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 2fut_1_A DATA FIRST_RESID 30 DATA SEQUENCE DVVWKDVDGV SXPIPPKTHP RLYLREQQVP DLKNRXNDPK LKKVWADXIK DATA SEQUENCE XQEDWKPADI PEVKDFRFYF NQKGLTVRVE LXALNYLXTK DPKVGREAIT DATA SEQUENCE SIIDTLETAT FKPAGDISRG IGLFXVTGAI VYDWCYDQLK PEEKTRFVKA DATA SEQUENCE FVRLAKXLEC GYPPVKDKSI VGHASEWXIX RDLLSVGIAI YDEFPEXYNL DATA SEQUENCE AAGRFFKEHL VARNWFYPSH NYHQGXSYLN VRFTNDLFAL WILDRXGAGN DATA SEQUENCE VFNPGQQFIL YDAIYKRRPD GQILAGGDVD YSRKKPKYYT XPALLAGSYY DATA SEQUENCE KDEYLNYEFL KDPNVEPHCK LFEFLWRDTQ LGSRKPDDLP LSRYSGSPFG DATA SEQUENCE WXIARTGWGP ESVIAEXKVN EYSFLNHQHQ DAGAFQIYYK GPLAIDAGSY DATA SEQUENCE TGSSGGYNSP HNKNFFKRTI AHNSLLIYDP KETFSSSGYG GSDHTDFAAN DATA SEQUENCE DGGQRLPGKG WIAPRDLKEX LAGDFRTGKI LAQGFGPDNQ TPDYTYLKGD DATA SEQUENCE ITAAYSAKVK EVKRSFLFLN LKDAKVPAAX IVFDKVVASN PDFKKFWLLH DATA SEQUENCE SIEQPEIKGN QITIKRTKNG DSGXLVNTAL LPDAANSNIT SIGGKGKDFW DATA SEQUENCE VFGTNYTNDP KPGTDEALER GEWRVEITPK KAAAEDYYLN VIQIADNTQQ DATA SEQUENCE KLHEVKRIDG DKVVGVQLAD RIVTFSKTSE TVDRPFGFSV VGKGTFKFVX DATA SEQUENCE TDLLPGTWQV LKDGKILYPA LSAKGDDGAL YFEGTEGTYR FLR 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 30 D HA 0.000 nan 4.640 nan 0.000 0.175 30 D C 0.000 176.319 176.300 0.032 0.000 2.045 30 D CA 0.000 54.024 54.000 0.040 0.000 0.868 30 D CB 0.000 40.809 40.800 0.015 0.000 0.688 31 V N 0.456 120.395 119.914 0.041 0.000 2.881 31 V HA 0.625 4.745 4.120 -0.000 0.000 0.303 31 V C 0.457 176.581 176.094 0.049 0.000 1.070 31 V CA -0.517 61.769 62.300 -0.022 0.000 1.074 31 V CB 1.708 33.457 31.823 -0.123 0.000 1.012 31 V HN -0.042 nan 8.190 nan 0.000 0.482 32 V N 3.494 123.393 119.914 -0.025 0.000 2.539 32 V HA 0.349 4.469 4.120 -0.000 0.000 0.292 32 V C -0.589 175.497 176.094 -0.013 0.000 1.045 32 V CA -0.256 62.077 62.300 0.054 0.000 0.945 32 V CB 1.422 33.256 31.823 0.018 0.000 0.993 32 V HN 0.978 nan 8.190 nan 0.000 0.464 33 W N 4.743 126.006 121.300 -0.062 0.000 2.278 33 W HA 0.549 5.209 4.660 -0.000 0.000 0.317 33 W C 0.222 176.701 176.519 -0.067 0.000 1.030 33 W CA -0.754 56.542 57.345 -0.082 0.000 1.334 33 W CB 0.922 30.334 29.460 -0.081 0.000 1.215 33 W HN 0.479 nan 8.180 nan 0.000 0.405 34 K N 2.102 122.539 120.400 0.062 0.000 2.244 34 K HA 0.429 4.749 4.320 -0.000 0.000 0.260 34 K C -0.712 175.904 176.600 0.028 0.000 0.951 34 K CA -0.754 55.560 56.287 0.045 0.000 0.826 34 K CB 1.418 33.930 32.500 0.019 0.000 1.108 34 K HN 0.141 nan 8.250 nan 0.000 0.433 35 D N 2.491 122.913 120.400 0.037 0.000 2.434 35 D HA 0.068 4.707 4.640 -0.000 0.000 0.252 35 D C -0.801 175.502 176.300 0.005 0.000 1.185 35 D CA 0.122 54.136 54.000 0.023 0.000 0.886 35 D CB 0.953 41.766 40.800 0.022 0.000 1.148 35 D HN 0.268 nan 8.370 nan 0.000 0.483 36 V N 3.641 123.550 119.914 -0.008 0.000 2.334 36 V HA 0.184 4.304 4.120 -0.000 0.000 0.281 36 V C -0.337 175.754 176.094 -0.005 0.000 1.016 36 V CA -0.867 61.428 62.300 -0.008 0.000 0.832 36 V CB 1.430 33.245 31.823 -0.014 0.000 0.999 36 V HN 0.635 nan 8.190 nan 0.000 0.439 37 D N 4.110 124.508 120.400 -0.004 0.000 2.746 37 D HA -0.186 4.454 4.640 -0.000 0.000 0.236 37 D C 1.305 177.602 176.300 -0.005 0.000 1.129 37 D CA 1.534 55.531 54.000 -0.005 0.000 0.691 37 D CB -1.341 39.454 40.800 -0.007 0.000 1.077 37 D HN 1.407 nan 8.370 nan 0.000 0.432 38 G N -2.238 106.560 108.800 -0.002 0.000 2.234 38 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 38 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 38 G C 0.349 175.252 174.900 0.004 0.000 0.987 38 G CA 0.289 45.388 45.100 -0.002 0.000 0.625 38 G HN 0.707 nan 8.290 nan 0.000 0.532 39 V N 1.876 121.795 119.914 0.009 0.000 2.347 39 V HA 0.657 4.777 4.120 -0.000 0.000 0.280 39 V C 1.105 177.212 176.094 0.022 0.000 1.021 39 V CA 0.230 62.544 62.300 0.024 0.000 0.847 39 V CB 1.256 33.101 31.823 0.036 0.000 0.990 39 V HN 0.495 nan 8.190 nan 0.000 0.444 43 I N 2.517 122.771 120.570 -0.526 0.000 2.331 43 I HA 0.285 4.455 4.170 -0.000 0.000 0.292 43 I C -2.142 173.614 176.117 -0.601 0.000 0.998 43 I CA -2.193 58.809 61.300 -0.497 0.000 1.267 43 I CB 1.724 39.554 38.000 -0.283 0.000 1.386 43 I HN 0.094 nan 8.210 nan 0.000 0.476 44 P HA 0.030 nan 4.420 nan 0.000 0.262 44 P C -2.352 174.667 177.300 -0.469 0.000 1.182 44 P CA -0.628 62.016 63.100 -0.761 0.000 0.761 44 P CB -0.261 30.785 31.700 -1.089 0.000 0.795 45 P HA 0.087 nan 4.420 nan 0.000 0.271 45 P C -0.472 176.701 177.300 -0.211 0.000 1.218 45 P CA -0.113 62.862 63.100 -0.208 0.000 0.780 45 P CB 0.628 32.233 31.700 -0.159 0.000 0.901 46 K N 0.978 121.296 120.400 -0.136 0.000 2.408 46 K HA 0.262 4.582 4.320 -0.000 0.000 0.231 46 K C 0.371 176.887 176.600 -0.140 0.000 1.261 46 K CA 0.345 56.562 56.287 -0.115 0.000 1.193 46 K CB -0.771 31.705 32.500 -0.039 0.000 1.431 46 K HN 0.399 nan 8.250 nan 0.000 0.243 47 T N -0.124 114.269 114.554 -0.268 0.000 2.885 47 T HA 0.277 4.627 4.350 -0.000 0.000 0.322 47 T C -1.869 172.569 174.700 -0.436 0.000 1.387 47 T CA -0.836 61.134 62.100 -0.216 0.000 1.041 47 T CB 0.690 69.493 68.868 -0.108 0.000 1.287 47 T HN 0.342 nan 8.240 nan 0.000 0.491 48 H N 2.257 121.295 119.070 -0.054 0.000 2.768 48 H HA 0.504 5.060 4.556 -0.000 0.000 0.371 48 H C -2.326 173.024 175.328 0.037 0.000 1.151 48 H CA -1.405 54.638 56.048 -0.009 0.000 1.165 48 H CB 2.198 31.951 29.762 -0.014 0.000 1.722 48 H HN 0.473 nan 8.280 nan 0.000 0.543 49 P HA 0.213 nan 4.420 nan 0.000 0.277 49 P C 0.132 177.501 177.300 0.115 0.000 1.240 49 P CA -0.497 62.742 63.100 0.232 0.000 0.798 49 P CB 1.667 33.455 31.700 0.147 0.000 0.979 50 R N 0.213 120.788 120.500 0.124 0.000 2.539 50 R HA 0.322 4.661 4.340 -0.000 0.000 0.342 50 R C -0.113 176.245 176.300 0.097 0.000 0.941 50 R CA -0.447 55.677 56.100 0.039 0.000 1.146 50 R CB -0.182 30.047 30.300 -0.118 0.000 1.541 50 R HN 0.219 nan 8.270 nan 0.000 0.525 51 L N 2.072 123.392 121.223 0.162 0.000 2.261 51 L HA 0.288 4.628 4.340 -0.000 0.000 0.289 51 L C -0.337 176.661 176.870 0.214 0.000 1.059 51 L CA 0.163 55.001 54.840 -0.003 0.000 0.816 51 L CB -0.212 41.689 42.059 -0.263 0.000 1.191 51 L HN 0.413 nan 8.230 nan 0.000 0.431 52 Y N 3.522 124.170 120.300 0.581 0.000 4.779 52 Y HA -0.343 4.206 4.550 -0.000 0.000 0.284 52 Y C 0.164 176.480 175.900 0.694 0.000 0.973 52 Y CA 0.808 59.394 58.100 0.810 0.000 1.792 52 Y CB -1.541 37.401 38.460 0.802 0.000 1.120 52 Y HN 0.595 nan 8.280 nan 0.000 0.450 53 L N -3.234 118.321 121.223 0.553 0.000 2.940 53 L HA 0.842 5.182 4.340 -0.000 0.000 0.270 53 L C -0.824 176.157 176.870 0.185 0.000 1.030 53 L CA -1.395 53.645 54.840 0.333 0.000 0.928 53 L CB 1.705 43.910 42.059 0.244 0.000 1.506 53 L HN -0.164 nan 8.230 nan 0.000 0.405 54 R N 0.382 120.946 120.500 0.106 0.000 3.006 54 R HA 0.336 4.676 4.340 -0.000 0.000 0.235 54 R C 0.271 176.576 176.300 0.009 0.000 1.362 54 R CA -0.752 55.377 56.100 0.049 0.000 1.067 54 R CB 1.073 31.393 30.300 0.034 0.000 1.396 54 R HN 0.875 nan 8.270 nan 0.000 0.504 55 E N 1.268 121.466 120.200 -0.005 0.000 2.204 55 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 55 E C 1.615 178.199 176.600 -0.027 0.000 0.989 55 E CA 1.611 57.996 56.400 -0.024 0.000 0.824 55 E CB 0.086 29.776 29.700 -0.016 0.000 0.756 55 E HN 0.539 nan 8.360 nan 0.000 0.477 56 Q N -0.049 119.743 119.800 -0.014 0.000 2.297 56 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 56 Q C 1.499 177.489 176.000 -0.017 0.000 0.962 56 Q CA 1.176 56.970 55.803 -0.015 0.000 0.879 56 Q CB -0.187 28.545 28.738 -0.009 0.000 0.947 56 Q HN 0.333 nan 8.270 nan 0.000 0.462 57 Q N 0.240 120.035 119.800 -0.009 0.000 2.392 57 Q HA 0.073 4.413 4.340 -0.000 0.000 0.203 57 Q C 1.931 177.905 176.000 -0.043 0.000 0.917 57 Q CA 0.537 56.334 55.803 -0.010 0.000 0.939 57 Q CB -0.027 28.731 28.738 0.034 0.000 1.063 57 Q HN 0.249 nan 8.270 nan 0.000 0.516 58 V N 2.478 122.353 119.914 -0.065 0.000 2.287 58 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 58 V C -0.442 175.601 176.094 -0.085 0.000 1.053 58 V CA 2.137 64.376 62.300 -0.102 0.000 1.027 58 V CB -1.745 30.003 31.823 -0.125 0.000 0.646 58 V HN 0.248 nan 8.190 nan 0.000 0.447 59 P HA -0.162 nan 4.420 nan 0.000 0.217 59 P C 1.200 178.463 177.300 -0.063 0.000 1.148 59 P CA 1.619 64.681 63.100 -0.062 0.000 0.828 59 P CB -0.047 31.623 31.700 -0.051 0.000 0.783 60 D N -1.384 118.979 120.400 -0.063 0.000 2.348 60 D HA -0.054 4.586 4.640 -0.000 0.000 0.216 60 D C 1.700 177.942 176.300 -0.096 0.000 0.970 60 D CA 0.462 54.419 54.000 -0.072 0.000 0.889 60 D CB -0.575 40.187 40.800 -0.063 0.000 0.912 60 D HN 0.065 nan 8.370 nan 0.000 0.524 61 L N -0.057 121.114 121.223 -0.087 0.000 2.131 61 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 61 L C 2.465 179.311 176.870 -0.039 0.000 1.092 61 L CA 0.932 55.730 54.840 -0.070 0.000 0.759 61 L CB -0.335 41.713 42.059 -0.019 0.000 0.903 61 L HN 0.027 nan 8.230 nan 0.000 0.435 62 K N 0.254 120.618 120.400 -0.060 0.000 2.057 62 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 62 K C 1.917 178.470 176.600 -0.079 0.000 1.050 62 K CA 1.342 57.587 56.287 -0.071 0.000 0.935 62 K CB 0.088 32.545 32.500 -0.071 0.000 0.715 62 K HN 0.305 nan 8.250 nan 0.000 0.439 63 N N 0.951 119.603 118.700 -0.080 0.000 2.120 63 N HA -0.115 4.624 4.740 -0.000 0.000 0.188 63 N C 0.640 176.091 175.510 -0.098 0.000 1.024 63 N CA 0.964 53.966 53.050 -0.081 0.000 0.852 63 N CB -0.274 38.168 38.487 -0.075 0.000 1.003 63 N HN 0.172 nan 8.380 nan 0.000 0.424 67 D N 2.318 122.700 120.400 -0.029 0.000 2.358 67 D HA 0.111 4.750 4.640 -0.000 0.000 0.258 67 D C -1.618 174.688 176.300 0.011 0.000 1.223 67 D CA -1.597 52.393 54.000 -0.017 0.000 0.886 67 D CB 1.311 42.092 40.800 -0.032 0.000 1.120 67 D HN 0.046 nan 8.370 nan 0.000 0.482 68 P HA -0.098 nan 4.420 nan 0.000 0.226 68 P C 0.785 178.103 177.300 0.030 0.000 1.146 68 P CA 1.070 64.180 63.100 0.016 0.000 0.773 68 P CB 0.344 32.048 31.700 0.006 0.000 0.772 69 K N -0.981 119.439 120.400 0.033 0.000 2.202 69 K HA 0.154 4.474 4.320 -0.000 0.000 0.201 69 K C 1.545 178.192 176.600 0.079 0.000 1.051 69 K CA 0.748 57.063 56.287 0.046 0.000 0.977 69 K CB -0.162 32.363 32.500 0.041 0.000 0.792 69 K HN 0.204 nan 8.250 nan 0.000 0.469 70 L N 0.925 122.205 121.223 0.094 0.000 2.592 70 L HA 0.096 4.436 4.340 -0.000 0.000 0.227 70 L C 1.990 179.021 176.870 0.268 0.000 1.127 70 L CA 0.093 55.039 54.840 0.177 0.000 0.884 70 L CB 0.091 42.230 42.059 0.133 0.000 1.065 70 L HN -0.059 nan 8.230 nan 0.000 0.457 71 K N 0.494 121.003 120.400 0.181 0.000 2.314 71 K HA -0.014 4.306 4.320 -0.000 0.000 0.198 71 K C 1.977 178.693 176.600 0.194 0.000 1.045 71 K CA 0.467 56.876 56.287 0.203 0.000 0.988 71 K CB 0.290 32.856 32.500 0.110 0.000 0.783 71 K HN 0.056 nan 8.250 nan 0.000 0.484 72 K N 1.136 121.614 120.400 0.130 0.000 2.057 72 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 72 K C 1.890 178.539 176.600 0.081 0.000 1.050 72 K CA 0.872 57.210 56.287 0.084 0.000 0.935 72 K CB -0.327 32.202 32.500 0.048 0.000 0.715 72 K HN 0.003 nan 8.250 nan 0.000 0.439 73 V N -0.029 119.957 119.914 0.120 0.000 2.548 73 V HA -0.167 3.953 4.120 -0.000 0.000 0.249 73 V C 1.883 178.021 176.094 0.074 0.000 1.055 73 V CA 1.594 63.952 62.300 0.097 0.000 1.065 73 V CB -0.442 31.462 31.823 0.136 0.000 0.681 73 V HN 0.496 nan 8.190 nan 0.000 0.462 74 W N 0.883 122.164 121.300 -0.032 0.000 2.381 74 W HA -0.023 4.637 4.660 -0.000 0.000 0.301 74 W C 2.438 178.883 176.519 -0.122 0.000 1.205 74 W CA 2.297 59.548 57.345 -0.157 0.000 1.285 74 W CB -0.399 28.959 29.460 -0.170 0.000 1.133 74 W HN 0.306 nan 8.180 nan 0.000 0.521 75 A N 0.036 122.891 122.820 0.059 0.000 1.933 75 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 75 A C 1.123 178.601 177.584 -0.176 0.000 1.175 75 A CA 1.565 53.559 52.037 -0.070 0.000 0.628 75 A CB -0.932 18.087 19.000 0.032 0.000 0.814 75 A HN 0.144 nan 8.150 nan 0.000 0.444 82 E N 2.130 122.256 120.200 -0.124 0.000 2.384 82 E HA 0.013 4.363 4.350 -0.000 0.000 0.266 82 E C -0.780 175.751 176.600 -0.114 0.000 1.012 82 E CA -0.097 56.239 56.400 -0.107 0.000 0.901 82 E CB 0.615 30.245 29.700 -0.117 0.000 0.967 82 E HN -0.010 nan 8.360 nan 0.000 0.435 83 D N 2.763 123.132 120.400 -0.053 0.000 2.361 83 D HA -0.022 4.618 4.640 -0.000 0.000 0.239 83 D C -0.578 175.717 176.300 -0.008 0.000 1.200 83 D CA 0.186 54.192 54.000 0.009 0.000 0.915 83 D CB 0.279 41.115 40.800 0.060 0.000 1.170 83 D HN 0.344 nan 8.370 nan 0.000 0.444 84 W N 1.459 122.733 121.300 -0.042 0.000 2.347 84 W HA -0.003 4.657 4.660 -0.000 0.000 0.333 84 W C 1.138 177.653 176.519 -0.007 0.000 1.383 84 W CA 0.080 57.414 57.345 -0.019 0.000 1.283 84 W CB 0.284 29.768 29.460 0.040 0.000 1.253 84 W HN -0.151 nan 8.180 nan 0.000 0.563 85 K N 5.486 125.988 120.400 0.170 0.000 2.451 85 K HA -0.044 4.276 4.320 -0.000 0.000 0.280 85 K C -1.429 175.271 176.600 0.167 0.000 1.020 85 K CA -0.752 55.607 56.287 0.120 0.000 1.008 85 K CB 0.510 33.047 32.500 0.062 0.000 0.917 85 K HN 0.176 nan 8.250 nan 0.000 0.478 86 P HA -0.183 nan 4.420 nan 0.000 0.218 86 P C 0.873 178.206 177.300 0.055 0.000 1.146 86 P CA 1.183 64.325 63.100 0.071 0.000 0.813 86 P CB 0.246 31.967 31.700 0.035 0.000 0.778 87 A N -0.220 122.636 122.820 0.059 0.000 1.969 87 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 87 A C 1.819 179.447 177.584 0.072 0.000 1.169 87 A CA 1.775 53.839 52.037 0.046 0.000 0.635 87 A CB -1.089 17.934 19.000 0.037 0.000 0.810 87 A HN 0.089 nan 8.150 nan 0.000 0.445 88 D N -0.304 120.185 120.400 0.147 0.000 2.347 88 D HA 0.096 4.735 4.640 -0.000 0.000 0.213 88 D C 0.408 176.849 176.300 0.235 0.000 0.985 88 D CA 0.185 54.328 54.000 0.237 0.000 0.879 88 D CB -0.161 40.848 40.800 0.349 0.000 0.919 88 D HN 0.458 nan 8.370 nan 0.000 0.526 89 I N 3.425 124.055 120.570 0.101 0.000 2.581 89 I HA -0.024 4.146 4.170 -0.000 0.000 0.285 89 I C -0.880 175.093 176.117 -0.240 0.000 1.129 89 I CA -0.985 60.210 61.300 -0.174 0.000 1.397 89 I CB 0.813 38.693 38.000 -0.199 0.000 1.399 89 I HN -0.149 nan 8.210 nan 0.000 0.537 90 P HA -0.141 nan 4.420 nan 0.000 0.223 90 P C 0.507 177.640 177.300 -0.277 0.000 1.151 90 P CA 0.907 63.849 63.100 -0.262 0.000 0.787 90 P CB 0.204 31.743 31.700 -0.269 0.000 0.788 91 E N -1.937 118.029 120.200 -0.390 0.000 3.649 91 E HA -0.152 4.198 4.350 -0.000 0.000 0.305 91 E C 0.120 176.568 176.600 -0.253 0.000 0.760 91 E CA 1.230 57.440 56.400 -0.316 0.000 1.038 91 E CB -2.154 27.418 29.700 -0.213 0.000 1.531 91 E HN 0.332 nan 8.360 nan 0.000 0.459 92 V N -0.029 119.741 119.914 -0.240 0.000 2.293 92 V HA 0.346 4.466 4.120 -0.000 0.000 0.275 92 V C 0.380 176.319 176.094 -0.259 0.000 1.021 92 V CA -0.603 61.579 62.300 -0.196 0.000 0.815 92 V CB 1.230 32.982 31.823 -0.118 0.000 1.025 92 V HN -0.044 nan 8.190 nan 0.000 0.448 93 K N 4.381 124.592 120.400 -0.314 0.000 2.244 93 K HA 0.298 4.618 4.320 -0.000 0.000 0.263 93 K C -0.111 176.455 176.600 -0.056 0.000 1.103 93 K CA -0.467 55.572 56.287 -0.413 0.000 0.966 93 K CB 0.653 32.689 32.500 -0.773 0.000 1.429 93 K HN 0.888 nan 8.250 nan 0.000 0.434 94 D N 1.800 122.175 120.400 -0.042 0.000 2.425 94 D HA -0.056 4.584 4.640 -0.000 0.000 0.274 94 D C 1.186 177.562 176.300 0.126 0.000 1.242 94 D CA -0.652 53.378 54.000 0.050 0.000 1.060 94 D CB 0.136 40.919 40.800 -0.028 0.000 1.112 94 D HN 0.343 nan 8.370 nan 0.000 0.561 95 F N -0.501 119.451 119.950 0.003 0.000 2.202 95 F HA -0.006 4.521 4.527 -0.000 0.000 0.301 95 F C 2.181 177.879 175.800 -0.171 0.000 1.082 95 F CA 0.783 58.670 58.000 -0.188 0.000 1.313 95 F CB -0.452 38.258 39.000 -0.483 0.000 1.024 95 F HN 0.025 nan 8.300 nan 0.000 0.495 96 R N -0.235 119.776 120.500 -0.814 0.000 2.120 96 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 96 R C 2.124 178.401 176.300 -0.039 0.000 1.123 96 R CA 1.678 57.504 56.100 -0.456 0.000 0.975 96 R CB -0.888 29.106 30.300 -0.511 0.000 0.866 96 R HN 0.453 nan 8.270 nan 0.000 0.446 97 F N 0.505 120.329 119.950 -0.210 0.000 2.134 97 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 97 F C 1.482 177.182 175.800 -0.166 0.000 1.097 97 F CA 1.363 59.194 58.000 -0.281 0.000 1.264 97 F CB -0.171 38.442 39.000 -0.645 0.000 1.001 97 F HN -0.082 nan 8.300 nan 0.000 0.479 98 Y N -1.616 118.697 120.300 0.022 0.000 2.243 98 Y HA -0.109 4.441 4.550 -0.000 0.000 0.293 98 Y C 2.226 178.222 175.900 0.160 0.000 1.124 98 Y CA 0.960 59.078 58.100 0.029 0.000 1.159 98 Y CB -0.737 37.793 38.460 0.115 0.000 1.008 98 Y HN -0.023 nan 8.280 nan 0.000 0.527 99 F N 0.269 120.238 119.950 0.031 0.000 2.293 99 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 99 F C 1.327 177.182 175.800 0.093 0.000 1.086 99 F CA 0.703 58.650 58.000 -0.089 0.000 1.375 99 F CB -1.037 37.905 39.000 -0.096 0.000 1.045 99 F HN 0.092 nan 8.300 nan 0.000 0.516 100 N N 1.011 119.862 118.700 0.251 0.000 3.254 100 N HA -0.043 4.697 4.740 -0.000 0.000 0.308 100 N C 0.131 175.669 175.510 0.048 0.000 1.281 100 N CA -0.174 52.955 53.050 0.132 0.000 1.212 100 N CB -0.206 38.371 38.487 0.151 0.000 1.478 100 N HN 0.269 nan 8.380 nan 0.000 0.548 101 Q N 2.342 122.181 119.800 0.065 0.000 2.271 101 Q HA 0.048 4.387 4.340 -0.000 0.000 0.273 101 Q C -0.907 175.052 176.000 -0.068 0.000 1.051 101 Q CA 0.553 56.380 55.803 0.040 0.000 0.901 101 Q CB 0.520 29.315 28.738 0.095 0.000 1.174 101 Q HN 0.368 nan 8.270 nan 0.000 0.385 102 K N 2.058 122.412 120.400 -0.077 0.000 2.443 102 K HA 0.719 5.038 4.320 -0.000 0.000 0.251 102 K C -0.132 176.449 176.600 -0.032 0.000 0.972 102 K CA -0.314 55.874 56.287 -0.165 0.000 0.833 102 K CB 1.932 34.147 32.500 -0.475 0.000 1.317 102 K HN 0.883 nan 8.250 nan 0.000 0.441 103 G N 0.844 109.614 108.800 -0.049 0.000 2.488 103 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.237 103 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.237 103 G C 0.391 175.305 174.900 0.022 0.000 1.209 103 G CA 0.143 45.246 45.100 0.006 0.000 0.929 103 G HN 0.508 nan 8.290 nan 0.000 0.578 104 L N 1.479 122.735 121.223 0.055 0.000 2.013 104 L HA -0.013 4.327 4.340 -0.000 0.000 0.212 104 L C 3.415 180.335 176.870 0.083 0.000 1.073 104 L CA 4.128 59.007 54.840 0.065 0.000 0.753 104 L CB -1.170 40.939 42.059 0.083 0.000 0.890 104 L HN 1.260 nan 8.230 nan 0.000 0.432 105 T N -4.176 110.452 114.554 0.124 0.000 2.788 105 T HA -0.166 4.183 4.350 -0.000 0.000 0.268 105 T C 1.864 176.604 174.700 0.067 0.000 1.044 105 T CA 1.531 63.717 62.100 0.143 0.000 1.139 105 T CB -1.193 67.815 68.868 0.234 0.000 0.867 105 T HN 0.174 nan 8.240 nan 0.000 0.454 106 V N 1.644 121.575 119.914 0.028 0.000 2.343 106 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 106 V C 3.040 179.111 176.094 -0.038 0.000 1.051 106 V CA 1.823 64.105 62.300 -0.031 0.000 1.036 106 V CB -0.741 31.038 31.823 -0.073 0.000 0.654 106 V HN 0.430 nan 8.190 nan 0.000 0.451 107 R N 0.131 120.619 120.500 -0.020 0.000 2.083 107 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 107 R C 2.380 178.687 176.300 0.011 0.000 1.137 107 R CA 1.921 58.011 56.100 -0.017 0.000 0.951 107 R CB -0.621 29.675 30.300 -0.006 0.000 0.851 107 R HN 0.613 nan 8.270 nan 0.000 0.434 108 V N -1.154 118.779 119.914 0.032 0.000 2.515 108 V HA -0.146 3.974 4.120 -0.000 0.000 0.250 108 V C 1.596 177.721 176.094 0.052 0.000 1.058 108 V CA 1.618 63.947 62.300 0.049 0.000 1.064 108 V CB -0.403 31.456 31.823 0.061 0.000 0.675 108 V HN 0.246 nan 8.190 nan 0.000 0.461 109 E N 0.556 120.771 120.200 0.025 0.000 2.077 109 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 109 E C 1.129 177.779 176.600 0.082 0.000 0.989 109 E CA 0.906 57.311 56.400 0.008 0.000 0.800 109 E CB -0.143 29.526 29.700 -0.051 0.000 0.746 109 E HN 0.610 nan 8.360 nan 0.000 0.452 113 L N 1.898 123.431 121.223 0.516 0.000 2.083 113 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 113 L C 1.719 178.704 176.870 0.191 0.000 1.083 113 L CA 3.015 58.073 54.840 0.362 0.000 0.752 113 L CB -0.789 41.471 42.059 0.335 0.000 0.899 113 L HN 0.629 nan 8.230 nan 0.000 0.433 114 N N -2.104 116.720 118.700 0.207 0.000 2.188 114 N HA -0.286 4.454 4.740 -0.000 0.000 0.184 114 N C 1.981 177.578 175.510 0.146 0.000 1.018 114 N CA 1.233 54.375 53.050 0.153 0.000 0.858 114 N CB -0.381 38.198 38.487 0.154 0.000 0.989 114 N HN 0.483 nan 8.380 nan 0.000 0.426 115 Y N 1.218 121.573 120.300 0.093 0.000 2.145 115 Y HA 0.005 4.555 4.550 -0.000 0.000 0.286 115 Y C 0.897 176.822 175.900 0.042 0.000 1.145 115 Y CA 0.916 59.059 58.100 0.072 0.000 1.148 115 Y CB -0.464 38.052 38.460 0.094 0.000 0.981 115 Y HN 0.024 nan 8.280 nan 0.000 0.507 119 K N 1.357 121.564 120.400 -0.322 0.000 3.193 119 K HA -0.168 4.152 4.320 -0.000 0.000 0.294 119 K C -0.402 176.172 176.600 -0.044 0.000 1.185 119 K CA 1.177 57.193 56.287 -0.453 0.000 0.866 119 K CB -2.127 30.200 32.500 -0.288 0.000 1.227 119 K HN 0.734 nan 8.250 nan 0.000 0.467 120 D N 1.128 121.584 120.400 0.093 0.000 2.342 120 D HA 0.116 4.756 4.640 -0.000 0.000 0.260 120 D C -1.275 175.213 176.300 0.313 0.000 1.278 120 D CA -2.120 51.981 54.000 0.169 0.000 0.910 120 D CB 0.975 41.845 40.800 0.117 0.000 1.079 120 D HN -0.038 nan 8.370 nan 0.000 0.496 121 P HA -0.237 nan 4.420 nan 0.000 0.216 121 P C 1.064 178.376 177.300 0.021 0.000 1.157 121 P CA 2.030 65.234 63.100 0.173 0.000 0.880 121 P CB 0.011 31.765 31.700 0.090 0.000 0.791 122 K N -0.855 119.568 120.400 0.038 0.000 2.283 122 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 122 K C 1.676 178.274 176.600 -0.003 0.000 1.048 122 K CA 1.234 57.522 56.287 0.002 0.000 0.948 122 K CB -1.081 31.429 32.500 0.015 0.000 0.742 122 K HN 0.010 nan 8.250 nan 0.000 0.458 123 V N 1.973 121.917 119.914 0.049 0.000 2.307 123 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 123 V C 2.649 178.719 176.094 -0.041 0.000 1.045 123 V CA 2.073 64.414 62.300 0.069 0.000 1.024 123 V CB -1.026 30.909 31.823 0.187 0.000 0.651 123 V HN 0.639 nan 8.190 nan 0.000 0.449 124 G N 0.173 108.799 108.800 -0.291 0.000 2.469 124 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 124 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 124 G C 1.719 176.412 174.900 -0.345 0.000 1.150 124 G CA 0.638 45.299 45.100 -0.731 0.000 0.763 124 G HN 0.307 nan 8.290 nan 0.000 0.561 125 R N 0.381 120.742 120.500 -0.231 0.000 2.073 125 R HA -0.022 4.318 4.340 -0.000 0.000 0.234 125 R C 2.347 178.605 176.300 -0.071 0.000 1.134 125 R CA 1.277 57.298 56.100 -0.131 0.000 0.952 125 R CB -0.947 29.299 30.300 -0.089 0.000 0.850 125 R HN 0.572 nan 8.270 nan 0.000 0.433 126 E N 0.258 120.431 120.200 -0.045 0.000 2.077 126 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 126 E C 1.891 178.492 176.600 0.002 0.000 0.989 126 E CA 1.132 57.526 56.400 -0.011 0.000 0.800 126 E CB 0.007 29.711 29.700 0.006 0.000 0.746 126 E HN 0.313 nan 8.360 nan 0.000 0.452 127 A N 0.994 123.813 122.820 -0.002 0.000 1.883 127 A HA -0.217 4.102 4.320 -0.000 0.000 0.217 127 A C 2.125 179.738 177.584 0.049 0.000 1.186 127 A CA 1.546 53.599 52.037 0.028 0.000 0.624 127 A CB -0.706 18.315 19.000 0.035 0.000 0.822 127 A HN 0.274 nan 8.150 nan 0.000 0.444 128 I N 0.120 120.702 120.570 0.021 0.000 2.142 128 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 128 I C 2.810 178.998 176.117 0.118 0.000 1.078 128 I CA 1.987 63.351 61.300 0.108 0.000 1.343 128 I CB -0.663 37.341 38.000 0.007 0.000 1.046 128 I HN 0.532 nan 8.210 nan 0.000 0.405 129 T N -2.809 111.770 114.554 0.040 0.000 2.995 129 T HA -0.030 4.320 4.350 -0.000 0.000 0.269 129 T C 1.828 176.532 174.700 0.008 0.000 1.091 129 T CA 1.148 63.257 62.100 0.016 0.000 1.128 129 T CB -0.268 68.598 68.868 -0.003 0.000 0.891 129 T HN 0.159 nan 8.240 nan 0.000 0.492 130 S N 0.665 116.378 115.700 0.021 0.000 2.461 130 S HA 0.212 4.682 4.470 -0.000 0.000 0.228 130 S C 1.616 176.232 174.600 0.026 0.000 1.005 130 S CA 0.388 58.601 58.200 0.022 0.000 0.942 130 S CB -0.181 63.037 63.200 0.030 0.000 0.776 130 S HN 0.436 nan 8.310 nan 0.000 0.514 131 I N 0.103 120.688 120.570 0.025 0.000 3.790 131 I HA 0.271 4.441 4.170 -0.000 0.000 0.305 131 I C 1.474 177.511 176.117 -0.134 0.000 1.253 131 I CA 0.001 61.300 61.300 -0.001 0.000 1.355 131 I CB -0.023 37.998 38.000 0.035 0.000 1.137 131 I HN 0.094 nan 8.210 nan 0.000 0.435 132 I N 1.088 121.544 120.570 -0.189 0.000 2.163 132 I HA -0.302 3.867 4.170 -0.000 0.000 0.243 132 I C 1.965 177.891 176.117 -0.318 0.000 1.085 132 I CA 1.940 62.972 61.300 -0.447 0.000 1.347 132 I CB -0.574 37.228 38.000 -0.329 0.000 1.044 132 I HN 0.246 nan 8.210 nan 0.000 0.408 133 D N -0.691 119.613 120.400 -0.160 0.000 2.123 133 D HA -0.173 4.467 4.640 -0.000 0.000 0.200 133 D C 2.107 178.369 176.300 -0.064 0.000 0.976 133 D CA 1.858 55.794 54.000 -0.107 0.000 0.831 133 D CB -0.285 40.476 40.800 -0.065 0.000 0.974 133 D HN 0.381 nan 8.370 nan 0.000 0.469 134 T N 0.665 115.213 114.554 -0.009 0.000 2.821 134 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 134 T C 1.970 176.820 174.700 0.249 0.000 1.046 134 T CA 0.432 62.589 62.100 0.095 0.000 1.139 134 T CB -0.186 68.775 68.868 0.155 0.000 0.871 134 T HN -0.056 nan 8.240 nan 0.000 0.454 135 L N 1.008 122.298 121.223 0.111 0.000 2.131 135 L HA 0.052 4.392 4.340 -0.000 0.000 0.210 135 L C 2.353 179.193 176.870 -0.050 0.000 1.092 135 L CA 1.840 56.651 54.840 -0.049 0.000 0.759 135 L CB -0.424 41.311 42.059 -0.539 0.000 0.903 135 L HN 0.348 nan 8.230 nan 0.000 0.435 136 E N -1.857 118.266 120.200 -0.127 0.000 2.152 136 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 136 E C 1.534 178.112 176.600 -0.037 0.000 0.983 136 E CA 1.465 57.797 56.400 -0.113 0.000 0.818 136 E CB 0.077 29.692 29.700 -0.142 0.000 0.758 136 E HN 0.449 nan 8.360 nan 0.000 0.467 137 T N 0.291 114.836 114.554 -0.015 0.000 2.990 137 T HA 0.234 4.584 4.350 -0.000 0.000 0.250 137 T C 0.513 175.180 174.700 -0.055 0.000 1.041 137 T CA 0.127 62.207 62.100 -0.033 0.000 1.010 137 T CB 0.472 69.310 68.868 -0.049 0.000 1.003 137 T HN 0.107 nan 8.240 nan 0.000 0.499 138 A N 2.414 125.210 122.820 -0.041 0.000 2.565 138 A HA 0.432 4.752 4.320 -0.000 0.000 0.237 138 A C 0.515 177.937 177.584 -0.270 0.000 1.053 138 A CA 0.221 52.105 52.037 -0.255 0.000 0.755 138 A CB -0.110 18.621 19.000 -0.449 0.000 0.980 138 A HN 0.325 nan 8.150 nan 0.000 0.506 139 T N 1.133 115.410 114.554 -0.462 0.000 2.912 139 T HA 0.687 5.036 4.350 -0.000 0.000 0.288 139 T C -0.860 173.471 174.700 -0.616 0.000 1.030 139 T CA -0.148 61.761 62.100 -0.319 0.000 1.020 139 T CB 1.013 69.775 68.868 -0.177 0.000 1.056 139 T HN 0.347 nan 8.240 nan 0.000 0.480 140 F N 1.238 121.146 119.950 -0.070 0.000 2.612 140 F HA 0.389 4.916 4.527 -0.000 0.000 0.332 140 F C 0.486 176.256 175.800 -0.050 0.000 1.167 140 F CA -1.129 56.830 58.000 -0.069 0.000 0.970 140 F CB 1.544 40.476 39.000 -0.113 0.000 1.234 140 F HN 0.233 nan 8.300 nan 0.000 0.453 141 K N 3.881 124.327 120.400 0.078 0.000 2.451 141 K HA 0.170 4.490 4.320 -0.000 0.000 0.280 141 K C -2.352 174.281 176.600 0.055 0.000 1.020 141 K CA -1.449 54.858 56.287 0.034 0.000 1.008 141 K CB 0.304 32.791 32.500 -0.022 0.000 0.917 141 K HN 0.204 nan 8.250 nan 0.000 0.478 142 P HA -0.056 nan 4.420 nan 0.000 0.260 142 P C -1.102 176.209 177.300 0.017 0.000 1.185 142 P CA 0.414 63.526 63.100 0.021 0.000 0.763 142 P CB 0.750 32.457 31.700 0.011 0.000 0.776 143 A N 3.138 125.973 122.820 0.024 0.000 2.557 143 A HA 0.700 5.020 4.320 -0.000 0.000 0.292 143 A C 0.014 177.625 177.584 0.045 0.000 1.139 143 A CA -0.350 51.705 52.037 0.030 0.000 0.665 143 A CB 0.505 19.526 19.000 0.036 0.000 1.285 143 A HN 0.485 nan 8.150 nan 0.000 0.433 144 G N 1.004 109.849 108.800 0.074 0.000 2.151 144 G HA2 0.374 4.334 3.960 -0.000 0.000 0.269 144 G HA3 0.374 4.334 3.960 -0.000 0.000 0.269 144 G C -0.167 174.846 174.900 0.189 0.000 1.069 144 G CA 1.122 46.303 45.100 0.134 0.000 1.080 144 G HN 0.843 nan 8.290 nan 0.000 0.405 145 D N 0.913 121.336 120.400 0.038 0.000 2.708 145 D HA -0.207 4.433 4.640 -0.000 0.000 0.236 145 D C 1.424 177.682 176.300 -0.070 0.000 1.146 145 D CA 0.670 54.615 54.000 -0.092 0.000 0.662 145 D CB -0.606 40.053 40.800 -0.234 0.000 1.059 145 D HN 0.459 nan 8.370 nan 0.000 0.428 146 I N 0.426 120.961 120.570 -0.058 0.000 2.423 146 I HA -0.220 3.950 4.170 -0.000 0.000 0.254 146 I C 2.097 178.070 176.117 -0.239 0.000 1.151 146 I CA 1.604 62.850 61.300 -0.091 0.000 1.421 146 I CB -0.127 37.849 38.000 -0.039 0.000 1.079 146 I HN 0.027 nan 8.210 nan 0.000 0.431 147 S N 0.268 115.842 115.700 -0.209 0.000 2.420 147 S HA -0.231 4.239 4.470 -0.000 0.000 0.237 147 S C 2.039 176.523 174.600 -0.193 0.000 1.023 147 S CA 1.253 59.330 58.200 -0.205 0.000 0.991 147 S CB -0.372 62.749 63.200 -0.132 0.000 0.792 147 S HN 0.512 nan 8.310 nan 0.000 0.488 148 R N 0.317 120.698 120.500 -0.198 0.000 2.066 148 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 148 R C 2.764 178.942 176.300 -0.203 0.000 1.131 148 R CA 1.211 57.191 56.100 -0.200 0.000 0.955 148 R CB -0.799 29.205 30.300 -0.494 0.000 0.851 148 R HN 0.457 nan 8.270 nan 0.000 0.432 149 G N 1.255 109.846 108.800 -0.349 0.000 2.418 149 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 149 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 149 G C 1.450 175.998 174.900 -0.587 0.000 1.158 149 G CA 0.684 45.450 45.100 -0.557 0.000 0.771 149 G HN 0.143 nan 8.290 nan 0.000 0.545 150 I N 1.279 121.363 120.570 -0.809 0.000 2.142 150 I HA -0.087 4.083 4.170 -0.000 0.000 0.240 150 I C 3.132 179.117 176.117 -0.220 0.000 1.078 150 I CA 1.162 61.971 61.300 -0.818 0.000 1.343 150 I CB -0.598 36.923 38.000 -0.799 0.000 1.046 150 I HN 0.223 nan 8.210 nan 0.000 0.405 151 G N 1.011 109.727 108.800 -0.140 0.000 2.469 151 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 151 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 151 G C 1.658 176.590 174.900 0.053 0.000 1.150 151 G CA 0.919 46.016 45.100 -0.005 0.000 0.763 151 G HN 0.273 nan 8.290 nan 0.000 0.561 152 L N -0.468 120.788 121.223 0.055 0.000 2.056 152 L HA 0.275 4.615 4.340 -0.000 0.000 0.207 152 L C 1.478 178.474 176.870 0.211 0.000 1.078 152 L CA 0.321 55.228 54.840 0.113 0.000 0.749 152 L CB -0.712 41.421 42.059 0.124 0.000 0.901 152 L HN 0.161 nan 8.230 nan 0.000 0.433 156 T N 1.093 115.700 114.554 0.087 0.000 2.653 156 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 156 T C 1.734 176.463 174.700 0.048 0.000 1.035 156 T CA 2.449 64.573 62.100 0.040 0.000 1.154 156 T CB -0.617 68.288 68.868 0.061 0.000 0.862 156 T HN 0.703 nan 8.240 nan 0.000 0.441 157 G N 0.815 109.670 108.800 0.092 0.000 2.418 157 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.217 157 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.217 157 G C 1.829 177.044 174.900 0.525 0.000 1.158 157 G CA 0.925 46.214 45.100 0.316 0.000 0.771 157 G HN 0.608 nan 8.290 nan 0.000 0.545 158 A N 0.663 123.664 122.820 0.302 0.000 1.933 158 A HA 0.074 4.394 4.320 -0.000 0.000 0.218 158 A C 2.390 179.949 177.584 -0.042 0.000 1.175 158 A CA 1.178 53.240 52.037 0.042 0.000 0.628 158 A CB -0.324 18.582 19.000 -0.156 0.000 0.814 158 A HN 0.381 nan 8.150 nan 0.000 0.444 159 I N -0.422 120.051 120.570 -0.161 0.000 2.127 159 I HA -0.252 3.917 4.170 -0.000 0.000 0.241 159 I C 2.402 178.322 176.117 -0.329 0.000 1.075 159 I CA 1.445 62.422 61.300 -0.538 0.000 1.334 159 I CB -0.495 37.139 38.000 -0.609 0.000 1.040 159 I HN 0.169 nan 8.210 nan 0.000 0.405 160 V N 0.238 120.110 119.914 -0.070 0.000 2.231 160 V HA -0.371 3.749 4.120 -0.000 0.000 0.248 160 V C 2.276 178.369 176.094 -0.002 0.000 1.054 160 V CA 2.275 64.592 62.300 0.028 0.000 1.015 160 V CB -0.951 30.938 31.823 0.109 0.000 0.638 160 V HN 0.371 nan 8.190 nan 0.000 0.444 161 Y N 1.006 121.221 120.300 -0.142 0.000 2.081 161 Y HA -0.364 4.186 4.550 -0.000 0.000 0.280 161 Y C 2.496 178.378 175.900 -0.029 0.000 1.163 161 Y CA 2.539 60.508 58.100 -0.218 0.000 1.135 161 Y CB -0.254 38.151 38.460 -0.092 0.000 0.970 161 Y HN 0.458 nan 8.280 nan 0.000 0.498 162 D N -1.417 119.154 120.400 0.285 0.000 2.091 162 D HA -0.199 4.441 4.640 -0.000 0.000 0.199 162 D C 1.729 178.290 176.300 0.436 0.000 0.980 162 D CA 1.615 55.826 54.000 0.351 0.000 0.831 162 D CB -0.434 40.555 40.800 0.315 0.000 0.987 162 D HN 0.327 nan 8.370 nan 0.000 0.460 163 W N 0.244 121.639 121.300 0.158 0.000 2.425 163 W HA 0.071 4.731 4.660 -0.000 0.000 0.277 163 W C 1.497 178.163 176.519 0.246 0.000 1.231 163 W CA 0.033 57.491 57.345 0.188 0.000 1.248 163 W CB -0.956 28.613 29.460 0.182 0.000 1.117 163 W HN 0.153 nan 8.180 nan 0.000 0.568 164 C N -1.078 118.411 119.300 0.315 0.000 2.647 164 C HA 0.184 4.644 4.460 -0.000 0.000 0.296 164 C C 1.926 176.853 174.990 -0.104 0.000 1.403 164 C CA -1.020 58.032 59.018 0.056 0.000 1.781 164 C CB -2.220 25.429 27.740 -0.151 0.000 2.464 164 C HN 0.281 nan 8.230 nan 0.000 0.559 165 Y N 3.598 123.789 120.300 -0.182 0.000 2.165 165 Y HA -0.223 4.326 4.550 -0.000 0.000 0.286 165 Y C 2.093 177.821 175.900 -0.287 0.000 1.155 165 Y CA 2.475 60.324 58.100 -0.419 0.000 1.164 165 Y CB 0.006 38.022 38.460 -0.741 0.000 0.978 165 Y HN 0.486 nan 8.280 nan 0.000 0.513 166 D N -1.181 119.211 120.400 -0.013 0.000 2.378 166 D HA -0.129 4.511 4.640 -0.000 0.000 0.227 166 D C 1.207 177.427 176.300 -0.133 0.000 1.012 166 D CA 0.688 54.668 54.000 -0.034 0.000 0.905 166 D CB -0.366 40.515 40.800 0.136 0.000 0.895 166 D HN 0.381 nan 8.370 nan 0.000 0.532 167 Q N -0.163 119.500 119.800 -0.228 0.000 2.319 167 Q HA 0.258 4.598 4.340 -0.000 0.000 0.209 167 Q C 0.579 176.401 176.000 -0.296 0.000 0.884 167 Q CA -0.136 55.511 55.803 -0.259 0.000 0.938 167 Q CB 0.857 29.372 28.738 -0.371 0.000 1.098 167 Q HN 0.389 nan 8.270 nan 0.000 0.517 168 L N 2.037 123.006 121.223 -0.424 0.000 2.410 168 L HA 0.082 4.422 4.340 -0.000 0.000 0.273 168 L C 0.572 177.247 176.870 -0.325 0.000 1.152 168 L CA 0.190 54.765 54.840 -0.442 0.000 0.855 168 L CB 0.400 42.024 42.059 -0.724 0.000 1.129 168 L HN -0.221 nan 8.230 nan 0.000 0.463 169 K N 4.394 124.672 120.400 -0.204 0.000 2.202 169 K HA 0.138 4.458 4.320 -0.000 0.000 0.264 169 K C -1.553 174.971 176.600 -0.126 0.000 1.010 169 K CA -1.494 54.711 56.287 -0.137 0.000 0.940 169 K CB 0.664 33.116 32.500 -0.080 0.000 0.983 169 K HN 0.260 nan 8.250 nan 0.000 0.475 170 P HA -0.198 nan 4.420 nan 0.000 0.216 170 P C 0.239 177.531 177.300 -0.013 0.000 1.150 170 P CA 1.427 64.496 63.100 -0.052 0.000 0.843 170 P CB 0.243 31.927 31.700 -0.027 0.000 0.787 171 E N -0.213 119.981 120.200 -0.010 0.000 2.150 171 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 171 E C 1.848 178.467 176.600 0.033 0.000 0.985 171 E CA 0.977 57.382 56.400 0.009 0.000 0.814 171 E CB -0.793 28.906 29.700 -0.001 0.000 0.752 171 E HN 0.421 nan 8.360 nan 0.000 0.466 172 E N 1.009 121.229 120.200 0.032 0.000 2.107 172 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 172 E C 1.761 178.507 176.600 0.243 0.000 0.982 172 E CA 0.753 57.225 56.400 0.120 0.000 0.809 172 E CB -0.000 29.753 29.700 0.088 0.000 0.756 172 E HN 0.183 nan 8.360 nan 0.000 0.459 173 K N 0.301 120.760 120.400 0.099 0.000 2.009 173 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 173 K C 2.327 179.099 176.600 0.287 0.000 1.049 173 K CA 1.761 58.172 56.287 0.207 0.000 0.929 173 K CB -0.370 32.192 32.500 0.102 0.000 0.714 173 K HN 0.023 nan 8.250 nan 0.000 0.440 174 T N 1.069 115.716 114.554 0.155 0.000 2.653 174 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 174 T C 1.884 176.624 174.700 0.068 0.000 1.035 174 T CA 1.579 63.736 62.100 0.096 0.000 1.154 174 T CB -0.198 68.702 68.868 0.053 0.000 0.862 174 T HN 0.259 nan 8.240 nan 0.000 0.441 175 R N -0.405 120.136 120.500 0.069 0.000 2.081 175 R HA -0.030 4.310 4.340 -0.000 0.000 0.235 175 R C 2.276 178.526 176.300 -0.082 0.000 1.131 175 R CA 1.422 57.509 56.100 -0.022 0.000 0.960 175 R CB -0.512 29.755 30.300 -0.055 0.000 0.856 175 R HN 0.346 nan 8.270 nan 0.000 0.436 176 F N 0.352 120.256 119.950 -0.078 0.000 2.046 176 F HA -0.256 4.271 4.527 -0.000 0.000 0.297 176 F C 2.493 178.152 175.800 -0.234 0.000 1.123 176 F CA 1.430 59.310 58.000 -0.199 0.000 1.199 176 F CB -0.726 38.373 39.000 0.164 0.000 0.972 176 F HN -0.229 nan 8.300 nan 0.000 0.474 177 V N -0.069 119.974 119.914 0.216 0.000 2.278 177 V HA -0.377 3.743 4.120 -0.000 0.000 0.251 177 V C 2.425 178.436 176.094 -0.137 0.000 1.062 177 V CA 2.017 64.350 62.300 0.055 0.000 1.038 177 V CB -0.611 31.172 31.823 -0.065 0.000 0.646 177 V HN 0.194 nan 8.190 nan 0.000 0.447 178 K N 0.478 120.793 120.400 -0.142 0.000 2.032 178 K HA -0.097 4.222 4.320 -0.000 0.000 0.209 178 K C 2.208 178.714 176.600 -0.156 0.000 1.048 178 K CA 1.786 57.979 56.287 -0.157 0.000 0.927 178 K CB -1.168 31.266 32.500 -0.110 0.000 0.712 178 K HN 0.503 nan 8.250 nan 0.000 0.441 179 A N -0.408 122.279 122.820 -0.221 0.000 1.930 179 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 179 A C 2.202 179.666 177.584 -0.201 0.000 1.175 179 A CA 1.174 53.054 52.037 -0.261 0.000 0.627 179 A CB -0.762 17.973 19.000 -0.441 0.000 0.815 179 A HN 0.282 nan 8.150 nan 0.000 0.443 180 F N -0.413 119.460 119.950 -0.129 0.000 2.146 180 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 180 F C 2.432 178.109 175.800 -0.206 0.000 1.096 180 F CA 1.089 59.001 58.000 -0.146 0.000 1.275 180 F CB -0.212 38.697 39.000 -0.151 0.000 1.008 180 F HN 0.040 nan 8.300 nan 0.000 0.480 181 V N 0.352 120.218 119.914 -0.080 0.000 2.261 181 V HA -0.322 3.797 4.120 -0.000 0.000 0.246 181 V C 2.409 178.447 176.094 -0.093 0.000 1.047 181 V CA 2.100 64.271 62.300 -0.215 0.000 1.015 181 V CB -0.729 30.964 31.823 -0.216 0.000 0.642 181 V HN 0.263 nan 8.190 nan 0.000 0.446 182 R N -0.063 120.410 120.500 -0.044 0.000 2.115 182 R HA -0.234 4.105 4.340 -0.000 0.000 0.239 182 R C 2.305 178.626 176.300 0.035 0.000 1.133 182 R CA 2.254 58.356 56.100 0.004 0.000 0.935 182 R CB -0.488 29.810 30.300 -0.004 0.000 0.853 182 R HN 0.455 nan 8.270 nan 0.000 0.433 183 L N 0.237 121.490 121.223 0.050 0.000 2.083 183 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 183 L C 2.799 179.690 176.870 0.036 0.000 1.083 183 L CA 1.316 56.205 54.840 0.082 0.000 0.752 183 L CB -0.530 41.616 42.059 0.145 0.000 0.899 183 L HN 0.400 nan 8.230 nan 0.000 0.433 184 A N -0.282 122.539 122.820 0.002 0.000 1.908 184 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 184 A C 1.492 179.127 177.584 0.085 0.000 1.181 184 A CA 1.092 53.124 52.037 -0.008 0.000 0.627 184 A CB -0.342 18.526 19.000 -0.221 0.000 0.818 184 A HN 0.278 nan 8.150 nan 0.000 0.445 188 E N 0.442 120.644 120.200 0.002 0.000 2.147 188 E HA -0.252 4.098 4.350 -0.000 0.000 0.199 188 E C 1.705 178.339 176.600 0.056 0.000 1.005 188 E CA 2.237 58.647 56.400 0.016 0.000 0.810 188 E CB -0.004 29.691 29.700 -0.008 0.000 0.736 188 E HN 0.845 nan 8.360 nan 0.000 0.460 189 C N -0.476 118.870 119.300 0.077 0.000 2.472 189 C HA 0.372 4.831 4.460 -0.000 0.000 0.278 189 C C 1.378 176.418 174.990 0.083 0.000 1.447 189 C CA -0.249 58.822 59.018 0.088 0.000 1.773 189 C CB -1.448 26.359 27.740 0.112 0.000 1.793 189 C HN 0.450 nan 8.230 nan 0.000 0.544 190 G N -0.322 108.532 108.800 0.089 0.000 2.855 190 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.352 190 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.352 190 G C -1.096 173.912 174.900 0.180 0.000 1.415 190 G CA 0.088 45.251 45.100 0.106 0.000 0.871 190 G HN 1.291 nan 8.290 nan 0.000 0.543 191 Y N 1.556 121.888 120.300 0.052 0.000 2.331 191 Y HA 0.559 5.109 4.550 -0.000 0.000 0.326 191 Y C -1.756 174.184 175.900 0.068 0.000 1.020 191 Y CA -1.554 56.586 58.100 0.067 0.000 1.136 191 Y CB 1.748 40.258 38.460 0.084 0.000 1.157 191 Y HN 0.709 nan 8.280 nan 0.000 0.444 192 P HA 0.095 nan 4.420 nan 0.000 0.266 192 P C -2.771 174.416 177.300 -0.189 0.000 1.193 192 P CA -1.077 61.673 63.100 -0.584 0.000 0.770 192 P CB 0.300 31.789 31.700 -0.351 0.000 0.836 193 P HA 0.013 nan 4.420 nan 0.000 0.237 193 P C 0.772 178.084 177.300 0.020 0.000 1.788 193 P CA 0.054 63.174 63.100 0.033 0.000 1.061 193 P CB -0.418 31.332 31.700 0.084 0.000 1.967 194 V N -1.358 118.559 119.914 0.005 0.000 3.578 194 V HA 0.290 4.410 4.120 -0.000 0.000 0.290 194 V C 0.583 176.688 176.094 0.018 0.000 1.376 194 V CA 0.298 62.600 62.300 0.003 0.000 1.083 194 V CB -0.618 31.195 31.823 -0.018 0.000 0.911 194 V HN 0.020 nan 8.190 nan 0.000 0.433 195 K N 0.826 121.246 120.400 0.034 0.000 2.211 195 K HA 0.548 4.868 4.320 -0.000 0.000 0.237 195 K C -0.249 176.377 176.600 0.044 0.000 1.002 195 K CA -0.268 56.039 56.287 0.034 0.000 0.885 195 K CB 1.037 33.560 32.500 0.038 0.000 1.136 195 K HN 0.254 nan 8.250 nan 0.000 0.448 196 D N -0.197 120.221 120.400 0.030 0.000 4.160 196 D HA -0.162 4.478 4.640 -0.000 0.000 0.291 196 D C -1.108 175.191 176.300 -0.001 0.000 2.226 196 D CA 1.077 55.089 54.000 0.021 0.000 1.157 196 D CB 0.219 41.053 40.800 0.056 0.000 1.020 196 D HN 0.293 nan 8.370 nan 0.000 1.219 197 K N -0.560 119.826 120.400 -0.024 0.000 2.185 197 K HA 0.604 4.923 4.320 -0.000 0.000 0.240 197 K C 0.151 176.692 176.600 -0.099 0.000 0.983 197 K CA -0.577 55.670 56.287 -0.067 0.000 0.873 197 K CB 1.551 33.995 32.500 -0.094 0.000 1.118 197 K HN 0.307 nan 8.250 nan 0.000 0.441 198 S N 0.314 115.897 115.700 -0.195 0.000 2.523 198 S HA 0.203 4.673 4.470 -0.000 0.000 0.217 198 S C 1.526 175.847 174.600 -0.464 0.000 0.996 198 S CA -0.146 57.756 58.200 -0.496 0.000 0.921 198 S CB 0.066 63.036 63.200 -0.384 0.000 0.829 198 S HN 0.462 nan 8.310 nan 0.000 0.495 199 I N 0.375 120.842 120.570 -0.172 0.000 3.718 199 I HA 0.196 4.366 4.170 -0.000 0.000 0.297 199 I C 0.728 176.927 176.117 0.137 0.000 1.220 199 I CA 0.026 61.335 61.300 0.015 0.000 1.381 199 I CB 0.353 38.380 38.000 0.046 0.000 1.238 199 I HN 0.129 nan 8.210 nan 0.000 0.448 200 V N -1.382 118.561 119.914 0.048 0.000 3.165 200 V HA 0.975 5.095 4.120 -0.000 0.000 0.307 200 V C 0.383 176.454 176.094 -0.037 0.000 1.281 200 V CA -0.226 62.112 62.300 0.063 0.000 1.056 200 V CB 0.561 32.406 31.823 0.036 0.000 1.178 200 V HN 0.424 nan 8.190 nan 0.000 0.475 201 G N -0.571 108.145 108.800 -0.140 0.000 2.782 201 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.228 201 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.228 201 G C -0.029 174.769 174.900 -0.170 0.000 1.372 201 G CA 0.805 45.743 45.100 -0.270 0.000 0.862 201 G HN 1.467 nan 8.290 nan 0.000 0.547 202 H N 0.048 119.095 119.070 -0.039 0.000 2.489 202 H HA 0.192 4.747 4.556 -0.000 0.000 0.293 202 H C 2.785 178.150 175.328 0.063 0.000 1.066 202 H CA 1.832 57.884 56.048 0.005 0.000 1.305 202 H CB 0.048 29.801 29.762 -0.014 0.000 1.386 202 H HN 0.763 nan 8.280 nan 0.000 0.551 203 A N -0.053 122.871 122.820 0.173 0.000 2.238 203 A HA 0.048 4.368 4.320 -0.000 0.000 0.208 203 A C 1.614 179.384 177.584 0.311 0.000 1.177 203 A CA 0.545 52.710 52.037 0.214 0.000 0.804 203 A CB 0.109 19.225 19.000 0.193 0.000 0.823 203 A HN 0.210 nan 8.150 nan 0.000 0.482 204 S N -0.057 115.770 115.700 0.212 0.000 2.583 204 S HA 0.189 4.659 4.470 -0.000 0.000 0.239 204 S C 0.561 175.261 174.600 0.166 0.000 0.966 204 S CA -0.176 58.171 58.200 0.245 0.000 0.973 204 S CB 0.043 63.349 63.200 0.176 0.000 0.794 204 S HN 0.701 nan 8.310 nan 0.000 0.463 205 E N -0.402 119.867 120.200 0.114 0.000 3.846 205 E HA 0.294 4.644 4.350 -0.000 0.000 0.262 205 E C -0.493 176.064 176.600 -0.070 0.000 0.786 205 E CA -0.961 55.405 56.400 -0.057 0.000 1.620 205 E CB 0.231 29.937 29.700 0.011 0.000 1.928 205 E HN 0.259 nan 8.360 nan 0.000 0.410 211 D N 1.382 121.834 120.400 0.087 0.000 2.146 211 D HA -0.048 4.592 4.640 -0.000 0.000 0.209 211 D C 1.762 178.088 176.300 0.043 0.000 0.973 211 D CA 0.824 54.873 54.000 0.080 0.000 0.860 211 D CB -0.132 40.718 40.800 0.084 0.000 1.015 211 D HN 0.090 nan 8.370 nan 0.000 0.465 212 L N 0.879 122.126 121.223 0.040 0.000 2.042 212 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 212 L C 2.341 179.225 176.870 0.023 0.000 1.076 212 L CA 1.024 55.882 54.840 0.029 0.000 0.749 212 L CB -1.028 41.072 42.059 0.069 0.000 0.893 212 L HN 0.046 nan 8.230 nan 0.000 0.432 213 L N -1.288 119.946 121.223 0.019 0.000 2.042 213 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 213 L C 2.504 179.424 176.870 0.084 0.000 1.076 213 L CA 1.815 56.674 54.840 0.032 0.000 0.749 213 L CB -0.722 41.311 42.059 -0.044 0.000 0.893 213 L HN 0.202 nan 8.230 nan 0.000 0.432 214 S N -1.146 114.602 115.700 0.080 0.000 2.355 214 S HA -0.148 4.322 4.470 -0.000 0.000 0.222 214 S C 1.943 176.495 174.600 -0.081 0.000 1.031 214 S CA 1.428 59.661 58.200 0.055 0.000 0.993 214 S CB -0.463 62.841 63.200 0.174 0.000 0.859 214 S HN 0.349 nan 8.310 nan 0.000 0.453 215 V N 1.821 121.636 119.914 -0.164 0.000 2.343 215 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 215 V C 2.649 178.578 176.094 -0.274 0.000 1.051 215 V CA 1.929 63.974 62.300 -0.425 0.000 1.036 215 V CB -1.592 29.849 31.823 -0.636 0.000 0.654 215 V HN 0.587 nan 8.190 nan 0.000 0.451 216 G N -0.092 108.678 108.800 -0.050 0.000 2.440 216 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 216 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 216 G C 1.597 176.589 174.900 0.153 0.000 1.154 216 G CA 1.145 46.331 45.100 0.142 0.000 0.767 216 G HN 0.495 nan 8.290 nan 0.000 0.552 217 I N 1.248 121.874 120.570 0.093 0.000 2.286 217 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 217 I C 3.231 179.324 176.117 -0.040 0.000 1.115 217 I CA 0.917 62.184 61.300 -0.053 0.000 1.392 217 I CB -0.100 37.880 38.000 -0.033 0.000 1.065 217 I HN 0.256 nan 8.210 nan 0.000 0.418 218 A N 1.207 123.997 122.820 -0.051 0.000 1.873 218 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 218 A C 2.138 179.744 177.584 0.036 0.000 1.186 218 A CA 1.679 53.724 52.037 0.013 0.000 0.616 218 A CB -0.707 18.228 19.000 -0.109 0.000 0.823 218 A HN 0.595 nan 8.150 nan 0.000 0.442 219 I N -4.522 115.951 120.570 -0.162 0.000 3.875 219 I HA 0.230 4.400 4.170 -0.000 0.000 0.329 219 I C 1.806 178.005 176.117 0.136 0.000 1.295 219 I CA -0.015 61.198 61.300 -0.146 0.000 1.129 219 I CB -0.212 37.601 38.000 -0.312 0.000 1.008 219 I HN 0.236 nan 8.210 nan 0.000 0.413 220 Y N 2.776 123.082 120.300 0.009 0.000 2.151 220 Y HA -0.312 4.238 4.550 -0.000 0.000 0.284 220 Y C 1.953 177.872 175.900 0.032 0.000 1.166 220 Y CA 2.147 60.236 58.100 -0.017 0.000 1.163 220 Y CB -0.164 38.191 38.460 -0.175 0.000 0.974 220 Y HN 0.297 nan 8.280 nan 0.000 0.511 221 D N -0.381 120.089 120.400 0.117 0.000 2.264 221 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 221 D C 1.655 178.006 176.300 0.084 0.000 0.966 221 D CA 1.381 55.423 54.000 0.069 0.000 0.864 221 D CB -0.001 40.900 40.800 0.168 0.000 0.933 221 D HN 0.521 nan 8.370 nan 0.000 0.499 222 E N -1.012 119.293 120.200 0.173 0.000 2.244 222 E HA 0.144 4.494 4.350 -0.000 0.000 0.196 222 E C 0.007 176.753 176.600 0.242 0.000 0.939 222 E CA 0.095 56.627 56.400 0.220 0.000 0.884 222 E CB 0.423 30.319 29.700 0.326 0.000 0.850 222 E HN 0.068 nan 8.360 nan 0.000 0.481 223 F N 1.490 121.438 119.950 -0.003 0.000 2.872 223 F HA 0.308 4.835 4.527 -0.000 0.000 0.363 223 F C -2.273 173.497 175.800 -0.049 0.000 1.357 223 F CA -2.246 55.750 58.000 -0.007 0.000 1.174 223 F CB 1.529 40.554 39.000 0.042 0.000 1.860 223 F HN -0.120 nan 8.300 nan 0.000 0.615 224 P HA -0.152 nan 4.420 nan 0.000 0.228 224 P C 0.635 177.807 177.300 -0.213 0.000 1.151 224 P CA 0.781 63.605 63.100 -0.460 0.000 0.770 224 P CB 0.253 31.511 31.700 -0.736 0.000 0.786 228 N N 1.463 120.285 118.700 0.203 0.000 2.120 228 N HA -0.079 4.661 4.740 -0.000 0.000 0.188 228 N C 1.631 177.135 175.510 -0.011 0.000 1.024 228 N CA 2.279 55.381 53.050 0.086 0.000 0.852 228 N CB -0.241 38.295 38.487 0.081 0.000 1.003 228 N HN 0.496 nan 8.380 nan 0.000 0.424 229 L N -0.001 121.225 121.223 0.005 0.000 2.068 229 L HA 0.059 4.399 4.340 -0.000 0.000 0.204 229 L C 2.403 179.270 176.870 -0.006 0.000 1.076 229 L CA 0.944 55.775 54.840 -0.015 0.000 0.753 229 L CB -0.528 41.499 42.059 -0.052 0.000 0.910 229 L HN 0.076 nan 8.230 nan 0.000 0.439 230 A N 0.339 123.167 122.820 0.014 0.000 1.841 230 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 230 A C 2.479 180.024 177.584 -0.065 0.000 1.195 230 A CA 1.653 53.688 52.037 -0.002 0.000 0.611 230 A CB -0.843 18.175 19.000 0.030 0.000 0.835 230 A HN 0.351 nan 8.150 nan 0.000 0.443 231 A N -0.531 122.158 122.820 -0.218 0.000 2.015 231 A HA 0.190 4.510 4.320 -0.000 0.000 0.219 231 A C 2.331 179.958 177.584 0.072 0.000 1.163 231 A CA 1.748 53.677 52.037 -0.180 0.000 0.646 231 A CB -1.319 17.178 19.000 -0.838 0.000 0.806 231 A HN 0.726 nan 8.150 nan 0.000 0.448 232 G N -0.251 108.526 108.800 -0.039 0.000 2.514 232 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.217 232 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.217 232 G C 1.766 176.709 174.900 0.071 0.000 1.198 232 G CA 1.103 46.218 45.100 0.026 0.000 0.780 232 G HN 0.537 nan 8.290 nan 0.000 0.565 233 R N -0.732 119.800 120.500 0.054 0.000 2.092 233 R HA -0.035 4.305 4.340 -0.000 0.000 0.231 233 R C 2.301 178.668 176.300 0.112 0.000 1.119 233 R CA 1.204 57.352 56.100 0.080 0.000 0.970 233 R CB -0.398 29.953 30.300 0.086 0.000 0.864 233 R HN 0.384 nan 8.270 nan 0.000 0.440 234 F N 0.434 120.315 119.950 -0.116 0.000 2.075 234 F HA -0.186 4.341 4.527 -0.000 0.000 0.297 234 F C 1.555 177.243 175.800 -0.186 0.000 1.113 234 F CA 1.626 59.479 58.000 -0.246 0.000 1.218 234 F CB -0.546 38.207 39.000 -0.412 0.000 0.984 234 F HN -0.071 nan 8.300 nan 0.000 0.472 235 F N 0.589 120.437 119.950 -0.169 0.000 2.234 235 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 235 F C 2.283 177.959 175.800 -0.207 0.000 1.087 235 F CA 1.528 59.379 58.000 -0.247 0.000 1.340 235 F CB -0.410 38.554 39.000 -0.060 0.000 1.031 235 F HN -0.105 nan 8.300 nan 0.000 0.500 236 K N -0.655 119.765 120.400 0.033 0.000 2.262 236 K HA -0.014 4.306 4.320 -0.000 0.000 0.200 236 K C 1.455 178.020 176.600 -0.058 0.000 1.049 236 K CA 0.954 57.239 56.287 -0.004 0.000 0.979 236 K CB 0.167 32.675 32.500 0.013 0.000 0.773 236 K HN 0.270 nan 8.250 nan 0.000 0.474 237 E N -1.636 118.528 120.200 -0.061 0.000 2.870 237 E HA 0.052 4.402 4.350 -0.000 0.000 0.185 237 E C 1.630 178.167 176.600 -0.105 0.000 1.084 237 E CA -0.044 56.319 56.400 -0.062 0.000 1.246 237 E CB -0.016 29.689 29.700 0.008 0.000 1.382 237 E HN 0.137 nan 8.360 nan 0.000 0.492 238 H N 1.653 120.597 119.070 -0.210 0.000 2.289 238 H HA -0.121 4.435 4.556 -0.000 0.000 0.296 238 H C 2.158 177.268 175.328 -0.363 0.000 1.091 238 H CA 1.571 57.503 56.048 -0.194 0.000 1.274 238 H CB -0.221 29.500 29.762 -0.068 0.000 1.364 238 H HN 0.027 nan 8.280 nan 0.000 0.490 239 L N -0.192 120.631 121.223 -0.666 0.000 2.017 239 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 239 L C 2.199 178.835 176.870 -0.389 0.000 1.073 239 L CA 1.016 55.403 54.840 -0.755 0.000 0.745 239 L CB -0.247 41.169 42.059 -1.072 0.000 0.894 239 L HN 0.184 nan 8.230 nan 0.000 0.432 240 V N 0.030 119.774 119.914 -0.282 0.000 2.287 240 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 240 V C 2.760 178.783 176.094 -0.119 0.000 1.053 240 V CA 1.803 63.999 62.300 -0.173 0.000 1.027 240 V CB -1.044 30.688 31.823 -0.151 0.000 0.646 240 V HN 0.558 nan 8.190 nan 0.000 0.447 241 A N 0.011 122.768 122.820 -0.106 0.000 1.873 241 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 241 A C 2.357 180.022 177.584 0.135 0.000 1.193 241 A CA 2.378 54.432 52.037 0.029 0.000 0.629 241 A CB -0.591 18.429 19.000 0.033 0.000 0.826 241 A HN 0.505 nan 8.150 nan 0.000 0.447 242 R N -0.522 119.917 120.500 -0.102 0.000 2.073 242 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 242 R C 1.827 177.524 176.300 -1.005 0.000 1.134 242 R CA 1.519 57.218 56.100 -0.668 0.000 0.952 242 R CB -0.335 29.647 30.300 -0.529 0.000 0.850 242 R HN 0.513 nan 8.270 nan 0.000 0.433 243 N N -0.468 117.918 118.700 -0.523 0.000 2.443 243 N HA -0.186 4.554 4.740 -0.000 0.000 0.184 243 N C 1.045 176.507 175.510 -0.080 0.000 1.037 243 N CA 0.770 53.648 53.050 -0.287 0.000 0.896 243 N CB -0.177 38.224 38.487 -0.144 0.000 0.959 243 N HN 0.343 nan 8.380 nan 0.000 0.442 244 W N 1.374 122.538 121.300 -0.227 0.000 2.407 244 W HA -0.084 4.576 4.660 -0.000 0.000 0.305 244 W C 1.783 178.282 176.519 -0.033 0.000 1.196 244 W CA 0.992 58.271 57.345 -0.110 0.000 1.311 244 W CB -0.579 28.827 29.460 -0.091 0.000 1.135 244 W HN 0.079 nan 8.180 nan 0.000 0.514 245 F N -2.836 117.072 119.950 -0.069 0.000 2.569 245 F HA 0.102 4.629 4.527 -0.000 0.000 0.295 245 F C 1.686 177.547 175.800 0.102 0.000 1.115 245 F CA 0.167 58.030 58.000 -0.229 0.000 1.450 245 F CB -1.645 37.225 39.000 -0.217 0.000 1.107 245 F HN -0.189 nan 8.300 nan 0.000 0.563 246 Y N 2.032 122.055 120.300 -0.461 0.000 2.181 246 Y HA -0.091 4.459 4.550 -0.000 0.000 0.284 246 Y C -0.468 175.427 175.900 -0.009 0.000 1.179 246 Y CA 0.924 58.890 58.100 -0.223 0.000 1.179 246 Y CB -2.468 35.876 38.460 -0.194 0.000 0.973 246 Y HN 0.153 nan 8.280 nan 0.000 0.519 247 P HA -0.107 nan 4.420 nan 0.000 0.219 247 P C 1.462 178.553 177.300 -0.348 0.000 1.146 247 P CA 1.992 65.052 63.100 -0.066 0.000 0.808 247 P CB 0.023 31.669 31.700 -0.090 0.000 0.779 248 S N -2.509 113.077 115.700 -0.190 0.000 2.575 248 S HA 0.033 4.503 4.470 -0.000 0.000 0.215 248 S C 0.034 174.523 174.600 -0.186 0.000 0.966 248 S CA -0.159 57.891 58.200 -0.249 0.000 0.911 248 S CB -1.091 62.069 63.200 -0.067 0.000 0.780 248 S HN 0.367 nan 8.310 nan 0.000 0.514 249 H N 0.575 119.598 119.070 -0.079 0.000 2.819 249 H HA -0.120 4.436 4.556 -0.000 0.000 0.315 249 H C -0.023 175.138 175.328 -0.277 0.000 1.242 249 H CA 0.164 56.114 56.048 -0.163 0.000 1.157 249 H CB -1.291 28.379 29.762 -0.152 0.000 1.451 249 H HN 0.247 nan 8.280 nan 0.000 0.430 250 N N -0.762 117.787 118.700 -0.252 0.000 3.039 250 N HA 0.442 5.182 4.740 -0.000 0.000 0.257 250 N C -1.390 173.877 175.510 -0.404 0.000 1.497 250 N CA -0.528 52.185 53.050 -0.562 0.000 0.861 250 N CB 2.061 39.836 38.487 -1.187 0.000 1.479 250 N HN 0.097 nan 8.380 nan 0.000 0.547 251 Y N -0.530 119.452 120.300 -0.530 0.000 2.605 251 Y HA 0.277 4.827 4.550 -0.000 0.000 0.343 251 Y C 0.518 176.229 175.900 -0.314 0.000 1.036 251 Y CA -0.350 57.491 58.100 -0.431 0.000 1.065 251 Y CB 1.249 39.461 38.460 -0.413 0.000 1.288 251 Y HN 0.712 nan 8.280 nan 0.000 0.481 252 H N -2.052 116.912 119.070 -0.176 0.000 2.755 252 H HA 0.316 4.871 4.556 -0.000 0.000 0.273 252 H C 0.174 175.555 175.328 0.089 0.000 1.055 252 H CA -0.103 55.909 56.048 -0.060 0.000 1.191 252 H CB 0.438 29.731 29.762 -0.783 0.000 1.536 252 H HN 0.347 nan 8.280 nan 0.000 0.529 253 Q N 1.494 121.364 119.800 0.116 0.000 2.204 253 Q HA 0.303 4.643 4.340 -0.000 0.000 0.209 253 Q C 0.592 176.677 176.000 0.140 0.000 0.861 253 Q CA 0.505 56.431 55.803 0.205 0.000 0.971 253 Q CB 0.791 29.669 28.738 0.233 0.000 1.095 253 Q HN 0.747 nan 8.270 nan 0.000 0.486 257 Y N 2.824 123.047 120.300 -0.129 0.000 2.639 257 Y HA 0.071 4.621 4.550 -0.000 0.000 0.297 257 Y C 2.098 177.947 175.900 -0.085 0.000 1.151 257 Y CA 0.628 58.641 58.100 -0.145 0.000 1.335 257 Y CB -0.073 38.185 38.460 -0.336 0.000 0.994 257 Y HN 0.300 nan 8.280 nan 0.000 0.548 258 L N 0.442 121.680 121.223 0.025 0.000 2.081 258 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 258 L C 1.960 178.829 176.870 -0.001 0.000 1.080 258 L CA 1.724 56.512 54.840 -0.086 0.000 0.754 258 L CB -0.830 41.171 42.059 -0.096 0.000 0.893 258 L HN 0.221 nan 8.230 nan 0.000 0.433 259 N N -0.509 118.268 118.700 0.129 0.000 2.004 259 N HA -0.205 4.535 4.740 -0.000 0.000 0.196 259 N C 1.915 177.469 175.510 0.073 0.000 1.064 259 N CA 1.988 55.140 53.050 0.170 0.000 0.855 259 N CB -0.714 37.870 38.487 0.161 0.000 1.056 259 N HN 0.352 nan 8.380 nan 0.000 0.423 260 V N 2.512 122.460 119.914 0.057 0.000 2.332 260 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 260 V C 2.447 178.452 176.094 -0.148 0.000 1.055 260 V CA 1.647 63.931 62.300 -0.027 0.000 1.038 260 V CB -0.195 31.688 31.823 0.100 0.000 0.651 260 V HN 0.287 nan 8.190 nan 0.000 0.450 261 R N -0.948 119.517 120.500 -0.057 0.000 2.057 261 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 261 R C 2.078 178.327 176.300 -0.085 0.000 1.136 261 R CA 1.853 57.918 56.100 -0.059 0.000 0.952 261 R CB -1.391 28.893 30.300 -0.028 0.000 0.848 261 R HN 0.604 nan 8.270 nan 0.000 0.430 262 F N 2.118 121.810 119.950 -0.431 0.000 2.259 262 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 262 F C 2.003 177.712 175.800 -0.153 0.000 1.088 262 F CA 1.153 58.926 58.000 -0.377 0.000 1.358 262 F CB -0.525 38.185 39.000 -0.484 0.000 1.040 262 F HN -0.045 nan 8.300 nan 0.000 0.505 263 T N 0.626 115.085 114.554 -0.158 0.000 2.699 263 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 263 T C 1.883 176.529 174.700 -0.090 0.000 1.036 263 T CA 1.762 63.770 62.100 -0.154 0.000 1.147 263 T CB -0.299 68.516 68.868 -0.090 0.000 0.862 263 T HN 0.306 nan 8.240 nan 0.000 0.446 264 N N 0.724 119.318 118.700 -0.177 0.000 2.300 264 N HA -0.076 4.663 4.740 -0.000 0.000 0.179 264 N C 1.454 177.010 175.510 0.076 0.000 1.016 264 N CA 0.908 53.904 53.050 -0.091 0.000 0.876 264 N CB -0.247 38.084 38.487 -0.259 0.000 0.979 264 N HN 0.352 nan 8.380 nan 0.000 0.432 265 D N 1.298 121.748 120.400 0.084 0.000 2.116 265 D HA -0.123 4.516 4.640 -0.000 0.000 0.193 265 D C 2.066 178.309 176.300 -0.096 0.000 0.998 265 D CA 0.806 54.879 54.000 0.123 0.000 0.836 265 D CB -0.339 40.563 40.800 0.170 0.000 0.951 265 D HN 0.240 nan 8.370 nan 0.000 0.449 266 L N -0.884 120.186 121.223 -0.255 0.000 2.217 266 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 266 L C 2.178 179.014 176.870 -0.057 0.000 1.107 266 L CA 0.295 54.967 54.840 -0.280 0.000 0.783 266 L CB -0.270 41.535 42.059 -0.422 0.000 0.919 266 L HN -0.048 nan 8.230 nan 0.000 0.442 267 F N 0.366 120.291 119.950 -0.041 0.000 2.102 267 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 267 F C 2.610 178.440 175.800 0.051 0.000 1.105 267 F CA 1.491 59.516 58.000 0.041 0.000 1.239 267 F CB -0.397 38.605 39.000 0.003 0.000 0.991 267 F HN 0.024 nan 8.300 nan 0.000 0.474 268 A N -0.152 122.779 122.820 0.185 0.000 1.902 268 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 268 A C 2.068 179.708 177.584 0.093 0.000 1.181 268 A CA 1.672 53.716 52.037 0.012 0.000 0.623 268 A CB -1.152 17.720 19.000 -0.212 0.000 0.818 268 A HN 0.410 nan 8.150 nan 0.000 0.443 269 L N -1.492 119.841 121.223 0.184 0.000 1.990 269 L HA -0.171 4.169 4.340 -0.000 0.000 0.213 269 L C 2.249 178.975 176.870 -0.239 0.000 1.072 269 L CA 2.270 57.105 54.840 -0.009 0.000 0.755 269 L CB -0.727 41.119 42.059 -0.355 0.000 0.889 269 L HN 0.564 nan 8.230 nan 0.000 0.432 270 W N -0.200 120.874 121.300 -0.376 0.000 2.381 270 W HA -0.103 4.557 4.660 -0.000 0.000 0.301 270 W C 2.482 178.811 176.519 -0.317 0.000 1.205 270 W CA 1.583 58.574 57.345 -0.590 0.000 1.285 270 W CB -0.212 28.414 29.460 -1.389 0.000 1.133 270 W HN 0.127 nan 8.180 nan 0.000 0.521 271 I N -0.179 120.504 120.570 0.189 0.000 2.179 271 I HA -0.341 3.829 4.170 -0.000 0.000 0.242 271 I C 2.145 178.393 176.117 0.218 0.000 1.088 271 I CA 1.369 62.893 61.300 0.373 0.000 1.357 271 I CB -0.786 37.473 38.000 0.431 0.000 1.051 271 I HN -0.044 nan 8.210 nan 0.000 0.409 272 L N -0.045 121.250 121.223 0.119 0.000 2.109 272 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 272 L C 2.413 179.344 176.870 0.103 0.000 1.086 272 L CA 1.199 56.104 54.840 0.108 0.000 0.760 272 L CB -0.716 41.411 42.059 0.113 0.000 0.910 272 L HN 0.358 nan 8.230 nan 0.000 0.437 273 D N 0.119 120.559 120.400 0.067 0.000 2.123 273 D HA -0.153 4.486 4.640 -0.000 0.000 0.196 273 D C 1.329 177.667 176.300 0.064 0.000 0.992 273 D CA 0.913 54.947 54.000 0.055 0.000 0.833 273 D CB 0.334 41.146 40.800 0.020 0.000 0.954 273 D HN 0.025 nan 8.370 nan 0.000 0.455 277 A N 0.186 123.072 122.820 0.109 0.000 2.307 277 A HA 0.624 4.944 4.320 -0.000 0.000 0.218 277 A C 1.759 179.543 177.584 0.334 0.000 1.228 277 A CA 1.171 53.346 52.037 0.229 0.000 0.857 277 A CB -0.428 18.655 19.000 0.139 0.000 0.897 277 A HN 2.111 nan 8.150 nan 0.000 0.495 278 G N 0.359 109.278 108.800 0.197 0.000 2.645 278 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 278 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 278 G C -0.178 174.833 174.900 0.184 0.000 1.322 278 G CA -0.042 45.156 45.100 0.164 0.000 0.898 278 G HN 0.826 nan 8.290 nan 0.000 0.573 279 N N 0.562 119.369 118.700 0.177 0.000 2.415 279 N HA 0.328 5.068 4.740 -0.000 0.000 0.246 279 N C 1.631 177.258 175.510 0.194 0.000 1.078 279 N CA 0.369 53.520 53.050 0.169 0.000 0.942 279 N CB 1.146 39.747 38.487 0.189 0.000 1.140 279 N HN 1.363 nan 8.380 nan 0.000 0.501 280 V N 1.353 121.386 119.914 0.199 0.000 3.217 280 V HA 0.259 4.379 4.120 -0.000 0.000 0.264 280 V C 0.538 176.624 176.094 -0.014 0.000 1.135 280 V CA 0.631 63.027 62.300 0.160 0.000 1.142 280 V CB -1.190 30.742 31.823 0.181 0.000 0.754 280 V HN 0.257 nan 8.190 nan 0.000 0.484 281 F N 1.170 121.196 119.950 0.127 0.000 2.378 281 F HA 0.416 4.942 4.527 -0.000 0.000 0.325 281 F C 0.872 176.763 175.800 0.153 0.000 1.097 281 F CA -0.990 57.087 58.000 0.130 0.000 1.079 281 F CB 0.429 39.566 39.000 0.229 0.000 1.240 281 F HN -0.071 nan 8.300 nan 0.000 0.519 282 N N 3.105 122.035 118.700 0.384 0.000 2.411 282 N HA -0.002 4.738 4.740 -0.000 0.000 0.265 282 N C -1.961 173.752 175.510 0.338 0.000 1.266 282 N CA -0.821 52.412 53.050 0.305 0.000 0.889 282 N CB 1.101 39.747 38.487 0.265 0.000 1.069 282 N HN 0.196 nan 8.380 nan 0.000 0.476 283 P HA -0.030 nan 4.420 nan 0.000 0.226 283 P C 1.076 178.361 177.300 -0.025 0.000 1.146 283 P CA 0.639 63.842 63.100 0.172 0.000 0.773 283 P CB -0.022 31.795 31.700 0.195 0.000 0.772 284 G N 0.147 109.019 108.800 0.119 0.000 2.527 284 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 284 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 284 G C 1.523 176.338 174.900 -0.141 0.000 1.117 284 G CA 0.282 45.481 45.100 0.164 0.000 0.759 284 G HN 0.322 nan 8.290 nan 0.000 0.556 285 Q N -0.206 119.432 119.800 -0.269 0.000 2.197 285 Q HA -0.254 4.086 4.340 -0.000 0.000 0.207 285 Q C 2.427 178.097 176.000 -0.550 0.000 0.984 285 Q CA 1.770 57.257 55.803 -0.528 0.000 0.869 285 Q CB -0.197 28.394 28.738 -0.245 0.000 0.906 285 Q HN 0.732 nan 8.270 nan 0.000 0.426 286 Q N -0.667 118.505 119.800 -1.048 0.000 2.181 286 Q HA -0.174 4.166 4.340 -0.000 0.000 0.205 286 Q C 0.868 176.314 176.000 -0.923 0.000 0.980 286 Q CA 1.557 56.572 55.803 -1.314 0.000 0.862 286 Q CB -0.014 27.619 28.738 -1.842 0.000 0.905 286 Q HN 0.501 nan 8.270 nan 0.000 0.429 287 F N -0.770 118.840 119.950 -0.566 0.000 2.727 287 F HA 0.199 4.725 4.527 -0.000 0.000 0.302 287 F C 1.558 177.131 175.800 -0.379 0.000 1.097 287 F CA -0.329 57.250 58.000 -0.702 0.000 1.330 287 F CB 0.217 38.419 39.000 -1.330 0.000 1.084 287 F HN 0.018 nan 8.300 nan 0.000 0.578 288 I N -0.159 120.271 120.570 -0.234 0.000 2.127 288 I HA -0.302 3.867 4.170 -0.000 0.000 0.241 288 I C 2.197 178.193 176.117 -0.202 0.000 1.075 288 I CA 1.247 62.365 61.300 -0.305 0.000 1.334 288 I CB -0.294 37.271 38.000 -0.725 0.000 1.040 288 I HN 0.120 nan 8.210 nan 0.000 0.405 289 L N -0.263 120.908 121.223 -0.086 0.000 2.549 289 L HA -0.153 4.187 4.340 -0.000 0.000 0.229 289 L C 1.892 178.817 176.870 0.091 0.000 1.158 289 L CA 1.381 56.210 54.840 -0.017 0.000 0.842 289 L CB -0.967 41.169 42.059 0.129 0.000 0.952 289 L HN 0.183 nan 8.230 nan 0.000 0.452 290 Y N -0.863 119.429 120.300 -0.013 0.000 2.403 290 Y HA -0.245 4.305 4.550 -0.000 0.000 0.291 290 Y C 2.353 178.339 175.900 0.144 0.000 1.143 290 Y CA 1.371 59.525 58.100 0.089 0.000 1.257 290 Y CB -0.506 38.024 38.460 0.118 0.000 0.984 290 Y HN 0.363 nan 8.280 nan 0.000 0.550 291 D N -0.545 119.943 120.400 0.146 0.000 2.117 291 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 291 D C 2.276 178.615 176.300 0.065 0.000 0.982 291 D CA 1.233 55.274 54.000 0.068 0.000 0.828 291 D CB -0.085 40.685 40.800 -0.050 0.000 0.967 291 D HN 0.208 nan 8.370 nan 0.000 0.464 292 A N 0.168 122.956 122.820 -0.053 0.000 1.902 292 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 292 A C 2.338 179.973 177.584 0.085 0.000 1.181 292 A CA 1.105 53.089 52.037 -0.089 0.000 0.623 292 A CB -0.832 17.892 19.000 -0.459 0.000 0.818 292 A HN 0.381 nan 8.150 nan 0.000 0.443 293 I N -1.996 118.634 120.570 0.100 0.000 2.163 293 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 293 I C 2.319 178.569 176.117 0.221 0.000 1.085 293 I CA 1.617 62.975 61.300 0.097 0.000 1.347 293 I CB -0.416 37.538 38.000 -0.077 0.000 1.044 293 I HN 0.403 nan 8.210 nan 0.000 0.408 294 Y N 0.848 121.275 120.300 0.212 0.000 2.333 294 Y HA -0.173 4.377 4.550 -0.000 0.000 0.290 294 Y C 2.140 178.083 175.900 0.072 0.000 1.144 294 Y CA 1.308 59.549 58.100 0.235 0.000 1.228 294 Y CB -0.219 38.318 38.460 0.128 0.000 0.985 294 Y HN 0.078 nan 8.280 nan 0.000 0.542 295 K N -0.057 120.450 120.400 0.178 0.000 2.374 295 K HA 0.045 4.365 4.320 -0.000 0.000 0.196 295 K C 0.457 177.075 176.600 0.030 0.000 1.023 295 K CA -0.262 56.066 56.287 0.067 0.000 1.103 295 K CB 0.271 32.797 32.500 0.044 0.000 0.848 295 K HN -0.124 nan 8.250 nan 0.000 0.528 296 R N 2.414 122.960 120.500 0.076 0.000 2.370 296 R HA 0.053 4.393 4.340 -0.000 0.000 0.309 296 R C -0.636 175.634 176.300 -0.049 0.000 1.059 296 R CA 0.294 56.422 56.100 0.046 0.000 0.981 296 R CB 0.175 30.543 30.300 0.113 0.000 0.972 296 R HN 0.007 nan 8.270 nan 0.000 0.437 297 R N 5.967 126.373 120.500 -0.157 0.000 2.543 297 R HA 0.292 4.632 4.340 -0.000 0.000 0.268 297 R C -1.471 174.761 176.300 -0.113 0.000 1.067 297 R CA -1.629 54.283 56.100 -0.314 0.000 1.142 297 R CB 0.323 30.230 30.300 -0.655 0.000 1.110 297 R HN 0.528 nan 8.270 nan 0.000 0.549 298 P HA -0.150 nan 4.420 nan 0.000 0.225 298 P C -0.146 177.181 177.300 0.045 0.000 1.148 298 P CA 1.204 64.330 63.100 0.045 0.000 0.779 298 P CB 0.099 31.857 31.700 0.097 0.000 0.780 299 D N -1.432 118.990 120.400 0.038 0.000 2.325 299 D HA 0.131 4.771 4.640 -0.000 0.000 0.225 299 D C 1.445 177.747 176.300 0.005 0.000 1.096 299 D CA 0.251 54.277 54.000 0.044 0.000 0.844 299 D CB -0.814 40.039 40.800 0.087 0.000 0.925 299 D HN 0.229 nan 8.370 nan 0.000 0.513 300 G N -0.505 108.283 108.800 -0.021 0.000 2.199 300 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.254 300 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.254 300 G C 0.309 175.147 174.900 -0.103 0.000 0.982 300 G CA 0.120 45.181 45.100 -0.065 0.000 0.632 300 G HN 0.394 nan 8.290 nan 0.000 0.529 301 Q N -0.092 119.670 119.800 -0.064 0.000 2.185 301 Q HA 0.688 5.028 4.340 -0.000 0.000 0.225 301 Q C 0.574 176.546 176.000 -0.046 0.000 0.983 301 Q CA -0.406 55.369 55.803 -0.048 0.000 0.950 301 Q CB 1.127 29.874 28.738 0.015 0.000 1.176 301 Q HN 0.348 nan 8.270 nan 0.000 0.510 302 I N 1.334 121.905 120.570 0.002 0.000 2.562 302 I HA 0.200 4.370 4.170 -0.000 0.000 0.301 302 I C 0.129 176.267 176.117 0.035 0.000 1.003 302 I CA -1.169 60.152 61.300 0.036 0.000 1.127 302 I CB 1.220 39.299 38.000 0.132 0.000 1.304 302 I HN 0.473 nan 8.210 nan 0.000 0.446 303 L N 4.263 125.487 121.223 0.002 0.000 2.578 303 L HA 0.093 4.433 4.340 -0.000 0.000 0.279 303 L C 0.864 177.774 176.870 0.066 0.000 1.227 303 L CA 0.510 55.364 54.840 0.022 0.000 0.900 303 L CB 0.329 42.384 42.059 -0.007 0.000 1.144 303 L HN 0.804 nan 8.230 nan 0.000 0.496 304 A N 3.475 126.369 122.820 0.122 0.000 2.475 304 A HA 0.564 4.884 4.320 -0.000 0.000 0.239 304 A C 0.465 178.071 177.584 0.037 0.000 1.087 304 A CA 0.442 52.574 52.037 0.157 0.000 0.779 304 A CB -0.187 18.983 19.000 0.284 0.000 1.036 304 A HN 1.199 nan 8.150 nan 0.000 0.506 305 G N -1.075 107.719 108.800 -0.011 0.000 2.318 305 G HA2 0.654 4.613 3.960 -0.000 0.000 0.306 305 G HA3 0.654 4.613 3.960 -0.000 0.000 0.306 305 G C 0.209 174.956 174.900 -0.254 0.000 1.696 305 G CA 0.482 45.492 45.100 -0.151 0.000 0.905 305 G HN 2.599 nan 8.290 nan 0.000 0.700 306 G N 1.510 109.980 108.800 -0.550 0.000 2.601 306 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.261 306 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.261 306 G C -0.281 174.173 174.900 -0.744 0.000 1.289 306 G CA 0.252 44.832 45.100 -0.866 0.000 0.920 306 G HN 1.063 nan 8.290 nan 0.000 0.571 307 D N 1.330 121.597 120.400 -0.220 0.000 2.342 307 D HA 0.425 5.065 4.640 -0.000 0.000 0.260 307 D C 0.792 177.104 176.300 0.021 0.000 1.278 307 D CA 1.028 55.090 54.000 0.105 0.000 0.910 307 D CB 0.697 41.428 40.800 -0.114 0.000 1.079 307 D HN 1.194 nan 8.370 nan 0.000 0.496 308 V N -0.162 119.915 119.914 0.272 0.000 3.078 308 V HA 0.644 4.764 4.120 -0.000 0.000 0.311 308 V C -0.548 175.482 176.094 -0.106 0.000 1.138 308 V CA -0.973 61.351 62.300 0.041 0.000 1.007 308 V CB 3.055 34.871 31.823 -0.012 0.000 1.045 308 V HN 0.093 nan 8.190 nan 0.000 0.432 309 D N 0.102 120.351 120.400 -0.252 0.000 2.467 309 D HA 0.660 5.300 4.640 -0.000 0.000 0.245 309 D C -1.453 174.499 176.300 -0.579 0.000 1.038 309 D CA 0.081 53.801 54.000 -0.467 0.000 1.038 309 D CB 2.078 42.817 40.800 -0.103 0.000 1.278 309 D HN 0.710 nan 8.370 nan 0.000 0.564 310 Y N -0.666 119.687 120.300 0.089 0.000 2.545 310 Y HA 0.527 5.077 4.550 -0.000 0.000 0.348 310 Y C 0.140 176.071 175.900 0.052 0.000 1.002 310 Y CA -0.912 57.232 58.100 0.073 0.000 1.039 310 Y CB 2.199 40.713 38.460 0.089 0.000 1.271 310 Y HN 0.166 nan 8.280 nan 0.000 0.467 311 S N 1.007 116.825 115.700 0.198 0.000 2.535 311 S HA 0.488 4.958 4.470 -0.000 0.000 0.272 311 S C -0.580 174.073 174.600 0.088 0.000 1.149 311 S CA -0.945 57.323 58.200 0.113 0.000 0.888 311 S CB 1.259 64.497 63.200 0.064 0.000 1.110 311 S HN 0.726 nan 8.310 nan 0.000 0.463 312 R N 2.612 123.154 120.500 0.069 0.000 2.397 312 R HA 0.283 4.623 4.340 -0.000 0.000 0.241 312 R C 1.133 177.453 176.300 0.033 0.000 0.914 312 R CA -0.116 56.014 56.100 0.051 0.000 1.071 312 R CB -0.094 30.237 30.300 0.052 0.000 1.116 312 R HN 0.613 nan 8.270 nan 0.000 0.524 313 K N 0.872 121.291 120.400 0.032 0.000 2.044 313 K HA 0.040 4.360 4.320 -0.000 0.000 0.204 313 K C 0.321 176.931 176.600 0.017 0.000 1.049 313 K CA 1.121 57.423 56.287 0.025 0.000 0.945 313 K CB 0.312 32.829 32.500 0.029 0.000 0.724 313 K HN -0.055 nan 8.250 nan 0.000 0.440 314 K N 0.830 121.232 120.400 0.004 0.000 2.464 314 K HA 0.341 4.661 4.320 -0.000 0.000 0.253 314 K C -2.836 173.709 176.600 -0.092 0.000 0.933 314 K CA -2.096 54.184 56.287 -0.012 0.000 0.801 314 K CB 1.989 34.504 32.500 0.024 0.000 1.271 314 K HN -0.205 nan 8.250 nan 0.000 0.430 315 P HA 0.017 nan 4.420 nan 0.000 0.269 315 P C -0.854 176.061 177.300 -0.641 0.000 1.215 315 P CA -0.206 62.649 63.100 -0.408 0.000 0.780 315 P CB 0.534 31.911 31.700 -0.539 0.000 0.898 316 K N 2.123 122.202 120.400 -0.536 0.000 2.174 316 K HA 0.332 4.652 4.320 -0.000 0.000 0.275 316 K C -1.079 175.087 176.600 -0.724 0.000 1.015 316 K CA -0.221 55.757 56.287 -0.514 0.000 0.933 316 K CB 0.278 32.574 32.500 -0.341 0.000 1.025 316 K HN 0.378 nan 8.250 nan 0.000 0.463 317 Y N 1.922 122.029 120.300 -0.320 0.000 2.512 317 Y HA 0.274 4.824 4.550 -0.000 0.000 0.348 317 Y C -0.939 174.696 175.900 -0.442 0.000 0.990 317 Y CA -0.920 57.023 58.100 -0.262 0.000 1.033 317 Y CB 1.602 40.001 38.460 -0.102 0.000 1.259 317 Y HN 0.457 nan 8.280 nan 0.000 0.461 318 Y N 0.917 121.364 120.300 0.245 0.000 2.723 318 Y HA 0.262 4.811 4.550 -0.000 0.000 0.374 318 Y C 0.593 176.618 175.900 0.208 0.000 1.062 318 Y CA -0.824 57.388 58.100 0.186 0.000 1.321 318 Y CB 0.096 38.646 38.460 0.150 0.000 1.405 318 Y HN 0.563 nan 8.280 nan 0.000 0.583 322 A N 0.490 123.415 122.820 0.175 0.000 1.933 322 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 322 A C 2.098 179.728 177.584 0.076 0.000 1.175 322 A CA 1.891 54.042 52.037 0.190 0.000 0.628 322 A CB -0.740 18.437 19.000 0.295 0.000 0.814 322 A HN 0.209 nan 8.150 nan 0.000 0.444 323 L N -0.313 120.866 121.223 -0.074 0.000 2.005 323 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 323 L C 2.301 179.060 176.870 -0.185 0.000 1.072 323 L CA 1.759 56.351 54.840 -0.412 0.000 0.744 323 L CB -0.424 41.201 42.059 -0.724 0.000 0.895 323 L HN 0.396 nan 8.230 nan 0.000 0.433 324 L N -0.816 120.341 121.223 -0.109 0.000 2.072 324 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 324 L C 2.613 179.647 176.870 0.274 0.000 1.079 324 L CA 1.046 55.910 54.840 0.040 0.000 0.752 324 L CB -0.904 41.087 42.059 -0.114 0.000 0.906 324 L HN 0.350 nan 8.230 nan 0.000 0.436 325 A N 0.235 123.120 122.820 0.109 0.000 1.898 325 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 325 A C 2.400 180.151 177.584 0.278 0.000 1.183 325 A CA 1.296 53.457 52.037 0.207 0.000 0.622 325 A CB -1.125 17.959 19.000 0.140 0.000 0.824 325 A HN 0.392 nan 8.150 nan 0.000 0.444 326 G N -0.573 108.336 108.800 0.182 0.000 2.446 326 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 326 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 326 G C 1.826 176.818 174.900 0.153 0.000 1.168 326 G CA 1.364 46.560 45.100 0.160 0.000 0.771 326 G HN 0.467 nan 8.290 nan 0.000 0.551 327 S N -0.794 115.001 115.700 0.159 0.000 2.406 327 S HA -0.038 4.431 4.470 -0.000 0.000 0.228 327 S C 1.900 176.645 174.600 0.242 0.000 1.020 327 S CA 0.829 59.148 58.200 0.198 0.000 0.965 327 S CB -0.300 63.017 63.200 0.196 0.000 0.798 327 S HN 0.516 nan 8.310 nan 0.000 0.488 328 Y N 0.450 120.807 120.300 0.097 0.000 2.153 328 Y HA -0.095 4.455 4.550 -0.000 0.000 0.289 328 Y C 1.498 177.124 175.900 -0.457 0.000 1.127 328 Y CA 1.455 59.289 58.100 -0.444 0.000 1.131 328 Y CB -0.119 37.768 38.460 -0.954 0.000 0.995 328 Y HN 0.232 nan 8.280 nan 0.000 0.505 329 Y N 0.597 120.958 120.300 0.101 0.000 2.466 329 Y HA 0.137 4.687 4.550 -0.000 0.000 0.272 329 Y C 0.280 176.170 175.900 -0.017 0.000 1.169 329 Y CA -0.160 57.955 58.100 0.025 0.000 1.285 329 Y CB 0.040 38.488 38.460 -0.021 0.000 1.078 329 Y HN -0.117 nan 8.280 nan 0.000 0.523 330 K N 1.411 121.870 120.400 0.099 0.000 3.419 330 K HA -0.238 4.082 4.320 -0.000 0.000 0.272 330 K C -1.021 175.638 176.600 0.098 0.000 0.973 330 K CA 0.726 57.053 56.287 0.068 0.000 0.749 330 K CB -1.499 31.013 32.500 0.021 0.000 1.403 330 K HN 0.418 nan 8.250 nan 0.000 0.456 331 D N 1.001 121.479 120.400 0.130 0.000 2.381 331 D HA 0.170 4.810 4.640 -0.000 0.000 0.235 331 D C 0.685 177.051 176.300 0.110 0.000 1.068 331 D CA -0.320 53.768 54.000 0.147 0.000 0.832 331 D CB 0.760 41.671 40.800 0.185 0.000 1.101 331 D HN 0.188 nan 8.370 nan 0.000 0.515 332 E N 2.462 122.679 120.200 0.027 0.000 2.285 332 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 332 E C 0.908 177.444 176.600 -0.106 0.000 0.997 332 E CA 0.468 56.830 56.400 -0.063 0.000 0.845 332 E CB 0.304 29.904 29.700 -0.166 0.000 0.782 332 E HN 0.623 nan 8.360 nan 0.000 0.491 333 Y N 0.748 121.046 120.300 -0.003 0.000 2.263 333 Y HA -0.115 4.434 4.550 -0.000 0.000 0.292 333 Y C 2.173 178.040 175.900 -0.054 0.000 1.130 333 Y CA 0.694 58.718 58.100 -0.127 0.000 1.179 333 Y CB 0.033 38.275 38.460 -0.362 0.000 0.998 333 Y HN -0.010 nan 8.280 nan 0.000 0.532 334 L N -0.688 120.621 121.223 0.144 0.000 2.179 334 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 334 L C 1.983 178.973 176.870 0.200 0.000 1.096 334 L CA 1.115 56.046 54.840 0.152 0.000 0.779 334 L CB -0.495 41.660 42.059 0.159 0.000 0.922 334 L HN 0.209 nan 8.230 nan 0.000 0.443 335 N N -0.082 118.729 118.700 0.185 0.000 2.244 335 N HA -0.247 4.493 4.740 -0.000 0.000 0.183 335 N C 1.872 177.516 175.510 0.224 0.000 1.016 335 N CA 1.006 54.184 53.050 0.212 0.000 0.866 335 N CB -0.188 38.391 38.487 0.153 0.000 0.980 335 N HN 0.266 nan 8.380 nan 0.000 0.430 336 Y N 1.046 121.383 120.300 0.061 0.000 2.128 336 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 336 Y C 2.332 178.267 175.900 0.058 0.000 1.154 336 Y CA 2.014 60.131 58.100 0.029 0.000 1.149 336 Y CB -0.354 38.096 38.460 -0.015 0.000 0.976 336 Y HN 0.107 nan 8.280 nan 0.000 0.505 337 E N -0.033 120.331 120.200 0.273 0.000 2.085 337 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 337 E C 1.974 178.670 176.600 0.161 0.000 0.994 337 E CA 1.710 58.247 56.400 0.228 0.000 0.801 337 E CB -0.844 29.011 29.700 0.258 0.000 0.743 337 E HN 0.543 nan 8.360 nan 0.000 0.453 338 F N 0.379 120.352 119.950 0.038 0.000 2.146 338 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 338 F C 1.689 177.429 175.800 -0.100 0.000 1.096 338 F CA 1.233 59.226 58.000 -0.010 0.000 1.275 338 F CB -0.212 38.794 39.000 0.010 0.000 1.008 338 F HN 0.029 nan 8.300 nan 0.000 0.480 339 L N 0.088 121.092 121.223 -0.364 0.000 2.465 339 L HA -0.117 4.223 4.340 -0.000 0.000 0.224 339 L C 2.153 178.731 176.870 -0.486 0.000 1.145 339 L CA 0.717 55.253 54.840 -0.507 0.000 0.834 339 L CB -0.610 41.278 42.059 -0.286 0.000 0.944 339 L HN 0.095 nan 8.230 nan 0.000 0.451 340 K N -0.014 120.125 120.400 -0.435 0.000 2.103 340 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 340 K C 0.226 176.507 176.600 -0.531 0.000 1.048 340 K CA 1.213 57.287 56.287 -0.356 0.000 0.930 340 K CB 0.004 32.444 32.500 -0.100 0.000 0.716 340 K HN 0.080 nan 8.250 nan 0.000 0.444 341 D N -0.935 119.029 120.400 -0.727 0.000 2.527 341 D HA 0.092 4.732 4.640 -0.000 0.000 0.242 341 D C -2.647 173.249 176.300 -0.673 0.000 1.285 341 D CA -1.555 51.966 54.000 -0.798 0.000 0.886 341 D CB 1.018 40.958 40.800 -1.434 0.000 1.402 341 D HN -0.161 nan 8.370 nan 0.000 0.528 342 P HA 0.176 nan 4.420 nan 0.000 0.237 342 P C -0.876 176.231 177.300 -0.321 0.000 1.723 342 P CA -0.226 62.319 63.100 -0.925 0.000 0.882 342 P CB -0.203 31.015 31.700 -0.803 0.000 1.810 343 N N 0.388 118.965 118.700 -0.206 0.000 2.626 343 N HA 0.185 4.925 4.740 -0.000 0.000 0.249 343 N C -0.621 174.901 175.510 0.019 0.000 1.021 343 N CA -0.489 52.518 53.050 -0.071 0.000 0.886 343 N CB 2.173 40.596 38.487 -0.106 0.000 1.149 343 N HN -0.070 nan 8.380 nan 0.000 0.517 344 V N 1.668 121.626 119.914 0.073 0.000 2.607 344 V HA 0.073 4.192 4.120 -0.000 0.000 0.289 344 V C 0.822 176.932 176.094 0.027 0.000 1.053 344 V CA -0.502 61.846 62.300 0.080 0.000 0.996 344 V CB 1.401 33.278 31.823 0.091 0.000 0.995 344 V HN 0.446 nan 8.190 nan 0.000 0.476 345 E N 5.342 125.555 120.200 0.023 0.000 2.437 345 E HA 0.015 4.365 4.350 -0.000 0.000 0.263 345 E C -1.589 174.979 176.600 -0.054 0.000 1.030 345 E CA -1.245 55.169 56.400 0.023 0.000 0.934 345 E CB 0.663 30.419 29.700 0.094 0.000 0.943 345 E HN 0.414 nan 8.360 nan 0.000 0.444 346 P HA -0.195 nan 4.420 nan 0.000 0.216 346 P C 1.003 178.279 177.300 -0.040 0.000 1.153 346 P CA 1.819 64.906 63.100 -0.023 0.000 0.858 346 P CB -0.066 31.631 31.700 -0.004 0.000 0.789 347 H N -2.952 116.064 119.070 -0.091 0.000 2.521 347 H HA 0.029 4.585 4.556 -0.000 0.000 0.286 347 H C 1.052 176.359 175.328 -0.036 0.000 1.034 347 H CA 0.924 56.899 56.048 -0.121 0.000 1.278 347 H CB -1.212 28.389 29.762 -0.270 0.000 1.386 347 H HN 0.073 nan 8.280 nan 0.000 0.567 348 C N 0.805 119.820 119.300 -0.476 0.000 2.799 348 C HA 0.159 4.619 4.460 -0.000 0.000 0.267 348 C C 2.176 177.155 174.990 -0.018 0.000 1.257 348 C CA -0.426 58.518 59.018 -0.124 0.000 1.702 348 C CB -0.153 27.462 27.740 -0.209 0.000 1.934 348 C HN 0.511 nan 8.230 nan 0.000 0.594 349 K N 1.351 121.696 120.400 -0.091 0.000 2.089 349 K HA -0.183 4.137 4.320 -0.000 0.000 0.210 349 K C 1.793 178.328 176.600 -0.108 0.000 1.048 349 K CA 1.184 57.425 56.287 -0.078 0.000 0.926 349 K CB -0.692 31.752 32.500 -0.093 0.000 0.714 349 K HN 0.421 nan 8.250 nan 0.000 0.448 350 L N 0.413 121.493 121.223 -0.237 0.000 2.083 350 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 350 L C 2.063 178.625 176.870 -0.513 0.000 1.083 350 L CA 1.512 56.139 54.840 -0.355 0.000 0.752 350 L CB -0.443 41.284 42.059 -0.554 0.000 0.899 350 L HN 0.027 nan 8.230 nan 0.000 0.433 351 F N -0.334 119.369 119.950 -0.412 0.000 2.206 351 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 351 F C 2.548 177.985 175.800 -0.605 0.000 1.090 351 F CA 1.332 58.833 58.000 -0.831 0.000 1.323 351 F CB -0.486 37.996 39.000 -0.863 0.000 1.028 351 F HN 0.196 nan 8.300 nan 0.000 0.492 352 E N 0.346 120.449 120.200 -0.162 0.000 2.085 352 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 352 E C 2.154 178.708 176.600 -0.078 0.000 0.994 352 E CA 1.405 57.733 56.400 -0.120 0.000 0.801 352 E CB -0.333 29.351 29.700 -0.027 0.000 0.743 352 E HN 0.388 nan 8.360 nan 0.000 0.453 353 F N 1.122 120.975 119.950 -0.161 0.000 2.134 353 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 353 F C 1.877 177.607 175.800 -0.117 0.000 1.097 353 F CA 1.371 59.317 58.000 -0.090 0.000 1.264 353 F CB -0.119 38.863 39.000 -0.030 0.000 1.001 353 F HN 0.011 nan 8.300 nan 0.000 0.479 354 L N -1.612 119.475 121.223 -0.227 0.000 2.109 354 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 354 L C 1.809 178.611 176.870 -0.113 0.000 1.086 354 L CA 0.859 55.531 54.840 -0.279 0.000 0.760 354 L CB -0.532 41.240 42.059 -0.478 0.000 0.910 354 L HN 0.286 nan 8.230 nan 0.000 0.437 355 W N -0.874 120.230 121.300 -0.327 0.000 2.901 355 W HA 0.244 4.904 4.660 -0.000 0.000 0.281 355 W C 1.279 177.539 176.519 -0.431 0.000 1.167 355 W CA -0.818 56.189 57.345 -0.564 0.000 1.506 355 W CB -0.332 28.358 29.460 -1.283 0.000 0.985 355 W HN -0.064 nan 8.180 nan 0.000 0.590 356 R N 2.758 123.174 120.500 -0.140 0.000 2.585 356 R HA -0.042 4.298 4.340 -0.000 0.000 0.275 356 R C -0.264 176.002 176.300 -0.056 0.000 1.018 356 R CA 0.586 56.604 56.100 -0.137 0.000 1.072 356 R CB 0.240 30.456 30.300 -0.140 0.000 0.953 356 R HN -0.266 nan 8.270 nan 0.000 0.419 357 D N 3.035 123.424 120.400 -0.018 0.000 2.396 357 D HA 0.029 4.669 4.640 -0.000 0.000 0.225 357 D C 0.648 176.954 176.300 0.010 0.000 1.121 357 D CA -0.236 53.769 54.000 0.008 0.000 0.853 357 D CB 1.480 42.301 40.800 0.036 0.000 1.043 357 D HN 0.667 nan 8.370 nan 0.000 0.500 358 T N 0.798 115.354 114.554 0.004 0.000 3.081 358 T HA -0.028 4.322 4.350 -0.000 0.000 0.250 358 T C 1.206 175.918 174.700 0.019 0.000 1.100 358 T CA 0.250 62.363 62.100 0.022 0.000 1.038 358 T CB 0.275 69.150 68.868 0.011 0.000 0.962 358 T HN 0.182 nan 8.240 nan 0.000 0.516 359 Q N 0.427 120.232 119.800 0.009 0.000 2.302 359 Q HA 0.312 4.652 4.340 -0.000 0.000 0.202 359 Q C 0.855 176.862 176.000 0.013 0.000 0.936 359 Q CA -0.039 55.768 55.803 0.006 0.000 0.886 359 Q CB -0.533 28.203 28.738 -0.003 0.000 0.986 359 Q HN 0.467 nan 8.270 nan 0.000 0.487 360 L N 1.721 122.957 121.223 0.020 0.000 2.559 360 L HA 0.078 4.418 4.340 -0.000 0.000 0.282 360 L C 0.723 177.611 176.870 0.029 0.000 1.232 360 L CA 0.554 55.410 54.840 0.026 0.000 0.885 360 L CB 0.245 42.327 42.059 0.039 0.000 1.131 360 L HN 0.131 nan 8.230 nan 0.000 0.498 361 G N 3.014 111.824 108.800 0.015 0.000 2.588 361 G HA2 0.520 4.480 3.960 -0.000 0.000 0.278 361 G HA3 0.520 4.480 3.960 -0.000 0.000 0.278 361 G C -0.898 174.013 174.900 0.018 0.000 1.307 361 G CA 0.094 45.200 45.100 0.009 0.000 1.016 361 G HN 1.019 nan 8.290 nan 0.000 0.503 362 S N -1.223 114.489 115.700 0.021 0.000 2.548 362 S HA 0.694 5.163 4.470 -0.000 0.000 0.276 362 S C -0.804 173.799 174.600 0.004 0.000 1.129 362 S CA -1.010 57.229 58.200 0.065 0.000 0.931 362 S CB 2.248 65.553 63.200 0.174 0.000 1.068 362 S HN 0.672 nan 8.310 nan 0.000 0.480 363 R N 1.800 122.201 120.500 -0.165 0.000 2.534 363 R HA 0.443 4.783 4.340 -0.000 0.000 0.301 363 R C -0.304 175.606 176.300 -0.650 0.000 0.961 363 R CA -0.967 54.889 56.100 -0.408 0.000 0.871 363 R CB 2.082 31.899 30.300 -0.805 0.000 1.170 363 R HN 0.837 nan 8.270 nan 0.000 0.446 364 K N 2.988 122.912 120.400 -0.793 0.000 2.219 364 K HA 0.184 4.504 4.320 -0.000 0.000 0.258 364 K C -1.836 174.434 176.600 -0.550 0.000 1.008 364 K CA -1.243 54.409 56.287 -1.059 0.000 0.928 364 K CB 0.701 32.796 32.500 -0.676 0.000 0.983 364 K HN 0.220 nan 8.250 nan 0.000 0.484 365 P HA -0.064 nan 4.420 nan 0.000 0.242 365 P C -0.270 176.304 177.300 -1.211 0.000 1.197 365 P CA 0.652 63.190 63.100 -0.938 0.000 0.765 365 P CB 0.112 30.995 31.700 -1.360 0.000 0.936 366 D N 1.291 121.250 120.400 -0.735 0.000 2.190 366 D HA -0.177 4.462 4.640 -0.000 0.000 0.200 366 D C 1.355 177.505 176.300 -0.250 0.000 0.992 366 D CA 1.532 55.245 54.000 -0.478 0.000 0.854 366 D CB -0.577 40.138 40.800 -0.142 0.000 0.936 366 D HN 0.382 nan 8.370 nan 0.000 0.462 367 D N -0.141 120.143 120.400 -0.195 0.000 2.340 367 D HA -0.052 4.588 4.640 -0.000 0.000 0.220 367 D C 0.518 176.816 176.300 -0.002 0.000 1.039 367 D CA -0.136 53.847 54.000 -0.028 0.000 0.866 367 D CB -0.418 40.397 40.800 0.025 0.000 0.913 367 D HN 0.196 nan 8.370 nan 0.000 0.523 368 L N 0.853 121.986 121.223 -0.151 0.000 2.439 368 L HA 0.240 4.579 4.340 -0.000 0.000 0.269 368 L C -1.991 175.055 176.870 0.293 0.000 1.179 368 L CA -1.769 53.063 54.840 -0.013 0.000 0.828 368 L CB 0.198 42.086 42.059 -0.285 0.000 1.106 368 L HN -0.239 nan 8.230 nan 0.000 0.467 369 P HA -0.003 nan 4.420 nan 0.000 0.266 369 P C 0.552 178.020 177.300 0.279 0.000 1.195 369 P CA 0.011 63.246 63.100 0.225 0.000 0.768 369 P CB 0.485 32.279 31.700 0.157 0.000 0.838 370 L N 0.023 121.294 121.223 0.080 0.000 2.465 370 L HA -0.001 4.339 4.340 -0.000 0.000 0.224 370 L C 0.627 177.424 176.870 -0.121 0.000 1.145 370 L CA 1.148 55.952 54.840 -0.060 0.000 0.834 370 L CB -0.302 41.676 42.059 -0.134 0.000 0.944 370 L HN 0.319 nan 8.230 nan 0.000 0.451 371 S N -0.569 114.955 115.700 -0.293 0.000 2.526 371 S HA 0.600 5.069 4.470 -0.000 0.000 0.293 371 S C -0.604 173.672 174.600 -0.541 0.000 1.092 371 S CA -0.658 57.227 58.200 -0.526 0.000 0.980 371 S CB 2.849 65.500 63.200 -0.914 0.000 1.048 371 S HN 0.135 nan 8.310 nan 0.000 0.483 372 R N 1.478 121.723 120.500 -0.424 0.000 2.575 372 R HA 0.447 4.787 4.340 -0.000 0.000 0.293 372 R C -2.075 174.212 176.300 -0.023 0.000 0.983 372 R CA -0.628 55.290 56.100 -0.304 0.000 0.887 372 R CB 1.252 31.076 30.300 -0.792 0.000 1.184 372 R HN 0.704 nan 8.270 nan 0.000 0.445 373 Y N 1.885 122.203 120.300 0.030 0.000 2.360 373 Y HA 0.443 4.992 4.550 -0.000 0.000 0.337 373 Y C -1.149 174.736 175.900 -0.025 0.000 1.039 373 Y CA -0.459 57.671 58.100 0.049 0.000 1.109 373 Y CB 1.994 40.525 38.460 0.119 0.000 1.201 373 Y HN 0.472 nan 8.280 nan 0.000 0.458 374 S N 4.882 120.146 115.700 -0.727 0.000 2.520 374 S HA 0.531 5.001 4.470 -0.000 0.000 0.324 374 S C 0.374 174.356 174.600 -1.032 0.000 1.069 374 S CA -0.487 57.290 58.200 -0.706 0.000 1.121 374 S CB 0.849 63.765 63.200 -0.473 0.000 0.971 374 S HN 1.072 nan 8.310 nan 0.000 0.463 375 G N 1.926 110.193 108.800 -0.888 0.000 2.489 375 G HA2 0.340 4.300 3.960 -0.000 0.000 0.271 375 G HA3 0.340 4.300 3.960 -0.000 0.000 0.271 375 G C -0.043 174.687 174.900 -0.284 0.000 1.427 375 G CA -0.666 44.111 45.100 -0.539 0.000 1.057 375 G HN 0.620 nan 8.290 nan 0.000 0.532 376 S N 1.504 117.092 115.700 -0.187 0.000 2.573 376 S HA 0.110 4.580 4.470 -0.000 0.000 0.297 376 S C -1.474 172.821 174.600 -0.509 0.000 1.280 376 S CA -0.047 57.992 58.200 -0.267 0.000 1.061 376 S CB 1.075 64.174 63.200 -0.168 0.000 0.812 376 S HN 0.495 nan 8.310 nan 0.000 0.500 377 P HA 0.209 nan 4.420 nan 0.000 0.254 377 P C 0.002 176.928 177.300 -0.622 0.000 1.494 377 P CA 0.118 62.858 63.100 -0.600 0.000 0.961 377 P CB -0.076 31.192 31.700 -0.720 0.000 1.493 378 F N 0.452 120.108 119.950 -0.489 0.000 2.204 378 F HA 0.396 4.923 4.527 -0.000 0.000 0.276 378 F C 1.748 177.197 175.800 -0.584 0.000 1.085 378 F CA 0.990 58.419 58.000 -0.952 0.000 1.160 378 F CB -1.164 36.764 39.000 -1.786 0.000 1.091 378 F HN 0.019 nan 8.300 nan 0.000 0.522 379 G N 0.396 109.058 108.800 -0.230 0.000 2.401 379 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.283 379 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.283 379 G C -0.742 174.374 174.900 0.361 0.000 1.117 379 G CA -0.403 44.763 45.100 0.110 0.000 1.051 379 G HN 0.155 nan 8.290 nan 0.000 0.510 383 A N 7.402 130.010 122.820 -0.353 0.000 2.374 383 A HA 0.974 5.293 4.320 -0.000 0.000 0.305 383 A C -0.828 176.413 177.584 -0.572 0.000 1.053 383 A CA -0.646 51.077 52.037 -0.523 0.000 0.726 383 A CB 1.357 19.877 19.000 -0.801 0.000 1.229 383 A HN 0.691 nan 8.150 nan 0.000 0.431 384 R N 0.450 120.716 120.500 -0.391 0.000 2.919 384 R HA 0.683 5.023 4.340 -0.000 0.000 0.260 384 R C 0.489 176.693 176.300 -0.160 0.000 1.067 384 R CA -0.112 55.795 56.100 -0.322 0.000 1.003 384 R CB 1.542 31.524 30.300 -0.531 0.000 1.192 384 R HN 0.732 nan 8.270 nan 0.000 0.488 385 T N -3.028 111.476 114.554 -0.083 0.000 3.044 385 T HA 0.371 4.721 4.350 -0.000 0.000 0.260 385 T C 0.629 175.287 174.700 -0.070 0.000 1.019 385 T CA 0.095 62.192 62.100 -0.006 0.000 0.921 385 T CB 0.727 69.640 68.868 0.076 0.000 1.053 385 T HN 0.743 nan 8.240 nan 0.000 0.533 386 G N -0.336 108.339 108.800 -0.209 0.000 2.340 386 G HA2 0.417 4.377 3.960 -0.000 0.000 0.299 386 G HA3 0.417 4.377 3.960 -0.000 0.000 0.299 386 G C -1.653 172.989 174.900 -0.429 0.000 1.291 386 G CA -0.900 44.083 45.100 -0.195 0.000 0.841 386 G HN 0.157 nan 8.290 nan 0.000 0.500 387 W N 0.175 121.473 121.300 -0.004 0.000 2.702 387 W HA 0.519 5.179 4.660 -0.000 0.000 0.369 387 W C 1.063 177.580 176.519 -0.004 0.000 0.987 387 W CA 0.255 57.578 57.345 -0.037 0.000 1.702 387 W CB 1.481 30.895 29.460 -0.077 0.000 1.138 387 W HN 0.817 nan 8.180 nan 0.000 0.552 388 G N -0.006 108.898 108.800 0.174 0.000 2.938 388 G HA2 0.322 4.282 3.960 -0.000 0.000 0.258 388 G HA3 0.322 4.282 3.960 -0.000 0.000 0.258 388 G C -1.888 173.081 174.900 0.116 0.000 1.356 388 G CA -0.861 44.323 45.100 0.141 0.000 1.052 388 G HN -0.358 nan 8.290 nan 0.000 0.550 389 P HA -0.053 nan 4.420 nan 0.000 0.218 389 P C 1.046 178.398 177.300 0.087 0.000 1.146 389 P CA 1.057 64.209 63.100 0.088 0.000 0.813 389 P CB 0.320 32.059 31.700 0.064 0.000 0.778 390 E N -0.771 119.500 120.200 0.118 0.000 2.444 390 E HA 0.080 4.430 4.350 -0.000 0.000 0.191 390 E C 0.271 177.051 176.600 0.300 0.000 1.041 390 E CA 0.136 56.647 56.400 0.184 0.000 0.883 390 E CB -0.014 29.790 29.700 0.174 0.000 1.024 390 E HN 0.314 nan 8.360 nan 0.000 0.470 391 S N 0.232 116.065 115.700 0.222 0.000 2.565 391 S HA 0.343 4.813 4.470 -0.000 0.000 0.274 391 S C 0.460 175.267 174.600 0.345 0.000 1.309 391 S CA -0.783 57.534 58.200 0.194 0.000 1.043 391 S CB 1.900 65.114 63.200 0.023 0.000 0.939 391 S HN -0.111 nan 8.310 nan 0.000 0.504 392 V N 3.446 123.528 119.914 0.280 0.000 2.583 392 V HA 0.385 4.505 4.120 -0.000 0.000 0.287 392 V C 0.031 176.218 176.094 0.155 0.000 1.051 392 V CA -0.488 61.991 62.300 0.298 0.000 1.010 392 V CB 0.431 32.383 31.823 0.215 0.000 0.988 392 V HN 0.840 nan 8.190 nan 0.000 0.478 393 I N 3.898 124.581 120.570 0.188 0.000 2.447 393 I HA 0.750 4.920 4.170 -0.000 0.000 0.287 393 I C -0.010 176.125 176.117 0.029 0.000 1.023 393 I CA -0.388 60.927 61.300 0.025 0.000 1.083 393 I CB 1.760 39.765 38.000 0.008 0.000 1.245 393 I HN 0.682 nan 8.210 nan 0.000 0.434 394 A N 5.506 128.232 122.820 -0.157 0.000 2.414 394 A HA 0.790 5.110 4.320 -0.000 0.000 0.306 394 A C -0.875 176.610 177.584 -0.165 0.000 1.054 394 A CA -0.479 51.489 52.037 -0.115 0.000 0.724 394 A CB 2.098 21.012 19.000 -0.143 0.000 1.267 394 A HN 0.743 nan 8.150 nan 0.000 0.418 398 V N 0.685 120.873 119.914 0.456 0.000 2.391 398 V HA -0.022 4.098 4.120 -0.000 0.000 0.237 398 V C -0.080 176.232 176.094 0.363 0.000 1.046 398 V CA 0.580 63.115 62.300 0.392 0.000 1.053 398 V CB -0.610 31.409 31.823 0.325 0.000 0.704 398 V HN 0.946 nan 8.190 nan 0.000 0.475 399 N N 0.559 119.546 118.700 0.480 0.000 2.400 399 N HA -0.141 4.599 4.740 -0.000 0.000 0.278 399 N C 0.362 175.978 175.510 0.177 0.000 1.405 399 N CA 0.633 53.927 53.050 0.406 0.000 0.709 399 N CB -0.921 37.778 38.487 0.354 0.000 0.896 399 N HN 0.595 nan 8.380 nan 0.000 0.495 400 E N -0.182 120.074 120.200 0.093 0.000 2.158 400 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 400 E C -0.238 176.222 176.600 -0.233 0.000 0.982 400 E CA 1.085 57.462 56.400 -0.038 0.000 0.823 400 E CB 0.237 29.943 29.700 0.011 0.000 0.766 400 E HN 0.559 nan 8.360 nan 0.000 0.468 401 Y N -0.945 119.351 120.300 -0.006 0.000 2.545 401 Y HA 0.282 4.832 4.550 -0.000 0.000 0.348 401 Y C -0.260 175.640 175.900 -0.000 0.000 1.002 401 Y CA -0.807 57.264 58.100 -0.048 0.000 1.039 401 Y CB 2.269 40.622 38.460 -0.178 0.000 1.271 401 Y HN -0.303 nan 8.280 nan 0.000 0.467 402 S N 1.264 117.063 115.700 0.165 0.000 2.451 402 S HA 0.429 4.899 4.470 -0.000 0.000 0.301 402 S C -0.210 174.419 174.600 0.048 0.000 1.116 402 S CA -0.436 57.888 58.200 0.207 0.000 1.093 402 S CB 0.248 63.592 63.200 0.240 0.000 1.017 402 S HN 0.577 nan 8.310 nan 0.000 0.482 403 F N 3.956 123.932 119.950 0.044 0.000 2.714 403 F HA 0.327 4.854 4.527 -0.000 0.000 0.294 403 F C 0.898 176.665 175.800 -0.055 0.000 1.120 403 F CA -0.069 57.839 58.000 -0.154 0.000 1.398 403 F CB -0.282 38.459 39.000 -0.431 0.000 1.120 403 F HN 0.492 nan 8.300 nan 0.000 0.589 404 L N -0.687 120.692 121.223 0.261 0.000 7.544 404 L HA -0.415 3.925 4.340 -0.000 0.000 0.055 404 L C 1.284 178.234 176.870 0.132 0.000 1.403 404 L CA 1.277 56.250 54.840 0.221 0.000 1.513 404 L CB -1.652 40.529 42.059 0.202 0.000 2.856 404 L HN 0.389 nan 8.230 nan 0.000 1.159 405 N N -2.471 116.227 118.700 -0.004 0.000 1.518 405 N HA -0.339 4.401 4.740 -0.000 0.000 0.146 405 N C 0.974 176.452 175.510 -0.053 0.000 0.621 405 N CA 1.698 54.663 53.050 -0.141 0.000 1.108 405 N CB -0.771 37.583 38.487 -0.222 0.000 1.310 405 N HN 0.771 nan 8.380 nan 0.000 0.457 406 H N 0.907 120.044 119.070 0.111 0.000 2.548 406 H HA 0.098 4.654 4.556 -0.000 0.000 0.265 406 H C 0.653 176.050 175.328 0.115 0.000 0.969 406 H CA 0.442 56.553 56.048 0.104 0.000 1.155 406 H CB -0.066 29.664 29.762 -0.053 0.000 1.394 406 H HN 0.415 nan 8.280 nan 0.000 0.570 407 Q N 0.908 120.862 119.800 0.257 0.000 2.373 407 Q HA 0.078 4.417 4.340 -0.000 0.000 0.255 407 Q C -0.506 175.675 176.000 0.301 0.000 0.980 407 Q CA -0.027 55.909 55.803 0.222 0.000 0.882 407 Q CB 0.701 29.623 28.738 0.308 0.000 1.249 407 Q HN 0.496 nan 8.270 nan 0.000 0.438 408 H N 1.779 120.866 119.070 0.028 0.000 2.483 408 H HA 0.137 4.693 4.556 -0.000 0.000 0.338 408 H C -0.384 174.884 175.328 -0.100 0.000 1.152 408 H CA -1.198 54.815 56.048 -0.059 0.000 1.264 408 H CB 1.154 30.799 29.762 -0.195 0.000 1.510 408 H HN 0.488 nan 8.280 nan 0.000 0.530 409 Q N 2.760 122.559 119.800 -0.001 0.000 2.962 409 Q HA 0.006 4.346 4.340 -0.000 0.000 0.251 409 Q C -0.300 175.528 176.000 -0.288 0.000 1.380 409 Q CA 0.076 55.813 55.803 -0.110 0.000 0.926 409 Q CB -0.792 27.859 28.738 -0.146 0.000 1.704 409 Q HN 0.601 nan 8.270 nan 0.000 0.563 410 D N -1.850 118.362 120.400 -0.314 0.000 2.593 410 D HA 0.217 4.857 4.640 -0.000 0.000 0.241 410 D C 0.089 176.290 176.300 -0.165 0.000 1.257 410 D CA -0.623 53.097 54.000 -0.466 0.000 0.828 410 D CB 0.014 40.323 40.800 -0.818 0.000 1.049 410 D HN 0.178 nan 8.370 nan 0.000 0.490 411 A N 0.352 123.135 122.820 -0.061 0.000 2.567 411 A HA 0.446 4.766 4.320 -0.000 0.000 0.240 411 A C 1.806 179.465 177.584 0.125 0.000 1.053 411 A CA 0.732 52.808 52.037 0.065 0.000 0.755 411 A CB -0.487 18.545 19.000 0.053 0.000 0.978 411 A HN 1.042 nan 8.150 nan 0.000 0.507 412 G N 0.753 109.701 108.800 0.247 0.000 2.176 412 G HA2 0.131 4.091 3.960 -0.000 0.000 0.253 412 G HA3 0.131 4.091 3.960 -0.000 0.000 0.253 412 G C 0.617 175.784 174.900 0.444 0.000 0.979 412 G CA 0.531 45.860 45.100 0.381 0.000 0.641 412 G HN 2.271 nan 8.290 nan 0.000 0.530 413 A N 0.208 123.159 122.820 0.218 0.000 2.440 413 A HA 0.683 5.003 4.320 -0.000 0.000 0.251 413 A C 0.136 177.839 177.584 0.197 0.000 1.089 413 A CA 0.551 52.651 52.037 0.106 0.000 0.779 413 A CB -0.017 18.965 19.000 -0.030 0.000 1.022 413 A HN 1.625 nan 8.150 nan 0.000 0.492 414 F N -0.117 119.935 119.950 0.170 0.000 2.556 414 F HA 0.784 5.311 4.527 -0.000 0.000 0.327 414 F C -0.294 175.553 175.800 0.077 0.000 1.059 414 F CA -0.959 57.103 58.000 0.103 0.000 0.953 414 F CB 1.649 40.802 39.000 0.255 0.000 1.227 414 F HN 0.578 nan 8.300 nan 0.000 0.478 415 Q N 2.637 122.568 119.800 0.219 0.000 2.289 415 Q HA 0.628 4.968 4.340 -0.000 0.000 0.270 415 Q C -1.951 174.188 176.000 0.232 0.000 1.038 415 Q CA -0.621 55.268 55.803 0.144 0.000 0.812 415 Q CB 2.644 31.414 28.738 0.053 0.000 1.300 415 Q HN 0.896 nan 8.270 nan 0.000 0.427 416 I N 3.322 124.052 120.570 0.266 0.000 2.466 416 I HA 0.377 4.547 4.170 -0.000 0.000 0.289 416 I C -1.352 174.932 176.117 0.278 0.000 1.026 416 I CA -0.962 60.507 61.300 0.282 0.000 1.078 416 I CB 1.783 39.977 38.000 0.324 0.000 1.249 416 I HN 0.619 nan 8.210 nan 0.000 0.429 417 Y N 7.141 127.534 120.300 0.153 0.000 2.364 417 Y HA 0.579 5.128 4.550 -0.000 0.000 0.340 417 Y C -1.679 174.363 175.900 0.236 0.000 0.975 417 Y CA -0.786 57.403 58.100 0.149 0.000 1.089 417 Y CB 1.576 40.093 38.460 0.094 0.000 1.192 417 Y HN 0.513 nan 8.280 nan 0.000 0.454 418 Y N 6.101 126.205 120.300 -0.327 0.000 2.287 418 Y HA 0.266 4.816 4.550 -0.000 0.000 0.321 418 Y C -0.543 175.127 175.900 -0.382 0.000 1.173 418 Y CA -1.735 56.259 58.100 -0.177 0.000 1.124 418 Y CB 0.792 39.247 38.460 -0.009 0.000 1.201 418 Y HN 0.786 nan 8.280 nan 0.000 0.421 419 K N 3.947 123.890 120.400 -0.762 0.000 3.077 419 K HA -0.129 4.191 4.320 -0.000 0.000 0.264 419 K C 0.178 176.432 176.600 -0.577 0.000 1.008 419 K CA 1.261 57.184 56.287 -0.608 0.000 0.740 419 K CB -1.476 30.581 32.500 -0.737 0.000 1.273 419 K HN 1.436 nan 8.250 nan 0.000 0.477 420 G N -0.809 107.339 108.800 -1.087 0.000 2.375 420 G HA2 0.028 3.988 3.960 -0.000 0.000 0.663 420 G HA3 0.028 3.988 3.960 -0.000 0.000 0.663 420 G C -3.288 171.147 174.900 -0.775 0.000 1.391 420 G CA -1.198 43.479 45.100 -0.705 0.000 0.949 420 G HN -0.114 nan 8.290 nan 0.000 0.646 421 P HA 0.422 nan 4.420 nan 0.000 0.276 421 P C 0.729 178.031 177.300 0.003 0.000 1.264 421 P CA -0.213 62.905 63.100 0.030 0.000 0.769 421 P CB 0.788 32.556 31.700 0.113 0.000 0.840 422 L N 2.575 123.827 121.223 0.049 0.000 2.546 422 L HA 0.337 4.677 4.340 -0.000 0.000 0.182 422 L C 1.128 178.077 176.870 0.132 0.000 1.167 422 L CA 0.286 55.174 54.840 0.080 0.000 0.845 422 L CB -0.573 41.547 42.059 0.102 0.000 1.134 422 L HN 0.206 nan 8.230 nan 0.000 0.500 423 A N 1.705 124.632 122.820 0.178 0.000 2.294 423 A HA 0.550 4.869 4.320 -0.000 0.000 0.316 423 A C -0.248 177.407 177.584 0.117 0.000 1.359 423 A CA -0.406 51.744 52.037 0.187 0.000 0.956 423 A CB -0.448 18.753 19.000 0.335 0.000 1.155 423 A HN 0.352 nan 8.150 nan 0.000 0.544 424 I N -0.935 119.689 120.570 0.091 0.000 2.947 424 I HA 0.614 4.784 4.170 -0.000 0.000 0.314 424 I C -0.678 175.429 176.117 -0.017 0.000 1.028 424 I CA -0.903 60.437 61.300 0.067 0.000 1.077 424 I CB 1.827 39.881 38.000 0.089 0.000 1.274 424 I HN 0.347 nan 8.210 nan 0.000 0.485 425 D N 3.237 123.635 120.400 -0.002 0.000 2.454 425 D HA 0.536 5.176 4.640 -0.000 0.000 0.225 425 D C -0.323 175.987 176.300 0.017 0.000 1.081 425 D CA -0.079 53.879 54.000 -0.069 0.000 0.864 425 D CB 1.496 42.321 40.800 0.042 0.000 1.040 425 D HN 0.795 nan 8.370 nan 0.000 0.517 426 A N 2.040 124.778 122.820 -0.137 0.000 2.257 426 A HA 0.834 5.154 4.320 -0.000 0.000 0.289 426 A C 0.836 178.755 177.584 0.559 0.000 1.095 426 A CA 0.392 52.553 52.037 0.208 0.000 0.836 426 A CB 0.410 19.550 19.000 0.234 0.000 1.111 426 A HN 0.897 nan 8.150 nan 0.000 0.497 427 G N -1.242 108.029 108.800 0.786 0.000 2.728 427 G HA2 0.308 4.267 3.960 -0.000 0.000 0.294 427 G HA3 0.308 4.267 3.960 -0.000 0.000 0.294 427 G C -0.155 174.919 174.900 0.289 0.000 1.342 427 G CA 0.086 45.566 45.100 0.633 0.000 0.866 427 G HN 1.965 nan 8.290 nan 0.000 0.534 428 S N -1.905 113.577 115.700 -0.363 0.000 2.546 428 S HA 0.581 5.051 4.470 -0.000 0.000 0.274 428 S C 0.575 174.492 174.600 -1.138 0.000 1.121 428 S CA 0.432 58.242 58.200 -0.650 0.000 0.887 428 S CB 1.485 64.596 63.200 -0.148 0.000 1.094 428 S HN 1.529 nan 8.310 nan 0.000 0.474 429 Y N 3.791 123.556 120.300 -0.892 0.000 2.145 429 Y HA 0.048 4.598 4.550 -0.000 0.000 0.286 429 Y C 1.321 177.162 175.900 -0.099 0.000 1.145 429 Y CA 2.239 60.186 58.100 -0.255 0.000 1.148 429 Y CB -0.477 38.090 38.460 0.178 0.000 0.981 429 Y HN 0.739 nan 8.280 nan 0.000 0.507 430 T N -1.930 112.512 114.554 -0.186 0.000 2.926 430 T HA 0.762 5.112 4.350 -0.000 0.000 0.289 430 T C 0.143 174.746 174.700 -0.162 0.000 1.054 430 T CA -0.254 61.719 62.100 -0.211 0.000 1.015 430 T CB 1.948 70.720 68.868 -0.160 0.000 1.167 430 T HN 0.628 nan 8.240 nan 0.000 0.526 431 G N 0.434 109.157 108.800 -0.128 0.000 2.455 431 G HA2 0.285 4.245 3.960 -0.000 0.000 0.223 431 G HA3 0.285 4.245 3.960 -0.000 0.000 0.223 431 G C 0.712 175.568 174.900 -0.072 0.000 1.226 431 G CA 0.331 45.373 45.100 -0.097 0.000 0.948 431 G HN 1.435 nan 8.290 nan 0.000 0.478 432 S N -0.355 115.310 115.700 -0.059 0.000 2.474 432 S HA 0.030 4.500 4.470 -0.000 0.000 0.235 432 S C 2.218 176.804 174.600 -0.023 0.000 0.997 432 S CA 2.176 60.358 58.200 -0.030 0.000 0.949 432 S CB 0.024 63.216 63.200 -0.014 0.000 0.766 432 S HN 1.054 nan 8.310 nan 0.000 0.517 433 S N 0.867 116.541 115.700 -0.043 0.000 2.406 433 S HA 0.419 4.889 4.470 -0.000 0.000 0.228 433 S C 1.061 175.664 174.600 0.004 0.000 1.020 433 S CA 0.973 59.173 58.200 0.000 0.000 0.965 433 S CB -0.703 62.511 63.200 0.024 0.000 0.798 433 S HN 1.194 nan 8.310 nan 0.000 0.488 434 G N -1.160 107.624 108.800 -0.027 0.000 2.280 434 G HA2 0.290 4.250 3.960 -0.000 0.000 0.277 434 G HA3 0.290 4.250 3.960 -0.000 0.000 0.277 434 G C 0.057 174.918 174.900 -0.065 0.000 1.288 434 G CA -0.323 44.763 45.100 -0.023 0.000 1.075 434 G HN 0.665 nan 8.290 nan 0.000 0.480 435 G N -1.728 107.041 108.800 -0.051 0.000 2.714 435 G HA2 0.470 4.430 3.960 -0.000 0.000 0.197 435 G HA3 0.470 4.430 3.960 -0.000 0.000 0.197 435 G C 0.969 175.821 174.900 -0.080 0.000 1.449 435 G CA 0.849 45.876 45.100 -0.123 0.000 1.065 435 G HN 1.161 nan 8.290 nan 0.000 0.575 436 Y N 0.583 120.801 120.300 -0.136 0.000 2.193 436 Y HA -0.212 4.338 4.550 -0.000 0.000 0.285 436 Y C 2.464 178.485 175.900 0.202 0.000 1.166 436 Y CA 2.500 60.667 58.100 0.111 0.000 1.181 436 Y CB -0.184 38.387 38.460 0.185 0.000 0.976 436 Y HN 0.442 nan 8.280 nan 0.000 0.520 437 N N 0.087 118.946 118.700 0.266 0.000 2.461 437 N HA -0.013 4.726 4.740 -0.000 0.000 0.188 437 N C 0.073 175.665 175.510 0.137 0.000 1.134 437 N CA 0.334 53.527 53.050 0.238 0.000 0.878 437 N CB -0.058 38.514 38.487 0.141 0.000 0.972 437 N HN 0.222 nan 8.380 nan 0.000 0.456 438 S N 0.333 116.085 115.700 0.088 0.000 2.584 438 S HA 0.167 4.637 4.470 -0.000 0.000 0.270 438 S C -1.641 172.984 174.600 0.042 0.000 1.346 438 S CA -1.235 57.002 58.200 0.063 0.000 1.018 438 S CB 1.198 64.431 63.200 0.055 0.000 0.899 438 S HN -0.118 nan 8.310 nan 0.000 0.542 439 P HA -0.188 nan 4.420 nan 0.000 0.216 439 P C 1.429 178.703 177.300 -0.043 0.000 1.150 439 P CA 1.429 64.546 63.100 0.029 0.000 0.843 439 P CB -0.229 31.579 31.700 0.180 0.000 0.787 440 H N -0.348 118.712 119.070 -0.017 0.000 2.321 440 H HA -0.113 4.443 4.556 -0.000 0.000 0.300 440 H C 1.774 177.093 175.328 -0.015 0.000 1.087 440 H CA 1.497 57.524 56.048 -0.034 0.000 1.319 440 H CB -0.365 29.335 29.762 -0.103 0.000 1.379 440 H HN 0.034 nan 8.280 nan 0.000 0.501 441 N N 0.892 119.602 118.700 0.016 0.000 2.043 441 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 441 N C 1.990 177.426 175.510 -0.123 0.000 1.037 441 N CA 1.248 54.314 53.050 0.026 0.000 0.851 441 N CB -0.145 38.389 38.487 0.078 0.000 1.027 441 N HN 0.449 nan 8.380 nan 0.000 0.422 442 K N 0.459 120.738 120.400 -0.201 0.000 2.097 442 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 442 K C 1.160 177.619 176.600 -0.235 0.000 1.050 442 K CA 0.876 57.051 56.287 -0.186 0.000 0.938 442 K CB 0.067 32.448 32.500 -0.199 0.000 0.718 442 K HN 0.238 nan 8.250 nan 0.000 0.442 443 N N -1.272 117.185 118.700 -0.405 0.000 2.294 443 N HA 0.032 4.772 4.740 -0.000 0.000 0.186 443 N C 0.810 176.069 175.510 -0.419 0.000 1.107 443 N CA 0.443 53.126 53.050 -0.612 0.000 0.884 443 N CB 0.558 38.242 38.487 -1.338 0.000 1.030 443 N HN 0.068 nan 8.380 nan 0.000 0.482 444 F N -0.508 119.147 119.950 -0.492 0.000 2.268 444 F HA 0.236 4.763 4.527 -0.000 0.000 0.262 444 F C 1.705 177.301 175.800 -0.340 0.000 0.910 444 F CA -0.388 57.389 58.000 -0.372 0.000 1.142 444 F CB -0.456 38.337 39.000 -0.346 0.000 1.229 444 F HN -0.244 nan 8.300 nan 0.000 0.781 445 F N 2.387 121.992 119.950 -0.575 0.000 2.095 445 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 445 F C 1.897 177.301 175.800 -0.659 0.000 1.104 445 F CA 1.950 59.642 58.000 -0.513 0.000 1.232 445 F CB -0.520 38.303 39.000 -0.296 0.000 0.987 445 F HN -0.090 nan 8.300 nan 0.000 0.475 446 K N 0.035 120.079 120.400 -0.593 0.000 2.444 446 K HA 0.042 4.362 4.320 -0.000 0.000 0.193 446 K C 0.261 176.678 176.600 -0.304 0.000 1.024 446 K CA -0.013 55.875 56.287 -0.665 0.000 1.077 446 K CB 0.256 32.716 32.500 -0.068 0.000 0.833 446 K HN 0.048 nan 8.250 nan 0.000 0.517 447 R N -0.013 120.283 120.500 -0.341 0.000 2.758 447 R HA 0.173 4.513 4.340 -0.000 0.000 0.265 447 R C 1.178 177.360 176.300 -0.197 0.000 1.016 447 R CA -0.323 55.588 56.100 -0.315 0.000 1.040 447 R CB 0.552 30.615 30.300 -0.396 0.000 1.152 447 R HN -0.138 nan 8.270 nan 0.000 0.503 448 T N 1.185 115.632 114.554 -0.179 0.000 2.759 448 T HA -0.124 4.225 4.350 -0.000 0.000 0.269 448 T C 1.763 176.455 174.700 -0.013 0.000 1.042 448 T CA 1.147 63.202 62.100 -0.075 0.000 1.140 448 T CB -0.122 68.697 68.868 -0.082 0.000 0.864 448 T HN 0.514 nan 8.240 nan 0.000 0.455 449 I N 0.912 121.418 120.570 -0.108 0.000 2.700 449 I HA -0.109 4.061 4.170 -0.000 0.000 0.261 449 I C 2.184 178.176 176.117 -0.209 0.000 1.219 449 I CA 0.609 61.865 61.300 -0.073 0.000 1.463 449 I CB -0.178 37.799 38.000 -0.039 0.000 1.092 449 I HN 0.197 nan 8.210 nan 0.000 0.452 450 A N -0.889 121.539 122.820 -0.653 0.000 2.238 450 A HA 0.074 4.394 4.320 -0.000 0.000 0.208 450 A C 0.153 176.992 177.584 -1.243 0.000 1.177 450 A CA 0.365 51.693 52.037 -1.182 0.000 0.804 450 A CB -0.564 17.587 19.000 -1.415 0.000 0.823 450 A HN 0.551 nan 8.150 nan 0.000 0.482 451 H N -1.179 117.585 119.070 -0.511 0.000 2.797 451 H HA 0.365 4.921 4.556 -0.000 0.000 0.372 451 H C -0.621 174.570 175.328 -0.228 0.000 1.168 451 H CA -1.155 54.670 56.048 -0.373 0.000 1.163 451 H CB 0.691 30.306 29.762 -0.245 0.000 1.778 451 H HN 0.075 nan 8.280 nan 0.000 0.551 452 N N 1.135 119.700 118.700 -0.225 0.000 2.895 452 N HA 0.094 4.834 4.740 -0.000 0.000 0.277 452 N C -0.544 174.734 175.510 -0.386 0.000 1.185 452 N CA 0.138 52.884 53.050 -0.506 0.000 1.106 452 N CB 0.728 38.453 38.487 -1.270 0.000 1.422 452 N HN 0.410 nan 8.380 nan 0.000 0.521 453 S N 0.497 116.088 115.700 -0.181 0.000 3.605 453 S HA 0.668 5.138 4.470 -0.000 0.000 0.301 453 S C -1.310 173.275 174.600 -0.026 0.000 1.083 453 S CA -0.532 57.645 58.200 -0.038 0.000 1.109 453 S CB 0.542 63.774 63.200 0.053 0.000 1.364 453 S HN 0.237 nan 8.310 nan 0.000 0.758 454 L N 1.947 123.249 121.223 0.131 0.000 2.385 454 L HA 0.620 4.960 4.340 -0.000 0.000 0.273 454 L C -1.309 175.740 176.870 0.299 0.000 0.990 454 L CA -0.474 54.479 54.840 0.187 0.000 0.821 454 L CB 1.738 43.901 42.059 0.175 0.000 1.279 454 L HN 0.476 nan 8.230 nan 0.000 0.412 455 L N 4.019 125.445 121.223 0.338 0.000 2.342 455 L HA 0.649 4.989 4.340 -0.000 0.000 0.271 455 L C -0.999 176.126 176.870 0.425 0.000 1.008 455 L CA -0.721 54.364 54.840 0.410 0.000 0.818 455 L CB 2.279 44.584 42.059 0.410 0.000 1.296 455 L HN 0.417 nan 8.230 nan 0.000 0.427 456 I N 1.995 122.761 120.570 0.327 0.000 2.476 456 I HA 0.204 4.374 4.170 -0.000 0.000 0.281 456 I C -0.950 175.290 176.117 0.206 0.000 1.040 456 I CA -0.171 61.280 61.300 0.252 0.000 1.094 456 I CB 1.321 39.361 38.000 0.066 0.000 1.219 456 I HN 0.326 nan 8.210 nan 0.000 0.450 457 Y N 5.402 125.803 120.300 0.168 0.000 2.486 457 Y HA 0.347 4.896 4.550 -0.000 0.000 0.348 457 Y C 0.004 175.750 175.900 -0.257 0.000 1.000 457 Y CA -0.177 57.899 58.100 -0.041 0.000 1.253 457 Y CB 0.483 38.935 38.460 -0.013 0.000 1.140 457 Y HN 0.509 nan 8.280 nan 0.000 0.526 458 D N 9.149 129.041 120.400 -0.846 0.000 2.427 458 D HA 0.251 4.891 4.640 -0.000 0.000 0.226 458 D C -1.905 173.882 176.300 -0.855 0.000 1.076 458 D CA -2.692 50.639 54.000 -1.114 0.000 0.849 458 D CB 1.618 41.667 40.800 -1.252 0.000 1.052 458 D HN 0.306 nan 8.370 nan 0.000 0.515 459 P HA -0.138 nan 4.420 nan 0.000 0.223 459 P C 0.420 177.579 177.300 -0.236 0.000 1.144 459 P CA 0.942 63.870 63.100 -0.287 0.000 0.783 459 P CB 0.360 32.094 31.700 0.057 0.000 0.771 460 K N -0.533 119.717 120.400 -0.250 0.000 2.358 460 K HA 0.089 4.409 4.320 -0.000 0.000 0.197 460 K C 0.895 177.347 176.600 -0.247 0.000 1.025 460 K CA -0.179 55.994 56.287 -0.189 0.000 1.104 460 K CB 0.353 32.785 32.500 -0.113 0.000 0.855 460 K HN 0.212 nan 8.250 nan 0.000 0.531 461 E N 2.554 122.555 120.200 -0.332 0.000 2.384 461 E HA -0.009 4.341 4.350 -0.000 0.000 0.266 461 E C -0.524 175.880 176.600 -0.327 0.000 1.012 461 E CA -0.023 56.147 56.400 -0.384 0.000 0.901 461 E CB 0.679 30.089 29.700 -0.484 0.000 0.967 461 E HN 0.070 nan 8.360 nan 0.000 0.435 462 T N 0.953 115.270 114.554 -0.394 0.000 2.925 462 T HA 0.519 4.868 4.350 -0.000 0.000 0.285 462 T C -0.496 173.993 174.700 -0.353 0.000 1.021 462 T CA -0.760 61.181 62.100 -0.265 0.000 1.042 462 T CB 0.623 69.334 68.868 -0.263 0.000 1.037 462 T HN 0.281 nan 8.240 nan 0.000 0.481 463 F N 1.326 121.295 119.950 0.032 0.000 2.532 463 F HA 0.462 4.989 4.527 -0.000 0.000 0.365 463 F C 0.736 176.611 175.800 0.125 0.000 1.112 463 F CA -0.875 57.110 58.000 -0.025 0.000 1.082 463 F CB 1.587 40.479 39.000 -0.181 0.000 1.319 463 F HN 0.691 nan 8.300 nan 0.000 0.457 464 S N 1.496 117.305 115.700 0.183 0.000 2.481 464 S HA 0.318 4.788 4.470 -0.000 0.000 0.276 464 S C 0.731 175.372 174.600 0.069 0.000 1.247 464 S CA -0.002 58.223 58.200 0.042 0.000 1.053 464 S CB 0.356 63.547 63.200 -0.014 0.000 0.925 464 S HN 0.659 nan 8.310 nan 0.000 0.491 465 S N 2.548 118.280 115.700 0.053 0.000 2.846 465 S HA 0.104 4.574 4.470 -0.000 0.000 0.249 465 S C 1.358 176.089 174.600 0.218 0.000 1.028 465 S CA 0.103 58.465 58.200 0.270 0.000 1.043 465 S CB -0.163 63.221 63.200 0.306 0.000 0.990 465 S HN 0.779 nan 8.310 nan 0.000 0.564 466 S N 1.485 117.222 115.700 0.062 0.000 2.399 466 S HA 0.025 4.495 4.470 -0.000 0.000 0.231 466 S C 1.864 176.511 174.600 0.078 0.000 1.022 466 S CA 1.135 59.353 58.200 0.029 0.000 0.983 466 S CB -1.086 62.065 63.200 -0.082 0.000 0.803 466 S HN 0.637 nan 8.310 nan 0.000 0.480 467 G N -0.464 108.403 108.800 0.112 0.000 2.623 467 G HA2 0.049 4.009 3.960 -0.000 0.000 0.214 467 G HA3 0.049 4.009 3.960 -0.000 0.000 0.214 467 G C 0.265 175.269 174.900 0.174 0.000 1.138 467 G CA -0.269 44.884 45.100 0.088 0.000 0.794 467 G HN 0.597 nan 8.290 nan 0.000 0.535 468 Y N 1.982 122.353 120.300 0.118 0.000 2.620 468 Y HA 0.351 4.901 4.550 -0.000 0.000 0.330 468 Y C 0.980 176.950 175.900 0.117 0.000 1.186 468 Y CA 0.660 58.760 58.100 0.000 0.000 1.467 468 Y CB 0.132 38.505 38.460 -0.145 0.000 1.262 468 Y HN 0.545 nan 8.280 nan 0.000 0.550 469 G N 3.579 112.120 108.800 -0.433 0.000 2.829 469 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.628 469 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.628 469 G C 0.542 175.423 174.900 -0.032 0.000 1.412 469 G CA -0.313 44.646 45.100 -0.234 0.000 0.864 469 G HN 1.426 nan 8.290 nan 0.000 0.544 470 G N -1.055 107.694 108.800 -0.084 0.000 3.159 470 G HA2 0.579 4.539 3.960 -0.000 0.000 0.232 470 G HA3 0.579 4.539 3.960 -0.000 0.000 0.232 470 G C 0.557 175.397 174.900 -0.099 0.000 1.116 470 G CA 1.699 46.804 45.100 0.009 0.000 0.767 470 G HN 1.809 nan 8.290 nan 0.000 0.547 471 S N -0.560 114.919 115.700 -0.368 0.000 2.565 471 S HA 0.409 4.879 4.470 -0.000 0.000 0.269 471 S C -0.869 173.499 174.600 -0.387 0.000 1.153 471 S CA 0.325 58.331 58.200 -0.323 0.000 0.835 471 S CB 1.492 64.637 63.200 -0.091 0.000 1.122 471 S HN 0.185 nan 8.310 nan 0.000 0.462 472 D N 1.604 121.879 120.400 -0.207 0.000 2.772 472 D HA -0.159 4.481 4.640 -0.000 0.000 0.233 472 D C -0.197 176.067 176.300 -0.061 0.000 1.143 472 D CA 1.017 54.971 54.000 -0.075 0.000 0.700 472 D CB -1.788 38.999 40.800 -0.021 0.000 1.076 472 D HN 0.626 nan 8.370 nan 0.000 0.430 473 H N -0.149 118.969 119.070 0.080 0.000 2.983 473 H HA 0.326 4.882 4.556 -0.000 0.000 0.361 473 H C 0.594 175.965 175.328 0.070 0.000 1.145 473 H CA 1.091 57.190 56.048 0.085 0.000 1.404 473 H CB 0.789 30.587 29.762 0.059 0.000 1.356 473 H HN 0.139 nan 8.280 nan 0.000 0.612 474 T N 1.800 116.476 114.554 0.202 0.000 3.237 474 T HA 0.070 4.420 4.350 -0.000 0.000 0.319 474 T C 0.450 175.180 174.700 0.051 0.000 1.037 474 T CA -0.740 61.430 62.100 0.117 0.000 1.048 474 T CB 0.831 69.767 68.868 0.113 0.000 1.081 474 T HN 0.451 nan 8.240 nan 0.000 0.455 475 D N 2.508 122.884 120.400 -0.039 0.000 2.104 475 D HA 0.077 4.717 4.640 -0.000 0.000 0.194 475 D C 0.210 176.164 176.300 -0.577 0.000 0.994 475 D CA 1.658 55.465 54.000 -0.321 0.000 0.830 475 D CB 0.155 40.739 40.800 -0.359 0.000 0.959 475 D HN 0.478 nan 8.370 nan 0.000 0.452 476 F N -1.000 118.994 119.950 0.073 0.000 2.577 476 F HA 0.637 5.164 4.527 -0.000 0.000 0.318 476 F C 0.263 176.085 175.800 0.037 0.000 1.065 476 F CA -1.271 56.765 58.000 0.060 0.000 0.929 476 F CB 1.791 40.819 39.000 0.048 0.000 1.237 476 F HN -0.248 nan 8.300 nan 0.000 0.468 477 A N 1.001 123.946 122.820 0.209 0.000 2.288 477 A HA 0.873 5.193 4.320 -0.000 0.000 0.328 477 A C -0.575 176.974 177.584 -0.058 0.000 1.123 477 A CA -0.613 51.428 52.037 0.006 0.000 0.861 477 A CB 0.675 19.591 19.000 -0.140 0.000 1.272 477 A HN 0.987 nan 8.150 nan 0.000 0.490 478 A N 0.777 123.486 122.820 -0.185 0.000 2.483 478 A HA 0.339 4.659 4.320 -0.000 0.000 0.238 478 A C 0.417 177.763 177.584 -0.397 0.000 1.070 478 A CA -0.163 51.772 52.037 -0.169 0.000 0.770 478 A CB -0.316 18.616 19.000 -0.113 0.000 1.008 478 A HN 0.792 nan 8.150 nan 0.000 0.497 479 N N 1.332 119.883 118.700 -0.248 0.000 2.402 479 N HA 0.019 4.759 4.740 -0.000 0.000 0.259 479 N C 0.135 175.509 175.510 -0.227 0.000 1.167 479 N CA 0.051 52.874 53.050 -0.377 0.000 0.949 479 N CB 0.610 39.007 38.487 -0.149 0.000 1.212 479 N HN 0.625 nan 8.380 nan 0.000 0.493 480 D N 2.430 122.574 120.400 -0.426 0.000 2.349 480 D HA 0.078 4.718 4.640 -0.000 0.000 0.214 480 D C 0.986 177.386 176.300 0.167 0.000 1.063 480 D CA 0.346 54.340 54.000 -0.010 0.000 0.847 480 D CB -0.352 40.340 40.800 -0.181 0.000 0.933 480 D HN 0.606 nan 8.370 nan 0.000 0.513 481 G N -0.039 108.766 108.800 0.009 0.000 2.166 481 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.260 481 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.260 481 G C 0.632 175.663 174.900 0.218 0.000 0.986 481 G CA 0.421 45.604 45.100 0.138 0.000 0.683 481 G HN 0.789 nan 8.290 nan 0.000 0.527 482 G N -1.098 107.779 108.800 0.129 0.000 2.782 482 G HA2 0.604 4.563 3.960 -0.000 0.000 0.201 482 G HA3 0.604 4.563 3.960 -0.000 0.000 0.201 482 G C 0.107 175.058 174.900 0.085 0.000 1.374 482 G CA -0.301 44.878 45.100 0.131 0.000 1.039 482 G HN 0.523 nan 8.290 nan 0.000 0.576 483 Q N -0.046 119.612 119.800 -0.237 0.000 2.306 483 Q HA 0.325 4.665 4.340 -0.000 0.000 0.241 483 Q C 0.177 176.081 176.000 -0.160 0.000 0.948 483 Q CA -0.230 55.285 55.803 -0.479 0.000 0.886 483 Q CB 1.170 29.524 28.738 -0.641 0.000 1.227 483 Q HN 0.327 nan 8.270 nan 0.000 0.457 484 R N 0.719 121.094 120.500 -0.207 0.000 2.817 484 R HA 0.007 4.347 4.340 -0.000 0.000 0.264 484 R C -0.393 175.782 176.300 -0.208 0.000 1.009 484 R CA 0.259 56.242 56.100 -0.194 0.000 1.133 484 R CB 0.039 30.213 30.300 -0.211 0.000 1.013 484 R HN 0.460 nan 8.270 nan 0.000 0.453 485 L N 3.916 124.991 121.223 -0.247 0.000 2.272 485 L HA 0.320 4.660 4.340 -0.000 0.000 0.284 485 L C -2.016 174.783 176.870 -0.118 0.000 1.045 485 L CA -2.216 52.405 54.840 -0.365 0.000 0.842 485 L CB 0.929 42.625 42.059 -0.605 0.000 1.224 485 L HN 0.320 nan 8.230 nan 0.000 0.430 486 P HA 0.322 nan 4.420 nan 0.000 0.275 486 P C 0.424 177.699 177.300 -0.043 0.000 1.270 486 P CA 0.095 63.115 63.100 -0.133 0.000 0.791 486 P CB 0.601 32.223 31.700 -0.130 0.000 1.089 487 G N -0.339 108.228 108.800 -0.387 0.000 2.750 487 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.228 487 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.228 487 G C -1.012 173.899 174.900 0.018 0.000 1.367 487 G CA -0.621 44.458 45.100 -0.036 0.000 0.871 487 G HN 0.603 nan 8.290 nan 0.000 0.560 488 K N 1.111 121.563 120.400 0.087 0.000 2.184 488 K HA 0.484 4.804 4.320 -0.000 0.000 0.259 488 K C 0.947 177.587 176.600 0.067 0.000 1.119 488 K CA 0.231 56.544 56.287 0.045 0.000 0.991 488 K CB 0.531 33.051 32.500 0.034 0.000 1.522 488 K HN 2.282 nan 8.250 nan 0.000 0.405 489 G N 2.641 111.486 108.800 0.074 0.000 2.212 489 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.255 489 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.255 489 G C -0.298 174.777 174.900 0.293 0.000 1.062 489 G CA -0.285 44.885 45.100 0.117 0.000 0.815 489 G HN 0.765 nan 8.290 nan 0.000 0.497 490 W N -2.005 119.336 121.300 0.068 0.000 5.820 490 W HA -0.114 4.545 4.660 -0.000 0.000 0.415 490 W C -0.796 175.843 176.519 0.200 0.000 1.627 490 W CA -0.000 57.426 57.345 0.135 0.000 0.991 490 W CB -1.433 28.107 29.460 0.133 0.000 2.842 490 W HN 0.783 nan 8.180 nan 0.000 1.416 491 I N 1.899 122.638 120.570 0.283 0.000 2.656 491 I HA 0.627 4.797 4.170 -0.000 0.000 0.292 491 I C 0.680 176.906 176.117 0.181 0.000 1.144 491 I CA -0.465 60.914 61.300 0.131 0.000 1.038 491 I CB 1.460 39.508 38.000 0.080 0.000 1.244 491 I HN 0.152 nan 8.210 nan 0.000 0.420 492 A N 9.052 131.909 122.820 0.061 0.000 2.466 492 A HA 0.541 4.861 4.320 -0.000 0.000 0.238 492 A C -2.363 175.173 177.584 -0.081 0.000 1.074 492 A CA -0.543 51.473 52.037 -0.034 0.000 0.774 492 A CB -0.699 18.236 19.000 -0.108 0.000 1.015 492 A HN 0.496 nan 8.150 nan 0.000 0.498 493 P HA 0.190 nan 4.420 nan 0.000 0.276 493 P C 0.503 177.688 177.300 -0.192 0.000 1.261 493 P CA -0.502 62.468 63.100 -0.217 0.000 0.800 493 P CB 0.825 32.257 31.700 -0.447 0.000 1.066 494 R N 0.391 120.814 120.500 -0.128 0.000 2.066 494 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 494 R C 0.385 176.593 176.300 -0.153 0.000 1.131 494 R CA 1.963 57.995 56.100 -0.114 0.000 0.955 494 R CB -0.087 30.169 30.300 -0.073 0.000 0.851 494 R HN 0.694 nan 8.270 nan 0.000 0.432 495 D N -2.488 117.803 120.400 -0.181 0.000 2.895 495 D HA -0.009 4.630 4.640 -0.000 0.000 0.320 495 D C 0.454 176.588 176.300 -0.275 0.000 1.249 495 D CA -0.705 53.174 54.000 -0.202 0.000 0.997 495 D CB -0.007 40.701 40.800 -0.153 0.000 1.430 495 D HN -0.060 nan 8.370 nan 0.000 0.558 496 L N 0.342 121.386 121.223 -0.299 0.000 2.056 496 L HA 0.073 4.413 4.340 -0.000 0.000 0.207 496 L C 2.228 178.858 176.870 -0.400 0.000 1.078 496 L CA 1.920 56.492 54.840 -0.445 0.000 0.749 496 L CB -0.771 40.986 42.059 -0.503 0.000 0.901 496 L HN 0.647 nan 8.230 nan 0.000 0.433 497 K N -0.070 120.164 120.400 -0.276 0.000 2.020 497 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 497 K C 1.154 177.654 176.600 -0.167 0.000 1.050 497 K CA 1.380 57.545 56.287 -0.204 0.000 0.929 497 K CB -0.242 32.172 32.500 -0.143 0.000 0.714 497 K HN 0.500 nan 8.250 nan 0.000 0.443 501 A N 0.836 123.649 122.820 -0.012 0.000 2.066 501 A HA 0.363 4.682 4.320 -0.000 0.000 0.218 501 A C 1.454 179.058 177.584 0.033 0.000 1.157 501 A CA 1.480 53.520 52.037 0.004 0.000 0.670 501 A CB -0.553 18.437 19.000 -0.016 0.000 0.804 501 A HN 0.365 nan 8.150 nan 0.000 0.453 502 G N -0.103 108.758 108.800 0.103 0.000 2.666 502 G HA2 0.348 4.308 3.960 -0.000 0.000 0.207 502 G HA3 0.348 4.308 3.960 -0.000 0.000 0.207 502 G C -0.125 174.729 174.900 -0.077 0.000 1.481 502 G CA 0.444 45.572 45.100 0.047 0.000 1.071 502 G HN 0.347 nan 8.290 nan 0.000 0.572 503 D N -1.016 119.149 120.400 -0.391 0.000 2.894 503 D HA 0.189 4.829 4.640 -0.000 0.000 0.273 503 D C 0.124 176.129 176.300 -0.492 0.000 1.328 503 D CA -0.439 53.331 54.000 -0.384 0.000 0.845 503 D CB -0.152 40.435 40.800 -0.354 0.000 1.072 503 D HN 0.204 nan 8.370 nan 0.000 0.484 504 F N 0.035 119.979 119.950 -0.010 0.000 2.749 504 F HA 0.227 4.754 4.527 -0.000 0.000 0.300 504 F C 1.345 177.110 175.800 -0.058 0.000 1.103 504 F CA -0.705 57.299 58.000 0.006 0.000 1.342 504 F CB 0.192 39.204 39.000 0.020 0.000 1.098 504 F HN -0.129 nan 8.300 nan 0.000 0.586 505 R N 1.252 121.694 120.500 -0.096 0.000 2.449 505 R HA 0.087 4.427 4.340 -0.000 0.000 0.296 505 R C 0.860 177.006 176.300 -0.257 0.000 1.047 505 R CA 0.938 56.750 56.100 -0.480 0.000 1.018 505 R CB 0.275 30.322 30.300 -0.421 0.000 0.962 505 R HN 0.212 nan 8.270 nan 0.000 0.428 506 T N 0.135 114.545 114.554 -0.239 0.000 3.058 506 T HA 0.395 4.745 4.350 -0.000 0.000 0.278 506 T C 0.441 175.108 174.700 -0.055 0.000 0.974 506 T CA 0.039 62.076 62.100 -0.105 0.000 0.893 506 T CB 0.758 69.599 68.868 -0.046 0.000 1.138 506 T HN 0.582 nan 8.240 nan 0.000 0.529 507 G N 0.405 109.150 108.800 -0.091 0.000 2.523 507 G HA2 0.546 4.506 3.960 -0.000 0.000 0.291 507 G HA3 0.546 4.506 3.960 -0.000 0.000 0.291 507 G C -2.402 172.481 174.900 -0.029 0.000 1.450 507 G CA -0.953 44.141 45.100 -0.011 0.000 0.790 507 G HN 0.339 nan 8.290 nan 0.000 0.496 508 K N 0.409 120.826 120.400 0.028 0.000 2.535 508 K HA 0.630 4.950 4.320 -0.000 0.000 0.250 508 K C -0.807 175.839 176.600 0.076 0.000 0.948 508 K CA -0.703 55.606 56.287 0.036 0.000 0.796 508 K CB 1.357 33.874 32.500 0.029 0.000 1.216 508 K HN 0.426 nan 8.250 nan 0.000 0.432 509 I N 6.680 127.303 120.570 0.088 0.000 2.452 509 I HA 0.059 4.229 4.170 -0.000 0.000 0.287 509 I C 0.774 176.942 176.117 0.086 0.000 1.079 509 I CA 0.021 61.388 61.300 0.112 0.000 1.387 509 I CB 0.551 38.639 38.000 0.147 0.000 1.404 509 I HN 0.630 nan 8.210 nan 0.000 0.522 510 L N 6.276 127.547 121.223 0.080 0.000 2.316 510 L HA 0.440 4.779 4.340 -0.000 0.000 0.207 510 L C 0.781 177.693 176.870 0.069 0.000 1.070 510 L CA 0.207 55.093 54.840 0.077 0.000 0.820 510 L CB 0.022 42.136 42.059 0.092 0.000 0.992 510 L HN 0.766 nan 8.230 nan 0.000 0.466 511 A N 0.135 122.969 122.820 0.024 0.000 2.599 511 A HA 0.642 4.962 4.320 -0.000 0.000 0.294 511 A C -1.830 175.638 177.584 -0.193 0.000 1.055 511 A CA -0.517 51.520 52.037 -0.000 0.000 0.683 511 A CB 1.468 20.573 19.000 0.174 0.000 1.278 511 A HN 0.101 nan 8.150 nan 0.000 0.412 512 Q N 0.052 119.754 119.800 -0.164 0.000 2.527 512 Q HA 0.796 5.136 4.340 -0.000 0.000 0.280 512 Q C -0.408 175.530 176.000 -0.103 0.000 0.977 512 Q CA -0.159 55.479 55.803 -0.275 0.000 0.837 512 Q CB 1.104 29.488 28.738 -0.590 0.000 1.454 512 Q HN 2.450 nan 8.270 nan 0.000 0.387 513 G N 0.251 109.056 108.800 0.009 0.000 2.338 513 G HA2 0.557 4.517 3.960 -0.000 0.000 0.295 513 G HA3 0.557 4.517 3.960 -0.000 0.000 0.295 513 G C -1.957 173.007 174.900 0.107 0.000 1.461 513 G CA -0.322 44.751 45.100 -0.045 0.000 0.817 513 G HN 1.129 nan 8.290 nan 0.000 0.556 514 F N -1.405 118.501 119.950 -0.073 0.000 2.662 514 F HA 0.986 5.513 4.527 -0.000 0.000 0.312 514 F C 0.362 175.840 175.800 -0.538 0.000 1.113 514 F CA -0.645 57.140 58.000 -0.360 0.000 0.951 514 F CB 1.561 40.442 39.000 -0.199 0.000 1.344 514 F HN 1.807 nan 8.300 nan 0.000 0.462 515 G N -0.070 108.355 108.800 -0.625 0.000 2.368 515 G HA2 0.292 4.252 3.960 -0.000 0.000 0.269 515 G HA3 0.292 4.252 3.960 -0.000 0.000 0.269 515 G C -2.961 171.576 174.900 -0.605 0.000 1.291 515 G CA -0.222 44.601 45.100 -0.462 0.000 0.903 515 G HN 0.493 nan 8.290 nan 0.000 0.483 516 P HA 0.069 nan 4.420 nan 0.000 0.225 516 P C 0.135 177.360 177.300 -0.125 0.000 1.148 516 P CA 1.360 64.273 63.100 -0.311 0.000 0.779 516 P CB 0.066 31.538 31.700 -0.381 0.000 0.780 517 D N -0.813 119.540 120.400 -0.078 0.000 2.177 517 D HA 0.073 4.712 4.640 -0.000 0.000 0.247 517 D C 1.148 177.490 176.300 0.071 0.000 1.063 517 D CA -0.611 53.392 54.000 0.005 0.000 0.867 517 D CB 0.625 41.435 40.800 0.018 0.000 1.168 517 D HN -0.313 nan 8.370 nan 0.000 0.445 518 N N 2.195 120.961 118.700 0.110 0.000 2.188 518 N HA -0.219 4.521 4.740 -0.000 0.000 0.184 518 N C 1.362 176.983 175.510 0.185 0.000 1.018 518 N CA 1.453 54.640 53.050 0.228 0.000 0.858 518 N CB 0.123 38.711 38.487 0.167 0.000 0.989 518 N HN 0.431 nan 8.380 nan 0.000 0.426 519 Q N -0.401 119.464 119.800 0.108 0.000 2.062 519 Q HA 0.042 4.381 4.340 -0.000 0.000 0.196 519 Q C -0.032 175.999 176.000 0.051 0.000 0.967 519 Q CA 1.514 57.370 55.803 0.088 0.000 0.832 519 Q CB -0.006 28.784 28.738 0.086 0.000 0.899 519 Q HN 0.391 nan 8.270 nan 0.000 0.442 520 T N -0.871 113.704 114.554 0.036 0.000 3.410 520 T HA 0.465 4.815 4.350 -0.000 0.000 0.328 520 T C -2.801 171.897 174.700 -0.004 0.000 1.567 520 T CA -1.862 60.247 62.100 0.015 0.000 1.626 520 T CB 1.020 69.909 68.868 0.034 0.000 0.939 520 T HN 0.050 nan 8.240 nan 0.000 0.656 521 P HA 0.220 nan 4.420 nan 0.000 0.267 521 P C 0.274 177.549 177.300 -0.042 0.000 1.205 521 P CA -0.001 63.056 63.100 -0.072 0.000 0.765 521 P CB 0.981 32.629 31.700 -0.087 0.000 0.828 522 D N 1.523 121.896 120.400 -0.045 0.000 2.158 522 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 522 D C 0.676 177.051 176.300 0.125 0.000 0.995 522 D CA 2.035 56.065 54.000 0.051 0.000 0.846 522 D CB -0.258 40.613 40.800 0.118 0.000 0.941 522 D HN 0.588 nan 8.370 nan 0.000 0.456 523 Y N -2.321 118.019 120.300 0.067 0.000 2.562 523 Y HA 0.638 5.187 4.550 -0.000 0.000 0.345 523 Y C -1.059 174.982 175.900 0.234 0.000 1.045 523 Y CA -1.155 57.017 58.100 0.120 0.000 1.028 523 Y CB 1.279 39.775 38.460 0.061 0.000 1.297 523 Y HN -0.401 nan 8.280 nan 0.000 0.463 524 T N 3.701 118.531 114.554 0.460 0.000 2.879 524 T HA 0.357 4.707 4.350 -0.000 0.000 0.290 524 T C -2.192 172.848 174.700 0.568 0.000 0.993 524 T CA -0.532 61.826 62.100 0.430 0.000 0.975 524 T CB 0.805 69.838 68.868 0.275 0.000 0.981 524 T HN 0.660 nan 8.240 nan 0.000 0.439 525 Y N 3.700 124.236 120.300 0.393 0.000 2.425 525 Y HA 0.798 5.348 4.550 -0.000 0.000 0.344 525 Y C -1.859 174.213 175.900 0.286 0.000 0.969 525 Y CA -1.805 56.508 58.100 0.355 0.000 1.052 525 Y CB 1.283 39.941 38.460 0.331 0.000 1.215 525 Y HN 0.605 nan 8.280 nan 0.000 0.451 526 L N 6.155 127.291 121.223 -0.144 0.000 2.493 526 L HA 0.589 4.929 4.340 -0.000 0.000 0.265 526 L C -1.845 174.945 176.870 -0.134 0.000 0.954 526 L CA -0.588 54.150 54.840 -0.170 0.000 0.844 526 L CB 2.020 44.172 42.059 0.154 0.000 1.302 526 L HN 0.712 nan 8.230 nan 0.000 0.405 527 K N 2.973 123.248 120.400 -0.209 0.000 2.443 527 K HA 0.850 5.170 4.320 -0.000 0.000 0.252 527 K C -1.046 175.613 176.600 0.099 0.000 0.933 527 K CA -0.532 55.753 56.287 -0.002 0.000 0.792 527 K CB 1.971 34.476 32.500 0.009 0.000 1.185 527 K HN 0.858 nan 8.250 nan 0.000 0.425 528 G N 1.798 110.684 108.800 0.144 0.000 2.563 528 G HA2 0.235 4.195 3.960 -0.000 0.000 0.302 528 G HA3 0.235 4.195 3.960 -0.000 0.000 0.302 528 G C -1.699 173.264 174.900 0.104 0.000 1.301 528 G CA -0.416 44.773 45.100 0.148 0.000 0.965 528 G HN 0.596 nan 8.290 nan 0.000 0.480 529 D N 1.375 121.829 120.400 0.091 0.000 2.349 529 D HA 0.233 4.873 4.640 -0.000 0.000 0.232 529 D C 0.891 177.241 176.300 0.084 0.000 1.071 529 D CA -0.529 53.513 54.000 0.070 0.000 0.832 529 D CB 1.354 42.186 40.800 0.054 0.000 1.086 529 D HN 0.389 nan 8.370 nan 0.000 0.504 530 I N 1.074 121.709 120.570 0.109 0.000 3.816 530 I HA 0.158 4.327 4.170 -0.000 0.000 0.334 530 I C 0.997 177.235 176.117 0.202 0.000 1.551 530 I CA -0.544 60.846 61.300 0.149 0.000 1.153 530 I CB 0.315 38.436 38.000 0.200 0.000 1.197 530 I HN 0.020 nan 8.210 nan 0.000 0.439 531 T N 1.609 116.240 114.554 0.128 0.000 2.699 531 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 531 T C 2.061 176.848 174.700 0.145 0.000 1.036 531 T CA 2.033 64.207 62.100 0.123 0.000 1.147 531 T CB -0.117 68.777 68.868 0.043 0.000 0.862 531 T HN 0.643 nan 8.240 nan 0.000 0.446 532 A N 1.051 123.911 122.820 0.067 0.000 2.172 532 A HA 0.347 4.667 4.320 -0.000 0.000 0.216 532 A C 2.522 180.095 177.584 -0.018 0.000 1.154 532 A CA 1.315 53.355 52.037 0.006 0.000 0.701 532 A CB -0.770 18.201 19.000 -0.048 0.000 0.789 532 A HN 0.513 nan 8.150 nan 0.000 0.465 533 A N -1.400 121.421 122.820 0.003 0.000 2.015 533 A HA 0.212 4.532 4.320 -0.000 0.000 0.219 533 A C 0.760 178.166 177.584 -0.297 0.000 1.163 533 A CA 0.575 52.515 52.037 -0.162 0.000 0.646 533 A CB -0.319 18.541 19.000 -0.232 0.000 0.806 533 A HN 0.489 nan 8.150 nan 0.000 0.448 534 Y N -0.215 120.058 120.300 -0.045 0.000 2.488 534 Y HA 0.449 4.999 4.550 -0.000 0.000 0.325 534 Y C 1.276 177.119 175.900 -0.095 0.000 1.204 534 Y CA -0.479 57.587 58.100 -0.057 0.000 1.229 534 Y CB 0.860 39.302 38.460 -0.029 0.000 1.274 534 Y HN 0.178 nan 8.280 nan 0.000 0.493 535 S N 0.333 116.053 115.700 0.033 0.000 2.626 535 S HA 0.281 4.751 4.470 -0.000 0.000 0.257 535 S C 1.210 175.804 174.600 -0.011 0.000 1.288 535 S CA -0.259 57.903 58.200 -0.063 0.000 0.980 535 S CB 0.562 63.659 63.200 -0.172 0.000 0.975 535 S HN 0.855 nan 8.310 nan 0.000 0.577 536 A N 0.393 123.192 122.820 -0.036 0.000 2.259 536 A HA -0.034 4.285 4.320 -0.000 0.000 0.212 536 A C 2.024 179.627 177.584 0.031 0.000 1.178 536 A CA 1.212 53.245 52.037 -0.007 0.000 0.734 536 A CB -1.064 17.926 19.000 -0.017 0.000 0.774 536 A HN 0.932 nan 8.150 nan 0.000 0.481 537 K N 0.013 120.429 120.400 0.026 0.000 2.442 537 K HA -0.016 4.304 4.320 -0.000 0.000 0.198 537 K C 0.345 177.033 176.600 0.146 0.000 1.044 537 K CA 1.235 57.594 56.287 0.119 0.000 0.948 537 K CB -0.802 31.634 32.500 -0.107 0.000 0.762 537 K HN 0.465 nan 8.250 nan 0.000 0.472 538 V N -2.315 117.626 119.914 0.045 0.000 2.914 538 V HA 0.358 4.478 4.120 -0.000 0.000 0.314 538 V C 0.239 176.327 176.094 -0.011 0.000 1.084 538 V CA -1.142 61.154 62.300 -0.007 0.000 0.963 538 V CB 2.047 33.801 31.823 -0.115 0.000 1.025 538 V HN 0.000 nan 8.190 nan 0.000 0.432 539 K N 0.466 120.848 120.400 -0.030 0.000 2.335 539 K HA 0.366 4.686 4.320 -0.000 0.000 0.195 539 K C 0.257 176.837 176.600 -0.034 0.000 1.058 539 K CA 0.529 56.800 56.287 -0.027 0.000 0.988 539 K CB 0.676 33.157 32.500 -0.030 0.000 0.880 539 K HN 0.877 nan 8.250 nan 0.000 0.513 540 E N 0.713 120.878 120.200 -0.059 0.000 2.343 540 E HA 0.231 4.581 4.350 -0.000 0.000 0.286 540 E C -1.917 174.624 176.600 -0.099 0.000 0.915 540 E CA -0.525 55.838 56.400 -0.061 0.000 0.784 540 E CB 2.050 31.715 29.700 -0.059 0.000 1.251 540 E HN -0.211 nan 8.360 nan 0.000 0.407 541 V N 4.514 124.384 119.914 -0.073 0.000 2.488 541 V HA 0.447 4.567 4.120 -0.000 0.000 0.293 541 V C -0.678 175.398 176.094 -0.030 0.000 1.027 541 V CA -0.771 61.475 62.300 -0.089 0.000 0.862 541 V CB 1.666 33.404 31.823 -0.143 0.000 1.008 541 V HN 0.582 nan 8.190 nan 0.000 0.428 542 K N 3.472 123.835 120.400 -0.062 0.000 2.316 542 K HA 0.792 5.111 4.320 -0.000 0.000 0.251 542 K C -0.699 175.847 176.600 -0.090 0.000 0.934 542 K CA -0.933 55.329 56.287 -0.042 0.000 0.802 542 K CB 3.066 35.547 32.500 -0.032 0.000 1.171 542 K HN 0.607 nan 8.250 nan 0.000 0.426 543 R N 1.182 121.632 120.500 -0.083 0.000 2.514 543 R HA 0.329 4.668 4.340 -0.000 0.000 0.296 543 R C -1.424 174.722 176.300 -0.256 0.000 1.012 543 R CA -0.350 55.614 56.100 -0.225 0.000 0.897 543 R CB 1.504 31.631 30.300 -0.288 0.000 1.184 543 R HN 0.600 nan 8.270 nan 0.000 0.440 544 S N 4.558 120.125 115.700 -0.221 0.000 2.449 544 S HA 0.542 5.012 4.470 -0.000 0.000 0.310 544 S C -1.094 173.487 174.600 -0.033 0.000 1.096 544 S CA -0.545 57.672 58.200 0.028 0.000 1.095 544 S CB 0.634 64.057 63.200 0.372 0.000 1.007 544 S HN 0.385 nan 8.310 nan 0.000 0.474 545 F N 1.966 122.089 119.950 0.288 0.000 2.469 545 F HA 0.640 5.167 4.527 -0.000 0.000 0.332 545 F C -0.210 175.855 175.800 0.441 0.000 1.103 545 F CA -1.125 57.052 58.000 0.295 0.000 0.979 545 F CB 0.972 40.110 39.000 0.230 0.000 1.137 545 F HN 0.333 nan 8.300 nan 0.000 0.463 546 L N 4.344 125.922 121.223 0.592 0.000 2.388 546 L HA 0.462 4.802 4.340 -0.000 0.000 0.267 546 L C -1.309 175.795 176.870 0.389 0.000 0.995 546 L CA -0.585 54.562 54.840 0.511 0.000 0.864 546 L CB 0.713 43.003 42.059 0.384 0.000 1.216 546 L HN 0.614 nan 8.230 nan 0.000 0.430 547 F N 5.475 125.585 119.950 0.266 0.000 2.420 547 F HA 0.521 5.048 4.527 -0.000 0.000 0.352 547 F C -0.930 174.964 175.800 0.156 0.000 1.108 547 F CA -0.253 57.849 58.000 0.170 0.000 1.162 547 F CB 0.671 39.747 39.000 0.127 0.000 1.118 547 F HN 0.263 nan 8.300 nan 0.000 0.510 548 L N 6.248 127.129 121.223 -0.569 0.000 2.298 548 L HA 0.279 4.619 4.340 -0.000 0.000 0.284 548 L C -0.383 176.110 176.870 -0.628 0.000 1.013 548 L CA -0.851 53.761 54.840 -0.379 0.000 0.824 548 L CB 1.113 43.033 42.059 -0.232 0.000 1.221 548 L HN 0.580 nan 8.230 nan 0.000 0.418 549 N N 3.981 122.541 118.700 -0.233 0.000 2.415 549 N HA 0.161 4.901 4.740 -0.000 0.000 0.250 549 N C 0.530 175.993 175.510 -0.078 0.000 1.127 549 N CA 0.010 53.003 53.050 -0.095 0.000 0.945 549 N CB 0.904 39.453 38.487 0.103 0.000 1.196 549 N HN 0.603 nan 8.380 nan 0.000 0.499 550 L N 2.657 123.813 121.223 -0.112 0.000 2.552 550 L HA 0.066 4.406 4.340 -0.000 0.000 0.227 550 L C 0.607 177.458 176.870 -0.031 0.000 1.146 550 L CA 0.065 54.856 54.840 -0.081 0.000 0.858 550 L CB -0.279 41.725 42.059 -0.092 0.000 0.969 550 L HN 0.491 nan 8.230 nan 0.000 0.451 551 K N 1.637 122.030 120.400 -0.013 0.000 3.730 551 K HA -0.229 4.090 4.320 -0.000 0.000 0.276 551 K C -0.499 176.109 176.600 0.014 0.000 0.904 551 K CA 0.708 57.000 56.287 0.009 0.000 0.741 551 K CB -1.612 30.899 32.500 0.018 0.000 1.542 551 K HN 0.328 nan 8.250 nan 0.000 0.446 552 D N -0.980 119.430 120.400 0.017 0.000 2.970 552 D HA 0.427 5.067 4.640 -0.000 0.000 0.230 552 D C 0.641 176.958 176.300 0.028 0.000 1.276 552 D CA 0.165 54.187 54.000 0.036 0.000 0.910 552 D CB 1.647 42.490 40.800 0.072 0.000 1.590 552 D HN 0.098 nan 8.370 nan 0.000 0.551 553 A N 4.129 126.968 122.820 0.030 0.000 1.969 553 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 553 A C 1.705 179.301 177.584 0.021 0.000 1.169 553 A CA 1.151 53.205 52.037 0.029 0.000 0.635 553 A CB 0.009 19.026 19.000 0.028 0.000 0.810 553 A HN 0.440 nan 8.150 nan 0.000 0.445 554 K N -1.002 119.401 120.400 0.005 0.000 2.242 554 K HA 0.194 4.514 4.320 -0.000 0.000 0.200 554 K C -0.107 176.472 176.600 -0.036 0.000 1.050 554 K CA 0.639 56.913 56.287 -0.021 0.000 0.981 554 K CB 0.172 32.635 32.500 -0.063 0.000 0.795 554 K HN 0.238 nan 8.250 nan 0.000 0.477 555 V N 3.938 123.840 119.914 -0.021 0.000 2.454 555 V HA 0.128 4.248 4.120 -0.000 0.000 0.267 555 V C -2.030 174.037 176.094 -0.045 0.000 0.993 555 V CA -1.136 61.147 62.300 -0.028 0.000 0.836 555 V CB 1.741 33.594 31.823 0.051 0.000 1.055 555 V HN -0.057 nan 8.190 nan 0.000 0.452 556 P HA 0.003 nan 4.420 nan 0.000 0.220 556 P C 0.462 177.680 177.300 -0.135 0.000 1.148 556 P CA 1.309 64.332 63.100 -0.129 0.000 0.803 556 P CB 0.740 32.308 31.700 -0.220 0.000 0.782 557 A N -1.739 120.972 122.820 -0.183 0.000 2.609 557 A HA 0.735 5.055 4.320 -0.000 0.000 0.291 557 A C -1.364 176.066 177.584 -0.258 0.000 1.096 557 A CA -0.088 51.784 52.037 -0.274 0.000 0.684 557 A CB 1.362 20.225 19.000 -0.229 0.000 1.282 557 A HN 0.191 nan 8.150 nan 0.000 0.412 561 V N 5.438 125.396 119.914 0.073 0.000 2.407 561 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 561 V C -1.005 175.096 176.094 0.012 0.000 1.018 561 V CA -0.593 61.728 62.300 0.035 0.000 0.842 561 V CB 1.799 33.664 31.823 0.069 0.000 0.996 561 V HN 0.501 nan 8.190 nan 0.000 0.426 562 F N 4.320 124.058 119.950 -0.352 0.000 2.449 562 F HA 0.686 5.213 4.527 -0.000 0.000 0.342 562 F C -0.380 175.286 175.800 -0.224 0.000 1.127 562 F CA -0.798 56.931 58.000 -0.451 0.000 0.975 562 F CB 1.223 39.515 39.000 -1.180 0.000 1.146 562 F HN 0.486 nan 8.300 nan 0.000 0.444 563 D N 5.303 125.397 120.400 -0.509 0.000 2.350 563 D HA 0.265 4.905 4.640 -0.000 0.000 0.245 563 D C -1.101 174.899 176.300 -0.501 0.000 1.036 563 D CA -0.543 53.247 54.000 -0.350 0.000 0.848 563 D CB 2.452 43.290 40.800 0.063 0.000 1.307 563 D HN 0.491 nan 8.370 nan 0.000 0.469 564 K N 1.262 121.419 120.400 -0.405 0.000 2.323 564 K HA 0.548 4.868 4.320 -0.000 0.000 0.259 564 K C -1.648 174.755 176.600 -0.329 0.000 0.947 564 K CA -0.660 55.349 56.287 -0.463 0.000 0.819 564 K CB 1.357 33.674 32.500 -0.305 0.000 1.109 564 K HN 0.143 nan 8.250 nan 0.000 0.429 565 V N 4.481 124.161 119.914 -0.390 0.000 2.524 565 V HA 0.292 4.412 4.120 -0.000 0.000 0.297 565 V C -0.929 175.010 176.094 -0.259 0.000 1.035 565 V CA -0.957 61.196 62.300 -0.245 0.000 0.867 565 V CB 1.751 33.498 31.823 -0.127 0.000 1.004 565 V HN 0.517 nan 8.190 nan 0.000 0.426 566 V N 4.244 124.043 119.914 -0.193 0.000 2.350 566 V HA 0.765 4.885 4.120 -0.000 0.000 0.285 566 V C 0.567 176.605 176.094 -0.093 0.000 1.014 566 V CA -0.447 61.764 62.300 -0.149 0.000 0.831 566 V CB 1.582 33.330 31.823 -0.126 0.000 1.000 566 V HN 0.967 nan 8.190 nan 0.000 0.433 567 A N 3.657 126.436 122.820 -0.068 0.000 2.302 567 A HA 0.595 4.915 4.320 -0.000 0.000 0.285 567 A C 1.225 178.792 177.584 -0.028 0.000 1.105 567 A CA -0.202 51.834 52.037 -0.001 0.000 0.816 567 A CB 0.852 19.880 19.000 0.045 0.000 1.067 567 A HN 0.760 nan 8.150 nan 0.000 0.489 568 S N 0.634 116.350 115.700 0.027 0.000 2.436 568 S HA -0.037 4.432 4.470 -0.000 0.000 0.228 568 S C 0.806 175.284 174.600 -0.203 0.000 1.014 568 S CA 0.848 59.028 58.200 -0.034 0.000 0.950 568 S CB -0.168 63.069 63.200 0.062 0.000 0.784 568 S HN 0.769 nan 8.310 nan 0.000 0.504 569 N N 0.812 119.224 118.700 -0.480 0.000 2.354 569 N HA 0.277 5.016 4.740 -0.000 0.000 0.287 569 N C -2.471 172.733 175.510 -0.509 0.000 1.016 569 N CA -2.237 50.367 53.050 -0.743 0.000 0.871 569 N CB 1.927 39.466 38.487 -1.580 0.000 1.299 569 N HN -0.170 nan 8.380 nan 0.000 0.482 570 P HA -0.069 nan 4.420 nan 0.000 0.221 570 P C 0.017 177.239 177.300 -0.130 0.000 1.145 570 P CA 1.108 64.108 63.100 -0.166 0.000 0.795 570 P CB 0.492 32.118 31.700 -0.123 0.000 0.775 571 D N -1.126 119.162 120.400 -0.187 0.000 2.340 571 D HA 0.043 4.682 4.640 -0.000 0.000 0.220 571 D C 0.526 176.903 176.300 0.128 0.000 1.039 571 D CA 0.085 54.054 54.000 -0.052 0.000 0.866 571 D CB -0.395 40.375 40.800 -0.050 0.000 0.913 571 D HN 0.293 nan 8.370 nan 0.000 0.523 572 F N 1.908 121.876 119.950 0.030 0.000 2.487 572 F HA 0.075 4.602 4.527 -0.000 0.000 0.364 572 F C 1.296 177.147 175.800 0.084 0.000 1.126 572 F CA -0.737 57.303 58.000 0.067 0.000 1.135 572 F CB 0.442 39.462 39.000 0.033 0.000 1.127 572 F HN -0.433 nan 8.300 nan 0.000 0.559 573 K N 5.208 125.807 120.400 0.331 0.000 2.447 573 K HA 0.076 4.396 4.320 -0.000 0.000 0.281 573 K C -0.313 176.337 176.600 0.085 0.000 1.031 573 K CA -0.129 56.242 56.287 0.141 0.000 1.019 573 K CB 0.556 33.131 32.500 0.125 0.000 0.918 573 K HN 0.545 nan 8.250 nan 0.000 0.476 574 K N 3.601 123.948 120.400 -0.088 0.000 2.130 574 K HA 0.326 4.646 4.320 -0.000 0.000 0.268 574 K C -0.961 175.565 176.600 -0.124 0.000 0.983 574 K CA -0.528 55.791 56.287 0.053 0.000 0.893 574 K CB 0.882 33.454 32.500 0.120 0.000 1.066 574 K HN 0.324 nan 8.250 nan 0.000 0.450 575 F N 1.168 121.307 119.950 0.316 0.000 2.561 575 F HA 0.273 4.800 4.527 -0.000 0.000 0.313 575 F C -0.700 175.193 175.800 0.154 0.000 1.126 575 F CA -0.831 57.331 58.000 0.271 0.000 0.918 575 F CB 1.178 40.322 39.000 0.241 0.000 1.199 575 F HN 0.542 nan 8.300 nan 0.000 0.444 576 W N 6.167 127.411 121.300 -0.093 0.000 2.429 576 W HA 0.798 5.458 4.660 -0.000 0.000 0.314 576 W C -1.909 174.582 176.519 -0.046 0.000 1.062 576 W CA -0.752 56.380 57.345 -0.354 0.000 1.211 576 W CB 1.027 29.808 29.460 -1.132 0.000 1.305 576 W HN 0.395 nan 8.180 nan 0.000 0.476 577 L N 7.150 128.084 121.223 -0.482 0.000 2.342 577 L HA 0.685 5.025 4.340 -0.000 0.000 0.271 577 L C -1.048 175.416 176.870 -0.677 0.000 1.008 577 L CA -1.494 53.119 54.840 -0.377 0.000 0.818 577 L CB 1.584 43.547 42.059 -0.160 0.000 1.296 577 L HN 0.353 nan 8.230 nan 0.000 0.427 578 L N 2.344 123.353 121.223 -0.357 0.000 2.504 578 L HA 0.425 4.765 4.340 -0.000 0.000 0.265 578 L C -0.833 175.984 176.870 -0.089 0.000 0.975 578 L CA 0.001 54.722 54.840 -0.198 0.000 0.864 578 L CB 1.029 43.098 42.059 0.016 0.000 1.212 578 L HN 0.464 nan 8.230 nan 0.000 0.416 579 H N 2.554 121.598 119.070 -0.044 0.000 2.487 579 H HA 0.747 5.303 4.556 -0.000 0.000 0.333 579 H C -0.295 175.086 175.328 0.088 0.000 1.114 579 H CA -0.005 56.075 56.048 0.053 0.000 1.310 579 H CB 1.830 31.618 29.762 0.043 0.000 1.462 579 H HN 0.701 nan 8.280 nan 0.000 0.516 580 S N 1.751 117.594 115.700 0.239 0.000 2.588 580 S HA 0.330 4.800 4.470 -0.000 0.000 0.275 580 S C 0.757 175.485 174.600 0.213 0.000 1.130 580 S CA -0.847 57.467 58.200 0.190 0.000 0.855 580 S CB 1.148 64.431 63.200 0.138 0.000 1.116 580 S HN 0.530 nan 8.310 nan 0.000 0.472 581 I N 0.835 121.495 120.570 0.150 0.000 2.233 581 I HA 0.019 4.189 4.170 -0.000 0.000 0.243 581 I C 1.118 177.358 176.117 0.205 0.000 1.093 581 I CA 1.070 62.456 61.300 0.143 0.000 1.380 581 I CB -0.147 37.896 38.000 0.071 0.000 1.067 581 I HN 0.691 nan 8.210 nan 0.000 0.413 582 E N 0.670 120.943 120.200 0.121 0.000 2.232 582 E HA 0.214 4.563 4.350 -0.000 0.000 0.265 582 E C -0.379 176.102 176.600 -0.198 0.000 1.001 582 E CA -0.681 55.743 56.400 0.040 0.000 0.870 582 E CB 0.856 30.545 29.700 -0.018 0.000 1.175 582 E HN 0.110 nan 8.360 nan 0.000 0.407 583 Q N 2.648 122.106 119.800 -0.570 0.000 2.271 583 Q HA 0.092 4.432 4.340 -0.000 0.000 0.273 583 Q C -2.060 173.570 176.000 -0.617 0.000 1.051 583 Q CA -1.522 53.540 55.803 -1.235 0.000 0.901 583 Q CB 0.459 28.420 28.738 -1.294 0.000 1.174 583 Q HN 0.199 nan 8.270 nan 0.000 0.385 584 P HA 0.053 nan 4.420 nan 0.000 0.274 584 P C -1.184 175.980 177.300 -0.226 0.000 1.231 584 P CA -0.083 62.878 63.100 -0.231 0.000 0.790 584 P CB 0.845 32.485 31.700 -0.101 0.000 0.951 585 E N 2.182 122.305 120.200 -0.128 0.000 2.134 585 E HA 0.372 4.722 4.350 -0.000 0.000 0.278 585 E C -0.862 175.711 176.600 -0.045 0.000 0.959 585 E CA -0.677 55.666 56.400 -0.095 0.000 0.783 585 E CB 0.526 30.181 29.700 -0.075 0.000 1.095 585 E HN 0.362 nan 8.360 nan 0.000 0.399 586 I N 4.669 125.218 120.570 -0.036 0.000 2.339 586 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 586 I C -0.085 176.029 176.117 -0.005 0.000 0.994 586 I CA -0.539 60.758 61.300 -0.004 0.000 1.191 586 I CB 1.341 39.348 38.000 0.012 0.000 1.343 586 I HN 0.253 nan 8.210 nan 0.000 0.458 587 K N 5.085 125.486 120.400 0.001 0.000 2.656 587 K HA 0.477 4.797 4.320 -0.000 0.000 0.241 587 K C 0.373 176.976 176.600 0.005 0.000 0.967 587 K CA -0.264 56.023 56.287 -0.000 0.000 0.946 587 K CB 1.902 34.399 32.500 -0.004 0.000 1.164 587 K HN 0.877 nan 8.250 nan 0.000 0.459 588 G N 3.454 112.258 108.800 0.006 0.000 2.622 588 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.307 588 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.307 588 G C 0.361 175.267 174.900 0.010 0.000 1.226 588 G CA 0.689 45.793 45.100 0.007 0.000 0.997 588 G HN 0.758 nan 8.290 nan 0.000 0.551 589 N N 1.466 120.169 118.700 0.005 0.000 2.362 589 N HA 0.142 4.882 4.740 -0.000 0.000 0.211 589 N C 0.535 176.049 175.510 0.005 0.000 1.170 589 N CA 0.966 54.017 53.050 0.002 0.000 0.828 589 N CB 0.596 39.078 38.487 -0.009 0.000 1.034 589 N HN 0.808 nan 8.380 nan 0.000 0.475 590 Q N 0.388 120.196 119.800 0.013 0.000 2.340 590 Q HA 0.589 4.929 4.340 -0.000 0.000 0.268 590 Q C -1.373 174.645 176.000 0.031 0.000 1.031 590 Q CA -0.606 55.209 55.803 0.020 0.000 0.804 590 Q CB 1.719 30.464 28.738 0.013 0.000 1.286 590 Q HN 0.252 nan 8.270 nan 0.000 0.448 591 I N 2.405 123.005 120.570 0.050 0.000 2.418 591 I HA 0.372 4.542 4.170 -0.000 0.000 0.287 591 I C -0.673 175.477 176.117 0.055 0.000 1.008 591 I CA -0.492 60.845 61.300 0.061 0.000 1.104 591 I CB 2.252 40.321 38.000 0.115 0.000 1.264 591 I HN 0.471 nan 8.210 nan 0.000 0.438 592 T N 7.022 121.590 114.554 0.025 0.000 2.770 592 T HA 0.634 4.984 4.350 -0.000 0.000 0.283 592 T C -0.224 174.479 174.700 0.005 0.000 0.988 592 T CA -0.277 61.834 62.100 0.018 0.000 0.957 592 T CB 0.958 69.826 68.868 -0.001 0.000 0.930 592 T HN 0.259 nan 8.240 nan 0.000 0.443 593 I N 3.382 123.969 120.570 0.028 0.000 2.406 593 I HA 0.425 4.595 4.170 -0.000 0.000 0.290 593 I C -0.019 176.109 176.117 0.019 0.000 0.999 593 I CA -0.702 60.609 61.300 0.019 0.000 1.124 593 I CB 1.591 39.627 38.000 0.060 0.000 1.289 593 I HN 0.326 nan 8.210 nan 0.000 0.441 594 K N 5.734 126.130 120.400 -0.007 0.000 2.318 594 K HA 0.594 4.914 4.320 -0.000 0.000 0.249 594 K C -0.772 175.820 176.600 -0.013 0.000 0.942 594 K CA -1.055 55.229 56.287 -0.005 0.000 0.808 594 K CB 2.129 34.619 32.500 -0.017 0.000 1.189 594 K HN 0.372 nan 8.250 nan 0.000 0.428 595 R N 1.335 121.824 120.500 -0.019 0.000 2.265 595 R HA 0.186 4.526 4.340 -0.000 0.000 0.319 595 R C 0.150 176.431 176.300 -0.031 0.000 1.006 595 R CA -0.109 55.972 56.100 -0.031 0.000 0.880 595 R CB 1.351 31.614 30.300 -0.061 0.000 1.077 595 R HN 0.856 nan 8.270 nan 0.000 0.454 596 T N -0.826 113.714 114.554 -0.023 0.000 3.337 596 T HA 0.349 4.699 4.350 -0.000 0.000 0.299 596 T C 0.083 174.775 174.700 -0.014 0.000 0.998 596 T CA -0.412 61.676 62.100 -0.020 0.000 0.948 596 T CB 0.378 69.235 68.868 -0.018 0.000 1.170 596 T HN 0.366 nan 8.240 nan 0.000 0.508 597 K N 0.744 121.136 120.400 -0.013 0.000 2.509 597 K HA 0.565 4.885 4.320 -0.000 0.000 0.266 597 K C -0.522 176.076 176.600 -0.003 0.000 0.987 597 K CA -1.106 55.178 56.287 -0.004 0.000 0.868 597 K CB 1.309 33.811 32.500 0.003 0.000 1.421 597 K HN -0.008 nan 8.250 nan 0.000 0.444 598 N N 0.210 118.912 118.700 0.004 0.000 2.714 598 N HA -0.237 4.502 4.740 -0.000 0.000 0.250 598 N C 0.496 176.010 175.510 0.007 0.000 1.117 598 N CA 1.006 54.063 53.050 0.011 0.000 0.719 598 N CB -1.153 37.346 38.487 0.019 0.000 1.081 598 N HN 0.999 nan 8.380 nan 0.000 0.557 599 G N -1.682 107.117 108.800 -0.002 0.000 2.189 599 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.267 599 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.267 599 G C -0.262 174.622 174.900 -0.026 0.000 0.975 599 G CA 0.468 45.563 45.100 -0.008 0.000 0.644 599 G HN 0.522 nan 8.290 nan 0.000 0.537 600 D N 0.176 120.556 120.400 -0.034 0.000 2.382 600 D HA 0.524 5.164 4.640 -0.000 0.000 0.245 600 D C 1.282 177.533 176.300 -0.082 0.000 1.120 600 D CA 0.828 54.783 54.000 -0.075 0.000 0.890 600 D CB 1.373 42.127 40.800 -0.076 0.000 1.201 600 D HN 0.533 nan 8.370 nan 0.000 0.433 601 S N -0.423 115.203 115.700 -0.124 0.000 2.998 601 S HA 0.275 4.745 4.470 -0.000 0.000 0.256 601 S C 0.803 175.344 174.600 -0.097 0.000 0.970 601 S CA -0.439 57.706 58.200 -0.093 0.000 1.238 601 S CB 0.064 63.221 63.200 -0.073 0.000 1.170 601 S HN 0.422 nan 8.310 nan 0.000 0.663 605 V N 4.143 124.105 119.914 0.080 0.000 2.443 605 V HA 0.431 4.551 4.120 -0.000 0.000 0.293 605 V C -0.353 175.791 176.094 0.082 0.000 1.021 605 V CA -0.536 61.805 62.300 0.069 0.000 0.848 605 V CB 1.609 33.457 31.823 0.041 0.000 0.998 605 V HN 0.744 nan 8.190 nan 0.000 0.424 606 N N 2.711 121.473 118.700 0.102 0.000 2.438 606 N HA 0.338 5.078 4.740 -0.000 0.000 0.282 606 N C -0.691 174.848 175.510 0.050 0.000 1.037 606 N CA -0.300 52.812 53.050 0.103 0.000 0.942 606 N CB 1.656 40.255 38.487 0.186 0.000 1.136 606 N HN 0.618 nan 8.380 nan 0.000 0.481 607 T N 1.974 116.540 114.554 0.019 0.000 2.749 607 T HA 0.397 4.747 4.350 -0.000 0.000 0.287 607 T C -0.051 174.620 174.700 -0.048 0.000 0.970 607 T CA -0.538 61.557 62.100 -0.008 0.000 0.980 607 T CB 1.127 69.991 68.868 -0.006 0.000 0.924 607 T HN 0.561 nan 8.240 nan 0.000 0.456 608 A N 4.129 126.913 122.820 -0.061 0.000 2.310 608 A HA 0.544 4.864 4.320 -0.000 0.000 0.300 608 A C 0.934 178.475 177.584 -0.070 0.000 1.269 608 A CA -0.505 51.468 52.037 -0.108 0.000 0.909 608 A CB -0.097 18.842 19.000 -0.102 0.000 1.144 608 A HN 0.980 nan 8.150 nan 0.000 0.540 609 L N 2.178 123.357 121.223 -0.074 0.000 2.286 609 L HA 0.296 4.636 4.340 -0.000 0.000 0.203 609 L C 0.029 176.875 176.870 -0.040 0.000 1.068 609 L CA 0.726 55.536 54.840 -0.050 0.000 0.811 609 L CB -0.026 42.003 42.059 -0.050 0.000 0.989 609 L HN 0.542 nan 8.230 nan 0.000 0.467 610 L N 0.228 121.430 121.223 -0.034 0.000 2.401 610 L HA 0.439 4.779 4.340 -0.000 0.000 0.266 610 L C -2.468 174.374 176.870 -0.047 0.000 0.991 610 L CA -1.984 52.842 54.840 -0.023 0.000 0.818 610 L CB 2.415 44.493 42.059 0.032 0.000 1.321 610 L HN -0.241 nan 8.230 nan 0.000 0.413 611 P HA 0.020 nan 4.420 nan 0.000 0.269 611 P C -1.221 176.054 177.300 -0.041 0.000 1.215 611 P CA -0.280 62.773 63.100 -0.079 0.000 0.780 611 P CB 0.343 31.975 31.700 -0.113 0.000 0.898 612 D N 0.778 121.159 120.400 -0.032 0.000 2.384 612 D HA 0.107 4.746 4.640 -0.000 0.000 0.244 612 D C 1.444 177.734 176.300 -0.018 0.000 1.251 612 D CA -0.363 53.622 54.000 -0.024 0.000 0.961 612 D CB -0.280 40.507 40.800 -0.021 0.000 1.116 612 D HN 0.317 nan 8.370 nan 0.000 0.484 613 A N 0.422 123.234 122.820 -0.013 0.000 1.927 613 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 613 A C 2.181 179.761 177.584 -0.005 0.000 1.185 613 A CA 2.826 54.859 52.037 -0.007 0.000 0.639 613 A CB -1.466 17.530 19.000 -0.005 0.000 0.820 613 A HN 0.791 nan 8.150 nan 0.000 0.451 614 A N -1.402 121.414 122.820 -0.008 0.000 2.216 614 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 614 A C 1.442 179.021 177.584 -0.009 0.000 1.160 614 A CA 1.625 53.658 52.037 -0.007 0.000 0.725 614 A CB -0.408 18.588 19.000 -0.007 0.000 0.784 614 A HN 0.517 nan 8.150 nan 0.000 0.472 615 N N -1.053 117.639 118.700 -0.014 0.000 2.387 615 N HA 0.115 4.855 4.740 -0.000 0.000 0.259 615 N C -0.933 174.564 175.510 -0.021 0.000 1.369 615 N CA 0.256 53.293 53.050 -0.021 0.000 0.867 615 N CB 0.606 39.074 38.487 -0.032 0.000 1.341 615 N HN 0.070 nan 8.380 nan 0.000 0.495 616 S N -0.149 115.549 115.700 -0.004 0.000 2.647 616 S HA 0.514 4.984 4.470 -0.000 0.000 0.300 616 S C -1.542 173.076 174.600 0.030 0.000 1.129 616 S CA -0.671 57.538 58.200 0.014 0.000 1.029 616 S CB 0.280 63.487 63.200 0.011 0.000 1.007 616 S HN 0.170 nan 8.310 nan 0.000 0.484 617 N N 4.291 123.020 118.700 0.048 0.000 2.417 617 N HA 0.481 5.220 4.740 -0.000 0.000 0.274 617 N C -1.039 174.525 175.510 0.090 0.000 0.987 617 N CA -0.270 52.815 53.050 0.058 0.000 0.912 617 N CB 1.298 39.816 38.487 0.052 0.000 1.177 617 N HN 0.618 nan 8.380 nan 0.000 0.490 618 I N 1.565 122.185 120.570 0.083 0.000 2.362 618 I HA 0.335 4.505 4.170 -0.000 0.000 0.289 618 I C -0.030 176.146 176.117 0.099 0.000 0.994 618 I CA -0.301 61.062 61.300 0.106 0.000 1.158 618 I CB 1.578 39.632 38.000 0.090 0.000 1.315 618 I HN 0.162 nan 8.210 nan 0.000 0.451 619 T N 3.409 118.038 114.554 0.125 0.000 2.900 619 T HA 0.443 4.793 4.350 -0.000 0.000 0.295 619 T C -0.393 174.384 174.700 0.128 0.000 1.044 619 T CA -0.753 61.414 62.100 0.112 0.000 0.995 619 T CB 1.933 70.871 68.868 0.117 0.000 1.072 619 T HN 0.652 nan 8.240 nan 0.000 0.473 620 S N 1.576 117.352 115.700 0.127 0.000 2.472 620 S HA 0.812 5.282 4.470 -0.000 0.000 0.303 620 S C -0.852 173.886 174.600 0.229 0.000 1.099 620 S CA -0.743 57.573 58.200 0.193 0.000 1.077 620 S CB 0.544 63.848 63.200 0.175 0.000 1.031 620 S HN 0.471 nan 8.310 nan 0.000 0.487 621 I N 2.347 123.035 120.570 0.196 0.000 2.418 621 I HA 0.826 4.996 4.170 -0.000 0.000 0.287 621 I C 0.629 176.622 176.117 -0.206 0.000 1.008 621 I CA 0.363 61.648 61.300 -0.025 0.000 1.104 621 I CB 1.588 39.523 38.000 -0.107 0.000 1.264 621 I HN 1.150 nan 8.210 nan 0.000 0.438 622 G N 2.859 111.187 108.800 -0.786 0.000 2.335 622 G HA2 0.604 4.564 3.960 -0.000 0.000 0.291 622 G HA3 0.604 4.564 3.960 -0.000 0.000 0.291 622 G C -0.417 173.374 174.900 -1.848 0.000 1.261 622 G CA 0.210 44.394 45.100 -1.527 0.000 0.871 622 G HN 1.179 nan 8.290 nan 0.000 0.491 623 G N -0.887 106.790 108.800 -1.872 0.000 2.782 623 G HA2 0.042 4.002 3.960 -0.000 0.000 0.228 623 G HA3 0.042 4.002 3.960 -0.000 0.000 0.228 623 G C -0.132 174.441 174.900 -0.545 0.000 1.372 623 G CA 0.142 44.736 45.100 -0.842 0.000 0.862 623 G HN 0.958 nan 8.290 nan 0.000 0.547 624 K N 0.746 120.957 120.400 -0.313 0.000 2.472 624 K HA 0.383 4.703 4.320 -0.000 0.000 0.280 624 K C 1.479 177.929 176.600 -0.249 0.000 1.028 624 K CA 1.397 57.536 56.287 -0.247 0.000 1.045 624 K CB 0.347 32.759 32.500 -0.148 0.000 0.902 624 K HN 2.224 nan 8.250 nan 0.000 0.478 625 G N 2.569 111.232 108.800 -0.229 0.000 2.199 625 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 625 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 625 G C 0.563 175.346 174.900 -0.195 0.000 0.982 625 G CA 0.016 45.013 45.100 -0.172 0.000 0.632 625 G HN 0.563 nan 8.290 nan 0.000 0.529 626 K N 0.549 120.746 120.400 -0.339 0.000 2.501 626 K HA 0.148 4.468 4.320 -0.000 0.000 0.204 626 K C 1.342 177.699 176.600 -0.406 0.000 1.067 626 K CA 0.661 56.725 56.287 -0.372 0.000 1.060 626 K CB 0.750 32.892 32.500 -0.596 0.000 0.873 626 K HN 0.499 nan 8.250 nan 0.000 0.540 627 D N 0.188 120.253 120.400 -0.559 0.000 2.178 627 D HA -0.153 4.487 4.640 -0.000 0.000 0.202 627 D C 0.602 176.406 176.300 -0.827 0.000 0.974 627 D CA 0.856 54.367 54.000 -0.815 0.000 0.841 627 D CB -0.293 39.823 40.800 -1.140 0.000 0.953 627 D HN 0.191 nan 8.370 nan 0.000 0.478 628 F N -0.103 119.660 119.950 -0.312 0.000 2.679 628 F HA 0.216 4.743 4.527 -0.000 0.000 0.354 628 F C 0.079 175.763 175.800 -0.194 0.000 1.423 628 F CA -1.427 56.165 58.000 -0.680 0.000 1.141 628 F CB 0.416 39.025 39.000 -0.653 0.000 1.168 628 F HN -0.092 nan 8.300 nan 0.000 0.530 629 W N 2.948 124.183 121.300 -0.108 0.000 2.311 629 W HA 0.512 5.172 4.660 -0.000 0.000 0.310 629 W C -1.356 175.167 176.519 0.006 0.000 1.274 629 W CA -0.323 56.973 57.345 -0.082 0.000 1.215 629 W CB 1.504 30.857 29.460 -0.179 0.000 1.227 629 W HN -0.234 nan 8.180 nan 0.000 0.523 630 V N 8.880 128.520 119.914 -0.458 0.000 2.380 630 V HA 0.107 4.226 4.120 -0.000 0.000 0.268 630 V C -0.394 175.422 176.094 -0.462 0.000 1.008 630 V CA -0.897 61.242 62.300 -0.268 0.000 0.823 630 V CB -0.121 31.826 31.823 0.207 0.000 1.053 630 V HN 0.504 nan 8.190 nan 0.000 0.446 631 F N 3.440 123.029 119.950 -0.601 0.000 2.694 631 F HA -0.127 4.400 4.527 -0.000 0.000 0.215 631 F C 1.521 177.026 175.800 -0.493 0.000 1.032 631 F CA 1.314 59.053 58.000 -0.434 0.000 0.871 631 F CB -1.249 37.581 39.000 -0.282 0.000 0.776 631 F HN 0.843 nan 8.300 nan 0.000 0.850 632 G N -1.051 107.249 108.800 -0.833 0.000 2.284 632 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.201 632 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.201 632 G C 0.020 174.396 174.900 -0.873 0.000 0.998 632 G CA -0.117 44.659 45.100 -0.540 0.000 0.651 632 G HN 0.662 nan 8.290 nan 0.000 0.489 633 T N 0.905 114.720 114.554 -1.232 0.000 2.916 633 T HA 0.516 4.866 4.350 -0.000 0.000 0.298 633 T C -0.891 173.289 174.700 -0.867 0.000 1.031 633 T CA -0.605 60.983 62.100 -0.854 0.000 0.993 633 T CB 1.938 70.392 68.868 -0.689 0.000 1.045 633 T HN 0.274 nan 8.240 nan 0.000 0.454 634 N N 1.879 120.331 118.700 -0.414 0.000 2.422 634 N HA 0.217 4.957 4.740 -0.000 0.000 0.266 634 N C -1.106 174.231 175.510 -0.287 0.000 1.007 634 N CA -0.311 52.660 53.050 -0.133 0.000 0.941 634 N CB 0.687 39.246 38.487 0.121 0.000 1.115 634 N HN 0.580 nan 8.380 nan 0.000 0.492 635 Y N 2.286 122.657 120.300 0.118 0.000 2.736 635 Y HA 0.100 4.650 4.550 -0.000 0.000 0.339 635 Y C 0.790 176.853 175.900 0.271 0.000 1.301 635 Y CA -0.495 57.695 58.100 0.151 0.000 1.676 635 Y CB -0.152 38.380 38.460 0.120 0.000 1.725 635 Y HN 0.304 nan 8.280 nan 0.000 0.466 636 T N 1.672 116.382 114.554 0.260 0.000 2.903 636 T HA -0.140 4.210 4.350 -0.000 0.000 0.299 636 T C 0.419 175.203 174.700 0.139 0.000 1.041 636 T CA 0.512 62.751 62.100 0.232 0.000 1.138 636 T CB -0.016 68.903 68.868 0.085 0.000 1.040 636 T HN 0.512 nan 8.240 nan 0.000 0.524 637 N N 2.077 120.844 118.700 0.112 0.000 2.824 637 N HA 0.108 4.848 4.740 -0.000 0.000 0.224 637 N C -1.630 173.874 175.510 -0.009 0.000 1.418 637 N CA -0.464 52.484 53.050 -0.169 0.000 0.743 637 N CB 0.568 38.495 38.487 -0.935 0.000 1.395 637 N HN 0.404 nan 8.380 nan 0.000 0.548 638 D N 1.274 121.684 120.400 0.017 0.000 2.399 638 D HA 0.205 4.845 4.640 -0.000 0.000 0.241 638 D C -2.174 174.130 176.300 0.006 0.000 1.133 638 D CA -0.807 53.207 54.000 0.023 0.000 0.890 638 D CB 0.666 41.471 40.800 0.007 0.000 1.201 638 D HN 0.316 nan 8.370 nan 0.000 0.432 639 P HA 0.046 nan 4.420 nan 0.000 0.268 639 P C -0.265 177.045 177.300 0.016 0.000 1.205 639 P CA -0.115 63.004 63.100 0.031 0.000 0.771 639 P CB 0.517 32.250 31.700 0.056 0.000 0.858 640 K N 4.476 124.882 120.400 0.011 0.000 2.484 640 K HA 0.065 4.385 4.320 -0.000 0.000 0.280 640 K C -2.053 174.560 176.600 0.021 0.000 1.013 640 K CA -0.954 55.340 56.287 0.012 0.000 1.029 640 K CB -0.719 31.788 32.500 0.011 0.000 0.902 640 K HN 0.386 nan 8.250 nan 0.000 0.481 641 P HA -0.092 nan 4.420 nan 0.000 0.266 641 P C 0.461 177.775 177.300 0.024 0.000 1.193 641 P CA 0.758 63.870 63.100 0.019 0.000 0.770 641 P CB 0.526 32.234 31.700 0.014 0.000 0.836 642 G N 0.831 109.648 108.800 0.027 0.000 2.155 642 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.257 642 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.257 642 G C 0.241 175.164 174.900 0.039 0.000 0.983 642 G CA 0.521 45.639 45.100 0.030 0.000 0.676 642 G HN 0.892 nan 8.290 nan 0.000 0.528 643 T N -3.715 110.867 114.554 0.046 0.000 2.887 643 T HA 0.550 4.899 4.350 -0.000 0.000 0.292 643 T C -0.113 174.638 174.700 0.086 0.000 1.087 643 T CA 0.618 62.756 62.100 0.064 0.000 1.009 643 T CB 2.159 71.062 68.868 0.059 0.000 1.203 643 T HN 0.986 nan 8.240 nan 0.000 0.518 644 D N 0.851 121.327 120.400 0.127 0.000 2.740 644 D HA -0.180 4.460 4.640 -0.000 0.000 0.231 644 D C 1.058 177.419 176.300 0.102 0.000 1.194 644 D CA 1.228 55.329 54.000 0.168 0.000 0.673 644 D CB -0.761 40.179 40.800 0.234 0.000 0.995 644 D HN 0.903 nan 8.370 nan 0.000 0.411 645 E N -0.398 119.850 120.200 0.080 0.000 2.265 645 E HA -0.122 4.227 4.350 -0.000 0.000 0.196 645 E C 1.583 178.210 176.600 0.045 0.000 0.996 645 E CA 1.077 57.510 56.400 0.055 0.000 0.832 645 E CB -0.005 29.723 29.700 0.045 0.000 0.756 645 E HN 0.388 nan 8.360 nan 0.000 0.491 646 A N 0.637 123.485 122.820 0.047 0.000 2.308 646 A HA 0.263 4.582 4.320 -0.000 0.000 0.217 646 A C 1.005 178.598 177.584 0.015 0.000 1.216 646 A CA -0.144 51.910 52.037 0.029 0.000 0.864 646 A CB -0.059 18.959 19.000 0.029 0.000 0.902 646 A HN 0.290 nan 8.150 nan 0.000 0.499 647 L N -0.250 120.987 121.223 0.024 0.000 3.597 647 L HA -0.222 4.118 4.340 -0.000 0.000 0.440 647 L C 0.923 177.769 176.870 -0.041 0.000 1.277 647 L CA 0.965 55.816 54.840 0.020 0.000 0.852 647 L CB -1.651 40.426 42.059 0.029 0.000 1.708 647 L HN 0.616 nan 8.230 nan 0.000 0.885 648 E N -0.266 119.822 120.200 -0.187 0.000 2.478 648 E HA -0.169 4.180 4.350 -0.000 0.000 0.198 648 E C 1.796 178.131 176.600 -0.440 0.000 1.046 648 E CA 0.783 56.931 56.400 -0.421 0.000 0.870 648 E CB -0.021 29.226 29.700 -0.754 0.000 0.818 648 E HN 0.735 nan 8.360 nan 0.000 0.527 649 R N 1.071 121.485 120.500 -0.144 0.000 2.237 649 R HA -0.007 4.333 4.340 -0.000 0.000 0.219 649 R C 0.849 177.348 176.300 0.331 0.000 1.080 649 R CA 0.989 57.241 56.100 0.253 0.000 0.995 649 R CB -0.448 30.101 30.300 0.415 0.000 0.875 649 R HN 0.022 nan 8.270 nan 0.000 0.462 650 G N 0.541 109.440 108.800 0.164 0.000 2.712 650 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 650 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 650 G C -0.367 174.545 174.900 0.019 0.000 1.321 650 G CA -0.028 45.169 45.100 0.161 0.000 0.813 650 G HN 0.287 nan 8.290 nan 0.000 0.599 651 E N -0.864 119.338 120.200 0.003 0.000 2.665 651 E HA 0.217 4.567 4.350 -0.000 0.000 0.225 651 E C -0.358 175.957 176.600 -0.475 0.000 0.922 651 E CA -0.080 56.160 56.400 -0.267 0.000 1.242 651 E CB 0.855 30.452 29.700 -0.172 0.000 1.197 651 E HN 0.470 nan 8.360 nan 0.000 0.581 652 W N 1.116 122.398 121.300 -0.030 0.000 3.107 652 W HA 0.394 5.054 4.660 -0.000 0.000 0.331 652 W C -0.515 175.986 176.519 -0.030 0.000 1.204 652 W CA -0.786 56.537 57.345 -0.036 0.000 1.184 652 W CB 1.326 30.767 29.460 -0.031 0.000 1.421 652 W HN -0.185 nan 8.180 nan 0.000 0.544 653 R N 0.015 120.634 120.500 0.199 0.000 2.739 653 R HA 0.887 5.227 4.340 -0.000 0.000 0.271 653 R C -2.225 174.117 176.300 0.069 0.000 1.010 653 R CA -0.915 55.166 56.100 -0.031 0.000 0.897 653 R CB 1.605 31.658 30.300 -0.412 0.000 1.236 653 R HN 0.255 nan 8.270 nan 0.000 0.466 654 V N 1.282 121.218 119.914 0.036 0.000 2.581 654 V HA 0.401 4.521 4.120 -0.000 0.000 0.303 654 V C -0.521 175.660 176.094 0.146 0.000 1.041 654 V CA -0.668 61.708 62.300 0.127 0.000 0.907 654 V CB 1.816 33.750 31.823 0.185 0.000 0.994 654 V HN 0.773 nan 8.190 nan 0.000 0.442 655 E N 4.527 124.854 120.200 0.212 0.000 2.199 655 E HA 0.563 4.912 4.350 -0.000 0.000 0.265 655 E C -1.278 175.518 176.600 0.326 0.000 0.882 655 E CA -0.456 56.127 56.400 0.305 0.000 0.759 655 E CB 2.470 32.394 29.700 0.373 0.000 1.148 655 E HN 0.517 nan 8.360 nan 0.000 0.412 656 I N 2.541 123.345 120.570 0.391 0.000 2.339 656 I HA 0.331 4.501 4.170 -0.000 0.000 0.290 656 I C -0.340 175.988 176.117 0.351 0.000 0.994 656 I CA -0.391 61.105 61.300 0.327 0.000 1.191 656 I CB 1.658 39.827 38.000 0.282 0.000 1.343 656 I HN 0.380 nan 8.210 nan 0.000 0.458 657 T N 6.107 120.792 114.554 0.218 0.000 2.893 657 T HA 0.408 4.758 4.350 -0.000 0.000 0.293 657 T C -2.651 172.076 174.700 0.044 0.000 1.027 657 T CA -1.502 60.650 62.100 0.086 0.000 0.988 657 T CB 2.153 70.941 68.868 -0.134 0.000 1.043 657 T HN 0.214 nan 8.240 nan 0.000 0.461 658 P HA 0.232 nan 4.420 nan 0.000 0.269 658 P C 0.496 177.776 177.300 -0.033 0.000 1.215 658 P CA -0.306 62.763 63.100 -0.052 0.000 0.780 658 P CB 0.765 32.408 31.700 -0.096 0.000 0.898 659 K N 0.823 121.209 120.400 -0.023 0.000 2.228 659 K HA -0.059 4.261 4.320 -0.000 0.000 0.202 659 K C 0.807 177.397 176.600 -0.017 0.000 1.051 659 K CA 1.007 57.287 56.287 -0.012 0.000 0.960 659 K CB 0.076 32.573 32.500 -0.006 0.000 0.743 659 K HN 0.353 nan 8.250 nan 0.000 0.458 660 K N 0.730 121.113 120.400 -0.028 0.000 2.292 660 K HA 0.353 4.673 4.320 -0.000 0.000 0.257 660 K C -1.337 175.241 176.600 -0.037 0.000 0.940 660 K CA -0.536 55.734 56.287 -0.028 0.000 0.811 660 K CB 1.749 34.233 32.500 -0.027 0.000 1.120 660 K HN -0.077 nan 8.250 nan 0.000 0.428 661 A N 2.782 125.584 122.820 -0.030 0.000 2.451 661 A HA 0.575 4.894 4.320 -0.000 0.000 0.266 661 A C -0.583 176.972 177.584 -0.049 0.000 1.119 661 A CA 0.135 52.150 52.037 -0.036 0.000 0.786 661 A CB 0.005 18.989 19.000 -0.027 0.000 1.061 661 A HN 0.829 nan 8.150 nan 0.000 0.503 662 A N 1.422 124.205 122.820 -0.061 0.000 2.604 662 A HA 0.718 5.038 4.320 -0.000 0.000 0.295 662 A C 0.651 178.184 177.584 -0.085 0.000 1.067 662 A CA 0.063 52.058 52.037 -0.069 0.000 0.683 662 A CB 0.330 19.292 19.000 -0.065 0.000 1.281 662 A HN 1.953 nan 8.150 nan 0.000 0.407 663 A N 0.282 123.049 122.820 -0.088 0.000 1.854 663 A HA 0.155 4.475 4.320 -0.000 0.000 0.214 663 A C 0.896 178.410 177.584 -0.116 0.000 1.192 663 A CA 1.729 53.707 52.037 -0.097 0.000 0.611 663 A CB -0.320 18.626 19.000 -0.089 0.000 0.832 663 A HN 0.804 nan 8.150 nan 0.000 0.442 664 E N 0.620 120.745 120.200 -0.125 0.000 2.156 664 E HA 0.366 4.716 4.350 -0.000 0.000 0.279 664 E C -1.459 174.996 176.600 -0.242 0.000 0.965 664 E CA -0.510 55.771 56.400 -0.198 0.000 0.789 664 E CB 0.561 30.177 29.700 -0.140 0.000 1.098 664 E HN 0.415 nan 8.360 nan 0.000 0.397 665 D N 2.558 122.718 120.400 -0.400 0.000 2.581 665 D HA 0.290 4.930 4.640 -0.000 0.000 0.232 665 D C -1.358 174.527 176.300 -0.691 0.000 1.143 665 D CA -0.389 53.366 54.000 -0.409 0.000 0.881 665 D CB 1.399 41.987 40.800 -0.353 0.000 1.500 665 D HN 0.373 nan 8.370 nan 0.000 0.458 666 Y N 0.144 120.248 120.300 -0.326 0.000 2.442 666 Y HA 0.385 4.935 4.550 -0.000 0.000 0.344 666 Y C -0.705 174.948 175.900 -0.412 0.000 0.976 666 Y CA -0.824 57.083 58.100 -0.322 0.000 1.040 666 Y CB 1.649 40.022 38.460 -0.145 0.000 1.228 666 Y HN 0.214 nan 8.280 nan 0.000 0.451 667 Y N 3.345 123.611 120.300 -0.056 0.000 2.352 667 Y HA 0.605 5.155 4.550 -0.000 0.000 0.339 667 Y C -0.836 175.029 175.900 -0.057 0.000 0.992 667 Y CA -0.983 57.047 58.100 -0.117 0.000 1.100 667 Y CB 1.788 40.135 38.460 -0.189 0.000 1.192 667 Y HN 0.441 nan 8.280 nan 0.000 0.458 668 L N 4.308 125.586 121.223 0.090 0.000 2.441 668 L HA 0.552 4.892 4.340 -0.000 0.000 0.270 668 L C -1.776 175.045 176.870 -0.081 0.000 0.973 668 L CA -0.626 54.262 54.840 0.080 0.000 0.842 668 L CB 1.423 43.552 42.059 0.116 0.000 1.239 668 L HN 0.674 nan 8.230 nan 0.000 0.406 669 N N 3.119 121.758 118.700 -0.103 0.000 2.295 669 N HA 0.725 5.465 4.740 -0.000 0.000 0.293 669 N C -1.652 173.838 175.510 -0.032 0.000 1.040 669 N CA -0.595 52.361 53.050 -0.157 0.000 0.840 669 N CB 2.738 40.998 38.487 -0.378 0.000 1.468 669 N HN 0.274 nan 8.380 nan 0.000 0.478 670 V N 2.951 122.853 119.914 -0.020 0.000 2.350 670 V HA 0.450 4.569 4.120 -0.000 0.000 0.285 670 V C -0.267 175.847 176.094 0.032 0.000 1.014 670 V CA -0.571 61.734 62.300 0.008 0.000 0.831 670 V CB 0.742 32.561 31.823 -0.006 0.000 1.000 670 V HN 0.597 nan 8.190 nan 0.000 0.433 671 I N 4.643 125.242 120.570 0.047 0.000 2.353 671 I HA 0.421 4.591 4.170 -0.000 0.000 0.293 671 I C 0.135 176.277 176.117 0.042 0.000 0.992 671 I CA -0.159 61.187 61.300 0.077 0.000 1.268 671 I CB 1.434 39.503 38.000 0.115 0.000 1.387 671 I HN 0.580 nan 8.210 nan 0.000 0.478 672 Q N 5.973 125.800 119.800 0.045 0.000 2.309 672 Q HA 0.590 4.929 4.340 -0.000 0.000 0.264 672 Q C -1.152 174.861 176.000 0.021 0.000 1.008 672 Q CA -0.894 54.920 55.803 0.019 0.000 0.853 672 Q CB 3.043 31.798 28.738 0.028 0.000 1.314 672 Q HN 0.416 nan 8.270 nan 0.000 0.448 673 I N 1.630 122.183 120.570 -0.028 0.000 2.406 673 I HA 0.763 4.933 4.170 -0.000 0.000 0.290 673 I C -0.280 175.743 176.117 -0.156 0.000 0.999 673 I CA -0.364 60.900 61.300 -0.060 0.000 1.124 673 I CB 1.006 38.947 38.000 -0.097 0.000 1.289 673 I HN 0.750 nan 8.210 nan 0.000 0.441 674 A N 4.896 127.683 122.820 -0.055 0.000 2.557 674 A HA 0.619 4.939 4.320 -0.000 0.000 0.292 674 A C -1.251 176.496 177.584 0.270 0.000 1.139 674 A CA -0.707 51.333 52.037 0.005 0.000 0.665 674 A CB 0.960 19.962 19.000 0.004 0.000 1.285 674 A HN 0.519 nan 8.150 nan 0.000 0.433 675 D N 1.071 121.640 120.400 0.282 0.000 2.399 675 D HA 0.146 4.786 4.640 -0.000 0.000 0.241 675 D C 0.984 177.345 176.300 0.100 0.000 1.133 675 D CA 0.372 54.494 54.000 0.204 0.000 0.890 675 D CB 0.632 41.511 40.800 0.133 0.000 1.201 675 D HN 0.598 nan 8.370 nan 0.000 0.432 676 N N -0.672 118.063 118.700 0.058 0.000 2.550 676 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 676 N C 0.910 176.431 175.510 0.018 0.000 1.110 676 N CA 0.812 53.880 53.050 0.030 0.000 0.912 676 N CB -0.395 38.098 38.487 0.010 0.000 0.968 676 N HN 0.347 nan 8.380 nan 0.000 0.448 677 T N -4.993 109.573 114.554 0.021 0.000 3.081 677 T HA 0.063 4.413 4.350 -0.000 0.000 0.250 677 T C 0.611 175.317 174.700 0.010 0.000 1.100 677 T CA -0.310 61.797 62.100 0.012 0.000 1.038 677 T CB -0.097 68.778 68.868 0.011 0.000 0.962 677 T HN 0.084 nan 8.240 nan 0.000 0.516 678 Q N 1.889 121.698 119.800 0.016 0.000 2.281 678 Q HA 0.178 4.518 4.340 -0.000 0.000 0.267 678 Q C 1.191 177.185 176.000 -0.009 0.000 1.053 678 Q CA -0.034 55.770 55.803 0.003 0.000 0.905 678 Q CB 0.771 29.512 28.738 0.005 0.000 1.195 678 Q HN 0.213 nan 8.270 nan 0.000 0.398 679 Q N 3.072 122.862 119.800 -0.016 0.000 2.062 679 Q HA 0.049 4.389 4.340 -0.000 0.000 0.196 679 Q C -0.268 175.715 176.000 -0.028 0.000 0.967 679 Q CA 1.264 57.056 55.803 -0.018 0.000 0.832 679 Q CB 0.253 28.982 28.738 -0.016 0.000 0.899 679 Q HN 0.498 nan 8.270 nan 0.000 0.442 680 K N 0.880 121.254 120.400 -0.044 0.000 2.265 680 K HA 0.472 4.792 4.320 -0.000 0.000 0.267 680 K C -0.599 175.937 176.600 -0.106 0.000 0.994 680 K CA -0.220 56.030 56.287 -0.062 0.000 0.860 680 K CB 1.488 33.952 32.500 -0.061 0.000 1.099 680 K HN -0.070 nan 8.250 nan 0.000 0.448 681 L N 1.559 122.721 121.223 -0.101 0.000 2.347 681 L HA 0.383 4.723 4.340 -0.000 0.000 0.268 681 L C 0.375 177.147 176.870 -0.163 0.000 1.019 681 L CA -1.164 53.588 54.840 -0.147 0.000 0.806 681 L CB 0.684 42.710 42.059 -0.055 0.000 1.339 681 L HN 0.493 nan 8.230 nan 0.000 0.463 682 H N 0.871 119.933 119.070 -0.014 0.000 2.848 682 H HA 0.034 4.590 4.556 -0.000 0.000 0.341 682 H C -0.389 174.933 175.328 -0.009 0.000 1.060 682 H CA -0.031 56.011 56.048 -0.012 0.000 1.444 682 H CB 0.775 30.526 29.762 -0.018 0.000 1.446 682 H HN 0.481 nan 8.280 nan 0.000 0.583 683 E N 2.479 122.755 120.200 0.127 0.000 2.376 683 E HA 0.139 4.489 4.350 -0.000 0.000 0.266 683 E C -0.897 175.736 176.600 0.054 0.000 1.009 683 E CA -0.412 56.028 56.400 0.068 0.000 0.902 683 E CB 0.539 30.272 29.700 0.055 0.000 0.972 683 E HN 0.208 nan 8.360 nan 0.000 0.439 684 V N 5.869 125.797 119.914 0.025 0.000 2.398 684 V HA 0.316 4.436 4.120 -0.000 0.000 0.286 684 V C -0.152 175.929 176.094 -0.021 0.000 1.026 684 V CA -0.562 61.737 62.300 -0.002 0.000 0.868 684 V CB 1.394 33.214 31.823 -0.004 0.000 0.982 684 V HN 0.647 nan 8.190 nan 0.000 0.443 685 K N 4.138 124.511 120.400 -0.045 0.000 2.316 685 K HA 0.608 4.928 4.320 -0.000 0.000 0.251 685 K C -0.648 175.900 176.600 -0.087 0.000 0.934 685 K CA -0.937 55.316 56.287 -0.058 0.000 0.802 685 K CB 2.828 35.292 32.500 -0.060 0.000 1.171 685 K HN 0.503 nan 8.250 nan 0.000 0.426 686 R N 2.522 122.974 120.500 -0.080 0.000 2.357 686 R HA 0.340 4.680 4.340 -0.000 0.000 0.296 686 R C -0.624 175.606 176.300 -0.117 0.000 1.052 686 R CA -0.399 55.640 56.100 -0.101 0.000 0.988 686 R CB 0.561 30.813 30.300 -0.080 0.000 1.025 686 R HN 0.575 nan 8.270 nan 0.000 0.469 687 I N 4.094 124.562 120.570 -0.169 0.000 2.312 687 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 687 I C -0.627 175.404 176.117 -0.144 0.000 1.008 687 I CA -0.406 60.786 61.300 -0.180 0.000 1.226 687 I CB 1.539 39.333 38.000 -0.343 0.000 1.371 687 I HN 0.417 nan 8.210 nan 0.000 0.468 688 D N 6.652 127.013 120.400 -0.065 0.000 2.473 688 D HA 0.350 4.990 4.640 -0.000 0.000 0.226 688 D C 0.362 176.684 176.300 0.036 0.000 1.089 688 D CA 0.052 54.031 54.000 -0.035 0.000 0.883 688 D CB 1.783 42.568 40.800 -0.025 0.000 1.029 688 D HN 0.661 nan 8.370 nan 0.000 0.517 689 G N 0.520 109.358 108.800 0.063 0.000 2.702 689 G HA2 0.253 4.213 3.960 -0.000 0.000 0.254 689 G HA3 0.253 4.213 3.960 -0.000 0.000 0.254 689 G C -0.654 174.344 174.900 0.164 0.000 1.380 689 G CA -0.459 44.761 45.100 0.199 0.000 1.042 689 G HN 0.252 nan 8.290 nan 0.000 0.557 690 D N -0.802 119.742 120.400 0.239 0.000 2.359 690 D HA 0.311 4.951 4.640 -0.000 0.000 0.230 690 D C 0.625 177.061 176.300 0.227 0.000 1.118 690 D CA -0.261 53.860 54.000 0.202 0.000 0.844 690 D CB 0.465 41.392 40.800 0.213 0.000 1.059 690 D HN 0.492 nan 8.370 nan 0.000 0.493 691 K N 0.480 120.952 120.400 0.120 0.000 3.606 691 K HA -0.192 4.128 4.320 -0.000 0.000 0.289 691 K C 0.073 176.646 176.600 -0.045 0.000 1.221 691 K CA 1.409 57.730 56.287 0.056 0.000 1.028 691 K CB -1.728 30.832 32.500 0.099 0.000 1.299 691 K HN 0.407 nan 8.250 nan 0.000 0.454 692 V N -2.725 117.173 119.914 -0.026 0.000 3.001 692 V HA 0.884 5.004 4.120 -0.000 0.000 0.314 692 V C -0.418 175.586 176.094 -0.151 0.000 1.099 692 V CA -0.783 61.430 62.300 -0.145 0.000 0.989 692 V CB 2.283 33.974 31.823 -0.220 0.000 1.040 692 V HN -0.055 nan 8.190 nan 0.000 0.434 693 V N 1.898 121.659 119.914 -0.255 0.000 2.735 693 V HA 1.031 5.151 4.120 -0.000 0.000 0.310 693 V C 0.263 176.157 176.094 -0.333 0.000 1.061 693 V CA 0.745 62.875 62.300 -0.283 0.000 0.913 693 V CB 1.564 33.206 31.823 -0.302 0.000 1.005 693 V HN 1.637 nan 8.190 nan 0.000 0.428 694 G N 3.836 112.441 108.800 -0.325 0.000 2.870 694 G HA2 0.710 4.670 3.960 -0.000 0.000 0.299 694 G HA3 0.710 4.670 3.960 -0.000 0.000 0.299 694 G C -1.783 172.967 174.900 -0.251 0.000 1.324 694 G CA -0.486 44.410 45.100 -0.340 0.000 0.808 694 G HN 0.950 nan 8.290 nan 0.000 0.535 695 V N -0.048 119.709 119.914 -0.262 0.000 2.789 695 V HA 0.630 4.750 4.120 -0.000 0.000 0.311 695 V C -0.709 175.232 176.094 -0.255 0.000 1.073 695 V CA -0.640 61.544 62.300 -0.193 0.000 0.921 695 V CB 1.806 33.566 31.823 -0.104 0.000 1.009 695 V HN 0.825 nan 8.190 nan 0.000 0.426 696 Q N 4.712 124.386 119.800 -0.211 0.000 2.310 696 Q HA 0.821 5.161 4.340 -0.000 0.000 0.270 696 Q C -1.609 174.319 176.000 -0.120 0.000 1.025 696 Q CA -0.592 55.080 55.803 -0.218 0.000 0.772 696 Q CB 1.994 30.573 28.738 -0.264 0.000 1.253 696 Q HN 0.829 nan 8.270 nan 0.000 0.450 697 L N 1.622 122.782 121.223 -0.104 0.000 2.465 697 L HA 0.978 5.318 4.340 -0.000 0.000 0.257 697 L C 0.016 176.786 176.870 -0.166 0.000 0.988 697 L CA -0.276 54.512 54.840 -0.086 0.000 0.827 697 L CB 1.512 43.525 42.059 -0.076 0.000 1.397 697 L HN 0.820 nan 8.230 nan 0.000 0.410 698 A N 2.496 125.135 122.820 -0.302 0.000 5.395 698 A HA -0.331 3.989 4.320 -0.000 0.000 0.324 698 A C 0.757 178.235 177.584 -0.177 0.000 1.813 698 A CA 1.750 53.483 52.037 -0.506 0.000 0.714 698 A CB -2.048 16.372 19.000 -0.968 0.000 1.374 698 A HN 1.414 nan 8.150 nan 0.000 0.390 699 D N 0.211 120.481 120.400 -0.217 0.000 2.427 699 D HA 0.277 4.917 4.640 -0.000 0.000 0.224 699 D C 0.235 176.530 176.300 -0.008 0.000 1.157 699 D CA -0.065 53.803 54.000 -0.220 0.000 0.828 699 D CB -0.060 40.581 40.800 -0.266 0.000 0.974 699 D HN 0.448 nan 8.370 nan 0.000 0.498 700 R N 0.609 121.109 120.500 -0.001 0.000 2.494 700 R HA 0.595 4.935 4.340 -0.000 0.000 0.305 700 R C -0.363 175.806 176.300 -0.217 0.000 0.959 700 R CA -0.680 55.359 56.100 -0.101 0.000 0.864 700 R CB 1.927 32.150 30.300 -0.129 0.000 1.159 700 R HN 0.106 nan 8.270 nan 0.000 0.446 701 I N 2.144 122.472 120.570 -0.403 0.000 2.466 701 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 701 I C -0.608 175.204 176.117 -0.508 0.000 1.026 701 I CA -1.066 59.894 61.300 -0.566 0.000 1.078 701 I CB 2.389 39.810 38.000 -0.965 0.000 1.249 701 I HN 0.070 nan 8.210 nan 0.000 0.429 702 V N 4.188 123.808 119.914 -0.490 0.000 2.577 702 V HA 0.561 4.681 4.120 -0.000 0.000 0.303 702 V C -0.060 175.611 176.094 -0.705 0.000 1.042 702 V CA -0.491 61.469 62.300 -0.567 0.000 0.872 702 V CB 2.218 33.764 31.823 -0.461 0.000 0.998 702 V HN 0.865 nan 8.190 nan 0.000 0.423 703 T N 1.193 115.246 114.554 -0.834 0.000 2.924 703 T HA 0.875 5.225 4.350 -0.000 0.000 0.291 703 T C -1.002 173.065 174.700 -1.055 0.000 1.045 703 T CA -0.557 61.053 62.100 -0.818 0.000 1.015 703 T CB 1.899 70.384 68.868 -0.639 0.000 1.103 703 T HN 0.207 nan 8.240 nan 0.000 0.496 704 F N 0.015 119.671 119.950 -0.491 0.000 2.613 704 F HA 0.616 5.143 4.527 -0.000 0.000 0.314 704 F C 0.734 176.300 175.800 -0.390 0.000 1.075 704 F CA -1.200 56.543 58.000 -0.428 0.000 0.945 704 F CB 2.206 40.818 39.000 -0.648 0.000 1.310 704 F HN 0.688 nan 8.300 nan 0.000 0.467 705 S N 1.472 117.154 115.700 -0.030 0.000 2.525 705 S HA 0.025 4.495 4.470 -0.000 0.000 0.285 705 S C 1.283 175.897 174.600 0.024 0.000 1.283 705 S CA -0.289 57.882 58.200 -0.048 0.000 1.072 705 S CB 0.494 63.710 63.200 0.025 0.000 0.867 705 S HN 0.772 nan 8.310 nan 0.000 0.492 706 K N 2.460 122.815 120.400 -0.074 0.000 2.218 706 K HA -0.126 4.193 4.320 -0.000 0.000 0.205 706 K C 1.459 177.984 176.600 -0.124 0.000 1.046 706 K CA 1.821 58.035 56.287 -0.123 0.000 0.933 706 K CB -0.282 32.143 32.500 -0.125 0.000 0.728 706 K HN 0.853 nan 8.250 nan 0.000 0.454 707 T N -3.359 111.219 114.554 0.041 0.000 3.134 707 T HA 0.099 4.449 4.350 -0.000 0.000 0.260 707 T C 0.504 175.363 174.700 0.266 0.000 1.027 707 T CA 0.276 62.479 62.100 0.173 0.000 0.913 707 T CB 0.435 69.385 68.868 0.136 0.000 1.046 707 T HN 0.092 nan 8.240 nan 0.000 0.553 708 S N 1.034 116.920 115.700 0.310 0.000 3.473 708 S HA -0.148 4.322 4.470 -0.000 0.000 0.339 708 S C 0.085 174.796 174.600 0.185 0.000 1.148 708 S CA 0.857 59.239 58.200 0.304 0.000 0.969 708 S CB -0.981 62.351 63.200 0.221 0.000 0.936 708 S HN 0.797 nan 8.310 nan 0.000 0.530 709 E N 0.502 120.788 120.200 0.142 0.000 2.281 709 E HA 0.378 4.728 4.350 -0.000 0.000 0.257 709 E C 0.274 176.925 176.600 0.086 0.000 0.971 709 E CA -0.598 55.865 56.400 0.104 0.000 0.839 709 E CB 0.494 30.247 29.700 0.087 0.000 1.238 709 E HN 0.230 nan 8.360 nan 0.000 0.412 710 T N 0.832 115.436 114.554 0.084 0.000 2.902 710 T HA 0.116 4.465 4.350 -0.000 0.000 0.301 710 T C 0.195 174.942 174.700 0.079 0.000 1.012 710 T CA -0.127 62.023 62.100 0.085 0.000 1.151 710 T CB 0.134 69.060 68.868 0.097 0.000 0.946 710 T HN 0.088 nan 8.240 nan 0.000 0.542 711 V N 5.115 125.070 119.914 0.069 0.000 2.368 711 V HA 0.201 4.321 4.120 -0.000 0.000 0.266 711 V C 0.652 176.917 176.094 0.285 0.000 1.045 711 V CA -0.453 61.904 62.300 0.096 0.000 0.899 711 V CB 0.831 32.581 31.823 -0.120 0.000 1.006 711 V HN 0.997 nan 8.190 nan 0.000 0.470 712 D N 3.266 123.798 120.400 0.220 0.000 2.513 712 D HA 0.168 4.808 4.640 -0.000 0.000 0.222 712 D C 0.536 176.905 176.300 0.114 0.000 1.210 712 D CA -0.348 53.753 54.000 0.168 0.000 0.825 712 D CB 0.566 41.425 40.800 0.098 0.000 1.037 712 D HN 0.244 nan 8.370 nan 0.000 0.506 713 R N 0.376 121.001 120.500 0.209 0.000 2.888 713 R HA 0.557 4.897 4.340 -0.000 0.000 0.266 713 R C -2.769 173.740 176.300 0.350 0.000 1.020 713 R CA -2.173 54.035 56.100 0.180 0.000 0.963 713 R CB 0.306 30.697 30.300 0.152 0.000 1.197 713 R HN -0.067 nan 8.270 nan 0.000 0.481 714 P HA 0.077 nan 4.420 nan 0.000 0.266 714 P C -0.798 176.785 177.300 0.471 0.000 1.193 714 P CA 0.359 63.669 63.100 0.350 0.000 0.770 714 P CB 0.246 32.046 31.700 0.167 0.000 0.836 715 F N -0.843 119.306 119.950 0.332 0.000 2.745 715 F HA 0.889 5.416 4.527 -0.000 0.000 0.316 715 F C -0.389 175.620 175.800 0.348 0.000 1.155 715 F CA -0.714 57.446 58.000 0.267 0.000 0.937 715 F CB 1.082 40.202 39.000 0.200 0.000 1.361 715 F HN 0.546 nan 8.300 nan 0.000 0.472 716 G N -0.000 109.014 108.800 0.357 0.000 2.550 716 G HA2 0.702 4.662 3.960 -0.000 0.000 0.293 716 G HA3 0.702 4.662 3.960 -0.000 0.000 0.293 716 G C -2.074 173.055 174.900 0.381 0.000 1.402 716 G CA -0.349 44.870 45.100 0.198 0.000 0.784 716 G HN 1.583 nan 8.290 nan 0.000 0.482 717 F N -2.315 117.795 119.950 0.267 0.000 2.829 717 F HA 0.780 5.307 4.527 -0.000 0.000 0.319 717 F C -0.666 175.257 175.800 0.204 0.000 1.153 717 F CA -1.273 56.842 58.000 0.192 0.000 0.912 717 F CB 0.891 39.985 39.000 0.157 0.000 1.292 717 F HN 0.531 nan 8.300 nan 0.000 0.447 718 S N 0.775 116.700 115.700 0.376 0.000 2.565 718 S HA 0.820 5.290 4.470 -0.000 0.000 0.290 718 S C -1.028 173.763 174.600 0.318 0.000 1.150 718 S CA -0.721 57.639 58.200 0.266 0.000 1.058 718 S CB 1.902 65.188 63.200 0.143 0.000 1.032 718 S HN 0.570 nan 8.310 nan 0.000 0.510 719 V N 3.085 123.155 119.914 0.259 0.000 2.531 719 V HA 0.502 4.622 4.120 -0.000 0.000 0.301 719 V C -0.768 175.353 176.094 0.046 0.000 1.034 719 V CA -0.593 61.769 62.300 0.104 0.000 0.865 719 V CB 1.809 33.692 31.823 0.101 0.000 0.995 719 V HN 0.660 nan 8.190 nan 0.000 0.424 720 V N 3.658 123.555 119.914 -0.027 0.000 2.487 720 V HA 1.020 5.139 4.120 -0.000 0.000 0.298 720 V C 0.390 176.505 176.094 0.035 0.000 1.028 720 V CA 0.167 62.480 62.300 0.023 0.000 0.860 720 V CB 1.297 33.136 31.823 0.027 0.000 0.991 720 V HN 1.213 nan 8.190 nan 0.000 0.427 721 G N 3.805 112.697 108.800 0.154 0.000 2.352 721 G HA2 0.340 4.300 3.960 -0.000 0.000 0.305 721 G HA3 0.340 4.300 3.960 -0.000 0.000 0.305 721 G C -1.671 173.460 174.900 0.384 0.000 1.537 721 G CA -1.099 44.182 45.100 0.301 0.000 0.959 721 G HN 0.523 nan 8.290 nan 0.000 0.668 722 K N 0.102 120.643 120.400 0.236 0.000 2.185 722 K HA 0.792 5.112 4.320 -0.000 0.000 0.271 722 K C 0.926 177.514 176.600 -0.019 0.000 1.013 722 K CA 1.200 57.557 56.287 0.116 0.000 0.943 722 K CB 1.120 33.654 32.500 0.056 0.000 0.998 722 K HN 2.218 nan 8.250 nan 0.000 0.468 723 G N 0.494 109.272 108.800 -0.037 0.000 2.660 723 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.247 723 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.247 723 G C -0.943 173.849 174.900 -0.180 0.000 1.328 723 G CA -0.744 44.260 45.100 -0.160 0.000 0.884 723 G HN 0.538 nan 8.290 nan 0.000 0.531 724 T N 0.985 115.421 114.554 -0.198 0.000 2.799 724 T HA 0.617 4.967 4.350 -0.000 0.000 0.286 724 T C -0.289 174.262 174.700 -0.248 0.000 0.973 724 T CA 0.159 62.223 62.100 -0.060 0.000 1.035 724 T CB 0.761 69.648 68.868 0.032 0.000 0.932 724 T HN 0.472 nan 8.240 nan 0.000 0.469 725 F N 1.735 121.750 119.950 0.110 0.000 2.470 725 F HA 0.488 5.015 4.527 -0.000 0.000 0.329 725 F C 0.829 176.629 175.800 -0.000 0.000 1.072 725 F CA -1.125 56.843 58.000 -0.053 0.000 0.989 725 F CB 1.375 40.194 39.000 -0.302 0.000 1.193 725 F HN 0.231 nan 8.300 nan 0.000 0.481 726 K N 2.594 123.020 120.400 0.043 0.000 2.263 726 K HA 0.436 4.756 4.320 -0.000 0.000 0.272 726 K C -1.467 175.016 176.600 -0.194 0.000 1.033 726 K CA -0.430 55.865 56.287 0.012 0.000 0.884 726 K CB 0.873 33.457 32.500 0.139 0.000 1.107 726 K HN 0.292 nan 8.250 nan 0.000 0.460 727 F N 2.001 121.606 119.950 -0.574 0.000 2.404 727 F HA 0.382 4.909 4.527 -0.000 0.000 0.339 727 F C 0.473 175.923 175.800 -0.583 0.000 1.105 727 F CA -0.744 56.839 58.000 -0.694 0.000 1.087 727 F CB 1.036 39.248 39.000 -1.314 0.000 1.143 727 F HN 0.115 nan 8.300 nan 0.000 0.491 731 D N -0.013 120.336 120.400 -0.086 0.000 2.945 731 D HA -0.111 4.529 4.640 -0.000 0.000 0.225 731 D C -0.091 176.177 176.300 -0.053 0.000 1.158 731 D CA 0.843 54.842 54.000 -0.001 0.000 0.805 731 D CB -1.436 39.381 40.800 0.029 0.000 1.098 731 D HN 0.690 nan 8.370 nan 0.000 0.426 732 L N 0.199 121.377 121.223 -0.074 0.000 2.334 732 L HA 0.382 4.722 4.340 -0.000 0.000 0.277 732 L C 0.865 177.869 176.870 0.223 0.000 1.075 732 L CA -1.094 53.747 54.840 0.001 0.000 0.804 732 L CB 1.014 42.911 42.059 -0.270 0.000 1.174 732 L HN -0.041 nan 8.230 nan 0.000 0.438 733 L N 5.449 126.922 121.223 0.417 0.000 2.534 733 L HA 0.215 4.555 4.340 -0.000 0.000 0.271 733 L C -2.191 174.931 176.870 0.420 0.000 1.178 733 L CA -0.834 54.211 54.840 0.342 0.000 0.907 733 L CB 0.106 42.322 42.059 0.261 0.000 1.164 733 L HN 0.285 nan 8.230 nan 0.000 0.482 734 P HA 0.395 nan 4.420 nan 0.000 0.265 734 P C -0.037 177.378 177.300 0.192 0.000 1.193 734 P CA 0.371 63.609 63.100 0.231 0.000 0.765 734 P CB 0.744 32.530 31.700 0.143 0.000 0.823 735 G N 1.544 110.472 108.800 0.212 0.000 2.339 735 G HA2 0.089 4.048 3.960 -0.000 0.000 0.275 735 G HA3 0.089 4.048 3.960 -0.000 0.000 0.275 735 G C -1.339 173.652 174.900 0.152 0.000 1.323 735 G CA -0.665 44.500 45.100 0.109 0.000 0.927 735 G HN 0.352 nan 8.290 nan 0.000 0.486 736 T N 1.218 115.786 114.554 0.024 0.000 2.738 736 T HA 0.525 4.874 4.350 -0.000 0.000 0.298 736 T C -0.759 173.922 174.700 -0.032 0.000 0.962 736 T CA 0.233 62.367 62.100 0.057 0.000 0.972 736 T CB 0.429 69.308 68.868 0.019 0.000 0.928 736 T HN 0.411 nan 8.240 nan 0.000 0.474 737 W N 1.887 123.224 121.300 0.062 0.000 2.509 737 W HA 0.556 5.216 4.660 -0.000 0.000 0.351 737 W C 0.408 176.947 176.519 0.034 0.000 1.107 737 W CA -0.812 56.580 57.345 0.079 0.000 1.264 737 W CB 1.031 30.578 29.460 0.144 0.000 1.312 737 W HN 0.454 nan 8.180 nan 0.000 0.608 738 Q N 1.288 121.246 119.800 0.264 0.000 2.337 738 Q HA 0.581 4.921 4.340 -0.000 0.000 0.270 738 Q C -1.638 174.357 176.000 -0.008 0.000 1.043 738 Q CA -0.563 55.292 55.803 0.086 0.000 0.794 738 Q CB 1.856 30.596 28.738 0.004 0.000 1.281 738 Q HN 0.359 nan 8.270 nan 0.000 0.446 739 V N 4.971 124.797 119.914 -0.147 0.000 2.427 739 V HA 0.473 4.593 4.120 -0.000 0.000 0.286 739 V C -0.558 175.272 176.094 -0.440 0.000 1.034 739 V CA -0.630 61.403 62.300 -0.445 0.000 0.893 739 V CB 1.257 32.755 31.823 -0.542 0.000 0.982 739 V HN 0.684 nan 8.190 nan 0.000 0.452 740 L N 4.644 125.540 121.223 -0.545 0.000 2.362 740 L HA 0.634 4.974 4.340 -0.000 0.000 0.271 740 L C -0.260 176.240 176.870 -0.615 0.000 1.002 740 L CA -0.248 54.310 54.840 -0.471 0.000 0.818 740 L CB 1.878 43.728 42.059 -0.349 0.000 1.298 740 L HN 0.560 nan 8.230 nan 0.000 0.420 741 K N 1.880 121.919 120.400 -0.603 0.000 2.345 741 K HA 0.357 4.677 4.320 -0.000 0.000 0.255 741 K C -1.060 175.266 176.600 -0.457 0.000 0.934 741 K CA -0.457 55.385 56.287 -0.742 0.000 0.801 741 K CB 1.087 33.052 32.500 -0.891 0.000 1.137 741 K HN 0.623 nan 8.250 nan 0.000 0.424 742 D N 3.330 123.498 120.400 -0.387 0.000 2.708 742 D HA -0.187 4.453 4.640 -0.000 0.000 0.236 742 D C 0.673 176.850 176.300 -0.205 0.000 1.146 742 D CA 1.767 55.620 54.000 -0.244 0.000 0.662 742 D CB -1.314 39.365 40.800 -0.202 0.000 1.059 742 D HN 1.076 nan 8.370 nan 0.000 0.428 743 G N -0.885 107.785 108.800 -0.216 0.000 2.184 743 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.264 743 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.264 743 G C 0.308 175.103 174.900 -0.176 0.000 0.975 743 G CA 0.955 45.951 45.100 -0.173 0.000 0.642 743 G HN 0.530 nan 8.290 nan 0.000 0.536 744 K N -0.291 119.983 120.400 -0.211 0.000 2.203 744 K HA 0.649 4.969 4.320 -0.000 0.000 0.251 744 K C 0.330 176.785 176.600 -0.243 0.000 0.944 744 K CA -1.137 55.031 56.287 -0.199 0.000 0.829 744 K CB 1.971 34.359 32.500 -0.186 0.000 1.125 744 K HN 0.141 nan 8.250 nan 0.000 0.430 745 I N 3.405 123.850 120.570 -0.208 0.000 2.742 745 I HA -0.172 3.998 4.170 -0.000 0.000 0.287 745 I C 0.983 176.928 176.117 -0.288 0.000 1.186 745 I CA 0.252 61.417 61.300 -0.225 0.000 1.417 745 I CB 0.380 38.283 38.000 -0.160 0.000 1.377 745 I HN 0.565 nan 8.210 nan 0.000 0.556 746 L N 8.533 129.524 121.223 -0.386 0.000 2.262 746 L HA 0.201 4.541 4.340 -0.000 0.000 0.197 746 L C -0.380 176.060 176.870 -0.717 0.000 1.073 746 L CA 0.986 55.480 54.840 -0.576 0.000 0.800 746 L CB 0.108 41.762 42.059 -0.675 0.000 0.987 746 L HN 0.403 nan 8.230 nan 0.000 0.470 747 Y N 0.256 120.402 120.300 -0.257 0.000 2.332 747 Y HA 0.357 4.907 4.550 -0.000 0.000 0.326 747 Y C -1.642 174.167 175.900 -0.151 0.000 0.978 747 Y CA -1.981 56.001 58.100 -0.198 0.000 1.205 747 Y CB 1.051 39.358 38.460 -0.254 0.000 1.131 747 Y HN 0.026 nan 8.280 nan 0.000 0.462 748 P HA -0.090 nan 4.420 nan 0.000 0.220 748 P C -0.057 177.259 177.300 0.027 0.000 1.148 748 P CA 1.046 64.146 63.100 0.000 0.000 0.803 748 P CB 0.684 32.382 31.700 -0.004 0.000 0.782 749 A N -0.569 122.287 122.820 0.059 0.000 2.500 749 A HA 0.629 4.948 4.320 -0.000 0.000 0.291 749 A C -1.349 176.273 177.584 0.065 0.000 1.048 749 A CA -0.495 51.580 52.037 0.063 0.000 0.791 749 A CB 0.435 19.461 19.000 0.044 0.000 1.309 749 A HN -0.008 nan 8.150 nan 0.000 0.397 750 L N 1.229 122.509 121.223 0.095 0.000 2.388 750 L HA 0.639 4.979 4.340 -0.000 0.000 0.264 750 L C -0.015 176.955 176.870 0.166 0.000 0.998 750 L CA -0.785 54.103 54.840 0.080 0.000 0.817 750 L CB 2.639 44.709 42.059 0.018 0.000 1.338 750 L HN 0.617 nan 8.230 nan 0.000 0.414 751 S N 1.589 117.372 115.700 0.139 0.000 2.422 751 S HA 0.586 5.056 4.470 -0.000 0.000 0.308 751 S C 0.064 174.773 174.600 0.182 0.000 1.097 751 S CA -0.610 57.692 58.200 0.171 0.000 1.099 751 S CB 1.489 64.757 63.200 0.114 0.000 0.976 751 S HN 0.629 nan 8.310 nan 0.000 0.471 752 A N 4.482 127.462 122.820 0.267 0.000 2.409 752 A HA 0.388 4.708 4.320 -0.000 0.000 0.267 752 A C 0.311 177.993 177.584 0.164 0.000 1.127 752 A CA -0.369 51.785 52.037 0.195 0.000 0.795 752 A CB 0.166 19.305 19.000 0.231 0.000 1.061 752 A HN 0.756 nan 8.150 nan 0.000 0.502 753 K N 1.669 122.137 120.400 0.113 0.000 2.090 753 K HA 0.417 4.737 4.320 -0.000 0.000 0.249 753 K C 1.520 178.172 176.600 0.087 0.000 0.995 753 K CA 0.099 56.440 56.287 0.090 0.000 0.914 753 K CB 0.980 33.517 32.500 0.063 0.000 1.057 753 K HN 0.680 nan 8.250 nan 0.000 0.462 754 G N 0.709 109.552 108.800 0.071 0.000 2.418 754 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.217 754 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.217 754 G C 0.776 175.714 174.900 0.062 0.000 1.158 754 G CA 0.828 45.969 45.100 0.068 0.000 0.771 754 G HN 0.573 nan 8.290 nan 0.000 0.545 755 D N 0.541 120.965 120.400 0.041 0.000 2.183 755 D HA -0.035 4.605 4.640 -0.000 0.000 0.203 755 D C 2.068 178.396 176.300 0.047 0.000 0.969 755 D CA 1.438 55.449 54.000 0.018 0.000 0.842 755 D CB -0.027 40.754 40.800 -0.031 0.000 0.957 755 D HN 0.507 nan 8.370 nan 0.000 0.484 756 D N -1.636 118.819 120.400 0.092 0.000 2.423 756 D HA 0.106 4.746 4.640 -0.000 0.000 0.212 756 D C 1.392 177.810 176.300 0.196 0.000 1.060 756 D CA 0.711 54.831 54.000 0.200 0.000 0.872 756 D CB -0.622 40.301 40.800 0.205 0.000 1.012 756 D HN 0.071 nan 8.370 nan 0.000 0.503 757 G N 0.573 109.445 108.800 0.120 0.000 2.366 757 G HA2 0.061 4.021 3.960 -0.000 0.000 0.299 757 G HA3 0.061 4.021 3.960 -0.000 0.000 0.299 757 G C 0.257 175.157 174.900 0.000 0.000 1.020 757 G CA 0.513 45.669 45.100 0.092 0.000 1.026 757 G HN 0.885 nan 8.290 nan 0.000 0.512 758 A N -0.583 122.219 122.820 -0.029 0.000 2.469 758 A HA 0.901 5.221 4.320 -0.000 0.000 0.299 758 A C -0.347 177.182 177.584 -0.090 0.000 1.098 758 A CA -0.786 51.164 52.037 -0.145 0.000 0.737 758 A CB 1.498 20.358 19.000 -0.233 0.000 1.312 758 A HN 0.740 nan 8.150 nan 0.000 0.414 759 L N 1.160 122.304 121.223 -0.133 0.000 2.329 759 L HA 0.548 4.888 4.340 -0.000 0.000 0.279 759 L C -1.098 175.809 176.870 0.061 0.000 1.014 759 L CA -0.675 54.171 54.840 0.011 0.000 0.814 759 L CB 1.793 43.879 42.059 0.044 0.000 1.257 759 L HN 0.818 nan 8.230 nan 0.000 0.424 760 Y N 4.401 124.720 120.300 0.031 0.000 2.425 760 Y HA 0.709 5.259 4.550 -0.000 0.000 0.344 760 Y C -0.987 174.993 175.900 0.134 0.000 0.969 760 Y CA -1.100 56.993 58.100 -0.012 0.000 1.052 760 Y CB 1.523 40.003 38.460 0.033 0.000 1.215 760 Y HN 0.432 nan 8.280 nan 0.000 0.451 761 F N 1.385 120.814 119.950 -0.868 0.000 2.807 761 F HA 0.597 5.123 4.527 -0.000 0.000 0.316 761 F C -1.930 173.581 175.800 -0.481 0.000 1.162 761 F CA -1.285 56.319 58.000 -0.660 0.000 0.910 761 F CB 1.128 39.841 39.000 -0.478 0.000 1.314 761 F HN 0.399 nan 8.300 nan 0.000 0.454 762 E N 0.248 120.477 120.200 0.048 0.000 2.207 762 E HA 0.724 5.074 4.350 -0.000 0.000 0.270 762 E C -0.513 176.343 176.600 0.427 0.000 0.927 762 E CA -1.162 55.356 56.400 0.197 0.000 0.799 762 E CB 2.240 32.045 29.700 0.175 0.000 1.172 762 E HN 1.048 nan 8.360 nan 0.000 0.404 763 G N 0.548 109.640 108.800 0.486 0.000 2.623 763 G HA2 0.430 4.390 3.960 -0.000 0.000 0.290 763 G HA3 0.430 4.390 3.960 -0.000 0.000 0.290 763 G C -0.669 174.600 174.900 0.616 0.000 1.437 763 G CA -0.607 44.783 45.100 0.484 0.000 0.798 763 G HN 0.457 nan 8.290 nan 0.000 0.488 764 T N -2.024 112.814 114.554 0.474 0.000 2.910 764 T HA 0.671 5.021 4.350 -0.000 0.000 0.279 764 T C 0.477 175.491 174.700 0.524 0.000 0.989 764 T CA -0.405 61.972 62.100 0.462 0.000 0.968 764 T CB 1.381 70.397 68.868 0.247 0.000 1.135 764 T HN 0.887 nan 8.240 nan 0.000 0.562 765 E N -0.397 120.055 120.200 0.419 0.000 2.418 765 E HA 0.486 4.836 4.350 -0.000 0.000 0.261 765 E C 0.417 177.136 176.600 0.198 0.000 1.070 765 E CA -0.748 55.842 56.400 0.316 0.000 0.931 765 E CB -0.070 29.766 29.700 0.227 0.000 0.954 765 E HN 1.143 nan 8.360 nan 0.000 0.439 766 G N 0.736 109.636 108.800 0.167 0.000 2.341 766 G HA2 0.170 4.129 3.960 -0.000 0.000 0.293 766 G HA3 0.170 4.129 3.960 -0.000 0.000 0.293 766 G C -1.216 173.671 174.900 -0.022 0.000 1.298 766 G CA -0.633 44.449 45.100 -0.031 0.000 0.868 766 G HN 0.507 nan 8.290 nan 0.000 0.540 767 T N 1.197 115.653 114.554 -0.165 0.000 2.733 767 T HA 0.562 4.911 4.350 -0.000 0.000 0.294 767 T C -1.006 173.502 174.700 -0.319 0.000 0.956 767 T CA 0.196 62.220 62.100 -0.127 0.000 0.987 767 T CB 0.461 69.271 68.868 -0.097 0.000 0.920 767 T HN 0.340 nan 8.240 nan 0.000 0.470 768 Y N 2.691 122.792 120.300 -0.331 0.000 2.323 768 Y HA 0.583 5.133 4.550 -0.000 0.000 0.331 768 Y C 0.875 176.439 175.900 -0.561 0.000 1.092 768 Y CA -0.847 56.919 58.100 -0.557 0.000 1.150 768 Y CB 0.982 39.005 38.460 -0.729 0.000 1.200 768 Y HN 0.241 nan 8.280 nan 0.000 0.472 769 R N 2.675 122.848 120.500 -0.544 0.000 2.750 769 R HA 0.537 4.877 4.340 -0.000 0.000 0.281 769 R C -1.919 173.953 176.300 -0.713 0.000 0.972 769 R CA -1.284 54.560 56.100 -0.426 0.000 0.912 769 R CB 1.765 31.916 30.300 -0.248 0.000 1.187 769 R HN 0.580 nan 8.270 nan 0.000 0.464 770 F N 2.032 121.775 119.950 -0.346 0.000 2.539 770 F HA 0.515 5.042 4.527 -0.000 0.000 0.318 770 F C -0.149 175.706 175.800 0.092 0.000 1.135 770 F CA -0.635 57.228 58.000 -0.228 0.000 0.915 770 F CB 1.584 40.121 39.000 -0.771 0.000 1.176 770 F HN 0.045 nan 8.300 nan 0.000 0.440 771 L N 3.563 124.972 121.223 0.310 0.000 2.362 771 L HA 0.784 5.124 4.340 -0.000 0.000 0.271 771 L C -0.340 176.474 176.870 -0.093 0.000 1.002 771 L CA -0.923 53.987 54.840 0.118 0.000 0.818 771 L CB 2.282 44.342 42.059 0.002 0.000 1.298 771 L HN 0.562 nan 8.230 nan 0.000 0.420 772 R N 0.000 120.241 120.500 -0.431 0.000 2.786 772 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 772 R CA 0.000 55.568 56.100 -0.888 0.000 0.921 772 R CB 0.000 29.259 30.300 -1.735 0.000 0.687 772 R HN 0.000 nan 8.270 nan 0.000 0.535