 4.340 -2.058 0.000 0.284 514 L C -1.104 175.751 176.870 -0.025 0.000 1.013 514 L CA -0.146 54.696 54.840 0.003 0.000 0.824 514 L CB 1.180 43.313 42.059 0.123 0.000 1.221 514 L HN 0.858 nan 8.230 nan 0.000 0.418 515 D N 2.866 123.052 120.400 -0.357 0.000 2.838 515 D HA 0.448 3.853 4.640 -2.058 0.000 0.334 515 D C -1.474 174.317 176.300 -0.848 0.000 1.315 515 D CA -0.034 53.617 54.000 -0.582 0.000 0.917 515 D CB 2.073 42.548 40.800 -0.542 0.000 1.435 515 D HN 0.201 nan 8.370 nan 0.000 0.517 516 F N -0.017 119.481 119.950 -0.752 0.000 2.611 516 F HA 0.746 4.045 4.527 -2.046 0.000 0.324 516 F C -0.457 175.387 175.800 0.074 0.000 1.061 516 F CA -1.112 56.565 58.000 -0.539 0.000 0.954 516 F CB 0.912 39.196 39.000 -1.193 0.000 1.301 516 F HN 0.234 nan 8.300 nan 0.000 0.482 517 I N 0.200 121.050 120.570 0.466 0.000 2.646 517 I HA 0.643 3.579 4.170 -2.058 0.000 0.299 517 I C -1.220 175.135 176.117 0.397 0.000 1.036 517 I CA -1.159 60.367 61.300 0.377 0.000 1.074 517 I CB 2.279 40.465 38.000 0.309 0.000 1.258 517 I HN 0.619 nan 8.210 nan 0.000 0.430 518 I N 5.566 126.314 120.570 0.295 0.000 2.342 518 I HA 0.414 3.350 4.170 -2.058 0.000 0.291 518 I C -0.577 175.677 176.117 0.228 0.000 1.010 518 I CA -0.277 61.163 61.300 0.234 0.000 1.308 518 I CB 1.144 39.244 38.000 0.167 0.000 1.400 518 I HN 0.377 nan 8.210 nan 0.000 0.488 519 L N 5.936 127.340 121.223 0.302 0.000 2.438 519 L HA 0.378 3.483 4.340 -2.058 0.000 0.270 519 L C -0.169 176.852 176.870 0.250 0.000 0.972 519 L CA -0.856 54.143 54.840 0.265 0.000 0.831 519 L CB 1.740 43.978 42.059 0.298 0.000 1.273 519 L HN 0.578 nan 8.230 nan 0.000 0.405 520 N N 2.368 121.149 118.700 0.135 0.000 2.686 520 N HA -0.227 3.278 4.740 -2.058 0.000 0.261 520 N C -0.243 175.314 175.510 0.078 0.000 1.001 520 N CA 1.011 54.116 53.050 0.091 0.000 0.764 520 N CB -0.712 37.824 38.487 0.081 0.000 0.898 520 N HN 0.788 nan 8.380 nan 0.000 0.544 521 E N -2.954 117.283 120.200 0.062 0.000 2.551 521 E HA -0.291 2.824 4.350 -2.058 0.000 0.251 521 E C -0.680 175.914 176.600 -0.010 0.000 1.210 521 E CA 1.352 57.769 56.400 0.028 0.000 0.725 521 E CB -1.417 28.290 29.700 0.011 0.000 1.290 521 E HN 0.487 nan 8.360 nan 0.000 0.413 522 T N 0.263 114.813 114.554 -0.008 0.000 2.824 522 T HA 0.332 3.448 4.350 -2.058 0.000 0.282 522 T C -0.041 174.488 174.700 -0.284 0.000 0.993 522 T CA -0.977 61.006 62.100 -0.195 0.000 0.967 522 T CB 1.550 70.237 68.868 -0.302 0.000 0.960 522 T HN 0.006 nan 8.240 nan 0.000 0.441 523 K N 2.142 122.322 120.400 -0.366 0.000 2.368 523 K HA 0.357 3.443 4.320 -2.058 0.000 0.282 523 K C -1.071 175.244 176.600 -0.475 0.000 1.035 523 K CA 0.139 56.218 56.287 -0.346 0.000 0.973 523 K CB 0.319 32.542 32.500 -0.462 0.000 0.957 523 K HN 0.411 nan 8.250 nan 0.000 0.474 524 F N 2.296 122.293 119.950 0.079 0.000 2.507 524 F HA 0.278 3.568 4.527 -2.061 0.000 0.328 524 F C -0.580 175.263 175.800 0.071 0.000 1.136 524 F CA -0.786 57.262 58.000 0.079 0.000 0.930 524 F CB 0.926 40.007 39.000 0.136 0.000 1.166 524 F HN 0.433 nan 8.300 nan 0.000 0.436 525 W N 4.053 125.444 121.300 0.151 0.000 2.313 525 W HA 0.514 3.944 4.660 -2.051 0.000 0.328 525 W C -0.608 176.027 176.519 0.192 0.000 1.197 525 W CA -0.490 56.957 57.345 0.171 0.000 1.235 525 W CB 0.722 30.241 29.460 0.099 0.000 1.158 525 W HN 0.445 nan 8.180 nan 0.000 0.578 526 Y N -0.164 120.419 120.300 0.472 0.000 2.588 526 Y HA 0.637 3.972 4.550 -2.024 0.000 0.343 526 Y C -0.903 175.218 175.900 0.368 0.000 1.065 526 Y CA -1.888 56.512 58.100 0.501 0.000 1.038 526 Y CB 1.093 40.047 38.460 0.824 0.000 1.297 526 Y HN 0.561 nan 8.280 nan 0.000 0.467 527 Q N 2.439 122.465 119.800 0.378 0.000 2.394 527 Q HA 0.756 3.862 4.340 -2.058 0.000 0.273 527 Q C -1.705 174.414 176.000 0.199 0.000 1.089 527 Q CA -1.160 54.757 55.803 0.190 0.000 0.812 527 Q CB 3.202 32.015 28.738 0.125 0.000 1.353 527 Q HN 0.877 nan 8.270 nan 0.000 0.438 528 M N 2.638 122.277 119.600 0.065 0.000 2.259 528 M HA 0.408 3.653 4.480 -2.058 0.000 0.304 528 M C -1.210 175.008 176.300 -0.136 0.000 1.019 528 M CA -0.909 54.351 55.300 -0.067 0.000 0.922 528 M CB 2.018 34.531 32.600 -0.146 0.000 1.600 528 M HN 0.599 nan 8.290 nan 0.000 0.433 529 I N 5.296 125.786 120.570 -0.134 0.000 2.322 529 I HA 0.294 3.230 4.170 -2.058 0.000 0.292 529 I C -0.425 175.539 176.117 -0.254 0.000 1.060 529 I CA -0.118 61.078 61.300 -0.173 0.000 1.309 529 I CB -0.072 37.845 38.000 -0.138 0.000 1.415 529 I HN 0.639 nan 8.210 nan 0.000 0.492 530 L N 8.552 129.578 121.223 -0.328 0.000 2.307 530 L HA 0.445 3.551 4.340 -2.058 0.000 0.284 530 L C -2.183 174.504 176.870 -0.305 0.000 1.023 530 L CA -1.874 52.681 54.840 -0.475 0.000 0.810 530 L CB 1.516 43.098 42.059 -0.795 0.000 1.231 530 L HN 0.273 nan 8.230 nan 0.000 0.423 531 P HA 0.002 nan 4.420 nan 0.000 0.267 531 P C -2.401 174.859 177.300 -0.067 0.000 1.201 531 P CA -0.686 62.349 63.100 -0.109 0.000 0.775 531 P CB -0.330 31.357 31.700 -0.023 0.000 0.854 532 P HA -0.105 nan 4.420 nan 0.000 0.268 532 P C -0.040 177.192 177.300 -0.113 0.000 1.208 532 P CA 0.731 63.703 63.100 -0.213 0.000 0.777 532 P CB -0.039 31.489 31.700 -0.288 0.000 0.875 533 H N -1.850 117.257 119.070 0.062 0.000 2.741 533 H HA -0.208 3.112 4.556 -2.060 0.000 0.305 533 H C 0.138 175.521 175.328 0.091 0.000 1.169 533 H CA 0.151 56.234 56.048 0.059 0.000 1.144 533 H CB -2.437 27.347 29.762 0.037 0.000 1.397 533 H HN 0.410 nan 8.280 nan 0.000 0.409 534 F N 2.509 122.450 119.950 -0.015 0.000 2.608 534 F HA 0.164 3.405 4.527 -2.144 0.000 0.380 534 F C 0.507 176.312 175.800 0.009 0.000 1.083 534 F CA 0.046 58.001 58.000 -0.076 0.000 1.266 534 F CB 0.538 39.377 39.000 -0.269 0.000 1.076 534 F HN 0.172 nan 8.300 nan 0.000 0.574 535 D N 5.616 125.609 120.400 -0.680 0.000 2.473 535 D HA 0.204 3.609 4.640 -2.058 0.000 0.253 535 D C 0.318 176.228 176.300 -0.649 0.000 1.233 535 D CA -0.503 53.202 54.000 -0.492 0.000 0.908 535 D CB 1.272 41.971 40.800 -0.169 0.000 1.170 535 D HN 0.614 nan 8.370 nan 0.000 0.558 536 K N 0.845 120.869 120.400 -0.626 0.000 2.442 536 K HA -0.049 3.036 4.320 -2.058 0.000 0.198 536 K C 1.468 178.054 176.600 -0.024 0.000 1.044 536 K CA 0.716 56.843 56.287 -0.266 0.000 0.948 536 K CB 0.228 32.711 32.500 -0.028 0.000 0.762 536 K HN 0.240 nan 8.250 nan 0.000 0.472 537 S N 0.751 116.399 115.700 -0.086 0.000 2.428 537 S HA -0.034 3.201 4.470 -2.058 0.000 0.230 537 S C 0.625 175.182 174.600 -0.072 0.000 1.014 537 S CA 0.864 59.032 58.200 -0.054 0.000 0.957 537 S CB 0.086 63.246 63.200 -0.067 0.000 0.784 537 S HN 0.187 nan 8.310 nan 0.000 0.499 538 K N 1.704 122.027 120.400 -0.129 0.000 2.126 538 K HA 0.234 3.320 4.320 -2.058 0.000 0.257 538 K C -0.197 176.304 176.600 -0.165 0.000 1.007 538 K CA -0.021 56.117 56.287 -0.248 0.000 0.928 538 K CB 0.453 32.621 32.500 -0.553 0.000 1.013 538 K HN -0.150 nan 8.250 nan 0.000 0.473 539 K N 2.846 123.111 120.400 -0.226 0.000 2.263 539 K HA 0.221 3.306 4.320 -2.058 0.000 0.272 539 K C -0.941 175.522 176.600 -0.227 0.000 1.033 539 K CA -0.304 55.918 56.287 -0.108 0.000 0.884 539 K CB 0.751 33.197 32.500 -0.090 0.000 1.107 539 K HN 0.458 nan 8.250 nan 0.000 0.460 540 Y N 2.551 122.870 120.300 0.030 0.000 2.352 540 Y HA 0.276 3.566 4.550 -2.101 0.000 0.326 540 Y C -1.779 174.045 175.900 -0.127 0.000 1.166 540 Y CA -2.363 55.727 58.100 -0.016 0.000 1.182 540 Y CB 0.738 39.249 38.460 0.085 0.000 1.216 540 Y HN 0.434 nan 8.280 nan 0.000 0.474 541 P HA 0.116 nan 4.420 nan 0.000 0.269 541 P C -1.111 176.036 177.300 -0.254 0.000 1.215 541 P CA -0.146 62.636 63.100 -0.530 0.000 0.780 541 P CB 0.724 31.712 31.700 -1.186 0.000 0.898 542 L N 2.584 123.700 121.223 -0.179 0.000 2.385 542 L HA 0.547 3.653 4.340 -2.058 0.000 0.273 542 L C -1.368 175.692 176.870 0.316 0.000 0.990 542 L CA -1.090 53.799 54.840 0.082 0.000 0.821 542 L CB 1.632 43.743 42.059 0.087 0.000 1.279 542 L HN 0.139 nan 8.230 nan 0.000 0.412 543 L N 5.296 126.715 121.223 0.326 0.000 2.287 543 L HA 0.483 3.588 4.340 -2.058 0.000 0.287 543 L C -1.107 176.002 176.870 0.398 0.000 1.022 543 L CA -0.289 54.798 54.840 0.413 0.000 0.814 543 L CB 1.484 43.737 42.059 0.323 0.000 1.217 543 L HN 0.582 nan 8.230 nan 0.000 0.420 544 L N 5.249 126.764 121.223 0.485 0.000 2.283 544 L HA 0.359 3.464 4.340 -2.058 0.000 0.287 544 L C -0.503 176.624 176.870 0.428 0.000 1.073 544 L CA 0.218 55.337 54.840 0.466 0.000 0.822 544 L CB 0.471 42.855 42.059 0.542 0.000 1.186 544 L HN 0.612 nan 8.230 nan 0.000 0.436 545 D N 4.383 125.008 120.400 0.374 0.000 2.347 545 D HA 0.314 3.720 4.640 -2.058 0.000 0.235 545 D C -0.829 175.565 176.300 0.157 0.000 1.149 545 D CA -0.101 54.043 54.000 0.239 0.000 0.850 545 D CB 1.188 42.195 40.800 0.345 0.000 1.061 545 D HN 0.306 nan 8.370 nan 0.000 0.487 546 V N 3.618 123.548 119.914 0.028 0.000 2.680 546 V HA 0.503 3.388 4.120 -2.058 0.000 0.309 546 V C -0.753 175.453 176.094 0.186 0.000 1.052 546 V CA -0.528 61.864 62.300 0.154 0.000 0.908 546 V CB 1.821 33.748 31.823 0.173 0.000 1.001 546 V HN 0.688 nan 8.190 nan 0.000 0.431 547 Y N 4.441 124.824 120.300 0.138 0.000 3.059 547 Y HA 0.478 3.792 4.550 -2.060 0.000 0.212 547 Y C 1.894 177.948 175.900 0.257 0.000 0.947 547 Y CA 0.324 58.535 58.100 0.185 0.000 1.571 547 Y CB 0.467 39.020 38.460 0.154 0.000 1.432 547 Y HN 1.182 nan 8.280 nan 0.000 0.450 548 A N 1.299 124.265 122.820 0.245 0.000 2.861 548 A HA -0.219 2.866 4.320 -2.058 0.000 0.261 548 A C 0.729 178.226 177.584 -0.145 0.000 1.351 548 A CA 0.926 53.023 52.037 0.100 0.000 0.904 548 A CB -2.519 16.638 19.000 0.263 0.000 1.076 548 A HN 0.780 nan 8.150 nan 0.000 0.729 549 G N -0.936 107.557 108.800 -0.512 0.000 2.606 549 G HA2 0.474 3.199 3.960 -2.058 0.000 0.252 549 G HA3 0.474 3.199 3.960 -2.058 0.000 0.252 549 G C -2.211 172.229 174.900 -0.767 0.000 1.206 549 G CA -0.827 43.557 45.100 -1.192 0.000 0.861 549 G HN 0.281 nan 8.290 nan 0.000 0.561 550 P HA 0.022 nan 4.420 nan 0.000 0.260 550 P C 0.701 177.746 177.300 -0.426 0.000 1.172 550 P CA 0.170 62.878 63.100 -0.654 0.000 0.760 550 P CB 0.549 31.378 31.700 -1.452 0.000 0.773 551 C N 2.583 121.710 119.300 -0.289 0.000 4.358 551 C HA -0.168 3.057 4.460 -2.058 0.000 0.287 551 C C 1.038 175.941 174.990 -0.145 0.000 1.414 551 C CA 1.167 60.008 59.018 -0.295 0.000 1.949 551 C CB -2.713 24.752 27.740 -0.458 0.000 1.274 551 C HN 0.800 nan 8.230 nan 0.000 0.793 552 S N 0.076 115.609 115.700 -0.278 0.000 2.593 552 S HA 0.494 3.729 4.470 -2.058 0.000 0.269 552 S C -0.598 173.990 174.600 -0.021 0.000 1.334 552 S CA 0.251 58.226 58.200 -0.375 0.000 1.015 552 S CB 1.536 64.067 63.200 -1.114 0.000 0.912 552 S HN 0.829 nan 8.310 nan 0.000 0.541 553 Q N 0.199 120.085 119.800 0.143 0.000 2.275 553 Q HA 0.376 3.481 4.340 -2.058 0.000 0.258 553 Q C -0.710 175.412 176.000 0.204 0.000 0.960 553 Q CA -0.646 55.288 55.803 0.219 0.000 0.801 553 Q CB 1.092 30.034 28.738 0.340 0.000 1.302 553 Q HN 0.696 nan 8.270 nan 0.000 0.433 554 K N 1.137 121.650 120.400 0.188 0.000 2.402 554 K HA 0.344 3.430 4.320 -2.058 0.000 0.203 554 K C -0.446 176.266 176.600 0.187 0.000 1.077 554 K CA 0.275 56.685 56.287 0.205 0.000 1.051 554 K CB 1.597 34.243 32.500 0.244 0.000 0.907 554 K HN 0.520 nan 8.250 nan 0.000 0.554 555 A N 2.925 125.857 122.820 0.187 0.000 2.253 555 A HA 0.443 3.529 4.320 -2.058 0.000 0.316 555 A C -0.768 176.884 177.584 0.113 0.000 1.327 555 A CA -0.423 51.722 52.037 0.181 0.000 0.917 555 A CB 0.139 19.300 19.000 0.269 0.000 1.162 555 A HN 0.236 nan 8.150 nan 0.000 0.535 556 D N 0.041 120.483 120.400 0.071 0.000 2.643 556 D HA 0.361 3.766 4.640 -2.058 0.000 0.283 556 D C 0.330 176.638 176.300 0.012 0.000 1.242 556 D CA 0.218 54.242 54.000 0.041 0.000 0.863 556 D CB 0.318 41.125 40.800 0.011 0.000 1.382 556 D HN 0.209 nan 8.370 nan 0.000 0.444 557 T N -2.370 112.213 114.554 0.048 0.000 3.235 557 T HA 0.282 3.397 4.350 -2.058 0.000 0.251 557 T C 0.448 175.122 174.700 -0.044 0.000 1.060 557 T CA -0.336 61.793 62.100 0.048 0.000 0.949 557 T CB -0.668 68.280 68.868 0.133 0.000 1.020 557 T HN 0.258 nan 8.240 nan 0.000 0.564 558 V N 2.686 122.465 119.914 -0.225 0.000 2.555 558 V HA 0.325 3.210 4.120 -2.058 0.000 0.286 558 V C 0.069 176.112 176.094 -0.084 0.000 1.044 558 V CA -1.030 61.105 62.300 -0.275 0.000 1.026 558 V CB 0.079 31.600 31.823 -0.503 0.000 0.981 558 V HN 0.576 nan 8.190 nan 0.000 0.480 559 F N 6.776 126.640 119.950 -0.143 0.000 2.467 559 F HA 0.481 3.773 4.527 -2.058 0.000 0.362 559 F C 0.579 176.327 175.800 -0.086 0.000 1.090 559 F CA -0.070 57.868 58.000 -0.103 0.000 1.202 559 F CB 0.214 39.162 39.000 -0.087 0.000 1.113 559 F HN 0.418 nan 8.300 nan 0.000 0.541 560 R N 6.608 126.638 120.500 -0.783 0.000 2.621 560 R HA 0.528 3.633 4.340 -2.058 0.000 0.292 560 R C -1.504 174.353 176.300 -0.738 0.000 0.969 560 R CA -1.021 54.759 56.100 -0.533 0.000 0.887 560 R CB 2.001 32.138 30.300 -0.272 0.000 1.180 560 R HN 0.675 nan 8.270 nan 0.000 0.450 561 L N 4.565 125.554 121.223 -0.390 0.000 2.301 561 L HA 0.389 3.494 4.340 -2.058 0.000 0.278 561 L C -0.574 176.262 176.870 -0.055 0.000 1.022 561 L CA -0.578 54.086 54.840 -0.294 0.000 0.854 561 L CB 0.424 42.461 42.059 -0.038 0.000 1.226 561 L HN 0.765 nan 8.230 nan 0.000 0.429 562 N N 0.439 119.013 118.700 -0.210 0.000 3.418 562 N HA 0.154 3.659 4.740 -2.058 0.000 0.316 562 N C 0.099 175.254 175.510 -0.592 0.000 1.601 562 N CA -0.889 51.919 53.050 -0.403 0.000 0.805 562 N CB 0.200 38.588 38.487 -0.165 0.000 1.873 562 N HN 0.284 nan 8.380 nan 0.000 0.615 563 W N 0.616 121.356 121.300 -0.933 0.000 2.381 563 W HA 0.243 3.674 4.660 -2.048 0.000 0.301 563 W C 2.060 178.541 176.519 -0.064 0.000 1.205 563 W CA 2.734 59.778 57.345 -0.502 0.000 1.285 563 W CB -0.995 28.279 29.460 -0.310 0.000 1.133 563 W HN 0.711 nan 8.180 nan 0.000 0.521 564 A N -0.173 122.610 122.820 -0.062 0.000 1.948 564 A HA -0.256 2.830 4.320 -2.058 0.000 0.220 564 A C 1.948 179.420 177.584 -0.185 0.000 1.177 564 A CA 2.781 54.727 52.037 -0.152 0.000 0.636 564 A CB -1.344 17.648 19.000 -0.014 0.000 0.815 564 A HN 0.324 nan 8.150 nan 0.000 0.449 565 T N -1.314 113.137 114.554 -0.172 0.000 2.652 565 T HA -0.226 2.890 4.350 -2.058 0.000 0.267 565 T C 1.774 176.485 174.700 0.017 0.000 1.039 565 T CA 1.675 63.647 62.100 -0.214 0.000 1.153 565 T CB -0.598 67.946 68.868 -0.540 0.000 0.863 565 T HN 0.690 nan 8.240 nan 0.000 0.428 566 Y N 2.111 122.501 120.300 0.151 0.000 2.097 566 Y HA -0.165 3.155 4.550 -2.051 0.000 0.282 566 Y C 2.062 177.961 175.900 -0.001 0.000 1.152 566 Y CA 1.243 59.465 58.100 0.203 0.000 1.136 566 Y CB -0.599 37.970 38.460 0.182 0.000 0.975 566 Y HN 0.091 nan 8.280 nan 0.000 0.498 567 L N 0.407 121.199 121.223 -0.718 0.000 2.079 567 L HA -0.228 2.877 4.340 -2.058 0.000 0.210 567 L C 2.879 179.508 176.870 -0.401 0.000 1.081 567 L CA 1.212 55.568 54.840 -0.807 0.000 0.752 567 L CB -0.964 40.660 42.059 -0.725 0.000 0.896 567 L HN 0.458 nan 8.230 nan 0.000 0.433 568 A N -1.028 121.634 122.820 -0.263 0.000 1.854 568 A HA -0.185 2.901 4.320 -2.058 0.000 0.214 568 A C 2.530 180.052 177.584 -0.103 0.000 1.192 568 A CA 1.741 53.679 52.037 -0.165 0.000 0.611 568 A CB -0.740 18.158 19.000 -0.169 0.000 0.832 568 A HN 0.318 nan 8.150 nan 0.000 0.442 569 S N -1.179 114.479 115.700 -0.070 0.000 2.356 569 S HA -0.131 3.104 4.470 -2.058 0.000 0.223 569 S C 1.967 176.592 174.600 0.043 0.000 1.032 569 S CA 2.388 60.596 58.200 0.014 0.000 1.005 569 S CB -0.395 62.865 63.200 0.100 0.000 0.867 569 S HN 0.592 nan 8.310 nan 0.000 0.449 570 T N 0.840 115.402 114.554 0.013 0.000 3.021 570 T HA 0.206 3.321 4.350 -2.058 0.000 0.245 570 T C 1.357 176.044 174.700 -0.021 0.000 1.028 570 T CA 0.441 62.572 62.100 0.052 0.000 1.139 570 T CB -0.065 68.926 68.868 0.205 0.000 0.884 570 T HN 0.270 nan 8.240 nan 0.000 0.457 571 E N 1.237 121.333 120.200 -0.173 0.000 2.474 571 E HA 0.192 3.307 4.350 -2.058 0.000 0.195 571 E C -0.013 176.568 176.600 -0.033 0.000 1.039 571 E CA -0.092 56.234 56.400 -0.123 0.000 0.881 571 E CB -0.266 29.276 29.700 -0.264 0.000 0.970 571 E HN 0.530 nan 8.360 nan 0.000 0.486 572 N N 0.535 119.230 118.700 -0.009 0.000 2.735 572 N HA -0.196 3.309 4.740 -2.058 0.000 0.248 572 N C -0.790 174.801 175.510 0.135 0.000 1.083 572 N CA 0.221 53.332 53.050 0.101 0.000 0.703 572 N CB -1.251 37.340 38.487 0.175 0.000 1.005 572 N HN 0.190 nan 8.380 nan 0.000 0.550 573 I N 0.985 121.562 120.570 0.012 0.000 2.359 573 I HA 0.320 3.255 4.170 -2.058 0.000 0.294 573 I C 0.637 176.727 176.117 -0.045 0.000 0.987 573 I CA -0.789 60.520 61.300 0.015 0.000 1.225 573 I CB 1.153 39.176 38.000 0.037 0.000 1.366 573 I HN 0.024 nan 8.210 nan 0.000 0.466 574 I N 6.545 127.093 120.570 -0.036 0.000 2.471 574 I HA 0.103 3.039 4.170 -2.058 0.000 0.286 574 I C -0.295 175.802 176.117 -0.032 0.000 1.079 574 I CA -0.263 60.976 61.300 -0.102 0.000 1.398 574 I CB 0.652 38.591 38.000 -0.103 0.000 1.403 574 I HN 0.219 nan 8.210 nan 0.000 0.530 575 V N 6.873 126.756 119.914 -0.052 0.000 2.311 575 V HA 0.583 3.468 4.120 -2.058 0.000 0.275 575 V C 0.421 176.539 176.094 0.039 0.000 1.022 575 V CA -0.466 61.855 62.300 0.034 0.000 0.830 575 V CB 0.943 32.781 31.823 0.024 0.000 1.012 575 V HN 0.836 nan 8.190 nan 0.000 0.452 576 A N 4.052 126.922 122.820 0.083 0.000 2.325 576 A HA 0.919 4.004 4.320 -2.058 0.000 0.333 576 A C -0.033 177.715 177.584 0.274 0.000 1.155 576 A CA -0.457 51.620 52.037 0.065 0.000 0.814 576 A CB 1.455 20.298 19.000 -0.263 0.000 1.206 576 A HN 0.681 nan 8.150 nan 0.000 0.482 577 S N 0.003 115.912 115.700 0.350 0.000 2.548 577 S HA 0.751 3.986 4.470 -2.058 0.000 0.286 577 S C -1.389 173.586 174.600 0.625 0.000 1.098 577 S CA -0.298 58.164 58.200 0.436 0.000 0.930 577 S CB 1.292 64.683 63.200 0.318 0.000 1.070 577 S HN 0.660 nan 8.310 nan 0.000 0.480 578 F N 1.791 121.989 119.950 0.413 0.000 2.547 578 F HA 0.457 3.752 4.527 -2.053 0.000 0.316 578 F C -1.347 174.642 175.800 0.314 0.000 1.121 578 F CA -0.781 57.469 58.000 0.416 0.000 0.911 578 F CB 1.482 40.677 39.000 0.325 0.000 1.179 578 F HN 0.393 nan 8.300 nan 0.000 0.443 579 D N 4.617 124.826 120.400 -0.319 0.000 2.473 579 D HA 0.359 3.764 4.640 -2.058 0.000 0.226 579 D C 0.337 176.427 176.300 -0.351 0.000 1.089 579 D CA 0.125 54.023 54.000 -0.169 0.000 0.883 579 D CB 1.397 42.221 40.800 0.041 0.000 1.029 579 D HN 0.743 nan 8.370 nan 0.000 0.517 580 G N 1.149 109.860 108.800 -0.148 0.000 2.736 580 G HA2 0.318 3.044 3.960 -2.058 0.000 0.229 580 G HA3 0.318 3.044 3.960 -2.058 0.000 0.229 580 G C 0.089 175.054 174.900 0.108 0.000 1.380 580 G CA -0.768 44.286 45.100 -0.077 0.000 1.040 580 G HN 0.276 nan 8.290 nan 0.000 0.568 581 R N -0.689 119.851 120.500 0.067 0.000 2.585 581 R HA 0.349 3.455 4.340 -2.058 0.000 0.275 581 R C 1.271 177.659 176.300 0.146 0.000 1.018 581 R CA 1.559 57.766 56.100 0.179 0.000 1.072 581 R CB 0.380 30.770 30.300 0.150 0.000 0.953 581 R HN 1.082 nan 8.270 nan 0.000 0.419 582 G N 1.180 110.049 108.800 0.115 0.000 2.254 582 G HA2 -0.330 2.395 3.960 -2.058 0.000 0.225 582 G HA3 -0.330 2.395 3.960 -2.058 0.000 0.225 582 G C 0.146 175.025 174.900 -0.034 0.000 1.003 582 G CA 0.120 45.251 45.100 0.053 0.000 0.622 582 G HN 0.735 nan 8.290 nan 0.000 0.507 583 S N 0.496 116.190 115.700 -0.011 0.000 2.584 583 S HA 0.617 3.853 4.470 -2.058 0.000 0.270 583 S C 0.844 175.387 174.600 -0.094 0.000 1.346 583 S CA 0.509 58.679 58.200 -0.050 0.000 1.018 583 S CB 1.723 64.937 63.200 0.025 0.000 0.899 583 S HN 1.690 nan 8.310 nan 0.000 0.542 584 G N -0.646 108.061 108.800 -0.156 0.000 2.511 584 G HA2 0.515 3.240 3.960 -2.058 0.000 0.316 584 G HA3 0.515 3.240 3.960 -2.058 0.000 0.316 584 G C -0.806 173.961 174.900 -0.222 0.000 1.210 584 G CA -1.061 43.790 45.100 -0.415 0.000 0.969 584 G HN 1.061 nan 8.290 nan 0.000 0.492 585 Y N -2.403 117.878 120.300 -0.032 0.000 4.879 585 Y HA -0.231 3.083 4.550 -2.059 0.000 0.247 585 Y C 1.410 177.304 175.900 -0.010 0.000 0.985 585 Y CA 0.955 59.048 58.100 -0.010 0.000 2.000 585 Y CB -1.831 36.643 38.460 0.024 0.000 1.519 585 Y HN 0.543 nan 8.280 nan 0.000 0.613 586 Q N 0.258 120.070 119.800 0.019 0.000 2.093 586 Q HA 0.511 3.616 4.340 -2.058 0.000 0.217 586 Q C 0.819 176.708 176.000 -0.184 0.000 0.785 586 Q CA 0.220 56.042 55.803 0.032 0.000 1.038 586 Q CB 1.981 30.734 28.738 0.025 0.000 1.190 586 Q HN 0.538 nan 8.270 nan 0.000 0.468 587 G N 0.771 109.329 108.800 -0.403 0.000 2.619 587 G HA2 -0.171 2.554 3.960 -2.058 0.000 0.686 587 G HA3 -0.171 2.554 3.960 -2.058 0.000 0.686 587 G C -0.598 173.938 174.900 -0.606 0.000 1.256 587 G CA -0.573 44.029 45.100 -0.829 0.000 0.826 587 G HN 0.072 nan 8.290 nan 0.000 0.619 588 D N 0.283 120.290 120.400 -0.655 0.000 2.264 588 D HA -0.083 3.322 4.640 -2.058 0.000 0.208 588 D C 2.467 178.510 176.300 -0.427 0.000 0.966 588 D CA 1.270 54.850 54.000 -0.700 0.000 0.864 588 D CB 0.103 40.475 40.800 -0.712 0.000 0.933 588 D HN 0.599 nan 8.370 nan 0.000 0.499 589 K N 1.462 121.658 120.400 -0.340 0.000 2.063 589 K HA -0.150 2.935 4.320 -2.058 0.000 0.208 589 K C 1.965 178.495 176.600 -0.117 0.000 1.048 589 K CA 0.974 57.148 56.287 -0.190 0.000 0.928 589 K CB -0.629 31.767 32.500 -0.174 0.000 0.713 589 K HN 0.221 nan 8.250 nan 0.000 0.442 590 I N 0.770 121.254 120.570 -0.143 0.000 2.235 590 I HA -0.162 2.773 4.170 -2.058 0.000 0.241 590 I C 2.935 179.031 176.117 -0.036 0.000 1.085 590 I CA 1.076 62.359 61.300 -0.029 0.000 1.378 590 I CB -0.165 37.824 38.000 -0.020 0.000 1.076 590 I HN 0.158 nan 8.210 nan 0.000 0.415 591 M N 0.091 119.588 119.600 -0.172 0.000 2.099 591 M HA -0.218 3.027 4.480 -2.058 0.000 0.262 591 M C 2.033 178.324 176.300 -0.015 0.000 1.067 591 M CA 1.865 57.067 55.300 -0.164 0.000 1.124 591 M CB -0.217 32.153 32.600 -0.383 0.000 1.353 591 M HN 0.225 nan 8.290 nan 0.000 0.410 592 H N -0.089 118.859 119.070 -0.202 0.000 2.547 592 H HA 0.244 3.566 4.556 -2.058 0.000 0.266 592 H C 1.824 177.160 175.328 0.013 0.000 0.988 592 H CA 0.732 56.664 56.048 -0.193 0.000 1.147 592 H CB -0.524 29.043 29.762 -0.324 0.000 1.365 592 H HN 0.502 nan 8.280 nan 0.000 0.589 593 A N 1.266 124.183 122.820 0.162 0.000 2.019 593 A HA -0.096 2.989 4.320 -2.058 0.000 0.219 593 A C 1.908 179.696 177.584 0.340 0.000 1.164 593 A CA 1.196 53.349 52.037 0.194 0.000 0.644 593 A CB -0.414 18.666 19.000 0.134 0.000 0.805 593 A HN 0.359 nan 8.150 nan 0.000 0.449 594 I N -1.868 118.875 120.570 0.288 0.000 3.891 594 I HA 0.144 3.079 4.170 -2.058 0.000 0.331 594 I C 0.068 176.278 176.117 0.155 0.000 1.406 594 I CA -0.769 60.661 61.300 0.215 0.000 1.139 594 I CB -1.953 36.142 38.000 0.158 0.000 1.056 594 I HN 0.244 nan 8.210 nan 0.000 0.399 595 N N 2.902 121.739 118.700 0.229 0.000 2.411 595 N HA -0.052 3.453 4.740 -2.058 0.000 0.261 595 N C 0.073 175.627 175.510 0.074 0.000 1.248 595 N CA 0.221 53.406 53.050 0.225 0.000 0.885 595 N CB 0.297 38.884 38.487 0.168 0.000 1.062 595 N HN 0.307 nan 8.380 nan 0.000 0.471 596 R N 0.752 121.276 120.500 0.041 0.000 3.953 596 R HA -0.203 2.902 4.340 -2.058 0.000 0.340 596 R C -0.161 176.063 176.300 -0.128 0.000 1.195 596 R CA 0.822 56.908 56.100 -0.023 0.000 0.929 596 R CB -1.128 29.169 30.300 -0.005 0.000 1.402 596 R HN 0.643 nan 8.270 nan 0.000 0.540 597 R N 0.599 121.013 120.500 -0.144 0.000 2.522 597 R HA 0.287 3.392 4.340 -2.058 0.000 0.314 597 R C -0.638 175.657 176.300 -0.009 0.000 1.178 597 R CA -0.217 55.669 56.100 -0.357 0.000 1.294 597 R CB 0.561 30.611 30.300 -0.415 0.000 1.345 597 R HN 0.045 nan 8.270 nan 0.000 0.710 598 L N -0.080 121.223 121.223 0.134 0.000 2.461 598 L HA 0.327 3.432 4.340 -2.058 0.000 0.272 598 L C 1.274 178.432 176.870 0.479 0.000 1.197 598 L CA 0.862 55.825 54.840 0.204 0.000 0.836 598 L CB 0.809 42.767 42.059 -0.168 0.000 1.105 598 L HN 0.651 nan 8.230 nan 0.000 0.477 599 G N 0.893 110.009 108.800 0.528 0.000 2.132 599 G HA2 -0.262 2.463 3.960 -2.058 0.000 0.228 599 G HA3 -0.262 2.463 3.960 -2.058 0.000 0.228 599 G C 0.326 175.324 174.900 0.164 0.000 1.000 599 G CA 0.419 45.748 45.100 0.381 0.000 0.693 599 G HN 0.843 nan 8.290 nan 0.000 0.515 600 T N -3.427 111.181 114.554 0.090 0.000 2.638 600 T HA 0.528 3.643 4.350 -2.058 0.000 0.169 600 T C 1.565 176.237 174.700 -0.047 0.000 0.790 600 T CA 0.809 62.840 62.100 -0.115 0.000 1.151 600 T CB -0.008 68.575 68.868 -0.475 0.000 2.581 600 T HN 0.174 nan 8.240 nan 0.000 0.391 601 F N 3.116 123.112 119.950 0.077 0.000 2.126 601 F HA 0.045 3.337 4.527 -2.059 0.000 0.299 601 F C 2.619 178.453 175.800 0.057 0.000 1.096 601 F CA 1.417 59.446 58.000 0.049 0.000 1.255 601 F CB -1.111 37.913 39.000 0.040 0.000 0.997 601 F HN 0.626 nan 8.300 nan 0.000 0.479 602 E N 0.116 120.472 120.200 0.260 0.000 2.085 602 E HA -0.166 2.949 4.350 -2.058 0.000 0.194 602 E C 2.140 178.854 176.600 0.190 0.000 0.994 602 E CA 1.797 58.328 56.400 0.218 0.000 0.801 602 E CB -1.041 28.806 29.700 0.245 0.000 0.743 602 E HN 0.241 nan 8.360 nan 0.000 0.453 603 V N 1.460 121.466 119.914 0.153 0.000 2.295 603 V HA -0.249 2.636 4.120 -2.058 0.000 0.246 603 V C 2.257 178.385 176.094 0.056 0.000 1.049 603 V CA 2.279 64.620 62.300 0.069 0.000 1.024 603 V CB -0.610 31.211 31.823 -0.003 0.000 0.648 603 V HN 0.234 nan 8.190 nan 0.000 0.447 604 E N -0.119 120.130 120.200 0.082 0.000 2.110 604 E HA -0.222 2.894 4.350 -2.058 0.000 0.193 604 E C 1.897 178.519 176.600 0.036 0.000 0.988 604 E CA 1.434 57.877 56.400 0.072 0.000 0.804 604 E CB -0.101 29.679 29.700 0.133 0.000 0.745 604 E HN 0.597 nan 8.360 nan 0.000 0.458 605 D N -0.164 120.272 120.400 0.060 0.000 2.194 605 D HA -0.098 3.308 4.640 -2.058 0.000 0.204 605 D C 1.894 178.160 176.300 -0.056 0.000 0.964 605 D CA 0.551 54.553 54.000 0.003 0.000 0.846 605 D CB -0.021 40.838 40.800 0.098 0.000 0.962 605 D HN 0.098 nan 8.370 nan 0.000 0.490 606 Q N 0.374 120.218 119.800 0.073 0.000 2.084 606 Q HA -0.059 3.046 4.340 -2.058 0.000 0.202 606 Q C 2.531 178.569 176.000 0.064 0.000 0.978 606 Q CA 0.621 56.475 55.803 0.085 0.000 0.844 606 Q CB -0.172 28.645 28.738 0.132 0.000 0.898 606 Q HN 0.419 nan 8.270 nan 0.000 0.426 607 I N 0.599 121.218 120.570 0.081 0.000 2.202 607 I HA -0.258 2.677 4.170 -2.058 0.000 0.242 607 I C 2.430 178.516 176.117 -0.052 0.000 1.091 607 I CA 1.225 62.632 61.300 0.178 0.000 1.368 607 I CB -0.250 37.831 38.000 0.135 0.000 1.058 607 I HN 0.138 nan 8.210 nan 0.000 0.410 608 E N 1.549 121.652 120.200 -0.162 0.000 2.085 608 E HA -0.226 2.889 4.350 -2.058 0.000 0.194 608 E C 2.112 178.399 176.600 -0.522 0.000 0.994 608 E CA 1.703 57.935 56.400 -0.279 0.000 0.801 608 E CB -0.249 29.302 29.700 -0.249 0.000 0.743 608 E HN 0.406 nan 8.360 nan 0.000 0.453 609 A N 1.002 123.335 122.820 -0.812 0.000 1.884 609 A HA -0.212 2.873 4.320 -2.058 0.000 0.219 609 A C 2.515 179.345 177.584 -1.256 0.000 1.197 609 A CA 2.788 53.986 52.037 -1.399 0.000 0.637 609 A CB -1.344 16.712 19.000 -1.574 0.000 0.827 609 A HN 0.436 nan 8.150 nan 0.000 0.450 610 A N -0.482 121.990 122.820 -0.580 0.000 1.902 610 A HA -0.191 2.895 4.320 -2.058 0.000 0.217 610 A C 2.233 179.632 177.584 -0.307 0.000 1.181 610 A CA 1.599 53.459 52.037 -0.296 0.000 0.623 610 A CB -0.514 18.308 19.000 -0.298 0.000 0.818 610 A HN 0.594 nan 8.150 nan 0.000 0.443 611 R N -0.759 119.549 120.500 -0.320 0.000 2.083 611 R HA -0.157 2.948 4.340 -2.058 0.000 0.237 611 R C 2.394 178.539 176.300 -0.260 0.000 1.137 611 R CA 1.541 57.490 56.100 -0.250 0.000 0.951 611 R CB -0.403 29.773 30.300 -0.207 0.000 0.851 611 R HN 0.565 nan 8.270 nan 0.000 0.434 612 Q N -0.104 119.473 119.800 -0.371 0.000 2.084 612 Q HA -0.122 2.983 4.340 -2.058 0.000 0.202 612 Q C 2.113 177.973 176.000 -0.234 0.000 0.978 612 Q CA 1.350 56.952 55.803 -0.335 0.000 0.844 612 Q CB -0.219 28.241 28.738 -0.463 0.000 0.898 612 Q HN 0.276 nan 8.270 nan 0.000 0.426 613 F N 1.452 121.218 119.950 -0.308 0.000 2.102 613 F HA -0.162 3.100 4.527 -2.108 0.000 0.298 613 F C 2.749 178.324 175.800 -0.374 0.000 1.105 613 F CA 1.322 59.121 58.000 -0.336 0.000 1.239 613 F CB -1.401 37.455 39.000 -0.240 0.000 0.991 613 F HN 0.088 nan 8.300 nan 0.000 0.474 614 S N -0.183 115.458 115.700 -0.098 0.000 2.399 614 S HA -0.183 3.052 4.470 -2.058 0.000 0.231 614 S C 1.868 176.353 174.600 -0.191 0.000 1.022 614 S CA 0.948 59.051 58.200 -0.161 0.000 0.983 614 S CB -0.613 62.502 63.200 -0.141 0.000 0.803 614 S HN 0.371 nan 8.310 nan 0.000 0.480 615 K N 0.642 120.937 120.400 -0.175 0.000 2.283 615 K HA 0.157 3.242 4.320 -2.058 0.000 0.202 615 K C 1.860 178.359 176.600 -0.168 0.000 1.048 615 K CA 1.001 57.198 56.287 -0.149 0.000 0.948 615 K CB -0.317 32.108 32.500 -0.125 0.000 0.742 615 K HN 0.462 nan 8.250 nan 0.000 0.458 616 M N -0.673 118.769 119.600 -0.264 0.000 2.549 616 M HA -0.052 3.194 4.480 -2.058 0.000 0.260 616 M C 1.139 177.224 176.300 -0.358 0.000 1.076 616 M CA 1.151 56.255 55.300 -0.328 0.000 1.090 616 M CB 0.209 32.499 32.600 -0.516 0.000 1.418 616 M HN 0.443 nan 8.290 nan 0.000 0.486 617 G N 0.538 109.136 108.800 -0.336 0.000 2.175 617 G HA2 -0.285 2.440 3.960 -2.058 0.000 0.244 617 G HA3 -0.285 2.440 3.960 -2.058 0.000 0.244 617 G C 0.380 175.264 174.900 -0.028 0.000 0.982 617 G CA 0.260 45.279 45.100 -0.134 0.000 0.641 617 G HN 0.645 nan 8.290 nan 0.000 0.527 618 F N -0.398 119.604 119.950 0.088 0.000 2.698 618 F HA 0.771 5.355 4.527 0.095 0.000 0.304 618 F C 0.043 175.953 175.800 0.182 0.000 1.108 618 F CA -1.050 57.038 58.000 0.146 0.000 1.263 618 F CB 0.407 39.559 39.000 0.254 0.000 1.013 618 F HN 0.066 nan 8.300 nan 0.000 0.532 619 V N 1.047 120.978 119.914 0.028 0.000 2.555 619 V HA 0.235 3.120 4.120 -2.058 0.000 0.302 619 V C -0.775 175.303 176.094 -0.027 0.000 1.038 619 V CA -0.757 61.564 62.300 0.034 0.000 0.887 619 V CB 1.797 33.585 31.823 -0.057 0.000 0.991 619 V HN 0.069 nan 8.190 nan 0.000 0.434 620 D N 3.534 123.910 120.400 -0.039 0.000 2.344 620 D HA 0.107 3.512 4.640 -2.058 0.000 0.253 620 D C 1.069 177.315 176.300 -0.090 0.000 1.255 620 D CA 0.063 54.014 54.000 -0.082 0.000 0.894 620 D CB 0.758 41.485 40.800 -0.122 0.000 1.067 620 D HN 0.434 nan 8.370 nan 0.000 0.492 621 N N 3.072 121.721 118.700 -0.084 0.000 2.258 621 N HA -0.163 3.342 4.740 -2.058 0.000 0.187 621 N C 1.079 176.544 175.510 -0.076 0.000 1.012 621 N CA 0.986 53.981 53.050 -0.092 0.000 0.870 621 N CB 0.099 38.536 38.487 -0.084 0.000 0.977 621 N HN 0.503 nan 8.380 nan 0.000 0.434 622 K N -0.121 120.244 120.400 -0.058 0.000 2.361 622 K HA 0.150 3.235 4.320 -2.058 0.000 0.196 622 K C 0.156 176.757 176.600 0.003 0.000 1.039 622 K CA 0.406 56.677 56.287 -0.027 0.000 1.001 622 K CB 0.443 32.929 32.500 -0.024 0.000 0.795 622 K HN 0.034 nan 8.250 nan 0.000 0.495 623 R N 1.200 121.675 120.500 -0.041 0.000 2.564 623 R HA 0.368 3.473 4.340 -2.058 0.000 0.282 623 R C -1.074 175.203 176.300 -0.039 0.000 1.573 623 R CA -0.122 55.961 56.100 -0.030 0.000 1.588 623 R CB 0.665 30.782 30.300 -0.305 0.000 1.154 623 R HN -0.009 nan 8.270 nan 0.000 0.606 624 I N 1.234 121.887 120.570 0.139 0.000 2.436 624 I HA 0.582 3.518 4.170 -2.058 0.000 0.289 624 I C -0.204 176.160 176.117 0.412 0.000 1.010 624 I CA -0.739 60.654 61.300 0.154 0.000 1.098 624 I CB 2.042 39.953 38.000 -0.149 0.000 1.266 624 I HN 0.396 nan 8.210 nan 0.000 0.434 625 A N 6.740 129.919 122.820 0.598 0.000 2.435 625 A HA 0.939 4.024 4.320 -2.058 0.000 0.296 625 A C -1.286 176.694 177.584 0.660 0.000 1.147 625 A CA -0.644 51.757 52.037 0.607 0.000 0.775 625 A CB 2.076 21.322 19.000 0.409 0.000 1.340 625 A HN 0.708 nan 8.150 nan 0.000 0.427 626 I N 0.428 121.298 120.570 0.500 0.000 2.692 626 I HA 0.696 3.631 4.170 -2.058 0.000 0.293 626 I C -1.890 174.499 176.117 0.452 0.000 1.200 626 I CA -0.444 61.078 61.300 0.369 0.000 1.036 626 I CB 1.588 39.521 38.000 -0.112 0.000 1.258 626 I HN 0.928 nan 8.210 nan 0.000 0.421 627 W N 7.007 128.448 121.300 0.234 0.000 3.118 627 W HA 0.874 4.295 4.660 -2.065 0.000 0.328 627 W C -1.465 175.199 176.519 0.241 0.000 1.239 627 W CA -1.058 56.427 57.345 0.233 0.000 1.176 627 W CB 1.102 30.745 29.460 0.306 0.000 1.433 627 W HN 0.834 nan 8.180 nan 0.000 0.562 628 G N 0.707 109.419 108.800 -0.148 0.000 2.601 628 G HA2 0.440 3.166 3.960 -2.058 0.000 0.291 628 G HA3 0.440 3.166 3.960 -2.058 0.000 0.291 628 G C -2.638 172.153 174.900 -0.183 0.000 1.456 628 G CA -0.773 44.061 45.100 -0.444 0.000 0.804 628 G HN 0.595 nan 8.290 nan 0.000 0.499 629 W N 1.002 122.086 121.300 -0.359 0.000 2.570 629 W HA 0.560 3.984 4.660 -2.061 0.000 0.337 629 W C 0.886 177.327 176.519 -0.130 0.000 1.067 629 W CA 0.645 57.872 57.345 -0.196 0.000 1.229 629 W CB 1.585 30.922 29.460 -0.205 0.000 1.355 629 W HN 1.032 nan 8.180 nan 0.000 0.555 630 S N 1.556 117.407 115.700 0.252 0.000 4.140 630 S HA -0.426 2.809 4.470 -2.058 0.000 0.618 630 S C 0.840 175.529 174.600 0.148 0.000 1.896 630 S CA 1.585 59.947 58.200 0.270 0.000 4.240 630 S CB -1.584 61.824 63.200 0.347 0.000 0.208 630 S HN 0.752 nan 8.310 nan 0.000 0.487 631 Y N 2.828 123.189 120.300 0.102 0.000 2.224 631 Y HA -0.017 3.297 4.550 -2.060 0.000 0.289 631 Y C 2.479 178.566 175.900 0.311 0.000 1.146 631 Y CA 2.150 60.412 58.100 0.270 0.000 1.182 631 Y CB -0.914 37.828 38.460 0.470 0.000 0.983 631 Y HN 0.560 nan 8.280 nan 0.000 0.524 632 G N -0.995 108.054 108.800 0.414 0.000 2.448 632 G HA2 -0.212 2.513 3.960 -2.058 0.000 0.219 632 G HA3 -0.212 2.513 3.960 -2.058 0.000 0.219 632 G C 1.812 176.788 174.900 0.125 0.000 1.127 632 G CA 0.730 45.991 45.100 0.268 0.000 0.766 632 G HN 0.571 nan 8.290 nan 0.000 0.552 633 G N -0.160 108.693 108.800 0.089 0.000 2.394 633 G HA2 -0.191 2.534 3.960 -2.058 0.000 0.215 633 G HA3 -0.191 2.534 3.960 -2.058 0.000 0.215 633 G C 1.518 176.454 174.900 0.061 0.000 1.165 633 G CA 0.917 46.043 45.100 0.044 0.000 0.784 633 G HN 0.456 nan 8.290 nan 0.000 0.535 634 Y N 1.161 121.394 120.300 -0.111 0.000 2.097 634 Y HA -0.206 3.110 4.550 -2.057 0.000 0.282 634 Y C 2.824 178.666 175.900 -0.097 0.000 1.152 634 Y CA 2.002 59.985 58.100 -0.196 0.000 1.136 634 Y CB -0.266 37.931 38.460 -0.439 0.000 0.975 634 Y HN 0.033 nan 8.280 nan 0.000 0.498 635 V N -0.069 119.790 119.914 -0.092 0.000 2.343 635 V HA -0.337 2.548 4.120 -2.058 0.000 0.247 635 V C 2.284 178.303 176.094 -0.125 0.000 1.051 635 V CA 2.397 64.635 62.300 -0.104 0.000 1.036 635 V CB -1.124 30.799 31.823 0.166 0.000 0.654 635 V HN 0.536 nan 8.190 nan 0.000 0.451 636 T N -0.031 114.498 114.554 -0.041 0.000 2.665 636 T HA -0.212 2.903 4.350 -2.058 0.000 0.268 636 T C 2.112 176.769 174.700 -0.072 0.000 1.035 636 T CA 2.071 64.148 62.100 -0.038 0.000 1.151 636 T CB -0.311 68.612 68.868 0.092 0.000 0.862 636 T HN 0.529 nan 8.240 nan 0.000 0.438 637 S N 0.959 116.650 115.700 -0.014 0.000 2.383 637 S HA 0.011 3.246 4.470 -2.058 0.000 0.227 637 S C 2.111 176.626 174.600 -0.142 0.000 1.026 637 S CA 0.875 59.092 58.200 0.029 0.000 0.981 637 S CB -0.251 63.011 63.200 0.104 0.000 0.818 637 S HN 0.324 nan 8.310 nan 0.000 0.472 638 M N 0.815 120.241 119.600 -0.290 0.000 2.200 638 M HA 0.018 3.263 4.480 -2.058 0.000 0.265 638 M C 2.188 178.316 176.300 -0.286 0.000 1.066 638 M CA 0.960 56.064 55.300 -0.327 0.000 1.127 638 M CB -1.288 31.020 32.600 -0.486 0.000 1.379 638 M HN 0.174 nan 8.290 nan 0.000 0.420 639 V N 0.748 120.484 119.914 -0.297 0.000 2.307 639 V HA -0.234 2.651 4.120 -2.058 0.000 0.245 639 V C 2.471 178.337 176.094 -0.381 0.000 1.045 639 V CA 1.405 63.511 62.300 -0.323 0.000 1.024 639 V CB -0.610 30.941 31.823 -0.454 0.000 0.651 639 V HN 0.399 nan 8.190 nan 0.000 0.449 640 L N 0.303 121.232 121.223 -0.489 0.000 2.201 640 L HA -0.016 3.089 4.340 -2.058 0.000 0.212 640 L C 2.215 178.464 176.870 -1.036 0.000 1.105 640 L CA 1.381 55.822 54.840 -0.664 0.000 0.775 640 L CB -0.655 40.975 42.059 -0.716 0.000 0.913 640 L HN 0.480 nan 8.230 nan 0.000 0.440 641 G N -1.374 106.836 108.800 -0.982 0.000 3.189 641 G HA2 -0.060 2.666 3.960 -2.058 0.000 0.225 641 G HA3 -0.060 2.666 3.960 -2.058 0.000 0.225 641 G C 1.522 176.243 174.900 -0.298 0.000 1.159 641 G CA 0.582 45.263 45.100 -0.698 0.000 0.763 641 G HN 0.418 nan 8.290 nan 0.000 0.549 642 S N -0.563 114.982 115.700 -0.258 0.000 2.461 642 S HA 0.291 3.526 4.470 -2.058 0.000 0.228 642 S C 1.979 176.526 174.600 -0.089 0.000 1.005 642 S CA 1.108 59.226 58.200 -0.136 0.000 0.942 642 S CB -0.148 62.988 63.200 -0.106 0.000 0.776 642 S HN 1.370 nan 8.310 nan 0.000 0.514 643 G N 1.257 109.995 108.800 -0.104 0.000 2.143 643 G HA2 -0.340 2.385 3.960 -2.058 0.000 0.248 643 G HA3 -0.340 2.385 3.960 -2.058 0.000 0.248 643 G C 0.991 175.877 174.900 -0.024 0.000 0.991 643 G CA 0.969 46.035 45.100 -0.057 0.000 0.689 643 G HN 1.303 nan 8.290 nan 0.000 0.522 644 S N -0.588 115.109 115.700 -0.006 0.000 2.423 644 S HA 0.287 3.523 4.470 -2.058 0.000 0.231 644 S C 2.590 177.201 174.600 0.019 0.000 1.014 644 S CA 1.755 59.968 58.200 0.022 0.000 0.965 644 S CB -0.276 62.965 63.200 0.068 0.000 0.785 644 S HN 2.433 nan 8.310 nan 0.000 0.495 645 G N -0.079 108.738 108.800 0.029 0.000 2.179 645 G HA2 -0.293 2.432 3.960 -2.058 0.000 0.260 645 G HA3 -0.293 2.432 3.960 -2.058 0.000 0.260 645 G C 0.775 175.677 174.900 0.003 0.000 0.977 645 G CA 0.412 45.522 45.100 0.017 0.000 0.641 645 G HN 0.679 nan 8.290 nan 0.000 0.533 646 V N -0.428 119.488 119.914 0.003 0.000 2.407 646 V HA 0.244 3.129 4.120 -2.058 0.000 0.245 646 V C 1.243 177.173 176.094 -0.274 0.000 1.041 646 V CA 1.534 63.728 62.300 -0.176 0.000 1.040 646 V CB -0.341 31.307 31.823 -0.292 0.000 0.671 646 V HN 0.294 nan 8.190 nan 0.000 0.455 647 F N 0.165 120.126 119.950 0.019 0.000 2.415 647 F HA 0.376 3.678 4.527 -2.042 0.000 0.348 647 F C 1.131 176.972 175.800 0.068 0.000 1.119 647 F CA -0.450 57.587 58.000 0.062 0.000 1.069 647 F CB 1.270 40.306 39.000 0.061 0.000 1.124 647 F HN -0.214 nan 8.300 nan 0.000 0.472 648 K N 1.966 122.518 120.400 0.254 0.000 2.103 648 K HA 0.027 3.112 4.320 -2.058 0.000 0.204 648 K C 0.071 176.803 176.600 0.221 0.000 1.052 648 K CA 1.104 57.511 56.287 0.200 0.000 0.945 648 K CB 0.211 32.828 32.500 0.194 0.000 0.722 648 K HN 0.814 nan 8.250 nan 0.000 0.443 649 c N -3.420 115.355 118.600 0.290 0.000 3.320 649 c HA 0.896 4.231 4.570 -2.058 0.000 0.335 649 c C -0.284 174.044 174.090 0.397 0.000 1.430 649 c CA -0.483 56.037 56.329 0.318 0.000 1.271 649 c CB 1.124 43.744 42.510 0.183 0.000 1.609 649 c HN 0.378 nan 8.230 nan 0.000 0.457 650 G N -0.174 108.940 108.800 0.525 0.000 2.547 650 G HA2 0.648 3.374 3.960 -2.058 0.000 0.291 650 G HA3 0.648 3.374 3.960 -2.058 0.000 0.291 650 G C -2.107 173.041 174.900 0.414 0.000 1.471 650 G CA -0.662 44.719 45.100 0.469 0.000 0.798 650 G HN 1.057 nan 8.290 nan 0.000 0.504 651 I N 0.865 121.637 120.570 0.336 0.000 2.447 651 I HA 0.602 3.537 4.170 -2.058 0.000 0.287 651 I C 0.282 176.514 176.117 0.191 0.000 1.023 651 I CA -0.927 60.440 61.300 0.111 0.000 1.083 651 I CB 2.144 40.197 38.000 0.088 0.000 1.245 651 I HN 0.683 nan 8.210 nan 0.000 0.434 652 A N 6.631 129.458 122.820 0.011 0.000 2.271 652 A HA 0.777 3.862 4.320 -2.058 0.000 0.317 652 A C -0.599 176.877 177.584 -0.179 0.000 1.245 652 A CA -0.490 51.554 52.037 0.012 0.000 0.857 652 A CB 0.971 20.040 19.000 0.113 0.000 1.175 652 A HN 0.457 nan 8.150 nan 0.000 0.512 653 V N 2.193 121.942 119.914 -0.275 0.000 2.384 653 V HA 0.561 3.447 4.120 -2.058 0.000 0.287 653 V C 0.940 176.575 176.094 -0.766 0.000 1.020 653 V CA 0.281 62.178 62.300 -0.671 0.000 0.850 653 V CB 0.782 31.885 31.823 -1.200 0.000 0.987 653 V HN 2.046 nan 8.190 nan 0.000 0.436 654 A N 5.563 127.913 122.820 -0.783 0.000 2.511 654 A HA -0.107 2.978 4.320 -2.058 0.000 0.297 654 A C -1.788 175.622 177.584 -0.289 0.000 1.476 654 A CA 0.446 51.977 52.037 -0.845 0.000 0.757 654 A CB -1.596 17.054 19.000 -0.583 0.000 1.072 654 A HN 0.616 nan 8.150 nan 0.000 0.413 655 P HA 0.417 nan 4.420 nan 0.000 0.277 655 P C 0.193 177.453 177.300 -0.067 0.000 1.240 655 P CA -0.228 62.834 63.100 -0.064 0.000 0.798 655 P CB 1.168 32.860 31.700 -0.014 0.000 0.979 656 V N 2.259 122.042 119.914 -0.219 0.000 2.637 656 V HA 0.039 2.924 4.120 -2.058 0.000 0.296 656 V C 1.776 177.708 176.094 -0.269 0.000 1.046 656 V CA 0.951 62.987 62.300 -0.439 0.000 1.066 656 V CB 0.494 31.642 31.823 -1.126 0.000 0.968 656 V HN 0.804 nan 8.190 nan 0.000 0.483 657 S N 3.961 119.537 115.700 -0.206 0.000 2.564 657 S HA 0.227 3.463 4.470 -2.058 0.000 0.231 657 S C 0.521 174.984 174.600 -0.229 0.000 1.067 657 S CA -0.363 57.775 58.200 -0.103 0.000 0.908 657 S CB 0.285 63.486 63.200 0.001 0.000 0.809 657 S HN 0.845 nan 8.310 nan 0.000 0.491 658 R N -1.354 118.891 120.500 -0.425 0.000 2.604 658 R HA 0.493 3.598 4.340 -2.058 0.000 0.270 658 R C -0.895 175.095 176.300 -0.517 0.000 1.052 658 R CA -0.930 54.847 56.100 -0.538 0.000 0.902 658 R CB 0.007 29.962 30.300 -0.576 0.000 1.233 658 R HN 0.130 nan 8.270 nan 0.000 0.455 659 W N 1.245 122.469 121.300 -0.126 0.000 2.392 659 W HA -0.025 3.399 4.660 -2.060 0.000 0.279 659 W C 1.118 177.793 176.519 0.260 0.000 1.225 659 W CA 0.817 58.170 57.345 0.013 0.000 1.233 659 W CB 0.233 29.569 29.460 -0.206 0.000 1.122 659 W HN 0.750 nan 8.180 nan 0.000 0.561 660 E N -0.989 119.431 120.200 0.366 0.000 2.268 660 E HA -0.204 2.912 4.350 -2.058 0.000 0.195 660 E C 1.440 178.211 176.600 0.285 0.000 0.995 660 E CA 1.041 57.589 56.400 0.246 0.000 0.836 660 E CB -0.384 29.348 29.700 0.053 0.000 0.763 660 E HN 0.343 nan 8.360 nan 0.000 0.491 661 Y N -1.273 119.133 120.300 0.177 0.000 2.457 661 Y HA 0.034 3.349 4.550 -2.058 0.000 0.292 661 Y C 0.798 176.828 175.900 0.216 0.000 1.125 661 Y CA -0.208 57.970 58.100 0.131 0.000 1.254 661 Y CB -0.526 37.951 38.460 0.028 0.000 1.012 661 Y HN 0.038 nan 8.280 nan 0.000 0.555 662 Y N 1.816 122.295 120.300 0.297 0.000 2.392 662 Y HA 0.282 3.598 4.550 -2.056 0.000 0.323 662 Y C 0.224 176.350 175.900 0.376 0.000 1.291 662 Y CA -2.192 56.090 58.100 0.305 0.000 1.345 662 Y CB 0.338 39.006 38.460 0.347 0.000 1.320 662 Y HN 0.174 nan 8.280 nan 0.000 0.518 663 D N -0.413 119.680 120.400 -0.512 0.000 2.399 663 D HA 0.088 3.493 4.640 -2.058 0.000 0.241 663 D C 0.931 177.185 176.300 -0.076 0.000 1.133 663 D CA 0.387 54.156 54.000 -0.384 0.000 0.890 663 D CB 0.964 41.363 40.800 -0.669 0.000 1.201 663 D HN 0.494 nan 8.370 nan 0.000 0.432 664 S N 1.829 117.509 115.700 -0.033 0.000 2.353 664 S HA -0.286 2.950 4.470 -2.058 0.000 0.222 664 S C 2.066 176.678 174.600 0.020 0.000 1.035 664 S CA 1.167 59.401 58.200 0.056 0.000 1.025 664 S CB -1.075 62.172 63.200 0.079 0.000 0.902 664 S HN 0.640 nan 8.310 nan 0.000 0.440 665 V N 0.332 120.194 119.914 -0.086 0.000 2.358 665 V HA -0.123 2.762 4.120 -2.058 0.000 0.246 665 V C 2.100 178.072 176.094 -0.203 0.000 1.047 665 V CA 1.980 64.128 62.300 -0.253 0.000 1.035 665 V CB -1.068 30.348 31.823 -0.678 0.000 0.658 665 V HN 0.565 nan 8.190 nan 0.000 0.452 666 Y N 1.861 122.066 120.300 -0.158 0.000 2.114 666 Y HA -0.176 3.139 4.550 -2.059 0.000 0.284 666 Y C 2.700 178.561 175.900 -0.065 0.000 1.143 666 Y CA 2.836 60.922 58.100 -0.025 0.000 1.135 666 Y CB -0.731 37.907 38.460 0.297 0.000 0.980 666 Y HN 0.349 nan 8.280 nan 0.000 0.499 667 T N 0.193 114.874 114.554 0.211 0.000 2.737 667 T HA -0.172 2.943 4.350 -2.058 0.000 0.265 667 T C 1.504 176.140 174.700 -0.107 0.000 1.038 667 T CA 1.848 64.024 62.100 0.127 0.000 1.144 667 T CB -0.276 68.849 68.868 0.428 0.000 0.866 667 T HN 0.452 nan 8.240 nan 0.000 0.434 668 E N 0.634 120.803 120.200 -0.051 0.000 2.274 668 E HA -0.001 3.114 4.350 -2.058 0.000 0.194 668 E C 2.303 178.773 176.600 -0.217 0.000 0.996 668 E CA 0.156 56.535 56.400 -0.035 0.000 0.840 668 E CB -0.078 29.659 29.700 0.060 0.000 0.772 668 E HN 0.323 nan 8.360 nan 0.000 0.491 669 R N 0.220 120.418 120.500 -0.503 0.000 2.103 669 R HA -0.196 2.910 4.340 -2.058 0.000 0.242 669 R C 1.130 176.886 176.300 -0.907 0.000 1.142 669 R CA 1.640 57.236 56.100 -0.840 0.000 0.960 669 R CB 0.027 29.442 30.300 -1.476 0.000 0.858 669 R HN 0.257 nan 8.270 nan 0.000 0.439 670 Y N -2.471 117.507 120.300 -0.536 0.000 2.498 670 Y HA 0.219 3.536 4.550 -2.056 0.000 0.259 670 Y C 1.736 177.455 175.900 -0.300 0.000 1.086 670 Y CA -0.003 57.788 58.100 -0.515 0.000 1.287 670 Y CB 0.427 38.444 38.460 -0.738 0.000 1.146 670 Y HN -0.063 nan 8.280 nan 0.000 0.523 671 M N -0.477 119.021 119.600 -0.169 0.000 2.331 671 M HA 0.357 3.603 4.480 -2.058 0.000 0.266 671 M C 1.121 177.460 176.300 0.066 0.000 1.055 671 M CA 0.803 56.016 55.300 -0.145 0.000 1.048 671 M CB -0.214 32.102 32.600 -0.475 0.000 1.460 671 M HN 0.342 nan 8.290 nan 0.000 0.519 672 G N 1.993 110.835 108.800 0.070 0.000 2.601 672 G HA2 -0.232 2.493 3.960 -2.058 0.000 0.261 672 G HA3 -0.232 2.493 3.960 -2.058 0.000 0.261 672 G C -0.664 174.377 174.900 0.235 0.000 1.289 672 G CA -0.730 44.445 45.100 0.125 0.000 0.920 672 G HN 0.254 nan 8.290 nan 0.000 0.571 673 L N 2.550 123.866 121.223 0.155 0.000 2.350 673 L HA 0.487 3.592 4.340 -2.058 0.000 0.275 673 L C -1.202 175.638 176.870 -0.051 0.000 1.099 673 L CA -1.697 53.179 54.840 0.060 0.000 0.808 673 L CB 1.151 43.217 42.059 0.013 0.000 1.149 673 L HN 0.424 nan 8.230 nan 0.000 0.442 674 P HA 0.086 nan 4.420 nan 0.000 0.220 674 P C -0.551 176.590 177.300 -0.266 0.000 1.778 674 P CA -0.220 62.441 63.100 -0.731 0.000 0.912 674 P CB -0.507 30.420 31.700 -1.288 0.000 1.861 675 T N -3.331 111.156 114.554 -0.111 0.000 2.918 675 T HA 0.458 3.573 4.350 -2.058 0.000 0.286 675 T C -2.093 172.603 174.700 -0.008 0.000 1.026 675 T CA -2.490 59.580 62.100 -0.050 0.000 1.031 675 T CB 1.669 70.519 68.868 -0.029 0.000 1.046 675 T HN -0.275 nan 8.240 nan 0.000 0.479 676 P HA -0.127 nan 4.420 nan 0.000 0.219 676 P C 1.438 178.751 177.300 0.022 0.000 1.146 676 P CA 0.936 64.046 63.100 0.016 0.000 0.808 676 P CB 0.109 31.815 31.700 0.010 0.000 0.779 677 E N -1.180 119.029 120.200 0.016 0.000 2.285 677 E HA -0.094 3.021 4.350 -2.058 0.000 0.194 677 E C 1.157 177.773 176.600 0.027 0.000 0.997 677 E CA 0.868 57.278 56.400 0.017 0.000 0.845 677 E CB -0.510 29.195 29.700 0.009 0.000 0.782 677 E HN 0.274 nan 8.360 nan 0.000 0.491 678 D N 0.989 121.411 120.400 0.036 0.000 2.818 678 D HA 0.018 3.423 4.640 -2.058 0.000 0.250 678 D C 0.429 176.784 176.300 0.092 0.000 1.496 678 D CA 0.221 54.255 54.000 0.057 0.000 1.192 678 D CB 0.074 40.908 40.800 0.056 0.000 0.963 678 D HN 0.028 nan 8.370 nan 0.000 0.259 679 N N -0.267 118.519 118.700 0.144 0.000 2.307 679 N HA 0.082 3.587 4.740 -2.058 0.000 0.248 679 N C 0.916 176.631 175.510 0.341 0.000 1.322 679 N CA -0.079 53.110 53.050 0.233 0.000 0.861 679 N CB 0.222 38.876 38.487 0.277 0.000 1.303 679 N HN 0.078 nan 8.380 nan 0.000 0.498 680 L N 0.502 121.840 121.223 0.192 0.000 2.043 680 L HA -0.112 2.993 4.340 -2.058 0.000 0.212 680 L C 1.240 178.228 176.870 0.197 0.000 1.075 680 L CA 1.994 56.925 54.840 0.150 0.000 0.752 680 L CB -0.387 41.690 42.059 0.030 0.000 0.891 680 L HN 0.115 nan 8.230 nan 0.000 0.432 681 D N -1.208 119.286 120.400 0.156 0.000 2.126 681 D HA -0.288 3.117 4.640 -2.058 0.000 0.190 681 D C 2.109 178.514 176.300 0.174 0.000 1.001 681 D CA 1.997 56.079 54.000 0.138 0.000 0.841 681 D CB -0.241 40.627 40.800 0.113 0.000 0.949 681 D HN 0.604 nan 8.370 nan 0.000 0.446 682 H N -1.213 117.927 119.070 0.117 0.000 2.470 682 H HA -0.019 3.302 4.556 -2.059 0.000 0.289 682 H C 1.654 177.046 175.328 0.106 0.000 1.033 682 H CA 0.982 57.078 56.048 0.079 0.000 1.331 682 H CB -0.262 29.513 29.762 0.022 0.000 1.414 682 H HN 0.169 nan 8.280 nan 0.000 0.545 683 Y N 0.200 120.506 120.300 0.010 0.000 2.207 683 Y HA -0.179 3.137 4.550 -2.057 0.000 0.287 683 Y C 2.249 178.123 175.900 -0.044 0.000 1.156 683 Y CA 1.415 59.519 58.100 0.006 0.000 1.182 683 Y CB 0.172 38.663 38.460 0.052 0.000 0.979 683 Y HN 0.150 nan 8.280 nan 0.000 0.521 684 R N -0.616 119.959 120.500 0.126 0.000 2.161 684 R HA -0.025 3.081 4.340 -2.058 0.000 0.213 684 R C 1.411 177.712 176.300 0.001 0.000 1.055 684 R CA 0.567 56.698 56.100 0.051 0.000 0.996 684 R CB -0.613 29.721 30.300 0.056 0.000 0.901 684 R HN 0.444 nan 8.270 nan 0.000 0.456 685 N N 0.976 119.659 118.700 -0.028 0.000 2.412 685 N HA -0.050 3.455 4.740 -2.058 0.000 0.184 685 N C 0.098 175.554 175.510 -0.089 0.000 1.101 685 N CA 0.481 53.513 53.050 -0.030 0.000 0.881 685 N CB 0.400 38.918 38.487 0.051 0.000 0.969 685 N HN 0.085 nan 8.380 nan 0.000 0.459 686 S N -0.515 115.088 115.700 -0.162 0.000 2.711 686 S HA 0.076 3.311 4.470 -2.058 0.000 0.247 686 S C 0.255 174.887 174.600 0.054 0.000 1.079 686 S CA -0.797 57.349 58.200 -0.090 0.000 1.050 686 S CB 0.028 63.062 63.200 -0.278 0.000 0.885 686 S HN 0.136 nan 8.310 nan 0.000 0.498 687 T N -1.112 113.435 114.554 -0.012 0.000 2.922 687 T HA 0.509 3.625 4.350 -2.058 0.000 0.285 687 T C 1.407 176.090 174.700 -0.029 0.000 1.005 687 T CA -0.122 61.957 62.100 -0.035 0.000 1.061 687 T CB 1.467 70.285 68.868 -0.083 0.000 1.007 687 T HN 0.599 nan 8.240 nan 0.000 0.502 688 V N 1.953 121.845 119.914 -0.037 0.000 2.591 688 V HA -0.015 2.870 4.120 -2.058 0.000 0.249 688 V C 2.246 178.312 176.094 -0.045 0.000 1.053 688 V CA 1.282 63.555 62.300 -0.045 0.000 1.068 688 V CB -1.164 30.630 31.823 -0.049 0.000 0.689 688 V HN 0.843 nan 8.190 nan 0.000 0.462 689 M N 2.568 122.126 119.600 -0.070 0.000 2.144 689 M HA -0.156 3.089 4.480 -2.058 0.000 0.260 689 M C 2.391 178.664 176.300 -0.044 0.000 1.067 689 M CA 2.479 57.733 55.300 -0.077 0.000 1.095 689 M CB -0.990 31.577 32.600 -0.056 0.000 1.365 689 M HN 0.756 nan 8.290 nan 0.000 0.406 690 S N -0.544 115.141 115.700 -0.026 0.000 2.555 690 S HA -0.036 3.199 4.470 -2.058 0.000 0.230 690 S C 1.729 176.334 174.600 0.007 0.000 0.978 690 S CA 0.560 58.754 58.200 -0.010 0.000 0.934 690 S CB -0.404 62.791 63.200 -0.010 0.000 0.766 690 S HN 0.536 nan 8.310 nan 0.000 0.533 691 R N 0.282 120.798 120.500 0.027 0.000 2.362 691 R HA 0.432 3.538 4.340 -2.058 0.000 0.227 691 R C 2.268 178.670 176.300 0.169 0.000 0.905 691 R CA 0.453 56.594 56.100 0.067 0.000 1.067 691 R CB -0.250 30.080 30.300 0.050 0.000 1.078 691 R HN 0.461 nan 8.270 nan 0.000 0.516 692 A N 1.856 124.736 122.820 0.100 0.000 1.915 692 A HA -0.319 2.766 4.320 -2.058 0.000 0.220 692 A C 1.993 179.662 177.584 0.141 0.000 1.198 692 A CA 2.056 54.126 52.037 0.055 0.000 0.647 692 A CB -0.386 18.564 19.000 -0.083 0.000 0.825 692 A HN 0.265 nan 8.150 nan 0.000 0.456 693 E N 0.265 120.517 120.200 0.086 0.000 2.086 693 E HA -0.224 2.892 4.350 -2.058 0.000 0.200 693 E C 1.712 178.367 176.600 0.092 0.000 1.012 693 E CA 1.831 58.276 56.400 0.076 0.000 0.812 693 E CB -0.249 29.478 29.700 0.045 0.000 0.743 693 E HN 0.618 nan 8.360 nan 0.000 0.453 694 N N -0.625 118.122 118.700 0.079 0.000 2.453 694 N HA -0.117 3.388 4.740 -2.058 0.000 0.183 694 N C 0.990 176.477 175.510 -0.038 0.000 1.041 694 N CA 0.548 53.598 53.050 0.000 0.000 0.900 694 N CB -0.248 38.194 38.487 -0.075 0.000 0.961 694 N HN 0.213 nan 8.380 nan 0.000 0.443 695 F N 1.424 121.328 119.950 -0.077 0.000 2.641 695 F HA 0.016 3.310 4.527 -2.055 0.000 0.298 695 F C 1.837 177.642 175.800 0.007 0.000 1.146 695 F CA 0.632 58.584 58.000 -0.079 0.000 1.464 695 F CB -0.008 38.896 39.000 -0.160 0.000 1.101 695 F HN -0.036 nan 8.300 nan 0.000 0.585 696 K N -0.080 120.415 120.400 0.159 0.000 2.442 696 K HA -0.153 2.932 4.320 -2.058 0.000 0.198 696 K C 1.473 178.131 176.600 0.097 0.000 1.042 696 K CA 0.903 57.266 56.287 0.127 0.000 0.958 696 K CB -0.177 32.379 32.500 0.093 0.000 0.766 696 K HN 0.460 nan 8.250 nan 0.000 0.474 697 Q N 0.277 120.116 119.800 0.065 0.000 2.384 697 Q HA 0.042 3.147 4.340 -2.058 0.000 0.207 697 Q C 0.537 176.575 176.000 0.063 0.000 0.904 697 Q CA 0.102 55.933 55.803 0.046 0.000 0.933 697 Q CB 0.821 29.565 28.738 0.009 0.000 1.077 697 Q HN 0.130 nan 8.270 nan 0.000 0.522 698 V N -2.253 117.712 119.914 0.084 0.000 3.046 698 V HA 0.510 3.395 4.120 -2.058 0.000 0.316 698 V C -1.026 175.207 176.094 0.232 0.000 1.104 698 V CA -1.246 61.130 62.300 0.128 0.000 1.006 698 V CB 2.247 34.101 31.823 0.051 0.000 1.058 698 V HN -0.069 nan 8.190 nan 0.000 0.440 699 E N 1.622 121.986 120.200 0.274 0.000 2.200 699 E HA 0.486 3.601 4.350 -2.058 0.000 0.283 699 E C -1.713 175.278 176.600 0.650 0.000 1.015 699 E CA -0.231 56.407 56.400 0.396 0.000 0.819 699 E CB 1.456 31.298 29.700 0.237 0.000 1.081 699 E HN 0.685 nan 8.360 nan 0.000 0.397 700 Y N 3.580 124.180 120.300 0.499 0.000 2.361 700 Y HA 0.460 3.774 4.550 -2.060 0.000 0.337 700 Y C -1.741 174.251 175.900 0.152 0.000 0.965 700 Y CA -1.512 56.813 58.100 0.375 0.000 1.091 700 Y CB 0.973 39.675 38.460 0.404 0.000 1.182 700 Y HN 0.425 nan 8.280 nan 0.000 0.450 701 L N 7.643 128.552 121.223 -0.524 0.000 2.313 701 L HA 0.654 3.760 4.340 -2.058 0.000 0.283 701 L C -2.105 174.283 176.870 -0.803 0.000 1.013 701 L CA -0.804 53.551 54.840 -0.809 0.000 0.816 701 L CB 1.369 42.592 42.059 -1.392 0.000 1.236 701 L HN 0.632 nan 8.230 nan 0.000 0.419 702 L N 6.721 127.569 121.223 -0.625 0.000 2.349 702 L HA 0.701 3.806 4.340 -2.058 0.000 0.278 702 L C -1.287 175.439 176.870 -0.240 0.000 0.996 702 L CA -0.078 54.449 54.840 -0.522 0.000 0.825 702 L CB 1.305 43.072 42.059 -0.487 0.000 1.243 702 L HN 0.581 nan 8.230 nan 0.000 0.412 703 I N 4.450 124.890 120.570 -0.216 0.000 2.498 703 I HA 0.451 3.386 4.170 -2.058 0.000 0.290 703 I C -1.192 174.877 176.117 -0.081 0.000 1.032 703 I CA -0.663 60.563 61.300 -0.123 0.000 1.073 703 I CB 2.009 39.900 38.000 -0.182 0.000 1.251 703 I HN 0.670 nan 8.210 nan 0.000 0.426 704 H N 2.531 121.646 119.070 0.076 0.000 3.026 704 H HA 0.468 3.789 4.556 -2.057 0.000 0.352 704 H C -0.178 175.391 175.328 0.401 0.000 1.090 704 H CA -0.545 55.613 56.048 0.183 0.000 1.268 704 H CB 2.014 31.841 29.762 0.108 0.000 1.816 704 H HN 0.766 nan 8.280 nan 0.000 0.518 705 G N 1.209 110.333 108.800 0.540 0.000 2.403 705 G HA2 0.170 2.895 3.960 -2.058 0.000 0.259 705 G HA3 0.170 2.895 3.960 -2.058 0.000 0.259 705 G C 1.168 176.333 174.900 0.443 0.000 1.244 705 G CA 0.174 45.556 45.100 0.471 0.000 0.849 705 G HN 0.754 nan 8.290 nan 0.000 0.532 706 T N -0.484 114.187 114.554 0.195 0.000 2.951 706 T HA 0.070 3.185 4.350 -2.058 0.000 0.268 706 T C 1.827 176.491 174.700 -0.060 0.000 1.073 706 T CA 1.236 63.262 62.100 -0.124 0.000 1.134 706 T CB 0.118 68.841 68.868 -0.242 0.000 0.884 706 T HN 0.680 nan 8.240 nan 0.000 0.479 707 A N 1.335 124.192 122.820 0.061 0.000 2.640 707 A HA 0.293 3.379 4.320 -2.058 0.000 0.282 707 A C 0.448 178.011 177.584 -0.033 0.000 1.357 707 A CA -0.462 51.608 52.037 0.054 0.000 0.946 707 A CB -0.505 18.782 19.000 0.477 0.000 1.065 707 A HN 0.397 nan 8.150 nan 0.000 0.541 708 D N 1.350 121.737 120.400 -0.021 0.000 2.338 708 D HA 0.014 3.420 4.640 -2.058 0.000 0.255 708 D C 0.346 176.624 176.300 -0.037 0.000 1.237 708 D CA -0.013 54.079 54.000 0.153 0.000 0.883 708 D CB 0.702 41.750 40.800 0.413 0.000 1.087 708 D HN 0.550 nan 8.370 nan 0.000 0.485 709 D N 2.075 122.508 120.400 0.055 0.000 2.349 709 D HA -0.082 3.324 4.640 -2.058 0.000 0.215 709 D C 0.908 177.173 176.300 -0.059 0.000 1.016 709 D CA 0.053 54.025 54.000 -0.048 0.000 0.870 709 D CB 0.332 41.058 40.800 -0.123 0.000 0.917 709 D HN 0.454 nan 8.370 nan 0.000 0.524 710 N N 0.118 118.877 118.700 0.099 0.000 2.530 710 N HA -0.046 3.459 4.740 -2.058 0.000 0.216 710 N C 0.177 175.663 175.510 -0.039 0.000 1.031 710 N CA 0.043 53.213 53.050 0.200 0.000 1.063 710 N CB 0.989 39.590 38.487 0.190 0.000 1.346 710 N HN -0.041 nan 8.380 nan 0.000 0.515 711 V N 2.389 122.266 119.914 -0.062 0.000 2.333 711 V HA 0.323 3.208 4.120 -2.058 0.000 0.274 711 V C -1.160 174.989 176.094 0.091 0.000 1.028 711 V CA -0.623 61.664 62.300 -0.021 0.000 0.851 711 V CB -0.068 31.748 31.823 -0.012 0.000 1.000 711 V HN 0.310 nan 8.190 nan 0.000 0.456 712 H N 5.168 124.216 119.070 -0.037 0.000 2.848 712 H HA 0.096 3.418 4.556 -2.057 0.000 0.341 712 H C 0.577 175.721 175.328 -0.307 0.000 1.060 712 H CA 0.667 56.598 56.048 -0.194 0.000 1.444 712 H CB 0.750 30.317 29.762 -0.324 0.000 1.446 712 H HN 0.799 nan 8.280 nan 0.000 0.583 713 F N 2.339 122.029 119.950 -0.434 0.000 2.141 713 F HA -0.361 2.931 4.527 -2.058 0.000 0.300 713 F C 2.625 178.112 175.800 -0.523 0.000 1.079 713 F CA 2.004 59.526 58.000 -0.797 0.000 1.264 713 F CB -0.199 38.569 39.000 -0.388 0.000 1.011 713 F HN 0.690 nan 8.300 nan 0.000 0.487 714 Q N 0.094 119.744 119.800 -0.250 0.000 2.207 714 Q HA -0.367 2.738 4.340 -2.058 0.000 0.215 714 Q C 2.078 177.817 176.000 -0.434 0.000 1.006 714 Q CA 2.586 58.190 55.803 -0.331 0.000 0.903 714 Q CB -0.412 28.117 28.738 -0.349 0.000 0.947 714 Q HN 0.648 nan 8.270 nan 0.000 0.414 715 Q N -0.694 118.886 119.800 -0.366 0.000 2.079 715 Q HA -0.083 3.022 4.340 -2.058 0.000 0.200 715 Q C 2.246 178.149 176.000 -0.162 0.000 0.974 715 Q CA 1.610 57.324 55.803 -0.148 0.000 0.840 715 Q CB 0.048 28.791 28.738 0.007 0.000 0.898 715 Q HN 0.342 nan 8.270 nan 0.000 0.430 716 S N 0.853 116.360 115.700 -0.322 0.000 2.414 716 S HA -0.014 3.221 4.470 -2.058 0.000 0.227 716 S C 2.064 176.413 174.600 -0.418 0.000 1.022 716 S CA 0.703 58.713 58.200 -0.316 0.000 0.958 716 S CB -0.086 62.952 63.200 -0.270 0.000 0.797 716 S HN 0.445 nan 8.310 nan 0.000 0.493 717 A N 1.594 124.049 122.820 -0.608 0.000 1.940 717 A HA -0.160 2.925 4.320 -2.058 0.000 0.219 717 A C 2.140 179.613 177.584 -0.184 0.000 1.176 717 A CA 1.222 53.042 52.037 -0.362 0.000 0.631 717 A CB -0.430 18.407 19.000 -0.273 0.000 0.814 717 A HN 0.374 nan 8.150 nan 0.000 0.446 718 Q N -0.571 119.129 119.800 -0.166 0.000 2.123 718 Q HA -0.016 3.090 4.340 -2.058 0.000 0.199 718 Q C 2.134 178.083 176.000 -0.085 0.000 0.966 718 Q CA 1.043 56.808 55.803 -0.063 0.000 0.845 718 Q CB -0.330 28.452 28.738 0.074 0.000 0.907 718 Q HN 0.781 nan 8.270 nan 0.000 0.439 719 I N 1.306 121.797 120.570 -0.132 0.000 2.142 719 I HA -0.314 2.622 4.170 -2.058 0.000 0.240 719 I C 2.603 178.549 176.117 -0.285 0.000 1.078 719 I CA 1.568 62.740 61.300 -0.213 0.000 1.343 719 I CB -0.501 37.374 38.000 -0.209 0.000 1.046 719 I HN 0.184 nan 8.210 nan 0.000 0.405 720 S N 0.896 116.456 115.700 -0.233 0.000 2.359 720 S HA -0.313 2.922 4.470 -2.058 0.000 0.224 720 S C 2.037 176.616 174.600 -0.034 0.000 1.035 720 S CA 1.675 59.789 58.200 -0.144 0.000 1.018 720 S CB -0.553 62.719 63.200 0.119 0.000 0.876 720 S HN 0.384 nan 8.310 nan 0.000 0.448 721 K N 1.738 122.118 120.400 -0.034 0.000 2.057 721 K HA 0.003 3.089 4.320 -2.058 0.000 0.207 721 K C 2.301 178.887 176.600 -0.025 0.000 1.049 721 K CA 1.183 57.467 56.287 -0.005 0.000 0.931 721 K CB -0.678 31.815 32.500 -0.012 0.000 0.714 721 K HN 0.463 nan 8.250 nan 0.000 0.440 722 A N 0.942 123.717 122.820 -0.075 0.000 1.933 722 A HA -0.101 2.984 4.320 -2.058 0.000 0.218 722 A C 2.070 179.592 177.584 -0.104 0.000 1.175 722 A CA 1.257 53.243 52.037 -0.086 0.000 0.628 722 A CB -0.550 18.381 19.000 -0.115 0.000 0.814 722 A HN 0.313 nan 8.150 nan 0.000 0.444 723 L N -0.553 120.557 121.223 -0.190 0.000 2.093 723 L HA -0.134 2.972 4.340 -2.058 0.000 0.208 723 L C 2.473 179.380 176.870 0.061 0.000 1.085 723 L CA 0.893 55.629 54.840 -0.174 0.000 0.755 723 L CB -0.583 41.155 42.059 -0.536 0.000 0.904 723 L HN 0.232 nan 8.230 nan 0.000 0.435 724 V N -0.208 119.782 119.914 0.126 0.000 2.407 724 V HA -0.277 2.609 4.120 -2.058 0.000 0.248 724 V C 1.951 178.089 176.094 0.074 0.000 1.055 724 V CA 1.844 64.228 62.300 0.141 0.000 1.049 724 V CB -0.530 31.368 31.823 0.126 0.000 0.662 724 V HN 0.426 nan 8.190 nan 0.000 0.455 725 D N 0.292 120.715 120.400 0.040 0.000 2.224 725 D HA -0.078 3.327 4.640 -2.058 0.000 0.205 725 D C 1.827 178.144 176.300 0.027 0.000 0.965 725 D CA 1.498 55.514 54.000 0.027 0.000 0.852 725 D CB -0.031 40.776 40.800 0.012 0.000 0.947 725 D HN 0.559 nan 8.370 nan 0.000 0.494 726 V N -3.360 116.572 119.914 0.029 0.000 3.647 726 V HA 0.471 3.356 4.120 -2.058 0.000 0.279 726 V C 1.261 177.388 176.094 0.055 0.000 1.314 726 V CA 0.297 62.618 62.300 0.036 0.000 1.125 726 V CB -0.226 31.616 31.823 0.031 0.000 0.907 726 V HN 0.139 nan 8.190 nan 0.000 0.434 727 G N 0.593 109.434 108.800 0.068 0.000 2.246 727 G HA2 -0.177 2.549 3.960 -2.058 0.000 0.273 727 G HA3 -0.177 2.549 3.960 -2.058 0.000 0.273 727 G C -0.006 174.960 174.900 0.110 0.000 1.055 727 G CA 0.440 45.590 45.100 0.082 0.000 0.851 727 G HN 1.658 nan 8.290 nan 0.000 0.500 728 V N -0.511 119.492 119.914 0.148 0.000 2.407 728 V HA 0.668 3.554 4.120 -2.058 0.000 0.278 728 V C 0.210 176.497 176.094 0.323 0.000 1.037 728 V CA -0.612 61.810 62.300 0.203 0.000 0.900 728 V CB 1.638 33.577 31.823 0.193 0.000 0.983 728 V HN 0.320 nan 8.190 nan 0.000 0.459 729 D N 5.815 126.365 120.400 0.251 0.000 2.350 729 D HA 0.515 3.920 4.640 -2.058 0.000 0.249 729 D C -0.479 176.041 176.300 0.367 0.000 1.119 729 D CA 0.362 54.487 54.000 0.209 0.000 0.886 729 D CB 0.635 41.498 40.800 0.104 0.000 1.195 729 D HN 0.608 nan 8.370 nan 0.000 0.437 730 F N 0.082 120.111 119.950 0.132 0.000 2.745 730 F HA 0.504 3.795 4.527 -2.059 0.000 0.316 730 F C -1.137 174.720 175.800 0.096 0.000 1.155 730 F CA -1.200 56.902 58.000 0.170 0.000 0.937 730 F CB 0.897 40.027 39.000 0.217 0.000 1.361 730 F HN 0.027 nan 8.300 nan 0.000 0.472 731 Q N 1.371 121.259 119.800 0.147 0.000 2.235 731 Q HA 0.790 3.895 4.340 -2.058 0.000 0.256 731 Q C -0.831 175.163 176.000 -0.010 0.000 0.951 731 Q CA -0.769 55.028 55.803 -0.009 0.000 0.890 731 Q CB 2.037 30.799 28.738 0.040 0.000 1.279 731 Q HN 0.999 nan 8.270 nan 0.000 0.444 732 A N 1.860 124.645 122.820 -0.059 0.000 2.556 732 A HA 0.835 3.921 4.320 -2.058 0.000 0.294 732 A C -1.340 176.179 177.584 -0.108 0.000 1.091 732 A CA -0.573 51.454 52.037 -0.016 0.000 0.704 732 A CB 1.913 20.968 19.000 0.093 0.000 1.300 732 A HN 0.589 nan 8.150 nan 0.000 0.406 733 M N 1.725 121.244 119.600 -0.136 0.000 2.234 733 M HA 0.522 3.768 4.480 -2.058 0.000 0.267 733 M C -1.764 174.403 176.300 -0.222 0.000 1.022 733 M CA -0.871 54.201 55.300 -0.380 0.000 0.993 733 M CB 0.940 33.225 32.600 -0.525 0.000 1.836 733 M HN 0.905 nan 8.290 nan 0.000 0.479 734 W N 4.561 125.723 121.300 -0.229 0.000 2.375 734 W HA 0.737 4.162 4.660 -2.058 0.000 0.336 734 W C -1.861 174.395 176.519 -0.439 0.000 1.160 734 W CA -0.635 56.644 57.345 -0.110 0.000 1.266 734 W CB 0.275 29.713 29.460 -0.037 0.000 1.195 734 W HN 0.620 nan 8.180 nan 0.000 0.599 735 Y N 2.441 122.859 120.300 0.196 0.000 2.464 735 Y HA 0.277 3.592 4.550 -2.058 0.000 0.326 735 Y C 0.453 176.466 175.900 0.189 0.000 0.969 735 Y CA -1.155 56.987 58.100 0.069 0.000 1.270 735 Y CB 1.145 39.621 38.460 0.028 0.000 1.103 735 Y HN 0.422 nan 8.280 nan 0.000 0.491 736 T N 4.690 119.425 114.554 0.301 0.000 2.831 736 T HA -0.024 3.091 4.350 -2.058 0.000 0.291 736 T C 0.147 174.913 174.700 0.111 0.000 0.981 736 T CA 0.710 62.931 62.100 0.201 0.000 1.174 736 T CB -0.186 68.751 68.868 0.115 0.000 0.929 736 T HN 0.693 nan 8.240 nan 0.000 0.532 737 D N 0.881 121.308 120.400 0.045 0.000 3.079 737 D HA -0.121 3.284 4.640 -2.058 0.000 0.214 737 D C 0.262 176.652 176.300 0.151 0.000 1.145 737 D CA 1.060 55.001 54.000 -0.098 0.000 0.958 737 D CB -0.423 40.114 40.800 -0.438 0.000 1.117 737 D HN 0.558 nan 8.370 nan 0.000 0.416 738 E N 0.938 121.265 120.200 0.212 0.000 2.313 738 E HA 0.321 3.437 4.350 -2.058 0.000 0.272 738 E C 0.803 177.581 176.600 0.297 0.000 1.038 738 E CA -0.237 56.316 56.400 0.255 0.000 0.863 738 E CB 1.138 30.986 29.700 0.246 0.000 1.060 738 E HN 0.351 nan 8.360 nan 0.000 0.402 739 D N -0.296 120.294 120.400 0.317 0.000 2.511 739 D HA -0.004 3.401 4.640 -2.058 0.000 0.283 739 D C 1.094 177.626 176.300 0.388 0.000 1.198 739 D CA -0.167 54.048 54.000 0.359 0.000 1.097 739 D CB -0.210 40.831 40.800 0.402 0.000 1.160 739 D HN 0.416 nan 8.370 nan 0.000 0.589 740 H N -1.477 117.780 119.070 0.311 0.000 2.456 740 H HA 0.093 3.414 4.556 -2.058 0.000 0.296 740 H C 1.945 177.528 175.328 0.425 0.000 1.079 740 H CA 2.173 58.428 56.048 0.345 0.000 1.322 740 H CB -0.433 29.508 29.762 0.298 0.000 1.388 740 H HN 0.490 nan 8.280 nan 0.000 0.538 741 G N -0.071 108.888 108.800 0.263 0.000 2.572 741 G HA2 -0.036 2.690 3.960 -2.058 0.000 0.216 741 G HA3 -0.036 2.690 3.960 -2.058 0.000 0.216 741 G C 0.671 175.710 174.900 0.231 0.000 1.133 741 G CA 0.319 45.473 45.100 0.090 0.000 0.791 741 G HN 0.537 nan 8.290 nan 0.000 0.538 742 I N 0.110 120.885 120.570 0.341 0.000 5.115 742 I HA -0.336 2.599 4.170 -2.058 0.000 0.126 742 I C 1.600 177.837 176.117 0.201 0.000 1.316 742 I CA 0.152 61.604 61.300 0.254 0.000 2.641 742 I CB -1.159 36.977 38.000 0.226 0.000 2.272 742 I HN 0.267 nan 8.210 nan 0.000 0.321 743 A N 0.706 123.620 122.820 0.158 0.000 2.303 743 A HA 0.241 3.327 4.320 -2.058 0.000 0.217 743 A C 1.164 178.798 177.584 0.084 0.000 1.205 743 A CA 0.156 52.257 52.037 0.105 0.000 0.875 743 A CB 0.267 19.305 19.000 0.064 0.000 0.910 743 A HN 0.431 nan 8.150 nan 0.000 0.501 744 S N 0.487 116.249 115.700 0.103 0.000 2.558 744 S HA 0.056 3.291 4.470 -2.058 0.000 0.293 744 S C 1.592 176.242 174.600 0.084 0.000 1.292 744 S CA 0.513 58.766 58.200 0.088 0.000 1.063 744 S CB 0.933 64.189 63.200 0.094 0.000 0.831 744 S HN 0.597 nan 8.310 nan 0.000 0.499 745 S N 2.891 118.625 115.700 0.056 0.000 2.378 745 S HA -0.226 3.009 4.470 -2.058 0.000 0.229 745 S C 2.265 176.919 174.600 0.090 0.000 1.052 745 S CA 2.434 60.665 58.200 0.053 0.000 1.084 745 S CB -0.840 62.375 63.200 0.026 0.000 0.950 745 S HN 0.977 nan 8.310 nan 0.000 0.440 746 T N -0.435 114.164 114.554 0.075 0.000 2.821 746 T HA 0.190 3.305 4.350 -2.058 0.000 0.267 746 T C 1.937 176.692 174.700 0.092 0.000 1.046 746 T CA 1.322 63.470 62.100 0.079 0.000 1.139 746 T CB -0.818 68.087 68.868 0.062 0.000 0.871 746 T HN 0.478 nan 8.240 nan 0.000 0.454 747 A N 1.329 124.185 122.820 0.060 0.000 1.929 747 A HA -0.026 3.059 4.320 -2.058 0.000 0.216 747 A C 2.165 179.697 177.584 -0.086 0.000 1.176 747 A CA 1.822 53.828 52.037 -0.051 0.000 0.628 747 A CB -1.197 17.746 19.000 -0.095 0.000 0.816 747 A HN 0.749 nan 8.150 nan 0.000 0.444 748 H N -0.021 119.031 119.070 -0.031 0.000 2.319 748 H HA -0.174 3.147 4.556 -2.058 0.000 0.299 748 H C 2.108 177.504 175.328 0.112 0.000 1.092 748 H CA 2.431 58.518 56.048 0.066 0.000 1.302 748 H CB -0.205 29.596 29.762 0.065 0.000 1.373 748 H HN 0.567 nan 8.280 nan 0.000 0.497 749 Q N -1.021 118.800 119.800 0.035 0.000 2.124 749 Q HA -0.200 2.905 4.340 -2.058 0.000 0.202 749 Q C 2.231 178.223 176.000 -0.013 0.000 0.977 749 Q CA 1.400 57.187 55.803 -0.027 0.000 0.850 749 Q CB -0.196 28.563 28.738 0.035 0.000 0.901 749 Q HN 0.657 nan 8.270 nan 0.000 0.429 750 H N 0.594 119.637 119.070 -0.046 0.000 2.363 750 H HA -0.045 3.277 4.556 -2.057 0.000 0.301 750 H C 2.045 177.371 175.328 -0.003 0.000 1.074 750 H CA 1.197 57.254 56.048 0.015 0.000 1.354 750 H CB 0.029 29.856 29.762 0.109 0.000 1.397 750 H HN 0.264 nan 8.280 nan 0.000 0.516 751 I N 0.128 120.653 120.570 -0.074 0.000 2.202 751 I HA -0.321 2.614 4.170 -2.058 0.000 0.242 751 I C 1.845 177.700 176.117 -0.437 0.000 1.091 751 I CA 1.228 62.385 61.300 -0.238 0.000 1.368 751 I CB -0.276 37.398 38.000 -0.543 0.000 1.058 751 I HN 0.167 nan 8.210 nan 0.000 0.410 752 Y N 0.788 120.843 120.300 -0.408 0.000 2.242 752 Y HA -0.238 3.076 4.550 -2.060 0.000 0.291 752 Y C 2.695 178.357 175.900 -0.396 0.000 1.137 752 Y CA 1.927 59.661 58.100 -0.611 0.000 1.181 752 Y CB -0.656 37.463 38.460 -0.568 0.000 0.989 752 Y HN 0.167 nan 8.280 nan 0.000 0.527 753 T N -1.613 112.850 114.554 -0.151 0.000 2.708 753 T HA -0.252 2.864 4.350 -2.058 0.000 0.266 753 T C 1.506 176.068 174.700 -0.231 0.000 1.037 753 T CA 1.916 63.891 62.100 -0.208 0.000 1.146 753 T CB -0.496 68.260 68.868 -0.186 0.000 0.865 753 T HN 0.424 nan 8.240 nan 0.000 0.435 754 H N 0.833 119.767 119.070 -0.227 0.000 2.321 754 H HA 0.095 3.417 4.556 -2.057 0.000 0.300 754 H C 2.234 177.532 175.328 -0.049 0.000 1.087 754 H CA 1.621 57.611 56.048 -0.097 0.000 1.319 754 H CB -0.267 29.426 29.762 -0.116 0.000 1.379 754 H HN 0.235 nan 8.280 nan 0.000 0.501 755 M N -0.686 118.827 119.600 -0.144 0.000 2.159 755 M HA -0.185 3.060 4.480 -2.058 0.000 0.263 755 M C 2.419 178.828 176.300 0.181 0.000 1.063 755 M CA 1.597 56.810 55.300 -0.145 0.000 1.110 755 M CB -0.029 32.182 32.600 -0.648 0.000 1.374 755 M HN 0.219 nan 8.290 nan 0.000 0.411 756 S N -0.549 115.286 115.700 0.225 0.000 2.370 756 S HA -0.189 3.046 4.470 -2.058 0.000 0.226 756 S C 1.562 176.268 174.600 0.175 0.000 1.033 756 S CA 1.431 59.877 58.200 0.409 0.000 1.011 756 S CB -0.671 62.768 63.200 0.399 0.000 0.852 756 S HN 0.571 nan 8.310 nan 0.000 0.457 757 H N -0.596 118.536 119.070 0.103 0.000 2.353 757 H HA -0.056 3.265 4.556 -2.058 0.000 0.300 757 H C 1.945 177.273 175.328 -0.001 0.000 1.090 757 H CA 1.637 57.694 56.048 0.015 0.000 1.327 757 H CB -0.220 29.493 29.762 -0.081 0.000 1.383 757 H HN 0.366 nan 8.280 nan 0.000 0.508 758 F N 0.996 120.930 119.950 -0.026 0.000 2.102 758 F HA -0.225 3.066 4.527 -2.059 0.000 0.298 758 F C 2.097 177.851 175.800 -0.077 0.000 1.105 758 F CA 1.055 59.013 58.000 -0.070 0.000 1.239 758 F CB -0.205 38.736 39.000 -0.099 0.000 0.991 758 F HN 0.061 nan 8.300 nan 0.000 0.474 759 I N 0.647 121.226 120.570 0.014 0.000 2.179 759 I HA -0.283 2.652 4.170 -2.058 0.000 0.242 759 I C 2.287 178.200 176.117 -0.339 0.000 1.088 759 I CA 1.544 62.676 61.300 -0.280 0.000 1.357 759 I CB -1.246 36.670 38.000 -0.141 0.000 1.051 759 I HN 0.202 nan 8.210 nan 0.000 0.409 760 K N 0.361 120.719 120.400 -0.070 0.000 2.063 760 K HA -0.277 2.808 4.320 -2.058 0.000 0.208 760 K C 2.034 178.632 176.600 -0.003 0.000 1.048 760 K CA 1.948 58.251 56.287 0.027 0.000 0.928 760 K CB -0.214 32.349 32.500 0.106 0.000 0.713 760 K HN 0.356 nan 8.250 nan 0.000 0.442 761 Q N 1.032 120.787 119.800 -0.075 0.000 2.046 761 Q HA -0.184 2.921 4.340 -2.058 0.000 0.200 761 Q C 2.205 178.115 176.000 -0.149 0.000 0.975 761 Q CA 2.020 57.762 55.803 -0.102 0.000 0.836 761 Q CB -0.927 27.737 28.738 -0.123 0.000 0.896 761 Q HN 0.371 nan 8.270 nan 0.000 0.428 762 c N -0.268 118.136 118.600 -0.325 0.000 2.411 762 c HA -0.036 3.299 4.570 -2.058 0.000 0.279 762 c C 1.801 175.922 174.090 0.051 0.000 1.288 762 c CA 0.522 56.686 56.329 -0.275 0.000 1.764 762 c CB -1.385 40.809 42.510 -0.527 0.000 1.974 762 c HN 0.638 nan 8.230 nan 0.000 0.498 763 F N 1.809 121.721 119.950 -0.063 0.000 2.765 763 F HA 0.233 3.536 4.527 -2.041 0.000 0.302 763 F C 1.676 177.462 175.800 -0.024 0.000 1.111 763 F CA 0.420 58.403 58.000 -0.028 0.000 1.359 763 F CB -1.193 37.799 39.000 -0.015 0.000 1.097 763 F HN 0.282 nan 8.300 nan 0.000 0.577 764 S N 0.655 116.440 115.700 0.142 0.000 3.581 764 S HA -0.227 3.009 4.470 -2.058 0.000 0.354 764 S C 0.054 174.700 174.600 0.077 0.000 1.059 764 S CA 0.113 58.358 58.200 0.075 0.000 1.060 764 S CB -2.397 60.834 63.200 0.052 0.000 0.908 764 S HN 0.258 nan 8.310 nan 0.000 0.475 765 L N 1.896 123.180 121.223 0.103 0.000 2.276 765 L HA 0.482 3.587 4.340 -2.058 0.000 0.286 765 L C -1.225 175.691 176.870 0.076 0.000 1.061 765 L CA -1.822 53.073 54.840 0.091 0.000 0.807 765 L CB 0.524 42.656 42.059 0.120 0.000 1.177 765 L HN 0.067 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.059 0.000 0.800 766 P CB 0.000 31.726 31.700 0.043 0.000 0.726