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 3fdy_1_A DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWGCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFMK DATA SEQUENCE PGLCLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPF 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.312 176.300 0.020 0.000 1.140 43 M CA 0.000 55.350 55.300 0.083 0.000 0.988 43 M CB 0.000 32.403 32.600 -0.328 0.000 1.302 44 D N 2.944 123.376 120.400 0.054 0.000 2.388 44 D HA 0.392 5.032 4.640 0.001 0.000 0.254 44 D C 0.734 176.971 176.300 -0.104 0.000 1.111 44 D CA -0.418 53.500 54.000 -0.136 0.000 0.993 44 D CB 1.383 41.928 40.800 -0.427 0.000 1.118 44 D HN 0.535 nan 8.370 nan 0.000 0.502 45 I N -0.301 120.199 120.570 -0.116 0.000 2.852 45 I HA -0.030 4.141 4.170 0.001 0.000 0.264 45 I C 0.634 176.733 176.117 -0.029 0.000 1.179 45 I CA 0.722 62.009 61.300 -0.023 0.000 1.480 45 I CB -0.357 37.650 38.000 0.012 0.000 1.111 45 I HN 0.167 nan 8.210 nan 0.000 0.441 46 K N 0.504 120.775 120.400 -0.215 0.000 2.358 46 K HA 0.399 4.719 4.320 0.001 0.000 0.260 46 K C -1.536 174.792 176.600 -0.453 0.000 0.956 46 K CA -0.279 55.898 56.287 -0.184 0.000 0.834 46 K CB 0.771 33.210 32.500 -0.103 0.000 1.102 46 K HN -0.173 nan 8.250 nan 0.000 0.431 47 Y N 1.252 121.538 120.300 -0.023 0.000 2.598 47 Y HA 0.278 4.829 4.550 0.000 0.000 0.340 47 Y C 0.875 176.742 175.900 -0.055 0.000 1.038 47 Y CA -0.727 57.348 58.100 -0.041 0.000 1.100 47 Y CB 1.687 40.119 38.460 -0.046 0.000 1.281 47 Y HN 0.606 nan 8.280 nan 0.000 0.488 48 D N 0.075 120.550 120.400 0.125 0.000 2.103 48 D HA 0.017 4.657 4.640 0.001 0.000 0.199 48 D C -0.280 176.003 176.300 -0.028 0.000 0.978 48 D CA 1.443 55.498 54.000 0.092 0.000 0.829 48 D CB 0.223 41.149 40.800 0.211 0.000 0.981 48 D HN 0.121 nan 8.370 nan 0.000 0.464 49 V N 1.023 120.909 119.914 -0.047 0.000 2.656 49 V HA 0.400 4.521 4.120 0.001 0.000 0.307 49 V C -0.279 175.706 176.094 -0.182 0.000 1.051 49 V CA -1.025 61.153 62.300 -0.205 0.000 0.893 49 V CB 2.468 34.131 31.823 -0.267 0.000 0.999 49 V HN -0.009 nan 8.190 nan 0.000 0.426 50 V N 2.654 122.417 119.914 -0.252 0.000 2.555 50 V HA 0.747 4.867 4.120 0.001 0.000 0.302 50 V C -0.674 175.350 176.094 -0.118 0.000 1.038 50 V CA -0.630 61.578 62.300 -0.153 0.000 0.887 50 V CB 1.682 33.481 31.823 -0.041 0.000 0.991 50 V HN 0.683 nan 8.190 nan 0.000 0.434 51 I N 4.277 124.804 120.570 -0.072 0.000 2.389 51 I HA 0.477 4.647 4.170 0.001 0.000 0.288 51 I C -0.504 175.625 176.117 0.021 0.000 0.999 51 I CA -0.853 60.396 61.300 -0.084 0.000 1.129 51 I CB 2.187 40.122 38.000 -0.108 0.000 1.288 51 I HN 0.460 nan 8.210 nan 0.000 0.444 52 V N 5.761 125.675 119.914 -0.001 0.000 2.364 52 V HA 0.776 4.896 4.120 0.001 0.000 0.272 52 V C 0.514 176.607 176.094 -0.001 0.000 1.036 52 V CA -0.284 62.036 62.300 0.034 0.000 0.880 52 V CB 0.554 32.373 31.823 -0.008 0.000 0.991 52 V HN 1.056 nan 8.190 nan 0.000 0.460 53 G N 4.078 112.892 108.800 0.023 0.000 2.907 53 G HA2 -0.036 3.924 3.960 0.001 0.000 0.686 53 G HA3 -0.036 3.924 3.960 0.001 0.000 0.686 53 G C -0.026 174.883 174.900 0.016 0.000 1.115 53 G CA -0.215 44.891 45.100 0.011 0.000 0.760 53 G HN 1.424 nan 8.290 nan 0.000 0.620 54 S N 1.255 116.969 115.700 0.022 0.000 2.651 54 S HA 0.618 5.088 4.470 0.001 0.000 0.246 54 S C 1.254 175.865 174.600 0.018 0.000 1.039 54 S CA 0.737 58.958 58.200 0.035 0.000 1.013 54 S CB 0.554 63.785 63.200 0.052 0.000 0.861 54 S HN 1.961 nan 8.310 nan 0.000 0.485 55 G N 2.563 111.363 108.800 -0.000 0.000 2.553 55 G HA2 0.423 4.383 3.960 0.001 0.000 0.278 55 G HA3 0.423 4.383 3.960 0.001 0.000 0.278 55 G C -1.228 173.650 174.900 -0.037 0.000 1.349 55 G CA -1.353 43.728 45.100 -0.032 0.000 1.037 55 G HN 0.244 nan 8.290 nan 0.000 0.508 56 P HA -0.053 nan 4.420 nan 0.000 0.220 56 P C 1.620 178.865 177.300 -0.091 0.000 1.148 56 P CA 0.742 63.795 63.100 -0.079 0.000 0.803 56 P CB 0.215 31.881 31.700 -0.057 0.000 0.782 57 I N -0.025 120.524 120.570 -0.035 0.000 2.400 57 I HA 0.006 4.176 4.170 0.001 0.000 0.248 57 I C 2.699 178.876 176.117 0.099 0.000 1.109 57 I CA 1.357 62.669 61.300 0.020 0.000 1.425 57 I CB -2.245 35.792 38.000 0.061 0.000 1.094 57 I HN -0.013 nan 8.210 nan 0.000 0.425 58 G N 0.509 109.343 108.800 0.057 0.000 2.440 58 G HA2 -0.257 3.703 3.960 0.001 0.000 0.218 58 G HA3 -0.257 3.703 3.960 0.001 0.000 0.218 58 G C 1.759 176.658 174.900 -0.001 0.000 1.154 58 G CA 1.133 46.257 45.100 0.039 0.000 0.767 58 G HN 0.412 nan 8.290 nan 0.000 0.552 59 C N 0.665 119.943 119.300 -0.037 0.000 2.419 59 C HA 0.020 4.480 4.460 0.001 0.000 0.283 59 C C 3.175 178.050 174.990 -0.192 0.000 1.373 59 C CA 1.389 60.348 59.018 -0.099 0.000 1.781 59 C CB -1.038 26.696 27.740 -0.011 0.000 1.886 59 C HN 0.458 nan 8.230 nan 0.000 0.520 60 T N -0.141 114.322 114.554 -0.151 0.000 2.737 60 T HA -0.133 4.218 4.350 0.001 0.000 0.265 60 T C 1.476 176.025 174.700 -0.251 0.000 1.038 60 T CA 1.477 63.451 62.100 -0.211 0.000 1.144 60 T CB -0.406 68.349 68.868 -0.188 0.000 0.866 60 T HN 0.548 nan 8.240 nan 0.000 0.434 61 Y N 1.595 121.758 120.300 -0.229 0.000 2.165 61 Y HA -0.092 4.458 4.550 0.001 0.000 0.286 61 Y C 2.757 178.445 175.900 -0.353 0.000 1.155 61 Y CA 1.024 58.969 58.100 -0.259 0.000 1.164 61 Y CB -0.633 37.691 38.460 -0.226 0.000 0.978 61 Y HN 0.202 nan 8.280 nan 0.000 0.513 62 A N 0.124 122.764 122.820 -0.299 0.000 1.855 62 A HA -0.212 4.108 4.320 0.001 0.000 0.215 62 A C 2.301 179.321 177.584 -0.940 0.000 1.191 62 A CA 1.677 53.305 52.037 -0.682 0.000 0.613 62 A CB -0.776 17.623 19.000 -1.003 0.000 0.829 62 A HN 0.397 nan 8.150 nan 0.000 0.442 63 R N -0.437 119.551 120.500 -0.854 0.000 2.112 63 R HA -0.203 4.138 4.340 0.001 0.000 0.242 63 R C 1.991 178.076 176.300 -0.358 0.000 1.137 63 R CA 1.991 57.764 56.100 -0.545 0.000 0.944 63 R CB -0.283 29.746 30.300 -0.452 0.000 0.857 63 R HN 0.537 nan 8.270 nan 0.000 0.435 64 E N 0.367 120.385 120.200 -0.302 0.000 2.072 64 E HA -0.145 4.205 4.350 0.001 0.000 0.191 64 E C 2.145 178.674 176.600 -0.118 0.000 0.985 64 E CA 1.110 57.403 56.400 -0.178 0.000 0.801 64 E CB -0.114 29.479 29.700 -0.179 0.000 0.750 64 E HN 0.428 nan 8.360 nan 0.000 0.452 65 L N 0.194 121.322 121.223 -0.158 0.000 2.209 65 L HA -0.032 4.309 4.340 0.001 0.000 0.207 65 L C 2.456 179.360 176.870 0.058 0.000 1.094 65 L CA 0.227 55.031 54.840 -0.059 0.000 0.790 65 L CB -0.175 41.734 42.059 -0.250 0.000 0.932 65 L HN -0.069 nan 8.230 nan 0.000 0.447 66 V N 0.429 120.285 119.914 -0.097 0.000 2.427 66 V HA -0.145 3.975 4.120 0.001 0.000 0.248 66 V C 2.590 178.694 176.094 0.017 0.000 1.051 66 V CA 1.946 64.227 62.300 -0.032 0.000 1.048 66 V CB -1.038 30.699 31.823 -0.144 0.000 0.666 66 V HN 0.545 nan 8.190 nan 0.000 0.456 67 G N -0.335 108.452 108.800 -0.022 0.000 2.422 67 G HA2 -0.121 3.839 3.960 0.001 0.000 0.218 67 G HA3 -0.121 3.839 3.960 0.001 0.000 0.218 67 G C 1.536 176.453 174.900 0.028 0.000 1.140 67 G CA 0.766 45.869 45.100 0.006 0.000 0.775 67 G HN 0.608 nan 8.290 nan 0.000 0.545 68 A N -0.219 122.639 122.820 0.063 0.000 2.235 68 A HA 0.450 4.770 4.320 0.001 0.000 0.208 68 A C 1.962 179.529 177.584 -0.027 0.000 1.172 68 A CA 1.314 53.393 52.037 0.070 0.000 0.786 68 A CB -0.529 18.592 19.000 0.202 0.000 0.804 68 A HN 1.583 nan 8.150 nan 0.000 0.479 69 G N -2.407 106.395 108.800 0.004 0.000 2.132 69 G HA2 -0.270 3.690 3.960 0.001 0.000 0.234 69 G HA3 -0.270 3.690 3.960 0.001 0.000 0.234 69 G C -0.083 174.743 174.900 -0.123 0.000 0.989 69 G CA 0.141 45.210 45.100 -0.052 0.000 0.676 69 G HN 0.423 nan 8.290 nan 0.000 0.522 70 Y N 0.218 120.504 120.300 -0.023 0.000 2.336 70 Y HA 0.426 4.976 4.550 0.000 0.000 0.331 70 Y C 1.132 177.007 175.900 -0.041 0.000 1.211 70 Y CA -0.032 58.050 58.100 -0.030 0.000 1.346 70 Y CB 0.769 39.207 38.460 -0.038 0.000 1.271 70 Y HN 0.080 nan 8.280 nan 0.000 0.538 71 K N 2.761 123.226 120.400 0.108 0.000 2.315 71 K HA 0.359 4.679 4.320 0.001 0.000 0.291 71 K C -1.534 175.159 176.600 0.154 0.000 1.074 71 K CA -0.100 56.227 56.287 0.067 0.000 0.936 71 K CB -0.011 32.485 32.500 -0.006 0.000 1.049 71 K HN 0.480 nan 8.250 nan 0.000 0.471 72 V N 3.461 123.451 119.914 0.127 0.000 2.459 72 V HA 0.523 4.644 4.120 0.001 0.000 0.295 72 V C -0.302 175.686 176.094 -0.178 0.000 1.029 72 V CA -0.914 61.412 62.300 0.044 0.000 0.874 72 V CB 1.428 33.325 31.823 0.124 0.000 0.985 72 V HN 0.875 nan 8.190 nan 0.000 0.438 73 A N 6.039 128.591 122.820 -0.448 0.000 2.330 73 A HA 0.902 5.222 4.320 0.001 0.000 0.327 73 A C -0.583 176.627 177.584 -0.623 0.000 1.155 73 A CA -0.577 50.955 52.037 -0.842 0.000 0.803 73 A CB 1.331 19.494 19.000 -1.394 0.000 1.208 73 A HN 0.892 nan 8.150 nan 0.000 0.477 74 M N 2.770 121.930 119.600 -0.733 0.000 2.321 74 M HA 0.702 5.182 4.480 0.001 0.000 0.315 74 M C -2.077 173.875 176.300 -0.581 0.000 1.052 74 M CA -0.436 54.621 55.300 -0.405 0.000 0.936 74 M CB 0.974 33.529 32.600 -0.075 0.000 1.639 74 M HN 0.603 nan 8.290 nan 0.000 0.433 75 F N 2.397 122.317 119.950 -0.049 0.000 2.480 75 F HA 0.559 5.087 4.527 0.000 0.000 0.329 75 F C -0.017 175.761 175.800 -0.036 0.000 1.091 75 F CA -0.498 57.490 58.000 -0.020 0.000 0.972 75 F CB 1.326 40.294 39.000 -0.054 0.000 1.150 75 F HN 0.449 nan 8.300 nan 0.000 0.467 76 D N 2.648 123.130 120.400 0.137 0.000 2.896 76 D HA 0.221 4.862 4.640 0.001 0.000 0.241 76 D C 0.488 176.799 176.300 0.017 0.000 1.188 76 D CA -0.345 53.685 54.000 0.050 0.000 0.879 76 D CB 2.445 43.260 40.800 0.024 0.000 1.553 76 D HN 0.634 nan 8.370 nan 0.000 0.515 77 I N 1.972 122.507 120.570 -0.059 0.000 2.493 77 I HA 0.015 4.185 4.170 0.001 0.000 0.254 77 I C 1.181 177.241 176.117 -0.095 0.000 1.160 77 I CA 0.831 62.046 61.300 -0.141 0.000 1.445 77 I CB 0.172 37.975 38.000 -0.328 0.000 1.086 77 I HN 0.344 nan 8.210 nan 0.000 0.433 78 G N -0.078 108.691 108.800 -0.051 0.000 2.535 78 G HA2 0.364 4.324 3.960 0.001 0.000 0.303 78 G HA3 0.364 4.324 3.960 0.001 0.000 0.303 78 G C -0.813 174.098 174.900 0.017 0.000 1.237 78 G CA -0.439 44.659 45.100 -0.003 0.000 0.986 78 G HN 0.282 nan 8.290 nan 0.000 0.494 79 E N -1.249 118.970 120.200 0.031 0.000 2.249 79 E HA 0.359 4.709 4.350 0.001 0.000 0.263 79 E C -0.340 176.280 176.600 0.033 0.000 0.950 79 E CA -0.711 55.708 56.400 0.032 0.000 0.827 79 E CB 2.405 32.127 29.700 0.037 0.000 1.220 79 E HN 0.270 nan 8.360 nan 0.000 0.411 80 I N 2.481 123.069 120.570 0.029 0.000 2.598 80 I HA -0.020 4.150 4.170 0.001 0.000 0.284 80 I C -0.035 176.108 176.117 0.043 0.000 1.140 80 I CA 0.681 62.001 61.300 0.033 0.000 1.420 80 I CB 0.095 38.108 38.000 0.023 0.000 1.387 80 I HN 0.560 nan 8.210 nan 0.000 0.553 81 D N 2.611 123.044 120.400 0.055 0.000 3.279 81 D HA 0.027 4.667 4.640 0.001 0.000 0.336 81 D C -0.091 176.262 176.300 0.089 0.000 1.512 81 D CA -0.314 53.726 54.000 0.066 0.000 0.754 81 D CB -0.125 40.713 40.800 0.062 0.000 1.278 81 D HN 0.231 nan 8.370 nan 0.000 0.553 82 S N -0.237 115.518 115.700 0.092 0.000 2.663 82 S HA 0.635 5.105 4.470 0.001 0.000 0.243 82 S C 0.942 175.612 174.600 0.116 0.000 1.009 82 S CA 0.028 58.301 58.200 0.121 0.000 0.988 82 S CB 0.844 64.118 63.200 0.123 0.000 0.896 82 S HN 0.877 nan 8.310 nan 0.000 0.502 83 G N 1.631 110.486 108.800 0.092 0.000 2.568 83 G HA2 -0.234 3.726 3.960 0.001 0.000 0.222 83 G HA3 -0.234 3.726 3.960 0.001 0.000 0.222 83 G C 0.368 175.303 174.900 0.059 0.000 1.321 83 G CA -0.195 44.952 45.100 0.079 0.000 0.893 83 G HN 0.287 nan 8.290 nan 0.000 0.569 84 L N 0.343 121.596 121.223 0.050 0.000 2.201 84 L HA 0.091 4.431 4.340 0.001 0.000 0.212 84 L C 1.534 178.419 176.870 0.025 0.000 1.105 84 L CA 1.203 56.062 54.840 0.031 0.000 0.775 84 L CB -0.349 41.725 42.059 0.024 0.000 0.913 84 L HN 0.317 nan 8.230 nan 0.000 0.440 85 K N 1.668 122.093 120.400 0.042 0.000 2.250 85 K HA 0.338 4.659 4.320 0.001 0.000 0.280 85 K C -0.373 176.253 176.600 0.043 0.000 1.098 85 K CA -0.231 56.078 56.287 0.036 0.000 0.916 85 K CB 0.838 33.375 32.500 0.060 0.000 1.209 85 K HN 0.084 nan 8.250 nan 0.000 0.461 86 I N 1.883 122.462 120.570 0.015 0.000 2.598 86 I HA -0.039 4.131 4.170 0.001 0.000 0.284 86 I C 1.335 177.473 176.117 0.034 0.000 1.140 86 I CA 0.700 62.013 61.300 0.022 0.000 1.420 86 I CB 0.443 38.445 38.000 0.003 0.000 1.387 86 I HN 0.947 nan 8.210 nan 0.000 0.553 87 G N 4.266 113.098 108.800 0.054 0.000 2.143 87 G HA2 -0.195 3.766 3.960 0.001 0.000 0.248 87 G HA3 -0.195 3.766 3.960 0.001 0.000 0.248 87 G C 0.296 175.251 174.900 0.091 0.000 0.991 87 G CA 0.064 45.201 45.100 0.062 0.000 0.689 87 G HN 0.969 nan 8.290 nan 0.000 0.522 88 A N -0.417 122.474 122.820 0.119 0.000 2.272 88 A HA 0.641 4.961 4.320 0.001 0.000 0.275 88 A C 0.580 178.304 177.584 0.233 0.000 1.096 88 A CA -0.304 51.842 52.037 0.182 0.000 0.822 88 A CB 0.324 19.430 19.000 0.176 0.000 1.088 88 A HN 0.625 nan 8.150 nan 0.000 0.495 89 H N 0.229 119.440 119.070 0.236 0.000 2.803 89 H HA 0.128 4.685 4.556 0.001 0.000 0.330 89 H C 0.590 176.065 175.328 0.245 0.000 1.057 89 H CA 0.689 56.895 56.048 0.264 0.000 1.458 89 H CB 0.890 30.825 29.762 0.287 0.000 1.470 89 H HN 0.662 nan 8.280 nan 0.000 0.560 90 K N 3.381 124.034 120.400 0.420 0.000 2.432 90 K HA -0.068 4.253 4.320 0.001 0.000 0.196 90 K C 1.598 178.503 176.600 0.509 0.000 1.038 90 K CA 0.447 57.027 56.287 0.488 0.000 0.986 90 K CB 0.398 33.183 32.500 0.476 0.000 0.782 90 K HN 0.397 nan 8.250 nan 0.000 0.485 91 K N 0.919 121.493 120.400 0.289 0.000 2.486 91 K HA 0.009 4.330 4.320 0.001 0.000 0.194 91 K C 0.319 176.970 176.600 0.084 0.000 1.033 91 K CA 0.410 56.541 56.287 -0.261 0.000 1.004 91 K CB 0.257 32.209 32.500 -0.912 0.000 0.798 91 K HN -0.002 nan 8.250 nan 0.000 0.495 92 N N 1.465 120.312 118.700 0.245 0.000 2.466 92 N HA -0.013 4.727 4.740 0.001 0.000 0.251 92 N C -0.793 174.983 175.510 0.443 0.000 1.164 92 N CA 0.217 53.440 53.050 0.287 0.000 0.888 92 N CB 0.703 39.387 38.487 0.329 0.000 1.177 92 N HN 0.223 nan 8.380 nan 0.000 0.498 93 T N -4.329 110.464 114.554 0.397 0.000 2.918 93 T HA 0.360 4.710 4.350 0.001 0.000 0.286 93 T C 1.446 176.370 174.700 0.373 0.000 1.026 93 T CA -0.755 61.557 62.100 0.354 0.000 1.031 93 T CB 1.622 70.644 68.868 0.257 0.000 1.046 93 T HN -0.195 nan 8.240 nan 0.000 0.479 94 V N 1.178 121.263 119.914 0.284 0.000 2.407 94 V HA -0.079 4.041 4.120 0.001 0.000 0.248 94 V C 2.793 178.978 176.094 0.150 0.000 1.055 94 V CA 2.233 64.686 62.300 0.256 0.000 1.049 94 V CB -0.977 30.916 31.823 0.118 0.000 0.662 94 V HN 1.035 nan 8.190 nan 0.000 0.455 95 E N -0.294 119.933 120.200 0.044 0.000 2.106 95 E HA -0.202 4.148 4.350 0.001 0.000 0.192 95 E C 1.968 178.512 176.600 -0.094 0.000 0.984 95 E CA 1.564 57.920 56.400 -0.073 0.000 0.806 95 E CB -0.282 29.311 29.700 -0.179 0.000 0.750 95 E HN 0.679 nan 8.360 nan 0.000 0.458 96 Y N 0.642 121.031 120.300 0.148 0.000 2.395 96 Y HA 0.007 4.557 4.550 0.001 0.000 0.293 96 Y C 2.085 178.031 175.900 0.076 0.000 1.123 96 Y CA 0.980 59.160 58.100 0.133 0.000 1.227 96 Y CB -0.063 38.491 38.460 0.158 0.000 1.012 96 Y HN 0.128 nan 8.280 nan 0.000 0.552 97 Q N 0.187 120.107 119.800 0.201 0.000 2.369 97 Q HA -0.092 4.249 4.340 0.001 0.000 0.206 97 Q C 1.219 177.296 176.000 0.129 0.000 0.963 97 Q CA 0.952 56.825 55.803 0.117 0.000 0.894 97 Q CB -0.051 28.721 28.738 0.056 0.000 0.965 97 Q HN 0.514 nan 8.270 nan 0.000 0.475 98 K N 0.194 120.670 120.400 0.127 0.000 2.358 98 K HA 0.130 4.450 4.320 0.001 0.000 0.197 98 K C 0.297 176.954 176.600 0.096 0.000 1.025 98 K CA 0.051 56.396 56.287 0.097 0.000 1.104 98 K CB 0.652 33.197 32.500 0.073 0.000 0.855 98 K HN 0.024 nan 8.250 nan 0.000 0.531 99 N N 1.331 120.112 118.700 0.135 0.000 2.673 99 N HA 0.060 4.801 4.740 0.001 0.000 0.265 99 N C 0.071 175.725 175.510 0.240 0.000 1.709 99 N CA 0.030 53.173 53.050 0.156 0.000 0.792 99 N CB 0.958 39.521 38.487 0.128 0.000 1.286 99 N HN 0.025 nan 8.380 nan 0.000 0.506 100 I N 0.559 121.248 120.570 0.199 0.000 2.394 100 I HA -0.154 4.016 4.170 0.001 0.000 0.251 100 I C 0.882 177.130 176.117 0.219 0.000 1.136 100 I CA 1.419 62.841 61.300 0.204 0.000 1.425 100 I CB 0.202 38.276 38.000 0.123 0.000 1.079 100 I HN 0.125 nan 8.210 nan 0.000 0.425 101 D N 1.021 121.544 120.400 0.206 0.000 2.309 101 D HA -0.161 4.480 4.640 0.001 0.000 0.212 101 D C 1.953 178.352 176.300 0.165 0.000 0.968 101 D CA 0.642 54.757 54.000 0.193 0.000 0.882 101 D CB -0.001 40.940 40.800 0.234 0.000 0.918 101 D HN 0.329 nan 8.370 nan 0.000 0.503 102 K N -0.007 120.529 120.400 0.226 0.000 2.288 102 K HA -0.081 4.240 4.320 0.001 0.000 0.201 102 K C 1.825 178.525 176.600 0.165 0.000 1.048 102 K CA 0.009 56.433 56.287 0.228 0.000 0.956 102 K CB -0.371 32.330 32.500 0.335 0.000 0.746 102 K HN 0.197 nan 8.250 nan 0.000 0.461 103 F N 1.792 121.724 119.950 -0.030 0.000 2.250 103 F HA -0.206 4.322 4.527 0.001 0.000 0.301 103 F C 1.926 177.613 175.800 -0.189 0.000 1.077 103 F CA 0.730 58.553 58.000 -0.295 0.000 1.348 103 F CB -0.142 38.660 39.000 -0.329 0.000 1.040 103 F HN -0.288 nan 8.300 nan 0.000 0.509 104 V N 0.293 120.148 119.914 -0.098 0.000 2.453 104 V HA -0.383 3.737 4.120 0.001 0.000 0.252 104 V C 1.818 177.747 176.094 -0.274 0.000 1.068 104 V CA 2.405 64.593 62.300 -0.187 0.000 1.070 104 V CB -1.056 30.662 31.823 -0.175 0.000 0.664 104 V HN 0.395 nan 8.190 nan 0.000 0.461 105 N N -0.115 118.444 118.700 -0.235 0.000 2.216 105 N HA -0.113 4.627 4.740 0.001 0.000 0.183 105 N C 1.697 177.034 175.510 -0.288 0.000 1.017 105 N CA 1.213 54.142 53.050 -0.202 0.000 0.861 105 N CB -0.266 38.163 38.487 -0.097 0.000 0.986 105 N HN 0.326 nan 8.380 nan 0.000 0.428 106 V N 1.453 121.082 119.914 -0.475 0.000 2.287 106 V HA -0.240 3.880 4.120 0.001 0.000 0.248 106 V C 2.051 177.815 176.094 -0.550 0.000 1.053 106 V CA 1.497 63.445 62.300 -0.587 0.000 1.027 106 V CB -0.575 30.587 31.823 -1.102 0.000 0.646 106 V HN 0.312 nan 8.190 nan 0.000 0.447 107 I N -0.286 119.887 120.570 -0.662 0.000 2.142 107 I HA -0.328 3.843 4.170 0.001 0.000 0.240 107 I C 2.712 178.584 176.117 -0.408 0.000 1.078 107 I CA 1.818 62.770 61.300 -0.581 0.000 1.343 107 I CB -0.440 37.278 38.000 -0.469 0.000 1.046 107 I HN 0.346 nan 8.210 nan 0.000 0.405 108 Q N 0.373 119.991 119.800 -0.304 0.000 2.167 108 Q HA -0.107 4.233 4.340 0.001 0.000 0.202 108 Q C 2.240 178.142 176.000 -0.163 0.000 0.970 108 Q CA 1.343 57.020 55.803 -0.211 0.000 0.855 108 Q CB -0.355 28.276 28.738 -0.179 0.000 0.911 108 Q HN 0.635 nan 8.270 nan 0.000 0.438 109 G N 1.177 109.877 108.800 -0.167 0.000 2.559 109 G HA2 -0.219 3.742 3.960 0.001 0.000 0.216 109 G HA3 -0.219 3.742 3.960 0.001 0.000 0.216 109 G C 0.959 175.810 174.900 -0.082 0.000 1.126 109 G CA 0.571 45.605 45.100 -0.109 0.000 0.778 109 G HN 0.470 nan 8.290 nan 0.000 0.543 110 Q N -0.750 118.984 119.800 -0.109 0.000 2.110 110 Q HA 0.418 4.759 4.340 0.001 0.000 0.232 110 Q C -0.268 175.715 176.000 -0.028 0.000 0.810 110 Q CA -0.285 55.492 55.803 -0.045 0.000 1.083 110 Q CB 0.184 28.917 28.738 -0.009 0.000 1.193 110 Q HN 0.235 nan 8.270 nan 0.000 0.471 111 L N 2.033 123.217 121.223 -0.064 0.000 2.295 111 L HA 0.532 4.872 4.340 0.001 0.000 0.281 111 L C -0.966 175.904 176.870 0.000 0.000 1.018 111 L CA -0.800 54.024 54.840 -0.027 0.000 0.841 111 L CB 1.326 43.337 42.059 -0.079 0.000 1.218 111 L HN 0.210 nan 8.230 nan 0.000 0.424 112 M N 2.177 121.803 119.600 0.043 0.000 2.149 112 M HA 0.273 4.754 4.480 0.001 0.000 0.342 112 M C 0.193 176.529 176.300 0.060 0.000 1.068 112 M CA -0.000 55.332 55.300 0.053 0.000 0.991 112 M CB 1.704 34.356 32.600 0.087 0.000 1.596 112 M HN 0.303 nan 8.290 nan 0.000 0.439 113 S N 1.983 117.706 115.700 0.038 0.000 2.546 113 S HA 0.080 4.551 4.470 0.001 0.000 0.290 113 S C 1.493 176.129 174.600 0.060 0.000 1.290 113 S CA -0.578 57.644 58.200 0.038 0.000 1.069 113 S CB 0.496 63.706 63.200 0.016 0.000 0.846 113 S HN 0.589 nan 8.310 nan 0.000 0.495 114 V N 2.687 122.650 119.914 0.082 0.000 2.358 114 V HA -0.017 4.103 4.120 0.001 0.000 0.246 114 V C 1.218 177.332 176.094 0.034 0.000 1.047 114 V CA 1.423 63.770 62.300 0.079 0.000 1.035 114 V CB -0.061 31.849 31.823 0.145 0.000 0.658 114 V HN 0.792 nan 8.190 nan 0.000 0.452 115 S N -0.597 115.140 115.700 0.062 0.000 2.750 115 S HA 0.516 4.986 4.470 0.001 0.000 0.276 115 S C -1.120 173.490 174.600 0.017 0.000 1.165 115 S CA -0.447 57.757 58.200 0.006 0.000 1.047 115 S CB 1.438 64.634 63.200 -0.006 0.000 1.056 115 S HN 0.001 nan 8.310 nan 0.000 0.481 116 V N 7.698 127.607 119.914 -0.009 0.000 2.384 116 V HA 0.557 4.678 4.120 0.001 0.000 0.287 116 V C -1.998 174.082 176.094 -0.024 0.000 1.020 116 V CA -1.809 60.483 62.300 -0.014 0.000 0.850 116 V CB 1.485 33.298 31.823 -0.016 0.000 0.987 116 V HN 0.677 nan 8.190 nan 0.000 0.436 117 P HA 0.184 nan 4.420 nan 0.000 0.274 117 P C -0.209 177.068 177.300 -0.038 0.000 1.256 117 P CA -0.195 62.888 63.100 -0.029 0.000 0.795 117 P CB 0.820 32.504 31.700 -0.027 0.000 1.038 118 V N 2.186 122.079 119.914 -0.034 0.000 2.585 118 V HA -0.005 4.115 4.120 0.001 0.000 0.296 118 V C 1.185 177.230 176.094 -0.081 0.000 1.035 118 V CA 0.129 62.403 62.300 -0.043 0.000 1.084 118 V CB -0.515 31.301 31.823 -0.011 0.000 0.953 118 V HN 0.605 nan 8.190 nan 0.000 0.483 119 N N 3.492 122.134 118.700 -0.097 0.000 2.472 119 N HA 0.133 4.873 4.740 0.001 0.000 0.277 119 N C 0.483 175.827 175.510 -0.276 0.000 1.081 119 N CA 0.193 53.159 53.050 -0.140 0.000 0.973 119 N CB 1.664 40.096 38.487 -0.091 0.000 1.105 119 N HN 0.838 nan 8.380 nan 0.000 0.470 120 T N 1.037 115.310 114.554 -0.467 0.000 3.296 120 T HA 0.285 4.635 4.350 0.001 0.000 0.285 120 T C 0.690 174.871 174.700 -0.865 0.000 1.014 120 T CA -0.443 60.975 62.100 -1.137 0.000 0.920 120 T CB -0.462 67.889 68.868 -0.861 0.000 1.143 120 T HN 0.283 nan 8.240 nan 0.000 0.522 121 L N 1.971 122.975 121.223 -0.364 0.000 2.367 121 L HA 0.404 4.744 4.340 0.001 0.000 0.275 121 L C -0.001 176.897 176.870 0.047 0.000 1.129 121 L CA -0.689 54.072 54.840 -0.133 0.000 0.839 121 L CB 1.169 43.191 42.059 -0.063 0.000 1.133 121 L HN 0.111 nan 8.230 nan 0.000 0.453 122 V N 5.166 125.132 119.914 0.087 0.000 2.432 122 V HA 0.173 4.293 4.120 0.001 0.000 0.271 122 V C 0.079 176.241 176.094 0.113 0.000 1.046 122 V CA -0.448 61.969 62.300 0.195 0.000 0.945 122 V CB 1.540 33.459 31.823 0.159 0.000 0.992 122 V HN 0.378 nan 8.190 nan 0.000 0.471 123 V N 5.443 125.426 119.914 0.115 0.000 2.328 123 V HA 0.366 4.486 4.120 0.001 0.000 0.278 123 V C 0.148 176.271 176.094 0.049 0.000 1.021 123 V CA -0.446 61.895 62.300 0.068 0.000 0.838 123 V CB 1.447 33.310 31.823 0.067 0.000 0.999 123 V HN 1.071 nan 8.190 nan 0.000 0.447 124 D N 1.932 122.353 120.400 0.035 0.000 2.571 124 D HA 0.016 4.656 4.640 0.001 0.000 0.239 124 D C 1.105 177.414 176.300 0.014 0.000 1.267 124 D CA 0.252 54.264 54.000 0.020 0.000 0.823 124 D CB 0.413 41.224 40.800 0.019 0.000 1.056 124 D HN 0.551 nan 8.370 nan 0.000 0.494 125 T N -1.921 112.643 114.554 0.017 0.000 3.174 125 T HA 0.325 4.676 4.350 0.001 0.000 0.269 125 T C 0.697 175.407 174.700 0.017 0.000 1.017 125 T CA -0.532 61.577 62.100 0.015 0.000 0.899 125 T CB -0.319 68.558 68.868 0.015 0.000 1.077 125 T HN 0.019 nan 8.240 nan 0.000 0.552 126 L N 2.138 123.372 121.223 0.018 0.000 2.483 126 L HA 0.278 4.618 4.340 0.001 0.000 0.275 126 L C 1.140 178.018 176.870 0.015 0.000 1.220 126 L CA -0.471 54.382 54.840 0.021 0.000 0.833 126 L CB 0.249 42.323 42.059 0.026 0.000 1.102 126 L HN 0.228 nan 8.230 nan 0.000 0.490 127 S N 1.921 117.633 115.700 0.019 0.000 2.560 127 S HA 0.115 4.585 4.470 0.001 0.000 0.284 127 S C -1.405 173.201 174.600 0.010 0.000 1.327 127 S CA -1.063 57.146 58.200 0.015 0.000 1.055 127 S CB 0.775 63.988 63.200 0.021 0.000 0.868 127 S HN 0.419 nan 8.310 nan 0.000 0.506 128 P HA -0.078 nan 4.420 nan 0.000 0.220 128 P C 1.304 178.604 177.300 -0.000 0.000 1.144 128 P CA 1.304 64.400 63.100 -0.006 0.000 0.800 128 P CB -0.261 31.435 31.700 -0.007 0.000 0.772 129 T N -5.632 108.931 114.554 0.014 0.000 3.088 129 T HA 0.093 4.444 4.350 0.001 0.000 0.259 129 T C 1.002 175.733 174.700 0.051 0.000 1.122 129 T CA 0.066 62.183 62.100 0.028 0.000 1.095 129 T CB -0.551 68.335 68.868 0.030 0.000 0.930 129 T HN -0.099 nan 8.240 nan 0.000 0.508 130 S N 1.255 116.987 115.700 0.053 0.000 2.580 130 S HA 0.337 4.807 4.470 0.001 0.000 0.274 130 S C -0.606 174.067 174.600 0.121 0.000 1.329 130 S CA -1.010 57.248 58.200 0.096 0.000 1.036 130 S CB 0.249 63.499 63.200 0.084 0.000 0.919 130 S HN 0.601 nan 8.310 nan 0.000 0.515 131 W N 3.044 124.349 121.300 0.009 0.000 2.251 131 W HA 0.202 4.862 4.660 0.001 0.000 0.327 131 W C -0.004 176.525 176.519 0.016 0.000 1.361 131 W CA 0.305 57.654 57.345 0.007 0.000 1.234 131 W CB 0.390 29.854 29.460 0.006 0.000 1.212 131 W HN 0.382 nan 8.180 nan 0.000 0.557 132 Q N 4.203 123.601 119.800 -0.670 0.000 2.345 132 Q HA 0.495 4.836 4.340 0.001 0.000 0.275 132 Q C -0.496 174.746 176.000 -1.264 0.000 1.063 132 Q CA -0.748 54.651 55.803 -0.672 0.000 0.819 132 Q CB 1.958 30.511 28.738 -0.308 0.000 1.356 132 Q HN 0.616 nan 8.270 nan 0.000 0.418 133 A N 1.049 123.356 122.820 -0.855 0.000 2.332 133 A HA 0.355 4.676 4.320 0.001 0.000 0.258 133 A C 0.702 178.097 177.584 -0.314 0.000 1.087 133 A CA -0.033 51.706 52.037 -0.496 0.000 0.802 133 A CB 0.397 19.434 19.000 0.062 0.000 1.042 133 A HN 0.700 nan 8.150 nan 0.000 0.489 134 S N -0.563 114.993 115.700 -0.240 0.000 2.575 134 S HA 0.160 4.631 4.470 0.001 0.000 0.215 134 S C 0.645 175.132 174.600 -0.188 0.000 0.966 134 S CA 0.677 58.754 58.200 -0.204 0.000 0.911 134 S CB -0.382 62.724 63.200 -0.155 0.000 0.780 134 S HN 1.112 nan 8.310 nan 0.000 0.514 135 T N -1.515 112.950 114.554 -0.150 0.000 2.841 135 T HA 0.640 4.990 4.350 0.001 0.000 0.296 135 T C -0.962 173.661 174.700 -0.129 0.000 1.166 135 T CA -0.777 61.245 62.100 -0.130 0.000 1.007 135 T CB 0.727 69.623 68.868 0.047 0.000 1.253 135 T HN -0.077 nan 8.240 nan 0.000 0.511 136 F N 3.055 123.078 119.950 0.121 0.000 2.499 136 F HA 0.422 4.950 4.527 0.001 0.000 0.353 136 F C 0.339 176.181 175.800 0.070 0.000 1.196 136 F CA -1.612 56.421 58.000 0.055 0.000 1.244 136 F CB -0.641 38.361 39.000 0.003 0.000 1.577 136 F HN 0.576 nan 8.300 nan 0.000 0.614 137 F N -0.334 119.713 119.950 0.163 0.000 2.378 137 F HA 0.633 5.160 4.527 0.001 0.000 0.319 137 F C -0.118 175.752 175.800 0.117 0.000 1.155 137 F CA -1.649 56.424 58.000 0.120 0.000 1.157 137 F CB 0.000 39.060 39.000 0.100 0.000 1.252 137 F HN -0.128 nan 8.300 nan 0.000 0.550 138 V N 3.156 123.178 119.914 0.180 0.000 2.425 138 V HA 0.219 4.339 4.120 0.001 0.000 0.276 138 V C 0.190 176.279 176.094 -0.009 0.000 1.017 138 V CA 0.143 62.478 62.300 0.058 0.000 1.062 138 V CB -0.850 31.041 31.823 0.114 0.000 0.997 138 V HN 0.733 nan 8.190 nan 0.000 0.476 139 R N 3.824 124.225 120.500 -0.166 0.000 2.795 139 R HA 0.465 4.805 4.340 0.001 0.000 0.275 139 R C 0.192 176.442 176.300 -0.082 0.000 0.981 139 R CA -0.925 55.047 56.100 -0.212 0.000 0.917 139 R CB 1.308 31.350 30.300 -0.431 0.000 1.202 139 R HN 0.684 nan 8.270 nan 0.000 0.469 140 N N 0.643 119.322 118.700 -0.035 0.000 2.725 140 N HA -0.187 4.553 4.740 0.001 0.000 0.249 140 N C 0.407 175.906 175.510 -0.018 0.000 1.103 140 N CA 1.536 54.572 53.050 -0.024 0.000 0.707 140 N CB -1.153 37.313 38.487 -0.035 0.000 1.043 140 N HN 1.068 nan 8.380 nan 0.000 0.553 141 G N -1.678 107.117 108.800 -0.009 0.000 2.148 141 G HA2 -0.322 3.638 3.960 0.001 0.000 0.254 141 G HA3 -0.322 3.638 3.960 0.001 0.000 0.254 141 G C 0.257 175.152 174.900 -0.009 0.000 0.981 141 G CA 0.808 45.906 45.100 -0.004 0.000 0.670 141 G HN 1.296 nan 8.290 nan 0.000 0.528 142 S N -0.519 115.171 115.700 -0.018 0.000 2.579 142 S HA 0.454 4.925 4.470 0.001 0.000 0.275 142 S C 0.195 174.786 174.600 -0.014 0.000 1.345 142 S CA -0.095 58.092 58.200 -0.022 0.000 1.031 142 S CB 1.796 64.975 63.200 -0.034 0.000 0.892 142 S HN 0.557 nan 8.310 nan 0.000 0.529 143 N N 2.631 121.316 118.700 -0.025 0.000 2.462 143 N HA 0.319 5.060 4.740 0.001 0.000 0.242 143 N C -1.489 174.007 175.510 -0.023 0.000 1.010 143 N CA -2.500 50.529 53.050 -0.036 0.000 0.939 143 N CB 1.069 39.510 38.487 -0.078 0.000 1.127 143 N HN 0.399 nan 8.380 nan 0.000 0.509 144 P HA -0.051 nan 4.420 nan 0.000 0.230 144 P C 0.325 177.649 177.300 0.039 0.000 1.158 144 P CA 0.844 63.961 63.100 0.028 0.000 0.769 144 P CB 0.603 32.333 31.700 0.051 0.000 0.807 145 E N -0.046 120.165 120.200 0.019 0.000 2.274 145 E HA -0.097 4.253 4.350 0.001 0.000 0.194 145 E C 0.975 177.594 176.600 0.031 0.000 0.996 145 E CA 0.549 56.985 56.400 0.060 0.000 0.840 145 E CB -0.209 29.477 29.700 -0.024 0.000 0.772 145 E HN 0.314 nan 8.360 nan 0.000 0.491 146 Q N 2.293 122.069 119.800 -0.040 0.000 2.293 146 Q HA 0.008 4.348 4.340 0.001 0.000 0.263 146 Q C -0.726 175.285 176.000 0.020 0.000 1.002 146 Q CA -0.070 55.712 55.803 -0.036 0.000 0.910 146 Q CB 0.663 29.361 28.738 -0.066 0.000 1.185 146 Q HN -0.186 nan 8.270 nan 0.000 0.401 147 D N 5.883 126.313 120.400 0.050 0.000 2.371 147 D HA 0.064 4.704 4.640 0.001 0.000 0.256 147 D C -1.713 174.604 176.300 0.029 0.000 1.193 147 D CA -1.882 52.147 54.000 0.047 0.000 0.881 147 D CB 1.307 42.147 40.800 0.067 0.000 1.143 147 D HN 0.449 nan 8.370 nan 0.000 0.473 148 P HA -0.058 nan 4.420 nan 0.000 0.230 148 P C 1.293 178.595 177.300 0.004 0.000 1.158 148 P CA 0.549 63.648 63.100 -0.001 0.000 0.769 148 P CB 0.403 32.091 31.700 -0.021 0.000 0.807 149 L N -1.093 120.137 121.223 0.012 0.000 2.567 149 L HA 0.169 4.509 4.340 0.001 0.000 0.225 149 L C 1.517 178.403 176.870 0.026 0.000 1.119 149 L CA 0.302 55.150 54.840 0.013 0.000 0.871 149 L CB -0.141 41.922 42.059 0.007 0.000 1.036 149 L HN -0.154 nan 8.230 nan 0.000 0.459 150 R N -0.076 120.449 120.500 0.042 0.000 2.834 150 R HA 0.222 4.562 4.340 0.001 0.000 0.362 150 R C -0.442 175.915 176.300 0.094 0.000 1.147 150 R CA -0.272 55.866 56.100 0.063 0.000 1.125 150 R CB 0.263 30.602 30.300 0.066 0.000 1.361 150 R HN 0.036 nan 8.270 nan 0.000 0.598 151 N N 0.632 119.363 118.700 0.052 0.000 2.483 151 N HA 0.376 5.116 4.740 0.001 0.000 0.285 151 N C -0.682 174.733 175.510 -0.157 0.000 1.210 151 N CA -0.660 52.399 53.050 0.014 0.000 0.931 151 N CB 1.216 39.710 38.487 0.012 0.000 1.220 151 N HN 0.110 nan 8.380 nan 0.000 0.542 152 L N 2.075 123.031 121.223 -0.446 0.000 2.494 152 L HA 0.212 4.552 4.340 0.001 0.000 0.251 152 L C 1.411 178.077 176.870 -0.341 0.000 1.119 152 L CA -0.284 54.178 54.840 -0.630 0.000 1.026 152 L CB 0.430 41.709 42.059 -1.301 0.000 1.370 152 L HN 0.633 nan 8.230 nan 0.000 0.426 153 S N -0.331 115.270 115.700 -0.164 0.000 2.419 153 S HA -0.119 4.351 4.470 0.001 0.000 0.233 153 S C 1.717 176.271 174.600 -0.077 0.000 1.016 153 S CA 1.041 59.193 58.200 -0.080 0.000 0.974 153 S CB -0.149 63.021 63.200 -0.049 0.000 0.786 153 S HN 0.637 nan 8.310 nan 0.000 0.492 154 G N 0.229 108.966 108.800 -0.105 0.000 2.939 154 G HA2 0.134 4.094 3.960 0.001 0.000 0.210 154 G HA3 0.134 4.094 3.960 0.001 0.000 0.210 154 G C 0.496 175.350 174.900 -0.077 0.000 1.160 154 G CA -0.355 44.698 45.100 -0.078 0.000 0.770 154 G HN 0.347 nan 8.290 nan 0.000 0.543 155 Q N 0.625 120.355 119.800 -0.117 0.000 2.337 155 Q HA 0.530 4.870 4.340 0.001 0.000 0.270 155 Q C -0.171 175.845 176.000 0.027 0.000 1.002 155 Q CA 0.258 56.024 55.803 -0.062 0.000 0.888 155 Q CB 1.481 30.149 28.738 -0.118 0.000 1.222 155 Q HN 0.283 nan 8.270 nan 0.000 0.400 156 A N 1.912 124.760 122.820 0.047 0.000 2.609 156 A HA 0.733 5.053 4.320 0.001 0.000 0.291 156 A C -1.043 176.594 177.584 0.088 0.000 1.096 156 A CA -0.549 51.525 52.037 0.062 0.000 0.684 156 A CB 1.314 20.334 19.000 0.033 0.000 1.282 156 A HN 0.469 nan 8.150 nan 0.000 0.412 157 V N -2.120 117.859 119.914 0.109 0.000 3.001 157 V HA 0.951 5.072 4.120 0.001 0.000 0.314 157 V C -0.483 175.701 176.094 0.149 0.000 1.099 157 V CA -0.567 61.820 62.300 0.145 0.000 0.989 157 V CB 1.678 33.627 31.823 0.209 0.000 1.040 157 V HN 0.899 nan 8.190 nan 0.000 0.434 158 T N 2.611 117.258 114.554 0.155 0.000 2.815 158 T HA 0.546 4.896 4.350 0.001 0.000 0.289 158 T C -0.335 174.427 174.700 0.103 0.000 1.000 158 T CA -0.424 61.760 62.100 0.139 0.000 0.958 158 T CB 0.909 69.893 68.868 0.193 0.000 0.944 158 T HN 0.754 nan 8.240 nan 0.000 0.442 159 R N 2.740 123.288 120.500 0.080 0.000 2.332 159 R HA 0.612 4.953 4.340 0.001 0.000 0.306 159 R C -0.623 175.700 176.300 0.038 0.000 1.117 159 R CA -0.606 55.514 56.100 0.033 0.000 1.108 159 R CB 0.712 31.010 30.300 -0.004 0.000 1.126 159 R HN 0.526 nan 8.270 nan 0.000 0.548 160 V N -1.680 118.255 119.914 0.036 0.000 3.167 160 V HA 0.368 4.488 4.120 0.001 0.000 0.293 160 V C -0.263 175.850 176.094 0.031 0.000 1.379 160 V CA -1.158 61.166 62.300 0.040 0.000 1.019 160 V CB 1.858 33.714 31.823 0.055 0.000 1.115 160 V HN 0.146 nan 8.190 nan 0.000 0.442 161 V N 3.477 123.410 119.914 0.033 0.000 2.540 161 V HA 0.524 4.644 4.120 0.001 0.000 0.297 161 V C 1.722 177.835 176.094 0.032 0.000 1.024 161 V CA 1.963 64.282 62.300 0.031 0.000 1.105 161 V CB 0.160 32.003 31.823 0.033 0.000 0.938 161 V HN 2.200 nan 8.190 nan 0.000 0.482 162 G N 3.346 112.160 108.800 0.024 0.000 2.194 162 G HA2 0.003 3.963 3.960 0.001 0.000 0.236 162 G HA3 0.003 3.963 3.960 0.001 0.000 0.236 162 G C 0.973 175.854 174.900 -0.033 0.000 0.987 162 G CA 0.255 45.360 45.100 0.008 0.000 0.635 162 G HN 2.083 nan 8.290 nan 0.000 0.520 163 G N 0.123 108.913 108.800 -0.016 0.000 2.594 163 G HA2 -0.278 3.682 3.960 0.001 0.000 0.297 163 G HA3 -0.278 3.682 3.960 0.001 0.000 0.297 163 G C 1.187 176.039 174.900 -0.079 0.000 1.273 163 G CA 1.291 46.374 45.100 -0.028 0.000 0.974 163 G HN 1.098 nan 8.290 nan 0.000 0.552 164 M N 1.544 121.058 119.600 -0.143 0.000 2.557 164 M HA 0.018 4.498 4.480 0.001 0.000 0.259 164 M C 2.715 178.677 176.300 -0.562 0.000 1.086 164 M CA 1.694 56.778 55.300 -0.360 0.000 1.096 164 M CB -0.158 32.314 32.600 -0.213 0.000 1.424 164 M HN 0.707 nan 8.290 nan 0.000 0.488 165 S N -0.411 115.010 115.700 -0.465 0.000 2.515 165 S HA -0.078 4.393 4.470 0.001 0.000 0.231 165 S C 1.778 176.258 174.600 -0.200 0.000 0.987 165 S CA 1.209 59.031 58.200 -0.630 0.000 0.936 165 S CB -0.955 61.880 63.200 -0.607 0.000 0.766 165 S HN 0.582 nan 8.310 nan 0.000 0.528 166 T N -0.369 114.076 114.554 -0.181 0.000 3.072 166 T HA -0.070 4.280 4.350 0.001 0.000 0.266 166 T C 1.493 176.044 174.700 -0.249 0.000 1.127 166 T CA 1.106 63.130 62.100 -0.125 0.000 1.107 166 T CB -0.739 68.141 68.868 0.019 0.000 0.910 166 T HN 0.910 nan 8.240 nan 0.000 0.513 167 H N -1.987 117.006 119.070 -0.128 0.000 3.535 167 H HA 0.199 4.755 4.556 0.001 0.000 0.260 167 H C 0.690 176.180 175.328 0.270 0.000 1.173 167 H CA -0.965 55.133 56.048 0.083 0.000 1.168 167 H CB -0.485 29.348 29.762 0.118 0.000 1.568 167 H HN 0.508 nan 8.280 nan 0.000 0.602 168 W N 2.238 123.415 121.300 -0.204 0.000 2.042 168 W HA 0.390 5.050 4.660 0.001 0.000 0.358 168 W C 0.844 177.440 176.519 0.128 0.000 1.325 168 W CA 0.025 57.381 57.345 0.017 0.000 1.311 168 W CB -0.331 29.087 29.460 -0.070 0.000 1.210 168 W HN 0.040 nan 8.180 nan 0.000 0.620 169 G N -0.469 108.299 108.800 -0.052 0.000 2.880 169 G HA2 0.087 4.047 3.960 0.001 0.000 0.209 169 G HA3 0.087 4.047 3.960 0.001 0.000 0.209 169 G C 0.687 175.188 174.900 -0.665 0.000 1.157 169 G CA 0.553 45.451 45.100 -0.336 0.000 0.779 169 G HN 0.864 nan 8.290 nan 0.000 0.539 170 C N -1.027 117.511 119.300 -1.270 0.000 4.497 170 C HA -0.122 4.339 4.460 0.001 0.000 0.268 170 C C 1.609 176.130 174.990 -0.781 0.000 1.343 170 C CA -0.867 57.152 59.018 -1.664 0.000 1.742 170 C CB -2.323 24.941 27.740 -0.793 0.000 1.450 170 C HN 0.895 nan 8.230 nan 0.000 0.733 171 A N 1.012 123.565 122.820 -0.445 0.000 2.409 171 A HA 0.564 4.884 4.320 0.001 0.000 0.267 171 A C 0.772 178.271 177.584 -0.142 0.000 1.127 171 A CA 1.108 53.032 52.037 -0.188 0.000 0.795 171 A CB 0.219 19.183 19.000 -0.060 0.000 1.061 171 A HN 1.404 nan 8.150 nan 0.000 0.502 172 T N 1.356 115.848 114.554 -0.102 0.000 3.504 172 T HA 0.501 4.851 4.350 0.001 0.000 0.286 172 T C -2.746 171.916 174.700 -0.063 0.000 1.530 172 T CA -1.446 60.627 62.100 -0.045 0.000 1.652 172 T CB 0.546 69.416 68.868 0.004 0.000 0.895 172 T HN 0.451 nan 8.240 nan 0.000 0.674 173 P HA 0.343 nan 4.420 nan 0.000 0.275 173 P C -0.143 177.029 177.300 -0.215 0.000 1.228 173 P CA -0.537 62.478 63.100 -0.141 0.000 0.786 173 P CB 1.049 32.647 31.700 -0.170 0.000 0.927 174 R N 1.237 121.522 120.500 -0.357 0.000 2.582 174 R HA 0.365 4.705 4.340 0.001 0.000 0.271 174 R C 0.116 176.304 176.300 -0.187 0.000 1.078 174 R CA -0.345 55.356 56.100 -0.666 0.000 1.127 174 R CB 0.132 29.879 30.300 -0.922 0.000 1.038 174 R HN 0.374 nan 8.270 nan 0.000 0.500 175 F N 1.933 121.643 119.950 -0.399 0.000 2.396 175 F HA 0.064 4.591 4.527 0.001 0.000 0.343 175 F C 0.971 176.577 175.800 -0.324 0.000 1.104 175 F CA -1.640 56.152 58.000 -0.347 0.000 1.161 175 F CB 0.375 39.159 39.000 -0.359 0.000 1.146 175 F HN 0.556 nan 8.300 nan 0.000 0.522 176 D N 2.448 122.764 120.400 -0.140 0.000 2.398 176 D HA 0.104 4.745 4.640 0.001 0.000 0.247 176 D C 1.037 177.241 176.300 -0.161 0.000 1.227 176 D CA -0.379 53.539 54.000 -0.137 0.000 0.980 176 D CB 0.578 41.313 40.800 -0.107 0.000 1.106 176 D HN 0.486 nan 8.370 nan 0.000 0.493 177 R N -0.443 119.995 120.500 -0.104 0.000 2.091 177 R HA -0.176 4.164 4.340 0.001 0.000 0.238 177 R C 2.091 178.335 176.300 -0.095 0.000 1.136 177 R CA 1.675 57.724 56.100 -0.085 0.000 0.959 177 R CB -0.278 30.009 30.300 -0.023 0.000 0.856 177 R HN 0.676 nan 8.270 nan 0.000 0.437 178 E N 0.691 120.831 120.200 -0.100 0.000 2.204 178 E HA -0.209 4.141 4.350 0.001 0.000 0.195 178 E C 1.490 177.984 176.600 -0.177 0.000 0.990 178 E CA 1.079 57.431 56.400 -0.080 0.000 0.821 178 E CB 0.222 29.932 29.700 0.016 0.000 0.750 178 E HN 0.398 nan 8.360 nan 0.000 0.477 179 Q N -0.482 119.105 119.800 -0.355 0.000 2.356 179 Q HA 0.116 4.456 4.340 0.001 0.000 0.205 179 Q C 0.297 176.162 176.000 -0.225 0.000 0.901 179 Q CA -0.097 55.413 55.803 -0.489 0.000 0.938 179 Q CB 0.667 28.794 28.738 -1.017 0.000 1.081 179 Q HN -0.048 nan 8.270 nan 0.000 0.517 180 R N 1.954 122.381 120.500 -0.122 0.000 2.514 180 R HA 0.324 4.664 4.340 0.001 0.000 0.301 180 R C -2.581 173.709 176.300 -0.017 0.000 0.962 180 R CA -2.035 54.015 56.100 -0.084 0.000 0.882 180 R CB 1.216 31.307 30.300 -0.347 0.000 1.143 180 R HN -0.116 nan 8.270 nan 0.000 0.452 181 P HA 0.087 nan 4.420 nan 0.000 0.277 181 P C -0.564 176.913 177.300 0.295 0.000 1.240 181 P CA -0.288 62.907 63.100 0.158 0.000 0.798 181 P CB 0.870 32.659 31.700 0.147 0.000 0.979 182 L N 2.427 123.793 121.223 0.239 0.000 2.410 182 L HA 0.101 4.442 4.340 0.001 0.000 0.273 182 L C 1.778 178.799 176.870 0.251 0.000 1.152 182 L CA -0.076 54.965 54.840 0.335 0.000 0.855 182 L CB 0.092 42.406 42.059 0.425 0.000 1.129 182 L HN 0.370 nan 8.230 nan 0.000 0.463 183 L N 3.639 125.037 121.223 0.290 0.000 2.575 183 L HA 0.204 4.544 4.340 0.001 0.000 0.228 183 L C -0.176 176.862 176.870 0.280 0.000 1.075 183 L CA 0.196 55.094 54.840 0.097 0.000 0.867 183 L CB 0.724 42.624 42.059 -0.265 0.000 1.097 183 L HN 0.336 nan 8.230 nan 0.000 0.485 184 V N 1.006 121.096 119.914 0.294 0.000 2.531 184 V HA 0.233 4.353 4.120 0.001 0.000 0.301 184 V C -0.441 175.749 176.094 0.159 0.000 1.034 184 V CA -0.999 61.418 62.300 0.196 0.000 0.865 184 V CB 1.807 33.691 31.823 0.101 0.000 0.995 184 V HN 0.178 nan 8.190 nan 0.000 0.424 185 K N 2.369 122.752 120.400 -0.028 0.000 2.174 185 K HA 0.501 4.822 4.320 0.001 0.000 0.275 185 K C -0.416 176.157 176.600 -0.045 0.000 1.015 185 K CA -0.578 55.649 56.287 -0.101 0.000 0.933 185 K CB 0.748 33.013 32.500 -0.392 0.000 1.025 185 K HN 0.596 nan 8.250 nan 0.000 0.463 186 D N 0.933 121.328 120.400 -0.009 0.000 2.772 186 D HA -0.165 4.476 4.640 0.001 0.000 0.233 186 D C -0.833 175.475 176.300 0.012 0.000 1.143 186 D CA 1.443 55.442 54.000 -0.001 0.000 0.700 186 D CB -0.784 40.002 40.800 -0.024 0.000 1.076 186 D HN 0.786 nan 8.370 nan 0.000 0.430 187 D N -1.438 118.982 120.400 0.033 0.000 2.634 187 D HA 0.394 5.034 4.640 0.001 0.000 0.236 187 D C 0.916 177.253 176.300 0.061 0.000 1.323 187 D CA 0.209 54.232 54.000 0.038 0.000 0.884 187 D CB 0.353 41.170 40.800 0.029 0.000 1.496 187 D HN -0.000 nan 8.370 nan 0.000 0.525 188 A N 2.104 124.961 122.820 0.062 0.000 1.908 188 A HA -0.176 4.144 4.320 0.001 0.000 0.218 188 A C 1.684 179.317 177.584 0.083 0.000 1.181 188 A CA 1.507 53.590 52.037 0.078 0.000 0.627 188 A CB -0.034 19.003 19.000 0.062 0.000 0.818 188 A HN 0.421 nan 8.150 nan 0.000 0.445 189 D N -0.147 120.291 120.400 0.064 0.000 2.117 189 D HA -0.003 4.637 4.640 0.001 0.000 0.198 189 D C 2.263 178.604 176.300 0.068 0.000 0.982 189 D CA 1.473 55.510 54.000 0.062 0.000 0.828 189 D CB -0.405 40.422 40.800 0.045 0.000 0.967 189 D HN 0.405 nan 8.370 nan 0.000 0.464 190 A N 0.658 123.515 122.820 0.060 0.000 1.902 190 A HA -0.218 4.102 4.320 0.001 0.000 0.217 190 A C 1.972 179.603 177.584 0.078 0.000 1.181 190 A CA 2.075 54.145 52.037 0.055 0.000 0.623 190 A CB -0.736 18.289 19.000 0.040 0.000 0.818 190 A HN 0.213 nan 8.150 nan 0.000 0.443 191 D N -0.323 120.146 120.400 0.115 0.000 2.123 191 D HA -0.174 4.466 4.640 0.001 0.000 0.196 191 D C 1.288 177.754 176.300 0.277 0.000 0.992 191 D CA 1.628 55.742 54.000 0.191 0.000 0.833 191 D CB -0.132 40.809 40.800 0.234 0.000 0.954 191 D HN 0.360 nan 8.370 nan 0.000 0.455 192 D N -0.368 120.163 120.400 0.218 0.000 2.123 192 D HA -0.122 4.518 4.640 0.001 0.000 0.196 192 D C 1.985 178.402 176.300 0.194 0.000 0.992 192 D CA 1.427 55.559 54.000 0.220 0.000 0.833 192 D CB -0.553 40.328 40.800 0.135 0.000 0.954 192 D HN 0.332 nan 8.370 nan 0.000 0.455 193 A N 0.555 123.448 122.820 0.122 0.000 1.930 193 A HA -0.189 4.131 4.320 0.001 0.000 0.217 193 A C 2.134 179.752 177.584 0.056 0.000 1.175 193 A CA 1.854 53.940 52.037 0.081 0.000 0.627 193 A CB -0.480 18.550 19.000 0.050 0.000 0.815 193 A HN 0.177 nan 8.150 nan 0.000 0.443 194 E N -0.963 119.252 120.200 0.025 0.000 2.072 194 E HA -0.176 4.174 4.350 0.001 0.000 0.191 194 E C 1.638 178.145 176.600 -0.155 0.000 0.985 194 E CA 1.327 57.668 56.400 -0.099 0.000 0.801 194 E CB -0.437 29.157 29.700 -0.177 0.000 0.750 194 E HN 0.723 nan 8.360 nan 0.000 0.452 195 W N 0.677 121.951 121.300 -0.044 0.000 2.402 195 W HA -0.069 4.591 4.660 0.001 0.000 0.286 195 W C 2.007 178.534 176.519 0.014 0.000 1.221 195 W CA 1.154 58.441 57.345 -0.096 0.000 1.257 195 W CB -0.210 29.243 29.460 -0.012 0.000 1.120 195 W HN 0.239 nan 8.180 nan 0.000 0.551 196 D N 0.035 120.607 120.400 0.287 0.000 2.117 196 D HA -0.200 4.440 4.640 0.001 0.000 0.198 196 D C 2.163 178.540 176.300 0.128 0.000 0.982 196 D CA 1.352 55.487 54.000 0.226 0.000 0.828 196 D CB -0.182 40.708 40.800 0.150 0.000 0.967 196 D HN -0.040 nan 8.370 nan 0.000 0.464 197 R N -0.343 120.184 120.500 0.044 0.000 2.096 197 R HA -0.070 4.270 4.340 0.001 0.000 0.235 197 R C 2.297 178.561 176.300 -0.060 0.000 1.127 197 R CA 1.015 57.104 56.100 -0.018 0.000 0.968 197 R CB -0.193 30.076 30.300 -0.052 0.000 0.861 197 R HN 0.279 nan 8.270 nan 0.000 0.440 198 L N -0.906 120.254 121.223 -0.106 0.000 2.095 198 L HA -0.097 4.243 4.340 0.001 0.000 0.204 198 L C 2.145 178.954 176.870 -0.102 0.000 1.080 198 L CA 0.799 55.521 54.840 -0.197 0.000 0.759 198 L CB -0.468 41.363 42.059 -0.380 0.000 0.914 198 L HN 0.162 nan 8.230 nan 0.000 0.439 199 Y N 0.441 120.744 120.300 0.006 0.000 2.224 199 Y HA -0.221 4.329 4.550 0.001 0.000 0.289 199 Y C 2.843 178.723 175.900 -0.033 0.000 1.146 199 Y CA 1.481 59.592 58.100 0.019 0.000 1.182 199 Y CB -0.996 37.509 38.460 0.076 0.000 0.983 199 Y HN 0.122 nan 8.280 nan 0.000 0.524 200 T N -0.329 114.299 114.554 0.124 0.000 2.746 200 T HA -0.227 4.123 4.350 0.001 0.000 0.267 200 T C 1.979 176.644 174.700 -0.058 0.000 1.039 200 T CA 1.759 63.881 62.100 0.037 0.000 1.142 200 T CB -0.184 68.700 68.868 0.027 0.000 0.866 200 T HN 0.227 nan 8.240 nan 0.000 0.444 201 K N 0.877 121.185 120.400 -0.153 0.000 2.057 201 K HA -0.005 4.315 4.320 0.001 0.000 0.207 201 K C 2.509 178.763 176.600 -0.576 0.000 1.049 201 K CA 1.156 57.217 56.287 -0.376 0.000 0.931 201 K CB -0.321 31.926 32.500 -0.422 0.000 0.714 201 K HN 0.263 nan 8.250 nan 0.000 0.440 202 A N 1.237 123.841 122.820 -0.359 0.000 1.908 202 A HA -0.217 4.103 4.320 0.001 0.000 0.218 202 A C 1.850 179.427 177.584 -0.011 0.000 1.181 202 A CA 1.853 53.744 52.037 -0.244 0.000 0.627 202 A CB -0.522 18.457 19.000 -0.035 0.000 0.818 202 A HN 0.476 nan 8.150 nan 0.000 0.445 203 E N -0.686 119.555 120.200 0.069 0.000 2.110 203 E HA -0.133 4.217 4.350 0.001 0.000 0.193 203 E C 2.254 178.933 176.600 0.131 0.000 0.988 203 E CA 1.078 57.568 56.400 0.151 0.000 0.804 203 E CB -0.148 29.613 29.700 0.101 0.000 0.745 203 E HN 0.600 nan 8.360 nan 0.000 0.458 204 S N -0.354 115.370 115.700 0.040 0.000 2.368 204 S HA -0.161 4.310 4.470 0.001 0.000 0.225 204 S C 1.793 176.528 174.600 0.225 0.000 1.030 204 S CA 0.933 59.190 58.200 0.094 0.000 0.999 204 S CB -0.183 63.045 63.200 0.048 0.000 0.844 204 S HN 0.280 nan 8.310 nan 0.000 0.459 205 Y N 0.059 120.374 120.300 0.025 0.000 2.224 205 Y HA 0.059 4.610 4.550 0.001 0.000 0.289 205 Y C 1.981 177.910 175.900 0.048 0.000 1.146 205 Y CA 0.245 58.325 58.100 -0.033 0.000 1.182 205 Y CB -1.013 37.342 38.460 -0.176 0.000 0.983 205 Y HN 0.331 nan 8.280 nan 0.000 0.524 206 F N 0.219 120.318 119.950 0.248 0.000 2.789 206 F HA 0.056 4.584 4.527 0.000 0.000 0.300 206 F C 0.755 176.667 175.800 0.187 0.000 1.132 206 F CA 0.094 58.234 58.000 0.235 0.000 1.404 206 F CB -0.252 38.904 39.000 0.260 0.000 1.114 206 F HN -0.022 nan 8.300 nan 0.000 0.584 207 Q N 0.420 120.411 119.800 0.317 0.000 2.463 207 Q HA -0.191 4.149 4.340 0.001 0.000 0.299 207 Q C 0.059 176.150 176.000 0.152 0.000 1.353 207 Q CA 0.708 56.625 55.803 0.190 0.000 0.828 207 Q CB -2.706 26.122 28.738 0.151 0.000 1.157 207 Q HN 0.203 nan 8.270 nan 0.000 0.436 208 T N 0.098 114.757 114.554 0.174 0.000 2.888 208 T HA 0.459 4.809 4.350 0.001 0.000 0.301 208 T C 0.767 175.506 174.700 0.065 0.000 1.001 208 T CA 0.602 62.770 62.100 0.113 0.000 1.147 208 T CB 1.242 70.186 68.868 0.127 0.000 0.931 208 T HN 0.480 nan 8.240 nan 0.000 0.541 209 G N 0.781 109.605 108.800 0.039 0.000 2.695 209 G HA2 0.551 4.512 3.960 0.001 0.000 0.290 209 G HA3 0.551 4.512 3.960 0.001 0.000 0.290 209 G C 0.143 175.065 174.900 0.037 0.000 1.410 209 G CA -0.598 44.518 45.100 0.028 0.000 0.844 209 G HN 0.615 nan 8.290 nan 0.000 0.478 210 T N -2.407 112.172 114.554 0.042 0.000 3.288 210 T HA 0.268 4.618 4.350 0.001 0.000 0.293 210 T C 0.069 174.817 174.700 0.081 0.000 1.008 210 T CA 0.488 62.628 62.100 0.067 0.000 0.929 210 T CB 0.314 69.221 68.868 0.065 0.000 1.152 210 T HN 0.508 nan 8.240 nan 0.000 0.517 211 D N 0.117 120.546 120.400 0.048 0.000 2.539 211 D HA 0.079 4.720 4.640 0.001 0.000 0.232 211 D C 1.178 177.455 176.300 -0.039 0.000 1.256 211 D CA -0.152 53.868 54.000 0.034 0.000 0.810 211 D CB -0.082 40.726 40.800 0.013 0.000 1.090 211 D HN 0.230 nan 8.370 nan 0.000 0.519 212 Q N -0.368 119.391 119.800 -0.067 0.000 2.291 212 Q HA 0.129 4.469 4.340 0.001 0.000 0.205 212 Q C 0.414 176.065 176.000 -0.581 0.000 0.970 212 Q CA 1.014 56.636 55.803 -0.301 0.000 0.876 212 Q CB -0.277 28.252 28.738 -0.348 0.000 0.935 212 Q HN 0.288 nan 8.270 nan 0.000 0.455 213 F N 0.027 119.844 119.950 -0.222 0.000 2.668 213 F HA 0.208 4.735 4.527 0.001 0.000 0.301 213 F C 1.270 176.936 175.800 -0.224 0.000 1.106 213 F CA -0.398 57.408 58.000 -0.324 0.000 1.289 213 F CB 0.293 38.953 39.000 -0.566 0.000 1.006 213 F HN 0.016 nan 8.300 nan 0.000 0.535 214 K N 0.109 120.506 120.400 -0.006 0.000 2.365 214 K HA -0.083 4.237 4.320 0.001 0.000 0.199 214 K C 0.956 177.646 176.600 0.150 0.000 1.045 214 K CA 1.488 57.867 56.287 0.154 0.000 0.962 214 K CB -0.157 32.406 32.500 0.105 0.000 0.759 214 K HN 0.268 nan 8.250 nan 0.000 0.469 215 E N 1.355 121.524 120.200 -0.053 0.000 2.463 215 E HA 0.053 4.404 4.350 0.001 0.000 0.193 215 E C -0.554 176.089 176.600 0.072 0.000 1.041 215 E CA -0.337 55.933 56.400 -0.217 0.000 0.879 215 E CB 0.786 30.142 29.700 -0.573 0.000 0.997 215 E HN 0.226 nan 8.360 nan 0.000 0.478 216 S N 0.494 116.293 115.700 0.166 0.000 2.505 216 S HA 0.139 4.610 4.470 0.001 0.000 0.276 216 S C 1.233 175.952 174.600 0.197 0.000 1.274 216 S CA -0.421 57.883 58.200 0.175 0.000 1.053 216 S CB 0.397 63.729 63.200 0.220 0.000 0.919 216 S HN 0.198 nan 8.310 nan 0.000 0.490 217 I N 5.020 125.557 120.570 -0.055 0.000 2.179 217 I HA -0.163 4.007 4.170 0.001 0.000 0.242 217 I C 2.697 178.702 176.117 -0.185 0.000 1.088 217 I CA 1.143 62.166 61.300 -0.462 0.000 1.357 217 I CB -0.245 37.267 38.000 -0.814 0.000 1.051 217 I HN 0.700 nan 8.210 nan 0.000 0.409 218 R N -0.412 120.048 120.500 -0.068 0.000 2.081 218 R HA -0.228 4.113 4.340 0.001 0.000 0.235 218 R C 2.389 178.749 176.300 0.101 0.000 1.131 218 R CA 1.723 57.828 56.100 0.009 0.000 0.960 218 R CB -0.660 29.645 30.300 0.009 0.000 0.856 218 R HN 0.417 nan 8.270 nan 0.000 0.436 219 H N 1.171 120.275 119.070 0.058 0.000 2.319 219 H HA -0.057 4.500 4.556 0.001 0.000 0.299 219 H C 1.744 177.147 175.328 0.126 0.000 1.092 219 H CA 1.882 57.983 56.048 0.089 0.000 1.302 219 H CB -0.110 29.739 29.762 0.145 0.000 1.373 219 H HN 0.122 nan 8.280 nan 0.000 0.497 220 N N -0.036 118.767 118.700 0.171 0.000 2.270 220 N HA -0.112 4.628 4.740 0.001 0.000 0.181 220 N C 1.993 177.619 175.510 0.193 0.000 1.016 220 N CA 0.935 54.096 53.050 0.186 0.000 0.870 220 N CB -0.123 38.641 38.487 0.462 0.000 0.979 220 N HN 0.325 nan 8.380 nan 0.000 0.431 221 L N 1.143 122.501 121.223 0.225 0.000 2.027 221 L HA -0.078 4.262 4.340 0.001 0.000 0.206 221 L C 2.120 179.035 176.870 0.075 0.000 1.074 221 L CA 1.260 56.224 54.840 0.205 0.000 0.745 221 L CB -0.511 41.656 42.059 0.180 0.000 0.898 221 L HN -0.153 nan 8.230 nan 0.000 0.433 222 V N -0.578 119.349 119.914 0.021 0.000 2.307 222 V HA -0.252 3.868 4.120 0.001 0.000 0.245 222 V C 2.454 178.484 176.094 -0.106 0.000 1.045 222 V CA 1.660 63.941 62.300 -0.031 0.000 1.024 222 V CB -0.695 31.098 31.823 -0.050 0.000 0.651 222 V HN 0.490 nan 8.190 nan 0.000 0.449 223 L N 1.038 122.173 121.223 -0.148 0.000 2.012 223 L HA -0.160 4.180 4.340 0.001 0.000 0.210 223 L C 2.178 178.976 176.870 -0.119 0.000 1.073 223 L CA 2.056 56.792 54.840 -0.173 0.000 0.748 223 L CB -1.088 40.821 42.059 -0.250 0.000 0.891 223 L HN 0.327 nan 8.230 nan 0.000 0.431 224 N N -0.233 118.433 118.700 -0.057 0.000 2.188 224 N HA -0.186 4.554 4.740 0.001 0.000 0.184 224 N C 1.829 177.307 175.510 -0.053 0.000 1.018 224 N CA 1.199 54.227 53.050 -0.035 0.000 0.858 224 N CB -0.303 38.180 38.487 -0.007 0.000 0.989 224 N HN 0.267 nan 8.380 nan 0.000 0.426 225 K N 1.438 121.807 120.400 -0.051 0.000 2.057 225 K HA 0.062 4.382 4.320 0.001 0.000 0.207 225 K C 1.917 178.467 176.600 -0.083 0.000 1.049 225 K CA 0.913 57.171 56.287 -0.048 0.000 0.931 225 K CB -0.450 32.041 32.500 -0.016 0.000 0.714 225 K HN 0.130 nan 8.250 nan 0.000 0.440 226 L N -0.001 121.107 121.223 -0.192 0.000 2.056 226 L HA -0.133 4.207 4.340 0.001 0.000 0.207 226 L C 2.236 178.935 176.870 -0.285 0.000 1.078 226 L CA 1.583 56.208 54.840 -0.358 0.000 0.749 226 L CB -0.857 40.623 42.059 -0.965 0.000 0.901 226 L HN 0.202 nan 8.230 nan 0.000 0.433 227 T N -0.624 113.800 114.554 -0.216 0.000 2.665 227 T HA -0.296 4.054 4.350 0.001 0.000 0.268 227 T C 1.776 176.527 174.700 0.085 0.000 1.035 227 T CA 1.957 64.093 62.100 0.060 0.000 1.151 227 T CB -0.180 68.725 68.868 0.062 0.000 0.862 227 T HN 0.419 nan 8.240 nan 0.000 0.438 228 E N 0.544 120.755 120.200 0.017 0.000 2.047 228 E HA -0.171 4.179 4.350 0.001 0.000 0.191 228 E C 2.216 178.818 176.600 0.003 0.000 0.987 228 E CA 0.955 57.359 56.400 0.007 0.000 0.799 228 E CB 0.030 29.716 29.700 -0.023 0.000 0.752 228 E HN 0.367 nan 8.360 nan 0.000 0.449 229 E N -0.297 119.891 120.200 -0.020 0.000 2.153 229 E HA -0.176 4.174 4.350 0.001 0.000 0.194 229 E C 0.878 177.361 176.600 -0.195 0.000 0.988 229 E CA 0.984 57.311 56.400 -0.121 0.000 0.811 229 E CB -0.059 29.537 29.700 -0.174 0.000 0.746 229 E HN 0.486 nan 8.360 nan 0.000 0.466 230 Y N 0.483 120.820 120.300 0.061 0.000 2.708 230 Y HA 0.184 4.734 4.550 0.001 0.000 0.287 230 Y C 0.578 176.534 175.900 0.094 0.000 1.145 230 Y CA -0.350 57.817 58.100 0.112 0.000 1.249 230 Y CB 0.313 38.919 38.460 0.243 0.000 1.152 230 Y HN -0.314 nan 8.280 nan 0.000 0.532 231 K N 0.687 121.175 120.400 0.147 0.000 2.472 231 K HA 0.092 4.412 4.320 0.001 0.000 0.280 231 K C 1.131 177.788 176.600 0.096 0.000 1.028 231 K CA 1.247 57.599 56.287 0.109 0.000 1.045 231 K CB 0.100 32.632 32.500 0.054 0.000 0.902 231 K HN 0.693 nan 8.250 nan 0.000 0.478 232 G N 3.195 112.053 108.800 0.096 0.000 2.162 232 G HA2 -0.307 3.653 3.960 0.001 0.000 0.260 232 G HA3 -0.307 3.653 3.960 0.001 0.000 0.260 232 G C 0.590 175.544 174.900 0.091 0.000 0.976 232 G CA 0.765 45.910 45.100 0.076 0.000 0.655 232 G HN 0.728 nan 8.290 nan 0.000 0.533 233 Q N -1.498 118.384 119.800 0.137 0.000 2.534 233 Q HA 0.306 4.647 4.340 0.001 0.000 0.252 233 Q C 1.174 177.254 176.000 0.134 0.000 0.850 233 Q CA 0.173 56.067 55.803 0.151 0.000 0.974 233 Q CB 0.973 29.842 28.738 0.218 0.000 1.205 233 Q HN 0.471 nan 8.270 nan 0.000 0.593 234 R N 0.450 121.034 120.500 0.140 0.000 2.740 234 R HA 0.386 4.726 4.340 0.001 0.000 0.273 234 R C -1.638 174.660 176.300 -0.003 0.000 0.998 234 R CA -0.704 55.378 56.100 -0.030 0.000 0.900 234 R CB 1.757 31.825 30.300 -0.387 0.000 1.223 234 R HN -0.022 nan 8.270 nan 0.000 0.466 235 D N 1.423 121.737 120.400 -0.143 0.000 2.185 235 D HA 0.410 5.050 4.640 0.001 0.000 0.247 235 D C -0.795 175.302 176.300 -0.339 0.000 1.027 235 D CA -0.026 53.926 54.000 -0.081 0.000 0.861 235 D CB 1.518 42.302 40.800 -0.027 0.000 1.202 235 D HN 0.138 nan 8.370 nan 0.000 0.453 236 F N 0.720 120.661 119.950 -0.015 0.000 2.546 236 F HA 0.367 4.895 4.527 0.001 0.000 0.320 236 F C 0.547 176.346 175.800 -0.001 0.000 1.076 236 F CA -0.640 57.345 58.000 -0.025 0.000 0.928 236 F CB 1.965 40.945 39.000 -0.034 0.000 1.189 236 F HN 0.214 nan 8.300 nan 0.000 0.465 237 Q N 0.149 120.047 119.800 0.163 0.000 2.737 237 Q HA 0.348 4.688 4.340 0.001 0.000 0.307 237 Q C -1.555 174.533 176.000 0.147 0.000 0.905 237 Q CA -1.316 54.564 55.803 0.128 0.000 0.753 237 Q CB 1.790 30.578 28.738 0.085 0.000 1.463 237 Q HN 0.619 nan 8.270 nan 0.000 0.455 238 Q N 0.954 120.865 119.800 0.185 0.000 2.337 238 Q HA 0.217 4.557 4.340 0.001 0.000 0.270 238 Q C -0.501 175.575 176.000 0.127 0.000 1.002 238 Q CA -0.183 55.761 55.803 0.234 0.000 0.888 238 Q CB 0.491 29.381 28.738 0.253 0.000 1.222 238 Q HN 0.567 nan 8.270 nan 0.000 0.400 239 I N 6.891 127.516 120.570 0.092 0.000 2.821 239 I HA -0.091 4.079 4.170 0.001 0.000 0.294 239 I C -1.966 174.179 176.117 0.047 0.000 1.210 239 I CA -1.228 60.101 61.300 0.048 0.000 1.430 239 I CB 0.090 38.088 38.000 -0.003 0.000 1.356 239 I HN 0.468 nan 8.210 nan 0.000 0.563 240 P HA 0.219 nan 4.420 nan 0.000 0.271 240 P C -0.934 176.365 177.300 -0.002 0.000 1.233 240 P CA 0.153 63.265 63.100 0.019 0.000 0.764 240 P CB 0.415 32.113 31.700 -0.003 0.000 0.825 241 L N 2.560 123.792 121.223 0.015 0.000 2.385 241 L HA 0.607 4.947 4.340 0.001 0.000 0.273 241 L C 0.308 177.172 176.870 -0.009 0.000 0.990 241 L CA -1.155 53.688 54.840 0.006 0.000 0.821 241 L CB 2.080 44.208 42.059 0.116 0.000 1.279 241 L HN 0.253 nan 8.230 nan 0.000 0.412 242 A N 3.412 126.182 122.820 -0.084 0.000 2.544 242 A HA 0.738 5.058 4.320 0.001 0.000 0.301 242 A C 0.099 177.700 177.584 0.029 0.000 1.368 242 A CA 0.203 52.228 52.037 -0.020 0.000 1.045 242 A CB -0.352 18.558 19.000 -0.149 0.000 1.129 242 A HN 0.821 nan 8.150 nan 0.000 0.540 243 A N 2.080 124.890 122.820 -0.016 0.000 2.586 243 A HA 0.695 5.015 4.320 0.001 0.000 0.296 243 A C -0.513 176.961 177.584 -0.182 0.000 1.040 243 A CA -0.473 51.456 52.037 -0.180 0.000 0.701 243 A CB 0.618 19.334 19.000 -0.474 0.000 1.277 243 A HN 0.720 nan 8.150 nan 0.000 0.413 244 T N 1.471 115.888 114.554 -0.228 0.000 2.840 244 T HA 0.482 4.833 4.350 0.001 0.000 0.287 244 T C -0.047 174.504 174.700 -0.249 0.000 0.991 244 T CA -0.436 61.557 62.100 -0.178 0.000 0.964 244 T CB 1.250 70.070 68.868 -0.079 0.000 0.954 244 T HN 0.721 nan 8.240 nan 0.000 0.438 245 R N 2.384 122.724 120.500 -0.267 0.000 2.401 245 R HA 0.198 4.538 4.340 0.001 0.000 0.299 245 R C 0.835 177.053 176.300 -0.136 0.000 1.064 245 R CA -0.298 55.644 56.100 -0.264 0.000 1.000 245 R CB 0.349 30.456 30.300 -0.322 0.000 0.973 245 R HN 0.410 nan 8.270 nan 0.000 0.438 246 R N 1.151 121.620 120.500 -0.052 0.000 2.225 246 R HA 0.125 4.466 4.340 0.001 0.000 0.194 246 R C 0.333 176.613 176.300 -0.034 0.000 0.957 246 R CA 0.727 56.820 56.100 -0.013 0.000 1.042 246 R CB 0.243 30.579 30.300 0.059 0.000 1.004 246 R HN 0.756 nan 8.270 nan 0.000 0.509 247 S N -1.406 114.283 115.700 -0.018 0.000 2.672 247 S HA 0.390 4.860 4.470 0.001 0.000 0.271 247 S C -2.601 171.961 174.600 -0.063 0.000 1.171 247 S CA -1.079 57.098 58.200 -0.038 0.000 0.817 247 S CB 2.132 65.326 63.200 -0.009 0.000 1.150 247 S HN -0.254 nan 8.310 nan 0.000 0.478 248 P HA 0.055 nan 4.420 nan 0.000 0.225 248 P C 0.913 178.179 177.300 -0.055 0.000 1.148 248 P CA 1.498 64.546 63.100 -0.087 0.000 0.779 248 P CB -0.232 31.430 31.700 -0.064 0.000 0.780 249 T N -6.468 108.089 114.554 0.004 0.000 3.145 249 T HA 0.327 4.677 4.350 0.001 0.000 0.281 249 T C -0.287 174.481 174.700 0.113 0.000 1.003 249 T CA -0.359 61.769 62.100 0.045 0.000 0.901 249 T CB -0.616 68.295 68.868 0.072 0.000 1.112 249 T HN -0.118 nan 8.240 nan 0.000 0.535 250 F N 1.466 121.357 119.950 -0.098 0.000 2.607 250 F HA 0.628 5.156 4.527 0.001 0.000 0.322 250 F C -1.603 174.071 175.800 -0.210 0.000 1.176 250 F CA -1.039 56.899 58.000 -0.103 0.000 0.977 250 F CB 1.904 40.859 39.000 -0.075 0.000 1.242 250 F HN -0.100 nan 8.300 nan 0.000 0.465 251 V N 5.007 124.546 119.914 -0.625 0.000 2.448 251 V HA 0.290 4.411 4.120 0.001 0.000 0.295 251 V C -0.334 175.224 176.094 -0.892 0.000 1.025 251 V CA -0.838 61.012 62.300 -0.750 0.000 0.859 251 V CB 1.681 32.842 31.823 -1.102 0.000 0.988 251 V HN 0.720 nan 8.190 nan 0.000 0.431 252 E N 4.585 124.530 120.200 -0.425 0.000 1.941 252 E HA 0.149 4.499 4.350 0.001 0.000 0.275 252 E C -0.947 175.474 176.600 -0.298 0.000 1.113 252 E CA -0.551 55.742 56.400 -0.178 0.000 0.878 252 E CB 0.352 30.093 29.700 0.069 0.000 1.070 252 E HN 0.628 nan 8.360 nan 0.000 0.399 253 W N 2.877 124.070 121.300 -0.179 0.000 2.181 253 W HA 0.085 4.745 4.660 0.000 0.000 0.335 253 W C 0.636 177.174 176.519 0.031 0.000 1.310 253 W CA -0.513 56.705 57.345 -0.210 0.000 1.226 253 W CB 0.740 29.819 29.460 -0.634 0.000 1.155 253 W HN 0.307 nan 8.180 nan 0.000 0.565 254 S N 1.534 117.439 115.700 0.343 0.000 2.645 254 S HA 0.658 5.128 4.470 0.001 0.000 0.266 254 S C 0.136 175.171 174.600 0.725 0.000 1.258 254 S CA -0.633 57.840 58.200 0.455 0.000 0.990 254 S CB 1.301 64.780 63.200 0.464 0.000 0.967 254 S HN 0.521 nan 8.310 nan 0.000 0.556 255 S N -0.446 115.627 115.700 0.622 0.000 2.724 255 S HA 0.691 5.162 4.470 0.001 0.000 0.278 255 S C 0.853 175.662 174.600 0.348 0.000 1.190 255 S CA -0.310 58.199 58.200 0.514 0.000 0.860 255 S CB 0.436 63.866 63.200 0.382 0.000 1.206 255 S HN 0.735 nan 8.310 nan 0.000 0.507 256 A N 1.698 124.614 122.820 0.160 0.000 1.903 256 A HA -0.210 4.110 4.320 0.001 0.000 0.219 256 A C 2.016 179.657 177.584 0.095 0.000 1.191 256 A CA 2.275 54.364 52.037 0.087 0.000 0.638 256 A CB -1.613 17.408 19.000 0.035 0.000 0.823 256 A HN 0.867 nan 8.150 nan 0.000 0.451 257 N N -0.633 118.130 118.700 0.105 0.000 2.205 257 N HA -0.149 4.592 4.740 0.001 0.000 0.186 257 N C 1.535 177.080 175.510 0.059 0.000 1.015 257 N CA 1.998 55.083 53.050 0.058 0.000 0.862 257 N CB -0.247 38.286 38.487 0.076 0.000 0.986 257 N HN 0.485 nan 8.380 nan 0.000 0.429 258 T N 0.538 115.176 114.554 0.140 0.000 2.746 258 T HA -0.062 4.288 4.350 0.001 0.000 0.267 258 T C 2.088 176.836 174.700 0.079 0.000 1.039 258 T CA 1.287 63.472 62.100 0.142 0.000 1.142 258 T CB -0.252 68.774 68.868 0.264 0.000 0.866 258 T HN 0.063 nan 8.240 nan 0.000 0.444 259 V N -0.387 119.563 119.914 0.061 0.000 2.358 259 V HA 0.133 4.253 4.120 0.001 0.000 0.246 259 V C 0.563 176.640 176.094 -0.028 0.000 1.047 259 V CA 0.960 63.225 62.300 -0.059 0.000 1.035 259 V CB -0.459 31.278 31.823 -0.143 0.000 0.658 259 V HN 0.483 nan 8.190 nan 0.000 0.452 260 F N 1.063 120.904 119.950 -0.181 0.000 2.604 260 F HA 0.411 4.938 4.527 0.001 0.000 0.316 260 F C 0.266 175.961 175.800 -0.175 0.000 1.136 260 F CA -1.647 56.216 58.000 -0.229 0.000 0.989 260 F CB 1.473 40.286 39.000 -0.312 0.000 1.258 260 F HN 0.138 nan 8.300 nan 0.000 0.451 261 D N 4.702 124.646 120.400 -0.761 0.000 2.371 261 D HA -0.059 4.581 4.640 0.001 0.000 0.221 261 D C 1.124 177.131 176.300 -0.489 0.000 0.986 261 D CA 1.153 54.852 54.000 -0.501 0.000 0.899 261 D CB -0.068 40.510 40.800 -0.371 0.000 0.902 261 D HN 0.681 nan 8.370 nan 0.000 0.530 262 L N -1.850 118.898 121.223 -0.791 0.000 4.496 262 L HA -0.234 4.106 4.340 0.001 0.000 0.419 262 L C -0.274 176.563 176.870 -0.055 0.000 1.139 262 L CA 0.408 55.094 54.840 -0.255 0.000 0.975 262 L CB -1.341 40.716 42.059 -0.004 0.000 2.099 262 L HN 0.243 nan 8.230 nan 0.000 0.818 263 Q N 0.740 120.412 119.800 -0.213 0.000 2.293 263 Q HA 0.292 4.632 4.340 0.001 0.000 0.251 263 Q C 0.353 176.412 176.000 0.099 0.000 0.930 263 Q CA -0.342 55.426 55.803 -0.059 0.000 0.893 263 Q CB 0.846 29.516 28.738 -0.114 0.000 1.215 263 Q HN 0.118 nan 8.270 nan 0.000 0.425 264 N N 1.862 120.618 118.700 0.092 0.000 2.454 264 N HA 0.067 4.807 4.740 0.001 0.000 0.254 264 N C -0.276 175.302 175.510 0.112 0.000 1.228 264 N CA 0.450 53.562 53.050 0.103 0.000 0.900 264 N CB 0.578 39.035 38.487 -0.051 0.000 1.089 264 N HN 0.256 nan 8.380 nan 0.000 0.449 265 R N 1.250 121.847 120.500 0.161 0.000 2.807 265 R HA 0.493 4.833 4.340 0.001 0.000 0.276 265 R C -2.403 173.959 176.300 0.103 0.000 0.979 265 R CA -1.631 54.548 56.100 0.132 0.000 0.928 265 R CB 1.754 32.159 30.300 0.174 0.000 1.191 265 R HN 0.398 nan 8.270 nan 0.000 0.471 266 P HA 0.052 nan 4.420 nan 0.000 0.271 266 P C -1.342 176.015 177.300 0.095 0.000 1.218 266 P CA -0.118 63.078 63.100 0.159 0.000 0.780 266 P CB 0.659 32.515 31.700 0.260 0.000 0.901 267 N N -0.560 118.184 118.700 0.072 0.000 2.972 267 N HA 0.236 4.976 4.740 0.001 0.000 0.262 267 N C 0.550 176.076 175.510 0.027 0.000 1.478 267 N CA -0.740 52.333 53.050 0.038 0.000 0.841 267 N CB -0.528 37.970 38.487 0.018 0.000 1.512 267 N HN 0.054 nan 8.380 nan 0.000 0.548 268 T N -0.755 113.806 114.554 0.011 0.000 2.833 268 T HA -0.073 4.277 4.350 0.001 0.000 0.269 268 T C 0.278 174.979 174.700 0.001 0.000 1.054 268 T CA 1.515 63.617 62.100 0.005 0.000 1.135 268 T CB -0.397 68.469 68.868 -0.002 0.000 0.869 268 T HN 0.523 nan 8.240 nan 0.000 0.466 269 D N 1.131 121.529 120.400 -0.004 0.000 2.289 269 D HA 0.188 4.828 4.640 0.001 0.000 0.207 269 D C 0.842 177.143 176.300 0.001 0.000 0.966 269 D CA 0.367 54.362 54.000 -0.009 0.000 0.868 269 D CB 0.237 41.022 40.800 -0.024 0.000 0.943 269 D HN 0.375 nan 8.370 nan 0.000 0.514 270 A N 1.564 124.394 122.820 0.016 0.000 3.216 270 A HA 0.360 4.681 4.320 0.001 0.000 0.321 270 A C -2.033 175.595 177.584 0.073 0.000 1.042 270 A CA -0.942 51.119 52.037 0.040 0.000 0.838 270 A CB 1.050 20.075 19.000 0.041 0.000 1.136 270 A HN -0.169 nan 8.150 nan 0.000 0.483 271 P HA -0.036 nan 4.420 nan 0.000 0.229 271 P C 0.523 177.900 177.300 0.127 0.000 1.160 271 P CA 1.144 64.286 63.100 0.069 0.000 0.777 271 P CB 0.366 32.075 31.700 0.016 0.000 0.814 272 E N -0.718 119.577 120.200 0.158 0.000 2.538 272 E HA 0.118 4.468 4.350 0.001 0.000 0.207 272 E C 0.121 176.968 176.600 0.412 0.000 1.002 272 E CA -0.111 56.457 56.400 0.280 0.000 0.952 272 E CB 0.343 30.115 29.700 0.120 0.000 1.031 272 E HN 0.412 nan 8.360 nan 0.000 0.476 273 E N 0.995 121.359 120.200 0.272 0.000 2.250 273 E HA 0.448 4.798 4.350 0.001 0.000 0.269 273 E C -0.308 176.353 176.600 0.103 0.000 1.018 273 E CA -0.561 55.937 56.400 0.163 0.000 0.873 273 E CB 1.414 31.193 29.700 0.132 0.000 1.134 273 E HN -0.094 nan 8.360 nan 0.000 0.403 274 R N 1.954 122.469 120.500 0.025 0.000 2.500 274 R HA 0.412 4.752 4.340 0.001 0.000 0.299 274 R C -1.592 174.787 176.300 0.132 0.000 1.038 274 R CA -0.524 55.556 56.100 -0.034 0.000 0.903 274 R CB 0.975 31.115 30.300 -0.267 0.000 1.177 274 R HN 0.409 nan 8.270 nan 0.000 0.455 275 F N 2.097 122.033 119.950 -0.023 0.000 2.615 275 F HA 0.457 4.985 4.527 0.001 0.000 0.312 275 F C -1.672 174.068 175.800 -0.099 0.000 1.119 275 F CA -0.672 57.308 58.000 -0.034 0.000 0.979 275 F CB 2.112 41.153 39.000 0.069 0.000 1.266 275 F HN 0.372 nan 8.300 nan 0.000 0.444 276 N N 4.594 122.666 118.700 -1.047 0.000 2.295 276 N HA 0.589 5.329 4.740 0.001 0.000 0.293 276 N C -2.001 172.496 175.510 -1.689 0.000 1.040 276 N CA -0.636 51.708 53.050 -1.177 0.000 0.840 276 N CB 2.399 40.373 38.487 -0.855 0.000 1.468 276 N HN 0.611 nan 8.380 nan 0.000 0.478 277 L N 2.268 122.707 121.223 -1.307 0.000 2.295 277 L HA 0.654 4.994 4.340 0.001 0.000 0.285 277 L C -1.635 174.655 176.870 -0.966 0.000 1.035 277 L CA -0.246 54.042 54.840 -0.919 0.000 0.806 277 L CB 0.236 42.117 42.059 -0.296 0.000 1.214 277 L HN 0.458 nan 8.230 nan 0.000 0.426 278 F N 6.262 125.960 119.950 -0.419 0.000 2.359 278 F HA 0.542 5.069 4.527 0.000 0.000 0.370 278 F C -2.140 173.592 175.800 -0.113 0.000 1.077 278 F CA -2.067 55.777 58.000 -0.260 0.000 1.136 278 F CB 0.699 39.519 39.000 -0.299 0.000 1.387 278 F HN 0.420 nan 8.300 nan 0.000 0.468 279 P HA 0.302 nan 4.420 nan 0.000 0.274 279 P C 0.042 177.380 177.300 0.065 0.000 1.256 279 P CA -0.071 63.056 63.100 0.044 0.000 0.795 279 P CB 0.938 32.647 31.700 0.015 0.000 1.038 280 A N -1.192 121.650 122.820 0.038 0.000 2.822 280 A HA -0.111 4.210 4.320 0.001 0.000 0.287 280 A C -0.018 177.568 177.584 0.004 0.000 1.479 280 A CA 0.734 52.783 52.037 0.020 0.000 0.779 280 A CB -2.453 16.562 19.000 0.024 0.000 1.022 280 A HN 0.250 nan 8.150 nan 0.000 0.532 281 V N -0.196 119.733 119.914 0.025 0.000 2.376 281 V HA 0.661 4.781 4.120 0.001 0.000 0.287 281 V C 0.638 176.703 176.094 -0.049 0.000 1.015 281 V CA -0.307 61.993 62.300 0.002 0.000 0.834 281 V CB 1.420 33.311 31.823 0.114 0.000 1.001 281 V HN 1.447 nan 8.190 nan 0.000 0.428 282 A N 4.307 127.076 122.820 -0.086 0.000 2.347 282 A HA 0.430 4.751 4.320 0.001 0.000 0.287 282 A C 0.177 177.715 177.584 -0.078 0.000 1.199 282 A CA -0.146 51.834 52.037 -0.095 0.000 0.851 282 A CB -0.151 18.849 19.000 0.001 0.000 1.118 282 A HN 0.860 nan 8.150 nan 0.000 0.525 283 C N 2.753 121.985 119.300 -0.114 0.000 2.415 283 C HA 0.344 4.804 4.460 0.001 0.000 0.369 283 C C 1.383 176.336 174.990 -0.061 0.000 1.279 283 C CA -0.231 58.714 59.018 -0.122 0.000 1.886 283 C CB -0.249 27.410 27.740 -0.134 0.000 2.468 283 C HN 1.011 nan 8.230 nan 0.000 0.553 284 E N 0.791 120.991 120.200 -0.001 0.000 2.364 284 E HA 0.164 4.514 4.350 0.001 0.000 0.203 284 E C 0.285 176.895 176.600 0.016 0.000 0.888 284 E CA 0.313 56.739 56.400 0.044 0.000 0.989 284 E CB 0.580 30.380 29.700 0.166 0.000 0.985 284 E HN 0.607 nan 8.360 nan 0.000 0.499 285 R N 0.558 121.076 120.500 0.029 0.000 2.634 285 R HA 0.287 4.627 4.340 0.001 0.000 0.263 285 R C -1.267 175.021 176.300 -0.019 0.000 1.060 285 R CA -0.507 55.589 56.100 -0.007 0.000 0.898 285 R CB 2.391 32.677 30.300 -0.023 0.000 1.253 285 R HN -0.072 nan 8.270 nan 0.000 0.461 286 V N -0.636 119.246 119.914 -0.053 0.000 2.547 286 V HA 0.668 4.789 4.120 0.001 0.000 0.299 286 V C -0.148 175.894 176.094 -0.087 0.000 1.040 286 V CA -0.776 61.454 62.300 -0.117 0.000 0.913 286 V CB 1.865 33.571 31.823 -0.194 0.000 0.992 286 V HN 0.392 nan 8.190 nan 0.000 0.449 287 V N 4.862 124.706 119.914 -0.116 0.000 2.350 287 V HA 0.476 4.596 4.120 0.001 0.000 0.276 287 V C 0.539 176.603 176.094 -0.050 0.000 1.028 287 V CA -0.500 61.758 62.300 -0.069 0.000 0.860 287 V CB 0.968 32.764 31.823 -0.045 0.000 0.990 287 V HN 0.929 nan 8.190 nan 0.000 0.453 288 R N 3.758 124.251 120.500 -0.012 0.000 2.441 288 R HA 0.271 4.612 4.340 0.001 0.000 0.284 288 R C 0.410 176.744 176.300 0.056 0.000 1.070 288 R CA -0.538 55.617 56.100 0.091 0.000 1.047 288 R CB 0.639 30.974 30.300 0.059 0.000 1.016 288 R HN 0.878 nan 8.270 nan 0.000 0.477 289 N N 1.652 120.399 118.700 0.078 0.000 2.326 289 N HA -0.041 4.699 4.740 0.001 0.000 0.239 289 N C 0.512 176.021 175.510 -0.003 0.000 1.301 289 N CA 0.279 53.343 53.050 0.024 0.000 0.909 289 N CB 0.481 38.979 38.487 0.018 0.000 1.156 289 N HN 0.573 nan 8.380 nan 0.000 0.462 290 A N 0.469 123.278 122.820 -0.018 0.000 2.015 290 A HA -0.016 4.304 4.320 0.001 0.000 0.219 290 A C 2.224 179.780 177.584 -0.047 0.000 1.163 290 A CA 0.725 52.744 52.037 -0.030 0.000 0.646 290 A CB -0.745 18.241 19.000 -0.024 0.000 0.806 290 A HN 0.667 nan 8.150 nan 0.000 0.448 291 L N -0.909 120.278 121.223 -0.060 0.000 2.362 291 L HA -0.118 4.222 4.340 0.001 0.000 0.219 291 L C 0.142 176.915 176.870 -0.162 0.000 1.134 291 L CA 0.365 55.150 54.840 -0.093 0.000 0.807 291 L CB -0.594 41.409 42.059 -0.094 0.000 0.927 291 L HN 0.441 nan 8.230 nan 0.000 0.447 292 N N 0.128 118.718 118.700 -0.183 0.000 2.725 292 N HA -0.176 4.564 4.740 0.001 0.000 0.251 292 N C 0.909 175.818 175.510 -1.001 0.000 1.031 292 N CA 1.036 53.864 53.050 -0.370 0.000 0.720 292 N CB -1.123 37.283 38.487 -0.136 0.000 0.930 292 N HN 0.549 nan 8.380 nan 0.000 0.543 293 S N -1.994 113.278 115.700 -0.714 0.000 2.632 293 S HA 0.259 4.729 4.470 0.001 0.000 0.237 293 S C 0.290 174.686 174.600 -0.340 0.000 1.037 293 S CA -0.128 57.722 58.200 -0.583 0.000 1.009 293 S CB 1.584 64.640 63.200 -0.240 0.000 0.974 293 S HN 0.399 nan 8.310 nan 0.000 0.544 294 E N 0.162 120.293 120.200 -0.115 0.000 2.380 294 E HA 0.406 4.757 4.350 0.001 0.000 0.281 294 E C -1.777 175.008 176.600 0.310 0.000 0.999 294 E CA -0.823 55.700 56.400 0.203 0.000 0.800 294 E CB 1.321 31.095 29.700 0.124 0.000 1.228 294 E HN 0.102 nan 8.360 nan 0.000 0.436 295 I N 3.343 124.048 120.570 0.226 0.000 2.396 295 I HA 0.159 4.330 4.170 0.001 0.000 0.292 295 I C 0.785 176.840 176.117 -0.103 0.000 0.999 295 I CA -0.012 61.250 61.300 -0.064 0.000 1.310 295 I CB 1.370 39.120 38.000 -0.417 0.000 1.404 295 I HN 0.674 nan 8.210 nan 0.000 0.496 296 E N 3.094 123.230 120.200 -0.106 0.000 2.413 296 E HA 0.094 4.445 4.350 0.001 0.000 0.203 296 E C 0.229 176.856 176.600 0.046 0.000 0.957 296 E CA 0.333 56.744 56.400 0.018 0.000 0.950 296 E CB 0.614 30.336 29.700 0.036 0.000 0.957 296 E HN 0.704 nan 8.360 nan 0.000 0.497 297 S N -0.293 115.354 115.700 -0.087 0.000 2.615 297 S HA 0.526 4.997 4.470 0.001 0.000 0.268 297 S C -1.496 173.080 174.600 -0.040 0.000 1.146 297 S CA -1.077 57.155 58.200 0.054 0.000 0.818 297 S CB 1.403 64.653 63.200 0.083 0.000 1.111 297 S HN 0.018 nan 8.310 nan 0.000 0.465 298 L N 1.859 123.149 121.223 0.112 0.000 2.333 298 L HA 0.682 5.023 4.340 0.001 0.000 0.280 298 L C -0.838 176.034 176.870 0.003 0.000 1.004 298 L CA -0.186 54.677 54.840 0.038 0.000 0.820 298 L CB 1.320 43.424 42.059 0.076 0.000 1.247 298 L HN 1.018 nan 8.230 nan 0.000 0.416 299 H N 5.289 124.316 119.070 -0.072 0.000 2.604 299 H HA 0.633 5.189 4.556 0.001 0.000 0.306 299 H C -0.549 174.728 175.328 -0.084 0.000 1.075 299 H CA -0.259 55.755 56.048 -0.057 0.000 1.357 299 H CB 0.739 30.473 29.762 -0.046 0.000 1.426 299 H HN 0.676 nan 8.280 nan 0.000 0.470 300 I N 1.546 121.802 120.570 -0.523 0.000 2.846 300 I HA 0.408 4.578 4.170 0.001 0.000 0.307 300 I C -1.040 174.958 176.117 -0.197 0.000 1.053 300 I CA -1.016 60.086 61.300 -0.331 0.000 1.050 300 I CB 2.423 40.170 38.000 -0.422 0.000 1.239 300 I HN 0.641 nan 8.210 nan 0.000 0.439 301 H N 3.424 122.411 119.070 -0.139 0.000 2.646 301 H HA 0.238 4.795 4.556 0.000 0.000 0.328 301 H C -1.419 173.924 175.328 0.027 0.000 0.998 301 H CA -0.696 55.335 56.048 -0.027 0.000 1.225 301 H CB 1.516 31.289 29.762 0.019 0.000 1.457 301 H HN 0.763 nan 8.280 nan 0.000 0.505 302 D N 5.765 126.169 120.400 0.007 0.000 2.338 302 D HA 0.003 4.644 4.640 0.001 0.000 0.255 302 D C 1.172 177.305 176.300 -0.279 0.000 1.237 302 D CA -0.100 53.859 54.000 -0.067 0.000 0.883 302 D CB 0.978 41.850 40.800 0.120 0.000 1.087 302 D HN 0.687 nan 8.370 nan 0.000 0.485 303 L N 4.115 125.171 121.223 -0.277 0.000 2.376 303 L HA -0.109 4.231 4.340 0.001 0.000 0.219 303 L C 1.847 178.668 176.870 -0.083 0.000 1.133 303 L CA 0.147 54.835 54.840 -0.252 0.000 0.816 303 L CB -0.047 41.949 42.059 -0.104 0.000 0.933 303 L HN 0.510 nan 8.230 nan 0.000 0.449 304 I N -0.501 120.050 120.570 -0.033 0.000 2.385 304 I HA -0.133 4.037 4.170 0.001 0.000 0.244 304 I C 2.750 178.886 176.117 0.032 0.000 1.089 304 I CA 1.594 62.901 61.300 0.011 0.000 1.410 304 I CB -1.215 36.799 38.000 0.023 0.000 1.117 304 I HN 0.249 nan 8.210 nan 0.000 0.429 305 S N 0.432 116.164 115.700 0.053 0.000 2.436 305 S HA 0.096 4.567 4.470 0.001 0.000 0.228 305 S C 1.851 176.507 174.600 0.093 0.000 1.014 305 S CA 0.864 59.114 58.200 0.083 0.000 0.950 305 S CB -0.067 63.213 63.200 0.133 0.000 0.784 305 S HN 0.603 nan 8.310 nan 0.000 0.504 306 G N 0.899 109.759 108.800 0.101 0.000 2.199 306 G HA2 -0.193 3.767 3.960 0.001 0.000 0.254 306 G HA3 -0.193 3.767 3.960 0.001 0.000 0.254 306 G C -0.397 174.659 174.900 0.261 0.000 0.982 306 G CA 0.175 45.398 45.100 0.205 0.000 0.632 306 G HN 0.565 nan 8.290 nan 0.000 0.529 307 D N 0.468 120.980 120.400 0.188 0.000 2.304 307 D HA 0.531 5.171 4.640 0.001 0.000 0.247 307 D C 0.897 177.245 176.300 0.080 0.000 1.089 307 D CA 0.006 54.031 54.000 0.041 0.000 0.910 307 D CB 0.686 41.417 40.800 -0.115 0.000 1.199 307 D HN 0.351 nan 8.370 nan 0.000 0.426 308 R N 1.106 121.505 120.500 -0.169 0.000 2.532 308 R HA 0.616 4.957 4.340 0.001 0.000 0.295 308 R C -0.633 175.410 176.300 -0.429 0.000 0.968 308 R CA -0.566 55.441 56.100 -0.155 0.000 0.916 308 R CB 1.150 31.407 30.300 -0.072 0.000 1.124 308 R HN 0.320 nan 8.270 nan 0.000 0.463 309 F N -0.200 119.601 119.950 -0.248 0.000 2.664 309 F HA 0.366 4.894 4.527 0.000 0.000 0.317 309 F C 0.120 175.779 175.800 -0.235 0.000 1.108 309 F CA -1.075 56.819 58.000 -0.176 0.000 0.957 309 F CB 1.920 40.830 39.000 -0.149 0.000 1.365 309 F HN 0.162 nan 8.300 nan 0.000 0.475 310 E N 2.111 122.377 120.200 0.109 0.000 2.183 310 E HA 0.493 4.843 4.350 0.001 0.000 0.271 310 E C -1.080 175.562 176.600 0.071 0.000 0.919 310 E CA -0.530 55.913 56.400 0.071 0.000 0.781 310 E CB 2.725 32.492 29.700 0.112 0.000 1.140 310 E HN 0.307 nan 8.360 nan 0.000 0.402 311 I N 2.018 122.615 120.570 0.046 0.000 2.474 311 I HA 0.318 4.488 4.170 0.001 0.000 0.294 311 I C 0.227 176.454 176.117 0.183 0.000 1.005 311 I CA -0.729 60.626 61.300 0.091 0.000 1.113 311 I CB 1.562 39.565 38.000 0.006 0.000 1.289 311 I HN 0.147 nan 8.210 nan 0.000 0.436 312 K N 4.203 124.717 120.400 0.190 0.000 2.182 312 K HA 0.838 5.158 4.320 0.001 0.000 0.262 312 K C -0.898 175.783 176.600 0.134 0.000 0.957 312 K CA -0.421 55.986 56.287 0.200 0.000 0.842 312 K CB 2.769 35.350 32.500 0.135 0.000 1.099 312 K HN 0.835 nan 8.250 nan 0.000 0.438 313 A N 2.169 125.004 122.820 0.025 0.000 2.587 313 A HA 0.337 4.658 4.320 0.001 0.000 0.293 313 A C -0.267 177.204 177.584 -0.188 0.000 1.087 313 A CA -0.623 51.288 52.037 -0.210 0.000 0.692 313 A CB 0.996 19.672 19.000 -0.541 0.000 1.291 313 A HN 0.661 nan 8.150 nan 0.000 0.407 314 D N -0.379 119.947 120.400 -0.122 0.000 2.183 314 D HA 0.099 4.739 4.640 0.001 0.000 0.203 314 D C 0.295 176.484 176.300 -0.185 0.000 0.969 314 D CA 1.617 55.601 54.000 -0.026 0.000 0.842 314 D CB 0.199 41.042 40.800 0.072 0.000 0.957 314 D HN 0.212 nan 8.370 nan 0.000 0.484 315 V N 0.757 120.417 119.914 -0.423 0.000 2.638 315 V HA 0.262 4.382 4.120 0.001 0.000 0.306 315 V C -1.331 174.488 176.094 -0.458 0.000 1.052 315 V CA -0.879 61.168 62.300 -0.422 0.000 0.885 315 V CB 1.848 33.305 31.823 -0.610 0.000 0.999 315 V HN -0.072 nan 8.190 nan 0.000 0.424 316 Y N 3.089 123.362 120.300 -0.045 0.000 2.341 316 Y HA 0.702 5.252 4.550 0.001 0.000 0.338 316 Y C -0.104 175.754 175.900 -0.071 0.000 0.965 316 Y CA -0.964 57.102 58.100 -0.057 0.000 1.108 316 Y CB 2.141 40.572 38.460 -0.048 0.000 1.180 316 Y HN 0.353 nan 8.280 nan 0.000 0.458 317 V N 5.524 125.396 119.914 -0.069 0.000 2.444 317 V HA 0.397 4.517 4.120 0.001 0.000 0.294 317 V C -0.471 175.486 176.094 -0.228 0.000 1.022 317 V CA -0.913 61.236 62.300 -0.251 0.000 0.850 317 V CB 1.602 33.060 31.823 -0.609 0.000 0.992 317 V HN 0.600 nan 8.190 nan 0.000 0.426 318 L N 5.139 126.228 121.223 -0.223 0.000 2.280 318 L HA 0.588 4.929 4.340 0.001 0.000 0.287 318 L C 0.370 177.135 176.870 -0.175 0.000 1.023 318 L CA -0.156 54.574 54.840 -0.184 0.000 0.819 318 L CB 1.698 43.631 42.059 -0.211 0.000 1.212 318 L HN 0.828 nan 8.230 nan 0.000 0.420 319 T N -1.484 113.002 114.554 -0.113 0.000 3.741 319 T HA 0.371 4.721 4.350 0.001 0.000 0.242 319 T C 0.544 175.246 174.700 0.003 0.000 1.042 319 T CA -0.111 61.962 62.100 -0.045 0.000 1.278 319 T CB 0.977 69.816 68.868 -0.049 0.000 0.994 319 T HN 0.531 nan 8.240 nan 0.000 0.594 320 A N 0.752 123.584 122.820 0.020 0.000 2.345 320 A HA 0.791 5.111 4.320 0.001 0.000 0.225 320 A C 1.381 179.040 177.584 0.125 0.000 1.243 320 A CA 0.075 52.146 52.037 0.057 0.000 0.875 320 A CB -0.686 18.343 19.000 0.047 0.000 0.929 320 A HN 1.766 nan 8.150 nan 0.000 0.502 321 G N -2.367 106.504 108.800 0.118 0.000 2.699 321 G HA2 0.250 4.210 3.960 0.001 0.000 0.686 321 G HA3 0.250 4.210 3.960 0.001 0.000 0.686 321 G C 0.768 175.769 174.900 0.169 0.000 1.301 321 G CA -0.314 44.868 45.100 0.137 0.000 0.816 321 G HN 1.304 nan 8.290 nan 0.000 0.595 322 A N -0.398 122.511 122.820 0.149 0.000 1.972 322 A HA 0.219 4.540 4.320 0.001 0.000 0.219 322 A C 2.613 180.288 177.584 0.153 0.000 1.169 322 A CA 3.145 55.273 52.037 0.151 0.000 0.635 322 A CB -0.280 18.776 19.000 0.094 0.000 0.810 322 A HN 1.573 nan 8.150 nan 0.000 0.446 323 V N -1.166 118.788 119.914 0.067 0.000 2.379 323 V HA -0.167 3.953 4.120 0.001 0.000 0.243 323 V C 2.184 178.282 176.094 0.007 0.000 1.035 323 V CA 2.054 64.352 62.300 -0.004 0.000 1.035 323 V CB -0.957 30.746 31.823 -0.199 0.000 0.673 323 V HN 0.730 nan 8.190 nan 0.000 0.457 324 H N -0.227 118.916 119.070 0.122 0.000 2.470 324 H HA -0.004 4.553 4.556 0.001 0.000 0.289 324 H C 2.248 177.571 175.328 -0.009 0.000 1.033 324 H CA 0.907 56.983 56.048 0.047 0.000 1.331 324 H CB 0.133 29.904 29.762 0.016 0.000 1.414 324 H HN 0.317 nan 8.280 nan 0.000 0.545 325 N N -0.064 118.708 118.700 0.119 0.000 2.120 325 N HA -0.121 4.620 4.740 0.001 0.000 0.188 325 N C 1.747 177.231 175.510 -0.043 0.000 1.024 325 N CA 1.756 54.800 53.050 -0.011 0.000 0.852 325 N CB -0.503 37.931 38.487 -0.089 0.000 1.003 325 N HN 0.325 nan 8.380 nan 0.000 0.424 326 T N 0.786 115.390 114.554 0.083 0.000 2.788 326 T HA -0.169 4.181 4.350 0.001 0.000 0.268 326 T C 1.837 176.389 174.700 -0.247 0.000 1.044 326 T CA 1.108 63.256 62.100 0.080 0.000 1.139 326 T CB -0.135 68.937 68.868 0.340 0.000 0.867 326 T HN 0.365 nan 8.240 nan 0.000 0.454 327 Q N 0.108 119.660 119.800 -0.413 0.000 2.046 327 Q HA -0.071 4.270 4.340 0.001 0.000 0.200 327 Q C 2.319 178.047 176.000 -0.454 0.000 0.975 327 Q CA 0.947 56.182 55.803 -0.947 0.000 0.836 327 Q CB -0.221 28.276 28.738 -0.402 0.000 0.896 327 Q HN 0.348 nan 8.270 nan 0.000 0.428 328 L N 0.862 121.954 121.223 -0.220 0.000 2.042 328 L HA -0.170 4.170 4.340 0.001 0.000 0.210 328 L C 2.057 178.843 176.870 -0.140 0.000 1.076 328 L CA 1.622 56.372 54.840 -0.150 0.000 0.749 328 L CB -0.657 41.335 42.059 -0.111 0.000 0.893 328 L HN 0.307 nan 8.230 nan 0.000 0.432 329 L N -1.975 119.147 121.223 -0.167 0.000 2.056 329 L HA -0.189 4.151 4.340 0.001 0.000 0.207 329 L C 2.391 179.294 176.870 0.055 0.000 1.078 329 L CA 0.943 55.716 54.840 -0.112 0.000 0.749 329 L CB -0.635 41.249 42.059 -0.292 0.000 0.901 329 L HN 0.073 nan 8.230 nan 0.000 0.433 330 V N -0.163 119.711 119.914 -0.065 0.000 2.515 330 V HA -0.240 3.880 4.120 0.001 0.000 0.250 330 V C 2.052 178.126 176.094 -0.034 0.000 1.058 330 V CA 1.805 64.094 62.300 -0.018 0.000 1.064 330 V CB -0.729 31.045 31.823 -0.082 0.000 0.675 330 V HN 0.475 nan 8.190 nan 0.000 0.461 331 N N 0.109 118.746 118.700 -0.104 0.000 2.520 331 N HA -0.098 4.642 4.740 0.001 0.000 0.185 331 N C 1.488 176.977 175.510 -0.035 0.000 1.068 331 N CA 1.125 54.133 53.050 -0.069 0.000 0.911 331 N CB -0.018 38.415 38.487 -0.090 0.000 0.961 331 N HN 0.409 nan 8.380 nan 0.000 0.446 332 S N -1.719 113.986 115.700 0.008 0.000 2.539 332 S HA 0.344 4.814 4.470 0.001 0.000 0.221 332 S C 0.983 175.555 174.600 -0.046 0.000 0.987 332 S CA 0.164 58.374 58.200 0.016 0.000 0.929 332 S CB 0.807 64.075 63.200 0.112 0.000 0.832 332 S HN 0.492 nan 8.310 nan 0.000 0.492 333 G N 1.255 110.034 108.800 -0.035 0.000 2.144 333 G HA2 -0.222 3.738 3.960 0.001 0.000 0.218 333 G HA3 -0.222 3.738 3.960 0.001 0.000 0.218 333 G C -0.105 174.688 174.900 -0.178 0.000 0.988 333 G CA -0.604 44.429 45.100 -0.111 0.000 0.659 333 G HN 0.406 nan 8.290 nan 0.000 0.522 334 F N 0.841 120.767 119.950 -0.040 0.000 2.382 334 F HA 0.535 5.062 4.527 0.000 0.000 0.331 334 F C 1.620 177.432 175.800 0.019 0.000 1.121 334 F CA 1.012 59.002 58.000 -0.018 0.000 1.183 334 F CB 0.973 39.934 39.000 -0.064 0.000 1.207 334 F HN 0.766 nan 8.300 nan 0.000 0.555 335 G N 1.898 110.844 108.800 0.243 0.000 2.564 335 G HA2 -0.298 3.662 3.960 0.001 0.000 0.273 335 G HA3 -0.298 3.662 3.960 0.001 0.000 0.273 335 G C -0.759 174.217 174.900 0.126 0.000 1.242 335 G CA -0.151 45.057 45.100 0.180 0.000 0.951 335 G HN 0.796 nan 8.290 nan 0.000 0.564 336 Q N -0.913 118.966 119.800 0.132 0.000 2.292 336 Q HA 0.601 4.942 4.340 0.001 0.000 0.270 336 Q C -0.706 175.377 176.000 0.139 0.000 1.024 336 Q CA -0.982 54.878 55.803 0.095 0.000 0.768 336 Q CB 1.596 30.370 28.738 0.059 0.000 1.250 336 Q HN 0.756 nan 8.270 nan 0.000 0.447 337 L N 3.717 125.013 121.223 0.121 0.000 2.426 337 L HA 0.648 4.988 4.340 0.001 0.000 0.271 337 L C 0.369 177.318 176.870 0.131 0.000 1.169 337 L CA 1.913 56.851 54.840 0.163 0.000 0.836 337 L CB 0.790 42.920 42.059 0.118 0.000 1.112 337 L HN 0.823 nan 8.230 nan 0.000 0.465 338 G N 3.687 112.617 108.800 0.217 0.000 2.710 338 G HA2 -0.200 3.760 3.960 0.001 0.000 0.668 338 G HA3 -0.200 3.760 3.960 0.001 0.000 0.668 338 G C -0.572 174.175 174.900 -0.255 0.000 1.320 338 G CA -0.259 44.905 45.100 0.107 0.000 0.860 338 G HN 0.923 nan 8.290 nan 0.000 0.538 339 R N 0.763 120.883 120.500 -0.633 0.000 2.522 339 R HA 0.372 4.712 4.340 0.001 0.000 0.284 339 R C -1.882 173.945 176.300 -0.788 0.000 1.032 339 R CA -0.634 54.653 56.100 -1.354 0.000 1.049 339 R CB -0.033 29.808 30.300 -0.765 0.000 0.956 339 R HN 0.349 nan 8.270 nan 0.000 0.422 340 P HA -0.123 nan 4.420 nan 0.000 0.263 340 P C -1.286 175.853 177.300 -0.268 0.000 1.175 340 P CA 0.635 63.487 63.100 -0.413 0.000 0.761 340 P CB 0.328 31.819 31.700 -0.347 0.000 0.794 341 N N 3.720 122.319 118.700 -0.168 0.000 2.581 341 N HA 0.166 4.906 4.740 0.001 0.000 0.279 341 N C -1.963 173.502 175.510 -0.075 0.000 1.124 341 N CA -1.864 51.117 53.050 -0.116 0.000 0.833 341 N CB 1.486 39.913 38.487 -0.100 0.000 1.338 341 N HN 0.134 nan 8.380 nan 0.000 0.533 342 P HA -0.033 nan 4.420 nan 0.000 0.223 342 P C 0.965 178.246 177.300 -0.030 0.000 1.151 342 P CA 0.574 63.648 63.100 -0.042 0.000 0.787 342 P CB 0.222 31.897 31.700 -0.041 0.000 0.788 343 A N -0.355 122.445 122.820 -0.034 0.000 2.248 343 A HA -0.090 4.230 4.320 0.001 0.000 0.210 343 A C 1.267 178.838 177.584 -0.021 0.000 1.174 343 A CA 0.683 52.705 52.037 -0.025 0.000 0.750 343 A CB -1.045 17.939 19.000 -0.028 0.000 0.780 343 A HN 0.284 nan 8.150 nan 0.000 0.478 344 N N -0.250 118.436 118.700 -0.023 0.000 2.732 344 N HA 0.174 4.914 4.740 0.001 0.000 0.230 344 N C -3.383 172.120 175.510 -0.012 0.000 1.487 344 N CA -0.779 52.260 53.050 -0.018 0.000 0.765 344 N CB 0.970 39.443 38.487 -0.024 0.000 1.384 344 N HN -0.016 nan 8.380 nan 0.000 0.530 345 P HA 0.264 nan 4.420 nan 0.000 0.275 345 P C -2.430 174.880 177.300 0.016 0.000 1.228 345 P CA -0.715 62.390 63.100 0.007 0.000 0.786 345 P CB 0.315 32.022 31.700 0.012 0.000 0.927 346 P HA 0.072 nan 4.420 nan 0.000 0.274 346 P C 0.482 177.804 177.300 0.037 0.000 1.231 346 P CA -0.158 62.965 63.100 0.037 0.000 0.790 346 P CB 0.982 32.720 31.700 0.063 0.000 0.951 347 E N 1.664 121.879 120.200 0.026 0.000 2.112 347 E HA -0.008 4.342 4.350 0.001 0.000 0.190 347 E C 0.077 176.705 176.600 0.047 0.000 0.979 347 E CA 0.697 57.111 56.400 0.024 0.000 0.814 347 E CB -0.117 29.584 29.700 0.003 0.000 0.762 347 E HN 0.337 nan 8.360 nan 0.000 0.460 348 L N 1.614 122.875 121.223 0.062 0.000 2.329 348 L HA 0.344 4.685 4.340 0.001 0.000 0.279 348 L C -0.267 176.726 176.870 0.204 0.000 1.014 348 L CA -1.073 53.844 54.840 0.129 0.000 0.814 348 L CB 1.670 43.766 42.059 0.062 0.000 1.257 348 L HN 0.223 nan 8.230 nan 0.000 0.424 349 L N 3.864 125.231 121.223 0.241 0.000 3.713 349 L HA -0.175 4.166 4.340 0.001 0.000 0.499 349 L C -1.498 175.484 176.870 0.187 0.000 1.281 349 L CA -0.464 54.520 54.840 0.239 0.000 0.796 349 L CB -0.808 41.426 42.059 0.292 0.000 1.535 349 L HN 0.593 nan 8.230 nan 0.000 0.851 350 P HA -0.091 nan 4.420 nan 0.000 0.226 350 P C 1.180 178.575 177.300 0.159 0.000 1.153 350 P CA 0.926 64.104 63.100 0.130 0.000 0.777 350 P CB 0.328 32.087 31.700 0.097 0.000 0.794 351 S N -0.520 115.295 115.700 0.191 0.000 2.593 351 S HA 0.065 4.536 4.470 0.001 0.000 0.217 351 S C 0.810 175.567 174.600 0.262 0.000 0.966 351 S CA -0.387 57.973 58.200 0.268 0.000 0.914 351 S CB -0.678 62.688 63.200 0.277 0.000 0.776 351 S HN 0.072 nan 8.310 nan 0.000 0.523 352 L N 2.378 123.732 121.223 0.220 0.000 2.513 352 L HA 0.406 4.747 4.340 0.001 0.000 0.272 352 L C 1.190 178.199 176.870 0.231 0.000 1.187 352 L CA 1.109 56.080 54.840 0.220 0.000 0.895 352 L CB -0.389 41.788 42.059 0.196 0.000 1.147 352 L HN 0.343 nan 8.230 nan 0.000 0.483 353 G N 2.441 111.388 108.800 0.245 0.000 2.184 353 G HA2 -0.271 3.690 3.960 0.001 0.000 0.264 353 G HA3 -0.271 3.690 3.960 0.001 0.000 0.264 353 G C 0.432 175.451 174.900 0.199 0.000 0.975 353 G CA 0.390 45.632 45.100 0.238 0.000 0.642 353 G HN 0.824 nan 8.290 nan 0.000 0.536 354 S N -1.463 114.357 115.700 0.201 0.000 2.704 354 S HA 0.647 5.117 4.470 0.001 0.000 0.305 354 S C 0.356 175.097 174.600 0.234 0.000 1.107 354 S CA 0.069 58.329 58.200 0.100 0.000 0.993 354 S CB 0.931 64.091 63.200 -0.067 0.000 1.110 354 S HN 0.937 nan 8.310 nan 0.000 0.534 355 Y N -0.978 119.393 120.300 0.118 0.000 4.177 355 Y HA -0.205 4.345 4.550 0.001 0.000 0.227 355 Y C 0.514 176.500 175.900 0.143 0.000 1.154 355 Y CA 0.185 58.354 58.100 0.115 0.000 1.887 355 Y CB -2.257 36.264 38.460 0.103 0.000 1.594 355 Y HN 0.623 nan 8.280 nan 0.000 0.668 356 I N -0.011 120.713 120.570 0.255 0.000 2.754 356 I HA 0.474 4.644 4.170 0.001 0.000 0.285 356 I C 0.666 176.957 176.117 0.289 0.000 1.166 356 I CA 0.461 61.914 61.300 0.255 0.000 1.417 356 I CB 1.324 39.473 38.000 0.248 0.000 1.382 356 I HN 0.223 nan 8.210 nan 0.000 0.588 357 T N 1.862 116.546 114.554 0.216 0.000 2.861 357 T HA 0.667 5.017 4.350 0.001 0.000 0.287 357 T C -0.683 174.042 174.700 0.040 0.000 1.003 357 T CA -0.686 61.529 62.100 0.191 0.000 0.977 357 T CB 2.064 70.999 68.868 0.111 0.000 0.996 357 T HN 0.845 nan 8.240 nan 0.000 0.448 358 E N 1.350 121.539 120.200 -0.018 0.000 2.367 358 E HA 0.403 4.753 4.350 0.001 0.000 0.273 358 E C -1.041 175.663 176.600 0.174 0.000 0.903 358 E CA -0.631 55.725 56.400 -0.073 0.000 0.764 358 E CB 2.044 31.497 29.700 -0.412 0.000 1.252 358 E HN 0.722 nan 8.360 nan 0.000 0.446 359 Q N 0.908 120.836 119.800 0.213 0.000 2.299 359 Q HA 0.468 4.808 4.340 0.001 0.000 0.246 359 Q C -0.490 175.730 176.000 0.366 0.000 0.935 359 Q CA -0.512 55.475 55.803 0.307 0.000 0.887 359 Q CB 1.384 30.337 28.738 0.357 0.000 1.223 359 Q HN 0.462 nan 8.270 nan 0.000 0.439 360 S N 1.483 117.335 115.700 0.253 0.000 2.580 360 S HA 0.370 4.841 4.470 0.001 0.000 0.274 360 S C -0.711 173.951 174.600 0.102 0.000 1.329 360 S CA -0.512 57.708 58.200 0.033 0.000 1.036 360 S CB 0.452 63.555 63.200 -0.161 0.000 0.919 360 S HN 0.383 nan 8.310 nan 0.000 0.515 361 L N 3.973 125.221 121.223 0.041 0.000 2.410 361 L HA 0.716 5.056 4.340 0.001 0.000 0.270 361 L C -0.931 175.797 176.870 -0.236 0.000 0.983 361 L CA -0.671 54.082 54.840 -0.145 0.000 0.822 361 L CB 1.720 43.663 42.059 -0.194 0.000 1.285 361 L HN 0.481 nan 8.230 nan 0.000 0.409 362 V N 2.065 121.759 119.914 -0.367 0.000 2.628 362 V HA 0.748 4.868 4.120 0.001 0.000 0.306 362 V C -0.959 175.001 176.094 -0.223 0.000 1.045 362 V CA -0.664 61.350 62.300 -0.477 0.000 0.905 362 V CB 1.544 32.895 31.823 -0.785 0.000 0.997 362 V HN 0.808 nan 8.190 nan 0.000 0.436 363 F N 5.161 124.916 119.950 -0.326 0.000 2.591 363 F HA 0.872 5.399 4.527 0.001 0.000 0.309 363 F C -0.356 175.332 175.800 -0.187 0.000 1.098 363 F CA -0.225 57.666 58.000 -0.182 0.000 0.937 363 F CB 1.554 40.487 39.000 -0.112 0.000 1.250 363 F HN 1.182 nan 8.300 nan 0.000 0.447 364 C N 2.826 121.488 119.300 -1.063 0.000 3.332 364 C HA 0.824 5.284 4.460 0.001 0.000 0.329 364 C C -1.671 172.759 174.990 -0.934 0.000 1.434 364 C CA -0.670 57.692 59.018 -1.093 0.000 1.314 364 C CB 1.723 29.099 27.740 -0.606 0.000 1.664 364 C HN 0.965 nan 8.230 nan 0.000 0.457 365 Q N 0.583 120.092 119.800 -0.486 0.000 2.394 365 Q HA 0.733 5.073 4.340 0.001 0.000 0.273 365 Q C -0.544 175.483 176.000 0.045 0.000 1.089 365 Q CA -0.216 55.522 55.803 -0.108 0.000 0.812 365 Q CB 2.701 31.371 28.738 -0.114 0.000 1.353 365 Q HN 0.938 nan 8.270 nan 0.000 0.438 366 T N -2.476 112.183 114.554 0.174 0.000 2.932 366 T HA 0.701 5.051 4.350 0.001 0.000 0.289 366 T C -0.450 174.300 174.700 0.083 0.000 1.039 366 T CA -0.728 61.440 62.100 0.114 0.000 1.024 366 T CB 1.209 70.168 68.868 0.150 0.000 1.090 366 T HN 0.260 nan 8.240 nan 0.000 0.496 367 V N 2.759 122.691 119.914 0.029 0.000 2.357 367 V HA 0.380 4.501 4.120 0.001 0.000 0.284 367 V C 0.338 176.436 176.094 0.007 0.000 1.018 367 V CA -0.907 61.401 62.300 0.013 0.000 0.841 367 V CB 1.008 32.829 31.823 -0.003 0.000 0.991 367 V HN 1.023 nan 8.190 nan 0.000 0.437 368 M N 4.806 124.418 119.600 0.020 0.000 2.245 368 M HA 0.089 4.569 4.480 0.001 0.000 0.335 368 M C 0.876 177.177 176.300 0.000 0.000 1.155 368 M CA 0.780 56.093 55.300 0.022 0.000 1.055 368 M CB 0.637 33.249 32.600 0.021 0.000 1.670 368 M HN 0.921 nan 8.290 nan 0.000 0.447 369 S N 2.296 117.994 115.700 -0.002 0.000 2.593 369 S HA 0.162 4.632 4.470 0.001 0.000 0.269 369 S C 0.943 175.539 174.600 -0.006 0.000 1.334 369 S CA -0.225 57.965 58.200 -0.016 0.000 1.015 369 S CB 0.790 63.975 63.200 -0.025 0.000 0.912 369 S HN 0.792 nan 8.310 nan 0.000 0.541 370 T N 1.380 115.928 114.554 -0.011 0.000 2.746 370 T HA -0.126 4.224 4.350 0.001 0.000 0.267 370 T C 1.621 176.323 174.700 0.004 0.000 1.039 370 T CA 1.839 63.937 62.100 -0.003 0.000 1.142 370 T CB -0.527 68.336 68.868 -0.007 0.000 0.866 370 T HN 0.824 nan 8.240 nan 0.000 0.444 371 E N 0.378 120.577 120.200 -0.002 0.000 2.085 371 E HA -0.094 4.256 4.350 0.001 0.000 0.194 371 E C 2.123 178.734 176.600 0.018 0.000 0.994 371 E CA 0.901 57.303 56.400 0.003 0.000 0.801 371 E CB -0.169 29.526 29.700 -0.009 0.000 0.743 371 E HN 0.415 nan 8.360 nan 0.000 0.453 372 L N 0.433 121.669 121.223 0.021 0.000 2.072 372 L HA -0.169 4.171 4.340 0.001 0.000 0.205 372 L C 2.333 179.237 176.870 0.056 0.000 1.079 372 L CA 0.357 55.223 54.840 0.043 0.000 0.752 372 L CB -0.282 41.803 42.059 0.043 0.000 0.906 372 L HN 0.264 nan 8.230 nan 0.000 0.436 373 I N 0.077 120.668 120.570 0.034 0.000 2.226 373 I HA -0.285 3.886 4.170 0.001 0.000 0.245 373 I C 2.116 178.257 176.117 0.041 0.000 1.100 373 I CA 1.522 62.838 61.300 0.026 0.000 1.374 373 I CB -1.121 36.884 38.000 0.009 0.000 1.057 373 I HN 0.270 nan 8.210 nan 0.000 0.413 374 D N 0.516 120.940 120.400 0.040 0.000 2.178 374 D HA -0.123 4.517 4.640 0.001 0.000 0.201 374 D C 2.385 178.728 176.300 0.072 0.000 0.980 374 D CA 1.497 55.524 54.000 0.047 0.000 0.842 374 D CB -0.058 40.762 40.800 0.033 0.000 0.948 374 D HN 0.379 nan 8.370 nan 0.000 0.472 375 S N -0.006 115.746 115.700 0.087 0.000 2.399 375 S HA -0.134 4.337 4.470 0.001 0.000 0.231 375 S C 2.191 176.929 174.600 0.230 0.000 1.022 375 S CA 0.914 59.194 58.200 0.134 0.000 0.983 375 S CB -0.628 62.642 63.200 0.117 0.000 0.803 375 S HN 0.089 nan 8.310 nan 0.000 0.480 376 V N 3.208 123.238 119.914 0.195 0.000 2.380 376 V HA -0.176 3.944 4.120 0.001 0.000 0.251 376 V C 2.179 178.356 176.094 0.139 0.000 1.063 376 V CA 2.180 64.610 62.300 0.216 0.000 1.055 376 V CB -0.895 30.969 31.823 0.068 0.000 0.657 376 V HN 0.830 nan 8.190 nan 0.000 0.455 377 K N 0.215 120.680 120.400 0.109 0.000 2.576 377 K HA 0.193 4.514 4.320 0.001 0.000 0.209 377 K C 1.510 178.168 176.600 0.097 0.000 1.049 377 K CA 0.657 56.995 56.287 0.084 0.000 1.140 377 K CB 0.285 32.824 32.500 0.064 0.000 0.871 377 K HN 0.427 nan 8.250 nan 0.000 0.479 378 S N 0.663 116.449 115.700 0.144 0.000 2.423 378 S HA -0.142 4.329 4.470 0.001 0.000 0.231 378 S C 1.077 175.720 174.600 0.072 0.000 1.014 378 S CA 1.098 59.357 58.200 0.099 0.000 0.965 378 S CB -0.210 63.039 63.200 0.082 0.000 0.785 378 S HN 0.286 nan 8.310 nan 0.000 0.495 379 D N 0.967 121.428 120.400 0.102 0.000 2.349 379 D HA 0.171 4.812 4.640 0.001 0.000 0.224 379 D C 0.121 176.477 176.300 0.093 0.000 1.029 379 D CA 0.425 54.469 54.000 0.073 0.000 0.879 379 D CB -0.043 40.795 40.800 0.062 0.000 0.906 379 D HN 0.380 nan 8.370 nan 0.000 0.528 380 M N 0.480 120.129 119.600 0.082 0.000 2.233 380 M HA 0.206 4.686 4.480 0.001 0.000 0.355 380 M C 0.299 176.630 176.300 0.053 0.000 1.191 380 M CA -0.069 55.282 55.300 0.085 0.000 1.101 380 M CB 1.183 33.823 32.600 0.067 0.000 1.592 380 M HN -0.347 nan 8.290 nan 0.000 0.461 381 T N 4.650 119.227 114.554 0.040 0.000 2.799 381 T HA 0.685 5.035 4.350 0.001 0.000 0.286 381 T C 0.126 174.808 174.700 -0.029 0.000 0.973 381 T CA -0.330 61.774 62.100 0.006 0.000 1.035 381 T CB 0.745 69.611 68.868 -0.002 0.000 0.932 381 T HN 0.446 nan 8.240 nan 0.000 0.469 382 I N 3.764 124.318 120.570 -0.028 0.000 2.447 382 I HA 0.460 4.630 4.170 0.001 0.000 0.287 382 I C 0.093 176.187 176.117 -0.039 0.000 1.023 382 I CA -0.812 60.449 61.300 -0.065 0.000 1.083 382 I CB 1.778 39.781 38.000 0.006 0.000 1.245 382 I HN 0.352 nan 8.210 nan 0.000 0.434 383 R N 3.600 124.045 120.500 -0.092 0.000 2.711 383 R HA 0.776 5.117 4.340 0.001 0.000 0.284 383 R C 0.170 176.496 176.300 0.043 0.000 0.968 383 R CA -0.446 55.640 56.100 -0.023 0.000 0.924 383 R CB 2.147 32.424 30.300 -0.039 0.000 1.162 383 R HN 0.881 nan 8.270 nan 0.000 0.465 384 G N 0.679 109.541 108.800 0.103 0.000 2.693 384 G HA2 -0.261 3.699 3.960 0.001 0.000 0.226 384 G HA3 -0.261 3.699 3.960 0.001 0.000 0.226 384 G C -0.590 174.473 174.900 0.272 0.000 1.354 384 G CA -0.171 45.028 45.100 0.166 0.000 0.873 384 G HN 0.739 nan 8.290 nan 0.000 0.562 385 T N -0.474 114.209 114.554 0.216 0.000 2.841 385 T HA 0.712 5.063 4.350 0.001 0.000 0.283 385 T C -2.739 171.852 174.700 -0.182 0.000 1.000 385 T CA -1.203 60.938 62.100 0.069 0.000 0.977 385 T CB 2.344 71.219 68.868 0.012 0.000 0.979 385 T HN 0.509 nan 8.240 nan 0.000 0.446 386 P HA 0.276 nan 4.420 nan 0.000 0.264 386 P C 1.125 178.170 177.300 -0.425 0.000 1.183 386 P CA 1.429 63.926 63.100 -1.005 0.000 0.763 386 P CB 0.271 31.559 31.700 -0.686 0.000 0.807 387 G N 1.385 109.991 108.800 -0.323 0.000 2.217 387 G HA2 -0.206 3.755 3.960 0.001 0.000 0.246 387 G HA3 -0.206 3.755 3.960 0.001 0.000 0.246 387 G C 0.047 174.910 174.900 -0.063 0.000 0.990 387 G CA -0.191 44.826 45.100 -0.137 0.000 0.627 387 G HN 0.554 nan 8.290 nan 0.000 0.522 388 E N -0.586 119.590 120.200 -0.039 0.000 2.243 388 E HA 0.639 4.989 4.350 0.001 0.000 0.260 388 E C 0.841 177.482 176.600 0.068 0.000 0.985 388 E CA -1.175 55.237 56.400 0.020 0.000 0.858 388 E CB 0.994 30.711 29.700 0.029 0.000 1.210 388 E HN -0.039 nan 8.360 nan 0.000 0.411 389 L N 0.858 122.114 121.223 0.054 0.000 2.217 389 L HA -0.099 4.241 4.340 0.001 0.000 0.211 389 L C 2.308 179.218 176.870 0.066 0.000 1.107 389 L CA 1.892 56.764 54.840 0.053 0.000 0.783 389 L CB -1.197 40.881 42.059 0.031 0.000 0.919 389 L HN 0.726 nan 8.230 nan 0.000 0.442 390 T N -4.877 109.723 114.554 0.076 0.000 3.081 390 T HA -0.087 4.264 4.350 0.001 0.000 0.255 390 T C 0.795 175.555 174.700 0.100 0.000 1.113 390 T CA -0.300 61.840 62.100 0.067 0.000 1.082 390 T CB -0.629 68.271 68.868 0.053 0.000 0.939 390 T HN 0.064 nan 8.240 nan 0.000 0.506 391 Y N 2.923 123.224 120.300 0.001 0.000 2.717 391 Y HA 0.377 4.927 4.550 0.001 0.000 0.330 391 Y C 0.191 176.093 175.900 0.004 0.000 1.217 391 Y CA -0.425 57.677 58.100 0.003 0.000 1.506 391 Y CB 0.227 38.688 38.460 0.002 0.000 1.268 391 Y HN 0.202 nan 8.280 nan 0.000 0.561 392 S N 5.487 120.870 115.700 -0.528 0.000 2.619 392 S HA 0.662 5.133 4.470 0.001 0.000 0.280 392 S C -1.980 172.294 174.600 -0.542 0.000 1.150 392 S CA -0.744 57.201 58.200 -0.426 0.000 0.978 392 S CB 0.655 63.742 63.200 -0.188 0.000 1.041 392 S HN 0.482 nan 8.310 nan 0.000 0.485 393 V N 4.962 124.626 119.914 -0.417 0.000 2.378 393 V HA 0.696 4.816 4.120 0.001 0.000 0.288 393 V C 0.138 176.188 176.094 -0.073 0.000 1.016 393 V CA -0.440 61.716 62.300 -0.240 0.000 0.840 393 V CB 1.196 32.914 31.823 -0.175 0.000 0.994 393 V HN 0.997 nan 8.190 nan 0.000 0.431 394 T N 1.970 116.510 114.554 -0.023 0.000 2.906 394 T HA 0.846 5.196 4.350 0.001 0.000 0.295 394 T C -0.998 173.774 174.700 0.121 0.000 1.061 394 T CA -0.727 61.384 62.100 0.018 0.000 1.000 394 T CB 2.250 71.087 68.868 -0.051 0.000 1.103 394 T HN 0.736 nan 8.240 nan 0.000 0.486 395 Y N -1.328 118.965 120.300 -0.012 0.000 2.581 395 Y HA 0.773 5.323 4.550 0.001 0.000 0.345 395 Y C -0.781 175.117 175.900 -0.003 0.000 1.036 395 Y CA -1.280 56.819 58.100 -0.002 0.000 1.042 395 Y CB 1.102 39.571 38.460 0.014 0.000 1.289 395 Y HN 0.621 nan 8.280 nan 0.000 0.471 396 T N 4.992 119.537 114.554 -0.016 0.000 2.832 396 T HA 0.359 4.710 4.350 0.001 0.000 0.313 396 T C -2.758 171.945 174.700 0.005 0.000 1.035 396 T CA -1.334 60.714 62.100 -0.087 0.000 0.950 396 T CB 0.373 69.231 68.868 -0.018 0.000 0.984 396 T HN 0.382 nan 8.240 nan 0.000 0.486 397 P HA 0.176 nan 4.420 nan 0.000 0.264 397 P C 1.137 178.474 177.300 0.061 0.000 1.183 397 P CA 0.730 63.876 63.100 0.077 0.000 0.763 397 P CB 0.325 32.019 31.700 -0.010 0.000 0.807 398 G N 1.722 110.575 108.800 0.089 0.000 2.189 398 G HA2 -0.243 3.717 3.960 0.001 0.000 0.267 398 G HA3 -0.243 3.717 3.960 0.001 0.000 0.267 398 G C 0.466 175.382 174.900 0.026 0.000 0.975 398 G CA 0.066 45.194 45.100 0.046 0.000 0.644 398 G HN 0.874 nan 8.290 nan 0.000 0.537 399 A N 0.647 123.487 122.820 0.034 0.000 2.524 399 A HA 0.601 4.921 4.320 0.001 0.000 0.250 399 A C 1.791 179.373 177.584 -0.004 0.000 1.078 399 A CA 1.315 53.360 52.037 0.014 0.000 0.761 399 A CB 0.211 19.224 19.000 0.022 0.000 1.012 399 A HN 1.744 nan 8.150 nan 0.000 0.500 400 S N 1.933 117.625 115.700 -0.012 0.000 2.399 400 S HA -0.179 4.292 4.470 0.001 0.000 0.231 400 S C 1.559 176.136 174.600 -0.038 0.000 1.022 400 S CA 1.708 59.894 58.200 -0.023 0.000 0.983 400 S CB -0.986 62.202 63.200 -0.020 0.000 0.803 400 S HN 1.328 nan 8.310 nan 0.000 0.480 401 T N -0.302 114.231 114.554 -0.035 0.000 3.160 401 T HA 0.146 4.496 4.350 0.001 0.000 0.257 401 T C 0.313 174.971 174.700 -0.070 0.000 1.147 401 T CA -0.342 61.728 62.100 -0.050 0.000 1.064 401 T CB -0.823 68.023 68.868 -0.038 0.000 0.949 401 T HN 0.194 nan 8.240 nan 0.000 0.526 402 N N 2.640 121.301 118.700 -0.065 0.000 2.468 402 N HA 0.130 4.870 4.740 0.001 0.000 0.265 402 N C 1.025 176.411 175.510 -0.207 0.000 1.199 402 N CA -0.189 52.802 53.050 -0.098 0.000 0.928 402 N CB 1.046 39.499 38.487 -0.056 0.000 1.059 402 N HN 0.240 nan 8.380 nan 0.000 0.467 403 K N 1.451 121.648 120.400 -0.339 0.000 2.296 403 K HA 0.004 4.324 4.320 0.001 0.000 0.200 403 K C 0.157 176.250 176.600 -0.845 0.000 1.048 403 K CA 0.956 56.889 56.287 -0.590 0.000 0.966 403 K CB 0.074 32.116 32.500 -0.763 0.000 0.754 403 K HN 0.599 nan 8.250 nan 0.000 0.466 404 H N 0.142 118.921 119.070 -0.486 0.000 2.731 404 H HA 0.334 4.891 4.556 0.001 0.000 0.368 404 H C -2.360 172.670 175.328 -0.497 0.000 1.168 404 H CA -2.467 53.143 56.048 -0.730 0.000 1.181 404 H CB 1.245 30.231 29.762 -1.294 0.000 1.743 404 H HN -0.180 nan 8.280 nan 0.000 0.547 405 P HA -0.006 nan 4.420 nan 0.000 0.272 405 P C 0.466 177.617 177.300 -0.248 0.000 1.230 405 P CA -0.192 62.748 63.100 -0.268 0.000 0.788 405 P CB 1.028 32.536 31.700 -0.319 0.000 0.949 406 D N 0.476 120.848 120.400 -0.046 0.000 2.133 406 D HA -0.166 4.474 4.640 0.001 0.000 0.195 406 D C 1.835 178.174 176.300 0.065 0.000 0.997 406 D CA 1.317 55.356 54.000 0.065 0.000 0.840 406 D CB -0.554 40.375 40.800 0.215 0.000 0.947 406 D HN 0.626 nan 8.370 nan 0.000 0.452 407 W N 0.303 121.670 121.300 0.111 0.000 2.374 407 W HA -0.154 4.506 4.660 0.001 0.000 0.288 407 W C 1.899 178.491 176.519 0.121 0.000 1.218 407 W CA 0.242 57.651 57.345 0.107 0.000 1.245 407 W CB -1.197 28.322 29.460 0.098 0.000 1.126 407 W HN 0.086 nan 8.180 nan 0.000 0.545 408 W N 3.442 124.271 121.300 -0.786 0.000 2.407 408 W HA -0.131 4.530 4.660 0.001 0.000 0.305 408 W C 1.809 178.050 176.519 -0.463 0.000 1.196 408 W CA 1.523 58.363 57.345 -0.841 0.000 1.311 408 W CB -1.055 27.685 29.460 -1.200 0.000 1.135 408 W HN -0.126 nan 8.180 nan 0.000 0.514 409 N N 1.112 119.739 118.700 -0.123 0.000 2.223 409 N HA -0.192 4.549 4.740 0.001 0.000 0.185 409 N C 1.510 176.767 175.510 -0.422 0.000 1.016 409 N CA 1.852 54.637 53.050 -0.443 0.000 0.863 409 N CB -0.559 37.268 38.487 -1.100 0.000 0.983 409 N HN 0.224 nan 8.380 nan 0.000 0.429 410 E N 1.493 121.595 120.200 -0.162 0.000 2.051 410 E HA -0.084 4.267 4.350 0.001 0.000 0.192 410 E C 1.633 178.293 176.600 0.100 0.000 0.991 410 E CA 1.335 57.808 56.400 0.121 0.000 0.799 410 E CB 0.042 29.879 29.700 0.227 0.000 0.748 410 E HN 0.254 nan 8.360 nan 0.000 0.449 411 K N -0.440 120.010 120.400 0.084 0.000 2.032 411 K HA -0.133 4.187 4.320 0.001 0.000 0.209 411 K C 2.141 178.746 176.600 0.008 0.000 1.048 411 K CA 1.563 57.883 56.287 0.055 0.000 0.927 411 K CB -0.247 32.275 32.500 0.038 0.000 0.712 411 K HN 0.041 nan 8.250 nan 0.000 0.441 412 V N 1.960 121.833 119.914 -0.068 0.000 2.307 412 V HA -0.250 3.870 4.120 0.001 0.000 0.245 412 V C 2.419 178.545 176.094 0.052 0.000 1.045 412 V CA 1.656 63.924 62.300 -0.052 0.000 1.024 412 V CB -0.430 31.332 31.823 -0.102 0.000 0.651 412 V HN 0.356 nan 8.190 nan 0.000 0.449 413 K N 0.350 120.785 120.400 0.059 0.000 2.032 413 K HA -0.252 4.068 4.320 0.001 0.000 0.209 413 K C 1.996 178.658 176.600 0.103 0.000 1.048 413 K CA 2.090 58.443 56.287 0.110 0.000 0.927 413 K CB -0.280 32.348 32.500 0.213 0.000 0.712 413 K HN 0.425 nan 8.250 nan 0.000 0.441 414 N N 0.384 119.150 118.700 0.110 0.000 2.166 414 N HA -0.183 4.558 4.740 0.001 0.000 0.186 414 N C 1.787 177.354 175.510 0.095 0.000 1.019 414 N CA 1.406 54.513 53.050 0.095 0.000 0.856 414 N CB -0.636 37.913 38.487 0.102 0.000 0.993 414 N HN 0.454 nan 8.380 nan 0.000 0.426 415 H N 0.627 119.727 119.070 0.050 0.000 2.321 415 H HA 0.091 4.647 4.556 0.001 0.000 0.300 415 H C 2.029 177.408 175.328 0.086 0.000 1.087 415 H CA 1.738 57.828 56.048 0.070 0.000 1.319 415 H CB -0.052 29.663 29.762 -0.078 0.000 1.379 415 H HN 0.103 nan 8.280 nan 0.000 0.501 416 M N -0.811 118.814 119.600 0.041 0.000 2.229 416 M HA -0.118 4.362 4.480 0.001 0.000 0.264 416 M C 1.698 178.066 176.300 0.113 0.000 1.063 416 M CA 1.037 56.379 55.300 0.070 0.000 1.114 416 M CB 0.103 32.800 32.600 0.161 0.000 1.387 416 M HN 0.356 nan 8.290 nan 0.000 0.420 417 M N -0.509 119.135 119.600 0.073 0.000 2.357 417 M HA -0.053 4.428 4.480 0.001 0.000 0.266 417 M C 1.849 178.142 176.300 -0.012 0.000 1.095 417 M CA 1.467 56.819 55.300 0.087 0.000 1.156 417 M CB -0.840 31.787 32.600 0.045 0.000 1.365 417 M HN 0.293 nan 8.290 nan 0.000 0.447 418 Q N -0.562 119.166 119.800 -0.120 0.000 2.297 418 Q HA -0.067 4.274 4.340 0.001 0.000 0.204 418 Q C 0.067 175.751 176.000 -0.526 0.000 0.962 418 Q CA 0.809 56.416 55.803 -0.327 0.000 0.879 418 Q CB 0.262 28.745 28.738 -0.425 0.000 0.947 418 Q HN 0.522 nan 8.270 nan 0.000 0.462 419 H N -0.204 118.777 119.070 -0.149 0.000 2.379 419 H HA 0.190 4.746 4.556 0.001 0.000 0.229 419 H C -0.078 175.172 175.328 -0.130 0.000 1.423 419 H CA -0.082 55.885 56.048 -0.136 0.000 1.375 419 H CB 0.547 30.165 29.762 -0.240 0.000 1.592 419 H HN 0.239 nan 8.280 nan 0.000 0.507 420 Q N 0.657 120.448 119.800 -0.014 0.000 2.472 420 Q HA -0.086 4.254 4.340 0.001 0.000 0.208 420 Q C 1.784 177.738 176.000 -0.076 0.000 0.958 420 Q CA 0.631 56.386 55.803 -0.080 0.000 0.932 420 Q CB 0.483 29.137 28.738 -0.141 0.000 1.007 420 Q HN 0.529 nan 8.270 nan 0.000 0.508 421 E N 0.732 120.932 120.200 -0.001 0.000 2.435 421 E HA -0.079 4.271 4.350 0.001 0.000 0.195 421 E C -0.391 176.242 176.600 0.055 0.000 1.029 421 E CA 0.403 56.815 56.400 0.019 0.000 0.865 421 E CB 0.118 29.847 29.700 0.048 0.000 0.833 421 E HN 0.113 nan 8.360 nan 0.000 0.510 422 D N 2.143 122.594 120.400 0.084 0.000 2.232 422 D HA 0.138 4.779 4.640 0.001 0.000 0.242 422 D C -1.539 174.812 176.300 0.084 0.000 1.093 422 D CA -2.165 51.912 54.000 0.129 0.000 0.845 422 D CB 1.704 42.619 40.800 0.192 0.000 1.124 422 D HN -0.157 nan 8.370 nan 0.000 0.467 423 P HA 0.092 nan 4.420 nan 0.000 0.251 423 P C -0.095 177.240 177.300 0.057 0.000 1.223 423 P CA 0.122 63.254 63.100 0.053 0.000 0.796 423 P CB 0.519 32.241 31.700 0.037 0.000 1.068 424 L N 2.028 123.291 121.223 0.067 0.000 2.334 424 L HA 0.343 4.683 4.340 0.001 0.000 0.275 424 L C -1.262 175.617 176.870 0.016 0.000 1.036 424 L CA -2.196 52.654 54.840 0.016 0.000 0.807 424 L CB 2.027 44.065 42.059 -0.036 0.000 1.231 424 L HN -0.260 nan 8.230 nan 0.000 0.438 425 P HA 0.086 nan 4.420 nan 0.000 0.255 425 P C 0.184 177.330 177.300 -0.257 0.000 1.248 425 P CA 0.502 63.579 63.100 -0.037 0.000 0.807 425 P CB 0.348 32.039 31.700 -0.016 0.000 1.150 426 I N 2.291 122.626 120.570 -0.393 0.000 2.371 426 I HA 0.219 4.389 4.170 0.001 0.000 0.290 426 I C -2.151 173.451 176.117 -0.859 0.000 1.028 426 I CA -2.765 58.237 61.300 -0.496 0.000 1.345 426 I CB 0.650 38.456 38.000 -0.323 0.000 1.407 426 I HN -0.243 nan 8.210 nan 0.000 0.501 427 P HA -0.007 nan 4.420 nan 0.000 0.267 427 P C 0.277 177.307 177.300 -0.449 0.000 1.200 427 P CA 0.044 62.752 63.100 -0.654 0.000 0.772 427 P CB 0.343 31.901 31.700 -0.237 0.000 0.855 428 F N 0.745 120.587 119.950 -0.180 0.000 2.161 428 F HA -0.127 4.401 4.527 0.001 0.000 0.300 428 F C 1.750 177.512 175.800 -0.064 0.000 1.089 428 F CA 1.586 59.522 58.000 -0.108 0.000 1.282 428 F CB -0.919 38.033 39.000 -0.080 0.000 1.010 428 F HN 0.405 nan 8.300 nan 0.000 0.485 429 E N -0.149 120.133 120.200 0.137 0.000 2.368 429 E HA -0.014 4.337 4.350 0.001 0.000 0.188 429 E C -0.295 176.327 176.600 0.037 0.000 1.061 429 E CA -0.251 56.202 56.400 0.089 0.000 0.933 429 E CB -0.281 29.473 29.700 0.089 0.000 1.091 429 E HN 0.178 nan 8.360 nan 0.000 0.458 430 D N 2.273 122.672 120.400 -0.002 0.000 2.450 430 D HA 0.027 4.667 4.640 0.001 0.000 0.247 430 D C -2.318 174.000 176.300 0.030 0.000 1.162 430 D CA -1.597 52.390 54.000 -0.022 0.000 0.879 430 D CB 0.792 41.538 40.800 -0.089 0.000 1.163 430 D HN -0.118 nan 8.370 nan 0.000 0.472 431 P HA 0.047 nan 4.420 nan 0.000 0.270 431 P C -0.431 176.984 177.300 0.192 0.000 1.223 431 P CA -0.273 62.916 63.100 0.148 0.000 0.785 431 P CB 0.371 32.154 31.700 0.138 0.000 0.923 432 E N 2.199 122.531 120.200 0.220 0.000 2.392 432 E HA 0.183 4.534 4.350 0.001 0.000 0.259 432 E C -2.387 174.246 176.600 0.054 0.000 1.108 432 E CA -2.132 54.323 56.400 0.092 0.000 0.916 432 E CB -1.158 28.549 29.700 0.012 0.000 0.989 432 E HN 0.264 nan 8.360 nan 0.000 0.432 433 P HA 0.031 nan 4.420 nan 0.000 0.269 433 P C -0.397 176.909 177.300 0.011 0.000 1.209 433 P CA 0.153 63.329 63.100 0.126 0.000 0.776 433 P CB 0.406 32.140 31.700 0.056 0.000 0.876 434 Q N 1.189 121.088 119.800 0.165 0.000 3.662 434 Q HA 0.303 4.643 4.340 0.001 0.000 0.237 434 Q C -1.077 175.013 176.000 0.150 0.000 0.895 434 Q CA -0.296 55.482 55.803 -0.042 0.000 0.767 434 Q CB 1.232 29.686 28.738 -0.473 0.000 1.469 434 Q HN 0.188 nan 8.270 nan 0.000 0.424 435 V N 0.539 120.501 119.914 0.080 0.000 2.581 435 V HA 0.725 4.845 4.120 0.001 0.000 0.303 435 V C 0.082 176.186 176.094 0.016 0.000 1.041 435 V CA -0.445 61.897 62.300 0.070 0.000 0.907 435 V CB 2.122 33.944 31.823 -0.003 0.000 0.994 435 V HN 0.427 nan 8.190 nan 0.000 0.442 436 T N 1.776 116.367 114.554 0.060 0.000 2.909 436 T HA 0.487 4.837 4.350 0.001 0.000 0.299 436 T C -0.884 173.773 174.700 -0.072 0.000 1.073 436 T CA -0.303 61.781 62.100 -0.026 0.000 0.999 436 T CB 1.791 70.632 68.868 -0.045 0.000 1.098 436 T HN 0.813 nan 8.240 nan 0.000 0.477 437 T N 4.819 119.194 114.554 -0.297 0.000 2.772 437 T HA 0.601 4.951 4.350 0.001 0.000 0.288 437 T C -0.083 174.487 174.700 -0.217 0.000 0.994 437 T CA -0.603 61.173 62.100 -0.540 0.000 0.951 437 T CB -0.084 68.034 68.868 -1.250 0.000 0.933 437 T HN 0.501 nan 8.240 nan 0.000 0.447 438 L N 4.452 125.622 121.223 -0.089 0.000 2.452 438 L HA 0.401 4.742 4.340 0.001 0.000 0.267 438 L C 0.714 177.617 176.870 0.054 0.000 1.188 438 L CA -0.918 53.956 54.840 0.056 0.000 0.821 438 L CB 0.277 42.358 42.059 0.037 0.000 1.102 438 L HN 0.632 nan 8.230 nan 0.000 0.470 439 F N 2.829 122.722 119.950 -0.096 0.000 2.623 439 F HA -0.033 4.494 4.527 0.001 0.000 0.386 439 F C 0.217 175.772 175.800 -0.407 0.000 1.068 439 F CA 0.445 58.297 58.000 -0.246 0.000 1.265 439 F CB 0.161 39.059 39.000 -0.170 0.000 1.026 439 F HN 0.383 nan 8.300 nan 0.000 0.568 440 Q N 6.527 125.842 119.800 -0.808 0.000 2.495 440 Q HA 0.273 4.613 4.340 0.001 0.000 0.287 440 Q C -1.966 173.567 176.000 -0.779 0.000 1.078 440 Q CA -1.827 53.592 55.803 -0.639 0.000 0.793 440 Q CB 1.367 29.592 28.738 -0.854 0.000 1.459 440 Q HN 0.254 nan 8.270 nan 0.000 0.422 441 P HA -0.226 nan 4.420 nan 0.000 0.218 441 P C 1.121 178.188 177.300 -0.389 0.000 1.154 441 P CA 2.258 65.172 63.100 -0.309 0.000 0.872 441 P CB 0.207 31.815 31.700 -0.153 0.000 0.790 442 S N -1.933 113.536 115.700 -0.386 0.000 2.562 442 S HA -0.072 4.398 4.470 0.001 0.000 0.221 442 S C 0.443 174.854 174.600 -0.316 0.000 0.975 442 S CA 0.043 58.098 58.200 -0.242 0.000 0.918 442 S CB -1.214 61.949 63.200 -0.062 0.000 0.772 442 S HN 0.437 nan 8.310 nan 0.000 0.531 443 H N -1.412 117.214 119.070 -0.741 0.000 2.661 443 H HA 0.453 5.010 4.556 0.001 0.000 0.243 443 H C -3.276 170.918 175.328 -1.890 0.000 1.410 443 H CA -1.663 53.550 56.048 -1.392 0.000 1.509 443 H CB 0.379 29.611 29.762 -0.884 0.000 1.761 443 H HN 0.057 nan 8.280 nan 0.000 0.576 444 P HA 0.102 nan 4.420 nan 0.000 0.220 444 P C -1.243 175.514 177.300 -0.905 0.000 1.806 444 P CA 0.197 62.260 63.100 -1.729 0.000 0.976 444 P CB -1.035 30.148 31.700 -0.862 0.000 1.952 445 W N -0.216 120.795 121.300 -0.482 0.000 3.137 445 W HA 0.526 5.187 4.660 0.001 0.000 0.324 445 W C -1.004 175.607 176.519 0.153 0.000 1.253 445 W CA -1.228 56.142 57.345 0.043 0.000 1.183 445 W CB 0.124 29.630 29.460 0.077 0.000 1.424 445 W HN 0.004 nan 8.180 nan 0.000 0.566 446 H N 0.910 120.238 119.070 0.429 0.000 2.482 446 H HA 0.734 5.291 4.556 0.001 0.000 0.344 446 H C -0.266 175.189 175.328 0.211 0.000 1.151 446 H CA 0.302 56.502 56.048 0.253 0.000 1.300 446 H CB 1.609 31.480 29.762 0.181 0.000 1.494 446 H HN 0.578 nan 8.280 nan 0.000 0.542 447 T N 2.158 116.358 114.554 -0.590 0.000 2.893 447 T HA 0.498 4.848 4.350 0.001 0.000 0.293 447 T C -0.803 173.572 174.700 -0.540 0.000 1.027 447 T CA -1.106 60.645 62.100 -0.582 0.000 0.988 447 T CB 1.635 70.050 68.868 -0.755 0.000 1.043 447 T HN 0.669 nan 8.240 nan 0.000 0.461 448 Q N 1.900 121.567 119.800 -0.223 0.000 2.274 448 Q HA 0.543 4.884 4.340 0.001 0.000 0.268 448 Q C -1.304 174.568 176.000 -0.214 0.000 1.015 448 Q CA -0.612 54.992 55.803 -0.331 0.000 0.775 448 Q CB 2.589 31.020 28.738 -0.511 0.000 1.256 448 Q HN 0.724 nan 8.270 nan 0.000 0.442 449 I N 3.623 124.051 120.570 -0.235 0.000 2.466 449 I HA 0.392 4.562 4.170 0.001 0.000 0.279 449 I C -0.480 175.544 176.117 -0.155 0.000 1.033 449 I CA -0.315 60.742 61.300 -0.405 0.000 1.123 449 I CB 0.639 38.254 38.000 -0.642 0.000 1.237 449 I HN 0.743 nan 8.210 nan 0.000 0.460 450 H N 4.033 122.919 119.070 -0.307 0.000 2.863 450 H HA 0.650 5.206 4.556 0.001 0.000 0.274 450 H C -1.388 173.871 175.328 -0.116 0.000 1.457 450 H CA -1.345 54.600 56.048 -0.171 0.000 1.151 450 H CB 1.391 31.075 29.762 -0.130 0.000 1.844 450 H HN 0.161 nan 8.280 nan 0.000 0.562 451 R N 1.178 121.504 120.500 -0.291 0.000 2.628 451 R HA 0.294 4.634 4.340 0.001 0.000 0.288 451 R C -1.441 174.624 176.300 -0.392 0.000 0.980 451 R CA -0.616 55.285 56.100 -0.332 0.000 0.891 451 R CB 1.869 32.106 30.300 -0.105 0.000 1.188 451 R HN 0.933 nan 8.270 nan 0.000 0.450 452 D N 0.300 120.485 120.400 -0.359 0.000 2.533 452 D HA 0.464 5.105 4.640 0.001 0.000 0.247 452 D C -0.569 175.716 176.300 -0.025 0.000 1.056 452 D CA -0.813 53.074 54.000 -0.189 0.000 1.054 452 D CB 0.760 41.459 40.800 -0.167 0.000 1.400 452 D HN 0.416 nan 8.370 nan 0.000 0.533 453 A N -0.186 122.646 122.820 0.020 0.000 2.565 453 A HA 0.391 4.711 4.320 0.001 0.000 0.237 453 A C -0.736 176.922 177.584 0.123 0.000 1.053 453 A CA 0.198 52.295 52.037 0.099 0.000 0.755 453 A CB -0.725 18.359 19.000 0.140 0.000 0.980 453 A HN 0.495 nan 8.150 nan 0.000 0.506 454 F N 1.406 121.297 119.950 -0.098 0.000 2.619 454 F HA 0.471 4.998 4.527 0.001 0.000 0.308 454 F C 0.135 175.755 175.800 -0.300 0.000 1.097 454 F CA -0.326 57.499 58.000 -0.291 0.000 0.953 454 F CB 1.998 40.676 39.000 -0.536 0.000 1.287 454 F HN 0.500 nan 8.300 nan 0.000 0.446 455 S N 3.894 119.104 115.700 -0.817 0.000 2.642 455 S HA 0.351 4.821 4.470 0.001 0.000 0.309 455 S C -1.115 173.238 174.600 -0.411 0.000 1.125 455 S CA -0.432 57.481 58.200 -0.479 0.000 1.055 455 S CB -0.732 62.213 63.200 -0.426 0.000 1.157 455 S HN 0.442 nan 8.310 nan 0.000 0.513 456 Y N 2.331 122.710 120.300 0.131 0.000 2.436 456 Y HA 0.430 4.981 4.550 0.001 0.000 0.336 456 Y C 1.551 177.513 175.900 0.104 0.000 1.049 456 Y CA 0.068 58.313 58.100 0.241 0.000 1.294 456 Y CB 0.125 38.731 38.460 0.244 0.000 1.179 456 Y HN 0.780 nan 8.280 nan 0.000 0.520 457 G N 1.447 110.381 108.800 0.224 0.000 2.732 457 G HA2 0.200 4.161 3.960 0.001 0.000 0.244 457 G HA3 0.200 4.161 3.960 0.001 0.000 0.244 457 G C 0.991 175.975 174.900 0.141 0.000 1.226 457 G CA -0.049 45.133 45.100 0.138 0.000 0.860 457 G HN 0.889 nan 8.290 nan 0.000 0.583 458 A N -0.343 122.531 122.820 0.090 0.000 1.908 458 A HA -0.045 4.275 4.320 0.001 0.000 0.218 458 A C 2.511 180.137 177.584 0.070 0.000 1.181 458 A CA 2.243 54.323 52.037 0.071 0.000 0.627 458 A CB -0.534 18.495 19.000 0.048 0.000 0.818 458 A HN 0.612 nan 8.150 nan 0.000 0.445 459 V N -0.412 119.546 119.914 0.074 0.000 2.407 459 V HA -0.256 3.864 4.120 0.001 0.000 0.245 459 V C 2.478 178.614 176.094 0.071 0.000 1.041 459 V CA 1.847 64.184 62.300 0.062 0.000 1.040 459 V CB -1.092 30.764 31.823 0.055 0.000 0.671 459 V HN 0.604 nan 8.190 nan 0.000 0.455 460 Q N -0.004 119.865 119.800 0.115 0.000 2.197 460 Q HA -0.282 4.059 4.340 0.001 0.000 0.207 460 Q C 2.268 178.296 176.000 0.047 0.000 0.984 460 Q CA 1.611 57.495 55.803 0.135 0.000 0.869 460 Q CB -0.248 28.679 28.738 0.314 0.000 0.906 460 Q HN 0.691 nan 8.270 nan 0.000 0.426 461 Q N -0.453 119.388 119.800 0.067 0.000 2.437 461 Q HA -0.074 4.266 4.340 0.001 0.000 0.210 461 Q C 1.921 177.914 176.000 -0.012 0.000 0.972 461 Q CA 0.640 56.451 55.803 0.014 0.000 0.903 461 Q CB 0.014 28.786 28.738 0.056 0.000 0.967 461 Q HN 0.166 nan 8.270 nan 0.000 0.486 462 S N -0.082 115.620 115.700 0.003 0.000 2.453 462 S HA -0.012 4.458 4.470 0.001 0.000 0.231 462 S C 0.782 175.373 174.600 -0.016 0.000 1.005 462 S CA 0.180 58.380 58.200 -0.000 0.000 0.949 462 S CB 0.237 63.444 63.200 0.012 0.000 0.774 462 S HN 0.132 nan 8.310 nan 0.000 0.510 463 I N 2.665 123.212 120.570 -0.038 0.000 2.365 463 I HA 0.258 4.428 4.170 0.001 0.000 0.291 463 I C 0.370 176.439 176.117 -0.079 0.000 1.004 463 I CA -0.966 60.304 61.300 -0.051 0.000 1.311 463 I CB 0.772 38.741 38.000 -0.052 0.000 1.401 463 I HN 0.142 nan 8.210 nan 0.000 0.491 464 D N 4.125 124.497 120.400 -0.047 0.000 2.458 464 D HA -0.048 4.592 4.640 0.001 0.000 0.243 464 D C 1.188 177.444 176.300 -0.073 0.000 1.146 464 D CA 0.161 54.138 54.000 -0.038 0.000 0.877 464 D CB 1.201 42.003 40.800 0.003 0.000 1.176 464 D HN 0.648 nan 8.370 nan 0.000 0.461 465 S N 4.353 120.000 115.700 -0.089 0.000 2.419 465 S HA -0.193 4.278 4.470 0.001 0.000 0.233 465 S C 1.715 176.283 174.600 -0.053 0.000 1.016 465 S CA 0.623 58.754 58.200 -0.116 0.000 0.974 465 S CB -0.059 63.088 63.200 -0.088 0.000 0.786 465 S HN 0.556 nan 8.310 nan 0.000 0.492 466 R N 0.766 121.252 120.500 -0.025 0.000 2.193 466 R HA 0.153 4.493 4.340 0.001 0.000 0.229 466 R C 1.842 178.124 176.300 -0.029 0.000 1.110 466 R CA 1.173 57.258 56.100 -0.026 0.000 0.988 466 R CB -0.534 29.741 30.300 -0.042 0.000 0.871 466 R HN 0.453 nan 8.270 nan 0.000 0.458 467 L N 0.265 121.471 121.223 -0.029 0.000 2.492 467 L HA 0.104 4.444 4.340 0.001 0.000 0.223 467 L C 0.645 177.514 176.870 -0.002 0.000 1.132 467 L CA 0.232 55.062 54.840 -0.017 0.000 0.850 467 L CB 0.090 42.138 42.059 -0.018 0.000 0.966 467 L HN 0.056 nan 8.230 nan 0.000 0.454 468 I N 0.098 120.659 120.570 -0.015 0.000 2.353 468 I HA 0.240 4.411 4.170 0.001 0.000 0.293 468 I C -0.594 175.540 176.117 0.028 0.000 0.992 468 I CA -0.400 60.904 61.300 0.007 0.000 1.268 468 I CB 1.765 39.742 38.000 -0.037 0.000 1.387 468 I HN -0.302 nan 8.210 nan 0.000 0.478 469 V N 4.961 124.915 119.914 0.068 0.000 2.588 469 V HA 0.327 4.447 4.120 0.001 0.000 0.304 469 V C -0.806 175.300 176.094 0.020 0.000 1.042 469 V CA -0.861 61.447 62.300 0.014 0.000 0.877 469 V CB 2.077 33.914 31.823 0.023 0.000 0.996 469 V HN 0.588 nan 8.190 nan 0.000 0.425 470 D N 2.735 123.080 120.400 -0.092 0.000 2.210 470 D HA 0.454 5.095 4.640 0.001 0.000 0.249 470 D C -0.995 175.264 176.300 -0.070 0.000 1.062 470 D CA 0.024 54.021 54.000 -0.005 0.000 0.891 470 D CB 1.398 42.214 40.800 0.026 0.000 1.186 470 D HN 0.444 nan 8.370 nan 0.000 0.432 471 W N 1.264 122.578 121.300 0.024 0.000 2.538 471 W HA 0.436 5.096 4.660 0.001 0.000 0.322 471 W C 0.219 176.803 176.519 0.108 0.000 1.028 471 W CA -0.851 56.539 57.345 0.077 0.000 1.228 471 W CB 1.255 30.648 29.460 -0.111 0.000 1.356 471 W HN -0.078 nan 8.180 nan 0.000 0.452 472 R N 3.082 123.828 120.500 0.409 0.000 2.473 472 R HA 0.489 4.829 4.340 0.001 0.000 0.303 472 R C -1.487 175.020 176.300 0.344 0.000 1.002 472 R CA -0.834 55.405 56.100 0.232 0.000 0.884 472 R CB 1.510 31.919 30.300 0.182 0.000 1.173 472 R HN 0.163 nan 8.270 nan 0.000 0.464 473 F N 3.024 122.862 119.950 -0.188 0.000 2.469 473 F HA 0.505 5.033 4.527 0.001 0.000 0.332 473 F C -0.227 175.490 175.800 -0.137 0.000 1.103 473 F CA -1.541 56.426 58.000 -0.055 0.000 0.979 473 F CB 1.030 39.943 39.000 -0.146 0.000 1.137 473 F HN 0.297 nan 8.300 nan 0.000 0.463 474 F N 1.114 121.247 119.950 0.305 0.000 2.477 474 F HA 0.633 5.160 4.527 0.001 0.000 0.335 474 F C 0.624 176.629 175.800 0.342 0.000 1.130 474 F CA -1.070 57.111 58.000 0.302 0.000 0.948 474 F CB 1.604 40.831 39.000 0.379 0.000 1.154 474 F HN 0.533 nan 8.300 nan 0.000 0.439 475 G N 2.150 111.200 108.800 0.417 0.000 2.476 475 G HA2 0.596 4.556 3.960 0.001 0.000 0.286 475 G HA3 0.596 4.556 3.960 0.001 0.000 0.286 475 G C -0.799 174.294 174.900 0.322 0.000 1.177 475 G CA -0.991 44.331 45.100 0.371 0.000 0.870 475 G HN 0.718 nan 8.290 nan 0.000 0.528 476 R N -0.555 120.130 120.500 0.308 0.000 2.428 476 R HA 0.623 4.963 4.340 0.001 0.000 0.294 476 R C -0.967 175.446 176.300 0.187 0.000 1.000 476 R CA -0.559 55.657 56.100 0.193 0.000 0.960 476 R CB 1.210 31.641 30.300 0.218 0.000 1.076 476 R HN 0.253 nan 8.270 nan 0.000 0.475 477 T N 2.294 116.930 114.554 0.137 0.000 2.770 477 T HA 0.107 4.457 4.350 0.001 0.000 0.283 477 T C -0.584 174.206 174.700 0.150 0.000 0.988 477 T CA -0.615 61.612 62.100 0.211 0.000 0.957 477 T CB 1.184 70.249 68.868 0.330 0.000 0.930 477 T HN 0.666 nan 8.240 nan 0.000 0.443 478 E N 4.348 124.637 120.200 0.149 0.000 2.480 478 E HA 0.054 4.404 4.350 0.001 0.000 0.258 478 E C -2.245 174.440 176.600 0.141 0.000 0.984 478 E CA -1.379 55.098 56.400 0.128 0.000 0.930 478 E CB 0.426 30.192 29.700 0.109 0.000 0.936 478 E HN 0.198 nan 8.360 nan 0.000 0.466 479 P HA 0.108 nan 4.420 nan 0.000 0.276 479 P C -1.258 176.205 177.300 0.272 0.000 1.243 479 P CA 0.105 63.346 63.100 0.235 0.000 0.768 479 P CB 0.652 32.500 31.700 0.247 0.000 0.856 480 K N 2.650 123.165 120.400 0.190 0.000 2.443 480 K HA 0.160 4.480 4.320 0.001 0.000 0.252 480 K C 0.857 177.329 176.600 -0.213 0.000 0.933 480 K CA -0.637 55.681 56.287 0.052 0.000 0.792 480 K CB 2.280 34.764 32.500 -0.027 0.000 1.185 480 K HN 0.440 nan 8.250 nan 0.000 0.425 481 E N 2.263 122.174 120.200 -0.481 0.000 2.118 481 E HA -0.225 4.125 4.350 0.001 0.000 0.195 481 E C 1.051 177.404 176.600 -0.411 0.000 0.992 481 E CA 1.568 57.418 56.400 -0.916 0.000 0.804 481 E CB 0.471 29.839 29.700 -0.552 0.000 0.741 481 E HN 0.558 nan 8.360 nan 0.000 0.458 482 E N 0.410 120.475 120.200 -0.225 0.000 2.338 482 E HA -0.128 4.222 4.350 0.001 0.000 0.197 482 E C 0.011 176.554 176.600 -0.095 0.000 1.007 482 E CA 0.413 56.733 56.400 -0.134 0.000 0.849 482 E CB -0.290 29.348 29.700 -0.103 0.000 0.774 482 E HN 0.088 nan 8.360 nan 0.000 0.506 483 N N 1.913 120.552 118.700 -0.101 0.000 2.408 483 N HA 0.190 4.930 4.740 0.001 0.000 0.257 483 N C -0.764 174.808 175.510 0.103 0.000 1.064 483 N CA 0.081 53.128 53.050 -0.005 0.000 0.952 483 N CB 1.204 39.659 38.487 -0.053 0.000 1.093 483 N HN 0.104 nan 8.380 nan 0.000 0.490 484 K N 1.301 121.812 120.400 0.185 0.000 2.422 484 K HA 0.424 4.745 4.320 0.001 0.000 0.251 484 K C -1.100 175.646 176.600 0.243 0.000 0.933 484 K CA -0.913 55.498 56.287 0.208 0.000 0.798 484 K CB 2.435 35.061 32.500 0.211 0.000 1.238 484 K HN 0.181 nan 8.250 nan 0.000 0.428 485 L N 4.443 125.753 121.223 0.145 0.000 2.287 485 L HA 0.552 4.892 4.340 0.001 0.000 0.287 485 L C -1.154 175.627 176.870 -0.147 0.000 1.022 485 L CA -0.077 54.670 54.840 -0.154 0.000 0.814 485 L CB 0.393 42.374 42.059 -0.130 0.000 1.217 485 L HN 0.695 nan 8.230 nan 0.000 0.420 486 W N 3.706 124.692 121.300 -0.524 0.000 3.017 486 W HA 0.650 5.310 4.660 0.001 0.000 0.341 486 W C -2.144 173.903 176.519 -0.786 0.000 1.180 486 W CA -1.171 55.931 57.345 -0.404 0.000 1.097 486 W CB 0.964 30.341 29.460 -0.137 0.000 1.468 486 W HN 0.335 nan 8.180 nan 0.000 0.584 487 F N 1.452 121.606 119.950 0.341 0.000 2.547 487 F HA 0.337 4.865 4.527 0.001 0.000 0.316 487 F C 0.713 176.692 175.800 0.297 0.000 1.121 487 F CA -0.919 57.160 58.000 0.132 0.000 0.911 487 F CB 2.113 41.164 39.000 0.085 0.000 1.179 487 F HN 0.258 nan 8.300 nan 0.000 0.443 488 S N 0.973 116.835 115.700 0.269 0.000 2.572 488 S HA 0.066 4.536 4.470 0.001 0.000 0.279 488 S C 0.789 175.543 174.600 0.256 0.000 1.341 488 S CA -0.461 57.929 58.200 0.316 0.000 1.043 488 S CB 0.426 63.710 63.200 0.140 0.000 0.887 488 S HN 0.702 nan 8.310 nan 0.000 0.516 489 D N 2.620 123.154 120.400 0.223 0.000 2.340 489 D HA 0.083 4.723 4.640 0.001 0.000 0.220 489 D C 1.049 177.410 176.300 0.102 0.000 1.039 489 D CA 0.525 54.608 54.000 0.139 0.000 0.866 489 D CB 0.145 41.008 40.800 0.106 0.000 0.913 489 D HN 0.505 nan 8.370 nan 0.000 0.523 490 K N -0.333 120.132 120.400 0.109 0.000 2.424 490 K HA 0.133 4.454 4.320 0.001 0.000 0.200 490 K C 0.006 176.648 176.600 0.070 0.000 1.279 490 K CA -0.165 56.169 56.287 0.079 0.000 0.918 490 K CB 0.909 33.455 32.500 0.078 0.000 1.287 490 K HN -0.041 nan 8.250 nan 0.000 0.502 491 I N 3.285 123.901 120.570 0.077 0.000 2.440 491 I HA 0.141 4.312 4.170 0.001 0.000 0.294 491 I C 0.436 176.590 176.117 0.061 0.000 0.995 491 I CA -0.098 61.236 61.300 0.058 0.000 1.306 491 I CB 1.235 39.259 38.000 0.041 0.000 1.407 491 I HN 0.203 nan 8.210 nan 0.000 0.501 492 T N 1.111 115.696 114.554 0.052 0.000 2.924 492 T HA 0.599 4.950 4.350 0.001 0.000 0.291 492 T C -0.385 174.349 174.700 0.057 0.000 1.045 492 T CA -0.888 61.249 62.100 0.061 0.000 1.015 492 T CB 2.444 71.343 68.868 0.052 0.000 1.103 492 T HN 0.550 nan 8.240 nan 0.000 0.496 493 D N 0.696 121.146 120.400 0.083 0.000 2.507 493 D HA 0.508 5.148 4.640 0.001 0.000 0.280 493 D C 1.580 177.915 176.300 0.058 0.000 1.219 493 D CA -0.471 53.582 54.000 0.088 0.000 1.085 493 D CB -0.050 40.840 40.800 0.149 0.000 1.134 493 D HN 0.644 nan 8.370 nan 0.000 0.583 494 A N -1.549 121.292 122.820 0.036 0.000 2.119 494 A HA -0.065 4.256 4.320 0.001 0.000 0.217 494 A C 1.174 178.577 177.584 -0.302 0.000 1.153 494 A CA 0.748 52.708 52.037 -0.129 0.000 0.692 494 A CB -0.911 17.975 19.000 -0.189 0.000 0.799 494 A HN 0.534 nan 8.150 nan 0.000 0.458 495 Y N -1.154 119.169 120.300 0.038 0.000 2.571 495 Y HA 0.232 4.782 4.550 0.001 0.000 0.275 495 Y C 0.773 176.700 175.900 0.045 0.000 1.179 495 Y CA -0.133 57.994 58.100 0.046 0.000 1.242 495 Y CB -0.327 38.146 38.460 0.022 0.000 1.126 495 Y HN 0.453 nan 8.280 nan 0.000 0.524 496 N N -0.147 118.619 118.700 0.109 0.000 2.741 496 N HA -0.174 4.566 4.740 0.001 0.000 0.250 496 N C -0.631 174.927 175.510 0.080 0.000 1.115 496 N CA 0.501 53.595 53.050 0.074 0.000 0.724 496 N CB -0.440 38.074 38.487 0.044 0.000 1.090 496 N HN 0.127 nan 8.380 nan 0.000 0.558 497 M N -0.291 119.374 119.600 0.109 0.000 2.528 497 M HA 0.422 4.902 4.480 0.001 0.000 0.318 497 M C -2.114 174.246 176.300 0.101 0.000 1.195 497 M CA -2.007 53.344 55.300 0.086 0.000 1.000 497 M CB 0.530 33.182 32.600 0.086 0.000 1.615 497 M HN -0.250 nan 8.290 nan 0.000 0.469 498 P HA -0.011 nan 4.420 nan 0.000 0.261 498 P C -0.630 176.816 177.300 0.244 0.000 1.183 498 P CA 0.107 63.300 63.100 0.155 0.000 0.761 498 P CB 0.237 32.029 31.700 0.153 0.000 0.785 499 Q N 7.075 126.968 119.800 0.155 0.000 2.286 499 Q HA 0.175 4.516 4.340 0.001 0.000 0.267 499 Q C -2.316 173.659 176.000 -0.042 0.000 1.028 499 Q CA -2.010 53.835 55.803 0.070 0.000 0.901 499 Q CB -0.261 28.472 28.738 -0.009 0.000 1.183 499 Q HN 0.274 nan 8.270 nan 0.000 0.392 500 P HA 0.144 nan 4.420 nan 0.000 0.271 500 P C -1.107 175.718 177.300 -0.790 0.000 1.216 500 P CA -0.117 62.605 63.100 -0.630 0.000 0.776 500 P CB 1.019 32.433 31.700 -0.476 0.000 0.881 501 T N 2.731 116.571 114.554 -1.189 0.000 2.971 501 T HA 0.504 4.854 4.350 0.001 0.000 0.304 501 T C -0.705 173.306 174.700 -1.149 0.000 1.038 501 T CA -0.147 61.255 62.100 -1.163 0.000 1.007 501 T CB 0.470 68.305 68.868 -1.722 0.000 1.055 501 T HN 0.023 nan 8.240 nan 0.000 0.451 502 F N 1.932 121.606 119.950 -0.459 0.000 2.397 502 F HA 0.536 5.064 4.527 0.001 0.000 0.331 502 F C 0.667 176.428 175.800 -0.065 0.000 1.090 502 F CA -0.908 56.955 58.000 -0.230 0.000 1.065 502 F CB 1.122 40.035 39.000 -0.145 0.000 1.184 502 F HN 0.404 nan 8.300 nan 0.000 0.499 503 D N 3.374 123.956 120.400 0.303 0.000 2.375 503 D HA 0.206 4.847 4.640 0.001 0.000 0.259 503 D C -1.773 174.665 176.300 0.229 0.000 1.235 503 D CA -0.092 54.066 54.000 0.263 0.000 0.924 503 D CB 0.315 41.296 40.800 0.301 0.000 1.143 503 D HN 0.294 nan 8.370 nan 0.000 0.529 504 F N 3.073 123.024 119.950 0.002 0.000 2.569 504 F HA 0.590 5.117 4.527 0.001 0.000 0.312 504 F C -1.020 174.686 175.800 -0.158 0.000 1.109 504 F CA -0.590 57.346 58.000 -0.107 0.000 0.919 504 F CB 1.404 40.276 39.000 -0.214 0.000 1.211 504 F HN 0.015 nan 8.300 nan 0.000 0.446 505 R N 4.236 124.222 120.500 -0.857 0.000 2.740 505 R HA 0.341 4.681 4.340 0.001 0.000 0.273 505 R C -1.660 174.000 176.300 -1.067 0.000 0.998 505 R CA -0.966 54.729 56.100 -0.675 0.000 0.900 505 R CB 1.843 31.976 30.300 -0.279 0.000 1.223 505 R HN 0.577 nan 8.270 nan 0.000 0.466 506 F N 2.860 122.590 119.950 -0.367 0.000 2.578 506 F HA 0.152 4.679 4.527 0.001 0.000 0.381 506 F C -1.342 174.338 175.800 -0.200 0.000 1.069 506 F CA -1.010 56.868 58.000 -0.204 0.000 1.231 506 F CB -0.101 38.902 39.000 0.005 0.000 1.086 506 F HN 0.128 nan 8.300 nan 0.000 0.564 507 P HA 0.120 nan 4.420 nan 0.000 0.266 507 P C -0.569 176.750 177.300 0.031 0.000 1.195 507 P CA -0.206 62.878 63.100 -0.026 0.000 0.768 507 P CB 0.538 32.236 31.700 -0.002 0.000 0.838 508 A N 2.678 125.502 122.820 0.006 0.000 2.429 508 A HA 0.515 4.835 4.320 0.001 0.000 0.242 508 A C 1.163 178.764 177.584 0.029 0.000 1.088 508 A CA 0.834 52.880 52.037 0.014 0.000 0.784 508 A CB -1.083 17.918 19.000 0.001 0.000 1.038 508 A HN 0.840 nan 8.150 nan 0.000 0.501 509 G N 0.081 108.900 108.800 0.031 0.000 2.498 509 G HA2 -0.278 3.682 3.960 0.001 0.000 0.251 509 G HA3 -0.278 3.682 3.960 0.001 0.000 0.251 509 G C 1.029 175.961 174.900 0.055 0.000 1.170 509 G CA 0.841 45.964 45.100 0.039 0.000 0.944 509 G HN 1.061 nan 8.290 nan 0.000 0.567 510 R N -0.297 120.242 120.500 0.065 0.000 2.091 510 R HA -0.090 4.251 4.340 0.001 0.000 0.238 510 R C 2.842 179.202 176.300 0.101 0.000 1.136 510 R CA 2.762 58.910 56.100 0.081 0.000 0.959 510 R CB -0.901 29.450 30.300 0.084 0.000 0.856 510 R HN 0.628 nan 8.270 nan 0.000 0.437 511 T N -0.064 114.555 114.554 0.108 0.000 2.720 511 T HA -0.109 4.241 4.350 0.001 0.000 0.268 511 T C 1.895 176.658 174.700 0.104 0.000 1.037 511 T CA 1.808 63.990 62.100 0.136 0.000 1.144 511 T CB -0.131 68.842 68.868 0.174 0.000 0.864 511 T HN 0.274 nan 8.240 nan 0.000 0.444 512 S N 0.423 116.166 115.700 0.072 0.000 2.377 512 S HA 0.030 4.501 4.470 0.001 0.000 0.223 512 S C 1.995 176.611 174.600 0.026 0.000 1.030 512 S CA 0.727 58.940 58.200 0.022 0.000 0.970 512 S CB -0.125 63.081 63.200 0.009 0.000 0.830 512 S HN 0.491 nan 8.310 nan 0.000 0.473 513 K N 1.533 121.963 120.400 0.051 0.000 2.032 513 K HA -0.163 4.158 4.320 0.001 0.000 0.209 513 K C 1.904 178.564 176.600 0.101 0.000 1.048 513 K CA 1.580 57.906 56.287 0.064 0.000 0.927 513 K CB -0.134 32.408 32.500 0.070 0.000 0.712 513 K HN 0.349 nan 8.250 nan 0.000 0.441 514 E N -0.104 120.182 120.200 0.143 0.000 2.077 514 E HA -0.202 4.149 4.350 0.001 0.000 0.193 514 E C 2.001 178.702 176.600 0.169 0.000 0.989 514 E CA 0.993 57.539 56.400 0.244 0.000 0.800 514 E CB -0.150 29.722 29.700 0.286 0.000 0.746 514 E HN 0.467 nan 8.360 nan 0.000 0.452 515 A N 1.442 124.329 122.820 0.111 0.000 1.883 515 A HA -0.268 4.052 4.320 0.001 0.000 0.217 515 A C 2.104 179.761 177.584 0.122 0.000 1.186 515 A CA 1.904 54.000 52.037 0.097 0.000 0.624 515 A CB -0.406 18.610 19.000 0.026 0.000 0.822 515 A HN 0.148 nan 8.150 nan 0.000 0.444 516 E N 0.384 120.637 120.200 0.088 0.000 2.107 516 E HA -0.132 4.219 4.350 0.001 0.000 0.191 516 E C 1.312 177.897 176.600 -0.026 0.000 0.982 516 E CA 1.431 57.881 56.400 0.083 0.000 0.809 516 E CB -0.315 29.410 29.700 0.042 0.000 0.756 516 E HN 0.516 nan 8.360 nan 0.000 0.459 517 D N -0.077 120.309 120.400 -0.023 0.000 2.178 517 D HA -0.174 4.467 4.640 0.001 0.000 0.201 517 D C 1.885 177.930 176.300 -0.425 0.000 0.980 517 D CA 1.044 55.017 54.000 -0.045 0.000 0.842 517 D CB -0.297 40.619 40.800 0.193 0.000 0.948 517 D HN 0.317 nan 8.370 nan 0.000 0.472 518 M N -0.265 118.857 119.600 -0.795 0.000 2.086 518 M HA -0.203 4.277 4.480 0.001 0.000 0.261 518 M C 2.062 177.931 176.300 -0.719 0.000 1.067 518 M CA 1.239 55.743 55.300 -1.327 0.000 1.116 518 M CB -0.007 32.029 32.600 -0.940 0.000 1.348 518 M HN -0.034 nan 8.290 nan 0.000 0.407 519 M N 0.391 119.698 119.600 -0.488 0.000 2.080 519 M HA -0.170 4.310 4.480 0.001 0.000 0.260 519 M C 1.788 177.877 176.300 -0.352 0.000 1.068 519 M CA 2.437 57.459 55.300 -0.463 0.000 1.109 519 M CB -0.989 31.419 32.600 -0.320 0.000 1.342 519 M HN 0.279 nan 8.290 nan 0.000 0.405 520 T N -0.174 114.240 114.554 -0.234 0.000 2.746 520 T HA -0.158 4.192 4.350 0.001 0.000 0.267 520 T C 1.496 176.123 174.700 -0.122 0.000 1.039 520 T CA 1.753 63.770 62.100 -0.139 0.000 1.142 520 T CB -0.606 68.227 68.868 -0.058 0.000 0.866 520 T HN 0.517 nan 8.240 nan 0.000 0.444 521 D N 0.505 120.825 120.400 -0.133 0.000 2.144 521 D HA -0.054 4.587 4.640 0.001 0.000 0.199 521 D C 2.009 178.289 176.300 -0.034 0.000 0.984 521 D CA 0.772 54.800 54.000 0.046 0.000 0.834 521 D CB -0.187 40.750 40.800 0.229 0.000 0.955 521 D HN 0.290 nan 8.370 nan 0.000 0.465 522 M N -0.611 118.727 119.600 -0.436 0.000 2.200 522 M HA -0.127 4.353 4.480 0.001 0.000 0.265 522 M C 1.836 177.847 176.300 -0.483 0.000 1.066 522 M CA 1.062 55.866 55.300 -0.827 0.000 1.127 522 M CB -0.099 31.692 32.600 -1.348 0.000 1.379 522 M HN 0.178 nan 8.290 nan 0.000 0.420 523 C N -0.165 118.950 119.300 -0.309 0.000 2.429 523 C HA -0.115 4.345 4.460 0.001 0.000 0.277 523 C C 2.678 177.573 174.990 -0.158 0.000 1.262 523 C CA 0.852 59.792 59.018 -0.130 0.000 1.733 523 C CB -1.004 26.707 27.740 -0.049 0.000 2.010 523 C HN 0.476 nan 8.230 nan 0.000 0.483 524 V N 0.504 120.357 119.914 -0.102 0.000 2.307 524 V HA -0.266 3.855 4.120 0.001 0.000 0.245 524 V C 2.385 178.460 176.094 -0.033 0.000 1.045 524 V CA 2.211 64.482 62.300 -0.048 0.000 1.024 524 V CB -0.640 31.205 31.823 0.036 0.000 0.651 524 V HN 0.590 nan 8.190 nan 0.000 0.449 525 M N 0.695 120.318 119.600 0.038 0.000 2.132 525 M HA -0.151 4.329 4.480 0.001 0.000 0.263 525 M C 2.473 178.671 176.300 -0.170 0.000 1.065 525 M CA 2.252 57.657 55.300 0.175 0.000 1.122 525 M CB -0.181 32.678 32.600 0.432 0.000 1.365 525 M HN 0.541 nan 8.290 nan 0.000 0.411 526 S N 0.578 115.872 115.700 -0.677 0.000 2.399 526 S HA -0.066 4.404 4.470 0.001 0.000 0.231 526 S C 1.975 176.202 174.600 -0.621 0.000 1.022 526 S CA 1.015 58.415 58.200 -1.332 0.000 0.983 526 S CB -0.864 61.347 63.200 -1.648 0.000 0.803 526 S HN 0.575 nan 8.310 nan 0.000 0.480 527 A N 1.944 124.496 122.820 -0.448 0.000 2.070 527 A HA 0.016 4.337 4.320 0.001 0.000 0.220 527 A C 2.169 179.628 177.584 -0.207 0.000 1.159 527 A CA 1.236 53.060 52.037 -0.355 0.000 0.656 527 A CB -0.523 18.296 19.000 -0.301 0.000 0.800 527 A HN 0.630 nan 8.150 nan 0.000 0.453 528 K N -0.607 119.715 120.400 -0.130 0.000 2.283 528 K HA -0.008 4.312 4.320 0.001 0.000 0.202 528 K C 1.182 177.774 176.600 -0.012 0.000 1.048 528 K CA 0.890 57.146 56.287 -0.052 0.000 0.948 528 K CB -0.047 32.459 32.500 0.010 0.000 0.742 528 K HN 0.409 nan 8.250 nan 0.000 0.458 529 I N -0.718 119.863 120.570 0.018 0.000 3.339 529 I HA 0.142 4.312 4.170 0.001 0.000 0.285 529 I C 1.119 177.250 176.117 0.023 0.000 1.201 529 I CA 0.556 61.910 61.300 0.090 0.000 1.434 529 I CB 0.022 38.215 38.000 0.322 0.000 1.152 529 I HN 0.110 nan 8.210 nan 0.000 0.443 530 G N -0.605 108.155 108.800 -0.067 0.000 2.328 530 G HA2 0.440 4.401 3.960 0.001 0.000 0.295 530 G HA3 0.440 4.401 3.960 0.001 0.000 0.295 530 G C -0.679 174.078 174.900 -0.237 0.000 1.413 530 G CA -0.198 44.840 45.100 -0.103 0.000 0.817 530 G HN 0.270 nan 8.290 nan 0.000 0.546 531 G N -1.113 107.548 108.800 -0.231 0.000 2.537 531 G HA2 0.575 4.535 3.960 0.001 0.000 0.273 531 G HA3 0.575 4.535 3.960 0.001 0.000 0.273 531 G C -0.212 174.516 174.900 -0.287 0.000 1.189 531 G CA -0.539 44.341 45.100 -0.366 0.000 0.881 531 G HN 0.462 nan 8.290 nan 0.000 0.535 532 F N -0.766 119.095 119.950 -0.148 0.000 2.553 532 F HA 0.194 4.721 4.527 0.001 0.000 0.356 532 F C 0.713 176.457 175.800 -0.094 0.000 1.142 532 F CA -0.603 57.305 58.000 -0.154 0.000 1.322 532 F CB 0.615 39.513 39.000 -0.169 0.000 1.126 532 F HN 0.182 nan 8.300 nan 0.000 0.599 533 L N 5.518 126.812 121.223 0.119 0.000 2.278 533 L HA 0.452 4.792 4.340 0.001 0.000 0.287 533 L C -2.447 174.467 176.870 0.073 0.000 1.072 533 L CA -1.915 52.969 54.840 0.074 0.000 0.819 533 L CB 0.357 42.455 42.059 0.065 0.000 1.176 533 L HN 0.274 nan 8.230 nan 0.000 0.435 534 P HA 0.167 nan 4.420 nan 0.000 0.264 534 P C 0.627 177.973 177.300 0.077 0.000 1.183 534 P CA 1.119 64.255 63.100 0.060 0.000 0.763 534 P CB 0.638 32.368 31.700 0.051 0.000 0.807 535 G N 2.031 110.871 108.800 0.066 0.000 2.199 535 G HA2 -0.243 3.717 3.960 0.001 0.000 0.254 535 G HA3 -0.243 3.717 3.960 0.001 0.000 0.254 535 G C 0.491 175.469 174.900 0.129 0.000 0.982 535 G CA 0.269 45.428 45.100 0.098 0.000 0.632 535 G HN 0.531 nan 8.290 nan 0.000 0.529 536 S N 0.598 116.345 115.700 0.078 0.000 2.665 536 S HA 0.500 4.970 4.470 0.001 0.000 0.235 536 S C 0.435 174.940 174.600 -0.158 0.000 1.084 536 S CA -0.563 57.670 58.200 0.055 0.000 1.151 536 S CB 0.275 63.494 63.200 0.032 0.000 1.151 536 S HN 0.472 nan 8.310 nan 0.000 0.461 537 L N 1.845 122.968 121.223 -0.167 0.000 2.466 537 L HA 0.384 4.724 4.340 0.001 0.000 0.257 537 L C -2.270 174.302 176.870 -0.496 0.000 1.189 537 L CA -2.365 52.239 54.840 -0.395 0.000 0.813 537 L CB -0.168 41.723 42.059 -0.280 0.000 1.118 537 L HN 0.039 nan 8.230 nan 0.000 0.471 538 P HA 0.015 nan 4.420 nan 0.000 0.264 538 P C -1.341 175.744 177.300 -0.360 0.000 1.193 538 P CA 0.097 62.825 63.100 -0.619 0.000 0.763 538 P CB 0.378 31.635 31.700 -0.738 0.000 0.810 539 Q N 1.749 121.378 119.800 -0.284 0.000 2.527 539 Q HA 0.447 4.788 4.340 0.001 0.000 0.280 539 Q C -1.525 174.362 176.000 -0.188 0.000 0.977 539 Q CA -0.833 54.886 55.803 -0.139 0.000 0.837 539 Q CB 0.651 29.374 28.738 -0.024 0.000 1.454 539 Q HN 0.090 nan 8.270 nan 0.000 0.387 540 F N 1.726 121.625 119.950 -0.086 0.000 2.443 540 F HA 0.311 4.838 4.527 0.001 0.000 0.353 540 F C 0.538 176.310 175.800 -0.048 0.000 1.101 540 F CA -0.258 57.693 58.000 -0.083 0.000 1.226 540 F CB 0.984 39.924 39.000 -0.100 0.000 1.140 540 F HN 0.408 nan 8.300 nan 0.000 0.557 541 M N 3.146 122.814 119.600 0.113 0.000 2.288 541 M HA 0.190 4.670 4.480 0.001 0.000 0.334 541 M C 0.029 176.378 176.300 0.081 0.000 1.150 541 M CA -0.871 54.460 55.300 0.051 0.000 1.118 541 M CB 1.173 33.760 32.600 -0.022 0.000 1.501 541 M HN 0.527 nan 8.290 nan 0.000 0.462 542 K N 1.544 121.966 120.400 0.037 0.000 2.485 542 K HA 0.164 4.485 4.320 0.001 0.000 0.277 542 K C -2.578 174.047 176.600 0.041 0.000 0.990 542 K CA -1.042 55.265 56.287 0.034 0.000 0.994 542 K CB -0.580 31.916 32.500 -0.006 0.000 0.906 542 K HN 0.246 nan 8.250 nan 0.000 0.488 543 P HA -0.011 nan 4.420 nan 0.000 0.263 543 P C 0.499 177.730 177.300 -0.115 0.000 1.195 543 P CA 1.117 64.251 63.100 0.056 0.000 0.762 543 P CB 0.687 32.403 31.700 0.027 0.000 0.799 544 G N 2.574 111.308 108.800 -0.110 0.000 2.195 544 G HA2 -0.303 3.657 3.960 0.001 0.000 0.246 544 G HA3 -0.303 3.657 3.960 0.001 0.000 0.246 544 G C 0.745 175.594 174.900 -0.086 0.000 0.984 544 G CA 0.053 45.048 45.100 -0.175 0.000 0.633 544 G HN 0.499 nan 8.290 nan 0.000 0.525 545 L N 1.650 122.842 121.223 -0.051 0.000 2.191 545 L HA 0.008 4.349 4.340 0.001 0.000 0.212 545 L C 3.133 179.986 176.870 -0.028 0.000 1.103 545 L CA 2.616 57.432 54.840 -0.041 0.000 0.769 545 L CB -0.760 41.270 42.059 -0.048 0.000 0.908 545 L HN 0.883 nan 8.230 nan 0.000 0.438 546 C N -2.874 116.412 119.300 -0.023 0.000 2.437 546 C HA 0.100 4.560 4.460 0.001 0.000 0.283 546 C C 1.682 176.572 174.990 -0.166 0.000 1.424 546 C CA -0.636 58.343 59.018 -0.064 0.000 1.782 546 C CB -1.475 26.276 27.740 0.018 0.000 1.833 546 C HN 0.487 nan 8.230 nan 0.000 0.532 547 L N -0.043 121.165 121.223 -0.025 0.000 3.597 547 L HA -0.239 4.102 4.340 0.001 0.000 0.440 547 L C 0.262 177.277 176.870 0.242 0.000 1.277 547 L CA 0.859 55.749 54.840 0.083 0.000 0.852 547 L CB -2.678 39.458 42.059 0.128 0.000 1.708 547 L HN 0.695 nan 8.230 nan 0.000 0.885 548 H N -0.893 118.278 119.070 0.168 0.000 2.510 548 H HA 0.266 4.822 4.556 0.001 0.000 0.266 548 H C 0.597 176.053 175.328 0.212 0.000 1.146 548 H CA -1.087 55.096 56.048 0.226 0.000 0.993 548 H CB 0.709 30.637 29.762 0.277 0.000 1.727 548 H HN 0.233 nan 8.280 nan 0.000 0.590 549 L N 2.021 123.380 121.223 0.227 0.000 2.615 549 L HA 0.111 4.452 4.340 0.001 0.000 0.284 549 L C 0.611 177.611 176.870 0.218 0.000 1.237 549 L CA 0.875 55.803 54.840 0.147 0.000 0.905 549 L CB 0.266 42.374 42.059 0.082 0.000 1.149 549 L HN 0.270 nan 8.230 nan 0.000 0.499 550 G N 1.970 110.908 108.800 0.230 0.000 2.730 550 G HA2 0.553 4.514 3.960 0.001 0.000 0.289 550 G HA3 0.553 4.514 3.960 0.001 0.000 0.289 550 G C 0.320 175.323 174.900 0.172 0.000 1.341 550 G CA -0.341 44.916 45.100 0.261 0.000 0.932 550 G HN 1.369 nan 8.290 nan 0.000 0.481 551 G N -1.306 107.562 108.800 0.112 0.000 2.159 551 G HA2 -0.233 3.727 3.960 0.001 0.000 0.256 551 G HA3 -0.233 3.727 3.960 0.001 0.000 0.256 551 G C 1.334 176.294 174.900 0.101 0.000 0.977 551 G CA 1.516 46.687 45.100 0.119 0.000 0.652 551 G HN 1.867 nan 8.290 nan 0.000 0.531 552 T N -1.954 112.615 114.554 0.025 0.000 2.995 552 T HA 0.133 4.483 4.350 0.001 0.000 0.269 552 T C 1.093 175.883 174.700 0.151 0.000 1.091 552 T CA 1.857 64.019 62.100 0.102 0.000 1.128 552 T CB -0.296 68.648 68.868 0.126 0.000 0.891 552 T HN 1.476 nan 8.240 nan 0.000 0.492 553 H N -0.158 118.986 119.070 0.124 0.000 2.823 553 H HA 0.458 5.015 4.556 0.001 0.000 0.222 553 H C -0.079 175.295 175.328 0.076 0.000 1.414 553 H CA -1.310 54.789 56.048 0.084 0.000 1.289 553 H CB -0.317 29.460 29.762 0.024 0.000 1.970 553 H HN 0.341 nan 8.280 nan 0.000 0.517 554 R N 0.689 121.265 120.500 0.127 0.000 2.694 554 R HA 0.234 4.575 4.340 0.001 0.000 0.268 554 R C -0.356 176.004 176.300 0.100 0.000 1.061 554 R CA -0.613 55.537 56.100 0.084 0.000 1.133 554 R CB 0.905 31.251 30.300 0.077 0.000 1.020 554 R HN 0.470 nan 8.270 nan 0.000 0.475 555 M N 1.672 121.308 119.600 0.059 0.000 2.249 555 M HA 0.416 4.897 4.480 0.001 0.000 0.351 555 M C -0.406 175.897 176.300 0.005 0.000 1.180 555 M CA 0.318 55.633 55.300 0.024 0.000 1.127 555 M CB 1.468 34.054 32.600 -0.024 0.000 1.546 555 M HN 0.962 nan 8.290 nan 0.000 0.461 556 G N 2.168 110.981 108.800 0.021 0.000 2.548 556 G HA2 0.396 4.357 3.960 0.001 0.000 0.301 556 G HA3 0.396 4.357 3.960 0.001 0.000 0.301 556 G C -0.878 174.014 174.900 -0.012 0.000 1.349 556 G CA -0.668 44.400 45.100 -0.055 0.000 0.792 556 G HN 0.655 nan 8.290 nan 0.000 0.481 557 F N -0.025 120.024 119.950 0.164 0.000 2.234 557 F HA 0.269 4.796 4.527 0.001 0.000 0.296 557 F C 1.058 176.989 175.800 0.218 0.000 1.089 557 F CA 1.195 59.295 58.000 0.167 0.000 1.343 557 F CB 0.411 39.468 39.000 0.094 0.000 1.040 557 F HN 0.383 nan 8.300 nan 0.000 0.498 558 D N -1.265 119.293 120.400 0.264 0.000 2.936 558 D HA 0.117 4.758 4.640 0.001 0.000 0.238 558 D C 0.581 176.728 176.300 -0.254 0.000 1.248 558 D CA -0.256 53.746 54.000 0.004 0.000 0.903 558 D CB 1.292 42.115 40.800 0.038 0.000 1.544 558 D HN 0.066 nan 8.370 nan 0.000 0.543 559 E N 3.150 122.895 120.200 -0.757 0.000 2.051 559 E HA -0.236 4.114 4.350 0.001 0.000 0.192 559 E C 1.303 177.722 176.600 -0.301 0.000 0.991 559 E CA 1.106 57.013 56.400 -0.823 0.000 0.799 559 E CB 0.283 29.328 29.700 -1.090 0.000 0.748 559 E HN 0.419 nan 8.360 nan 0.000 0.449 560 K N 0.322 120.597 120.400 -0.207 0.000 2.067 560 K HA -0.152 4.169 4.320 0.001 0.000 0.203 560 K C 2.184 178.754 176.600 -0.051 0.000 1.048 560 K CA 1.297 57.531 56.287 -0.089 0.000 0.954 560 K CB -0.025 32.438 32.500 -0.062 0.000 0.737 560 K HN 0.046 nan 8.250 nan 0.000 0.444 561 E N 0.266 120.440 120.200 -0.044 0.000 2.150 561 E HA -0.158 4.193 4.350 0.001 0.000 0.193 561 E C 0.529 177.127 176.600 -0.004 0.000 0.985 561 E CA 1.375 57.770 56.400 -0.008 0.000 0.814 561 E CB 0.242 29.949 29.700 0.012 0.000 0.752 561 E HN 0.282 nan 8.360 nan 0.000 0.466 562 D N 0.150 120.542 120.400 -0.013 0.000 2.363 562 D HA 0.036 4.676 4.640 0.001 0.000 0.214 562 D C -0.646 175.597 176.300 -0.095 0.000 1.093 562 D CA 0.026 54.017 54.000 -0.016 0.000 0.837 562 D CB -0.118 40.712 40.800 0.050 0.000 0.948 562 D HN 0.193 nan 8.370 nan 0.000 0.507 563 N N 0.664 119.306 118.700 -0.098 0.000 2.650 563 N HA -0.198 4.542 4.740 0.001 0.000 0.272 563 N C -0.250 175.196 175.510 -0.106 0.000 1.058 563 N CA 0.507 53.486 53.050 -0.118 0.000 0.765 563 N CB -1.302 37.010 38.487 -0.292 0.000 0.902 563 N HN 0.400 nan 8.380 nan 0.000 0.551 564 C N -3.106 116.194 119.300 0.000 0.000 3.285 564 C HA 0.748 5.208 4.460 0.001 0.000 0.320 564 C C 1.344 176.486 174.990 0.252 0.000 1.411 564 C CA -0.732 58.353 59.018 0.112 0.000 1.429 564 C CB 1.518 29.349 27.740 0.152 0.000 1.812 564 C HN 0.513 nan 8.230 nan 0.000 0.454 565 C N 0.343 119.832 119.300 0.314 0.000 2.964 565 C HA 0.491 4.952 4.460 0.001 0.000 0.358 565 C C 0.705 175.849 174.990 0.257 0.000 1.289 565 C CA 0.590 59.804 59.018 0.327 0.000 1.856 565 C CB -0.440 27.416 27.740 0.193 0.000 2.488 565 C HN 0.952 nan 8.230 nan 0.000 0.604 566 V N 1.056 121.009 119.914 0.066 0.000 3.040 566 V HA 0.702 4.823 4.120 0.001 0.000 0.312 566 V C -0.808 174.989 176.094 -0.495 0.000 1.115 566 V CA -0.664 61.433 62.300 -0.338 0.000 0.998 566 V CB 1.579 33.303 31.823 -0.165 0.000 1.042 566 V HN 0.381 nan 8.190 nan 0.000 0.433 567 N N 0.705 118.933 118.700 -0.787 0.000 2.495 567 N HA 0.275 5.015 4.740 0.001 0.000 0.294 567 N C 0.994 176.349 175.510 -0.258 0.000 1.276 567 N CA 0.217 52.981 53.050 -0.476 0.000 0.973 567 N CB 0.196 38.371 38.487 -0.521 0.000 1.143 567 N HN 0.949 nan 8.380 nan 0.000 0.589 568 T N -4.574 109.864 114.554 -0.193 0.000 3.160 568 T HA 0.034 4.384 4.350 0.001 0.000 0.257 568 T C 0.021 174.634 174.700 -0.145 0.000 1.147 568 T CA 0.506 62.495 62.100 -0.185 0.000 1.064 568 T CB -0.407 68.347 68.868 -0.191 0.000 0.949 568 T HN 0.456 nan 8.240 nan 0.000 0.526 569 D N 1.121 121.432 120.400 -0.148 0.000 2.342 569 D HA 0.192 4.832 4.640 0.001 0.000 0.221 569 D C 0.533 176.834 176.300 0.002 0.000 1.101 569 D CA 0.052 53.994 54.000 -0.096 0.000 0.837 569 D CB 0.145 40.825 40.800 -0.199 0.000 0.938 569 D HN 0.332 nan 8.370 nan 0.000 0.508 570 S N 0.261 115.930 115.700 -0.051 0.000 3.380 570 S HA -0.259 4.212 4.470 0.001 0.000 0.300 570 S C 0.588 175.182 174.600 -0.010 0.000 1.255 570 S CA 0.482 58.691 58.200 0.015 0.000 0.963 570 S CB -1.325 61.963 63.200 0.147 0.000 1.106 570 S HN 0.473 nan 8.310 nan 0.000 0.629 571 R N 1.238 121.613 120.500 -0.208 0.000 2.308 571 R HA 0.434 4.774 4.340 0.001 0.000 0.305 571 R C -0.053 175.944 176.300 -0.505 0.000 1.053 571 R CA -0.375 55.400 56.100 -0.542 0.000 0.957 571 R CB 0.650 30.572 30.300 -0.630 0.000 1.022 571 R HN 0.134 nan 8.270 nan 0.000 0.461 572 V N 6.590 126.248 119.914 -0.427 0.000 2.493 572 V HA -0.027 4.093 4.120 0.001 0.000 0.292 572 V C 0.152 176.204 176.094 -0.070 0.000 1.016 572 V CA 0.383 62.529 62.300 -0.256 0.000 1.097 572 V CB -0.300 31.354 31.823 -0.283 0.000 0.947 572 V HN 0.564 nan 8.190 nan 0.000 0.479 573 F N 4.094 124.081 119.950 0.061 0.000 2.629 573 F HA 0.389 4.916 4.527 0.001 0.000 0.377 573 F C 1.601 177.526 175.800 0.208 0.000 1.101 573 F CA 1.601 59.661 58.000 0.100 0.000 1.301 573 F CB 0.064 39.115 39.000 0.085 0.000 1.062 573 F HN 0.768 nan 8.300 nan 0.000 0.583 574 G N 2.078 111.057 108.800 0.297 0.000 2.299 574 G HA2 -0.298 3.662 3.960 0.001 0.000 0.237 574 G HA3 -0.298 3.662 3.960 0.001 0.000 0.237 574 G C -0.078 174.758 174.900 -0.108 0.000 1.027 574 G CA -0.446 44.710 45.100 0.094 0.000 0.619 574 G HN 0.432 nan 8.290 nan 0.000 0.513 575 F N 1.469 121.442 119.950 0.038 0.000 2.415 575 F HA 0.602 5.130 4.527 0.001 0.000 0.348 575 F C 1.439 177.220 175.800 -0.032 0.000 1.119 575 F CA -0.629 57.377 58.000 0.010 0.000 1.069 575 F CB 1.748 40.752 39.000 0.007 0.000 1.124 575 F HN -0.086 nan 8.300 nan 0.000 0.472 576 K N 1.304 121.798 120.400 0.157 0.000 2.155 576 K HA -0.063 4.257 4.320 0.001 0.000 0.203 576 K C 0.721 177.520 176.600 0.333 0.000 1.052 576 K CA 1.162 57.578 56.287 0.214 0.000 0.948 576 K CB 0.034 32.671 32.500 0.228 0.000 0.728 576 K HN 0.573 nan 8.250 nan 0.000 0.448 577 N N 0.232 119.090 118.700 0.264 0.000 2.377 577 N HA 0.048 4.788 4.740 0.001 0.000 0.259 577 N C -0.936 174.656 175.510 0.136 0.000 1.332 577 N CA -0.306 52.924 53.050 0.301 0.000 0.877 577 N CB 0.199 38.907 38.487 0.369 0.000 1.299 577 N HN -0.044 nan 8.380 nan 0.000 0.501 578 L N 0.749 121.852 121.223 -0.200 0.000 2.356 578 L HA 0.702 5.043 4.340 0.001 0.000 0.277 578 L C -1.796 174.694 176.870 -0.632 0.000 0.996 578 L CA -0.659 54.040 54.840 -0.235 0.000 0.822 578 L CB 0.879 42.790 42.059 -0.247 0.000 1.256 578 L HN -0.013 nan 8.230 nan 0.000 0.413 579 F N 4.992 124.863 119.950 -0.132 0.000 2.551 579 F HA 0.671 5.198 4.527 0.001 0.000 0.316 579 F C -0.619 175.033 175.800 -0.246 0.000 1.089 579 F CA -0.739 57.164 58.000 -0.162 0.000 0.915 579 F CB 1.781 40.717 39.000 -0.107 0.000 1.186 579 F HN 0.173 nan 8.300 nan 0.000 0.456 580 L N 2.052 123.240 121.223 -0.058 0.000 2.341 580 L HA 0.875 5.215 4.340 0.001 0.000 0.278 580 L C 0.046 176.926 176.870 0.018 0.000 1.005 580 L CA -0.796 53.940 54.840 -0.173 0.000 0.818 580 L CB 1.851 43.665 42.059 -0.408 0.000 1.259 580 L HN 0.795 nan 8.230 nan 0.000 0.418 581 G N 0.507 109.327 108.800 0.034 0.000 2.482 581 G HA2 0.803 4.763 3.960 0.001 0.000 0.317 581 G HA3 0.803 4.763 3.960 0.001 0.000 0.317 581 G C -0.393 174.629 174.900 0.204 0.000 1.241 581 G CA -0.267 44.951 45.100 0.198 0.000 0.967 581 G HN 0.973 nan 8.290 nan 0.000 0.482 582 G N -1.183 107.730 108.800 0.187 0.000 2.353 582 G HA2 0.025 3.985 3.960 0.001 0.000 0.615 582 G HA3 0.025 3.985 3.960 0.001 0.000 0.615 582 G C 0.844 175.793 174.900 0.082 0.000 1.280 582 G CA 0.055 45.236 45.100 0.136 0.000 1.000 582 G HN 1.173 nan 8.290 nan 0.000 0.516 583 C N 0.684 120.011 119.300 0.046 0.000 2.419 583 C HA 0.177 4.637 4.460 0.001 0.000 0.281 583 C C 3.120 178.088 174.990 -0.038 0.000 1.336 583 C CA 1.906 60.932 59.018 0.015 0.000 1.770 583 C CB -1.416 26.370 27.740 0.077 0.000 1.929 583 C HN 1.363 nan 8.230 nan 0.000 0.509 584 G N 1.189 109.876 108.800 -0.187 0.000 2.499 584 G HA2 -0.243 3.717 3.960 0.001 0.000 0.221 584 G HA3 -0.243 3.717 3.960 0.001 0.000 0.221 584 G C 1.418 175.925 174.900 -0.655 0.000 1.109 584 G CA 0.920 45.631 45.100 -0.648 0.000 0.749 584 G HN 0.569 nan 8.290 nan 0.000 0.568 585 N N 0.263 118.789 118.700 -0.289 0.000 2.409 585 N HA 0.035 4.775 4.740 0.001 0.000 0.179 585 N C 0.898 176.408 175.510 -0.001 0.000 1.032 585 N CA 0.147 53.177 53.050 -0.033 0.000 0.898 585 N CB 0.068 38.602 38.487 0.079 0.000 0.971 585 N HN 0.312 nan 8.380 nan 0.000 0.441 586 I N 2.994 123.567 120.570 0.005 0.000 2.452 586 I HA 0.051 4.222 4.170 0.001 0.000 0.287 586 I C -1.373 174.830 176.117 0.143 0.000 1.079 586 I CA -1.001 60.333 61.300 0.058 0.000 1.387 586 I CB 1.270 39.251 38.000 -0.031 0.000 1.404 586 I HN -0.072 nan 8.210 nan 0.000 0.522 587 P HA 0.075 nan 4.420 nan 0.000 0.267 587 P C 0.172 177.560 177.300 0.147 0.000 1.289 587 P CA 0.178 63.349 63.100 0.118 0.000 0.866 587 P CB 0.316 32.049 31.700 0.054 0.000 1.309 588 T N -2.258 112.418 114.554 0.204 0.000 2.923 588 T HA 0.695 5.046 4.350 0.001 0.000 0.281 588 T C 0.144 174.978 174.700 0.222 0.000 0.995 588 T CA -0.890 61.318 62.100 0.179 0.000 0.985 588 T CB 1.217 70.168 68.868 0.139 0.000 1.114 588 T HN 0.040 nan 8.240 nan 0.000 0.548 589 A N 1.713 124.604 122.820 0.118 0.000 2.310 589 A HA 0.602 4.922 4.320 0.001 0.000 0.300 589 A C -0.633 176.934 177.584 -0.028 0.000 1.269 589 A CA -0.854 51.212 52.037 0.047 0.000 0.909 589 A CB -0.968 18.075 19.000 0.073 0.000 1.144 589 A HN 0.849 nan 8.150 nan 0.000 0.540 590 Y N -0.163 120.060 120.300 -0.128 0.000 2.499 590 Y HA 0.739 5.289 4.550 0.001 0.000 0.347 590 Y C 0.708 176.499 175.900 -0.181 0.000 0.987 590 Y CA -0.703 57.144 58.100 -0.423 0.000 1.044 590 Y CB 1.517 39.529 38.460 -0.746 0.000 1.245 590 Y HN 0.367 nan 8.280 nan 0.000 0.461 591 G N 0.714 109.444 108.800 -0.116 0.000 2.747 591 G HA2 0.390 4.350 3.960 0.001 0.000 0.202 591 G HA3 0.390 4.350 3.960 0.001 0.000 0.202 591 G C 0.480 175.464 174.900 0.140 0.000 1.090 591 G CA 0.135 45.359 45.100 0.206 0.000 0.779 591 G HN 0.968 nan 8.290 nan 0.000 0.535 592 A N 0.790 123.515 122.820 -0.158 0.000 2.429 592 A HA 0.429 4.750 4.320 0.001 0.000 0.242 592 A C -0.069 177.411 177.584 -0.174 0.000 1.088 592 A CA -0.285 51.538 52.037 -0.358 0.000 0.784 592 A CB -0.029 18.769 19.000 -0.338 0.000 1.038 592 A HN 0.368 nan 8.150 nan 0.000 0.501 593 N N 1.638 120.106 118.700 -0.386 0.000 2.475 593 N HA 0.286 5.026 4.740 0.001 0.000 0.267 593 N C -2.047 173.365 175.510 -0.164 0.000 1.169 593 N CA -1.103 51.676 53.050 -0.452 0.000 0.947 593 N CB 0.563 38.871 38.487 -0.298 0.000 1.061 593 N HN 0.391 nan 8.380 nan 0.000 0.466 594 P HA -0.019 nan 4.420 nan 0.000 0.240 594 P C 0.519 177.711 177.300 -0.180 0.000 1.190 594 P CA 0.709 63.708 63.100 -0.169 0.000 0.781 594 P CB 0.269 31.873 31.700 -0.160 0.000 0.931 595 T N 0.925 115.451 114.554 -0.047 0.000 2.720 595 T HA -0.154 4.196 4.350 0.001 0.000 0.268 595 T C 1.755 176.540 174.700 0.142 0.000 1.037 595 T CA 1.074 63.210 62.100 0.060 0.000 1.144 595 T CB -0.833 68.099 68.868 0.107 0.000 0.864 595 T HN 0.026 nan 8.240 nan 0.000 0.444 596 L N 1.009 122.329 121.223 0.162 0.000 2.046 596 L HA -0.077 4.264 4.340 0.001 0.000 0.208 596 L C 2.565 179.507 176.870 0.120 0.000 1.077 596 L CA 1.781 56.774 54.840 0.256 0.000 0.747 596 L CB -1.125 41.064 42.059 0.217 0.000 0.896 596 L HN 0.189 nan 8.230 nan 0.000 0.432 597 T N -0.338 114.154 114.554 -0.103 0.000 2.746 597 T HA -0.169 4.181 4.350 0.001 0.000 0.267 597 T C 1.897 176.507 174.700 -0.149 0.000 1.039 597 T CA 1.330 63.273 62.100 -0.262 0.000 1.142 597 T CB -0.506 67.793 68.868 -0.948 0.000 0.866 597 T HN 0.517 nan 8.240 nan 0.000 0.444 598 A N 1.366 124.103 122.820 -0.138 0.000 1.933 598 A HA -0.058 4.262 4.320 0.001 0.000 0.218 598 A C 2.302 179.853 177.584 -0.057 0.000 1.175 598 A CA 1.807 53.804 52.037 -0.066 0.000 0.628 598 A CB -0.700 18.281 19.000 -0.032 0.000 0.814 598 A HN 0.538 nan 8.150 nan 0.000 0.444 599 M N -0.351 119.222 119.600 -0.046 0.000 2.175 599 M HA -0.121 4.359 4.480 0.001 0.000 0.264 599 M C 2.095 178.303 176.300 -0.153 0.000 1.063 599 M CA 1.972 57.211 55.300 -0.101 0.000 1.119 599 M CB -0.143 32.386 32.600 -0.118 0.000 1.377 599 M HN 0.374 nan 8.290 nan 0.000 0.415 600 S N 1.284 116.899 115.700 -0.142 0.000 2.359 600 S HA -0.148 4.323 4.470 0.001 0.000 0.224 600 S C 1.772 176.193 174.600 -0.298 0.000 1.035 600 S CA 1.476 59.533 58.200 -0.239 0.000 1.018 600 S CB -0.586 62.428 63.200 -0.311 0.000 0.876 600 S HN 0.524 nan 8.310 nan 0.000 0.448 601 L N 1.047 122.128 121.223 -0.237 0.000 2.083 601 L HA -0.148 4.193 4.340 0.001 0.000 0.209 601 L C 2.798 179.540 176.870 -0.213 0.000 1.083 601 L CA 1.169 55.873 54.840 -0.228 0.000 0.752 601 L CB -0.741 41.252 42.059 -0.109 0.000 0.899 601 L HN 0.340 nan 8.230 nan 0.000 0.433 602 A N 0.302 122.991 122.820 -0.220 0.000 1.933 602 A HA -0.175 4.145 4.320 0.001 0.000 0.218 602 A C 2.199 179.475 177.584 -0.514 0.000 1.175 602 A CA 1.433 53.228 52.037 -0.403 0.000 0.628 602 A CB -0.592 18.166 19.000 -0.404 0.000 0.814 602 A HN 0.352 nan 8.150 nan 0.000 0.444 603 I N -0.634 119.725 120.570 -0.351 0.000 2.226 603 I HA -0.264 3.906 4.170 0.001 0.000 0.245 603 I C 2.534 178.497 176.117 -0.257 0.000 1.100 603 I CA 1.839 62.971 61.300 -0.281 0.000 1.374 603 I CB -0.218 37.641 38.000 -0.234 0.000 1.057 603 I HN 0.365 nan 8.210 nan 0.000 0.413 604 K N 0.466 120.711 120.400 -0.258 0.000 2.057 604 K HA -0.220 4.100 4.320 0.001 0.000 0.207 604 K C 2.362 178.880 176.600 -0.136 0.000 1.049 604 K CA 1.772 57.937 56.287 -0.204 0.000 0.931 604 K CB -0.120 32.227 32.500 -0.253 0.000 0.714 604 K HN 0.126 nan 8.250 nan 0.000 0.440 605 S N -0.088 115.515 115.700 -0.162 0.000 2.368 605 S HA -0.165 4.305 4.470 0.001 0.000 0.225 605 S C 2.005 176.518 174.600 -0.145 0.000 1.030 605 S CA 1.481 59.630 58.200 -0.085 0.000 0.999 605 S CB -0.434 62.752 63.200 -0.024 0.000 0.844 605 S HN 0.569 nan 8.310 nan 0.000 0.459 606 C N 1.566 120.695 119.300 -0.285 0.000 2.432 606 C HA 0.070 4.531 4.460 0.001 0.000 0.280 606 C C 2.447 177.365 174.990 -0.120 0.000 1.353 606 C CA 0.396 59.267 59.018 -0.246 0.000 1.766 606 C CB -1.424 26.128 27.740 -0.314 0.000 1.924 606 C HN 0.676 nan 8.230 nan 0.000 0.509 607 E N -0.269 119.882 120.200 -0.082 0.000 2.077 607 E HA -0.259 4.092 4.350 0.001 0.000 0.193 607 E C 1.825 178.437 176.600 0.021 0.000 0.989 607 E CA 1.485 57.868 56.400 -0.030 0.000 0.800 607 E CB -0.331 29.346 29.700 -0.037 0.000 0.746 607 E HN 0.819 nan 8.360 nan 0.000 0.452 608 Y N 1.527 121.804 120.300 -0.039 0.000 2.097 608 Y HA -0.251 4.299 4.550 0.001 0.000 0.282 608 Y C 2.051 177.991 175.900 0.067 0.000 1.152 608 Y CA 1.611 59.730 58.100 0.032 0.000 1.136 608 Y CB -0.161 38.357 38.460 0.097 0.000 0.975 608 Y HN -0.063 nan 8.280 nan 0.000 0.498 609 I N 0.404 121.020 120.570 0.078 0.000 2.118 609 I HA -0.389 3.782 4.170 0.001 0.000 0.241 609 I C 2.303 178.485 176.117 0.108 0.000 1.070 609 I CA 1.945 63.274 61.300 0.049 0.000 1.327 609 I CB -0.502 37.323 38.000 -0.292 0.000 1.034 609 I HN 0.187 nan 8.210 nan 0.000 0.405 610 K N 0.290 120.724 120.400 0.056 0.000 2.211 610 K HA -0.225 4.095 4.320 0.001 0.000 0.204 610 K C 2.006 178.651 176.600 0.075 0.000 1.047 610 K CA 1.304 57.685 56.287 0.157 0.000 0.935 610 K CB -0.136 32.425 32.500 0.102 0.000 0.728 610 K HN 0.467 nan 8.250 nan 0.000 0.452 611 Q N -0.485 119.291 119.800 -0.040 0.000 2.408 611 Q HA 0.079 4.420 4.340 0.001 0.000 0.205 611 Q C 0.965 176.847 176.000 -0.198 0.000 0.919 611 Q CA 0.453 56.189 55.803 -0.113 0.000 0.932 611 Q CB 0.531 29.185 28.738 -0.141 0.000 1.058 611 Q HN 0.270 nan 8.270 nan 0.000 0.517 612 N N -1.038 117.512 118.700 -0.249 0.000 2.145 612 N HA 0.145 4.885 4.740 0.001 0.000 0.219 612 N C -0.989 174.145 175.510 -0.625 0.000 1.266 612 N CA 0.253 53.025 53.050 -0.464 0.000 0.902 612 N CB 1.087 39.118 38.487 -0.759 0.000 1.078 612 N HN -0.001 nan 8.380 nan 0.000 0.513 613 F N 0.742 120.714 119.950 0.036 0.000 2.547 613 F HA 0.328 4.855 4.527 0.001 0.000 0.316 613 F C 0.129 176.046 175.800 0.195 0.000 1.121 613 F CA -0.674 57.407 58.000 0.135 0.000 0.911 613 F CB 1.778 40.877 39.000 0.166 0.000 1.179 613 F HN -0.369 nan 8.300 nan 0.000 0.443 614 T N 4.111 118.812 114.554 0.246 0.000 2.806 614 T HA 0.406 4.757 4.350 0.001 0.000 0.290 614 T C -2.497 172.213 174.700 0.017 0.000 0.966 614 T CA -1.348 60.800 62.100 0.080 0.000 1.060 614 T CB 1.003 69.888 68.868 0.029 0.000 0.927 614 T HN 0.141 nan 8.240 nan 0.000 0.485 615 P HA 0.205 nan 4.420 nan 0.000 0.271 615 P C -0.023 177.208 177.300 -0.115 0.000 1.218 615 P CA -0.561 62.325 63.100 -0.357 0.000 0.780 615 P CB 0.387 31.720 31.700 -0.611 0.000 0.901 616 S N 2.824 118.497 115.700 -0.046 0.000 2.589 616 S HA 0.362 4.833 4.470 0.001 0.000 0.265 616 S C -2.047 172.544 174.600 -0.015 0.000 1.342 616 S CA -0.826 57.365 58.200 -0.016 0.000 1.005 616 S CB -0.703 62.493 63.200 -0.007 0.000 0.909 616 S HN 0.311 nan 8.310 nan 0.000 0.555 617 P HA 0.332 nan 4.420 nan 0.000 0.277 617 P C -0.668 176.703 177.300 0.118 0.000 1.240 617 P CA -0.571 62.563 63.100 0.057 0.000 0.798 617 P CB 0.316 32.044 31.700 0.046 0.000 0.979 618 F N 0.000 119.938 119.950 -0.020 0.000 2.286 618 F HA 0.000 4.527 4.527 0.000 0.000 0.279 618 F CA 0.000 57.992 58.000 -0.012 0.000 1.383 618 F CB 0.000 38.993 39.000 -0.011 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574